#DEFINITION	Reference Metabolome for Wisteria sinensis
#IDENTTFIER	RefMeta-Wisteria sinensis.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Wisteria sinensis
#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 Wisteria sinensis 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	999.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
70.59841	1.0
70.60189	0.3
71.01251	11.8
72.99165	1.0
73.02819	1.5
75.00764	0.3
77.40418	0.3
78.95769	1.0
79.95610	2.2
81.03335	0.7
83.01248	1.1
83.04893	1.0
84.02036	1.6
85.02812	2.9
87.00746	2.4
89.02309	9.3
95.01255	0.8
95.04904	0.4
96.95882	41.2
97.02826	2.8
97.06454	5.2
99.00765	0.5
99.04405	0.5
101.02319	9.1
111.04406	0.6
113.02319	4.7
119.03377	2.6
123.04459	0.3
125.02333	3.8
125.09563	1.3
131.03357	0.4
137.09604	0.5
143.03360	1.3
149.13202	0.4
150.94154	0.3
161.04469	1.6
163.11154	0.4
165.12663	0.5
171.10182	7.2
175.11136	0.6
176.35428	0.3
179.05513	2.5
183.13792	0.9
185.11716	0.6
193.12262	9.0
194.12607	0.4
199.60172	0.3
203.10620	0.4
209.11670	0.5
211.13354	2.7
221.06578	1.1
221.11749	0.6
225.14890	12.7
226.15395	0.4
233.38467	0.3
235.08214	3.2
243.15944	5.7
253.09343	0.9
253.14479	1.1
277.21701	26.3
278.22086	1.8
287.07642	0.8
291.19543	1.2
291.22897	0.4
294.55881	0.3
305.08813	1.3
305.21106	0.5
319.22397	0.4
323.09708	0.7
323.22192	1.1
341.23279	100.0
342.23648	6.3
379.12411	1.7
383.24615	0.5
397.13446	31.5
398.13736	1.1
415.14554	10.7
416.14722	0.5
523.59375	0.4
601.44586	2.3
675.36139	2.4
721.36224	2.5
739.37244	2.3
740.37262	0.4
852.44745	0.4
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
69.75094	0.9
69.75510	0.5
70.91341	0.2
71.01257	11.0
72.99169	1.2
73.02828	1.6
74.28836	0.2
79.95606	0.2
80.02554	0.4
81.03355	0.6
83.01273	0.8
83.04879	0.4
85.02829	2.7
86.22251	0.2
87.00761	2.5
87.04371	0.2
89.02322	8.2
93.03355	0.3
95.01261	0.9
96.95892	3.7
97.02831	3.0
97.06481	0.4
99.00755	0.6
101.02326	8.2
105.39926	0.2
109.06467	0.7
109.87766	0.2
111.00761	0.5
111.04389	0.3
111.07278	0.5
111.08043	9.2
113.01605	0.4
113.02333	4.6
115.03874	0.2
119.03411	2.4
121.02786	0.2
125.02335	2.9
125.09592	0.4
127.07544	0.9
131.03409	0.3
137.09622	0.6
141.01758	0.3
141.09056	0.2
143.03419	1.4
151.11183	1.2
153.09114	0.4
153.12798	1.2
161.04471	1.7
163.11192	0.5
165.12764	1.6
167.10721	0.4
169.12263	4.1
171.10245	1.6
179.05568	2.7
179.10637	0.5
181.12320	1.5
183.13795	1.4
185.11797	0.3
193.12260	0.7
193.15884	0.3
197.11769	44.0
198.12138	1.4
199.13335	2.4
209.11717	0.9
211.13342	6.6
212.13673	0.4
221.06589	0.8
223.13361	0.4
227.12878	1.7
229.19377	0.3
235.08246	2.9
247.20589	1.3
253.09271	0.7
263.07727	0.5
263.20114	3.7
265.18011	1.4
265.49817	0.2
273.18484	1.5
287.07703	0.8
289.18097	0.3
291.19662	20.7
292.20132	1.1
293.76468	0.2
305.08673	0.9
309.20712	100.0
310.21039	6.2
323.09933	0.4
327.21570	0.5
333.20645	0.5
379.12302	0.7
397.13519	20.2
398.13843	1.2
415.14578	14.7
416.14816	0.9
577.24939	0.5
595.26282	0.4
601.41040	2.2
689.33954	1.7
707.34882	4.2
708.35498	0.5
856.93774	0.3
934.33563	0.2
999.55249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58350	1.3
70.50094	0.2
71.01254	11.9
71.04899	0.2
72.99172	1.3
73.02818	2.1
75.00755	0.4
78.95777	0.5
80.02563	0.3
81.03340	0.7
83.01247	1.4
83.04910	0.9
85.02821	2.7
87.00755	3.1
89.02316	10.4
93.03340	0.2
94.92400	0.3
95.01228	1.2
95.04910	0.4
96.95882	3.6
96.96845	0.3
97.02834	4.0
97.06477	0.6
99.00764	0.7
99.08092	0.2
101.02318	8.7
101.93279	0.2
109.02888	0.3
109.06489	0.5
111.00793	0.4
111.04404	0.3
111.08040	8.4
112.08379	0.3
113.02331	5.0
119.03388	2.5
119.04774	0.2
119.08559	0.3
123.08067	0.3
124.73666	0.3
125.02327	3.3
125.09620	0.6
126.02791	0.2
127.03917	0.3
127.07529	0.5
127.11166	0.2
131.03380	0.7
133.04951	0.2
137.02286	0.2
137.09575	0.6
139.11134	0.2
141.01840	0.3
141.09100	0.3
143.03404	1.8
149.04477	0.4
151.11205	0.9
153.09103	0.4
153.12753	0.8
161.04474	2.1
163.11197	1.1
165.12788	2.2
167.10727	0.3
169.12257	4.0
171.10207	2.4
179.05548	3.2
179.10600	0.3
179.14343	0.3
181.12196	1.4
183.13843	0.9
185.11717	0.4
193.12282	0.7
193.15889	0.3
197.11760	42.1
198.12033	1.7
199.06061	0.2
199.13322	2.5
207.10268	0.3
209.11714	1.5
209.15248	0.2
211.13324	6.4
212.13739	0.3
217.07111	0.3
219.04999	0.3
221.04597	0.2
221.06493	1.0
223.13290	0.5
225.11349	0.3
225.14822	0.2
227.12852	2.5
229.19545	0.2
230.13571	0.2
235.08192	3.3
247.20599	1.9
253.09222	1.1
263.07831	0.2
263.20102	2.3
265.18073	1.2
273.18619	1.3
287.07666	0.8
291.19659	24.7
292.19992	1.6
293.21179	0.2
305.08691	0.9
309.20691	100.0
310.21051	6.5
323.09814	0.6
325.20374	0.3
327.21811	0.3
333.20691	0.4
351.21695	0.4
379.12381	1.3
397.13474	23.8
398.13828	1.7
415.14532	13.6
415.18909	0.2
415.93063	0.3
416.14944	0.8
595.25616	0.3
601.41327	1.8
689.33868	2.5
690.34137	0.5
707.34839	3.9
708.35193	0.8
841.60870	0.2
999.55176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70988	0.6
71.01244	19.1
72.99170	2.0
73.02796	1.8
83.01226	2.7
83.04884	1.1
85.02827	3.5
87.00729	3.6
89.02309	15.6
93.03325	0.9
95.01260	1.5
95.04893	1.7
96.95887	3.6
97.02840	2.9
99.00748	1.7
99.92480	0.6
101.02313	12.8
111.00768	0.6
111.08026	10.8
112.08319	0.7
113.02316	7.8
113.09624	0.8
116.92744	6.1
119.03373	4.7
125.02316	3.6
127.07571	0.6
131.03371	1.1
137.09602	1.0
139.03877	0.9
141.09048	0.6
143.03368	2.3
144.63315	0.6
161.04471	2.8
161.82346	0.6
167.10652	2.0
171.10161	1.1
177.12706	2.4
179.04109	0.7
179.05481	3.8
179.10693	1.5
195.13785	9.0
197.11626	1.0
221.06595	1.9
223.13368	1.3
235.08151	3.0
245.18976	1.3
247.20589	2.1
253.09229	0.9
263.07599	1.0
273.18466	1.7
275.20111	2.0
277.21524	1.0
289.18088	5.1
291.19626	100.0
292.19925	5.8
293.21207	10.6
294.21484	1.3
307.19064	6.8
309.20645	1.0
323.18484	0.7
379.12399	1.0
390.01895	0.5
397.13486	12.2
415.14468	6.3
487.10178	0.5
555.28308	1.3
598.01019	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5529
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	34.5
71.04894	1.4
71.57414	2.1
72.99171	2.7
73.02831	4.0
79.27657	1.1
79.64673	1.3
79.95614	1.4
81.03329	1.7
83.01270	3.8
83.04865	2.8
85.02824	6.9
87.00760	8.5
89.02317	23.7
95.01251	2.3
95.04887	2.4
96.95888	45.6
97.02840	8.0
97.06480	2.3
101.02322	24.4
104.68107	1.2
111.08032	13.4
113.02338	13.7
116.92752	2.1
119.03389	7.1
121.06422	1.6
125.02381	9.4
125.09586	3.7
131.03387	2.6
135.02852	1.5
137.09662	3.2
139.03926	1.4
141.90244	1.2
143.03412	3.6
143.48238	1.3
151.11223	2.0
161.04483	7.0
163.11197	1.8
165.12720	3.0
166.02161	1.3
167.10646	2.1
169.12263	4.2
171.10152	6.3
177.12679	1.4
179.05528	8.0
181.12289	2.3
185.11711	3.7
191.14299	1.7
195.13841	7.8
197.11768	37.9
198.11978	1.6
209.11751	8.9
211.13310	6.7
221.06624	3.7
223.13335	3.4
227.12889	6.3
229.06728	1.2
235.08263	6.0
245.19096	3.8
247.20610	1.4
250.99374	1.4
253.09186	1.6
256.78137	1.5
263.07901	1.5
263.20129	3.3
265.18066	1.6
273.18503	3.2
275.20184	4.0
277.09238	1.3
277.21753	3.5
279.23425	1.6
287.07718	1.7
289.18076	17.3
291.19666	100.0
292.20010	5.2
293.21201	31.4
294.21484	2.1
304.07858	1.3
305.08737	2.0
307.19144	16.6
308.19629	3.2
309.20697	64.8
310.21008	4.7
311.22034	2.1
323.09631	1.6
341.19449	1.7
377.88055	1.5
379.12411	2.7
397.13477	40.0
398.13797	3.4
415.14627	21.7
583.40253	1.5
607.25134	1.7
707.34760	1.9
790.33105	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	999.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85873	2.2
71.01250	7.3
72.99155	1.0
73.02821	1.5
75.00736	1.1
83.01263	1.0
85.02805	4.5
87.00735	1.2
89.02317	3.6
93.03326	2.1
95.01266	1.0
96.95885	13.1
97.54032	0.9
99.00721	1.1
101.02311	3.8
108.02031	1.2
109.02827	2.3
113.02310	3.7
114.69792	0.8
116.75876	0.8
116.92764	1.4
117.03354	0.9
119.03368	0.9
119.04889	0.9
120.08064	1.3
121.02824	2.7
122.06016	6.1
124.01550	1.0
125.02312	2.5
132.02048	1.0
133.02808	1.5
134.03619	2.3
134.05984	2.7
135.04337	1.3
136.07533	1.0
137.02338	2.6
141.04097	3.3
145.02841	1.2
146.05930	1.1
149.02348	5.9
150.03099	1.8
151.00250	1.1
151.03856	0.8
152.01047	2.3
152.08321	1.1
153.01816	2.8
153.09088	2.3
160.01480	2.2
161.02307	1.8
161.04393	1.2
163.03935	1.6
163.11203	1.6
164.04689	2.6
165.01845	1.5
165.05417	1.8
168.00581	1.0
173.04422	0.9
174.53583	0.7
175.00259	1.5
175.03868	2.9
177.01804	1.0
179.03401	1.1
180.04234	1.0
181.04945	1.5
183.13658	1.0
190.02678	2.3
191.05493	1.0
193.04930	2.0
195.06496	1.9
205.04932	2.1
205.12245	2.2
213.10254	1.4
215.11794	2.8
218.88367	0.9
223.06055	5.2
223.08510	1.9
236.09517	1.5
237.10278	3.7
239.11760	1.5
250.07422	1.6
251.08197	2.7
251.11935	1.9
263.08203	2.6
264.08929	4.9
265.09863	5.1
267.07495	0.9
269.04495	2.4
277.09805	2.3
278.10529	2.3
279.11490	1.8
280.15018	1.1
283.10739	1.3
285.04056	3.0
285.12415	1.0
287.14133	1.7
291.11322	1.4
293.12912	2.2
297.12521	1.3
303.09595	1.2
304.08710	1.0
304.14447	0.9
319.10828	2.4
325.11646	0.9
328.10611	1.8
342.12460	2.7
343.13266	2.6
344.13861	2.9
345.14810	1.2
346.15408	1.1
351.13223	1.6
356.14035	0.9
358.15601	4.0
359.16403	1.0
360.16940	1.5
370.11676	4.2
371.12363	1.9
372.13419	8.1
372.17123	1.4
373.13589	1.1
383.12219	1.1
384.13327	2.7
385.14130	3.6
386.15137	10.6
387.15521	2.6
396.16852	0.9
398.14938	4.1
399.15710	2.7
400.16608	5.8
412.16522	1.7
413.17285	2.3
414.18164	5.1
415.18933	1.8
418.17770	7.1
426.14572	7.2
433.16217	1.1
440.16278	1.4
441.16763	2.6
458.17374	1.7
459.18304	1.7
472.18799	2.0
473.19620	10.6
474.19989	2.5
490.19867	1.5
505.18460	2.7
509.21573	1.3
537.24377	1.4
539.22595	1.1
551.22919	1.1
559.25311	1.9
563.22888	2.9
581.24298	6.1
583.26276	1.7
595.25641	7.8
613.26636	100.0
614.26910	8.4
631.27563	3.3
655.32068	2.7
967.40863	2.8
981.44434	2.2
999.46332	25.1
1000.46320	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	997.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	4.2
70.88061	1.3
71.01256	32.8
72.99174	3.7
73.02821	4.7
75.00739	0.8
80.02541	0.6
81.03329	4.3
83.01250	5.9
83.04900	3.1
83.05385	0.7
85.02819	7.8
87.00756	7.7
89.02313	24.7
90.52294	0.8
92.92683	1.0
93.03339	2.1
95.01261	3.2
95.04912	2.9
96.95892	7.8
97.02834	9.3
97.06467	5.1
99.00738	2.0
99.04375	0.9
101.02324	25.2
101.50055	0.7
106.04132	1.2
107.04910	1.9
109.02822	2.1
109.06490	3.1
111.00754	1.0
111.04410	1.2
111.07353	1.3
111.08050	10.3
113.02330	13.9
119.03415	6.4
119.08544	1.3
120.52841	0.6
121.02791	1.4
121.06542	1.1
121.10104	0.9
123.04381	3.7
123.08050	1.9
125.02345	8.4
125.09629	7.6
127.03898	1.0
127.07553	0.9
131.03404	1.3
135.08057	1.5
137.09616	5.0
139.03909	1.3
141.01819	1.5
141.12740	1.1
143.03406	4.8
145.04933	0.7
145.06593	0.7
149.06024	1.5
149.09576	0.8
151.11157	1.5
153.12749	1.0
161.04488	6.2
161.09579	1.0
163.07542	1.1
163.11191	8.2
165.12769	4.5
169.12210	5.0
171.10139	3.8
175.11226	1.8
177.12773	2.5
179.05515	7.4
179.10710	1.7
181.12178	3.5
183.13762	1.5
185.11760	5.6
191.14360	6.7
193.12227	1.4
195.13864	4.7
197.11763	49.4
198.12010	0.9
199.13324	2.1
205.12181	0.8
207.10179	4.2
209.11775	16.9
209.15701	1.1
210.12337	0.8
211.13318	11.4
217.15898	1.6
221.06572	3.7
221.11913	1.6
223.13307	2.6
225.11324	3.5
227.12848	4.9
229.12346	0.8
235.08185	7.8
235.13344	2.2
236.67188	0.9
237.11298	2.8
237.14932	1.8
243.17471	1.0
245.19083	13.5
247.13286	4.2
247.20633	2.2
253.09258	2.2
253.14604	0.7
261.18500	1.6
263.07748	1.4
263.20120	5.6
265.14481	2.4
265.18082	1.3
271.17029	1.8
273.18567	1.4
275.20166	1.6
279.19583	0.8
281.21088	1.3
287.07642	1.7
287.16486	1.6
289.18091	66.1
290.18478	2.8
291.19662	35.3
292.20020	2.2
293.21265	20.2
305.08795	1.7
305.17529	7.6
307.19153	69.8
308.19452	3.5
309.20709	100.0
310.21011	3.1
323.09756	1.0
325.20279	1.1
331.19031	0.8
379.12311	4.0
397.13507	50.4
398.13928	1.9
415.14578	22.9
521.56622	0.7
607.26038	1.5
687.32373	2.8
689.34100	1.0
705.33368	3.5
707.34979	1.9
789.60364	0.8
899.44873	1.3
939.49689	3.9
979.52997	2.4
997.54559	4.6
998.54095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01235	0.2
83.01254	0.7
91.01779	0.2
93.03333	0.2
95.01247	0.3
98.19741	0.5
107.01269	2.1
108.02050	1.3
109.02844	1.1
119.01287	0.3
121.02824	1.3
122.39357	0.2
123.04492	0.2
124.01524	0.3
135.00774	0.6
136.32278	0.2
137.02341	0.4
148.01579	1.0
149.02328	0.3
151.00272	8.4
152.00868	0.3
153.01855	0.4
159.04375	0.3
161.02376	0.2
163.00272	2.1
164.01013	0.4
165.01747	0.2
169.01314	0.8
175.03938	0.3
178.99768	4.1
183.04408	0.4
187.03951	0.5
190.99750	0.2
191.05574	0.3
192.00510	0.4
193.01315	0.3
198.03206	0.2
199.03947	0.7
201.05490	0.5
203.03374	0.3
211.03944	1.2
213.01814	0.2
215.03421	0.7
216.04176	0.4
226.02705	0.7
227.03426	2.5
229.05020	0.5
230.71712	0.3
239.03516	0.4
243.02936	9.3
243.65297	0.2
244.03502	0.5
245.04553	1.0
254.02132	1.6
255.02951	22.3
256.03455	1.2
269.04465	0.3
271.02460	47.5
272.02948	3.2
273.04102	0.9
283.02377	1.0
284.03256	1.8
285.03989	2.7
286.04242	0.4
299.01968	1.6
300.02725	77.9
301.03455	27.8
302.03827	1.4
343.04446	0.2
447.09161	2.4
448.09439	0.3
463.08728	1.7
504.08884	0.3
505.09845	100.0
506.10168	7.2
894.41718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	2.9
70.31438	0.7
71.01250	19.2
71.58044	1.0
72.99182	1.9
73.02817	2.7
79.95611	0.8
81.03319	2.4
82.47457	0.6
83.01266	3.2
83.04910	1.1
85.02823	4.9
87.00746	4.4
89.01752	0.9
89.02314	18.0
94.92337	0.7
95.01268	2.3
95.04892	1.7
96.95900	5.6
97.02831	6.2
97.06473	3.7
99.00725	1.0
101.02313	14.8
102.65068	0.7
108.75154	0.7
109.02827	0.9
109.06467	1.9
111.08032	9.8
112.08371	0.7
113.02328	9.3
119.03392	5.0
123.04391	2.2
123.08072	1.3
125.02345	5.5
125.09607	4.0
127.07549	1.4
131.03433	0.8
132.70308	0.7
137.09625	2.9
141.01790	0.8
141.09154	0.8
143.03398	2.7
149.05933	0.8
150.27371	0.6
151.11215	1.7
153.09177	1.2
153.12785	1.2
154.68398	0.8
161.04480	4.2
161.05739	0.8
161.09621	1.0
163.11168	4.9
165.12746	2.9
167.10696	0.9
169.12244	5.4
171.10152	0.7
177.12727	0.7
179.05511	4.8
179.10696	1.0
181.12151	3.3
183.13828	2.1
185.11766	3.9
191.10635	0.9
191.14362	5.2
193.12244	1.4
194.49551	0.6
197.11765	52.8
198.12074	1.6
199.13313	2.8
207.10197	3.0
209.11761	12.9
211.13356	9.4
221.06636	2.5
225.11273	2.1
227.12877	3.7
235.08205	5.4
237.11304	3.0
245.16646	1.2
245.19040	10.0
253.09227	1.9
263.07779	1.0
263.20120	6.8
265.18073	1.8
271.16998	1.6
277.21765	0.8
281.21237	1.5
287.07614	1.1
289.18103	45.4
290.18430	2.0
291.19650	20.5
293.21338	1.3
305.08713	1.0
307.19144	45.9
308.19492	1.9
309.20706	100.0
310.21063	5.0
323.09790	1.2
333.75116	0.7
379.12531	1.8
397.13504	37.8
398.13861	2.6
415.14600	18.5
415.19928	1.4
416.14838	1.1
539.60065	0.9
607.26135	3.5
687.32208	2.1
689.34253	1.4
705.33600	3.2
707.34906	1.8
757.54608	0.8
899.46454	2.4
969.07642	0.7
997.53851	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	995.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	3.7
71.01250	4.9
71.59673	0.8
72.99184	0.6
73.02828	1.0
75.00775	0.7
75.85381	0.4
79.95615	0.6
81.03326	1.4
83.01266	1.4
85.02817	4.6
87.00745	1.4
89.02333	1.1
91.01783	6.6
93.03331	3.0
95.01254	3.2
95.04984	0.6
96.95885	4.9
97.02820	2.5
99.00755	1.5
101.02333	2.2
107.04918	1.5
108.02055	63.7
109.02852	26.3
110.03207	0.7
113.02308	2.4
116.92783	0.7
119.01301	1.5
119.04914	0.7
121.02838	5.7
123.00789	2.5
123.04415	1.5
125.02335	6.8
127.00241	1.1
132.02077	1.1
133.02870	3.5
134.03645	2.1
135.00784	9.8
135.04417	2.4
137.02351	2.3
137.06042	0.5
141.04123	0.7
145.02832	0.6
147.00818	2.2
147.04419	1.7
148.01514	0.7
149.02354	26.1
150.03171	3.7
151.00293	3.9
151.03900	1.9
152.01062	100.0
153.01845	50.2
153.03671	0.8
154.02182	1.1
160.01523	1.2
161.02365	1.4
161.04471	1.1
162.03120	0.7
163.03912	3.0
164.04709	18.1
165.01851	1.9
165.05389	2.3
166.02679	0.7
167.03413	1.8
168.00552	0.5
175.00301	11.1
175.02377	1.3
175.03920	2.2
176.01082	9.7
177.01863	35.2
178.02341	1.5
179.03404	1.7
179.07080	2.1
181.04947	0.9
183.13908	0.8
189.01860	0.6
190.02647	33.0
191.03438	17.7
191.05359	1.2
193.01375	1.4
193.05029	1.7
194.02110	0.6
194.05298	0.6
205.05014	31.5
206.05420	1.7
208.03781	1.7
209.04503	3.2
217.01494	0.5
220.04869	0.7
223.06078	22.2
224.06389	1.3
227.12566	0.7
243.03143	0.6
243.06558	1.9
247.06134	0.7
273.07819	0.8
284.03262	1.1
285.04031	4.1
297.06152	7.7
315.07202	6.2
321.06232	1.1
331.06613	1.4
338.06390	1.0
339.07101	1.0
352.07925	1.1
353.08798	5.6
367.10443	3.2
375.38913	0.5
383.07379	0.7
409.11465	1.1
485.22046	0.6
501.14075	0.7
515.08362	1.4
521.13000	86.7
522.13275	7.1
545.12927	14.7
546.13391	1.0
563.14166	4.9
573.85760	0.6
589.11981	91.2
590.12274	9.5
591.23596	0.6
591.35284	0.5
673.14349	1.7
751.17328	1.1
842.01672	0.6
877.41315	0.8
887.18640	1.4
963.43225	0.7
995.23383	4.4
995.43591	1.2
996.24725	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	991.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	2.8
71.01249	5.4
71.59546	0.6
71.59936	0.7
72.99248	0.7
73.02878	1.6
75.00787	0.8
79.95647	0.6
81.03383	0.6
83.01318	2.1
85.02819	3.7
86.87928	0.5
87.00825	1.6
88.98743	0.6
89.02370	2.1
91.01737	2.9
93.03361	3.1
95.01244	3.3
96.95896	6.8
97.02828	2.7
99.00816	1.6
99.04452	0.7
101.02320	3.2
108.02049	9.9
109.02836	13.8
111.00836	1.0
113.02360	3.1
117.03399	0.9
119.03432	0.8
119.04980	1.6
121.02850	2.8
122.03703	0.5
123.00774	6.9
123.01507	0.6
123.04503	1.9
124.01561	11.8
125.02339	45.2
126.02769	0.8
127.00301	0.8
132.02153	1.1
133.02899	2.1
134.03673	2.6
135.00772	7.0
135.04462	1.9
136.01585	0.6
137.02327	4.8
139.00284	1.1
139.03973	1.0
141.04160	1.5
145.02910	1.0
147.04510	1.1
149.02351	8.4
149.06087	0.8
149.99489	23.3
150.03148	2.3
151.00276	4.2
151.03973	1.7
151.25557	0.6
152.01064	11.1
153.01845	13.2
160.01566	2.7
161.02390	1.6
161.04565	1.3
161.05972	0.7
163.04010	2.2
164.04675	4.8
165.01903	1.9
165.05521	1.9
166.02733	0.9
167.03442	2.0
168.00558	52.6
169.01343	7.0
173.04596	0.5
175.00407	1.6
175.02487	1.2
175.03998	2.6
176.01115	0.7
176.04559	0.6
177.01884	3.7
177.05470	1.2
178.02649	0.5
179.03462	1.3
179.07066	0.6
181.01471	0.8
181.05087	0.9
186.66095	0.5
190.02655	4.3
191.03438	0.8
191.05563	0.8
192.00638	0.8
193.01343	1.0
193.04979	3.2
195.06531	1.6
205.05013	3.4
209.11679	0.7
223.06097	4.1
225.07816	0.5
243.06636	0.8
248.71313	0.5
267.06912	0.6
281.08859	0.6
284.03287	0.7
285.04047	4.0
299.05615	0.9
313.05640	8.0
315.07242	10.3
316.07593	0.6
331.06702	100.0
332.07156	2.9
339.07327	3.4
383.06198	2.0
399.05670	21.7
400.06006	0.9
401.07101	1.3
429.05115	0.7
429.10413	9.5
453.17468	1.1
471.11609	3.0
479.64780	0.6
489.12228	0.9
497.08972	0.7
605.14172	0.9
647.15784	2.4
654.22009	0.7
685.21973	1.7
785.23553	0.6
883.26355	0.6
967.91309	0.6
991.29974	20.7
992.31024	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	991.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03332	0.6
71.01243	2.0
71.12236	0.3
71.13599	0.7
72.99149	0.4
73.02815	0.4
73.44804	0.3
75.00757	0.3
83.01242	0.9
85.02818	1.5
87.00751	0.5
88.98695	0.4
89.02300	1.0
91.01788	0.7
93.03322	0.9
95.01250	0.6
96.95890	2.3
99.00742	0.5
101.02314	1.1
107.01252	1.4
107.04893	0.4
108.02045	1.2
109.02830	2.1
111.00770	0.4
113.02318	1.2
113.46886	0.3
116.92735	0.3
119.04868	0.4
121.02821	1.9
121.03539	0.3
123.00766	0.4
123.04398	0.4
124.01489	0.4
125.02358	2.1
132.02020	0.5
133.02837	4.3
134.03624	1.6
135.00771	1.0
135.04350	0.8
137.02333	1.4
141.04063	0.5
149.02319	3.7
149.06073	0.5
149.99477	0.5
150.03015	0.3
150.99100	0.5
151.00249	3.3
151.03908	0.7
152.01041	1.2
153.01857	2.1
160.01553	0.9
163.03868	0.7
164.04697	1.5
165.01842	0.4
165.05446	0.8
167.03336	0.5
168.00557	1.2
169.01312	0.7
171.04370	0.4
175.00330	0.8
175.02498	0.6
175.03880	2.4
177.01826	0.7
178.02646	0.5
183.04353	0.3
183.13847	0.4
190.02654	1.3
191.03412	0.4
193.04971	1.3
197.05991	0.5
199.03888	1.4
201.01817	0.8
205.04961	1.4
206.99881	0.4
209.11751	0.7
211.04025	0.4
213.05380	0.4
215.03293	0.3
217.05016	0.9
223.06065	2.0
227.03452	0.7
241.04936	0.8
243.02849	0.5
243.06638	0.7
243.47833	0.3
255.02870	0.4
256.03668	1.0
257.04407	0.4
267.03104	0.8
267.06998	0.4
269.04559	0.5
283.02475	0.4
284.03256	19.5
285.04016	100.0
286.04358	4.5
299.05710	0.4
309.03940	1.2
315.07214	0.6
327.04913	0.7
331.06720	1.3
337.09619	0.4
353.03061	0.9
399.05603	0.4
429.10236	1.2
447.09268	22.7
448.09708	1.5
471.09238	1.4
496.20987	0.3
515.08258	66.5
516.08533	5.3
529.95410	0.4
537.15894	0.5
597.22937	0.4
721.13684	0.7
822.35602	0.4
991.42896	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99700	0.2
69.03336	1.5
71.01249	9.7
71.04884	0.2
72.99177	0.8
73.02811	1.6
81.03305	0.3
83.01260	1.1
83.04897	0.6
84.02034	0.3
85.02814	8.7
87.00742	2.0
89.02306	7.7
93.03362	0.2
95.01257	0.8
95.04884	0.5
96.95869	0.8
97.02824	2.5
97.06445	1.7
99.00757	0.6
101.02311	7.2
109.02832	0.2
111.04385	0.3
113.02322	4.8
119.03381	2.1
119.08529	0.3
121.02788	0.2
123.08025	0.3
125.02328	3.8
125.09593	1.3
127.11199	1.2
131.03387	0.5
135.08034	0.3
137.09610	2.5
138.56409	0.2
139.03923	0.2
143.03413	1.5
153.09068	0.2
155.10641	0.6
155.14339	0.3
161.04466	2.0
163.11230	0.2
165.12791	0.5
167.03249	0.2
167.14282	0.5
169.12212	0.2
171.10165	23.3
172.10504	0.7
172.43552	0.2
177.12724	0.6
179.05508	3.8
181.12320	0.3
183.13802	2.1
185.11714	0.8
193.12248	0.9
197.11736	0.5
199.05977	0.2
199.13397	0.2
201.11230	1.4
209.11783	1.0
211.13310	10.7
212.13660	0.6
217.07118	0.3
221.06584	2.0
221.11806	1.9
225.62106	0.2
227.12827	0.3
229.14384	7.8
229.38521	0.2
230.14709	0.3
233.15674	0.2
235.08179	2.8
239.12807	1.3
245.06497	0.2
247.20671	0.3
253.09241	0.7
257.13821	0.2
263.07764	0.3
273.18512	0.4
275.28992	0.2
276.59436	0.2
277.21683	17.3
278.21985	1.0
287.07669	1.0
291.19623	3.5
291.22668	0.2
292.20078	0.4
305.08682	1.8
309.20679	11.4
310.21146	0.7
311.22183	0.2
323.09848	0.6
327.21722	100.0
328.22058	7.4
351.21414	0.3
369.22708	0.3
379.12378	0.5
397.13464	23.1
398.13733	1.3
414.71661	0.2
415.14532	15.3
416.14957	0.8
531.27808	0.3
545.29584	0.3
587.43048	2.3
588.43549	0.4
675.35590	0.9
707.34790	6.1
708.35229	1.2
725.35950	5.7
726.36450	0.7
918.77789	0.2
985.57196	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.8
71.01249	14.6
71.21310	0.4
72.99178	1.4
73.02812	2.2
75.00738	0.2
81.03320	0.7
83.01256	1.9
83.04877	0.5
84.02058	0.4
85.02818	8.9
87.00748	2.8
89.02312	12.2
89.91144	0.2
90.02635	0.2
93.17493	0.2
95.01250	1.3
95.04877	0.5
96.95894	0.7
97.02826	3.7
97.03452	0.2
97.06441	1.5
99.00747	0.8
99.04380	0.3
101.02318	10.8
109.02830	0.3
111.04398	0.3
113.02325	5.9
115.03877	0.2
119.03369	3.3
123.07996	0.4
125.02326	3.7
125.09612	0.9
127.07486	0.2
127.11169	1.0
131.03391	0.6
133.04953	0.3
137.09605	1.8
139.03915	0.2
143.03386	2.0
149.04475	0.4
155.10658	0.6
155.14333	0.4
159.65517	0.2
161.04477	2.4
161.30659	0.2
165.12740	0.3
167.03445	0.4
167.10596	0.2
167.14330	0.3
171.10172	19.9
172.10483	0.7
177.12703	0.6
179.05537	3.4
183.13794	1.8
185.04459	0.2
185.11731	0.5
193.12279	0.6
195.13840	0.2
197.11783	0.6
201.11270	0.9
209.11769	0.8
211.13324	9.3
212.13654	0.3
217.07098	0.5
221.06686	0.9
221.11734	1.8
227.12793	0.2
229.14374	6.5
229.32405	0.2
230.14824	0.3
235.08168	4.1
239.12854	1.2
240.13789	0.2
245.06631	0.4
247.20557	0.4
253.09280	0.8
259.20639	0.2
263.07684	0.6
275.20181	0.2
277.21701	28.9
278.22058	1.9
287.07675	1.2
291.19708	3.0
291.23010	0.3
294.06744	0.2
305.08786	1.7
309.20691	8.3
310.21088	0.7
323.09863	1.1
327.21729	100.0
328.18362	0.4
328.22076	5.5
351.21710	0.3
375.57620	0.2
379.12503	1.0
390.38446	0.2
397.13464	51.1
398.13773	2.3
415.14526	15.7
416.14789	1.0
437.99872	0.2
545.29016	0.2
587.42920	1.8
675.35962	3.5
676.36145	0.4
707.34900	4.9
708.35095	0.5
725.35809	3.2
726.36523	0.4
736.88214	0.2
738.02759	0.2
985.57123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.5
69.43372	0.2
71.00900	0.2
71.01257	3.1
71.04889	0.6
72.99175	0.3
73.02812	0.4
83.01253	0.2
83.04887	0.7
85.02818	0.6
85.06460	0.3
87.00755	0.6
87.04388	0.7
89.02322	2.1
95.01215	0.2
95.04889	0.5
96.39815	0.2
97.02819	0.6
97.06466	0.6
98.19746	0.4
99.00736	0.4
101.02331	2.1
108.35596	0.2
109.06442	0.6
111.08044	1.6
113.02324	1.0
113.09583	0.3
119.03371	0.8
125.02332	1.1
125.09620	0.6
127.11186	0.9
129.09039	0.3
129.22638	0.2
135.11710	0.5
137.02365	0.2
137.09596	0.5
138.06801	0.2
141.09111	0.3
143.03409	0.4
149.09692	0.4
149.13255	0.5
151.03897	0.5
151.07565	0.9
151.11206	0.7
152.08289	0.6
153.09123	0.5
153.12759	2.1
155.10690	0.9
161.04443	0.6
161.09610	0.2
163.11218	0.3
165.12808	0.3
167.10672	1.5
169.12236	0.6
171.10161	0.3
179.05573	0.5
179.10701	0.5
179.14349	1.2
181.12288	1.7
193.15906	0.7
197.11766	1.7
199.13292	0.7
205.15994	0.3
207.13812	1.3
207.17462	0.2
208.14349	0.2
209.15367	1.1
210.15695	0.2
215.12820	1.3
219.17551	0.3
221.06720	0.2
226.12115	0.2
227.12794	0.7
228.13637	0.7
229.46368	0.2
235.08061	1.2
245.19127	0.7
247.20647	2.9
251.16527	0.7
263.20172	0.7
265.17953	0.3
265.21649	0.4
273.18631	1.6
277.19196	0.2
277.21725	5.7
278.22125	0.6
281.21167	1.0
287.07709	0.3
289.18164	0.3
291.19659	17.4
292.20007	1.1
305.08768	0.2
307.18997	0.4
308.19135	0.2
309.20694	100.0
310.18130	0.2
310.21057	7.5
397.13486	10.2
398.13858	0.8
415.14581	3.7
416.15103	0.3
675.35876	0.3
947.50824	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	1.3
69.03330	4.2
69.38205	2.4
69.38610	10.2
71.01247	45.0
72.99183	4.4
73.02826	4.4
78.75508	1.1
79.81771	1.2
81.03343	5.2
83.01236	6.0
83.04897	1.9
85.02813	11.2
87.00743	11.6
89.02312	36.1
93.03348	1.8
95.01271	5.1
95.04900	3.7
97.02824	8.5
97.06464	6.9
99.00764	3.6
101.02314	31.1
111.00771	2.2
113.02335	19.3
116.92754	1.8
119.03362	9.6
121.06464	1.4
123.04399	4.4
123.08041	2.8
125.02343	13.0
125.09628	13.5
131.03426	2.6
135.04414	1.3
135.08075	1.6
137.09605	4.3
143.03378	6.0
149.04601	1.3
149.05963	1.5
161.04483	5.8
163.11214	7.2
165.12738	1.4
177.12744	1.9
179.05473	9.2
185.11731	14.2
186.86473	1.1
189.50821	1.1
191.10652	1.2
191.14316	11.5
207.10207	4.4
209.11792	22.0
211.13333	3.4
217.15950	2.3
221.06583	5.0
225.11290	3.8
227.12860	9.9
235.08130	9.9
235.11742	1.3
237.11197	4.4
245.19044	21.6
253.09213	2.4
261.55130	1.3
263.07623	1.8
263.20193	4.0
271.17035	3.2
277.21695	100.0
278.22043	4.6
279.68616	1.2
281.21075	1.9
289.18079	90.7
290.18375	4.2
305.08597	1.9
307.19128	73.4
308.19370	3.2
379.12457	2.3
389.15268	1.4
397.13507	38.9
415.14520	14.9
444.19510	1.2
468.67993	1.1
607.25739	1.9
705.34113	2.0
712.65417	1.3
716.27057	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	20.1
71.57836	4.7
72.99214	5.7
75.00780	3.3
83.04898	4.7
85.02816	8.5
87.00740	9.2
89.02324	18.8
92.43271	4.3
96.95889	43.4
97.02842	5.9
101.02329	22.0
113.02320	11.9
116.92744	12.9
119.03423	6.9
121.02864	8.7
122.58709	3.9
124.59259	4.0
125.02331	6.9
129.01801	6.9
134.03572	7.1
137.02293	6.8
143.58331	4.1
161.04469	6.1
171.10120	7.7
172.68779	3.7
175.03859	5.3
179.05598	5.3
197.11801	19.1
199.13289	4.1
209.09891	6.1
209.11786	88.0
210.12364	4.8
211.13307	13.2
214.61572	4.0
227.12828	21.6
235.08073	4.4
291.19696	24.1
309.20682	100.0
309.24207	4.9
310.21051	7.8
379.12479	9.2
397.13434	59.1
415.14618	18.5
589.24762	8.5
607.26080	10.7
614.88867	4.5
616.79779	4.4
689.33661	12.9
707.34729	13.5
899.46863	10.5
985.47693	65.5
986.47406	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	983.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99670	0.3
69.03351	1.4
69.03652	0.3
70.45171	1.0
71.01254	20.6
71.04877	0.4
72.01601	0.4
72.99171	2.2
73.02821	2.4
75.00739	0.4
81.03323	0.7
83.01243	2.0
83.04893	0.8
85.02821	4.3
87.00747	4.7
89.02316	16.7
92.90951	0.3
93.03326	0.4
95.01270	1.3
95.04878	1.1
96.95891	2.2
97.02829	2.7
97.06446	0.4
99.00751	1.2
101.02321	14.5
109.02838	0.4
109.06462	0.5
111.00787	0.5
111.04435	0.8
111.08035	7.4
113.02332	7.5
113.09616	0.6
115.03861	0.3
119.03395	5.5
125.02329	4.4
125.09618	0.4
126.27037	0.3
131.03381	0.8
139.03934	0.5
141.01761	0.5
143.03415	2.7
149.04486	0.6
149.09607	0.9
153.09103	0.5
155.10683	0.4
161.04478	2.9
162.72878	0.2
167.03394	0.4
167.10677	2.0
171.02747	0.3
171.10162	1.7
173.96211	0.3
175.11192	0.3
177.12767	2.2
179.05544	4.9
179.10632	1.6
179.14311	0.9
185.04390	0.4
185.11761	0.4
195.13841	12.6
196.14320	0.6
197.11777	0.8
199.06018	0.4
203.14345	0.5
205.12299	0.9
205.15849	0.4
209.11830	1.8
211.13292	0.6
217.07083	0.3
221.06648	2.7
223.13353	6.1
224.13805	0.4
225.14871	0.9
228.13553	0.6
231.21278	0.3
235.08202	3.9
236.08228	0.3
247.20612	1.5
253.09258	1.2
256.13156	1.8
263.07651	1.0
265.21658	0.5
273.18515	1.2
275.20126	5.5
277.09229	0.3
277.21729	2.8
287.07739	1.0
289.18134	0.8
291.19656	79.7
292.20013	4.4
293.21219	100.0
294.21545	5.2
305.08749	1.3
307.19232	1.8
309.20563	1.5
317.21298	0.6
323.09741	1.0
325.20135	4.2
325.23611	0.4
333.20734	0.6
365.80502	0.3
379.12555	1.7
397.13495	28.6
398.13715	0.9
415.14569	13.5
416.14764	0.8
449.89572	0.3
580.01764	0.3
673.33899	0.5
687.32513	0.4
689.34344	1.4
705.33240	0.6
869.67920	0.3
965.55670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	2.5
71.01248	20.4
71.57998	1.0
72.99185	1.3
73.02818	1.8
74.34886	0.8
83.01253	1.7
83.04890	1.0
85.02811	4.2
87.00742	4.3
89.02314	15.1
95.01250	2.2
96.95885	13.1
97.02821	3.3
101.02316	13.5
109.06490	1.2
111.08043	10.9
113.02318	7.2
116.92723	1.0
119.03423	5.3
125.02288	4.7
127.07533	0.8
136.58578	0.8
137.14148	0.7
143.03404	2.4
153.12689	1.4
161.04463	2.7
163.11244	1.0
169.12259	4.0
171.10162	3.6
179.05511	4.1
179.10686	1.0
179.14322	1.4
181.12338	1.9
183.13838	1.3
195.13843	8.9
197.11755	43.1
198.12119	2.1
199.13322	2.3
209.11641	1.1
211.13319	8.7
221.06610	1.5
223.13362	7.2
227.12854	1.9
235.08170	3.4
247.09744	1.0
253.09084	1.5
260.61942	0.9
263.07623	0.8
263.20212	3.9
265.17905	1.1
275.20255	6.0
277.21689	2.1
283.37244	0.8
287.07675	1.3
289.18076	1.7
291.19659	17.0
292.19986	3.2
292.56998	0.8
293.21213	100.0
294.21512	5.0
305.08679	1.8
307.19022	1.6
309.20688	95.2
310.21106	4.6
323.09689	1.5
324.63599	0.9
379.12375	1.9
397.13510	39.5
398.13718	2.4
415.14548	23.8
416.14853	2.1
500.59824	0.9
516.46533	0.9
585.41467	3.6
689.34418	2.2
691.35077	2.7
707.34497	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	983.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.4
69.73974	2.0
70.68934	0.3
71.01251	18.2
71.04909	0.3
72.99182	1.6
73.02810	3.0
75.00752	0.4
76.49048	0.3
78.95784	0.5
81.03363	0.9
83.01255	1.9
83.04910	1.0
85.02826	4.2
87.00739	3.3
89.02314	14.0
93.03371	0.6
95.01248	1.7
95.04920	0.6
96.95888	5.8
97.02831	4.9
97.06503	0.9
98.20545	0.5
99.00777	1.2
99.04391	0.4
101.02313	11.4
109.02828	0.6
109.06495	0.8
111.08039	5.5
111.08762	0.4
113.02332	6.1
113.03068	0.6
115.03924	0.3
116.92751	0.5
119.03381	3.4
119.08548	0.5
121.10120	0.5
123.04460	0.4
123.08077	0.6
125.02331	4.9
125.09617	0.7
127.07572	0.5
127.24495	0.3
128.26257	0.3
131.03381	0.6
133.05026	0.4
137.09622	0.7
139.03841	0.5
141.01828	0.7
141.09123	0.4
141.12802	0.3
143.03383	1.7
143.89841	0.3
151.11179	0.5
153.12791	0.5
154.97755	0.3
161.04437	2.5
163.11183	1.2
165.12770	1.6
167.03363	0.4
167.10686	0.8
169.12212	2.5
171.10199	3.1
177.12680	0.5
179.05539	4.2
179.10709	0.7
179.14342	1.3
181.12306	1.3
183.13795	1.0
193.12251	0.8
193.15791	0.3
195.13832	7.5
196.14458	0.7
197.11749	28.5
198.12074	0.9
199.06099	0.5
199.13304	1.7
205.12401	0.5
205.15826	0.5
209.11757	1.3
209.47762	0.4
211.13339	5.1
217.07115	0.4
221.06541	1.8
223.13332	6.9
227.12846	2.1
228.13565	0.7
231.21005	0.5
235.08174	4.3
245.06761	0.4
247.09471	0.4
247.20654	1.6
253.09259	1.0
256.13092	1.3
263.20184	1.6
265.18085	1.0
265.21729	0.6
273.18558	0.9
273.21725	0.3
275.20175	6.2
276.20187	0.4
277.21542	0.7
287.07788	1.3
291.19653	19.7
292.20010	1.3
293.21210	100.0
294.21509	4.6
305.08731	1.9
309.20688	70.1
310.21121	3.2
317.21143	0.3
323.09805	1.0
341.10928	0.4
379.12415	1.8
389.44205	0.3
397.13480	34.4
398.13977	1.6
415.14569	18.8
415.19379	0.3
416.14987	0.9
425.29803	0.3
585.41602	2.9
595.25391	0.7
673.34076	1.0
689.33936	1.7
691.35760	2.7
707.34668	3.0
872.92426	0.3
983.53143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.9
69.35681	2.3
69.36086	9.4
71.01260	3.2
79.71353	0.9
83.01283	1.1
85.02831	3.1
87.00748	1.1
88.38200	1.0
93.03326	1.6
93.77631	1.0
101.02319	1.7
107.01286	1.6
108.02046	1.4
109.02840	2.4
111.00790	1.3
113.02315	2.0
121.02843	1.4
122.03637	3.2
123.00744	1.3
124.01563	1.6
125.02335	2.8
133.02849	4.3
135.04430	2.2
137.02328	1.6
147.00838	1.2
149.02301	6.9
149.99585	1.7
150.03061	1.6
151.00282	3.5
152.01073	2.3
153.01799	1.3
159.45020	1.1
163.03929	1.5
164.04668	5.1
165.05432	1.1
168.00563	2.8
175.00299	7.9
175.03896	2.4
182.67722	1.1
189.01691	1.1
190.02629	24.6
191.03256	1.7
191.05531	3.5
193.04872	1.3
199.03973	1.8
205.05005	26.7
205.06819	2.0
206.05446	1.4
223.06000	5.8
226.76860	1.1
227.03467	1.7
255.03024	2.1
256.03772	2.9
257.04498	1.5
284.03253	47.1
285.04028	100.0
286.04416	5.7
287.09256	2.5
300.02701	1.1
301.03430	2.7
329.10287	3.9
337.05844	1.2
352.08096	1.9
367.10349	5.6
442.55582	1.2
447.09305	94.2
448.09781	6.2
463.08215	1.3
491.15668	21.9
491.25470	1.7
503.11676	1.4
535.14539	35.3
535.23181	2.2
536.14844	2.0
593.15381	2.1
706.02393	1.2
983.30109	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	1.8
71.01251	14.4
71.04874	1.0
71.57484	0.9
71.57891	1.3
72.99167	1.6
73.02812	1.4
81.03311	1.6
82.95296	1.0
83.01252	1.9
83.04898	1.3
84.90068	0.7
85.02818	2.7
87.00741	4.5
89.02311	13.1
95.01257	0.9
95.04908	2.1
96.95889	4.2
97.02814	2.2
101.02314	8.8
109.06472	8.8
111.04412	1.9
111.08029	1.3
113.02346	5.2
119.03375	3.3
123.08038	1.1
125.02368	4.7
131.03363	1.4
133.27728	0.7
137.16440	0.7
141.01830	1.1
143.03337	1.6
145.06470	1.2
149.09647	1.3
151.11154	1.1
161.04456	2.6
167.10677	2.1
169.08260	0.8
171.10162	1.5
179.05548	5.0
179.10608	1.0
195.13840	9.5
196.14507	0.8
205.12335	0.9
221.06548	2.1
223.13324	4.0
226.29033	0.9
228.13554	0.9
235.08116	3.9
245.19034	4.8
253.09340	1.1
256.13101	1.0
275.20099	5.7
287.07654	1.5
287.16501	1.4
289.18082	85.9
290.18494	4.9
291.19638	2.7
293.21219	100.0
294.21567	6.6
296.44241	1.0
297.15176	2.6
305.08682	1.1
307.19217	4.9
309.20615	2.6
379.12482	1.8
397.13492	31.8
398.13840	1.8
415.14529	14.9
669.31384	1.2
687.31995	3.4
691.35571	1.6
704.63867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.36
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01252	4.3
71.04871	0.4
71.58708	0.4
71.59126	0.5
72.99171	1.0
73.02808	0.6
78.47626	0.4
83.01256	0.4
85.02823	2.1
86.93678	0.4
89.02331	2.3
93.03344	0.5
100.70752	0.4
101.02293	2.2
109.09109	0.4
110.47124	0.4
113.02315	1.2
117.03329	7.1
119.03397	0.7
121.02815	0.4
131.01295	1.0
135.04341	0.5
135.56100	0.4
147.30437	0.4
149.02377	0.4
151.03889	0.4
153.01880	0.5
154.01357	2.1
161.02281	1.0
163.03900	0.9
173.02357	3.7
175.00276	6.3
193.06358	0.4
221.06010	0.4
223.13356	4.8
241.14378	1.1
249.05542	0.6
262.56345	0.4
269.04517	2.4
271.02518	0.9
281.04514	1.8
282.05295	1.6
283.06097	5.2
285.03894	0.6
293.04538	90.9
294.04855	5.1
295.06024	1.4
300.02701	1.4
309.04031	0.6
311.05585	9.3
314.04224	1.4
323.05533	2.0
335.05621	1.1
341.06644	2.3
391.22198	0.4
403.19693	35.0
404.19980	1.7
413.08734	21.7
414.09045	1.8
457.11346	1.7
464.81641	0.4
527.71619	0.5
577.15570	100.0
578.15930	9.6
579.14398	0.5
582.25079	0.5
609.14569	1.7
664.35980	0.4
981.29132	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	2.6
71.01250	3.5
71.58131	0.3
72.99200	0.4
73.02795	0.7
75.00745	0.9
76.52244	0.3
77.93223	0.3
79.09747	0.3
80.89354	0.3
81.03332	0.9
83.01253	1.9
83.04939	0.3
85.02816	2.4
85.96160	0.3
87.00770	0.9
88.98677	0.4
89.02324	1.0
93.03319	1.9
95.01254	2.4
96.95886	3.9
97.02837	2.9
99.00758	0.5
101.02325	1.7
107.01283	1.0
107.04912	0.6
108.02032	3.0
109.02856	3.1
111.00769	0.6
113.02316	2.0
116.92783	0.4
117.03390	0.5
119.01293	0.4
119.03489	0.3
119.04882	0.9
121.02837	1.5
123.00774	6.2
123.04384	0.8
124.01553	14.9
125.02333	53.9
126.02699	1.0
126.49588	0.3
129.25371	0.4
132.02077	0.6
132.98312	0.3
133.02884	0.6
134.03653	1.4
135.00761	0.8
135.04446	1.0
136.01537	0.6
137.02341	4.7
139.00203	0.4
139.03897	0.5
141.01779	0.8
141.04051	0.9
145.02878	0.6
149.02338	5.7
149.99483	28.3
150.03062	0.8
151.00273	3.5
151.03886	1.3
152.01050	2.1
153.01823	3.5
157.45790	0.3
160.01572	0.9
161.02327	1.3
161.04460	0.7
161.60461	0.3
163.00252	0.3
163.03888	1.1
164.04669	2.7
165.01787	0.9
165.05435	0.7
166.02574	0.4
167.03419	1.7
168.00549	60.0
169.01321	6.7
175.00296	1.2
175.03940	1.4
175.11313	0.4
177.01840	1.3
179.03345	0.8
179.06975	0.3
180.04294	0.4
183.13805	0.8
190.02631	2.3
191.03365	0.9
192.00571	0.9
193.01392	1.1
193.05000	1.4
205.05054	2.1
211.13147	0.4
223.06042	2.5
284.03113	0.8
285.04102	1.5
301.07217	0.5
303.09155	0.5
308.20883	0.3
313.05621	9.8
315.07217	1.3
331.06677	100.0
332.07031	4.4
339.07285	0.5
383.06354	0.4
399.05658	21.2
400.06021	1.0
455.18930	0.5
462.65744	0.3
515.08118	0.6
521.33704	0.4
577.26093	0.4
589.11340	0.5
589.31738	0.5
977.32520	22.3
978.33264	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	977.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03348	1.7
71.01248	3.7
72.99194	0.6
73.02821	0.6
75.00732	0.7
79.95613	0.5
81.03339	0.9
83.01279	1.5
85.02822	2.4
87.00780	0.9
88.98672	0.6
89.02357	1.7
91.01791	1.0
93.03366	1.6
95.01254	2.3
96.95888	4.2
97.02827	3.1
99.00789	1.6
101.02332	1.8
107.01290	1.2
107.04892	0.5
108.02079	2.0
109.02843	4.9
110.11105	0.5
113.02326	2.2
121.02846	2.2
123.00773	5.9
123.04407	1.2
124.01556	13.4
124.02432	0.9
125.02326	53.1
126.02696	1.4
129.01904	0.6
133.02867	0.7
134.03644	1.6
135.00801	2.0
135.04404	1.2
137.02339	4.2
139.03912	1.2
141.04057	1.3
145.02843	0.9
147.04477	0.5
149.02335	5.5
149.05995	0.5
149.99486	27.1
150.03154	1.0
151.00275	4.2
151.03923	0.8
152.01079	2.2
153.01849	3.4
154.01302	0.9
159.89952	0.5
160.01620	1.6
161.02391	1.6
161.04675	0.5
164.04688	2.9
165.01859	1.2
167.03455	1.6
168.00540	58.4
169.01279	5.9
175.00339	1.4
175.02509	0.9
175.03975	1.9
177.01929	0.9
183.13795	0.6
183.17711	0.4
190.02681	2.7
191.03444	0.9
192.00563	0.8
193.01474	0.7
193.04976	2.2
195.06537	0.7
200.42247	0.5
203.03436	0.5
205.01440	0.5
205.04991	2.6
209.11722	1.1
211.02452	0.8
211.13339	1.1
223.06044	3.2
224.06442	0.5
243.06590	0.8
269.04337	0.7
275.30777	0.5
284.03299	0.8
285.03973	2.2
301.03604	0.5
303.09521	0.7
313.05612	8.7
314.06299	0.6
315.07257	1.6
326.10834	0.6
331.06674	100.0
332.07022	5.1
399.05618	22.5
399.09927	0.4
400.05923	0.8
429.10461	1.7
544.28839	0.6
577.26086	0.8
742.62683	0.6
883.46405	0.6
977.32648	21.2
978.33344	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	975.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03329	2.7
71.01255	7.6
71.57803	0.8
71.58182	1.3
72.99178	1.4
73.02796	1.9
74.02390	0.7
75.80245	0.7
76.11633	0.7
81.03322	1.9
83.01236	1.9
85.02821	4.7
85.03277	0.8
87.00723	1.8
87.70258	0.9
89.02329	2.0
93.03331	5.0
95.01256	13.6
96.95879	7.3
97.02823	2.7
99.00713	1.3
101.02307	1.8
101.77207	0.8
108.02042	7.3
109.02855	5.7
109.03471	1.3
111.00734	1.2
113.02289	2.7
119.03378	1.3
119.04913	3.0
119.91432	1.0
121.02824	2.7
122.03638	1.5
122.05997	2.0
122.99900	1.6
123.00764	25.2
123.04335	1.2
124.01555	39.3
125.01441	1.5
125.02339	30.7
132.02072	1.2
133.02852	1.5
134.03593	3.2
134.06015	2.5
135.00706	1.3
135.04396	2.1
136.01540	1.2
136.07555	1.2
137.02325	9.3
139.03857	1.1
141.04048	2.4
146.03595	1.1
146.05946	1.4
149.02359	7.2
149.05959	1.1
149.99486	58.1
150.03088	4.8
151.00270	7.5
151.03917	2.3
152.01038	5.9
152.07117	1.0
153.01857	7.6
160.01543	1.9
161.02269	1.6
161.04454	1.0
163.00287	2.6
163.03848	2.4
164.04668	3.7
165.01802	1.9
165.05463	2.6
166.02605	2.0
166.99756	14.6
167.02057	0.9
167.03386	3.7
168.00549	100.0
169.01328	31.4
174.96936	0.8
175.00269	1.9
175.03905	2.8
177.01866	1.8
179.03438	1.8
179.07111	1.1
180.04288	1.3
180.06490	1.1
181.01331	4.6
181.04826	1.0
187.08958	0.9
188.07030	0.9
190.02606	4.9
191.03481	0.9
191.05518	2.1
193.01401	2.4
193.04956	2.6
195.06511	2.4
197.00768	1.3
201.48079	1.0
205.04979	2.6
209.16113	0.9
211.02338	4.6
213.10210	1.3
223.06021	2.8
237.60516	1.0
239.08246	1.1
239.11859	1.9
241.09685	1.2
249.10144	1.1
251.11771	2.0
253.09679	1.4
263.08255	1.1
263.11707	0.9
265.09656	1.9
267.07233	1.2
267.11371	2.9
269.04501	1.1
277.09750	2.2
278.10477	1.7
279.07678	2.5
279.11139	1.9
283.10480	1.5
285.04007	1.2
285.12375	1.9
291.11169	1.5
292.08383	0.9
293.09485	5.3
305.09445	1.1
306.09985	2.0
307.10907	4.2
308.11621	2.4
313.05582	3.2
331.06720	7.7
333.08780	1.6
340.10709	1.3
351.09909	1.6
353.11081	1.6
369.13345	1.4
398.15186	1.5
402.18033	1.3
412.16782	1.2
430.17615	2.4
456.15430	5.5
474.16379	5.1
492.17590	3.2
599.18018	1.2
806.23468	2.5
820.25354	2.1
838.26526	14.2
852.28143	7.5
893.29041	1.6
911.29657	3.1
931.44470	2.0
943.32263	17.9
944.31824	1.9
975.35089	77.4
976.35229	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	971.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48468	0.3
69.03307	1.3
71.01251	14.8
71.78679	0.3
72.99153	1.6
73.02812	2.5
75.00733	0.5
79.93396	0.3
81.03307	1.0
83.01259	1.7
85.02826	3.1
87.00748	3.4
89.02314	14.4
90.57457	0.3
91.03915	0.6
95.01241	1.3
95.04890	0.5
96.95874	1.0
97.02819	3.3
97.06409	0.4
98.20591	0.6
99.00747	1.6
101.02321	12.9
111.04361	0.7
113.02322	6.5
113.09611	0.4
116.92750	1.4
119.03400	4.0
125.02338	6.2
131.03401	0.5
133.04987	0.4
139.03883	0.4
141.01793	0.4
142.52824	0.3
143.03377	3.0
149.04501	0.5
161.04465	2.6
167.03407	0.6
169.04945	0.4
179.05565	3.1
179.14319	0.9
185.04472	0.5
195.13843	6.9
196.14566	0.5
205.12253	1.0
209.11909	0.3
211.13370	0.7
221.06567	1.1
223.13319	6.1
228.13634	0.9
229.59920	0.5
231.21344	0.4
235.08191	7.4
253.09364	1.8
256.13141	1.5
263.07632	0.7
265.21701	0.5
275.20081	4.9
277.09167	0.5
279.23276	47.0
280.23712	1.9
287.07800	2.3
291.19708	0.5
293.21216	100.0
294.21570	4.3
298.97537	0.3
305.08844	2.3
323.09811	0.8
379.12344	0.4
397.13489	71.4
398.13745	3.5
415.14569	23.0
416.15131	0.8
677.37109	3.8
678.37573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	1.3
70.98582	2.7
71.01251	51.3
72.99173	5.5
73.02825	2.8
75.00741	1.4
83.01242	2.8
85.02824	12.1
87.00747	5.9
89.02316	49.9
93.03331	7.6
95.01278	6.8
96.25926	1.1
96.95889	5.9
99.00765	1.9
101.02317	24.0
104.65099	1.3
107.01268	1.5
107.04917	1.4
108.02061	5.5
109.02823	8.9
113.02332	19.4
117.03333	3.2
119.03391	22.3
119.04869	2.5
121.02836	10.3
122.03625	18.7
123.00742	1.9
123.04398	2.9
124.01542	2.8
125.02337	4.6
131.03392	2.1
132.02086	2.9
133.02852	5.3
134.03641	8.5
135.04370	5.3
136.01552	30.1
137.02345	13.2
139.00253	1.9
141.04063	1.3
143.03442	5.8
145.02838	10.8
146.03604	8.4
147.04372	3.6
148.01575	2.1
149.02335	38.5
149.04312	2.7
149.06001	5.1
150.03120	100.0
151.00269	6.8
151.03917	53.7
152.01045	4.6
152.04466	1.4
153.01813	8.4
153.05440	1.6
160.01538	2.3
161.02393	12.5
161.04460	6.2
161.05978	4.4
162.01709	1.9
162.03125	57.0
163.03810	5.4
164.04703	10.0
165.01826	4.8
165.05476	83.8
166.02618	17.8
166.05788	1.3
167.03447	2.7
168.00526	1.6
169.15906	1.2
175.00233	1.7
175.02539	1.5
175.03822	5.8
176.04739	1.3
177.01874	2.8
177.04034	2.6
177.05473	29.6
178.02596	3.2
178.05815	1.6
179.03450	4.4
179.05499	14.2
179.07043	6.9
180.04224	10.9
181.04982	21.4
182.05348	1.3
187.03946	2.2
190.02637	6.2
191.03320	1.8
191.05443	1.2
192.04230	1.9
193.04968	4.5
195.06555	47.9
196.07106	1.4
202.06358	1.1
204.04260	1.4
205.05019	8.1
206.05774	2.3
207.06586	2.7
209.11702	1.5
211.42009	1.2
219.06310	1.3
220.07304	3.5
223.06056	4.1
225.07773	1.4
266.51337	1.1
267.02884	1.8
275.09058	1.5
285.04016	4.8
286.04208	1.2
357.11853	5.0
372.12064	1.3
373.12930	2.7
387.14734	5.6
392.88120	1.5
416.14612	1.7
417.15494	8.4
421.15128	3.1
449.14438	2.7
457.93176	1.4
535.16858	1.8
541.48230	1.4
563.19427	3.3
565.20636	19.0
566.21423	2.2
577.20807	6.7
583.19891	1.4
595.22150	6.9
613.22400	5.9
713.25861	5.8
725.26111	14.7
726.25897	2.4
743.27307	8.5
743.58923	1.3
755.26672	1.5
761.27722	3.6
773.27783	10.9
774.27979	1.5
791.28772	3.2
809.29736	3.9
923.33392	3.7
971.34979	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	971.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	2.4
71.01252	51.8
71.58691	1.4
72.99183	5.0
73.02828	1.4
75.00726	1.6
83.01241	2.4
85.02818	14.2
87.00763	6.2
89.02314	52.1
91.01739	1.8
93.03336	13.1
94.03600	1.6
95.01268	5.4
95.04899	1.8
96.95884	11.6
97.02836	2.1
99.00763	3.1
101.02325	22.4
107.01305	1.7
107.04928	1.4
108.02040	5.9
109.02839	6.2
113.02330	19.2
119.03382	20.5
119.04914	4.6
121.02834	12.6
122.03626	16.0
123.00772	2.0
123.04383	4.1
124.01552	1.9
125.02306	5.8
125.07520	1.2
128.03401	1.7
131.03378	3.3
132.02068	3.4
133.02866	8.4
134.03629	16.1
135.04446	5.8
136.01559	32.5
137.02348	17.3
138.03081	1.9
139.00235	1.8
139.03850	1.9
141.04034	1.4
143.03407	5.0
145.02873	8.5
146.03668	6.8
147.04398	3.6
148.01559	1.9
149.02347	40.4
149.04320	1.7
149.05942	6.0
150.03128	100.0
151.00299	7.3
151.03912	53.3
152.01067	7.4
152.04381	1.9
153.01794	7.1
153.05490	2.3
159.04384	1.6
160.01570	8.0
161.02342	8.4
161.04459	6.0
161.05974	3.3
162.03136	42.6
163.03894	4.9
164.04675	11.6
165.01813	13.6
165.05482	89.0
166.02646	12.3
166.05908	2.4
167.03345	3.6
168.00587	3.1
169.01390	1.4
175.00249	2.8
175.03880	9.5
176.04530	1.6
177.01877	3.0
177.05493	33.5
178.02522	1.8
179.03535	6.6
179.05511	14.3
179.07057	12.9
180.04228	14.8
181.04991	15.7
183.13693	1.6
190.02621	5.6
190.06259	1.6
191.03441	3.4
191.05527	4.2
191.07111	1.8
192.04274	2.5
193.05005	8.3
194.05765	1.6
195.06552	62.2
196.06961	2.6
205.04999	9.9
206.05609	2.1
207.06516	3.0
209.04457	1.8
209.11763	2.1
210.05318	1.4
217.05121	1.7
219.06659	1.5
220.07352	2.1
221.08224	1.3
222.50835	1.4
223.06055	2.6
225.07658	7.2
249.05589	1.7
255.02934	2.3
267.06870	1.4
284.03140	1.8
285.04056	19.1
286.04379	2.0
301.03314	1.6
314.39218	1.3
329.10165	1.6
343.11798	1.4
357.12738	2.2
367.10263	1.4
372.12335	2.4
373.12622	2.0
387.14587	8.9
394.10318	1.3
403.14236	2.4
416.14624	3.1
417.15515	5.4
421.15518	1.6
427.19550	1.7
449.14316	1.7
564.20319	2.2
565.20752	18.5
566.21130	2.5
577.20636	3.9
595.21851	16.8
596.21490	1.7
613.22668	4.7
649.22839	2.4
713.25934	13.8
725.26099	4.9
726.24921	1.5
743.27124	23.7
744.28125	2.8
761.28351	9.3
773.28094	6.3
774.28302	1.7
791.29169	8.6
809.31451	1.8
903.87445	1.7
923.34387	1.7
927.39081	2.7
971.32239	7.6
972.35547	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	967.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.4
71.01247	26.0
71.06480	1.6
72.99175	3.1
73.02827	3.6
82.52818	0.8
83.01254	3.1
83.04894	1.5
85.02814	6.8
87.00755	6.1
89.02309	21.3
95.01270	1.8
97.02812	3.9
99.00719	1.7
101.02318	19.3
111.04315	1.1
111.08039	8.7
113.02316	11.2
116.92743	1.1
117.92738	0.8
119.03379	7.0
121.10123	0.7
125.02329	7.6
131.03358	1.3
143.03400	3.5
161.04468	4.6
167.10626	2.1
177.12692	1.7
179.05544	5.8
195.13815	5.3
207.94931	0.8
213.62032	0.7
221.06538	2.6
235.08150	5.9
247.20648	2.1
253.09293	1.8
273.18536	1.0
275.20233	1.4
277.21704	59.4
278.22134	4.7
287.07794	1.9
291.19647	100.0
292.20038	5.2
305.08768	1.4
309.20712	1.4
367.99646	0.8
379.12366	2.5
397.13464	39.0
398.14063	0.9
415.14468	10.0
416.14752	0.8
429.51053	0.8
777.28687	0.8
789.95776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.9
69.61707	6.4
71.01252	21.7
72.99183	1.8
73.02816	3.7
83.01257	1.9
83.04868	0.9
85.02825	5.7
87.00757	4.8
89.02310	18.6
97.02847	3.7
98.19829	2.0
99.00755	1.5
101.02318	14.5
103.50446	0.9
111.08034	8.8
113.02312	7.9
119.03382	6.8
125.02312	6.5
133.04868	0.9
143.03445	2.2
157.76039	0.9
161.04454	4.1
167.10609	1.9
177.12733	2.0
179.05540	5.1
179.10645	1.9
195.13834	6.5
217.06851	1.2
221.06729	2.4
235.08244	5.9
247.20668	2.3
263.07870	1.2
273.18585	1.0
275.20145	1.6
277.21692	49.6
278.21985	2.6
287.07870	1.4
291.19644	100.0
292.19934	4.6
305.08646	1.3
342.86697	1.0
358.15567	1.0
364.48660	0.9
379.12372	2.9
397.13480	25.8
415.14548	11.1
447.44263	1.0
671.33582	1.1
706.00952	1.1
891.07806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.8
70.45044	0.6
71.01252	23.4
72.01564	0.3
72.99176	2.4
73.02812	3.8
75.00732	0.7
81.03323	0.8
83.01259	3.2
85.02335	0.5
85.02825	5.5
87.00748	5.6
89.02314	20.9
91.03894	0.3
93.03298	0.5
95.01258	1.7
96.95886	3.9
97.02837	4.4
97.06461	0.4
99.00758	1.4
101.02318	18.4
102.02633	0.4
109.02826	0.4
111.04401	0.8
113.02327	9.5
119.03385	6.6
121.02821	0.9
123.04416	0.6
125.02338	8.1
125.05917	0.5
131.03412	0.7
133.04936	0.8
137.02356	0.5
139.03920	0.8
141.01834	0.7
143.03406	4.0
148.08818	0.6
149.04512	0.7
150.10379	0.4
155.03275	0.3
161.04453	5.0
163.11147	0.4
165.12762	10.0
167.03375	0.7
169.04910	0.4
179.05530	4.1
184.46533	0.3
185.04509	0.4
209.04547	0.5
209.11639	0.3
211.13408	0.7
217.06920	0.4
221.06595	1.5
235.08183	11.1
245.06750	0.5
247.20630	4.9
248.20779	0.3
253.09230	2.2
259.20673	0.5
263.07751	1.1
273.18530	3.2
277.21704	59.2
278.22028	3.4
287.07684	2.9
291.19650	33.0
292.20139	2.2
305.08716	4.3
307.19086	0.3
323.09848	1.3
346.64853	0.4
379.12436	0.9
397.13470	100.0
398.13907	4.5
415.14548	32.8
416.14737	2.1
675.36188	3.2
967.46741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5623
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01756	0.2
68.99690	0.3
69.03319	1.8
69.94043	1.0
71.01248	20.6
71.04855	0.2
72.99174	1.7
73.02812	3.1
75.00743	0.4
81.03321	1.0
83.01247	2.5
83.04892	0.5
85.02815	5.1
87.00751	4.9
89.02308	17.2
91.03873	0.3
93.03336	0.4
95.01269	1.6
95.04911	0.4
97.02814	3.5
97.06456	0.5
99.00758	1.1
101.02314	15.1
102.02673	0.3
105.36977	0.2
109.02819	0.3
109.06488	0.4
111.00753	0.4
111.04390	0.6
111.07270	0.5
111.08033	8.9
111.12366	0.2
113.02323	7.9
114.55378	0.2
115.03865	0.5
119.03379	4.3
121.02857	0.4
125.02323	6.4
125.09653	0.4
127.07524	1.0
131.03404	1.0
137.02321	0.5
137.09613	0.4
139.03908	0.7
141.01822	0.6
141.09100	0.4
143.03413	2.1
145.04970	0.2
149.04477	0.7
151.11168	0.8
153.09094	0.6
153.12762	0.8
161.04446	3.8
163.11110	0.4
165.12703	1.2
167.03438	0.5
167.10631	0.5
169.04938	0.3
169.12241	4.5
171.10173	0.9
177.12723	0.3
179.05522	5.4
179.10648	0.7
181.12386	1.1
183.13783	0.9
193.12245	0.9
197.11749	47.5
198.12050	1.7
199.06010	0.3
199.13304	2.7
209.11739	0.4
209.15385	0.5
211.13315	6.3
212.13713	0.4
217.07106	0.5
221.06581	2.2
221.11685	0.3
223.13338	0.3
225.14853	0.6
227.12888	1.7
229.19608	0.4
235.08194	5.7
239.12840	0.2
245.06737	0.3
247.20636	0.8
251.16515	0.5
253.09190	1.1
259.08423	0.3
259.20914	0.3
263.07532	0.7
263.20163	3.2
265.18011	0.9
273.18619	1.1
275.20233	0.3
277.21692	47.5
278.22021	2.2
287.07700	1.9
291.19644	21.2
292.19916	0.9
305.08722	2.0
308.19412	0.3
309.20673	100.0
310.20966	5.1
323.09702	1.4
327.21503	0.3
333.20856	0.5
336.55402	0.2
379.07913	0.4
379.12390	3.5
397.13449	40.6
398.13791	1.9
415.14514	16.9
416.15009	0.6
501.98672	0.3
569.41986	0.7
572.69916	0.3
671.32513	0.5
675.35474	0.8
689.33899	2.4
707.34918	1.9
896.39105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99689	0.5
69.03315	1.7
70.34769	0.8
71.01249	21.4
72.01598	0.3
72.99181	1.9
73.02806	2.7
75.00737	0.4
81.03326	0.8
83.01237	2.0
83.04885	0.8
85.02814	5.6
87.00749	5.3
89.02312	18.3
93.03375	0.3
95.01259	1.4
97.02823	4.3
97.06496	0.5
99.00762	1.2
99.04369	0.5
101.02315	16.8
109.02817	0.4
109.06495	0.7
111.00747	0.5
111.04435	0.4
111.08035	9.5
113.02316	9.5
119.03385	4.8
123.00765	0.2
123.04414	0.3
125.02335	6.9
125.09605	0.2
126.07365	0.2
127.03925	0.3
127.07531	1.0
131.03389	0.9
133.04941	0.6
135.07994	0.3
139.03847	0.4
141.01839	0.4
141.09155	0.3
143.03392	3.4
148.71552	0.2
149.04448	0.6
151.11168	0.6
153.12714	0.7
161.04456	4.3
167.03424	0.5
167.10637	0.3
169.12241	3.3
179.05513	4.7
179.10698	0.4
181.12254	1.3
183.13890	0.6
193.12224	0.5
197.11749	45.5
198.12086	1.4
199.06056	0.5
199.13301	2.6
209.11710	0.4
211.13322	7.0
217.07100	0.8
218.24146	0.2
221.06606	1.4
221.11641	0.9
227.12761	1.1
233.22708	0.4
235.08167	6.7
239.12872	0.6
245.06624	0.5
253.09209	1.4
255.23270	0.9
259.08136	0.3
263.07639	0.7
263.20099	3.4
264.20618	0.2
265.18045	1.1
273.18588	0.6
274.48572	0.2
277.21698	53.3
278.22006	3.2
287.07623	1.7
289.18268	1.2
290.18427	0.5
291.19623	18.0
292.19962	0.6
305.08743	3.1
307.19211	0.9
308.19418	0.6
309.20679	100.0
310.21085	4.2
323.09830	1.4
333.20538	0.3
379.12415	3.2
380.12778	0.4
397.13461	60.9
398.13782	2.6
415.14514	18.2
416.14838	0.9
416.54932	0.2
494.85062	0.2
675.35675	1.2
676.36011	0.3
689.34070	1.3
707.34766	1.1
875.50421	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01765	0.3
69.03316	2.0
70.81070	0.5
70.81416	0.3
71.01247	20.9
71.04873	0.4
72.99171	1.5
73.02810	3.2
75.00730	0.6
77.53644	0.2
80.02524	0.2
81.03319	1.5
83.01257	2.6
83.04888	1.3
84.02048	0.3
85.02362	0.2
85.02811	5.1
87.00739	4.3
87.04366	0.3
89.02308	16.5
91.03884	0.3
92.65232	0.2
93.03314	0.3
95.01255	1.6
95.04877	0.6
97.02818	8.8
97.06433	1.0
99.00732	1.3
99.04422	0.3
101.02314	14.8
102.56690	0.2
107.04910	0.4
109.02833	0.6
109.06464	0.6
110.19968	0.2
111.04375	0.9
111.08031	1.9
113.02315	9.2
115.03890	0.5
119.02559	0.4
119.03375	5.3
119.08562	0.4
121.02869	0.3
121.10170	0.3
123.04362	0.6
123.08000	0.4
124.01512	0.4
125.02324	7.2
125.05968	0.4
125.09605	1.5
127.07520	0.4
127.11137	0.3
129.01849	0.3
131.03378	0.8
133.04977	0.5
135.08052	0.3
137.09639	2.1
139.03911	0.6
141.01810	0.5
141.12691	0.2
142.02628	0.2
143.03403	2.9
149.04410	0.7
153.12653	0.3
160.73711	0.2
161.04439	3.9
163.11166	1.6
165.09068	0.5
165.12746	4.2
167.03413	0.3
167.10764	0.2
169.12276	0.4
171.10162	5.0
177.12813	0.3
179.05513	5.4
179.14299	0.7
181.04958	0.2
181.12254	1.3
182.12854	0.2
183.13768	1.2
185.04504	0.3
185.11768	0.3
191.14339	0.3
193.12291	1.4
193.15968	0.5
195.13785	0.9
197.11736	5.6
199.05978	0.5
199.13248	0.2
203.05540	0.3
209.11674	2.0
211.13338	3.0
216.48207	0.2
217.07077	0.5
221.06567	2.2
221.11703	0.6
221.15404	0.5
223.13307	0.8
227.12836	2.9
235.08170	6.2
239.12874	0.5
245.06645	0.4
245.18718	0.3
247.20621	2.6
253.09215	1.5
263.07700	0.6
263.20163	0.5
273.18616	1.1
275.20023	0.3
277.21686	55.6
278.22003	2.8
287.07690	2.3
291.19638	37.9
292.20013	1.6
305.08670	2.0
307.19150	0.4
309.20670	100.0
310.21030	5.1
323.09836	1.4
333.20605	0.9
351.21713	0.7
361.11493	0.4
379.12375	4.3
380.13113	0.3
397.13446	44.9
398.13773	2.0
415.14542	15.5
416.14767	0.7
559.08868	0.3
569.41931	0.6
675.35425	1.3
689.34003	1.3
707.35120	1.6
729.86005	0.3
964.51489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5631
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	0.4
71.01253	7.4
72.99195	0.7
73.02814	1.0
81.03330	0.3
83.01258	0.7
83.04887	0.2
85.02823	1.8
86.00006	0.1
87.00761	1.8
89.02318	6.6
93.03315	0.1
95.01239	0.5
95.04936	0.2
95.37134	0.1
96.95879	0.5
97.02822	1.1
97.06401	0.1
99.00762	0.5
99.04393	0.2
101.02324	5.9
109.06488	0.2
111.00758	0.2
111.08061	0.3
113.02335	3.1
113.09601	0.3
114.14765	0.1
119.03383	1.7
125.02322	2.0
131.03395	0.3
136.22415	0.1
137.02425	0.1
139.03946	0.2
141.01823	0.1
141.09105	0.3
143.03392	1.1
149.04437	0.2
161.04445	1.2
166.87343	0.1
167.03566	0.1
167.10701	0.3
171.10109	0.2
177.12793	0.3
177.16312	0.2
179.05548	2.3
179.10719	0.2
179.14319	0.8
181.12242	0.4
195.13838	8.1
196.14542	0.5
205.12219	0.7
205.15950	0.4
209.11900	0.1
211.13318	0.6
221.06599	0.9
221.73177	0.1
223.13347	5.0
224.13800	0.2
225.14897	0.3
228.13660	0.7
229.51134	0.2
231.21201	0.4
235.08206	1.6
239.13014	0.2
253.09343	0.3
256.13129	1.3
263.07602	0.3
265.21686	0.5
275.20145	5.0
276.20511	0.3
287.07715	0.5
291.19928	0.1
293.21219	100.0
294.21558	4.2
305.08759	0.8
317.21289	0.4
323.09732	0.5
335.22388	0.2
379.12378	0.8
397.13489	15.2
398.13965	0.5
415.14557	9.1
416.14905	0.2
448.23557	0.1
569.41919	1.2
636.26807	0.2
654.27307	0.3
673.34027	0.8
691.35486	2.0
692.35724	0.2
806.77155	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22557	1.4
69.03321	2.8
71.01248	30.8
71.04514	1.7
71.57642	1.8
72.99179	2.0
73.02814	3.6
83.01262	3.8
85.02816	7.0
87.00765	7.4
89.02314	22.3
95.01269	3.1
95.04898	1.7
96.95895	5.4
97.02818	4.3
99.00761	1.9
101.02316	19.4
111.04358	1.5
113.02323	10.9
116.92783	3.0
119.03411	5.9
121.10078	3.0
125.02351	10.8
125.09593	3.2
143.03389	3.1
158.79729	1.5
161.04449	6.5
171.10197	9.7
179.05498	7.9
185.11749	5.3
197.11691	2.3
209.51172	1.4
211.13322	91.2
212.13647	2.7
217.07129	2.6
221.06572	2.3
235.08243	7.5
253.09047	2.5
277.21701	100.0
278.21964	7.5
287.07678	4.2
291.19638	67.0
293.21136	2.2
305.08920	1.7
309.20694	4.7
379.12360	15.0
397.13495	68.0
398.14017	4.0
415.14517	17.8
591.27258	2.4
671.32367	3.7
675.35876	3.6
938.39087	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01762	0.6
69.03329	2.6
71.01247	20.1
72.99179	2.5
73.02820	2.3
80.02560	0.5
81.03313	1.4
83.01252	2.3
83.04898	0.9
85.02822	5.8
87.00748	5.0
87.04391	0.6
89.02315	15.4
93.03310	0.6
95.01250	1.3
95.04881	0.6
97.02831	12.3
97.06482	1.0
99.00779	1.3
101.02319	13.5
111.04373	0.5
111.08018	1.8
113.02327	8.5
116.31406	0.5
119.03407	3.9
119.08540	0.8
121.10162	0.5
125.02334	6.0
125.09631	1.1
131.03378	0.6
137.09608	1.6
143.03392	2.5
161.04430	3.8
163.11183	1.9
165.12750	3.9
171.10165	7.9
175.11098	0.8
179.05534	5.0
179.14346	0.6
181.12270	1.2
183.13841	1.2
193.12227	1.5
193.16002	0.8
197.11745	5.3
209.11787	1.7
211.13322	2.8
212.13506	0.5
217.07025	0.5
221.06786	2.3
221.11804	1.1
223.13298	0.9
225.11261	0.6
227.12755	2.5
229.94742	0.5
233.15210	0.7
235.08192	5.7
239.12895	1.0
247.20663	2.5
251.16554	1.7
253.09245	1.0
263.07590	0.7
263.20206	0.7
268.10165	0.5
273.18622	1.8
275.20071	0.8
277.21710	48.8
278.22018	2.4
287.07684	1.7
291.19659	33.4
292.20053	1.7
305.08755	2.1
309.20694	100.0
310.21069	5.3
323.09769	1.7
333.20529	0.9
351.21570	0.5
379.12387	3.4
397.13492	36.1
398.13815	1.2
415.14630	13.8
569.42346	0.6
597.28497	0.7
675.35956	1.0
689.33679	1.7
707.35291	2.5
808.62219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01723	0.4
68.99677	0.4
69.03310	1.4
69.63299	1.6
69.63710	0.8
71.01249	20.3
71.04869	1.3
72.99181	1.9
73.02818	3.0
75.00730	0.6
81.03355	1.8
82.95265	2.2
83.01259	2.0
83.02352	0.4
83.04891	1.0
85.02824	4.6
87.00748	4.2
89.02312	16.4
91.03879	0.3
93.03325	0.3
95.01257	1.6
95.04899	1.0
97.02821	3.2
99.00731	1.2
99.04372	0.5
101.02314	14.3
106.04156	0.5
109.02818	0.7
109.06471	7.3
111.00786	0.4
111.04399	3.0
111.08015	1.3
113.01530	0.4
113.02325	8.4
117.06957	0.4
119.03386	5.0
119.08515	1.7
121.06481	0.6
123.08033	0.9
125.02324	6.4
125.09562	0.5
127.07548	0.7
131.03369	0.9
133.04959	0.5
135.08023	0.6
136.66119	0.3
137.05913	0.4
137.09599	0.6
139.03967	0.4
141.01817	0.6
143.03383	3.1
143.10649	0.9
145.06502	1.2
148.36339	0.3
149.04446	0.8
149.09671	0.9
151.11157	0.6
161.04494	3.9
167.03343	0.5
167.10701	1.3
169.12346	0.4
179.05530	4.6
179.10585	0.7
191.14397	0.4
195.13760	1.4
195.15331	0.3
199.05983	0.4
199.50073	0.3
202.72813	0.3
209.11809	0.5
217.07108	0.7
221.06607	2.0
233.28018	0.4
235.08167	6.4
235.13129	0.4
245.06546	0.4
245.19063	3.8
251.16539	0.6
253.09166	0.9
263.07578	0.8
271.17053	1.0
275.19995	0.5
277.21698	59.1
278.22034	2.9
287.07712	1.8
287.16629	1.1
289.18069	100.0
290.18402	5.8
291.19684	1.8
291.22577	0.5
293.21277	0.5
305.08801	1.5
307.19101	4.8
309.20667	0.7
323.09866	1.3
327.21664	0.6
361.11270	0.4
379.12476	5.3
380.12650	0.5
397.13470	49.4
398.13684	2.9
415.14526	13.1
415.18835	0.3
416.14786	0.3
657.35242	0.5
669.31140	1.3
675.35767	1.2
687.32623	1.2
947.53510	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	965.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.9
69.58861	0.6
71.01247	16.0
71.15147	1.7
72.99178	1.1
73.02814	2.0
73.18724	0.8
81.03323	1.2
82.18002	0.7
83.01271	1.4
83.04906	1.0
85.02806	4.1
85.07073	0.7
87.00737	4.5
89.02306	14.7
95.01249	1.2
95.04917	0.9
96.95881	1.8
97.02837	2.3
101.02318	11.6
111.08033	7.2
113.02324	5.8
113.09601	0.8
119.03358	4.1
125.02312	5.1
141.01643	2.1
143.03427	2.2
146.45737	0.7
159.18381	0.8
161.04472	3.7
167.10686	2.3
175.02377	1.6
177.12837	1.1
179.05515	5.3
179.10693	1.6
187.79822	0.8
195.13824	12.2
221.06529	1.1
223.13290	4.6
228.13542	0.9
235.08151	4.4
247.20628	2.2
273.18665	1.1
275.20145	3.9
277.21878	1.1
287.07709	1.2
291.19635	87.6
292.20001	4.8
293.21204	100.0
294.21442	5.6
305.08710	1.5
323.09357	0.9
379.12357	2.3
397.13474	33.4
398.13751	2.4
415.14520	12.7
416.15421	0.8
671.32977	3.1
689.33954	7.7
690.34180	1.1
691.35748	2.1
851.39374	0.8
902.84424	0.9
965.54089	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.547
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99666	0.2
69.03318	1.0
71.01249	14.1
71.04888	1.7
71.06146	0.4
72.01573	0.2
72.99176	1.6
73.02821	1.8
75.00729	0.4
80.02534	0.8
80.69827	0.2
81.03329	1.6
82.95264	0.6
83.01269	1.6
83.04893	0.7
85.02816	3.2
86.72715	0.2
87.00749	3.4
89.02312	12.5
93.03289	0.2
93.06898	0.2
95.01269	1.1
95.04919	1.1
97.02826	2.1
97.06462	0.3
98.03603	0.6
99.00755	1.0
101.02316	12.1
106.04111	0.5
107.04885	0.4
109.02795	0.4
109.06468	7.5
111.00751	0.3
111.04399	2.7
111.08022	0.9
113.02322	6.7
115.03914	0.4
117.31403	0.2
119.03380	3.4
120.05691	0.3
121.02829	0.5
121.06450	0.4
123.00719	0.2
123.04347	0.3
123.08032	1.6
125.02335	4.9
127.07562	1.1
131.03392	0.6
133.04929	0.4
135.08034	0.4
137.02313	0.2
137.05920	0.3
137.09607	0.7
139.03906	0.7
139.07446	0.2
141.01764	0.5
141.09122	0.2
143.03401	2.4
143.10597	1.1
145.06490	1.3
149.04451	0.4
149.09573	0.7
151.11194	0.5
153.09149	0.3
159.07997	0.4
161.04471	2.9
163.11201	0.6
167.03442	0.3
167.10657	1.6
169.05067	0.3
177.09073	0.4
177.12791	0.4
179.05515	5.4
179.10678	0.9
181.12260	0.5
185.04518	0.2
191.14355	0.6
195.13853	1.9
207.17630	0.2
215.14247	0.3
217.07085	0.5
217.15883	0.2
221.06589	2.5
227.18112	0.2
235.08180	4.0
235.13318	0.6
243.17395	0.2
245.19087	4.6
249.14938	0.4
251.16479	0.4
253.09386	0.9
253.11591	0.3
259.08200	0.3
259.20593	0.4
263.07568	0.5
271.16965	1.4
273.14920	0.6
275.20172	0.2
277.21698	44.3
278.21979	2.8
287.07751	1.4
287.16522	1.6
289.18066	100.0
290.18408	5.8
291.19598	0.3
291.22791	0.2
303.19574	0.3
305.08804	1.9
307.19116	6.2
308.19427	0.5
309.20587	0.4
319.22769	0.2
323.09744	1.2
331.19116	0.8
361.11716	0.3
379.12390	4.3
380.13211	0.3
397.13464	32.8
398.13754	1.8
415.14511	9.2
416.14642	0.4
432.93951	0.2
493.24496	0.4
657.34717	0.2
669.31189	1.5
687.32178	2.3
900.17914	0.2
947.53296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	0.5
71.01239	0.8
71.35204	0.3
74.65053	0.3
78.47820	0.3
83.01257	1.1
85.02827	0.7
93.03336	0.7
101.02355	0.4
103.59642	0.3
107.01243	1.6
108.02042	2.0
109.02828	1.0
112.56263	0.3
121.02849	1.7
125.02298	0.6
125.28261	0.3
134.03612	0.3
135.00737	0.7
137.02357	0.4
139.04013	0.3
145.02844	0.3
148.01549	0.6
149.02353	0.5
150.03180	0.3
151.00276	6.2
152.01071	1.7
153.01807	0.4
154.61810	0.3
160.01506	0.3
161.02434	0.4
163.00255	1.5
163.22345	0.3
164.00981	0.5
169.01329	0.7
175.03885	0.8
178.99779	3.2
182.71797	0.3
182.78076	0.3
191.05562	0.5
193.05009	0.4
199.03859	0.6
207.92218	0.3
211.03976	0.6
213.01843	0.3
223.06201	0.4
226.02574	1.1
227.03461	1.0
229.04965	0.4
243.02945	5.5
244.03465	0.7
245.04462	0.4
254.02202	1.1
255.02940	16.4
256.03326	1.0
269.10205	0.5
271.02460	34.1
272.02945	2.8
293.04633	0.9
299.01950	0.7
300.02722	73.9
301.03421	22.4
301.08450	0.5
302.03760	0.8
343.04587	0.7
413.08984	0.4
425.35629	0.3
448.37714	0.3
577.15820	1.0
578.15527	0.4
609.14551	100.0
610.14874	12.2
637.90582	0.4
705.48737	0.3
803.20789	0.5
965.29034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53914	0.8
69.03321	3.7
70.87386	1.4
70.87723	1.1
71.01259	6.2
72.99178	0.8
75.00755	1.1
78.76344	0.8
79.01764	0.8
81.03319	1.2
83.01269	1.3
85.02808	4.9
87.00726	1.6
89.02310	2.7
91.01741	4.6
91.64571	1.0
93.03321	2.6
94.31008	0.8
95.01266	3.3
96.95882	15.0
97.02818	2.7
99.00754	1.1
101.02340	4.6
107.04880	0.9
108.02045	53.8
109.02837	23.5
111.00768	1.0
113.02332	2.6
115.00306	1.2
117.03327	2.8
119.04963	1.3
121.02818	2.6
122.03671	0.7
123.00747	2.0
123.04391	1.3
125.02312	7.2
127.00255	1.8
129.01822	1.6
132.02068	6.9
133.02863	7.5
134.03633	30.5
135.00772	6.5
135.02879	1.4
135.04391	4.4
137.02296	4.3
141.04021	1.1
145.02838	1.5
147.00708	0.9
147.04385	0.8
149.02353	5.4
149.05968	3.3
150.03140	1.8
151.00247	4.2
151.03860	2.3
152.01050	100.0
153.01839	44.3
154.02162	1.4
160.01569	35.2
161.02345	17.7
163.03865	2.3
164.04625	1.3
165.05453	0.8
167.03369	2.0
171.10211	1.1
175.00337	1.4
175.03911	41.2
176.04248	1.3
177.01845	31.7
178.02592	1.6
179.03400	3.3
179.07018	1.0
181.12193	1.3
187.15468	0.8
190.02617	2.9
193.04984	21.8
193.06737	1.2
195.06520	1.2
205.04973	2.4
207.10144	1.8
209.11815	1.7
211.13383	1.1
223.06071	3.3
225.11313	2.3
225.15121	0.9
227.12851	0.9
229.42012	1.0
243.06625	1.7
285.04095	4.1
285.06964	0.9
297.06229	5.0
304.19180	0.9
315.07355	5.9
323.07745	3.4
329.06509	1.9
337.09256	3.7
339.07181	1.1
379.10367	1.2
491.11932	74.8
492.12213	6.1
507.36609	1.1
515.12018	13.0
533.12860	3.4
559.10907	82.0
560.11371	5.7
643.12567	1.2
965.23645	3.0
965.51001	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	963.6867
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	0.5
69.52145	0.5
69.52541	2.6
71.01238	2.1
71.58892	0.4
72.99177	0.5
73.02811	0.5
75.00751	0.5
81.03335	5.9
81.46275	0.4
83.01273	0.6
83.04893	17.1
84.15202	0.3
85.02821	2.2
87.00737	0.8
89.02302	1.0
93.03355	1.9
95.01269	0.9
96.95877	2.3
99.00777	0.5
99.04403	0.5
101.02313	1.5
101.04650	0.4
108.02032	1.3
108.04398	0.8
109.02843	1.7
111.00774	0.5
113.02321	1.3
115.00278	0.5
119.04937	0.5
121.02853	1.1
122.06007	0.8
123.00755	1.4
123.04402	0.7
124.01528	1.6
125.02350	3.2
125.07093	1.0
126.02680	0.5
126.05439	0.7
129.01825	0.6
131.03387	0.5
132.01949	0.4
134.03662	2.2
135.04411	1.0
137.02367	2.1
140.03290	0.4
141.04095	2.6
148.07594	0.4
149.02341	1.4
149.05940	0.4
149.99487	1.6
150.03058	1.1
151.00266	1.9
151.03886	1.0
152.01027	1.9
153.01819	1.8
153.05502	0.4
155.03601	0.3
156.81013	0.4
160.01585	0.9
161.02373	0.9
161.04536	0.4
162.05518	0.4
163.03918	0.9
164.03342	0.4
164.04628	0.9
165.01793	0.6
165.05399	0.8
166.02582	0.4
167.02058	0.9
167.03403	0.9
168.00560	3.4
169.01122	1.6
173.04456	1.0
175.03894	1.4
176.00923	0.4
177.01880	0.6
178.02612	0.4
179.03412	0.7
180.04172	0.3
181.04892	1.0
187.03848	0.4
190.02631	1.7
191.03275	0.5
191.05565	1.5
193.05058	1.8
195.06598	0.7
205.03365	0.5
205.05074	1.4
207.14928	1.7
223.06073	1.5
224.17618	3.0
225.16040	12.7
242.18843	0.5
267.07123	0.5
269.04620	0.7
275.09222	0.4
284.03183	1.0
285.04004	2.8
290.22437	0.5
299.05664	0.6
300.02844	0.4
301.03555	0.4
303.09494	0.7
309.21716	0.5
311.05527	0.4
315.07291	0.6
324.26236	0.6
333.23019	0.7
341.29065	0.8
367.26926	1.0
405.81134	0.4
417.15411	0.5
433.31854	1.4
447.09531	0.6
450.34302	1.3
451.32892	8.3
452.33066	1.1
507.11191	0.6
515.08118	0.9
550.43317	0.7
567.45972	0.4
676.51245	0.7
677.49579	1.8
776.59686	0.6
840.28387	0.9
885.65912	0.9
903.66467	100.0
904.66797	22.2
931.30725	1.1
963.34570	3.3
964.34149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5377
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00821	0.3
69.03329	1.0
69.80933	0.3
70.45125	1.1
71.01247	14.9
72.99182	1.3
73.02819	2.1
75.00739	0.6
78.20380	0.3
81.03333	0.7
83.01261	1.9
83.04914	0.4
85.02824	3.8
87.00749	3.9
87.22480	0.3
88.51215	0.3
89.02311	11.9
93.03351	0.4
95.01280	1.3
96.95875	0.5
97.02843	2.3
99.00759	0.8
101.02314	12.0
109.02828	0.3
111.04436	0.5
113.02331	6.1
115.71092	0.3
119.03381	3.4
124.01520	0.3
125.02332	5.4
131.03398	0.8
133.04868	0.4
136.54799	0.3
137.02303	0.6
139.03903	0.5
141.01598	4.8
143.03438	2.0
149.04456	0.3
161.04462	2.9
167.03458	0.5
178.55588	0.4
179.05536	4.2
183.13831	7.0
184.14009	0.4
193.12326	1.7
199.06093	0.4
211.13326	100.0
212.13675	3.5
217.07068	0.6
221.06598	1.5
235.08188	4.6
253.09311	0.7
253.14445	0.6
255.15627	0.3
259.08234	0.7
259.20447	0.3
263.07602	0.7
275.20026	0.5
277.21698	44.9
278.22028	2.5
287.07733	1.5
305.08865	1.8
323.09915	1.5
327.21518	0.5
379.12408	11.0
380.12796	0.7
397.13464	37.5
398.13721	1.1
415.14496	6.3
415.19778	0.5
429.21545	0.4
591.26532	9.0
592.26910	0.6
609.27618	8.7
610.27612	0.9
657.35168	1.8
675.35626	2.5
869.48816	1.7
871.18811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	2.6
71.01247	15.4
71.05766	0.7
71.06074	0.7
72.99166	1.9
73.02807	2.6
78.43597	0.5
81.03305	0.7
83.01273	1.1
85.02816	10.9
87.00733	2.8
89.02312	15.4
93.79625	0.5
95.01263	1.5
96.95898	0.7
97.02824	4.6
97.06452	1.2
99.00757	1.1
99.93298	0.5
101.02322	12.2
111.04501	0.5
113.02328	7.4
119.03398	3.8
125.02321	5.2
125.09618	1.2
127.11192	1.4
137.09595	1.9
141.01631	0.9
143.03395	1.7
149.04436	0.5
161.04489	2.8
167.14421	0.6
171.10172	25.5
179.05518	2.9
183.13861	1.3
191.89143	0.5
193.12407	0.6
201.11310	1.7
209.11783	1.5
211.13332	9.8
217.07060	0.7
221.06683	0.8
221.11780	2.2
229.14395	7.3
235.08189	5.3
239.12813	1.1
253.09375	0.8
255.23262	37.0
256.23654	2.3
277.21643	1.0
287.07703	1.3
287.16333	0.8
291.19647	2.3
305.08707	1.5
305.17465	1.2
309.01779	0.6
309.20721	6.5
323.09866	1.1
327.21741	100.0
328.22092	4.6
397.13477	53.5
398.13715	2.0
415.14575	14.6
513.30481	0.6
565.44513	2.6
566.44604	0.7
620.77277	0.7
653.37311	6.0
707.35004	6.8
708.35303	1.3
725.36841	2.6
808.83685	0.7
963.58215	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	961.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.6
71.01249	16.6
72.99172	1.6
73.02812	2.8
75.00731	1.0
75.58075	0.4
81.03313	1.0
83.01234	2.2
83.04863	0.5
83.65981	0.5
83.68170	0.4
85.02826	5.2
85.99945	0.5
87.00744	3.9
89.02312	13.2
93.03351	0.6
95.01273	1.1
96.95860	0.7
97.02822	3.3
99.00765	1.1
101.02319	13.4
111.04438	0.7
113.02325	7.8
119.03403	3.2
125.02328	5.6
127.03889	0.5
131.03383	0.5
137.02325	0.8
139.03847	0.4
141.01738	0.7
143.03371	2.3
151.47896	0.5
155.10651	0.6
161.04446	3.5
167.03482	0.5
167.14264	0.6
179.05487	3.6
183.13782	7.5
193.12247	1.8
199.06099	0.6
211.13321	100.0
212.13672	3.5
221.06612	1.3
235.08151	5.4
253.09285	0.7
259.08337	0.7
277.21698	58.0
278.21991	3.5
287.07663	2.2
305.08743	1.7
323.09799	1.5
341.10129	0.5
354.21887	0.5
379.12399	13.2
397.13464	41.3
398.13678	2.1
415.14499	7.8
591.26306	7.8
592.26917	0.8
609.27643	5.8
657.34875	3.0
675.35767	6.2
676.36218	0.7
817.00983	0.5
869.48706	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	961.334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	2.0
71.01257	6.9
71.59414	0.4
72.99179	0.7
73.02821	1.8
75.00751	0.6
81.03333	1.3
83.01251	1.6
85.02817	5.6
85.28493	0.4
85.89693	0.4
87.00770	1.0
88.98688	1.8
89.02325	3.5
89.31749	0.4
91.01776	0.8
93.03342	7.9
95.01263	3.2
96.95896	6.2
97.02824	1.0
99.00765	1.2
101.02319	4.2
103.00259	0.4
106.06493	0.8
107.01256	0.6
107.04891	0.6
108.02054	64.0
109.02846	34.4
110.03217	0.8
110.20947	0.4
111.00726	0.9
113.02335	4.1
117.03423	0.5
119.03402	0.9
119.04929	1.2
121.02853	3.5
122.06087	0.5
123.00772	2.3
123.04439	2.3
124.01604	1.0
125.02345	3.7
132.02072	1.3
133.02884	3.4
134.03639	2.3
135.00793	4.1
135.04427	2.3
136.01553	1.0
137.02336	11.0
139.00253	0.8
139.03853	0.5
141.04056	0.9
145.02823	1.2
147.04420	0.6
149.02364	6.7
149.06033	0.7
149.99533	0.5
150.03102	1.2
150.05418	0.4
151.00282	1.2
151.03960	3.5
152.01062	67.0
153.01849	39.6
154.02219	1.3
160.01550	1.6
161.02338	1.4
161.04456	1.5
161.05872	0.5
163.03929	2.4
164.04659	4.0
165.01820	3.3
165.05424	1.3
165.67368	0.4
166.02608	0.6
167.03383	0.8
168.00555	1.4
169.01337	0.7
171.10207	0.4
175.00313	1.4
175.02475	0.6
175.03844	2.0
176.01083	1.9
177.01855	25.8
178.02290	0.7
179.03487	0.5
179.05496	1.1
179.07031	1.0
181.05005	1.0
190.02705	4.2
191.03302	0.7
193.05000	1.9
195.02957	0.6
195.06631	0.5
205.03271	0.7
205.05013	4.3
209.11862	0.5
223.06071	3.5
225.03955	0.7
267.07187	1.4
280.89819	0.5
283.06088	0.5
285.04037	2.1
289.07269	0.6
304.24579	0.4
315.07220	100.0
316.07629	4.2
331.06659	1.4
339.07202	36.3
340.07520	1.7
341.14087	0.7
373.26157	0.7
383.06186	23.4
384.06363	0.8
399.05707	0.6
401.07220	20.2
402.07425	1.1
439.19760	1.0
493.93338	0.5
521.20105	4.1
548.88928	0.5
577.26520	1.2
589.19196	2.9
623.32129	0.8
661.25311	0.5
682.05157	0.5
755.27325	1.1
755.71875	0.4
917.46063	0.5
961.32648	6.6
962.31873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	2.2
71.01257	4.3
71.36353	1.2
71.36697	1.1
73.02815	1.6
75.00726	1.3
81.03323	1.5
83.01259	1.5
85.02803	4.0
87.00761	2.0
89.02310	2.2
93.03350	4.2
95.01265	3.0
96.95895	8.6
97.02801	1.4
101.02338	3.1
107.04929	1.0
108.02056	84.4
109.02847	21.6
111.00755	1.7
113.02338	3.0
119.04936	1.1
121.02842	5.3
122.06011	3.0
123.00759	3.2
123.04414	2.2
124.01507	1.4
125.02353	4.5
132.02094	1.2
132.04456	0.8
133.02847	1.5
134.03639	3.3
134.06009	4.1
135.00764	2.4
135.04431	4.2
136.01546	1.1
137.02356	5.6
139.00276	3.3
141.04071	1.6
145.02786	1.1
146.06007	1.7
149.02351	5.2
149.05847	1.2
149.99515	1.5
150.03131	3.4
151.00287	0.9
151.02823	0.7
151.03908	3.4
152.01060	100.0
153.01865	20.8
160.01546	2.9
161.02309	1.9
162.05473	1.4
163.03929	4.6
164.04713	4.4
165.01823	6.1
165.05481	1.3
166.02534	1.2
167.03401	1.5
168.00560	3.4
174.05690	1.2
175.00262	3.0
175.03850	2.8
176.01097	1.2
177.01822	2.9
177.05391	0.7
179.03488	1.7
179.07033	1.3
180.04150	1.1
180.06653	1.0
181.01341	4.1
181.05017	0.9
182.99292	1.6
189.01833	1.0
190.02641	7.0
191.05588	1.4
193.04994	3.0
195.02852	1.4
195.06549	1.4
201.10286	1.0
205.04984	5.5
208.03648	2.3
213.10254	3.1
223.06125	6.7
224.06377	0.8
225.10080	1.0
237.10095	1.6
239.08220	0.9
239.11829	3.0
241.13466	1.2
249.05984	0.8
249.10338	2.3
251.08192	1.5
251.11850	2.0
253.09763	1.4
261.10275	1.0
263.08255	1.0
263.11853	1.2
264.09125	1.8
265.09842	4.8
267.11346	5.4
276.08813	1.0
277.09824	3.3
278.10620	1.8
279.07721	4.3
279.11099	5.0
280.08640	1.2
280.12100	2.0
281.12976	1.5
284.03305	1.2
285.04077	1.4
285.12451	4.3
289.09723	1.0
290.10580	1.2
291.07956	1.3
291.11353	2.2
292.08417	2.1
293.09363	5.7
294.09903	1.2
297.06168	1.6
305.09283	3.2
306.10086	3.8
307.10876	4.8
308.11768	2.6
309.12347	1.5
315.07248	14.2
317.09613	0.9
333.08688	2.4
335.10318	2.1
340.10947	1.5
351.09583	0.8
352.10736	1.5
353.11722	1.1
354.12473	1.3
356.13879	4.4
356.63770	0.9
357.14801	1.0
367.09863	1.1
368.14264	1.0
370.15552	2.4
372.13293	1.4
372.17514	1.4
382.11804	2.1
384.13165	4.1
384.17389	2.3
387.15854	1.0
396.13443	1.7
397.14197	2.1
398.15039	7.9
401.14349	1.0
402.18332	1.1
410.15085	1.2
411.15762	1.5
412.16663	2.6
416.15991	1.1
428.16284	0.9
430.17731	3.4
438.14664	1.1
444.15479	1.3
456.15619	9.6
469.55960	0.9
474.16733	12.8
475.17075	1.3
489.14990	0.9
492.17447	1.9
507.24091	1.3
535.24170	1.3
561.21503	2.2
579.22626	1.8
583.20251	1.1
591.24677	4.7
606.18219	1.8
614.17743	2.3
615.18060	1.1
621.18170	0.8
650.18048	1.2
755.23334	1.6
790.24463	10.2
822.27112	6.9
836.29645	3.7
895.30341	30.3
896.30994	4.9
927.33051	58.6
928.33441	6.7
959.35681	51.5
960.35590	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	955.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01757	1.0
67.89075	0.4
69.03332	0.6
69.24356	0.6
69.24756	4.4
71.01248	22.0
72.01582	0.4
72.99156	1.1
73.02817	8.2
75.00723	0.8
76.16190	0.4
76.29126	0.5
81.03334	0.6
83.01257	4.3
85.02817	12.8
87.00744	1.6
89.02321	2.3
91.01762	12.9
93.03327	1.3
95.01258	2.2
96.95872	1.6
97.02821	1.0
98.20577	0.7
99.00754	4.2
101.02316	16.2
107.60454	0.5
108.02031	1.0
109.02828	39.3
110.03147	0.5
111.00762	0.5
113.02325	12.1
115.53441	0.4
117.03387	0.4
119.03414	0.5
119.04888	1.0
121.02865	2.2
123.04405	1.7
125.02312	1.9
129.01796	0.4
131.03360	0.5
131.04948	0.5
133.02817	0.9
134.03633	1.1
135.00768	24.2
135.04385	1.6
137.02328	4.7
139.03900	0.5
141.04048	0.4
143.03355	1.4
145.02841	0.8
147.04398	1.6
148.01552	1.2
149.02292	1.3
149.05992	0.8
150.03084	1.4
151.00108	0.4
151.03862	1.6
152.00999	0.7
153.01836	23.3
159.02940	2.5
159.04149	0.7
160.01572	0.9
161.02336	1.4
161.04463	10.1
161.05823	0.8
162.03059	1.1
163.03886	1.7
164.04515	0.4
165.01906	0.4
165.05450	1.6
167.03410	0.5
169.12192	0.4
173.04604	0.5
175.03886	1.6
177.01814	1.8
177.05424	1.4
179.03474	0.9
179.05457	0.5
187.03941	1.4
189.05479	0.5
190.02513	0.6
191.03461	0.6
191.05499	0.8
193.04962	1.2
195.06490	0.5
205.05055	2.0
223.06154	0.6
229.97081	0.4
243.06737	0.5
268.12103	0.5
269.04352	0.6
285.03970	1.1
331.17599	24.0
332.18094	1.4
373.18637	22.1
373.22354	0.3
374.19006	1.1
417.17715	0.9
429.10321	100.0
430.10672	6.3
456.00247	0.4
508.00098	0.4
613.18121	0.5
645.22162	0.5
646.23206	0.8
955.33173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	0.8
69.32366	1.4
69.32785	2.8
70.33270	0.4
71.01250	19.0
72.99183	1.0
73.02813	19.8
75.00731	0.5
79.27395	0.4
83.01254	8.0
85.02828	3.8
87.00744	1.0
89.02311	8.1
94.64806	0.5
95.01230	1.0
97.02833	0.6
101.02316	24.5
108.02105	1.1
109.02833	0.6
113.02320	9.9
119.03402	3.8
125.02340	1.0
131.03392	3.0
134.03595	0.6
135.04442	0.9
143.03380	3.8
149.02525	0.5
149.04445	6.2
150.03073	0.5
151.00356	1.2
152.01050	1.2
153.01787	0.9
155.03389	1.1
160.56136	0.4
161.04456	9.7
164.04739	0.6
165.05482	0.4
168.00578	0.5
189.05501	0.5
190.02567	0.5
191.05492	1.1
194.26416	0.5
203.05437	2.0
221.06593	2.8
223.06175	0.6
239.46492	0.4
255.02942	20.8
256.03427	2.3
261.13477	0.6
268.03723	1.7
269.04453	2.8
283.02469	10.4
284.03241	54.7
285.03806	5.6
297.04016	7.0
298.04782	6.1
299.05579	73.3
300.05960	3.9
303.14438	1.3
323.05768	0.5
326.11008	0.6
341.06476	0.6
341.13779	1.3
431.09836	1.5
447.09354	0.9
477.10318	1.0
503.19250	1.1
521.12958	1.3
563.21362	0.8
607.16620	100.0
608.16901	10.1
608.25824	0.8
846.76392	0.5
955.30865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	13.9
71.57816	3.1
75.00735	3.1
83.04881	4.6
85.15214	3.0
87.00737	4.4
89.02304	11.3
96.95917	13.1
99.92453	5.9
101.02321	8.9
113.02328	6.5
116.92736	31.0
119.03375	6.8
125.02301	6.1
125.63792	3.0
129.01808	6.9
135.02975	3.3
143.03352	3.0
147.18823	2.8
161.04486	5.3
163.11217	3.6
170.47359	2.8
179.05542	6.0
209.11755	100.0
210.12166	4.8
227.12781	15.7
228.95204	2.7
235.08142	6.5
277.21667	46.6
278.22073	2.9
287.07721	3.4
299.34418	2.6
323.09836	5.8
379.12329	14.1
397.13486	50.3
415.14499	9.4
434.77612	2.6
553.10248	3.4
589.25018	10.9
607.26086	9.9
657.34503	5.0
675.36420	4.0
953.49603	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99680	0.1
69.03329	0.1
69.46055	0.2
69.46471	0.3
71.01250	0.7
72.99165	0.1
73.02805	0.1
75.00750	0.4
81.03327	0.8
83.01256	0.6
85.02826	0.7
87.00754	0.2
89.00214	0.1
89.02305	0.2
93.03333	1.0
95.01244	0.2
96.95896	0.2
97.02794	0.1
99.00751	0.3
101.02357	0.1
105.03314	0.2
107.01266	1.5
108.02054	0.1
109.02842	0.1
111.04384	0.1
113.02310	0.7
115.00221	0.1
117.03338	2.9
117.04182	0.1
118.03666	0.1
119.04914	0.8
119.08545	0.1
121.02808	0.3
123.04405	2.4
124.04842	0.1
125.02333	1.5
129.01852	0.1
132.01996	0.1
134.03583	0.1
135.04395	0.5
137.02301	0.2
147.00749	0.1
148.01553	0.1
149.02328	1.2
149.99454	0.1
151.00258	1.2
151.03857	0.1
152.01039	0.1
153.01840	0.2
155.04935	0.1
157.06406	0.1
159.04417	1.1
161.02307	0.7
163.03880	0.1
165.05450	0.2
166.04982	0.1
167.03404	6.7
168.03731	0.2
169.01270	0.1
169.05208	0.1
169.06477	0.4
171.04434	0.2
175.00243	0.1
175.02502	0.2
175.03883	0.1
177.01694	0.1
179.03461	0.7
180.05698	0.1
181.06519	0.4
182.03676	0.1
183.04440	0.7
184.04965	0.1
185.11693	0.3
187.07587	0.1
189.05484	0.1
190.02611	0.1
191.03452	0.1
195.04431	0.1
196.05190	0.4
197.06065	0.6
199.03935	0.3
201.05498	0.4
203.03291	0.1
211.03960	0.2
212.04628	0.1
213.05525	0.1
223.04135	0.1
223.06163	0.1
224.04695	0.2
225.05521	1.3
227.03352	0.3
239.03476	0.2
240.04262	0.4
241.04994	0.1
249.06123	1.2
253.05196	0.1
255.06508	0.1
267.02988	0.2
267.07156	0.5
268.03751	13.8
269.04523	100.0
270.04865	5.8
273.07657	10.6
274.07983	0.6
281.04489	0.1
283.06091	0.2
291.06796	0.4
297.07693	0.1
309.08279	0.3
311.05585	3.0
312.05917	0.2
335.05563	0.2
353.06662	0.1
368.64743	0.1
391.19666	0.1
413.08813	0.3
417.17209	0.1
431.09744	0.7
435.12860	1.5
435.18680	3.9
436.13571	0.1
436.19025	0.2
473.10849	17.3
474.11258	1.4
517.19135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	1.1
71.01254	16.6
71.06973	1.5
72.99187	1.5
73.02811	2.7
77.58408	0.6
78.49561	0.6
83.01260	1.7
85.02833	4.8
87.00745	4.7
88.00272	0.7
89.02316	14.6
95.01263	0.8
97.02829	2.8
99.00709	0.7
99.39294	0.6
101.02318	11.1
113.02325	6.7
119.03380	3.7
125.02322	6.4
130.09077	0.6
143.03380	2.3
145.90897	0.7
149.04456	0.6
149.08505	0.7
150.83295	0.6
161.04504	3.2
167.03307	0.5
171.10243	1.7
179.05544	3.3
195.13797	6.8
221.06592	1.0
223.13385	4.4
225.68912	0.6
231.21198	0.6
235.08125	5.4
253.09149	1.0
256.13135	1.7
258.52368	0.6
263.07468	0.8
275.20154	6.1
277.21704	46.1
278.22000	2.1
287.07822	1.4
293.21207	100.0
294.21512	7.5
305.08725	2.1
323.09814	0.9
379.12476	4.1
383.15219	0.7
397.13477	41.4
398.13760	3.4
415.14493	12.1
416.14749	0.8
675.35876	1.4
699.75128	0.7
781.10193	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.1
70.00407	1.1
70.00807	2.1
71.01254	15.0
72.99175	1.2
73.02804	2.2
73.91988	0.5
81.03323	1.1
83.01251	1.5
85.02818	4.1
87.00742	4.3
89.02313	12.7
92.04884	0.4
93.58417	0.5
95.01249	0.8
96.18901	0.5
96.43412	0.4
96.78059	0.4
97.02831	2.1
98.20435	0.7
99.00765	0.5
101.02317	10.8
109.02863	0.5
111.04432	0.7
111.08057	0.6
113.02324	7.2
119.03368	4.0
125.02325	5.3
131.03432	0.5
133.04956	0.7
139.03908	0.6
141.01888	0.6
143.03416	3.1
149.04449	0.8
159.40076	0.5
161.04494	2.3
177.12949	0.5
179.05516	4.0
179.14198	0.6
182.39391	0.6
183.13760	0.9
195.13803	7.0
196.14442	0.7
205.12360	0.6
211.13417	0.8
217.07065	0.7
221.06633	1.7
223.13364	4.8
228.13574	0.6
233.06700	0.5
235.08208	4.8
235.16997	0.8
249.54471	0.5
250.42726	0.6
256.13211	1.3
275.20154	7.3
277.21704	41.3
278.22061	3.8
287.07742	1.6
291.19687	1.2
292.20029	1.7
293.21207	100.0
294.21573	6.3
305.08856	2.2
317.21216	0.6
323.09708	0.7
379.12167	3.8
397.13483	28.2
398.13782	1.8
415.14520	12.9
416.15131	1.0
673.34393	1.2
691.35577	1.2
830.28290	0.6
919.39764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98228	0.4
69.39244	3.2
71.01249	3.2
72.00779	0.4
73.02813	0.5
75.00745	0.5
81.00807	0.9
83.01243	1.2
83.01698	0.4
85.02822	2.0
87.00750	0.6
89.02313	1.6
91.01736	0.5
92.41029	0.3
93.03324	1.1
95.01287	0.8
96.95876	3.5
97.00294	1.7
97.02801	0.5
97.66603	0.3
98.01083	1.0
99.00823	0.6
99.01873	12.2
101.02306	2.0
108.02052	1.8
109.02850	2.1
110.03478	0.6
111.01878	2.8
111.02535	0.4
113.02301	1.8
119.01229	0.6
119.04877	0.7
121.02832	2.3
123.04415	1.0
124.01500	1.4
125.02348	2.0
126.02939	0.7
132.02032	0.6
133.02800	0.6
134.03641	1.8
135.00797	0.6
135.04433	1.0
137.02338	1.4
139.01543	0.6
139.02502	2.4
140.03288	10.1
140.04361	0.8
141.04071	100.0
142.04396	1.4
143.89148	0.4
147.04379	1.4
149.02336	10.4
149.99458	0.4
150.03067	1.1
151.00264	1.6
151.03946	0.8
152.01064	1.8
153.01837	3.5
153.04047	0.8
154.02286	0.6
160.01576	1.1
161.02307	1.0
161.04456	1.0
163.03940	1.1
164.03598	0.4
164.04691	10.4
165.01831	0.7
165.04036	0.6
165.05402	1.2
166.02522	0.6
167.02005	0.8
167.03345	0.6
168.00565	0.9
175.00278	3.1
175.03870	1.5
176.01051	0.9
176.04616	0.3
177.01804	1.0
179.03471	0.7
179.07033	1.3
181.04996	0.5
185.19702	0.4
190.02623	12.8
191.03305	1.4
191.05441	0.8
193.04980	1.2
195.06572	0.6
197.04538	0.4
205.04997	12.6
208.02255	2.3
209.03044	1.5
209.11787	1.4
223.06055	13.4
224.06410	0.6
253.05005	1.4
261.07352	0.4
261.54062	0.5
267.07217	0.4
268.03717	0.8
269.04568	4.0
285.04025	1.6
286.04376	0.5
293.04459	0.9
303.09448	44.8
304.09702	1.2
323.05856	0.6
327.09634	0.6
329.06897	0.6
330.71835	0.4
333.56647	0.4
371.08401	21.1
372.08124	0.6
457.11319	0.5
509.15289	2.1
559.14447	0.6
563.24774	0.6
577.13983	1.4
577.26526	14.6
578.27399	0.8
631.23926	0.4
645.25665	5.8
646.25891	0.7
725.28717	0.7
743.29498	2.5
769.20416	1.4
949.35144	5.2
950.37665	0.6
955.54626	0.5
955.75031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99684	0.9
69.03310	3.6
71.01234	1.9
71.45007	1.4
81.03317	1.5
83.01238	1.8
85.02789	1.2
86.90137	0.8
93.03324	1.5
95.01257	11.0
97.02800	3.8
101.02348	1.0
101.15872	1.0
107.01273	1.8
108.02039	2.9
109.02847	6.9
119.04898	1.1
121.02815	2.3
122.06001	2.0
122.99902	2.0
123.00760	29.9
123.04398	2.0
124.01553	47.1
125.02332	61.3
126.02674	2.0
133.40457	0.9
134.03592	2.5
134.06006	1.1
135.00754	3.8
135.04430	0.9
136.01532	1.3
137.02341	23.8
139.03885	1.8
148.02470	0.8
149.02277	2.8
149.99481	58.2
151.00278	9.8
151.03777	1.6
152.00999	2.5
153.01816	6.9
153.50298	0.9
160.03899	1.1
161.02226	1.2
163.00316	5.3
164.04630	1.1
165.01894	2.3
166.02570	1.6
166.99779	11.0
167.03429	4.5
168.00548	100.0
169.01323	30.3
170.01599	1.1
174.05440	1.1
175.03738	1.2
177.01810	1.4
179.03415	4.1
181.01341	5.6
191.03461	1.2
193.01407	2.0
193.04912	2.8
195.02966	1.3
209.04343	1.0
211.02422	2.2
225.13916	2.3
237.10268	3.2
250.07411	1.3
251.08101	1.9
251.11824	2.7
263.11829	3.0
264.09134	2.3
265.09763	7.1
265.13351	2.6
275.11942	1.5
277.09766	3.3
278.10559	5.5
279.11230	3.2
281.12823	2.3
291.11359	4.5
293.12976	6.0
297.12543	1.2
307.10812	4.4
313.05594	4.1
315.06970	1.0
319.10834	4.4
321.12317	1.4
325.11908	1.8
331.06754	5.9
337.11804	2.4
367.06448	1.6
372.17477	1.1
385.07748	7.0
386.14902	1.4
633.17242	1.8
651.18439	7.0
652.18219	1.2
683.20520	4.8
773.26105	1.2
791.25250	4.1
823.27771	2.3
913.31531	46.9
914.31458	12.2
945.34082	58.6
946.34100	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	945.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	1.2
69.03341	4.8
71.01251	7.4
71.59730	1.0
73.02819	1.1
75.00741	1.9
81.03313	2.3
83.01242	3.6
85.02821	3.5
87.00733	2.0
88.54461	1.0
88.98648	1.1
89.02309	1.9
93.03342	5.6
95.01252	12.1
96.95892	8.2
97.02834	4.9
99.00748	2.4
101.02311	2.7
107.01254	2.6
108.02039	7.1
109.02259	1.0
109.02844	11.4
111.00729	1.0
111.04380	0.9
113.02309	3.6
118.17290	0.7
118.19745	0.7
119.04915	1.9
120.08063	2.4
121.02804	3.5
122.03604	1.1
122.05991	4.7
123.00770	29.9
123.04350	2.6
124.01554	41.0
125.02337	63.9
126.02608	1.5
132.02087	1.8
133.02824	1.6
134.03629	9.1
135.00775	5.6
135.04376	2.2
136.01563	1.2
137.02344	25.1
139.00311	0.8
139.03851	2.1
140.03233	1.0
141.04059	4.1
145.02841	1.2
147.04509	1.1
149.02354	4.9
149.05942	1.4
149.99486	61.4
150.03078	2.6
151.00288	8.3
151.03882	4.9
152.01057	6.3
153.01848	15.0
154.02213	0.9
160.01564	5.3
160.03926	0.9
161.02324	2.7
161.04449	1.3
163.00262	4.7
163.03874	2.4
164.04715	2.1
165.01796	2.4
165.05490	2.0
166.02580	1.8
166.99768	8.6
167.03412	6.3
168.00545	100.0
169.01334	30.2
169.02689	0.9
174.05437	1.1
175.00291	1.4
175.03915	5.4
177.01826	3.5
178.02599	1.3
179.03348	3.0
179.06967	0.9
181.01350	4.4
181.05022	1.2
190.02618	2.7
191.03354	2.2
191.05426	1.6
193.01385	2.2
193.05014	6.1
195.02917	1.3
195.06499	1.2
205.04965	2.7
207.02943	0.8
209.11746	3.0
211.02373	3.1
222.07970	1.5
223.06096	3.7
225.10042	1.3
225.13930	1.0
237.10321	3.7
239.11835	1.8
250.07222	1.8
250.11081	0.8
251.08223	1.2
251.11816	3.5
253.13298	1.0
263.08078	1.6
263.11807	2.6
264.08905	3.4
265.09744	8.1
265.13428	3.5
266.10294	1.1
267.14905	1.1
269.04398	1.5
270.05106	0.9
275.11899	1.2
276.08951	1.0
277.09851	3.7
278.10590	6.7
279.11435	3.7
281.12918	1.7
284.03314	2.3
285.04071	7.6
285.12473	1.1
291.11362	5.4
292.12210	1.2
293.12909	8.5
297.12341	1.4
304.08398	1.3
307.10913	4.6
313.05615	5.9
315.07169	6.1
317.37219	0.9
319.10907	5.5
325.11813	1.6
331.06705	10.2
332.06763	1.0
337.11798	3.2
339.07269	2.1
339.13425	1.8
344.14111	0.9
351.13525	1.0
358.15555	1.1
367.06482	2.1
372.13086	1.2
372.17218	1.2
383.06104	1.7
385.07593	7.7
386.14877	1.1
414.18311	1.0
415.18961	1.1
418.17804	1.0
427.13315	0.9
429.10391	1.1
462.13757	1.0
559.10956	1.3
581.24133	1.4
613.26703	1.8
631.27588	2.2
633.16547	1.1
651.18536	5.7
683.20770	10.3
684.21704	1.7
739.22192	2.2
773.23438	3.1
791.25458	4.1
805.26483	1.8
823.27710	3.5
901.44238	2.1
913.31445	9.4
945.33942	93.3
946.34113	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.6
69.88047	4.2
70.83211	0.8
71.01254	17.3
72.64645	0.9
72.99187	1.7
73.02807	2.2
75.00744	1.4
81.03335	1.8
83.01247	1.7
85.02818	5.6
87.00745	8.1
89.02322	7.9
95.01257	1.5
97.02822	11.1
97.06441	1.9
98.20544	1.3
99.00756	20.2
101.02309	9.0
109.06456	2.6
110.03576	1.9
111.00732	1.0
111.04359	0.9
113.02325	6.3
119.03392	2.3
123.08058	1.9
125.02345	8.1
125.09630	7.0
135.37807	0.8
136.05099	1.2
142.02628	3.9
161.04413	1.6
163.11186	11.3
179.05489	2.7
181.12276	23.8
197.11690	1.0
199.13275	3.4
207.10202	62.4
208.10484	3.9
221.06621	2.2
225.11276	100.0
226.11583	4.6
235.08163	2.7
239.13097	1.1
243.12366	35.8
244.12747	1.5
249.75410	1.1
263.07605	2.3
277.21732	49.5
278.22101	3.5
299.14990	1.6
317.16031	3.4
379.12381	1.9
397.13416	7.7
415.14514	1.3
461.20389	1.4
519.12433	1.0
551.51141	1.0
605.24567	25.8
606.25110	2.6
623.25525	26.2
624.25903	2.4
883.46979	84.1
884.47321	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	937.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.88006	3.2
69.88402	4.4
71.01254	5.4
77.75985	1.7
87.00739	2.0
89.02326	4.1
99.92467	11.7
101.02331	5.6
108.84756	1.6
112.69875	1.9
113.02325	2.4
116.92747	100.0
116.97092	4.8
117.92748	4.0
121.96339	1.8
125.02322	2.6
126.00047	1.7
161.04381	2.3
209.11926	2.4
211.13333	33.3
255.23421	1.9
277.21729	17.8
379.12463	6.6
397.13486	16.4
415.14981	2.9
591.26947	6.3
609.27521	5.9
621.24091	2.1
698.80859	2.1
849.73895	1.9
869.48828	3.7
881.84491	1.8
937.49017	16.3
938.50012	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	943.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	3.1
69.83267	1.4
70.86845	2.9
70.87187	1.3
71.01250	20.3
71.04871	2.8
73.02818	2.5
75.00728	1.7
79.81387	1.3
81.03332	1.8
83.01261	3.0
85.02812	6.0
87.00748	7.3
89.02325	9.7
95.01237	1.8
97.02822	12.6
97.06467	3.0
98.08414	1.4
99.00749	27.1
101.02316	11.7
111.04401	1.8
113.02332	6.8
123.08024	1.7
125.02312	8.2
125.09608	9.5
136.05168	1.9
142.02580	3.4
143.03387	2.2
161.04449	2.8
163.11166	13.5
170.72649	1.3
179.05557	1.6
181.12242	23.2
181.59392	1.1
199.13304	2.5
207.10190	67.3
208.10448	2.4
212.08640	1.2
225.11263	95.8
226.11734	3.4
235.08167	4.2
243.12320	32.4
244.12796	2.4
246.89050	1.2
277.21695	63.5
278.22037	5.5
278.98630	1.2
300.99731	1.3
379.12427	2.7
397.13321	12.5
415.14484	3.6
605.24426	21.3
623.25537	10.1
624.25946	1.5
630.91132	1.5
883.46924	100.0
884.46973	16.4
913.61249	1.6
961.35474	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	2.5
72.99181	0.7
73.02808	1.4
85.02827	1.5
89.02317	0.5
99.00682	0.4
101.02312	1.2
103.03854	0.4
117.03326	6.8
118.03687	0.5
131.01282	1.5
139.26900	0.4
161.02373	1.0
163.00203	0.5
163.03893	0.9
173.02321	4.2
175.00258	6.2
175.03973	0.4
229.73093	0.5
249.05542	0.8
265.05124	0.6
269.04507	2.6
281.04556	2.1
282.05341	2.5
283.06134	5.3
293.04544	100.0
294.04947	5.5
295.06125	1.0
299.61459	0.4
311.05606	11.5
311.11212	0.5
312.05945	0.6
314.04196	1.4
316.45786	0.5
323.05505	2.7
335.05569	0.8
341.06631	1.6
353.06555	0.8
406.11804	0.4
413.08743	21.9
414.09100	1.1
457.11264	2.1
493.91208	0.4
574.88568	0.5
577.15594	81.7
578.15881	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	937.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00187	0.6
65.03830	1.0
67.01740	0.9
69.03307	1.8
69.34814	1.4
69.35210	4.9
71.01247	3.2
72.99174	0.5
73.02802	0.7
81.03323	1.1
83.01244	1.7
85.02806	1.6
87.00762	0.8
87.94246	0.5
89.02343	0.7
91.01769	2.8
93.03354	1.3
95.01254	2.4
96.95866	3.0
97.02822	3.0
98.19792	0.9
99.00750	1.2
101.02316	1.2
107.01292	1.2
108.02052	2.0
109.02828	16.0
113.02322	1.6
117.03345	0.7
119.04911	1.4
120.58589	0.5
121.02831	1.4
123.00754	7.1
123.04394	1.1
124.01555	16.1
125.02330	54.5
126.02647	1.6
133.02869	0.6
134.03583	0.8
135.00764	8.3
135.04410	1.3
137.02353	3.5
145.02827	0.8
149.02325	2.1
149.99483	31.2
150.03152	1.0
151.00269	4.8
151.03845	1.4
152.01030	1.8
153.01828	16.4
160.01585	0.7
161.02318	1.1
161.04424	0.7
163.03845	1.6
163.76715	0.5
165.01865	0.9
165.05487	0.9
167.03426	2.4
168.00543	61.9
168.74950	0.5
169.01340	9.3
175.03902	0.9
177.01808	1.7
178.02606	0.7
179.03410	0.9
181.01360	1.2
190.02533	1.1
191.05501	1.1
192.00592	0.6
193.01291	0.8
205.05067	0.9
211.02428	0.7
243.03059	2.9
285.03918	1.5
313.05618	10.7
313.09250	0.4
314.06241	0.8
315.07181	1.2
321.08185	0.6
331.06674	100.0
332.07086	4.4
355.06668	0.7
399.05661	18.1
429.10349	4.6
555.66986	0.5
559.73590	0.7
562.09094	0.6
829.16742	6.4
830.17480	0.9
937.22070	10.5
938.23254	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	16.1
77.73682	4.4
87.00726	5.6
89.02312	10.7
92.39410	5.1
98.19782	15.4
101.02311	18.4
112.01074	4.4
113.02292	7.0
116.92725	20.6
119.03348	5.4
179.05441	6.6
211.13336	100.0
235.08249	6.5
277.21725	62.4
379.12341	17.4
397.13550	48.7
398.13629	5.1
415.14633	13.2
516.00439	4.9
562.34149	5.1
591.26733	10.4
609.28455	5.6
620.82257	5.2
628.69421	4.7
657.35681	6.4
675.35986	9.5
937.49390	42.1
938.49200	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	931.453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	5.3
69.88135	6.3
69.88553	2.9
71.01250	33.2
71.04884	1.9
72.99182	11.6
73.02831	5.5
75.00742	35.3
81.03311	3.2
83.01263	4.2
83.04893	3.0
85.02818	13.0
85.53628	1.4
87.00747	35.6
89.02319	10.6
95.01256	3.4
95.04887	2.6
96.95876	11.2
97.02846	5.0
97.06463	2.5
98.20465	2.4
99.00775	4.2
101.02322	12.5
104.38797	1.6
108.02046	1.8
109.02835	6.4
111.04439	1.9
111.08028	5.2
113.02338	8.5
115.00252	55.5
119.03440	2.5
121.02860	1.9
123.04438	4.4
125.02344	4.9
127.03899	4.3
129.01805	1.9
135.02913	3.9
135.08051	1.9
137.02319	1.9
139.00253	1.7
141.04042	2.2
143.03438	2.7
151.11157	2.5
153.12781	1.7
161.04482	2.4
165.12778	3.1
169.04979	4.1
169.12241	6.4
171.10176	31.4
172.10481	1.8
175.02388	100.0
176.02756	3.1
179.05537	2.6
179.10625	1.6
183.13899	1.6
190.02681	1.9
193.12248	3.6
195.13844	4.2
195.70520	1.5
197.11754	71.5
198.12039	3.1
199.13257	1.8
201.11302	2.6
207.10220	3.6
209.11771	16.9
209.57745	1.6
211.13264	9.9
214.95822	1.7
221.11873	2.7
222.93776	1.8
223.06100	2.7
223.13332	5.1
225.11215	8.8
227.12782	3.9
235.08171	3.3
235.13402	2.0
239.12901	6.2
241.10699	2.6
241.14406	5.6
245.11792	3.7
253.09210	9.0
267.12253	3.1
273.18750	2.0
285.13458	8.4
289.18146	4.1
291.19620	13.1
303.09674	2.0
307.18988	3.5
309.20691	30.8
310.21130	2.2
362.60153	1.8
397.13589	8.5
407.19058	2.3
415.14664	3.8
503.20984	3.0
521.22510	4.6
545.29645	3.7
590.89197	1.9
602.31885	1.8
725.37994	2.2
769.42230	1.9
791.42126	3.4
797.42059	1.8
809.39789	3.4
811.41150	4.6
813.42688	55.0
814.43457	8.6
835.41327	2.1
843.44287	2.3
853.42554	7.0
871.43170	5.7
913.44849	3.2
931.45300	29.2
932.44952	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	931.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
67.81533	6.3
71.01257	15.5
77.20056	6.9
83.04882	6.9
86.86812	8.6
89.02317	15.3
98.20546	18.8
101.02317	11.1
102.00489	6.7
113.02376	8.6
122.32967	7.6
123.01987	6.9
127.69685	7.1
143.15887	7.6
156.43010	8.2
189.23213	7.1
209.11792	100.0
222.61778	6.3
227.12871	19.0
229.28458	10.9
240.79472	8.2
255.23282	45.8
277.21936	7.3
359.98822	7.7
379.12521	21.2
397.13644	45.8
415.14670	11.3
635.37018	13.5
653.37390	12.4
781.98840	8.3
931.50574	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26678	3.1
69.27100	8.5
71.01250	11.3
72.99171	1.1
73.02808	1.2
75.00751	1.3
78.90092	1.1
79.51384	1.1
85.02821	7.0
87.00743	2.2
88.98684	1.1
89.02311	3.4
89.03822	1.3
91.01787	1.8
93.03334	15.3
95.01263	1.6
96.95904	6.2
98.20580	2.2
99.00746	2.3
101.02306	4.4
107.04891	2.0
108.02055	5.5
109.02835	5.5
113.02332	5.8
116.92708	1.1
117.03348	3.5
119.04915	3.1
121.02828	4.0
122.06023	1.2
123.04384	3.8
124.01497	2.8
125.02299	3.5
132.02060	17.8
133.02820	4.2
134.03629	87.4
135.00740	1.4
135.04340	4.5
136.01558	1.1
137.02344	24.1
137.05969	1.1
139.03870	1.3
141.04062	7.4
145.02914	1.1
147.00784	1.9
147.04376	2.2
149.02335	14.3
149.05992	13.7
150.03076	4.4
151.00212	1.2
151.03937	2.0
152.01039	5.0
153.01817	7.9
160.01566	100.0
161.02275	5.7
161.04440	1.2
162.03047	1.5
163.03922	3.6
164.04709	10.8
165.01820	2.5
165.05434	3.4
167.03412	9.3
171.10046	1.1
173.04477	1.5
175.00348	11.9
175.03917	95.2
176.00964	1.9
176.04274	3.1
177.01825	1.4
177.05426	1.2
178.02626	14.0
179.03400	2.4
179.07005	2.3
181.04921	1.8
182.60239	1.1
190.02634	30.4
191.03224	3.1
191.05521	4.2
192.04251	1.1
193.04982	80.4
194.05260	3.2
195.06564	1.6
205.05002	29.4
208.03627	4.5
217.05048	1.2
223.04468	1.2
223.06090	12.9
235.06100	1.3
237.10304	1.0
265.07251	1.6
267.07031	2.3
269.04547	4.9
283.10645	1.2
284.03287	1.7
285.04163	5.2
285.06873	1.4
300.02658	1.9
337.09192	3.8
339.07196	1.3
367.10300	13.6
383.11258	1.3
505.13382	2.6
561.16022	11.9
563.24945	75.1
564.25214	6.4
587.21307	2.8
593.26068	4.1
931.35760	41.7
932.35608	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	931.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00184	1.2
66.86057	1.0
69.36051	9.2
71.01243	3.2
83.01250	1.7
85.02827	7.1
86.31077	1.1
87.00765	1.4
89.02293	1.8
93.03316	4.4
96.95889	1.1
99.04388	6.2
101.02324	3.6
107.01258	2.4
108.02077	1.2
109.02819	2.4
113.02343	1.4
121.02840	1.1
123.04401	0.9
124.01575	1.1
125.02351	5.3
134.03583	2.9
135.04393	3.4
136.01495	1.3
137.02341	2.7
151.00288	8.0
152.01022	1.6
153.01868	1.0
160.06323	3.1
161.02309	1.2
161.04443	3.8
161.07103	10.1
163.00235	2.0
173.04466	6.1
175.03938	1.6
175.08711	8.0
178.99754	3.8
179.03403	3.0
187.08688	1.5
189.06625	28.3
191.01889	3.1
191.05530	9.7
201.10211	2.7
203.08221	12.8
203.11797	3.8
209.03012	1.1
227.03435	1.6
229.09789	6.4
243.02936	5.5
245.04402	2.0
254.02193	1.1
255.02931	17.9
256.03357	2.4
271.02454	40.2
272.02853	3.7
273.03217	2.0
274.03629	1.5
283.02441	1.2
284.03305	1.3
285.04062	4.4
293.10272	2.2
299.01987	1.1
300.02725	77.4
301.03406	36.5
302.03537	5.1
303.03891	2.3
304.04156	1.2
305.11426	18.6
306.11813	1.6
323.12463	68.4
324.12640	5.6
353.08820	1.2
365.13553	13.0
405.16531	2.1
437.37689	1.1
463.08795	100.0
464.09088	12.6
465.09262	6.2
466.09729	3.3
467.09879	2.8
467.16507	31.3
468.17133	3.3
479.08292	2.4
593.15167	2.2
621.71985	1.2
724.85449	1.1
882.24115	1.0
931.26489	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	929.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53143	0.6
69.03318	1.5
71.01252	19.4
72.99198	1.2
73.02808	3.1
77.95399	0.6
81.03323	1.3
83.01254	1.9
85.02814	4.8
87.00765	4.5
89.02327	12.9
91.02163	0.6
95.01254	1.7
96.95875	1.1
97.02832	2.6
99.00701	0.8
100.74487	0.6
101.02317	13.2
101.76443	0.7
113.02325	8.6
119.03381	3.6
125.02322	6.2
143.03426	4.1
161.04466	2.6
179.05527	3.2
183.13824	7.0
193.12329	1.9
211.13333	100.0
212.13654	4.4
217.06987	1.4
221.06606	1.6
232.29285	0.6
235.08189	4.8
253.09357	0.9
259.08041	0.9
277.21716	62.9
278.22058	2.5
287.07718	1.2
305.08716	1.7
323.09756	1.1
379.12387	11.6
397.13477	43.0
398.14056	2.4
403.38834	0.7
415.14606	8.8
591.26477	6.3
609.27704	3.2
637.97009	0.8
675.35675	3.2
844.43683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54329	8.6
69.54749	11.0
72.80656	2.2
81.45368	2.1
85.02831	4.6
85.07752	2.4
93.03342	4.7
95.04906	2.6
97.02838	6.1
109.02840	22.1
111.00791	2.5
123.04385	12.1
125.02332	100.0
133.02817	7.5
135.04384	7.3
137.02354	24.8
139.03906	4.7
149.02353	6.0
151.03912	15.4
161.02335	30.7
161.05923	5.6
162.03130	3.2
163.00302	3.4
173.04465	2.9
175.03912	8.2
175.80690	2.4
177.01833	8.0
179.03441	8.8
187.03938	7.2
188.04701	3.0
191.05533	45.9
203.07095	9.2
205.01357	3.2
205.04980	7.4
214.81528	2.2
217.04947	5.3
221.08078	4.4
223.89864	2.7
245.04456	6.7
245.08147	19.5
255.02997	12.0
256.03653	3.9
257.04602	2.9
269.04700	3.6
273.04086	3.6
281.04553	5.4
285.04111	5.9
287.05530	20.5
289.07169	85.4
290.07538	6.2
299.05576	6.7
339.08646	6.9
351.07571	3.2
353.08719	7.3
405.36758	2.8
407.07700	86.5
408.08020	8.5
425.08737	93.1
426.09100	8.1
451.10342	29.7
559.12476	7.5
577.04272	3.8
577.13507	75.8
578.13855	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	929.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99681	1.1
69.03317	2.9
71.01250	10.2
72.99164	1.5
73.02802	2.1
75.00738	2.5
80.31326	0.9
81.03336	1.6
83.01227	2.8
85.02809	6.8
87.00749	2.0
89.02334	4.6
93.03329	7.3
95.01243	3.2
96.95892	5.7
97.02830	1.9
98.19817	1.8
99.00718	1.5
101.02313	4.4
105.03340	1.1
107.04901	1.1
108.02045	81.1
109.02847	26.7
110.03127	1.0
111.00808	1.3
113.02319	5.5
116.92735	1.1
117.03377	1.7
119.03435	0.9
119.04896	3.0
120.08054	1.4
121.02859	6.6
122.03609	1.5
122.05986	3.7
123.00757	3.0
123.04369	3.3
124.01523	1.4
125.02317	4.2
129.01872	1.0
132.02074	1.8
133.02843	2.6
134.03638	7.5
134.06021	1.5
135.00769	1.8
135.04378	4.0
136.01601	1.2
137.02341	11.4
137.83849	0.9
141.04027	2.5
145.02864	2.2
146.06049	1.4
147.04443	2.0
149.02316	8.1
149.05951	1.8
149.99438	1.1
150.03105	7.1
151.00238	2.2
151.03876	4.7
152.01053	100.0
153.01849	23.0
160.01605	5.9
161.02271	3.4
161.04486	1.1
163.03862	4.4
164.04691	4.8
165.01808	7.1
165.05428	5.4
166.02644	1.5
166.04926	1.8
167.03362	1.9
168.00555	1.5
172.07372	1.0
173.04578	1.5
175.00285	2.5
175.02434	1.6
175.03854	7.9
176.01112	1.4
177.01845	3.7
178.02565	1.1
179.03290	2.0
181.01321	4.6
181.04890	1.3
182.02106	1.0
190.02652	5.8
191.03136	1.4
191.05569	2.6
193.01234	0.9
193.05043	5.0
195.02901	1.8
195.06557	3.6
205.05017	5.1
217.04942	1.9
223.06062	5.2
225.04031	1.2
225.13884	3.2
236.09491	1.4
237.10260	2.2
241.13452	1.2
249.10246	1.6
250.07257	1.1
251.11870	5.4
263.08224	2.1
263.11752	1.4
264.08923	3.7
265.09851	4.3
265.13397	2.9
267.07220	2.4
267.11386	1.2
275.11893	2.1
277.09708	3.5
278.10513	5.1
279.11282	2.7
284.03403	1.2
285.03955	5.1
285.12466	1.3
291.11337	7.6
293.09784	1.4
293.12906	7.8
297.06104	2.3
304.08408	1.8
310.09058	1.2
315.07263	12.7
318.10046	1.4
319.10764	6.1
323.13345	1.6
331.06784	1.5
335.06509	1.1
337.11948	5.3
343.12155	1.5
344.13916	1.2
346.15796	1.1
353.09665	1.0
358.15659	2.2
372.13239	1.4
383.12024	1.6
386.14911	3.1
391.13663	4.3
399.16135	1.1
400.16412	3.5
404.16107	2.1
418.17679	1.5
429.15033	1.1
437.94714	1.0
441.16989	1.8
444.15378	1.8
459.17966	2.5
515.08319	1.0
537.23932	1.3
597.23279	1.4
635.18549	4.5
734.25458	2.1
775.26215	6.3
861.34882	1.2
889.69434	1.2
897.32001	51.8
898.32257	8.5
929.34290	37.3
930.35107	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	929.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.33559	0.9
68.69604	0.9
69.03304	1.2
70.45572	1.9
70.45935	2.0
71.01237	5.4
72.20228	0.8
73.02830	1.8
75.00705	1.1
81.03315	1.0
83.01241	1.0
85.02815	5.4
87.00735	1.7
89.02319	1.3
93.03326	6.1
95.01259	2.4
95.04916	1.0
96.95872	2.4
97.02817	1.6
99.00739	1.9
101.02318	2.5
107.04845	0.9
108.02048	77.5
109.02132	1.5
109.02834	23.8
113.02309	3.2
119.04899	0.8
121.02866	5.3
122.03618	1.3
122.05966	3.1
123.00754	2.7
123.04443	1.4
125.02341	3.9
133.02817	2.1
134.03633	4.8
134.06024	1.7
135.00764	1.3
135.04391	3.6
136.01555	1.1
137.02341	6.8
141.04042	1.6
145.02882	1.3
146.06058	1.2
149.02322	3.1
149.05869	1.1
150.03096	4.5
151.00217	1.5
151.03870	3.7
152.01053	100.0
153.01851	26.3
159.61325	0.8
160.01540	3.2
161.02322	1.9
161.04539	1.1
163.03889	3.7
164.04671	2.4
165.01830	6.6
165.05482	2.8
168.00539	0.9
170.92398	0.8
173.04382	1.2
175.03934	3.8
177.01807	2.9
179.03329	1.0
181.01318	4.1
181.04962	1.1
190.02603	2.9
193.04907	2.8
195.06487	2.0
205.04958	2.5
215.11765	1.1
221.11044	0.8
223.06223	1.5
225.13942	2.4
236.09482	1.8
237.10233	1.6
241.68994	0.8
249.06006	0.8
251.11829	5.5
253.09644	1.2
263.11768	3.5
264.08969	3.1
265.09763	3.4
265.13434	2.9
266.10254	1.2
275.11841	1.8
276.09106	1.2
277.09598	4.3
278.10495	2.4
279.11359	1.9
285.04010	2.8
285.12320	1.1
291.11478	6.5
292.12033	1.1
293.12894	7.5
297.06113	2.4
304.08658	1.5
315.07193	13.0
316.07336	1.0
319.10773	6.0
337.11996	4.9
358.15503	2.1
374.18420	1.5
386.15033	3.8
391.13873	1.3
398.14975	1.9
400.16580	3.7
413.17102	1.0
414.18552	1.9
415.18793	1.7
418.17468	1.1
426.14578	1.0
430.85840	1.0
444.15421	1.2
459.17892	1.5
581.24078	2.1
635.19202	5.0
734.25311	2.5
757.25122	1.7
763.49463	1.0
775.25787	7.0
776.26166	1.1
853.33258	1.4
897.32092	59.7
898.32092	13.4
929.34344	44.2
930.34418	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	921.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
70.15093	7.1
71.01241	14.7
72.99165	1.8
73.02822	3.1
78.95773	1.6
83.01248	2.9
83.04899	2.7
85.02821	3.2
87.00774	4.7
89.02291	11.6
96.95876	2.8
101.02322	11.0
113.02323	5.3
116.92761	2.2
119.03391	3.4
125.02319	5.1
128.83057	1.6
141.02023	1.6
143.03403	3.7
161.04454	3.7
179.05539	5.5
209.11749	100.0
210.12080	4.8
227.12843	24.6
228.13162	2.0
235.08180	6.3
277.21707	55.7
278.22079	5.2
291.19861	1.6
305.08810	2.0
323.09781	3.9
379.12286	11.6
397.08344	3.4
397.13474	61.4
398.13974	5.0
415.14490	14.2
589.24921	3.3
607.26025	3.9
657.34747	2.7
675.35736	5.7
760.24365	1.7
768.00195	1.9
921.45789	18.8
922.47284	2.8
949.65717	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	921.506
Annotation	Unknow
Peak:m/z	Relative Intensity
65.56347	1.5
65.82240	1.2
69.03322	1.5
71.01256	13.8
71.04861	2.2
72.99182	2.2
73.02806	2.9
79.62556	1.4
83.01272	1.7
85.02819	3.0
87.00751	4.5
88.62056	1.3
89.02294	8.6
97.02834	8.4
98.19764	3.6
99.00752	19.3
99.92473	1.6
101.02310	10.5
113.02319	6.8
116.92762	12.2
119.03397	1.4
123.08068	1.4
125.02336	5.9
125.09599	4.7
135.08064	1.7
142.02620	2.0
148.02798	1.5
154.77838	1.2
163.11194	11.1
179.05606	3.2
179.94400	1.4
181.12260	19.3
199.13293	1.9
207.10199	44.9
208.10567	2.6
209.11661	2.7
216.79362	1.4
225.11264	79.1
226.11620	2.3
229.74219	1.8
235.08057	2.3
243.12329	25.1
255.23260	66.6
256.23581	2.8
281.24820	2.0
351.92734	1.3
379.12350	3.0
397.13394	8.9
415.14597	2.2
605.24469	20.2
606.25018	2.5
623.25238	7.6
861.48438	100.0
862.48724	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	923.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	33.4
87.00765	6.2
89.02307	11.2
96.95876	19.0
98.19801	19.7
98.95481	5.5
101.02314	17.6
113.02262	8.2
125.02375	7.9
135.05946	5.7
209.11745	100.0
210.12038	6.7
225.11086	6.3
227.12860	28.6
235.08224	7.9
255.23282	59.8
277.21719	6.0
281.25003	9.8
379.12231	9.7
397.13434	47.5
415.14255	8.8
437.16174	5.6
541.51727	5.7
607.26257	6.2
796.58533	5.6
923.43921	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	925.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99873	0.2
65.00183	0.4
65.50207	0.2
69.79026	1.2
71.01250	3.0
72.99196	0.2
73.02816	0.9
73.95496	0.2
83.01248	0.5
85.02823	1.0
87.00734	0.4
89.02321	1.8
93.03345	0.4
95.01303	0.3
98.19810	0.4
98.68366	0.2
98.80267	0.2
99.00779	0.2
101.02319	2.2
106.95485	0.2
107.01257	0.7
113.02315	2.3
117.03341	2.2
118.44022	0.2
119.03377	0.6
121.02807	0.2
125.02379	0.3
131.03349	0.3
135.04367	0.4
149.02304	0.6
149.04428	0.7
151.00241	0.4
152.01096	0.2
159.04349	0.5
161.02342	0.5
161.04465	0.8
169.06503	0.2
178.88301	0.2
179.05515	0.4
181.06496	0.4
183.04433	0.4
193.04803	0.2
197.05980	0.4
221.06529	0.3
223.17195	0.2
224.04524	0.2
225.05522	0.8
227.03487	0.5
240.04590	0.2
259.13834	0.2
261.13391	0.6
268.03708	2.4
269.04523	100.0
270.01907	0.3
270.04868	5.9
303.14413	1.7
311.05618	0.3
346.16946	0.3
347.17279	0.4
577.15570	18.4
578.15924	2.3
657.19330	0.2
677.71350	0.2
807.67865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.346
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03828	3.4
67.01763	2.0
69.58779	0.3
71.01239	1.5
71.59305	0.4
73.02818	0.4
75.00747	0.4
83.01238	0.4
85.02819	0.6
87.00736	0.5
89.02307	0.5
91.01757	2.0
93.03321	1.1
95.01272	0.4
96.95874	1.4
99.00716	0.3
101.02309	0.7
108.02053	1.2
109.02828	29.9
110.03168	0.4
113.02338	0.5
117.03350	0.3
119.04922	0.3
120.08070	0.3
121.02827	0.5
122.05991	1.0
123.00821	0.3
123.04400	0.2
124.01553	0.2
125.02306	0.5
132.02063	0.4
133.02866	0.3
134.03621	1.4
134.05963	0.3
134.34422	0.2
135.00771	12.8
135.04425	0.4
137.02298	1.7
141.04030	0.5
143.04381	0.2
149.02318	1.4
150.03072	0.3
151.00221	0.4
151.03900	0.5
152.01064	1.1
153.01831	100.0
154.02165	2.4
160.01567	0.8
161.02338	0.6
163.03946	0.5
164.04698	0.7
165.05482	0.4
167.03426	0.3
175.00267	0.4
175.03949	0.9
177.01819	0.6
179.03374	0.3
179.07114	0.4
190.02646	1.2
191.05504	0.4
193.05013	0.8
195.06740	0.3
205.05049	1.1
213.10323	0.4
223.06053	1.0
236.09622	0.3
237.10336	0.7
239.11855	0.3
243.06693	0.4
251.07991	0.3
251.11880	0.5
261.10345	0.3
263.08231	0.5
263.11874	0.4
264.09036	1.0
265.09933	1.1
265.12607	0.2
269.04553	2.7
270.04901	1.0
271.89130	0.2
275.16916	0.2
276.09143	0.3
277.09756	1.0
278.10468	0.7
283.10855	0.5
284.03323	0.4
285.04044	1.2
287.14120	0.3
291.11383	0.9
292.12189	0.4
293.13025	0.5
303.09546	0.3
315.07141	0.7
319.10925	0.7
344.14014	0.4
358.15756	0.4
359.16055	0.3
360.17047	0.2
372.13260	0.4
385.14151	0.3
386.14752	0.6
398.15228	0.5
399.15469	0.2
400.16782	0.6
414.18268	0.4
415.19000	0.4
418.17545	0.3
426.14557	0.4
427.14246	0.3
427.40933	0.2
441.17389	0.3
459.17792	0.4
515.08429	0.3
563.23053	0.4
581.23883	1.4
591.23596	0.3
599.25549	0.3
613.26660	0.5
743.29803	0.7
775.30267	0.3
885.43695	0.3
897.32037	6.6
898.33313	1.0
929.33893	2.0
930.35016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.231
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99673	0.4
69.03316	1.2
69.35934	3.1
71.01257	3.4
73.02803	0.8
79.01737	0.5
81.03335	0.9
83.01254	0.6
85.02821	4.0
87.00755	0.4
88.98672	0.4
89.02314	0.7
91.01766	2.6
93.03338	2.0
95.01247	2.5
96.95897	1.3
97.02829	0.8
99.00755	1.2
101.02320	1.9
101.84692	0.3
108.02046	57.5
109.02838	33.5
110.03135	0.5
113.02311	1.9
117.03391	0.4
119.04908	0.6
121.02851	1.6
123.00779	1.9
123.04393	1.6
125.02332	2.1
132.02057	0.9
133.02847	2.9
134.03609	0.9
135.00780	7.1
135.04411	0.9
137.02330	1.2
141.04070	1.0
145.02827	0.6
148.01549	0.6
149.02344	1.4
150.03069	0.9
151.03920	2.7
152.01050	65.1
153.01837	34.8
154.02211	0.7
160.01579	0.5
161.02327	0.7
161.04451	0.9
163.03937	2.2
164.04662	0.5
165.01805	2.9
165.05493	0.8
167.03406	0.4
168.00525	0.6
173.04448	0.5
175.00226	0.4
175.03940	0.7
176.01079	1.2
177.01840	22.6
178.02248	0.7
179.03505	0.9
180.04056	0.6
181.04962	0.8
190.02652	0.5
191.03369	0.6
191.05573	0.4
193.04974	1.0
195.02916	0.6
195.06544	0.9
205.04990	0.7
223.06169	0.4
227.03392	0.6
235.05952	0.4
258.16083	0.3
285.04010	1.1
297.06241	0.7
300.02618	0.5
301.03381	0.4
303.09271	0.6
309.08252	0.4
309.13101	0.3
315.07196	100.0
316.07535	3.9
331.06760	0.7
339.07169	31.8
340.07593	1.3
357.08136	0.7
358.09973	0.3
383.06158	23.1
384.06711	1.2
401.07214	13.6
402.07837	0.5
429.10324	0.8
447.11429	1.1
515.10248	0.9
595.21875	0.4
643.23871	1.5
813.17358	3.1
921.22388	9.1
922.23065	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	921.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03835	3.7
67.01768	2.3
69.03329	0.3
71.01256	3.2
71.59683	0.4
72.99184	0.5
73.02818	0.8
73.92485	0.3
75.00752	0.4
78.95791	0.3
83.01250	0.6
85.02827	1.7
86.34230	0.3
87.00761	0.5
89.02310	0.9
91.01775	2.7
93.03339	1.1
95.01257	0.7
96.95879	1.5
97.02814	0.3
99.00750	0.8
101.02335	1.3
108.02065	0.9
109.02837	49.9
110.03180	1.0
113.02362	1.7
119.04948	0.4
121.02843	0.7
122.03596	0.6
123.00748	0.6
123.04420	0.6
124.01568	0.8
125.02335	2.9
132.02101	1.3
133.02837	0.6
134.03624	2.0
135.00777	13.8
135.04385	1.0
136.01578	0.5
137.02341	2.1
140.96172	0.3
141.04077	0.6
149.02380	2.2
149.05928	0.4
149.99504	1.1
150.03136	2.0
151.00276	0.8
151.03954	1.5
152.01103	0.8
153.01842	100.0
154.02177	2.2
155.99394	0.3
160.01582	3.4
161.02287	0.8
161.04477	0.9
161.05899	0.3
162.03154	0.3
163.03886	0.8
164.04704	1.1
165.01846	0.5
165.05478	2.7
167.03401	0.6
168.00525	2.4
169.01276	0.5
175.00316	0.7
175.03917	4.0
176.04689	0.3
177.01846	0.9
177.05507	0.8
179.03407	0.5
179.05591	0.3
179.07048	0.5
181.04964	0.7
190.02612	2.3
191.05563	0.4
193.05005	2.0
195.06572	1.2
202.26260	0.3
205.05014	1.7
217.04988	0.8
223.06119	1.2
235.06270	0.4
243.06671	0.4
267.07275	0.4
269.04507	0.4
284.03363	0.8
285.04022	3.6
297.06262	0.5
315.07208	11.3
316.07654	0.6
327.08746	0.5
331.06665	4.1
332.07013	0.4
337.09222	3.5
339.08304	0.6
342.10870	0.7
357.13571	0.6
367.10300	2.2
369.13571	0.6
383.06149	4.4
399.05563	0.7
406.02460	0.3
429.10516	1.1
447.10980	1.1
505.19037	0.4
515.08838	1.5
533.16687	1.3
583.22076	0.5
618.04938	0.4
813.17712	0.8
921.23981	1.2
921.40570	0.9
953.97931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00192	0.5
69.03327	0.2
69.68728	0.5
69.69131	1.1
71.01248	1.1
73.02804	0.4
74.86932	0.2
77.76308	0.2
77.90044	0.2
83.01249	0.5
85.02805	1.1
87.00742	0.3
88.98692	0.2
89.02324	0.5
91.01748	0.7
93.03303	0.6
93.72785	0.2
96.95885	1.4
99.00716	0.3
101.02320	0.8
107.01241	1.0
108.02047	0.5
109.02826	2.7
111.00742	0.2
111.01907	0.4
113.02311	0.8
116.92696	0.3
119.03416	0.3
119.04899	0.4
121.02813	1.0
123.00753	0.2
123.04393	0.4
125.02327	1.0
132.02051	0.3
133.02837	3.0
134.03636	1.2
135.00754	1.6
135.04308	0.4
136.01613	0.3
137.02315	0.8
141.01698	0.6
141.04062	0.9
145.02840	0.3
149.02344	2.2
149.05934	0.5
149.99475	0.3
150.03099	0.9
151.00270	2.6
151.03883	0.4
152.01004	0.7
153.01830	2.8
160.01591	1.4
161.02289	0.7
161.04460	0.5
163.03879	0.4
164.04666	0.7
165.01799	0.2
165.05470	0.6
166.02647	0.3
167.03441	0.3
175.00299	0.3
175.03909	2.8
177.01857	0.4
179.03543	0.2
181.05000	0.4
185.05962	0.4
189.05443	0.3
189.66905	0.2
190.02606	0.7
191.03314	0.3
193.05057	1.0
195.06520	0.5
199.03903	1.3
201.01820	0.4
205.04996	0.6
209.11810	0.7
211.03854	0.4
213.05449	0.3
217.04935	1.1
223.04065	0.3
223.06073	0.8
227.03468	0.3
227.12685	0.2
229.05048	0.3
241.04994	0.8
243.02960	0.6
243.06525	0.3
255.02931	0.6
256.03745	0.9
257.04608	0.4
267.02866	0.4
269.04532	0.5
283.02237	0.3
284.03244	17.8
285.04013	100.0
286.04355	4.9
301.03125	0.2
303.09500	0.3
304.07916	0.8
305.08289	0.3
309.03973	0.9
315.07306	0.6
325.10431	0.2
327.04947	1.2
337.09216	0.8
337.63431	0.2
353.02908	0.7
372.06808	0.4
397.13373	0.2
447.09268	22.4
448.09531	1.7
471.09470	1.7
515.08258	73.1
516.08685	6.5
681.19006	0.2
921.33728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03835	3.7
67.01768	2.3
69.03329	0.3
71.01256	3.2
71.59683	0.4
72.99184	0.5
73.02818	0.8
73.92485	0.3
75.00752	0.4
78.95791	0.3
83.01250	0.6
85.02827	1.7
86.34230	0.3
87.00761	0.5
89.02310	0.9
91.01775	2.7
93.03339	1.1
95.01257	0.7
96.95879	1.5
97.02814	0.3
99.00750	0.8
101.02335	1.3
108.02065	0.9
109.02837	49.9
110.03180	1.0
113.02362	1.7
119.04948	0.4
121.02843	0.7
122.03596	0.6
123.00748	0.6
123.04420	0.6
124.01568	0.8
125.02335	2.9
132.02101	1.3
133.02837	0.6
134.03624	2.0
135.00777	13.8
135.04385	1.0
136.01578	0.5
137.02341	2.1
140.96172	0.3
141.04077	0.6
149.02380	2.2
149.05928	0.4
149.99504	1.1
150.03136	2.0
151.00276	0.8
151.03954	1.5
152.01103	0.8
153.01842	100.0
154.02177	2.2
155.99394	0.3
160.01582	3.4
161.02287	0.8
161.04477	0.9
161.05899	0.3
162.03154	0.3
163.03886	0.8
164.04704	1.1
165.01846	0.5
165.05478	2.7
167.03401	0.6
168.00525	2.4
169.01276	0.5
175.00316	0.7
175.03917	4.0
176.04689	0.3
177.01846	0.9
177.05507	0.8
179.03407	0.5
179.05591	0.3
179.07048	0.5
181.04964	0.7
190.02612	2.3
191.05563	0.4
193.05005	2.0
195.06572	1.2
202.26260	0.3
205.05014	1.7
217.04988	0.8
223.06119	1.2
235.06270	0.4
243.06671	0.4
267.07275	0.4
269.04507	0.4
284.03363	0.8
285.04022	3.6
297.06262	0.5
315.07208	11.3
316.07654	0.6
327.08746	0.5
331.06665	4.1
332.07013	0.4
337.09222	3.5
339.08304	0.6
342.10870	0.7
357.13571	0.6
367.10300	2.2
369.13571	0.6
383.06149	4.4
399.05563	0.7
406.02460	0.3
429.10516	1.1
447.10980	1.1
505.19037	0.4
515.08838	1.5
533.16687	1.3
583.22076	0.5
618.04938	0.4
813.17712	0.8
921.23981	1.2
921.40570	0.9
953.97931	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
70.33259	1.3
71.01254	100.0
71.57922	2.0
72.01573	2.1
72.99178	1.7
73.02827	4.5
75.17553	1.1
81.03365	1.5
83.01250	2.4
83.04925	1.9
85.02810	6.2
87.00755	5.2
89.02309	19.8
95.01250	2.6
96.95921	2.1
97.02837	5.6
99.00739	3.6
101.02323	16.6
109.06478	4.1
113.02331	9.0
119.03381	3.9
125.02310	7.7
125.09588	2.7
127.11162	3.2
137.09662	1.2
143.03409	2.1
149.04454	1.3
153.09067	1.3
155.10686	1.7
161.04462	4.2
163.11243	3.7
171.10179	45.0
171.11639	2.5
172.10509	1.6
176.31796	1.2
179.05542	4.1
181.12317	2.8
199.09703	8.8
199.13248	1.4
201.11250	14.3
207.10185	20.3
209.11600	1.9
211.13223	1.3
215.12881	1.6
216.02995	1.3
221.06660	3.0
225.11308	12.8
235.08138	7.4
243.12383	2.2
253.09158	1.8
263.07819	2.0
277.21710	64.9
278.22101	5.6
287.07715	2.0
379.12509	5.5
397.13461	37.6
398.13748	2.3
402.44730	1.2
415.14679	10.0
438.51550	1.4
516.30835	1.3
623.26233	1.5
634.18079	1.3
635.01593	1.3
644.77679	1.3
648.36841	1.3
675.35651	1.3
781.76410	1.3
857.45721	2.7
860.06976	1.3
883.46899	7.5
884.47815	2.3
901.47717	2.3
919.49164	14.5
920.50244	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	919.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18701	2.2
71.01249	100.0
71.57828	3.2
71.93127	1.9
72.99165	2.4
73.02808	5.4
80.91547	3.3
82.35635	2.4
83.01241	3.7
83.04885	5.4
85.02816	7.0
87.00718	6.1
89.02312	21.0
96.95873	10.0
97.02812	5.5
99.00759	4.2
101.02323	17.6
109.06461	8.5
109.15841	2.0
111.08012	2.9
111.71692	2.1
113.02336	11.0
113.45223	2.2
119.03377	4.4
125.02303	8.5
125.09584	5.2
127.11153	5.3
135.08043	2.9
143.03375	5.1
155.10648	3.0
161.04420	3.1
163.11172	5.4
171.10182	64.2
179.05603	4.7
181.08612	2.5
181.12192	3.8
197.11687	6.9
199.09683	17.8
201.11249	28.2
207.10208	27.3
221.06648	2.9
225.11246	21.4
235.08171	7.3
243.12355	4.4
253.09171	7.5
265.14850	2.5
277.21710	58.8
278.22043	4.5
291.19571	6.3
293.21030	2.9
309.20660	10.9
331.18573	3.3
351.74442	2.5
360.78891	2.2
379.12201	4.5
391.70468	2.3
397.13446	30.2
415.14423	10.6
537.85071	2.6
597.24023	4.5
605.23633	3.1
623.25458	3.4
857.45374	4.1
883.46564	10.8
901.48383	2.7
919.49518	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	42.0
71.57339	9.7
72.99178	10.2
78.03382	9.2
82.95269	37.2
83.88911	8.2
87.00755	17.2
88.98649	35.5
89.02293	19.5
91.00163	8.6
96.95872	81.9
97.02860	12.3
99.00741	21.5
101.02339	23.1
111.94136	8.1
115.00243	37.5
125.02377	10.9
139.98730	8.6
174.01643	13.3
175.02364	69.6
207.10130	26.3
209.11719	10.9
211.13336	30.4
225.11241	63.9
239.12727	17.3
255.23233	20.0
277.21713	82.0
397.13422	37.3
415.14282	13.7
605.24628	13.0
883.46912	100.0
884.48352	16.0
919.44818	70.8
920.45020	22.9
942.07446	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	919.491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03357	1.4
71.01254	100.0
71.58683	1.6
72.01582	1.3
72.99184	2.6
73.02823	4.8
75.00745	1.2
80.91548	1.7
81.03350	0.9
82.95282	0.9
83.01250	2.0
83.04894	1.1
85.02810	4.8
86.32962	0.9
87.00762	4.6
89.02319	15.6
89.51275	1.0
95.01274	1.8
95.04903	0.8
96.95885	3.5
97.02845	5.3
99.00764	2.5
99.04434	1.0
101.02321	14.7
109.02850	1.0
109.06438	4.5
113.02328	7.7
119.03382	3.7
121.02817	0.9
125.02348	8.3
125.09650	2.2
127.11159	2.5
137.09622	1.1
143.03418	2.7
153.09119	1.3
155.10721	1.0
161.04449	3.6
163.11247	3.6
171.10185	59.2
172.10472	1.8
174.52910	1.0
179.05548	5.5
181.12256	1.6
199.09720	10.9
199.13446	1.1
201.11267	16.0
207.10207	15.3
209.11771	2.0
215.12848	1.4
221.06584	3.1
225.11276	15.7
229.57513	1.1
235.08185	4.7
243.12311	1.6
253.09167	2.2
275.20090	1.2
277.21729	47.3
278.22086	2.8
287.07788	1.0
293.21240	10.9
294.21588	4.2
295.22357	2.2
305.08795	1.7
313.17987	2.0
323.09799	1.7
361.04025	0.9
379.12387	4.4
397.13498	26.7
398.13779	2.0
415.14502	9.5
544.33752	1.0
597.24060	1.5
605.24005	1.1
623.25452	3.8
857.44946	2.0
883.47400	6.5
884.46783	1.8
901.47046	1.6
919.49347	10.5
920.48755	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	919.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01242	22.5
71.29384	13.5
82.95276	15.7
83.90788	6.6
87.00741	15.9
88.98666	9.0
89.02306	9.8
96.95872	82.1
99.00734	9.2
101.02272	13.0
111.00768	7.1
115.00237	27.2
127.18266	6.0
139.00259	9.4
157.01311	7.5
158.74022	6.1
175.02409	46.9
181.12198	7.7
207.10110	33.0
209.11758	8.3
211.13303	11.5
214.98309	5.5
225.11249	63.6
243.12350	24.8
277.21777	44.4
397.13361	22.4
406.62357	6.3
605.24640	35.0
623.25610	31.3
686.86169	7.0
883.46967	100.0
919.44702	82.2
920.45123	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	919.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00187	0.4
69.24201	0.5
69.24600	2.4
71.01256	0.9
73.02817	0.3
73.65034	0.2
73.74052	0.2
75.04758	0.2
77.03826	0.4
79.01769	0.4
83.01261	0.6
85.02826	0.6
93.03320	0.4
95.03414	0.2
97.02846	0.5
98.19760	0.5
99.00706	0.3
101.02319	0.3
105.03346	0.3
107.01289	0.4
109.02826	1.3
113.02309	0.6
119.04891	0.7
121.02849	1.4
125.02325	1.0
133.01831	0.5
133.02835	8.9
134.03456	0.3
135.04391	0.9
137.02299	0.6
138.06747	0.4
147.04399	0.7
148.01543	0.3
149.02325	1.1
151.00291	0.5
151.03799	0.2
151.07552	0.3
152.08319	0.7
153.09093	1.6
161.02347	0.8
163.00285	1.2
163.03900	2.2
165.01851	1.6
173.02330	0.3
175.03915	2.5
177.01834	0.7
179.03342	0.4
183.07927	0.3
185.05977	0.3
191.03418	1.5
191.05495	0.6
193.01395	1.4
199.03940	1.0
201.01846	0.8
203.03477	0.3
205.12239	0.4
211.03923	0.8
211.07497	0.3
212.04683	0.4
213.05515	0.7
215.03545	0.3
223.13300	0.6
225.05464	0.7
227.03534	0.6
229.01453	0.3
239.03445	0.4
240.04247	0.7
241.04965	0.7
243.02754	0.4
251.03461	0.3
253.04977	1.0
254.05737	0.4
255.02950	0.6
255.06624	0.5
256.03702	0.4
257.04413	0.3
269.04626	1.1
271.06204	0.3
281.04523	0.5
283.02460	0.3
284.03247	7.4
285.04016	6.8
286.04401	0.3
297.04034	14.7
298.04761	7.3
299.05576	16.3
300.05847	1.0
309.04019	0.5
311.05603	2.4
324.02533	0.5
325.03506	1.0
327.05060	100.0
328.05411	5.6
339.05042	3.2
341.06607	0.8
357.06116	25.5
358.06332	1.3
365.06696	0.2
367.17639	2.3
369.06079	2.3
381.51825	0.3
385.18393	0.3
393.05716	1.1
411.07422	0.3
427.19629	2.8
447.09271	92.2
448.09610	5.9
471.15482	0.5
501.36465	0.3
758.79724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17910	0.4
70.22286	1.1
70.22704	0.6
71.01247	1.3
79.95600	0.9
82.79906	0.4
85.02785	0.6
87.00758	2.0
89.02322	0.7
90.45921	0.4
91.53203	0.4
96.95873	1.8
101.02321	0.7
111.08080	0.6
113.02325	0.5
165.01834	0.4
171.10155	1.0
177.12671	0.4
178.22279	0.3
179.14308	0.9
195.13828	7.4
196.14409	0.7
197.11816	0.8
205.12253	0.6
205.15939	0.4
209.11815	0.7
211.13322	1.5
223.13339	5.6
228.13528	0.6
256.13107	1.1
265.21494	0.4
275.20068	4.0
277.21719	1.5
293.21204	100.0
294.21518	7.1
309.20624	0.4
387.25223	0.4
397.13403	1.2
623.34167	1.4
917.46643	2.2
938.50470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50128	15.4
71.01250	17.7
71.89610	2.0
72.99175	3.6
73.02816	2.5
75.00750	4.7
78.95758	3.5
79.95621	1.9
83.04905	4.0
85.02829	4.8
87.00730	9.3
89.02327	14.1
96.95908	11.8
97.02845	3.3
99.00751	2.7
99.59809	2.7
101.02316	14.7
112.98679	3.6
113.02314	7.8
115.00222	2.8
119.03399	3.8
125.02315	7.6
128.08754	2.0
129.01845	13.2
130.02167	3.1
130.43860	1.9
135.02890	9.4
142.99767	4.5
149.41829	2.0
161.04385	3.2
163.11176	2.9
174.01607	8.5
175.02406	7.5
209.11763	100.0
210.12100	5.5
211.13295	13.7
227.12819	10.9
235.08134	5.4
253.09175	2.2
255.23212	2.5
259.15637	2.7
277.21704	65.4
278.21979	5.0
350.16202	1.9
379.12476	9.1
388.83328	2.1
397.13428	49.2
398.13763	4.2
415.14551	10.1
634.24768	2.2
650.32281	2.2
686.28650	2.3
707.43378	2.8
751.13037	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	917.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	15.4
71.57611	1.1
71.58026	1.2
72.99172	1.1
73.02807	1.6
75.00742	5.4
78.91790	1.7
83.01237	1.2
83.04918	5.7
85.02833	5.5
87.00754	5.6
89.02312	12.1
95.01308	1.6
96.95920	3.1
97.02855	3.3
99.00711	1.3
101.02309	9.5
113.02312	6.6
115.00284	1.6
119.03423	2.1
125.02349	4.9
129.00877	1.8
129.01825	26.5
130.02191	4.2
131.02344	1.9
135.02867	8.4
136.03215	1.3
143.03458	1.3
161.04457	3.0
163.11212	3.5
165.12767	1.9
165.60789	1.2
174.01492	1.3
179.05510	3.3
196.21906	1.3
209.11757	100.0
210.12111	4.5
211.13362	2.7
221.06615	1.4
227.12877	9.3
235.08200	3.5
248.31169	1.2
259.15533	1.4
277.21713	47.6
278.22147	3.7
287.07800	1.3
305.08731	1.3
331.51160	1.2
379.12317	8.6
397.13483	32.0
415.14554	6.8
427.96301	1.2
445.44986	1.2
462.12088	1.2
463.80206	1.2
583.19830	1.2
589.25421	1.8
685.65857	1.3
690.53003	1.4
696.02716	1.2
818.65967	1.3
848.54449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00967	0.3
69.03325	1.9
70.44965	1.0
71.01250	19.7
71.04919	0.3
72.99178	1.2
73.02814	2.6
75.00734	0.4
80.02534	1.2
81.03335	2.5
83.01247	1.8
83.04890	6.1
84.02029	1.0
85.02811	4.0
87.00751	3.3
89.02314	14.1
92.00974	0.3
92.84239	0.3
93.03329	0.6
95.01252	1.5
95.04890	0.8
96.95879	3.6
97.02818	4.1
97.06461	0.6
99.00780	1.1
99.96311	0.3
101.02319	10.7
107.04903	0.4
109.02808	0.4
109.06470	1.3
111.00761	0.4
111.04425	0.6
111.08044	4.9
113.02331	7.7
115.03909	0.5
119.03408	3.2
119.08530	0.4
123.04398	0.5
123.08043	0.5
125.02335	4.8
125.05997	1.1
125.09592	0.6
127.07543	0.5
131.03432	1.0
135.08029	0.8
137.09598	1.0
139.03915	0.6
141.01836	0.5
143.03421	2.7
147.11720	0.3
149.04468	0.4
151.11124	0.6
153.12729	0.9
161.04459	3.4
163.11194	5.3
165.12735	4.5
167.03377	0.4
169.12273	2.6
171.10188	2.9
173.59087	0.4
179.05528	4.8
179.10640	0.3
181.12247	1.9
183.13811	1.3
185.11615	0.4
191.10683	1.5
191.14363	0.4
193.12263	0.5
193.15877	0.5
197.11755	25.7
198.12070	0.7
199.13358	2.0
201.11354	0.4
207.10159	0.5
209.11760	100.0
210.12091	3.2
211.13312	6.9
212.13663	0.5
219.83507	0.3
221.06624	2.0
223.13197	0.8
225.11308	0.7
227.12827	15.8
229.14481	0.4
235.08162	4.8
245.06711	0.4
247.20590	1.4
253.09293	1.5
263.07758	0.7
263.20129	1.9
265.18045	0.8
273.18597	1.0
287.07727	1.3
289.18143	0.5
291.19650	24.8
292.20032	1.5
293.21167	1.2
305.08749	1.4
306.07843	0.4
307.18961	0.6
309.20700	78.7
310.21094	4.6
323.09863	1.1
325.20270	2.4
333.20764	0.5
379.12454	3.1
397.13480	38.6
398.13943	1.5
415.14560	15.0
416.14667	0.4
501.32028	0.5
589.24884	0.5
607.26172	1.5
608.26868	0.5
689.33899	1.2
707.34583	1.3
917.47650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87267	15.0
71.01257	19.3
80.34217	5.0
85.02818	6.7
89.02316	17.2
96.95874	17.9
97.02841	7.4
99.55952	5.2
101.02303	18.0
106.08131	6.2
113.02328	12.7
125.02368	6.5
143.03326	5.4
159.29291	5.8
166.79784	4.7
179.05652	6.1
195.13670	9.7
205.12334	8.5
223.13300	100.0
226.34552	5.2
235.08237	6.9
277.21689	70.9
309.20789	5.7
362.44510	5.3
379.12299	11.2
397.13483	61.0
415.14520	12.3
431.22183	5.7
603.26526	12.4
609.05975	5.6
621.27441	11.6
881.48602	16.7
917.46490	54.6
918.47833	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	915.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08776	1.0
69.03325	2.0
70.86841	1.7
70.87185	2.3
71.01251	17.3
72.99192	2.2
73.02814	2.7
75.00765	1.4
78.95786	1.2
83.01259	2.4
85.02847	5.3
87.00743	4.4
87.70255	1.0
89.02318	14.0
94.04839	1.0
95.01269	1.6
97.02831	3.1
101.02325	12.5
102.33049	1.2
113.02316	7.7
116.92741	1.3
119.03369	3.3
119.59128	1.0
120.47533	1.0
125.02318	6.1
125.49823	0.9
143.03419	3.7
153.12743	1.8
161.04443	2.4
169.12216	4.0
179.05524	3.5
191.05455	1.4
197.11761	100.0
198.12138	4.1
201.11499	1.3
221.06604	1.1
225.78230	1.1
231.82043	1.1
235.08240	4.9
277.21732	51.0
278.22028	4.4
281.73050	1.0
287.07651	1.9
305.08707	2.0
305.94330	1.1
379.12405	9.4
380.12927	1.4
397.13492	36.1
398.13748	2.3
415.14551	8.4
555.30939	1.1
569.29889	1.1
577.24841	4.4
588.67188	1.1
595.26154	3.8
619.06879	1.1
657.35358	1.4
675.35986	1.3
686.37030	1.2
725.73352	1.1
866.55103	1.2
915.45190	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00199	1.3
68.99654	1.2
69.32005	4.4
69.32432	4.8
71.01258	8.8
72.99178	1.2
73.02812	2.5
75.00733	2.1
83.01262	2.9
85.02829	7.3
87.00747	2.5
89.02306	3.3
93.03356	5.1
95.01263	2.1
96.95890	8.8
97.00314	1.2
99.00746	2.4
99.01875	4.4
99.04406	1.3
101.02316	3.3
107.01255	3.7
108.02074	8.7
109.02849	6.3
111.00724	1.0
113.02302	3.6
115.00265	1.2
117.03352	1.1
119.04913	3.0
120.08054	1.1
121.02822	2.6
122.06010	5.2
123.00756	2.5
123.04391	1.8
124.01570	1.3
125.02327	3.4
132.02061	3.3
132.35675	1.0
133.02840	4.6
134.03615	7.6
135.00697	1.2
135.04439	4.9
137.02359	5.0
139.02486	2.2
139.03915	1.2
140.03259	4.8
141.04082	37.9
145.02824	1.8
146.03712	1.5
147.04362	1.5
149.02336	6.4
149.05986	2.3
150.03085	3.7
151.00302	7.2
151.03918	2.1
152.01050	10.7
153.01854	7.5
160.01535	8.8
161.02400	4.8
161.04483	2.4
161.05928	1.3
163.03922	2.7
164.04669	3.3
165.01723	1.3
165.05396	2.2
166.02565	1.7
167.01999	4.5
167.03316	1.4
168.00648	2.0
169.01366	1.0
173.04585	0.9
175.00287	1.2
175.02478	1.9
175.03900	9.7
177.01743	2.1
177.05504	1.0
179.03412	2.7
181.04956	1.4
187.03972	2.2
189.05544	1.1
190.02609	3.0
191.03770	1.5
191.05511	8.8
193.01303	1.1
193.05040	6.2
195.06563	1.7
199.03917	2.0
201.79524	1.0
203.05800	1.7
205.04942	3.1
207.02969	1.1
211.03993	1.3
217.04950	1.3
223.06029	2.1
227.03363	2.7
237.10147	1.3
239.03644	1.1
240.04179	1.0
247.08536	1.0
251.08142	1.2
251.11819	2.7
255.02951	76.7
256.03592	8.0
257.04370	3.0
263.08228	2.2
263.11920	1.2
264.09067	3.2
265.09695	1.9
265.13409	2.6
267.07092	2.2
267.11447	1.3
269.04584	1.5
270.05341	1.2
271.02463	1.4
275.07974	1.6
277.09790	4.0
278.10529	4.9
279.11292	1.5
283.02481	35.7
283.10422	1.2
284.03253	100.0
285.04016	95.8
285.06821	1.6
285.12363	1.2
286.04327	3.8
290.10574	1.3
291.11343	4.0
292.12256	2.2
293.13013	6.9
297.04004	3.0
300.02652	2.0
301.03348	2.4
303.09448	21.9
309.04044	1.9
313.03577	4.6
315.07324	1.5
319.11011	2.7
325.03302	1.1
325.11969	1.3
327.05026	1.8
331.06821	1.3
331.17029	1.0
350.85437	1.1
358.15466	1.5
369.06216	1.4
386.15009	3.9
398.14862	1.9
400.16473	3.2
401.17566	1.7
413.17657	1.5
414.18201	1.5
415.18854	2.1
441.17212	1.9
445.09164	4.2
447.09302	3.5
458.17313	2.7
459.17670	5.0
463.08963	3.2
477.19000	1.5
515.08368	8.0
531.08075	1.2
537.24677	1.6
563.22687	2.7
581.23987	25.9
593.15063	58.8
594.15588	5.0
599.24994	4.4
613.26563	3.2
621.14191	2.4
631.28326	2.0
737.19342	18.7
738.20074	44.0
739.20526	14.7
740.21564	2.0
762.27643	1.4
763.28107	1.2
794.29315	1.3
849.36005	2.5
857.83325	1.2
867.32526	2.2
885.34076	22.8
899.26770	3.4
917.25836	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	915.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	0.6
69.12716	0.7
71.01244	4.6
72.99168	4.7
75.00743	22.4
76.29028	0.7
78.95770	0.7
83.01246	0.7
83.34602	0.7
85.02818	9.5
87.00754	3.3
89.02329	3.3
96.95881	0.9
97.02836	2.0
99.00738	0.9
101.02325	2.4
106.78479	0.6
111.00753	0.9
112.98732	0.6
113.02308	1.0
115.00246	2.8
117.01783	0.9
129.01826	100.0
130.02148	1.6
135.02884	42.3
171.10201	1.5
173.00734	0.7
173.39523	0.6
175.02386	3.5
195.13931	0.8
197.11743	1.6
206.99738	0.7
207.10202	0.9
209.11763	2.6
211.13307	1.1
229.31169	1.0
233.78128	0.7
239.12904	1.4
247.04533	1.5
261.10864	0.7
277.21750	6.1
414.06512	0.7
415.14206	0.8
477.33459	0.8
595.78418	0.8
707.20404	0.7
781.43689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01736	0.7
69.03320	1.5
70.73824	0.6
71.01250	21.3
71.04887	0.7
72.99166	2.4
73.02797	2.7
75.00748	2.6
78.91753	0.7
80.02525	1.6
81.03328	3.2
81.27650	0.7
83.01257	3.4
83.04891	6.1
84.02039	1.5
85.02805	5.1
87.00743	8.1
89.02309	13.2
94.40977	0.6
95.01261	1.8
95.04898	1.7
96.95871	4.0
97.02827	5.0
97.06445	2.3
98.19823	1.5
99.00747	1.7
99.04349	0.7
101.02325	13.0
109.02813	1.0
109.06469	3.2
111.04398	1.7
113.02321	7.9
115.00237	6.2
119.03381	4.3
123.04398	2.0
123.08014	0.9
125.02367	4.5
125.05965	1.0
125.09599	3.2
127.03888	0.7
129.98912	0.7
135.08014	1.6
137.09601	1.7
139.03847	0.6
141.01752	1.1
142.02562	0.8
143.03378	2.4
147.07994	0.8
151.03880	0.8
151.11188	0.8
153.12775	0.6
161.02187	0.6
161.04474	3.2
161.09601	0.9
163.11165	8.7
165.12724	3.7
167.10692	0.7
169.12187	0.6
171.10175	5.1
175.02370	10.1
177.12837	1.1
179.05528	3.4
179.10757	1.1
181.12259	2.9
183.13747	1.6
185.11716	2.3
189.12758	0.8
191.10739	1.3
191.14372	3.0
193.12250	0.8
197.11748	3.3
207.10204	7.9
209.11755	100.0
210.12083	3.6
211.13345	6.6
221.06593	1.8
223.13316	0.9
225.11292	4.9
227.12825	14.8
229.32515	1.0
233.11713	0.7
235.08153	4.7
237.11250	1.3
241.14615	0.9
245.19060	6.4
247.13356	0.8
251.12611	0.9
253.09250	1.9
263.07574	0.7
263.20145	2.8
270.05203	1.0
271.17126	1.0
285.07715	2.1
287.07666	0.9
289.18066	26.8
290.18536	1.4
291.19629	3.0
293.21271	3.7
305.08624	1.5
307.19122	28.8
308.19516	1.5
309.20715	5.0
323.09882	0.8
348.27579	0.6
379.12488	1.6
397.13467	28.8
398.13663	1.9
415.14520	9.8
416.15097	1.1
481.29630	0.7
515.12122	1.1
607.26184	2.4
687.32745	0.7
705.33392	1.3
742.65448	0.7
797.43524	2.7
799.37878	1.8
809.40784	0.8
879.43835	1.0
897.45941	2.8
915.46576	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	915.425
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00184	0.5
71.01247	1.0
71.58604	0.5
77.72840	0.4
79.53532	0.4
81.10613	0.4
83.01264	0.8
85.02814	1.7
87.00728	0.6
93.03325	1.3
96.95917	0.4
107.01273	1.1
108.02059	0.9
109.02827	1.0
113.02330	0.4
119.04911	0.9
121.02811	0.6
123.04392	0.6
123.60899	0.4
125.02315	1.7
133.02805	0.5
135.04396	0.9
137.02353	0.7
145.02913	0.6
148.01595	0.4
149.02344	0.6
151.00270	4.4
153.01778	0.6
161.02248	0.4
163.00284	0.8
163.03883	1.1
167.03543	0.5
167.66187	0.4
169.01390	0.4
173.04437	0.9
174.03210	0.5
175.02411	0.7
178.99744	2.6
190.02617	0.9
191.05534	7.7
199.03938	1.1
216.04153	0.6
226.02679	4.4
227.03468	2.2
227.07307	0.4
231.03017	0.5
243.02933	9.5
244.03371	0.5
254.02124	4.3
255.02925	4.8
269.04608	1.7
271.02454	47.0
272.03006	3.1
284.03036	0.4
285.04047	0.9
299.01947	1.3
300.02725	47.3
301.03430	11.3
302.03680	0.6
341.06479	0.5
343.04337	0.6
451.10098	0.6
451.16052	0.6
462.07877	1.1
463.08795	100.0
464.09073	5.9
577.15350	0.9
749.08392	0.4
756.37317	0.4
915.27252	1.2
916.29584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03304	1.4
69.28716	3.7
69.29141	8.1
69.37299	1.1
71.01249	31.5
72.99184	1.7
72.99585	1.1
73.02815	11.4
83.01241	5.9
85.02823	19.0
87.00751	3.4
89.02302	5.9
93.03368	1.5
95.01274	4.8
96.95870	5.1
97.02808	2.0
99.00748	5.8
101.02322	26.8
108.02068	1.7
109.02852	1.5
113.02325	18.9
119.03378	1.4
119.04927	2.0
123.00736	1.5
123.04443	1.5
124.01577	1.3
125.02353	3.1
134.03622	3.1
137.02325	2.5
139.00275	1.2
143.03380	1.4
145.02850	1.6
149.02328	1.8
152.01015	1.4
159.02895	2.4
160.01556	2.6
161.04477	9.9
163.03842	2.0
165.01913	1.3
168.00571	1.4
175.02513	1.9
175.03937	2.4
190.02647	1.9
191.05499	4.1
193.04932	2.7
207.22334	1.2
209.15430	6.7
223.05965	1.5
269.04535	2.2
285.04132	1.7
353.19666	29.0
371.20706	57.7
372.21054	3.5
413.21759	100.0
414.22101	5.9
636.43756	1.2
697.96790	1.2
915.28632	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52969	0.9
65.50623	1.0
66.00839	1.2
71.01241	7.4
71.38128	1.7
72.99161	1.3
73.02820	1.9
75.00741	2.2
81.00809	1.6
83.01255	2.2
85.02813	6.7
87.00753	1.6
89.02315	3.5
93.03317	4.4
95.01257	2.2
96.95892	6.5
97.00315	2.2
97.02789	1.5
99.00785	2.1
99.01873	13.4
101.02304	4.7
106.66351	1.0
108.02033	2.1
109.02840	2.9
110.03450	1.4
110.05999	1.8
111.00752	2.3
113.02365	5.2
119.04911	3.9
121.02840	1.5
122.05983	5.5
123.04366	1.7
124.01469	1.3
125.02328	4.0
134.03625	5.8
134.05997	6.7
135.04405	2.8
136.01501	1.3
137.02344	4.5
139.00209	2.4
139.02510	3.0
140.03294	12.4
141.04076	100.0
142.04448	1.6
144.04420	1.4
145.02840	1.3
149.02348	4.2
150.03119	3.0
151.00290	1.6
152.01099	2.1
152.04564	1.7
153.01813	3.5
160.01567	4.4
161.02342	2.4
161.04544	2.5
162.05583	1.7
163.03900	4.0
164.04720	2.1
164.32542	1.0
165.05440	2.2
167.02028	8.5
167.03328	1.9
168.00497	2.8
173.04437	1.9
175.03915	5.4
177.01848	1.7
178.02574	1.2
180.04213	1.4
181.05014	1.3
190.02621	3.3
191.03333	1.0
191.05531	6.0
193.05000	5.1
195.06551	1.0
197.11736	1.1
203.05754	1.9
205.04968	3.4
209.11777	2.1
213.10280	7.4
223.06062	2.6
225.10329	2.2
239.11877	3.5
241.13420	3.5
255.11385	1.2
256.12048	1.3
263.08270	1.9
263.11060	1.0
267.07254	1.6
267.08643	1.3
267.11380	10.7
268.03677	1.2
269.04636	2.2
284.03290	1.4
285.04019	2.5
285.08014	1.1
285.09375	1.3
285.12418	12.7
293.12869	1.6
303.09445	52.7
304.09348	2.1
311.10028	1.3
313.12238	1.8
314.13141	1.6
328.11157	1.3
329.15424	1.9
330.16113	1.7
331.06671	3.7
341.11664	3.0
342.12344	1.8
342.16141	1.4
343.13101	2.6
344.14053	2.4
353.10565	1.8
354.12375	2.4
355.13123	2.1
356.13986	14.3
357.14670	3.1
358.15381	2.0
368.14017	2.9
369.14734	1.7
370.15552	7.2
371.16315	2.4
372.12994	2.4
372.17160	3.0
382.11713	4.5
382.16022	1.6
383.12323	1.6
384.13409	5.8
384.17609	2.4
385.13513	1.2
385.17996	2.3
386.18564	1.4
389.12915	1.2
396.13486	4.1
397.14182	6.3
398.15048	23.6
399.15533	2.3
400.16370	1.3
410.14737	1.6
411.15860	3.6
412.16611	5.4
413.17313	2.5
416.15942	1.3
439.14960	1.1
449.15494	1.2
458.17242	1.3
463.17114	2.0
465.19092	2.3
477.18939	2.6
478.19864	2.4
479.21021	1.5
491.20880	2.8
492.21750	1.8
493.22281	3.9
507.23846	3.2
519.20361	2.2
533.21881	2.4
535.23413	3.2
537.21173	3.2
549.21057	2.6
561.21454	11.8
562.21844	1.7
571.21576	10.3
579.22424	80.3
580.22797	9.6
581.23676	1.5
597.23682	10.2
598.23761	1.4
613.26196	3.0
655.24298	1.5
742.25189	1.8
839.33594	1.4
841.31335	2.5
842.32782	3.4
865.31549	2.3
883.32562	59.6
884.33173	11.6
915.34595	14.7
916.36212	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	915.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40919	2.7
69.49693	0.3
71.01247	3.2
72.99178	0.6
73.02808	1.0
76.96084	0.3
77.85732	0.3
83.01257	0.8
83.80309	0.3
85.02816	1.3
89.02309	2.1
93.03304	0.6
94.65041	0.3
99.00861	0.3
99.04395	10.0
101.02324	5.4
107.01267	1.1
109.02818	0.7
112.24525	0.3
119.03345	0.4
125.02333	6.5
133.02859	2.1
134.03630	0.9
135.04475	0.4
143.03406	0.3
145.07600	1.8
149.02339	1.1
151.00282	2.8
159.09193	0.6
160.06302	4.9
161.02431	0.4
161.04460	5.8
161.07109	17.4
162.07379	0.6
171.09059	0.4
173.04414	0.5
173.07152	0.3
173.10713	1.0
175.03923	1.4
175.08675	13.1
176.09067	0.5
185.10767	0.6
187.08681	2.4
189.06618	41.0
190.06992	1.8
191.01974	0.4
191.05588	2.0
199.03944	0.6
200.04655	0.3
201.10236	3.5
203.08186	20.4
203.11813	5.9
204.08528	1.0
204.12019	0.4
215.07980	0.5
217.05023	0.6
217.09697	0.3
226.06262	0.3
227.03482	0.4
229.09755	10.4
241.04897	0.7
243.03070	0.4
245.09254	0.7
255.02951	0.6
256.03738	2.1
277.11945	2.6
283.02347	0.4
284.03253	36.8
285.04022	80.7
286.04413	4.3
287.10397	0.4
293.10419	0.7
297.03772	0.4
305.11404	30.6
306.11728	1.3
323.12460	100.0
324.12793	5.5
327.05191	1.1
365.13538	17.2
366.13971	1.1
405.16693	3.4
409.04276	0.3
447.09293	82.9
448.09619	7.2
467.16675	50.8
468.16971	4.4
795.23059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03866	1.1
69.03321	5.2
70.54177	1.1
71.01250	28.5
71.58003	2.1
72.99201	2.0
73.02818	4.1
74.86005	1.0
80.02532	1.4
81.03337	1.9
83.01263	4.4
85.02818	7.4
87.00738	5.4
89.02313	20.1
95.01263	2.6
95.04906	1.7
96.95893	3.9
97.02831	7.1
99.00771	2.5
101.02324	17.1
109.06503	2.6
111.04388	1.7
111.08034	8.3
113.02331	11.3
119.03381	3.8
123.08068	1.3
125.02337	7.2
125.09607	1.7
137.09608	1.3
141.01620	2.5
143.03374	3.1
153.12817	1.2
155.14259	1.1
161.04463	5.2
165.12759	4.1
167.10703	4.6
169.12244	4.2
171.10185	3.9
175.02402	1.4
179.05553	5.7
179.10695	1.9
179.14288	3.0
181.12228	2.0
181.45883	1.3
186.95166	1.1
195.13861	11.0
197.11743	44.5
199.13255	1.3
205.12280	8.8
207.10179	3.1
209.11786	3.9
211.13301	8.1
221.06563	2.4
223.13332	89.4
224.13733	4.5
225.11179	3.2
227.12747	2.4
232.70413	1.2
235.08192	4.6
247.20662	2.1
253.09323	3.1
263.20276	2.0
263.76736	1.2
273.18585	1.5
287.07596	2.5
289.18155	2.3
291.19650	28.5
293.21133	2.5
297.03778	1.2
305.08673	2.1
307.18985	3.1
309.20688	100.0
310.20963	6.1
323.09579	1.2
325.35098	1.5
327.21799	2.4
347.99734	1.1
349.56470	1.1
379.12402	3.0
397.13452	50.3
398.13876	3.6
408.43896	1.3
415.14560	17.4
573.12531	1.4
603.26837	3.2
621.27759	10.1
689.34174	3.9
707.34430	1.9
792.04291	1.3
805.70782	1.5
852.93121	1.6
913.46307	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	910.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15607	1.5
72.43967	0.8
96.63916	0.7
96.95908	0.9
99.05525	1.1
113.73618	0.8
128.03418	3.3
143.04543	3.0
146.04482	0.8
157.61787	0.7
158.09731	0.7
158.75993	0.7
166.90782	0.7
167.35048	0.7
173.37398	0.7
179.04550	0.8
180.99889	0.8
187.84407	0.7
226.08246	1.1
254.07819	1.2
272.08890	5.7
458.21088	2.3
459.21652	1.6
476.16696	7.2
477.17380	3.1
491.18884	2.9
517.22571	4.9
518.22784	0.9
535.18060	10.4
536.18402	2.5
549.19666	2.6
550.20428	2.2
605.21875	12.6
606.22015	1.5
637.24835	100.0
638.25122	18.1
744.47253	0.8
878.29175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00197	1.5
67.45559	0.5
71.58957	0.6
83.01259	0.6
91.70811	0.5
93.03378	0.8
107.01295	2.4
108.02061	1.2
109.02834	1.4
115.19568	0.5
121.02848	1.5
121.34228	0.6
125.02357	1.1
133.02846	1.8
135.00778	0.8
135.18324	0.6
137.02353	0.6
145.79387	0.5
148.01524	0.9
149.02307	2.4
151.00284	8.1
152.01129	0.5
152.99707	0.4
153.01802	0.7
163.00307	1.0
165.01854	0.5
169.01295	0.7
175.03941	0.7
175.84918	0.6
178.99782	3.3
187.03935	0.5
191.05585	0.6
199.03944	1.3
201.01961	0.7
203.03554	0.6
204.01442	0.5
211.04033	0.7
215.03456	1.1
217.05136	0.6
226.02612	0.6
227.03375	3.2
241.01364	0.7
243.02943	4.7
245.04442	0.7
254.02118	1.2
255.02966	11.6
256.03760	2.6
257.04309	0.6
270.01578	0.8
271.02457	27.6
272.02969	3.1
283.02423	0.8
284.03247	22.2
285.04031	50.4
286.04376	4.2
299.02048	4.3
300.02731	52.8
301.03516	42.5
302.03885	2.3
327.05243	0.9
447.09296	44.5
448.09647	5.7
461.07312	1.4
462.07962	3.3
463.08783	100.0
464.09158	6.7
597.09290	0.5
835.37109	0.6
911.29517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03824	0.7
65.50552	0.4
69.03307	0.8
69.33717	2.4
69.34139	1.2
71.01241	5.5
72.99164	1.4
73.02795	0.8
73.68977	0.3
75.00733	1.4
78.95775	0.6
79.95624	0.4
83.01244	0.9
85.02830	5.8
87.00758	2.2
88.98663	0.8
89.02307	2.0
93.03330	76.5
94.03660	1.6
95.01247	1.4
96.95898	3.1
97.02847	0.6
99.00731	1.7
101.02312	2.1
108.02034	1.0
109.02837	1.6
111.00758	0.7
113.02325	6.6
117.18125	0.4
119.04904	1.3
121.02825	0.8
122.06004	2.9
123.04445	0.5
124.01603	0.5
125.02367	1.9
129.01790	0.5
134.03613	1.8
134.05963	0.6
135.00720	0.4
135.04395	1.1
137.02338	100.0
138.02701	2.6
138.05463	0.6
141.04068	1.2
145.02782	0.7
149.02328	2.4
150.03142	0.6
151.00243	0.9
151.03909	0.6
152.01038	0.5
152.84654	0.4
153.01823	1.3
160.01552	1.4
161.02321	1.0
161.04446	0.4
163.03926	1.0
164.04703	1.4
165.01805	0.5
165.05486	0.8
166.02586	0.4
168.00574	0.5
175.00288	0.8
175.02490	0.5
175.03915	1.7
177.01781	0.4
190.02727	1.9
191.05475	0.9
193.03419	0.7
193.05028	1.5
195.06503	1.0
203.05818	0.5
205.05042	2.0
205.06895	0.5
209.11794	0.7
223.06133	2.0
236.09520	0.6
237.10344	1.0
238.19466	0.4
239.11771	0.4
241.13385	0.5
249.06119	1.3
251.08424	0.7
251.11961	1.5
263.08246	0.8
263.11728	0.4
264.09024	1.1
265.09857	1.6
265.13400	0.7
267.07193	14.9
267.11426	0.8
268.07672	0.4
269.04523	1.6
271.06430	0.4
277.09891	1.6
278.10672	0.9
283.11166	0.5
284.03229	0.5
284.06390	0.5
285.03961	1.3
285.12399	0.6
286.04477	0.6
287.14044	0.6
291.07303	1.6
291.11438	1.1
292.12268	1.1
293.09769	0.4
293.12924	1.3
299.07651	1.9
303.09500	0.8
315.07358	0.6
318.10010	0.5
319.10983	1.1
328.10864	0.4
331.06622	0.7
335.06165	3.1
342.12537	0.4
343.13156	0.7
344.13879	1.2
358.15594	1.7
360.17368	0.8
363.39600	0.4
370.11908	0.5
372.13272	0.9
372.17212	1.0
373.17596	0.5
384.13422	0.8
385.14200	1.0
386.14880	2.1
387.15558	0.7
387.19952	0.5
398.15149	0.7
399.15961	0.6
400.16687	2.1
412.16550	1.1
413.17502	1.0
414.18256	2.0
415.18927	0.8
418.17896	1.1
426.14621	0.8
440.16263	0.6
441.17056	1.3
444.14856	0.5
458.17245	0.6
459.17960	1.4
463.52505	0.5
473.19458	0.5
476.17953	0.5
535.77655	0.4
537.25439	0.6
545.24030	0.5
549.77820	0.5
563.22943	1.5
577.26196	0.5
581.24005	18.2
582.24365	2.1
583.25684	0.5
595.25739	1.0
599.24951	3.9
600.25415	0.6
613.26556	9.3
614.27301	1.1
631.27454	2.3
632.27844	0.4
673.29846	0.5
701.30225	0.5
725.28247	0.6
743.29205	8.0
744.29950	1.5
775.31921	5.0
776.31995	1.0
881.32465	7.4
882.33020	2.0
913.33356	2.3
914.35840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03810	0.3
66.00817	0.3
67.01744	0.5
67.91977	0.3
68.02404	0.5
69.65133	1.8
71.01261	2.0
72.00771	0.7
72.99143	0.4
73.02821	0.7
75.00735	0.3
81.00805	1.1
83.01243	0.6
85.02823	1.5
87.00721	0.4
87.35321	0.3
89.01864	0.3
89.02352	0.7
91.01760	4.1
93.03324	0.6
95.01244	0.4
96.01885	0.3
96.95878	0.9
97.00311	1.8
97.02789	0.3
98.01095	1.1
98.20603	0.5
98.27043	0.3
99.00803	0.7
99.01877	10.3
101.02390	1.4
107.01276	0.4
108.02019	0.5
109.02831	13.6
110.03479	0.3
111.01881	2.9
113.02330	1.5
119.04885	0.7
121.02824	0.8
123.00739	0.5
123.04387	0.8
124.01460	1.1
125.02342	1.2
126.02944	0.7
133.02786	0.5
134.03600	1.1
135.00771	9.1
135.04401	1.2
136.01064	0.3
137.02303	1.6
139.01495	0.4
139.02509	2.4
140.02257	0.4
140.03290	10.5
141.04074	100.0
142.04494	1.3
145.02855	0.3
147.04388	0.7
148.01532	0.4
149.02336	0.7
149.05881	0.5
149.99475	0.7
150.03058	0.7
151.00233	1.3
151.03885	0.8
152.01015	0.6
152.04558	0.3
153.00633	0.5
153.01842	7.4
153.03033	0.6
153.04028	0.6
160.01572	0.5
161.02449	0.4
161.04497	0.7
163.03893	0.5
164.03326	0.4
165.01808	0.5
165.04092	0.7
165.05463	1.1
166.01160	0.3
166.02457	0.5
167.02031	1.0
167.03360	0.5
168.00562	0.9
173.04446	0.5
175.03914	1.2
176.01083	0.4
176.04530	0.9
177.01848	0.6
177.05403	0.3
179.03511	0.4
180.04141	0.3
183.05119	0.6
191.05548	0.4
193.04999	0.9
195.06607	0.5
205.04990	0.7
208.02318	3.5
209.03081	1.7
223.06036	0.5
229.03600	0.3
258.03949	0.7
274.68988	0.3
285.08536	0.5
287.05621	0.6
288.06015	0.4
297.06216	0.4
301.03125	0.3
303.09454	51.6
304.09882	1.7
327.09418	0.6
329.07123	0.6
331.06610	0.4
345.10501	0.4
371.08401	25.9
372.08658	1.5
421.09921	1.8
429.10367	8.5
430.10547	0.6
447.11337	1.0
449.10751	0.6
453.10406	0.5
471.11496	0.8
489.08902	0.4
497.09503	1.0
515.10425	0.5
605.15442	0.8
637.57410	0.3
690.39764	0.3
801.19604	5.1
801.33240	0.4
802.19989	0.5
909.24628	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	905.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
68.95988	6.6
71.01257	28.7
73.02824	8.1
85.02824	10.6
87.00779	9.8
89.02318	16.0
98.19774	23.6
101.02334	19.0
113.02302	10.2
125.09663	6.1
155.10788	5.6
157.17290	6.2
161.04507	8.9
171.10150	13.3
183.13905	11.1
201.11340	7.2
207.10236	8.5
209.11772	14.0
211.13327	100.0
225.11371	7.7
235.08208	17.0
253.09256	13.0
255.23047	9.2
277.21689	96.8
278.22165	9.0
278.57809	7.3
281.24890	22.7
327.21738	22.2
379.12363	19.7
397.13376	43.9
415.14548	8.3
591.26471	17.0
609.27435	9.6
849.27295	7.6
905.47449	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02285	0.9
65.00213	0.8
67.01742	0.3
68.99725	0.3
69.03334	0.9
71.01261	5.3
71.59795	0.6
72.99197	1.1
73.02856	0.9
75.00748	2.3
79.05009	0.3
81.81316	0.3
83.01290	1.3
85.02831	3.7
87.00771	1.3
88.98714	0.5
89.02348	1.4
93.03371	1.4
95.01300	1.0
96.95907	2.6
97.02860	0.4
99.00760	3.0
101.02362	1.3
107.01273	1.7
108.02092	1.2
109.02850	2.8
111.00781	0.4
111.08086	0.5
113.02322	3.4
115.00281	0.3
117.01892	0.3
117.03328	0.4
119.03449	0.4
119.04961	1.1
120.24533	0.3
121.02871	1.2
122.03673	0.3
123.00797	0.5
123.04433	0.5
124.01594	0.8
125.02336	3.1
128.78732	0.3
129.01910	0.6
132.02090	0.9
133.02846	5.6
133.03801	0.4
134.03648	3.3
135.00778	0.8
135.04419	1.5
136.01488	0.4
137.02342	1.6
137.46214	0.3
138.05569	0.4
139.00262	0.6
141.01923	0.3
141.04105	0.8
145.02817	0.6
147.00725	0.3
147.04463	0.6
148.01472	0.4
149.02356	3.2
149.06015	0.9
149.99548	1.3
150.03140	1.3
151.00287	5.2
151.03944	1.1
152.01057	1.5
153.01851	2.5
157.01382	0.5
160.01567	2.2
161.02306	0.7
161.04449	0.6
163.03915	1.2
164.04738	0.9
165.01912	0.6
165.05498	1.1
165.12796	2.0
167.03535	0.4
168.00594	1.5
169.01376	0.5
175.00346	0.8
175.02458	0.6
175.03928	4.9
177.01892	1.0
178.02708	0.6
179.03358	0.8
179.06992	0.4
181.05066	0.4
183.13855	4.6
190.02647	1.2
191.03345	0.3
193.01311	0.4
193.05013	3.2
195.06613	0.7
199.03915	2.4
205.05042	1.2
209.11783	1.1
213.05493	0.4
215.03320	0.6
217.05025	1.6
223.06070	1.4
227.12827	0.7
235.06282	0.5
239.03349	0.4
241.05045	0.9
243.03006	0.7
243.06456	0.5
246.52672	0.3
249.06078	0.9
255.03049	0.8
256.03745	0.9
257.04523	0.8
267.07169	1.2
269.04608	0.4
284.03278	9.2
285.04047	100.0
286.04407	4.1
287.05441	0.4
315.07333	0.6
331.06638	3.2
337.09497	0.4
399.05655	0.7
403.13892	0.4
447.04077	0.3
447.09140	1.8
453.17270	0.4
459.18820	0.5
477.19659	0.5
515.08185	0.5
544.09210	0.3
621.24030	2.2
639.21082	2.7
731.26123	0.5
747.54529	0.3
761.30914	0.4
875.36121	0.5
889.28479	0.6
907.28540	28.4
908.28729	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	903.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	24.7
71.12946	3.0
72.99173	1.8
73.02810	3.7
73.11438	1.0
76.99165	1.2
81.03333	2.3
83.01241	2.3
83.04903	6.6
84.02013	1.4
85.02818	5.5
87.00734	5.8
89.02305	18.7
95.01237	2.5
95.04865	1.8
96.95889	2.5
97.02832	4.5
101.02321	17.8
107.59730	1.1
113.02332	10.5
116.92750	1.9
119.03384	5.0
125.02348	7.9
125.09624	3.8
127.11194	4.7
137.09592	1.5
143.03395	3.5
155.10626	2.1
156.24825	1.3
161.04451	4.5
163.11201	3.9
165.12755	2.5
167.03464	1.2
171.10168	9.0
172.10448	2.2
179.05539	5.1
199.09644	1.9
201.11241	85.2
202.11589	2.7
209.11754	100.0
210.12141	3.7
211.13338	2.4
221.06638	2.6
225.11273	4.3
226.11574	1.9
227.12843	11.8
229.95361	1.3
235.08176	6.4
247.13152	1.3
253.09219	1.3
277.21698	63.4
278.22104	8.9
279.22375	1.8
287.07703	2.2
293.21173	7.2
294.21631	1.8
305.08710	2.1
379.12292	8.2
397.13464	54.2
398.13736	4.9
399.13901	1.8
415.14456	15.4
416.14664	1.6
528.31628	1.3
581.24170	2.7
599.25360	3.5
607.25348	2.7
609.40808	1.4
675.35693	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	905.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03826	1.1
69.03300	0.4
69.26913	2.4
69.27322	0.3
71.01242	2.3
72.31632	0.2
72.99169	0.3
73.02800	0.7
75.00732	0.7
79.81069	0.2
81.03304	0.3
81.60795	0.2
83.01262	0.7
83.04906	0.3
85.02823	1.6
87.00724	0.3
89.02307	0.9
91.01758	1.7
93.03329	62.2
94.03668	1.2
95.01261	0.8
96.95889	1.3
97.02806	0.3
98.20569	0.5
99.00757	0.8
99.04382	0.4
101.02312	0.9
102.20653	0.2
107.01258	0.5
108.02041	7.7
109.02830	9.1
113.02308	1.8
119.04938	0.5
121.02788	1.2
123.04393	0.9
124.01512	0.3
125.02328	1.1
132.02098	0.3
133.02840	1.2
134.03618	0.9
135.00763	3.7
135.04390	0.8
137.02333	100.0
138.02678	2.5
141.08449	0.3
145.02827	0.2
149.02330	1.4
150.03131	0.8
151.00227	1.3
151.03877	0.7
152.01045	8.8
153.01836	8.0
160.01564	0.6
161.02345	1.0
161.04446	0.7
163.03856	0.6
164.04695	0.8
165.01785	0.4
165.05457	0.7
167.03326	0.3
175.00218	0.3
175.02534	0.3
175.03876	1.1
177.01840	3.1
177.05594	0.3
181.05026	0.3
182.88412	0.2
183.13913	0.3
190.02579	0.6
191.03325	0.2
191.05565	0.3
193.05075	0.7
195.06496	0.3
205.05061	0.8
223.06096	0.8
229.03424	0.6
243.06616	0.4
249.06093	0.3
267.07077	0.4
283.02563	0.3
284.03253	2.3
285.04031	8.0
286.04498	0.5
287.05734	0.5
299.07797	5.4
300.08163	0.4
315.07211	13.7
316.07510	0.7
323.07813	0.4
331.06726	0.6
339.07187	4.5
367.06656	1.5
383.06168	3.2
401.07248	1.5
403.12500	0.4
429.10315	4.9
429.15570	0.2
447.11102	0.4
453.10443	1.0
471.11658	1.0
497.09360	1.0
513.13037	0.3
561.16187	0.4
583.73309	0.3
597.14453	0.3
605.15204	1.0
613.26898	0.3
619.21899	0.3
659.14990	1.1
665.15210	0.8
861.22455	0.5
905.23425	2.7
905.40503	0.8
906.26141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.3
71.01254	27.5
71.04894	3.3
71.57887	1.3
72.99178	2.9
73.02817	4.1
81.03316	1.3
83.01238	2.9
83.04909	1.7
83.27406	1.0
85.02819	6.7
87.00758	6.4
89.02316	16.9
95.01273	2.0
95.65625	1.2
96.87463	0.8
96.95883	4.5
97.02825	8.9
97.06463	1.8
99.00750	16.0
99.92474	1.5
101.02321	16.9
109.06461	2.6
111.04425	1.2
113.02335	8.3
116.92751	9.3
117.92712	2.2
119.03376	4.0
125.02346	6.2
125.09640	6.1
127.11173	1.2
129.01872	1.3
131.03413	0.9
133.05019	0.9
135.81276	0.9
139.07600	0.9
141.01871	0.9
142.02591	1.1
143.03378	2.0
153.12718	1.5
161.04468	2.8
163.11174	10.3
171.10170	21.0
179.05536	3.4
181.12259	12.7
189.09109	1.0
197.11833	2.6
199.09697	1.3
199.13321	10.8
201.11226	6.7
207.10185	33.9
208.10564	1.4
209.11688	1.3
211.13321	2.1
215.12822	1.6
221.06624	2.2
225.11266	55.4
226.11597	2.1
235.08179	4.0
243.12350	11.6
253.09212	1.0
277.21701	60.2
278.22049	4.8
379.12384	4.0
397.13431	20.9
398.13742	1.3
415.14758	6.1
605.24390	3.6
623.25604	4.3
657.34839	1.3
698.59058	1.1
883.46826	14.0
884.47046	2.7
901.47955	100.0
902.48230	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	901.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27377	0.9
71.01250	1.6
71.02116	1.8
71.02449	1.1
85.02811	4.8
93.03341	3.5
94.83400	1.1
109.02827	1.1
114.33047	1.0
117.03358	4.0
119.04947	1.3
135.04405	2.3
149.02287	1.5
151.00394	0.9
161.02338	2.6
163.03946	2.4
171.02754	1.2
173.04527	2.3
175.03874	1.8
191.05534	35.2
192.05786	1.4
245.04454	1.1
282.05359	1.1
283.06058	2.7
284.03256	1.3
285.03952	1.4
293.49277	1.0
295.06158	2.0
296.06967	1.9
297.07657	14.4
307.05984	1.1
309.07611	1.9
311.05576	2.2
323.05786	3.1
325.07086	4.4
328.05984	2.4
337.09729	6.2
353.06662	26.0
354.07101	1.7
355.08066	1.2
365.06598	3.8
383.07730	18.2
384.07983	1.2
395.07629	1.7
413.08551	2.2
425.08768	2.5
443.09845	2.1
473.10745	4.0
533.43329	1.1
563.14020	100.0
564.14526	8.6
588.55310	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02256	1.3
65.00203	0.7
65.90809	0.3
71.01245	3.4
72.99169	0.3
73.02815	1.5
75.00741	0.7
83.01263	1.4
85.02821	3.1
85.87654	0.4
87.00739	1.3
89.02309	1.5
89.39422	0.4
91.01779	0.4
93.03339	1.5
95.01260	0.7
96.95879	1.6
97.02786	0.4
97.11182	0.4
98.20581	1.4
99.00750	1.0
101.02336	1.2
102.24462	0.4
105.03336	0.6
107.01265	2.3
108.02036	1.1
109.02860	2.4
111.00750	0.8
113.02305	2.1
117.03323	0.4
119.04877	0.6
121.02837	1.4
123.04408	0.9
125.02331	1.3
129.01810	0.6
132.02060	0.5
133.02850	6.0
134.03618	1.7
135.00743	0.5
135.04416	0.8
137.02318	1.0
145.02827	0.8
147.00766	0.5
147.04462	0.4
147.97346	0.4
148.01617	0.4
149.02351	3.5
149.06050	0.6
149.99608	0.3
150.03120	0.9
151.00264	4.3
151.03879	0.6
152.01054	1.3
153.01830	1.8
155.03380	0.4
160.01526	1.4
161.02361	0.6
161.04462	0.6
163.03886	0.6
164.04681	1.2
165.01822	0.6
165.05496	0.7
166.02606	0.4
167.03387	0.5
173.04396	1.1
175.00298	1.4
175.03893	3.4
176.00999	1.3
177.01810	0.7
179.03348	0.5
185.05978	0.6
190.02664	3.5
191.03423	1.6
191.05525	3.0
193.04964	1.2
193.57597	0.4
195.06509	0.4
197.06029	0.6
199.03915	2.5
201.01830	1.2
201.05440	0.4
205.05016	2.2
205.12178	0.4
211.03993	0.6
213.05356	0.4
215.03503	0.6
217.05005	1.2
223.06131	0.9
223.13281	0.4
230.25099	0.4
241.04991	0.9
243.02916	0.7
249.06001	0.7
255.02940	1.4
256.03659	1.2
257.04538	0.8
267.07092	0.7
283.02530	0.7
283.98538	0.5
284.03253	23.2
285.04019	100.0
286.04361	4.3
299.05576	22.8
300.05887	1.4
315.07251	0.6
327.05063	0.7
447.09134	0.7
489.10229	0.7
519.59222	0.6
563.25330	0.4
653.15326	1.1
695.16119	62.6
696.16351	7.5
857.22028	1.2
901.37964	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	899.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01242	15.5
75.00736	27.7
87.00732	3.8
89.02319	13.1
101.02314	10.0
113.02328	10.8
125.02319	7.7
149.80611	4.0
154.75285	3.7
179.05600	3.8
209.11774	100.0
209.13744	5.0
210.12120	5.2
221.11417	4.3
223.80942	3.4
227.12849	23.1
229.67056	4.1
235.08167	7.1
241.14192	3.9
255.23233	43.1
277.21643	11.5
278.21872	3.5
297.03522	3.7
305.08755	3.8
350.25610	4.0
372.92252	4.2
379.12344	13.8
397.13422	65.8
398.13849	4.8
415.14392	10.4
589.25299	7.0
635.35980	7.5
653.37085	5.5
825.63092	4.5
899.47845	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	899.464
Annotation	Unknow
Peak:m/z	Relative Intensity
63.87215	0.6
64.99729	0.6
69.03308	1.2
70.15413	2.5
70.15816	1.4
71.01252	25.6
72.49200	0.9
72.99174	5.5
73.02821	2.3
75.00742	19.2
77.81816	0.7
81.03312	1.8
82.66537	0.6
83.01244	2.0
83.04891	1.3
85.02823	7.1
87.00745	39.4
89.02305	3.0
95.04893	1.2
97.02813	4.6
98.16412	0.7
99.00779	1.6
101.02336	6.0
109.02851	3.7
109.03501	0.7
109.06363	1.0
111.00771	1.4
113.02332	3.7
115.00250	60.7
115.03883	1.6
116.00623	1.2
119.03423	1.3
123.04410	2.7
125.02305	1.6
127.00234	1.6
127.03899	4.9
127.11279	0.7
129.01819	1.5
135.02850	2.2
139.00272	0.9
143.03360	1.7
145.06429	0.7
147.02896	0.7
157.01323	0.7
161.04454	1.3
169.04930	2.5
169.12206	3.4
171.02902	1.5
171.10176	23.9
175.02386	100.0
176.02724	2.3
179.10789	1.2
183.13867	1.2
193.12308	1.4
195.10130	0.7
195.13864	1.1
197.11752	18.7
207.10268	1.8
209.11769	2.5
209.15439	1.4
211.13321	6.4
213.14799	0.7
221.06586	0.9
221.11839	2.4
223.09641	1.4
223.13348	2.3
235.08099	1.7
235.13371	1.4
239.12875	2.8
241.10750	1.3
241.14352	4.5
245.11850	2.2
251.12714	1.5
253.09239	4.2
253.14481	1.1
254.09644	1.4
263.12894	2.9
267.12369	3.0
277.21701	29.8
278.22076	2.0
281.13773	1.0
285.13443	7.1
291.19604	2.2
292.19989	1.0
297.13354	1.4
309.20758	3.7
310.21082	2.5
311.21320	0.8
397.13617	2.2
415.14716	1.0
438.76166	1.1
503.21439	2.7
510.85684	0.9
521.21997	4.1
558.82593	1.0
737.42303	1.3
779.41724	1.1
781.43835	18.4
782.44263	3.2
793.43658	1.7
803.42224	1.6
821.43597	3.4
839.44873	2.1
881.45911	1.3
899.46448	16.8
900.47186	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	897.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47403	1.4
66.71790	1.6
69.87894	8.1
71.01250	6.4
73.02834	2.4
83.04881	1.8
84.02029	4.6
85.02837	1.7
88.98663	6.4
89.02317	4.9
89.04027	1.5
97.02856	1.5
97.06460	7.3
97.07024	1.5
98.20523	2.3
101.02321	5.4
106.47990	1.5
113.02333	3.1
119.03418	1.5
125.09602	2.1
135.08018	2.0
161.04454	4.0
171.10217	14.7
188.59587	1.7
193.12244	9.9
211.13286	2.4
224.03836	1.8
225.14873	15.4
235.08241	8.3
239.16486	2.2
243.15985	4.2
253.09244	18.8
277.21698	94.5
278.22052	4.7
291.19617	2.7
292.66449	1.7
323.22308	3.7
333.10248	1.6
341.23279	100.0
342.23587	5.3
475.69394	1.7
577.32422	6.3
601.44495	4.3
739.72119	1.8
784.56976	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	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01744	1.5
68.99685	1.2
69.03314	4.6
69.46172	8.3
71.01254	34.8
72.83463	1.0
72.99182	11.2
73.02805	4.2
74.22662	0.9
75.00751	35.3
81.03320	2.2
83.01245	3.4
83.04913	2.6
85.02821	12.1
87.00750	34.8
89.02328	8.9
89.13052	1.0
95.01231	1.5
95.04903	2.5
97.02832	5.9
99.00772	3.6
99.04391	1.2
101.02332	12.5
109.02834	3.9
109.06481	1.2
111.00772	2.3
111.04425	1.9
111.08053	1.0
113.02357	8.5
115.00256	62.4
115.03917	1.6
119.03400	1.9
122.24719	1.0
123.04391	4.8
123.08008	1.9
125.02324	3.7
125.09615	1.6
127.00267	1.4
127.03903	7.8
129.01842	1.7
135.02879	5.3
136.10652	1.1
139.00252	1.3
139.03845	1.3
143.03421	1.8
151.03917	1.7
151.11179	2.2
153.09206	1.0
156.34828	1.1
161.04442	1.6
161.09648	2.4
169.04939	4.4
169.12271	2.4
171.02837	1.2
171.08737	2.1
171.10175	35.5
172.10362	1.1
175.02400	100.0
176.02675	1.8
179.05458	1.2
179.10675	4.3
193.12270	3.1
195.13831	4.3
197.11761	43.2
198.12146	1.6
207.10248	2.0
209.11697	2.8
211.13292	10.3
213.14949	1.5
221.11797	3.3
223.09639	1.7
223.13292	3.5
225.11261	1.5
235.08148	3.2
235.13382	2.2
239.12868	7.0
241.10770	2.0
241.14439	6.2
245.11752	2.9
253.09288	10.0
253.14354	1.6
267.12280	5.8
277.21713	83.7
278.22021	4.5
285.13409	13.4
293.20972	2.0
297.13367	1.3
309.20779	3.8
310.21094	2.1
397.13422	2.7
407.18976	1.7
503.21072	6.1
513.30737	1.7
521.22375	4.6
717.42395	1.3
737.41992	1.9
759.43030	1.2
777.40906	2.0
779.42151	4.7
781.43848	37.7
782.44019	5.4
788.38892	1.4
803.43286	2.5
811.44720	1.7
821.42841	8.9
839.43927	2.9
899.46478	70.4
900.46747	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	897.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	1.4
71.01260	8.8
71.44798	2.5
72.99174	1.1
81.03307	1.0
83.01276	1.1
83.04948	0.9
85.02845	2.9
85.10583	0.8
87.00748	3.8
89.02314	5.1
96.95879	1.7
97.02832	7.9
97.06493	1.8
99.00753	2.7
101.02320	5.0
111.08028	3.0
112.98705	2.2
113.02335	3.0
115.00272	3.6
119.03394	2.1
125.02335	1.7
125.09602	1.5
130.80859	1.1
137.09612	2.7
150.55963	1.1
161.04482	2.5
163.11163	2.3
165.12698	4.7
171.10179	7.0
175.02428	6.5
179.14357	1.6
181.12219	1.9
193.12230	1.4
195.13847	1.5
197.11745	14.6
207.10280	1.0
209.11755	5.9
211.13350	4.8
221.11755	6.9
223.13301	5.5
225.11070	1.1
227.12805	3.8
235.08188	3.2
239.12834	2.9
247.20648	5.3
251.66350	1.1
253.09242	20.3
273.18640	1.8
277.21686	9.6
291.19647	45.1
292.19949	2.8
293.21143	3.0
309.20691	100.0
310.21100	9.2
397.13541	4.0
476.54138	1.3
527.28284	1.9
545.29456	5.6
601.40894	1.9
725.40875	1.3
897.47162	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19908	6.1
70.20322	3.5
71.01239	13.2
72.99155	2.7
83.01236	2.9
83.04893	2.5
85.02807	4.1
87.00752	10.1
89.02322	3.4
96.95884	4.4
97.02845	2.4
98.19822	2.2
99.00745	2.4
101.02306	5.6
111.08038	11.1
112.98677	4.1
113.02371	4.8
115.00248	14.2
116.92715	2.4
125.09540	2.9
132.01569	2.3
141.01611	2.8
142.99681	2.2
169.12271	4.0
171.10146	3.6
175.02402	28.9
186.29445	2.3
193.12361	2.1
197.11758	46.1
209.11740	5.9
211.13333	12.2
221.11784	9.3
227.12840	2.7
235.08092	4.2
239.12811	3.7
253.09264	23.3
254.09550	2.2
277.21738	14.8
278.21832	2.6
291.19659	28.1
292.19977	3.3
308.19321	3.1
309.20694	100.0
309.24280	4.9
310.21014	8.4
379.11752	2.7
397.13525	5.3
399.18188	2.3
545.29382	3.0
566.16217	2.4
601.41895	2.8
644.31464	2.5
897.47150	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	897.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01754	1.4
69.03320	1.9
71.01255	24.8
71.57715	1.0
71.58143	1.3
72.99184	3.1
73.02824	3.6
75.00745	18.7
76.48424	0.9
77.75526	1.0
78.95791	1.7
81.03335	2.4
83.01259	3.9
83.04902	3.5
85.02814	8.0
87.00764	5.5
89.02317	19.0
95.01290	2.2
97.02822	3.5
97.06448	1.4
99.00763	2.4
101.02322	14.8
109.06473	2.1
110.42518	1.1
113.02338	7.6
115.00263	3.0
119.03387	4.0
123.04422	1.1
125.02325	4.5
143.03389	1.2
161.04459	2.9
166.08693	1.1
171.10144	3.6
175.02449	5.1
177.12785	10.5
179.05489	3.0
195.13843	75.9
196.14183	3.5
203.10870	1.4
209.11818	1.3
221.06609	4.7
221.11778	29.9
222.12067	1.4
223.13268	1.6
235.08182	5.0
239.12868	22.4
253.09174	2.2
255.23277	3.0
277.21710	43.3
278.22186	2.8
278.87177	1.1
293.21191	1.1
308.49588	1.1
309.20627	1.6
311.21408	1.3
334.86145	1.2
379.12561	2.6
393.45386	1.1
397.13583	16.8
415.14468	5.5
494.27518	1.1
619.25873	1.6
637.27100	5.2
897.48578	100.0
898.48792	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	897.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
64.27144	1.5
66.52962	1.5
67.55126	1.6
69.03328	2.7
70.73637	3.6
71.01254	100.0
72.99183	4.4
73.02828	4.6
75.00744	27.2
79.92125	1.8
81.03326	2.8
83.01262	7.1
83.04900	6.7
84.01973	1.7
85.02831	13.5
87.00755	9.2
89.02318	27.9
95.01263	3.2
97.02831	7.2
99.00759	3.9
101.02322	27.5
109.06477	7.3
111.00758	2.0
111.04445	2.3
113.02319	17.4
115.00252	1.6
119.03399	6.3
121.44176	1.8
125.02354	13.0
127.07614	2.0
127.11218	3.9
136.05209	2.9
141.01750	1.9
142.02657	2.0
143.03387	5.2
161.04489	5.6
165.62383	1.5
171.10170	47.4
172.10547	2.3
172.71806	1.6
175.02388	2.2
176.89023	1.6
177.12764	6.9
179.05550	6.4
195.13814	5.3
199.09698	10.2
201.11275	10.7
207.10207	16.3
209.11829	1.6
217.07166	2.1
221.06532	2.1
221.11771	64.3
222.12122	3.2
225.11211	10.9
225.78473	1.7
235.08218	9.9
239.12822	34.6
240.13025	2.0
243.12415	2.1
253.09326	2.4
255.23265	59.5
256.23679	5.4
277.21719	37.0
278.21872	2.7
287.07562	1.8
290.56076	1.6
293.21146	1.7
305.08887	2.4
310.90067	1.5
379.12311	10.5
397.13489	52.4
398.13785	4.8
415.14636	13.5
523.24200	1.7
619.25946	4.4
637.27368	4.7
835.46161	2.0
861.48456	7.6
862.48535	2.9
897.49445	22.3
898.49255	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	897.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20026	1.1
64.10320	1.0
69.03339	2.6
71.01254	100.0
71.58119	2.3
72.99185	3.3
73.02824	5.9
75.00742	16.7
76.84193	1.5
78.95775	3.0
81.03329	3.9
83.01260	3.7
83.04891	4.2
85.02814	11.2
87.00745	7.3
89.02318	22.1
95.01237	1.6
95.04903	1.6
97.02826	6.9
99.00783	2.4
101.02315	17.8
109.06483	4.5
111.00826	1.0
111.04351	1.9
113.02306	10.0
119.03395	4.8
121.52077	1.1
121.98707	1.2
125.02308	8.3
125.09603	1.8
128.88620	1.1
137.97568	1.3
141.01778	1.4
142.02635	1.8
143.03391	2.1
161.04469	4.2
163.11163	1.6
171.10188	42.9
172.10559	2.2
177.12749	4.5
179.05589	5.0
197.11783	1.9
199.09692	8.9
201.11165	7.4
207.10225	11.3
209.11783	3.3
217.07053	1.4
219.87213	1.2
221.06821	2.0
221.11780	41.4
222.12048	2.2
225.11255	6.4
235.08194	8.6
239.12898	18.6
239.15259	2.4
253.09239	3.0
253.99533	1.3
255.23282	49.3
256.23654	3.6
263.07629	1.8
277.21722	32.5
278.22113	1.6
287.07623	1.6
291.19711	3.4
293.20853	1.4
305.08698	2.2
307.18954	1.9
309.20526	3.5
310.21262	2.1
323.09277	1.5
379.12579	4.2
397.13522	39.6
398.13858	3.3
415.14645	12.2
508.86591	1.4
619.25928	3.0
622.72467	1.5
637.26801	2.9
646.44348	1.3
653.37732	1.8
861.48279	3.7
862.48969	2.0
897.49298	17.9
898.50293	2.8
929.28937	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	897.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23820	1.2
71.01254	19.1
71.57714	1.7
71.58090	1.2
72.99177	2.1
73.02821	1.6
75.00745	2.6
78.95738	2.2
83.01273	1.9
83.04884	1.9
85.02818	4.5
87.00752	3.9
89.02314	12.7
95.01254	1.7
96.95879	1.4
97.02822	1.8
97.06449	1.5
101.02310	12.7
102.87357	1.3
104.16065	1.1
111.00694	1.4
113.02309	5.8
119.03330	1.7
125.02319	4.8
132.37125	1.2
143.03383	1.4
150.65475	1.5
161.04456	2.3
171.10153	3.7
177.12758	11.3
194.37984	1.2
195.13837	50.7
196.14241	2.7
203.12819	2.3
204.13124	1.7
204.89885	1.2
209.11700	1.6
221.06554	2.7
221.11745	4.6
235.08243	1.9
239.12831	4.3
241.01172	1.3
253.09334	1.7
255.23236	2.1
277.21710	48.1
278.22061	2.6
279.23346	1.9
397.13428	9.5
624.49652	1.3
625.06171	1.3
637.26862	1.5
710.22211	1.3
799.30023	1.5
897.48547	100.0
898.48755	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	897.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58661	0.3
69.03289	2.8
71.01247	13.9
71.04899	0.6
72.99179	1.3
73.02806	2.4
75.00738	0.6
81.03304	1.0
83.01258	1.1
83.04909	0.4
85.02812	3.6
85.96465	0.3
87.00749	3.4
89.02308	12.1
93.03321	0.4
95.01247	1.3
95.04859	0.5
96.95846	0.5
97.02805	2.0
99.00732	2.1
99.04420	0.4
101.02313	11.0
104.29480	0.3
109.06467	0.5
111.04392	0.6
111.08056	0.5
113.02310	6.3
119.03384	3.7
121.02818	0.4
125.02321	4.3
131.03378	0.6
141.01616	1.0
143.03398	2.1
149.09583	0.4
158.05586	2.9
159.05975	0.4
161.04433	2.4
167.10663	2.6
179.05510	4.0
179.10692	1.3
179.14319	2.6
195.13805	14.7
196.14284	0.7
199.05966	0.4
205.12253	8.2
206.12717	0.5
211.13338	1.1
217.07123	0.4
221.06566	1.8
223.13324	68.0
224.13681	2.6
225.14775	0.7
228.13533	0.7
231.21184	0.5
235.08185	3.7
253.09264	0.6
256.13153	0.8
263.07654	0.4
265.14410	0.5
270.93307	0.4
275.20139	4.2
287.07751	1.4
289.18106	0.5
291.19589	1.1
293.21188	100.0
294.21506	5.0
305.08667	1.2
309.20651	0.8
323.09769	1.0
335.21878	0.4
345.56073	0.4
379.12494	3.0
397.13443	33.3
398.13751	1.4
415.14502	12.1
416.14996	0.7
499.34497	0.5
603.26508	3.7
604.27112	0.5
621.27539	8.6
622.28345	1.1
673.34448	1.1
691.35394	2.2
773.96619	0.4
897.48480	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	895.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.88776	6.2
71.01252	15.6
71.57684	5.3
72.99179	17.9
73.34558	6.1
75.00735	12.6
87.60069	5.7
89.02287	5.7
97.06458	10.2
101.02315	13.1
111.08034	20.8
113.02320	12.7
151.11189	8.0
154.08296	6.5
161.04504	5.6
169.12199	9.3
171.10155	7.1
181.12234	10.3
183.13701	6.9
191.10608	7.1
197.11765	100.0
198.12022	7.1
203.11852	6.7
209.11729	33.2
211.13362	17.4
227.12817	15.9
233.49959	5.8
235.08177	10.2
245.19054	11.6
253.09261	31.4
255.23370	6.3
263.20120	21.5
265.30850	5.7
289.18066	27.4
291.19556	25.8
294.80841	5.9
307.19153	79.3
309.20657	95.7
323.22409	6.8
352.72000	6.6
404.79303	5.7
445.20895	16.9
543.27820	23.1
737.41138	10.3
835.48230	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	895.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	2.5
71.01244	13.2
72.99210	1.8
73.02815	2.0
80.02537	1.4
83.01250	2.7
83.04890	3.8
84.79851	1.3
85.02806	3.6
87.00747	8.4
89.02323	5.3
97.02798	2.4
97.06465	5.5
98.20577	2.1
101.02328	11.0
109.06431	3.5
111.08030	9.9
113.02310	6.9
119.08532	1.7
123.04391	2.4
123.08034	3.5
125.05896	1.4
125.09601	5.9
137.09590	4.5
145.79253	1.4
151.11168	3.7
153.12770	2.8
161.04433	3.3
163.11188	5.6
165.12723	4.6
169.12256	7.1
171.10150	6.1
177.12781	2.1
181.12257	4.4
185.11702	4.3
191.10721	1.9
191.14307	7.9
193.12270	1.7
197.11761	58.6
198.12032	1.6
199.13322	4.3
207.10139	3.5
209.11757	20.6
211.13318	11.7
225.11215	2.1
226.11931	1.7
227.12790	6.1
235.08189	5.7
237.11287	4.6
245.19041	15.9
253.09285	33.2
255.23250	4.0
263.20078	10.9
271.16962	2.6
272.76501	1.6
273.18506	2.3
289.18073	72.5
290.18326	3.7
291.19659	30.6
292.19891	1.9
307.19116	89.0
308.19614	7.3
309.20688	100.0
310.20969	6.0
343.49185	1.7
397.13583	2.3
445.20624	3.9
480.49265	1.7
525.27069	4.8
543.28174	6.9
545.29755	2.8
737.41394	2.0
835.49127	3.0
889.91406	1.9
895.49042	7.1
896.48193	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	895.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	2.0
71.01259	8.0
81.03341	2.3
83.01275	2.3
83.04887	2.7
83.12855	1.2
85.02834	3.5
87.00746	2.7
89.02330	4.3
93.03350	1.2
95.01241	1.3
97.02833	8.3
97.06471	4.9
101.02320	8.4
109.06460	2.8
111.08063	6.5
113.02347	5.5
119.03361	2.2
119.08542	1.5
121.06556	1.2
123.04417	1.8
123.08079	2.5
125.09627	6.6
129.30470	1.1
137.09659	3.2
151.11171	1.6
161.04472	2.1
163.11211	7.8
165.12720	5.6
169.12294	1.7
171.10202	6.3
179.05492	2.2
181.12302	1.8
183.13889	2.5
185.11743	7.4
191.14374	9.0
197.11749	32.4
204.07333	1.3
207.10214	3.9
209.11757	16.8
211.13332	8.2
217.16019	1.7
225.11172	3.0
227.12833	4.6
235.08218	6.5
237.11234	5.7
245.19063	18.3
247.20697	2.6
253.09245	28.0
254.09656	1.3
261.18652	1.4
263.20187	7.3
271.17093	2.9
289.18091	86.7
290.18335	4.7
291.19659	43.4
292.19986	3.7
307.19147	85.6
308.19397	6.0
309.20706	100.0
310.21100	6.8
337.26843	1.3
525.27069	4.1
537.61371	1.4
543.27930	3.8
545.30084	1.9
835.48041	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	895.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99686	0.4
69.03316	1.0
71.01254	21.8
72.99171	1.3
73.02811	1.6
75.00761	0.8
77.21712	0.4
81.03343	0.7
83.01244	1.4
83.04880	0.8
85.02825	2.3
87.00748	2.8
88.98692	0.7
89.02319	8.5
95.01238	1.4
96.95901	1.0
97.02846	2.1
98.19750	0.8
99.00768	0.8
101.02322	8.3
102.02724	0.4
107.43974	0.4
109.02853	0.5
109.06452	2.2
113.02328	4.9
119.03361	2.1
125.01704	0.3
125.02361	3.4
131.03380	0.4
137.02380	0.6
141.01645	0.6
143.03429	1.2
149.04510	0.4
161.04488	1.8
163.11200	1.4
167.14368	0.7
171.10144	1.3
179.05511	2.6
183.13831	7.9
193.12256	2.2
199.09747	0.4
199.13409	0.5
201.11307	0.6
207.10220	4.3
207.13693	0.3
208.10385	0.4
209.11777	1.9
211.13342	100.0
212.13684	5.4
221.06628	0.6
225.11276	4.1
227.12845	1.6
235.08202	3.2
253.09322	0.9
253.14388	0.6
259.08124	0.4
263.07858	0.4
268.07462	0.4
287.07715	0.7
305.08801	1.0
323.09915	0.9
379.12460	5.5
380.12991	0.4
391.25140	0.6
397.13489	21.6
398.13940	1.1
401.23349	0.8
415.14624	3.9
419.24701	0.9
524.91040	0.4
591.26563	11.1
592.26947	1.1
609.27625	10.2
609.36816	0.7
610.28021	1.3
623.25323	0.6
676.70428	0.4
785.39984	2.3
799.38367	1.4
803.41040	1.7
804.41968	0.6
817.39026	1.9
818.39636	1.5
895.43201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.417
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92138	1.4
69.03328	2.2
69.60291	9.0
69.81941	1.4
71.01247	100.0
72.99181	3.4
73.02818	3.5
81.03332	3.4
83.01259	3.3
83.04895	5.0
85.02846	5.7
86.99184	1.6
87.00757	4.5
88.98649	1.6
89.02312	19.3
95.01299	1.6
95.69045	1.4
96.95837	2.2
97.02824	9.2
99.00745	4.2
101.02324	16.4
109.06462	21.8
110.83511	1.5
113.02328	10.2
117.51286	1.3
119.03374	4.9
123.04343	1.8
125.02302	8.9
125.09605	3.2
135.08029	1.9
136.05191	2.1
141.01743	1.9
142.02644	2.4
143.03395	3.4
161.04456	3.7
163.11160	11.7
167.14343	1.8
171.10173	12.3
174.84230	1.7
179.05556	4.9
181.12267	6.4
183.13847	6.5
185.11650	1.8
193.12265	2.4
199.09418	1.7
199.13297	2.8
201.11272	6.7
207.10188	53.0
209.11760	11.9
211.13318	74.4
212.13654	1.9
221.06572	3.2
225.11276	35.5
226.11699	2.1
227.12785	9.0
232.86003	1.6
235.08163	4.9
243.12427	2.4
306.76242	1.6
331.97684	1.4
379.12277	2.2
383.22107	2.7
391.24982	3.1
397.13507	25.3
401.23373	6.7
415.14487	9.0
419.24518	4.1
525.49438	1.6
591.26196	2.5
605.24518	5.2
609.27612	2.5
623.25848	8.0
771.38641	2.3
799.37305	8.4
817.38336	21.3
818.39771	7.1
819.40314	1.9
835.40118	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	895.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	3.2
70.97581	3.2
71.01256	100.0
72.99212	2.6
73.02831	4.0
73.50172	1.2
74.53241	1.3
78.95799	1.5
81.03345	2.6
83.01256	3.7
85.02823	7.0
86.00021	1.3
87.00763	5.4
88.98680	2.3
89.02320	15.8
96.95881	4.0
97.02825	9.4
99.00767	4.2
101.02336	14.6
109.02845	2.2
109.06481	12.0
110.87775	1.4
113.02324	9.8
119.03399	4.8
125.02322	6.6
125.09608	2.1
135.04269	1.4
136.05260	1.5
137.02255	1.9
141.01669	2.8
142.02640	1.7
143.03421	3.0
155.10730	1.5
159.11087	1.3
161.04436	3.9
163.11186	10.4
171.10196	9.2
179.05525	4.4
181.12308	5.3
183.13803	8.0
185.11716	2.7
193.12268	2.3
199.13326	4.2
201.11282	6.1
207.10216	39.1
208.10640	2.5
209.11775	12.4
211.13338	73.1
212.13817	3.0
221.06575	1.7
225.11285	26.0
227.12733	10.0
235.08199	4.6
243.12201	1.7
253.09254	1.8
263.07654	1.4
305.08670	2.0
306.40665	1.4
358.18256	1.5
383.22385	2.1
397.13492	25.3
398.13422	2.2
401.23337	6.1
415.14618	8.8
419.24451	4.4
531.69659	1.5
605.24689	2.2
609.27484	2.5
623.25427	3.8
771.38416	1.8
799.37170	9.9
817.38641	21.6
818.38770	6.5
835.40369	3.4
895.44525	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	893.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01736	0.5
69.03332	1.2
71.01250	7.2
72.99181	1.1
73.02796	1.4
80.02538	1.1
81.03311	2.8
83.01245	4.4
83.04890	1.5
83.57815	0.4
85.02806	1.8
87.00732	1.5
88.46495	0.5
88.64942	0.5
89.02305	3.3
90.08298	0.5
93.03313	0.6
95.01270	1.1
95.04903	1.6
97.02819	3.2
97.06467	6.6
98.20591	0.8
99.00751	0.7
101.02309	6.3
103.39340	0.5
104.14685	0.5
106.04135	0.7
107.04920	0.6
108.02052	0.6
109.02831	0.5
109.06458	1.5
111.00740	0.6
113.02339	3.1
119.03372	0.8
119.08518	0.8
121.06480	1.6
121.16691	0.5
123.04425	4.3
123.08050	2.0
125.02303	0.8
125.05950	1.1
125.09608	8.6
127.07555	0.9
135.08026	1.3
136.05161	0.4
137.06012	0.7
137.09592	4.7
141.12759	1.0
142.02579	0.7
142.48004	0.5
145.04974	1.0
149.05954	0.6
149.09584	1.1
151.11214	0.6
160.08849	0.9
161.04463	2.3
161.09584	1.4
162.10419	0.6
163.07532	1.2
163.11191	8.5
164.08348	0.6
165.09105	0.5
165.12747	2.4
167.10590	0.7
169.59869	0.5
171.10164	1.7
175.11194	0.7
177.12730	1.0
179.05508	1.1
179.10658	1.0
181.12288	1.4
185.10173	0.4
185.11736	10.6
191.10728	0.9
191.14336	11.5
197.11913	0.7
207.10226	6.0
209.11760	22.9
210.12099	1.1
211.13345	1.8
217.15918	1.1
219.13834	0.6
225.11269	5.1
226.11969	1.1
227.12907	0.7
227.18059	0.7
235.08150	3.4
237.11244	5.1
243.17485	1.1
245.19055	22.5
246.19470	1.4
250.15483	0.5
253.09256	16.0
255.23285	1.2
263.20132	6.1
271.17142	3.1
281.21320	0.9
289.18085	100.0
290.18491	5.6
305.17630	1.0
307.19138	87.9
308.19403	5.1
309.20715	0.9
331.19077	1.2
346.44522	0.5
346.48877	0.5
445.20654	0.9
463.15942	0.6
481.29211	0.6
499.30881	1.3
517.31866	0.8
525.27087	1.6
543.28094	2.0
735.39642	0.8
815.46576	0.8
833.47620	1.3
893.48175	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	893.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
68.48500	1.8
71.01253	14.5
71.57994	2.2
72.99155	2.1
73.02794	1.8
79.94402	2.2
81.03319	3.3
83.01246	3.5
83.04893	3.1
84.77314	1.6
85.02831	3.9
87.00727	3.1
89.02333	5.7
91.32474	1.7
95.04858	2.5
97.02827	1.9
97.06454	11.1
101.02331	8.3
105.60905	1.8
107.05003	1.7
109.06474	2.5
111.08022	3.8
113.02314	3.2
123.04449	2.3
123.08069	4.0
125.02328	3.3
125.09624	6.1
129.01845	2.4
137.09612	4.0
151.11188	7.5
155.10718	1.9
161.04401	2.6
163.11168	8.3
165.12737	7.5
171.10115	3.0
179.10689	3.6
181.12309	9.7
185.11731	6.3
191.10728	3.2
191.14365	8.9
196.54129	1.7
197.11703	2.6
206.43118	1.7
207.10220	3.3
209.11772	43.2
210.12032	2.0
211.13359	3.7
221.11653	2.1
225.11325	3.9
227.12819	8.1
235.08154	6.8
237.11438	2.3
245.19066	19.7
253.09241	11.0
255.23367	3.1
263.20157	15.0
269.24969	3.3
271.17133	3.2
289.18094	70.3
290.18350	5.3
295.44202	2.1
305.17432	1.9
307.19138	100.0
308.19406	6.2
397.13388	4.0
398.83817	2.3
445.20886	11.8
525.27240	3.8
543.28143	9.9
735.39758	2.1
736.39642	2.6
833.47375	3.5
893.50446	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	889.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	15.4
71.01228	8.2
74.84357	5.1
87.00740	8.9
88.98728	6.4
89.02296	7.7
96.95870	29.2
97.06479	5.8
99.92443	8.8
101.02301	13.8
113.02312	7.3
116.92736	100.0
116.97151	7.5
125.02361	5.9
129.39349	7.4
135.50516	5.9
149.85558	5.9
171.10201	20.0
189.63545	6.8
209.11780	27.7
211.13261	12.5
235.08173	16.1
253.09280	27.6
254.09468	6.6
289.17984	42.7
307.19067	48.0
309.20715	24.2
327.21750	74.6
330.55878	5.9
376.05356	6.4
397.13742	7.5
401.08856	7.2
411.77380	7.1
525.26990	8.7
543.27863	10.6
563.30872	10.4
853.50092	8.4
889.47650	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98680	0.4
65.00185	0.6
69.03329	0.4
70.56644	1.2
71.01256	4.9
72.99179	0.6
73.02805	1.4
75.00740	1.3
81.03341	0.4
83.01258	0.8
83.21110	0.4
85.02821	3.1
87.00735	0.8
89.02307	1.7
91.01774	2.0
91.69796	0.3
93.03336	58.3
94.03667	1.0
95.01280	1.2
96.80518	0.5
96.95890	5.7
99.00759	1.3
99.04362	0.4
101.02306	2.3
108.02045	3.0
109.02828	1.8
111.00755	1.1
113.02322	2.7
115.00244	0.5
119.03427	0.4
119.04918	1.1
121.02851	2.4
123.00769	0.7
123.04415	7.1
124.01553	0.5
125.02328	1.6
132.02029	0.6
133.02849	1.0
134.03661	2.2
135.00713	0.4
135.04384	1.2
136.01526	0.7
137.02342	100.0
138.02647	2.1
141.04082	1.3
143.03450	0.6
145.02861	0.6
147.00786	0.5
149.02350	4.6
150.03148	1.7
151.00226	0.6
151.03897	1.5
152.01073	5.0
153.01874	2.0
160.01541	2.4
161.02321	1.3
161.04420	0.8
161.09621	0.4
163.00258	0.3
163.03859	1.0
164.04683	3.4
165.01788	1.0
165.05441	1.3
166.02577	0.5
167.03412	21.2
168.00607	0.8
168.03816	0.6
175.00294	2.7
175.02458	0.6
175.03894	4.2
177.01871	0.6
177.05428	0.4
178.02536	0.5
179.03409	0.9
179.06961	0.6
181.04955	0.6
187.03844	0.4
190.02638	8.2
191.03255	0.8
191.05507	1.3
193.05003	2.7
195.06583	1.4
205.05008	9.9
206.05428	0.6
208.03738	0.7
217.04994	0.5
223.06067	5.0
249.06142	0.7
267.07269	0.5
269.04474	0.4
271.02563	0.6
281.06699	0.6
284.03311	1.3
285.04132	2.0
299.07825	2.0
300.02716	0.6
315.07361	0.5
337.09305	3.4
352.08124	0.6
353.08765	0.4
367.06433	0.7
367.10370	9.1
368.10886	0.5
505.13507	11.7
506.14230	1.0
521.16595	8.8
522.16895	0.6
535.19977	0.5
551.17908	2.4
583.21631	0.7
727.22827	0.5
845.26245	0.8
888.40790	1.1
889.25983	5.4
889.41742	2.1
890.28662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	5.7
67.01738	1.8
67.68726	0.9
68.99678	2.6
69.03317	2.8
69.24127	7.6
69.24552	3.8
71.01248	40.0
72.00057	1.1
72.99178	9.0
73.02803	4.6
75.00742	23.0
81.03304	1.7
83.01238	4.6
83.04878	1.9
85.02816	34.3
87.00742	11.4
89.02313	9.2
93.03333	9.7
95.01252	9.2
96.95890	10.4
97.02810	1.9
98.19747	1.9
98.50612	1.0
99.00752	15.3
100.49770	1.0
101.02316	7.8
103.00249	3.2
107.01257	1.3
107.04895	3.1
108.02030	1.8
109.02811	3.7
111.00758	2.4
111.04398	1.5
113.02322	39.6
113.05915	1.1
115.00236	3.0
115.03912	1.0
117.01785	3.3
117.03282	1.2
118.04987	1.2
119.01196	1.0
119.03382	2.4
119.04935	2.1
121.02825	3.8
123.00783	1.2
123.04350	2.0
125.02301	3.4
126.07056	0.9
129.01797	3.3
133.02821	2.6
134.03593	4.2
135.04428	6.0
135.08147	0.9
136.01559	1.6
137.02330	16.0
139.00269	2.5
141.04066	1.9
145.02780	1.4
147.04405	1.4
149.02324	8.1
149.04408	1.1
150.03123	2.4
151.00267	2.5
151.03868	1.7
152.01010	3.1
153.01779	3.3
160.01547	3.0
161.02283	3.1
161.04482	1.5
161.09602	5.3
161.13264	2.3
163.03891	2.7
163.11197	2.1
164.04651	4.7
165.05374	2.6
166.02574	1.3
167.03368	2.1
175.00290	2.4
175.02370	6.0
175.03905	4.7
177.01788	1.2
178.02602	1.5
179.03325	1.8
179.06953	2.3
181.05022	1.7
183.13837	1.2
187.11215	7.8
189.03865	1.2
189.09120	3.0
190.02611	5.4
191.03177	1.2
191.05522	1.7
193.04962	3.8
195.06458	1.7
205.04977	5.7
205.07088	5.2
205.12198	8.1
207.04945	1.5
207.10168	3.5
209.04431	1.9
209.11798	2.2
223.06067	7.6
223.13263	3.1
225.14937	1.9
231.04924	1.4
247.08162	1.7
249.06111	16.6
267.07178	20.7
269.04480	3.3
284.03152	3.9
285.03998	26.9
286.04376	3.8
287.05316	2.8
300.02710	1.7
309.08224	9.4
337.09576	1.5
351.68414	1.1
387.20221	2.9
447.09247	3.4
455.19104	3.1
463.09470	1.1
481.16919	2.3
482.17432	1.1
499.18210	11.8
515.08148	11.0
516.08850	1.5
533.09155	1.5
608.09052	1.1
637.32654	1.5
656.55487	1.1
869.38116	3.2
887.39227	100.0
888.39642	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	885.4843
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.85157	0.7
61.98703	35.2
69.03323	2.0
70.36426	1.6
70.36819	1.0
71.01255	24.6
72.06518	0.7
72.99178	2.5
73.02820	4.2
75.00735	1.0
80.62913	0.6
81.03324	1.0
83.01254	2.2
85.02824	5.1
87.00742	5.1
89.02318	18.1
95.01243	1.9
96.95907	0.7
97.02820	3.3
97.06479	1.3
98.70528	0.7
99.00737	1.7
101.02313	16.8
111.04396	1.0
111.08028	1.3
113.02343	7.6
119.03365	4.4
125.02351	5.0
143.03366	1.7
149.04584	0.7
161.04469	3.2
163.11235	0.8
165.12747	7.7
169.50252	0.6
175.73164	0.6
176.81259	0.6
179.05518	2.6
183.13829	54.8
184.14183	1.9
192.10316	0.6
199.13313	1.7
201.00056	0.6
209.11722	6.5
221.06630	1.7
225.11223	1.8
227.12877	7.2
235.08203	3.5
277.21713	61.3
278.22018	4.2
280.03375	0.8
305.08731	0.7
323.09924	0.9
341.89334	0.7
377.05823	0.6
379.12344	2.0
397.08392	1.0
397.13495	17.8
398.13834	1.6
415.14407	5.0
446.99442	0.6
581.66681	0.6
607.25983	2.4
625.26703	1.5
777.23999	0.7
885.48517	100.0
886.48688	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	887.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	3.5
65.00217	0.7
70.35337	1.9
71.01245	7.7
72.17298	0.7
72.99165	1.4
73.02812	2.4
75.00727	2.2
79.95616	0.7
83.01243	1.7
84.54272	0.6
85.02818	5.3
87.00733	2.9
88.98672	0.8
89.02319	4.2
93.03341	6.1
95.01237	1.4
95.04882	0.7
96.95880	5.3
99.00741	1.9
101.02320	4.0
107.01245	0.7
108.02040	2.6
109.02844	3.0
113.02327	6.9
115.00284	1.1
116.92640	0.7
117.03333	0.8
119.04900	1.7
121.02821	1.8
122.03630	0.9
123.04382	1.0
124.01580	0.9
125.02324	2.2
132.02017	0.7
133.02843	3.8
134.03656	3.3
135.04424	3.2
136.01518	0.8
137.02353	9.7
141.04066	1.3
143.03450	0.8
145.02827	1.9
147.04417	0.9
149.02350	5.7
149.05954	0.7
150.03163	1.8
151.00284	4.8
151.03871	1.4
152.01009	1.5
153.01813	2.9
160.01619	1.2
161.02335	1.6
161.04407	1.5
163.00233	0.7
163.03889	1.4
164.04654	2.3
165.01868	1.0
165.05435	1.8
166.02727	0.8
167.03374	1.0
168.32997	0.7
173.04478	0.9
175.02483	1.6
175.03911	2.7
179.03380	1.1
179.05547	1.0
179.07036	1.3
181.04990	1.3
190.02608	2.8
191.03363	1.0
191.05504	1.5
193.04982	2.7
195.06592	0.9
199.03917	1.2
205.04956	3.4
209.11757	1.1
217.04997	1.2
221.04414	0.7
223.04048	0.8
223.05975	3.4
241.05029	0.8
243.02859	1.0
247.17719	0.7
249.06009	1.0
255.02734	0.8
256.03763	2.0
267.07199	2.1
269.04532	1.7
284.03247	17.3
285.04013	100.0
286.04288	6.5
287.05637	1.6
300.02499	1.1
309.03839	1.4
327.05020	1.7
360.43243	0.8
387.20215	2.0
447.09259	21.9
448.09280	1.4
453.17493	0.9
455.19360	1.0
471.09369	1.3
488.77832	0.7
515.08252	78.7
516.08557	7.2
517.09576	1.1
887.39496	8.8
888.39911	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	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98675	0.3
69.03308	0.9
71.01250	16.7
72.99187	1.4
73.02808	2.9
75.00732	0.3
77.12195	0.2
80.02560	1.2
81.03327	1.7
83.01252	2.1
83.04889	5.3
84.02029	1.0
85.02815	4.0
87.00745	4.3
89.02314	14.5
93.03337	0.5
93.87719	0.2
95.01264	1.3
95.04896	0.7
97.02818	2.7
97.06447	0.3
99.00745	1.0
99.04418	0.4
101.02319	12.6
103.69704	0.3
109.02846	0.4
109.06459	0.9
111.00760	0.5
111.04385	0.4
113.02325	7.4
115.03867	0.3
119.03397	3.5
121.02747	0.3
125.02333	5.4
125.05959	0.7
127.03893	0.3
131.03372	0.7
133.04979	0.3
135.08060	0.6
137.02382	0.3
139.03883	0.5
141.01749	0.3
143.03384	2.5
149.04425	0.4
161.04443	3.1
163.11186	3.8
165.12749	2.6
167.03372	0.5
179.05508	3.3
181.04968	0.3
181.12257	0.6
186.60030	0.2
191.10713	0.9
199.06006	0.3
199.13307	0.4
207.10223	0.5
209.11761	100.0
210.12112	4.6
217.07129	0.7
221.06668	1.2
225.11270	0.4
227.12845	12.9
228.13181	0.6
229.83237	0.4
235.08208	5.0
235.10431	0.5
236.08633	0.3
251.12920	0.6
253.09157	1.2
259.08179	0.3
259.20825	0.2
260.81311	0.3
263.07785	0.5
277.21710	53.6
278.22064	5.1
287.07681	1.6
291.23297	0.5
301.09250	0.5
305.08826	1.8
323.09918	1.2
361.11713	0.3
379.12415	6.0
380.12933	0.4
381.90918	0.2
397.13504	40.1
398.13831	2.3
415.14548	8.4
416.15005	0.6
502.32565	0.3
570.25195	0.3
589.24542	0.5
591.69037	0.3
607.26227	1.0
675.35529	0.7
885.47809	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97384	0.2
69.03327	0.9
71.01250	15.2
71.06211	0.6
72.99176	1.0
73.02817	2.1
75.00743	0.4
80.02540	1.5
80.26626	0.2
81.03339	2.0
83.01272	2.1
83.04897	5.2
84.02026	0.7
85.02822	3.4
87.00748	3.7
89.02315	12.5
91.03848	0.3
93.03348	0.3
95.01295	1.2
95.04904	0.7
97.02821	2.4
99.00758	0.9
101.02319	10.5
109.02768	0.3
109.06466	0.5
110.00462	0.2
111.00808	0.3
111.04386	0.7
113.02327	6.5
119.03374	3.3
124.01542	0.3
124.20324	0.2
125.02338	5.9
125.05930	0.4
125.09597	0.2
127.65577	0.2
131.03416	0.6
133.04881	0.5
135.08012	0.7
139.03905	0.4
139.07539	0.3
141.01807	0.4
143.03381	2.6
147.11674	0.3
161.04448	2.9
163.11198	4.0
165.12729	2.2
167.03326	0.4
179.05521	3.7
181.12184	0.5
183.13812	0.3
191.10719	0.8
199.06125	0.3
199.13280	0.9
207.10202	0.6
209.11763	100.0
210.12088	4.8
211.13272	0.4
217.07080	0.8
221.06607	1.7
223.13300	0.4
225.11191	0.4
227.12833	12.9
228.13200	0.4
235.08186	4.7
236.08873	0.2
251.12819	0.5
253.09274	1.1
259.08273	0.4
264.98062	0.3
277.21707	43.8
278.22043	2.5
287.07715	1.3
305.08798	1.8
323.09885	1.2
379.12427	5.4
380.12387	0.3
397.13498	30.6
398.13809	1.4
415.14532	8.2
415.19931	0.6
416.15015	0.3
512.28235	0.3
589.25256	0.4
607.25397	1.3
608.27014	0.3
675.35437	0.4
885.47504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	0.4
69.03322	0.7
69.28915	3.0
71.01247	16.7
71.10034	0.3
72.99165	0.9
73.02814	2.0
73.71275	0.3
80.02126	0.4
80.02560	0.9
81.02905	0.4
81.03304	2.1
83.01254	1.8
83.04884	5.0
84.02033	0.9
85.02813	3.1
87.00733	3.6
89.02312	12.7
95.01261	1.3
95.04903	0.6
97.02820	2.3
97.06441	0.3
99.00740	0.9
101.02314	12.2
109.02811	0.3
109.06490	0.3
111.00735	0.4
113.01514	0.3
113.02323	7.2
119.03391	3.0
125.02328	5.9
125.05954	0.4
126.71429	0.3
131.03403	0.5
135.08049	0.7
139.03889	0.6
141.01837	0.3
143.03406	2.3
145.04927	0.3
147.11641	0.5
149.04425	0.5
149.68938	0.4
161.04468	2.9
163.11218	4.0
165.12766	2.4
179.05534	3.9
181.12164	0.6
191.10687	1.2
199.05898	0.4
199.13347	0.6
209.11755	100.0
210.12108	4.7
214.26758	0.3
217.07051	0.6
221.06587	1.1
227.12831	12.0
228.13223	0.7
235.08168	5.8
251.12874	0.5
253.09201	0.7
259.08133	0.3
263.07736	0.3
277.21698	47.8
278.22052	3.3
279.23285	0.4
287.07751	1.4
305.08865	2.1
323.09723	1.0
379.12430	6.4
380.12518	0.4
397.13464	34.7
398.13916	2.0
398.23102	0.4
415.14548	8.1
416.14694	0.5
510.15552	0.3
589.25159	0.6
607.26196	1.0
675.36389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98714	2.9
67.49294	1.9
68.99682	3.5
69.03329	5.6
69.26395	3.8
69.26797	17.5
71.01247	54.5
72.99174	14.7
73.02821	10.1
75.00741	30.9
79.95635	2.5
81.03344	2.9
83.01273	6.6
83.04902	4.2
85.02825	55.0
87.00739	18.0
88.98682	1.8
89.02311	13.3
91.01814	2.7
93.03312	11.9
95.01248	11.7
96.66959	1.8
96.95884	58.6
96.96482	3.5
97.02852	4.8
99.00751	20.0
99.01215	1.8
99.04404	2.9
101.02353	10.6
103.00274	3.2
107.04946	4.5
108.02063	5.7
109.02862	12.9
111.00778	3.8
113.02324	47.1
113.03037	3.4
113.06025	2.0
114.20687	2.0
115.00245	3.5
117.01855	4.0
117.03388	3.8
119.03461	3.6
119.04907	24.6
121.02880	6.1
123.00772	4.8
123.04449	3.4
123.99191	1.8
124.01595	3.4
125.02338	9.3
129.01866	5.5
132.02072	3.3
132.92899	1.9
133.02878	5.8
133.04956	3.1
134.03662	8.1
135.00812	4.3
135.04428	7.6
136.01550	1.9
137.02370	8.5
139.00305	3.2
141.04141	5.2
145.02847	11.0
147.04463	3.4
149.02330	16.4
149.06003	1.8
149.99510	5.0
150.03119	4.3
151.00337	5.2
151.03938	5.6
152.01080	6.0
152.08430	2.9
153.01854	11.0
153.09180	6.5
157.01353	2.6
160.01552	10.4
161.02402	7.1
161.04526	4.6
161.09676	6.5
161.13261	4.5
163.03897	29.3
163.11273	4.5
164.04701	10.3
165.01926	5.5
165.05478	3.4
165.09164	2.1
166.02649	2.4
167.03467	4.3
168.00589	7.8
173.04515	3.3
175.00380	3.9
175.02437	6.3
175.03990	12.0
177.01942	4.2
179.03542	3.9
179.05478	2.1
181.04990	4.2
187.09782	1.9
187.11206	10.4
189.09138	3.3
190.02592	11.1
191.03592	2.7
191.05624	8.1
193.05072	6.2
195.06645	2.8
205.05070	10.3
205.07207	7.1
205.12190	10.6
207.10254	4.1
209.11737	3.4
214.09593	2.1
223.06050	17.8
223.13432	6.2
224.11826	1.9
231.05168	2.9
249.06084	26.7
249.11369	2.4
252.26961	2.1
267.07205	24.6
269.04691	5.5
284.03311	4.0
285.03986	17.7
286.04639	3.1
309.08231	10.6
331.06726	9.5
337.09451	4.4
367.17819	5.1
429.10379	3.6
441.53220	2.1
455.19608	3.4
499.18173	12.2
501.14032	4.3
515.08600	3.0
517.19470	8.5
547.18054	2.5
600.19360	2.0
619.23138	2.2
661.24084	2.6
679.25543	6.9
867.38245	3.8
885.38257	100.0
886.38599	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	885.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	4.0
65.00208	1.6
68.86427	1.3
68.99678	3.3
69.03318	3.4
69.39521	12.1
71.01250	42.0
71.89076	1.2
72.99174	11.2
73.02805	5.1
75.00745	22.4
78.95773	2.1
83.01247	4.8
83.04883	3.3
83.66804	1.2
85.02821	33.6
87.00746	14.3
89.02309	13.5
91.01760	1.3
93.03341	7.2
95.01246	9.7
96.95887	17.3
97.02842	1.9
97.06456	2.1
98.95501	2.1
99.00748	14.1
101.02323	11.6
103.00235	2.0
107.04893	1.7
108.02020	2.8
109.02870	7.9
111.00745	1.9
111.57114	1.3
112.01558	1.4
113.02325	43.9
113.05923	1.2
115.00230	6.5
117.01792	3.8
119.03382	2.5
119.04864	2.4
120.02064	1.3
121.02807	2.5
123.00742	1.9
123.04385	1.8
123.08059	1.6
125.02322	4.6
125.93519	1.2
129.01804	3.7
131.03400	1.8
131.22797	1.2
133.02812	4.6
133.04935	1.8
134.03619	6.3
135.00742	1.8
135.04398	5.2
135.07968	1.5
137.02321	8.3
139.00241	2.0
139.07552	1.6
145.02875	2.2
149.02335	8.0
150.03104	4.1
151.00275	2.8
151.03900	2.3
151.07451	1.8
152.01028	5.3
153.01825	7.7
153.09117	2.4
156.44598	1.4
157.01360	1.4
160.01550	5.1
161.02316	4.7
161.04523	3.0
161.09601	5.6
161.13214	2.6
162.03067	1.6
163.03845	4.9
163.11162	3.2
164.04659	4.4
165.01776	1.5
165.05423	3.3
167.03337	1.6
168.00496	1.6
171.10161	1.4
173.04276	2.0
175.00298	2.2
175.02365	9.0
175.03896	7.0
177.01704	2.4
177.05559	1.3
179.03508	1.5
179.10661	1.3
181.04984	1.2
181.48671	1.3
183.13789	1.4
187.11168	8.3
189.09137	3.9
190.02626	5.2
191.03542	1.5
191.05490	4.4
193.04947	4.6
195.06566	2.0
203.10591	1.5
205.04984	6.6
205.07082	4.9
205.12282	9.3
207.10152	4.1
209.11758	3.9
223.06068	4.7
223.08154	1.7
223.13437	6.1
243.06502	1.6
247.08269	2.1
249.06157	17.1
249.11131	1.9
250.06621	1.5
267.07166	20.8
269.04541	5.7
278.98798	1.5
284.03229	12.1
285.04025	59.1
286.04355	4.8
291.07056	1.4
309.04645	1.7
309.08273	12.6
315.07401	2.2
325.20813	1.3
337.08969	1.6
353.10318	1.9
429.10330	1.8
447.09247	12.6
448.09503	1.8
455.19168	2.7
473.23651	3.1
499.18210	12.6
515.08215	37.4
516.08289	5.1
547.25092	1.4
635.30334	1.8
743.37970	1.5
867.36609	2.1
885.37708	100.0
886.38116	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	883.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	100.0
67.90984	1.9
68.61945	1.8
69.03336	3.1
71.01244	7.5
72.99178	2.7
73.02841	2.1
73.39648	2.1
83.04833	2.7
84.75399	2.4
85.02812	12.0
87.00753	2.6
89.02312	9.1
97.02835	5.7
97.26643	2.0
97.69636	2.0
101.02322	5.5
109.06480	2.6
113.02310	2.4
119.03391	2.3
137.09578	6.0
161.04439	3.4
171.10164	37.7
199.13722	2.0
207.10201	8.9
211.13301	12.6
225.11208	13.0
229.14372	6.0
229.45695	3.0
235.08177	10.0
251.97853	2.3
253.09248	27.4
277.21692	77.8
278.22031	5.5
279.04245	2.3
291.19611	4.8
309.20749	21.7
319.77823	2.0
327.21719	98.1
328.22214	4.8
358.33813	2.1
397.13516	3.9
545.29645	7.2
563.30591	10.5
587.43048	2.9
704.26666	2.2
823.52203	2.7
883.45758	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	883.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	19.3
70.08220	1.3
71.01257	10.0
73.02819	1.6
83.01269	2.0
85.02826	7.7
87.00761	3.1
89.02337	5.5
96.95865	1.5
97.02837	3.3
99.00734	1.9
101.02323	7.1
113.02319	3.5
119.03333	1.6
137.09679	2.6
145.04962	1.8
161.04495	3.4
163.11182	1.6
171.10178	21.4
207.10165	3.8
209.11867	1.9
211.13338	4.2
225.11317	4.4
229.14413	3.9
235.08182	23.1
237.56520	1.3
253.09282	20.5
259.35367	1.4
277.21713	100.0
278.22092	6.4
291.19699	4.9
294.21347	1.6
309.20645	11.2
310.21365	1.7
327.21741	58.3
328.22147	3.0
397.13242	3.3
513.30377	2.2
545.29736	5.4
563.30933	4.3
587.42969	1.6
883.46460	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	883.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	7.5
63.48716	0.6
65.54933	0.6
65.55276	0.6
69.03314	2.4
70.87413	1.8
71.01250	21.1
71.04902	1.6
71.12509	0.6
72.99157	1.4
73.02805	3.2
75.00751	1.9
78.95759	0.7
81.03339	2.0
83.01252	3.5
83.04888	1.8
85.02827	6.1
87.00756	12.4
87.05290	0.6
89.02311	10.9
95.01257	2.1
95.04908	1.2
96.95909	0.7
97.02819	12.6
97.06456	2.4
99.00751	22.9
101.02315	11.0
109.06480	4.6
110.03598	1.8
111.04470	0.8
113.02323	5.7
115.00242	2.7
119.03369	2.3
121.02800	0.6
123.00715	0.8
123.04430	0.7
123.08018	1.6
125.02335	10.4
125.09589	6.1
135.08067	1.4
136.05197	2.0
140.49202	0.7
141.01639	2.0
141.58145	0.7
142.02608	3.3
143.03410	1.6
145.10074	0.8
147.13902	0.6
161.04446	2.9
161.09679	1.6
163.11179	13.8
163.12477	0.9
166.42883	0.8
175.02347	5.7
179.05519	2.1
179.10605	1.1
181.12262	22.9
197.11786	1.6
199.13336	4.6
201.11299	0.7
207.10196	71.4
208.10568	2.0
209.11758	1.3
211.13356	2.3
221.06537	1.4
223.13385	1.4
225.11259	100.0
226.11598	3.0
235.08199	3.5
243.12332	35.8
244.12686	1.2
253.09315	2.2
263.07806	2.1
277.21707	57.7
278.21927	4.5
299.14883	0.8
305.08826	0.8
317.16153	3.7
323.22174	0.9
323.26123	0.7
341.23227	1.0
379.12354	2.4
397.13474	13.9
415.14578	3.3
425.18152	0.7
461.20148	1.3
527.52240	0.7
597.85193	0.7
605.24481	21.3
606.24359	1.6
623.25519	25.9
624.25806	1.8
687.97400	0.8
861.28754	0.9
883.46918	71.6
884.47247	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	881.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	51.1
71.01235	34.8
72.99165	10.4
73.02815	6.4
78.95753	4.5
83.01243	5.5
84.43753	3.7
85.02849	5.6
87.00729	11.9
89.02313	14.6
99.00784	6.5
99.98206	3.8
101.02306	17.5
104.35841	3.5
105.80687	3.7
111.00781	5.1
111.08040	9.0
112.98650	22.3
113.02301	12.7
115.00237	15.1
140.02197	4.0
142.99748	29.3
161.04533	4.1
169.12213	4.7
171.10197	8.8
173.00801	11.8
174.01610	40.8
175.02403	32.7
179.05460	4.8
187.46713	3.9
195.13936	5.4
197.11786	36.3
201.11244	19.0
209.11734	33.4
211.13324	100.0
212.13676	5.2
223.13272	12.4
225.11147	4.6
229.74612	4.2
235.08136	12.1
247.58626	4.1
253.09248	40.2
255.23232	29.3
263.20157	6.0
275.20181	7.7
277.21719	93.1
278.21881	8.7
291.19687	22.4
293.21255	89.5
294.21439	3.7
307.19144	6.1
309.20627	60.7
310.20892	9.2
350.88538	4.5
397.13611	28.0
447.22272	11.1
515.11169	4.7
747.25275	4.8
763.42139	4.8
803.42584	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	881.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02091	2.2
61.98702	13.6
70.15444	10.6
71.01247	43.2
72.99180	7.9
73.02825	4.6
80.02518	2.5
80.12379	2.3
80.96358	2.1
83.01256	5.7
83.04896	5.5
84.02055	2.1
85.02831	7.7
87.00770	10.8
89.02309	25.3
97.02856	5.5
99.00743	4.6
101.02316	24.2
102.00195	2.3
106.83324	2.3
109.02879	2.3
111.00733	3.7
111.08038	6.4
112.98708	8.4
113.02334	13.1
115.00256	4.8
119.03398	6.8
125.02308	6.8
125.09595	3.5
127.11153	4.2
137.09579	2.2
139.03864	2.1
141.01585	3.3
142.99767	13.3
143.03410	6.9
161.04434	6.0
163.11205	4.4
165.09103	2.8
165.12677	4.6
169.12335	3.6
171.10152	7.1
173.00743	2.5
174.01614	12.7
175.02405	8.0
179.05527	4.9
191.80241	2.2
195.13843	7.9
197.11754	40.5
201.11238	83.7
202.11601	4.1
209.11751	86.4
210.12099	2.9
211.13315	37.5
223.13367	7.3
225.11316	3.0
227.12959	14.7
235.08124	11.3
237.11076	2.2
253.09241	33.0
254.09564	2.5
255.23259	76.1
256.23676	7.9
269.24878	3.6
275.20065	7.0
277.21710	39.5
278.22125	4.9
287.07761	4.2
291.19623	17.6
293.21207	100.0
294.21503	6.8
309.20703	60.0
310.21152	4.8
323.09933	3.0
352.69360	2.7
379.12399	10.4
397.13431	58.9
415.14523	12.8
433.20920	2.4
513.30365	2.3
545.29596	5.3
585.41541	3.6
653.37476	6.8
654.37701	2.5
681.69141	3.2
682.41803	2.4
729.71521	2.5
763.42609	3.5
789.46326	2.9
881.50214	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	881.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	7.8
69.03337	3.8
71.01244	36.2
71.57785	2.2
71.58183	2.6
72.71843	2.1
72.99191	9.3
73.02814	5.7
75.00742	2.5
77.95199	1.5
78.95767	2.4
80.02557	2.2
81.03352	2.1
83.01281	4.0
83.04890	5.9
85.02802	8.4
87.00739	12.8
89.02302	22.4
95.01268	2.9
97.02817	5.7
97.06424	1.8
99.00745	11.3
101.02316	26.7
111.00778	3.6
111.04435	2.6
111.08051	3.6
112.98682	18.3
113.02338	11.9
115.00266	10.3
119.03382	6.3
124.98714	2.0
125.02276	9.0
125.09673	3.5
127.11163	2.9
129.01814	2.4
141.01643	2.3
142.99767	22.2
143.03349	4.4
146.93863	2.1
156.00574	1.7
161.04440	5.7
163.11110	5.8
165.09041	1.7
165.12782	3.5
169.12076	2.3
171.10197	4.9
172.10612	1.6
172.99376	1.5
173.00830	6.9
174.01602	25.7
175.02377	16.9
179.05536	5.4
183.13834	2.5
195.13840	3.2
197.11763	9.1
201.11246	73.3
202.11617	2.7
207.10167	2.2
209.11765	100.0
210.12100	3.7
211.13326	50.6
212.13655	2.1
221.06531	2.6
223.13292	5.7
225.11208	2.4
227.12851	15.6
235.08208	13.8
245.18866	1.9
253.09259	22.1
255.23253	69.4
256.23624	7.5
263.12875	3.6
263.20139	2.0
271.71683	1.7
275.20132	3.1
277.21695	68.9
278.22012	6.6
287.07736	2.5
289.18094	7.2
291.19635	14.1
293.21228	37.0
294.21579	3.4
307.19098	8.3
309.17255	2.8
309.20691	45.1
310.20850	2.3
323.10086	2.1
353.37100	1.7
356.25140	1.8
379.12491	8.6
397.13452	64.6
398.13885	5.0
415.14456	13.8
447.21893	2.5
555.28662	1.8
560.73895	1.8
581.24292	2.3
635.35828	2.5
653.37683	7.0
654.37762	2.5
763.43024	2.5
803.42120	3.6
828.85059	1.9
863.43988	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	881.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98693	6.9
68.99653	2.1
69.03330	3.1
70.05917	10.2
70.19590	1.9
71.01254	34.4
71.75508	1.8
72.99182	8.1
73.02791	4.5
79.12948	2.1
80.02567	2.3
81.03316	2.9
83.01281	6.6
83.04916	3.0
85.02817	6.9
87.00758	16.2
89.02324	19.6
95.04907	2.7
97.02827	6.6
98.20392	2.5
99.00761	10.1
101.02322	21.1
101.83712	2.0
112.98680	17.1
113.02321	16.5
113.99407	1.9
115.00254	10.3
119.03385	7.5
120.83286	2.0
124.98689	3.3
125.02328	9.6
125.09585	4.4
125.52322	1.8
127.11179	1.9
129.01781	2.0
136.25928	2.0
137.09587	2.1
141.01595	3.2
142.99759	19.5
143.03419	4.8
145.01350	2.6
161.04459	6.4
163.11200	5.9
171.10205	5.9
173.00841	6.7
174.01613	22.9
175.02348	13.1
179.05524	6.1
183.13860	2.9
195.13872	2.8
197.11858	2.4
201.11255	70.0
202.11603	2.1
209.11778	100.0
210.12059	2.8
211.11433	3.8
211.13318	43.9
212.13817	3.5
223.13373	5.5
225.11230	2.5
227.12881	17.1
235.08151	11.4
241.49135	1.9
253.09253	16.2
255.23262	74.8
256.23627	6.8
263.12680	2.6
275.20181	3.6
277.21698	73.8
278.22067	5.5
291.19580	10.3
293.21265	29.1
294.21518	4.8
309.20737	25.0
323.10104	3.3
379.12656	13.0
380.13141	2.4
397.13501	65.4
398.13672	3.4
415.14557	12.3
420.89316	2.5
447.22479	3.8
581.23724	3.1
653.37598	6.2
759.42047	3.1
763.42987	6.2
803.42120	4.5
821.43451	3.7
863.45856	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98704	7.3
69.03327	4.5
71.01257	31.4
71.58170	3.1
71.99373	1.7
72.01611	2.8
72.99178	5.8
73.02808	7.4
81.03329	3.1
82.36542	1.8
83.01254	4.7
83.04898	5.6
85.02824	6.6
87.00760	10.1
89.02313	25.2
93.31749	2.2
97.02824	10.4
98.99779	1.9
99.00739	5.4
101.02308	18.0
112.98677	4.3
113.02342	11.1
115.00262	5.5
116.20926	2.0
119.03397	6.0
125.02355	11.0
125.09603	3.9
127.11149	4.9
137.09587	2.2
142.99762	8.6
143.03436	3.6
155.10638	2.1
161.04453	6.3
163.11142	5.7
165.09052	2.2
165.12753	5.7
165.51396	1.9
171.10155	10.2
173.00829	2.8
174.01570	11.9
175.02368	7.5
179.05486	6.2
181.12166	2.2
195.13838	4.3
196.97716	2.3
197.11769	7.4
201.11267	71.4
202.11650	4.0
207.10204	2.2
209.11775	100.0
210.12119	6.8
211.13322	30.0
223.13290	3.4
225.11310	2.2
227.12825	15.6
235.08142	12.2
253.09276	21.3
255.23270	85.1
256.23770	9.8
275.20099	5.4
277.21786	22.0
287.07745	2.5
291.19690	25.6
292.19861	2.4
293.21225	53.2
294.21521	4.0
305.08707	4.7
307.19186	2.6
309.20688	51.6
309.24255	3.2
310.20950	4.2
379.12463	12.0
397.13507	68.5
398.13693	7.3
415.14780	14.4
447.22296	4.1
545.29749	2.9
581.24786	2.9
585.41675	2.6
607.26392	2.2
653.37323	7.2
803.40289	2.6
881.49500	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	881.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	5.9
67.62271	2.4
70.22293	8.6
71.01247	35.1
72.99167	3.5
73.02805	3.4
74.88379	2.4
75.00766	2.3
80.02551	2.5
83.01247	4.9
83.04919	4.7
85.02827	9.3
87.00737	12.4
89.02315	22.3
95.98325	2.5
97.02836	5.4
99.00759	4.9
101.02309	21.8
101.55814	2.1
112.98678	5.5
113.02314	7.7
115.00268	4.6
119.03422	6.1
122.62202	2.2
124.11109	2.2
125.02315	10.4
127.11179	3.5
141.01570	3.6
142.99748	9.8
143.03378	5.8
155.10735	2.2
161.04453	4.8
163.11192	3.4
165.12659	3.4
171.10159	3.2
173.00826	2.4
174.01633	14.8
175.02379	8.2
179.05487	4.4
183.13895	2.6
191.10725	2.4
201.11243	81.6
202.11588	4.5
209.11752	100.0
210.12125	5.6
211.13329	26.8
227.12723	13.7
235.08223	9.4
253.09360	6.9
255.23276	82.8
256.23611	9.4
263.12723	3.3
268.29678	2.3
277.21655	33.6
278.22095	2.7
287.07761	2.7
291.19568	5.5
293.21198	8.6
305.08798	3.6
309.20670	11.4
379.12357	11.6
397.13446	74.0
398.13953	3.1
415.14355	18.1
447.22275	3.2
498.28049	2.6
581.24615	3.0
599.25574	3.5
617.96179	2.8
653.37714	7.7
803.44122	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	881.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	2.5
63.03823	0.2
68.99668	0.4
69.03306	4.4
71.01249	21.6
71.04878	1.1
72.01598	0.4
72.99172	2.1
73.02818	3.2
75.00739	0.5
81.03314	0.9
83.01255	2.4
83.04883	0.7
85.02815	5.5
85.06461	0.5
85.99986	0.3
87.00748	5.6
89.02313	18.7
91.03878	0.3
92.53091	0.2
93.03342	0.6
95.01270	1.9
95.04864	0.5
97.02834	3.3
97.06458	0.3
99.00758	1.2
101.02316	17.2
103.03873	0.4
109.02808	0.5
109.06464	0.5
111.00753	0.4
111.04359	0.5
111.08003	0.5
113.02321	9.0
115.03900	0.4
117.96580	0.3
119.03381	4.4
121.02833	0.5
123.00740	0.3
123.04379	0.4
125.02328	6.4
125.09657	0.5
127.03849	0.3
131.03378	1.0
133.04936	0.4
133.10057	0.3
135.11644	0.5
138.14740	0.2
139.03893	0.6
141.01778	0.5
141.09142	0.3
143.03381	3.1
145.04906	0.3
149.04442	0.3
149.09657	0.3
153.09097	0.4
154.02130	0.3
154.17577	0.2
161.04454	4.3
161.13223	0.7
167.03401	0.4
167.10706	3.7
177.12737	0.8
179.05528	5.6
179.10655	1.4
179.14311	3.6
179.30203	0.2
185.11803	0.3
195.12013	0.6
195.13823	11.4
197.11772	0.6
199.06073	0.5
203.05600	0.3
205.12270	10.4
206.12660	0.3
211.13417	0.3
217.07118	0.6
221.06606	2.2
223.13333	100.0
224.13670	3.7
229.98271	0.4
235.08177	5.9
245.06734	0.3
253.00948	0.3
253.09183	1.4
255.23218	0.6
259.08264	0.6
259.20648	0.3
263.07639	0.7
265.14426	0.6
275.20099	0.8
277.21701	57.7
278.22037	3.2
287.07690	2.0
291.19809	0.4
293.21106	1.8
305.08780	1.8
309.20578	1.2
323.09808	2.0
341.10867	0.3
379.12451	7.1
380.12570	0.4
397.13467	44.4
398.13898	1.6
415.14545	10.5
416.14685	0.4
585.25275	0.3
603.26404	6.7
604.27136	0.8
621.17169	0.4
621.27484	8.1
622.28003	0.8
657.34387	0.5
675.35651	1.3
831.67682	0.3
881.50018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	8.0
63.22977	2.4
71.01248	39.4
71.57559	3.6
71.62791	2.1
72.35475	2.5
72.99171	14.1
73.02804	5.4
77.16821	2.3
78.95744	2.5
83.01262	7.1
83.04910	5.7
85.02842	6.4
87.00751	17.7
89.02309	17.4
96.95879	2.9
97.02829	5.4
97.06454	4.4
99.00729	9.2
101.02323	15.0
111.00740	2.8
111.07990	2.8
112.98685	21.0
113.02317	11.1
115.00243	15.7
119.03391	5.1
124.98662	2.5
125.02354	5.9
127.11173	4.5
129.01825	3.4
137.07011	2.6
141.01616	3.9
142.99760	29.3
161.04536	5.9
163.11246	3.7
171.10141	7.3
172.10490	3.1
173.00824	7.7
174.01613	38.5
175.02388	27.0
179.05498	5.8
182.84938	2.7
183.13802	5.3
197.11760	9.6
201.09547	4.7
201.11266	50.6
201.13016	1.9
208.10736	2.5
209.11751	83.8
211.13319	100.0
212.13707	4.2
223.13376	4.6
225.11253	5.5
227.12825	10.6
233.11813	2.8
235.08167	8.2
253.09270	19.0
255.23250	68.1
256.23615	5.4
277.21677	62.5
278.22104	4.8
287.07724	3.4
289.18063	10.6
291.19727	11.7
293.21155	16.1
307.19119	13.1
309.20651	30.9
379.12384	11.5
397.13470	49.5
398.13931	3.0
415.14688	12.9
447.22250	12.3
473.74265	2.6
625.92535	3.1
653.37659	4.8
745.41785	3.2
763.42267	5.7
803.42871	5.8
881.49249	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	881.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	7.9
62.92189	2.1
68.07075	1.7
68.76953	1.7
69.03331	3.8
69.76749	1.9
71.01248	33.6
71.58582	2.1
72.99171	11.4
73.02806	6.3
75.00745	30.5
79.95621	1.8
80.96366	1.7
81.03326	3.0
83.01250	5.4
83.04886	8.4
84.02027	3.0
85.02820	15.4
87.00745	20.8
89.02312	14.4
90.18266	1.7
93.03329	5.1
95.01244	3.5
95.04900	2.5
96.95891	21.0
97.02817	5.1
97.06438	2.8
99.00741	5.7
99.01823	2.1
101.02328	13.3
108.02020	6.8
109.02818	11.7
111.00766	3.2
113.02328	16.8
115.00253	29.7
117.03388	2.1
117.21149	1.6
119.03369	3.1
119.04857	3.4
121.02872	5.7
123.00824	3.7
123.04414	3.9
125.01545	1.8
125.02341	10.5
127.03894	4.0
128.03432	1.7
129.01825	3.1
134.03612	9.9
135.00731	2.6
135.02864	4.9
135.04378	5.6
136.01540	2.6
137.02348	10.7
141.04097	11.1
145.02766	2.0
147.04428	3.0
149.02364	9.9
149.06001	2.0
150.03099	7.7
151.00266	3.0
151.03938	4.1
152.01064	8.9
153.01842	12.2
160.01552	6.8
161.02353	2.5
161.04416	3.4
163.03889	3.1
163.11217	6.6
164.04637	6.3
165.05446	5.6
165.12733	5.5
167.03331	2.3
168.00566	2.4
169.04958	3.8
169.12251	4.7
171.10197	24.4
175.02431	46.9
175.03917	8.1
177.01778	2.2
179.05528	2.5
179.10658	2.1
181.12160	3.1
183.13748	2.9
190.02600	6.0
191.05544	4.1
193.04971	10.3
193.12193	2.4
195.06485	3.1
195.13756	2.6
197.11757	44.8
205.04951	7.4
207.10208	2.1
209.11755	100.0
210.12015	6.1
211.13350	2.7
223.06100	9.1
223.13409	2.0
225.11308	3.2
227.12894	9.5
233.11845	1.9
235.08176	2.3
239.12781	7.0
240.08505	1.9
241.14410	3.9
253.09248	7.2
267.07248	5.1
267.12338	2.8
284.03290	2.9
285.04053	12.8
285.13330	10.6
300.02878	4.7
301.03445	2.3
303.09433	2.4
315.07184	3.7
338.42880	2.0
369.92505	2.1
397.13583	2.6
463.08972	3.4
521.21948	3.5
713.33960	9.6
731.34839	36.0
732.34973	5.4
759.33038	2.6
761.36224	9.8
771.35199	2.8
789.35651	2.9
803.36945	7.1
849.37616	25.0
881.39978	19.3
882.39789	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	879.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	1.3
69.03313	0.9
70.15279	3.5
71.01244	10.9
73.02814	1.1
83.01247	2.5
83.04882	1.1
85.02803	1.7
87.00777	1.5
88.76770	1.0
89.02313	6.9
95.04887	1.4
97.02837	1.6
97.06446	1.1
101.02324	8.1
113.02329	3.1
119.03366	2.0
121.06488	1.0
123.04372	1.0
123.08006	1.0
125.02318	1.2
125.09581	4.0
137.09601	2.0
161.04424	2.4
163.11211	3.7
167.91240	0.8
171.10204	6.2
179.05482	1.4
181.12216	1.2
185.11719	5.0
191.14308	4.2
195.13815	9.9
197.11723	0.9
201.11191	2.0
207.10161	3.3
209.11736	8.2
211.13315	1.1
223.13333	5.6
225.11273	4.9
235.08144	3.9
237.11230	2.7
239.12834	0.8
245.19066	7.9
253.09250	23.9
255.23233	8.6
256.13147	2.1
256.23581	1.3
263.20117	2.3
275.20126	8.2
289.18066	47.2
290.18466	4.4
291.19617	1.8
293.21204	100.0
294.21518	8.8
307.19122	45.9
308.19348	2.7
351.28720	1.1
355.55576	1.0
379.12433	1.7
397.13507	5.3
412.98602	1.0
481.43576	0.8
525.27087	1.1
529.29614	1.0
543.28064	1.5
559.33575	1.0
580.65961	0.9
685.99048	1.1
879.49567	2.3
880.50629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	3.0
65.93057	2.2
66.43818	2.6
71.01260	22.6
71.57666	3.3
73.02818	6.7
83.01261	3.7
85.02831	5.5
87.00755	5.0
89.02329	15.0
90.20210	2.5
97.02850	6.2
97.06497	3.0
99.22026	2.3
101.02333	12.4
113.02345	7.3
119.03432	2.8
123.04352	3.5
125.02335	4.8
125.09650	5.8
126.30032	2.5
139.75330	2.6
161.04428	3.6
161.43301	2.8
163.11226	6.9
167.10661	2.5
171.10226	23.5
181.12270	2.8
185.11758	7.8
191.14326	7.1
195.13852	8.7
197.11771	9.8
201.11270	10.3
207.10187	8.6
209.11766	9.1
211.13199	2.4
223.13338	7.5
225.11292	27.1
225.97125	2.5
235.08142	7.4
243.12402	3.2
245.19078	10.0
253.09328	25.4
255.23260	37.2
256.23618	4.8
263.20035	4.2
275.20261	6.1
289.18097	63.7
291.19684	26.9
293.17972	5.7
293.21225	100.0
294.21503	10.1
307.19150	52.0
308.19513	3.7
309.20782	19.0
379.12482	7.0
397.13498	21.9
415.14343	4.1
525.26727	4.1
527.28546	3.3
543.27618	2.9
861.48737	10.3
879.49237	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	879.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98680	6.3
70.88738	2.3
71.01240	16.3
72.99184	2.1
76.64637	2.3
78.95715	2.7
83.44077	2.3
85.02826	2.9
89.02301	8.3
95.01256	2.5
97.06461	3.9
98.20567	6.0
101.02316	9.8
105.91650	2.0
113.02336	3.1
125.02367	2.8
151.11205	5.4
155.10686	2.6
161.04527	3.7
165.12784	5.4
171.10205	8.4
179.10678	4.3
181.12286	4.6
183.13716	2.2
191.10692	3.8
195.13792	7.9
209.11800	19.8
223.13345	8.0
227.12766	9.3
235.08180	4.7
245.19058	7.3
253.09245	22.0
255.23122	3.2
256.12988	2.6
263.20154	10.6
267.23425	3.0
275.20111	6.2
277.21646	9.5
289.18106	17.0
293.21207	100.0
294.21613	9.9
305.17316	2.7
307.19150	40.0
308.19394	5.1
323.18735	4.1
337.01135	2.6
397.13535	3.1
445.20740	10.5
543.28101	9.4
574.14325	2.4
716.85571	2.4
721.41711	4.6
780.85760	2.9
819.49323	4.7
820.47894	2.6
879.47632	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.495
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03324	1.9
69.60403	4.1
71.01250	16.2
71.04889	3.4
72.99167	1.2
73.02831	4.0
75.14850	0.6
83.01242	2.5
85.02823	4.2
87.00742	3.7
89.02315	11.1
95.01286	1.3
95.04907	1.5
97.02831	4.8
97.06457	4.0
99.00158	1.3
99.00756	18.3
99.92425	0.6
100.01128	0.7
101.02320	11.2
103.63849	0.7
107.70776	0.7
109.06453	2.0
110.03616	1.3
111.04357	1.0
113.02317	5.4
119.03378	3.0
123.08018	2.8
125.02327	3.7
125.09620	8.1
135.87801	0.9
142.02614	1.3
143.03349	1.1
161.04434	1.5
163.11188	11.2
171.10133	6.8
179.05527	1.7
181.12245	15.7
197.11757	0.9
199.13371	6.8
201.11293	2.9
207.10184	22.7
221.06593	2.2
225.11278	29.4
226.11633	1.4
235.08208	1.9
243.12334	13.1
244.12645	1.4
253.09293	1.0
255.23260	41.0
256.23599	2.2
291.20047	0.7
379.12491	1.2
397.13461	8.5
398.14337	0.8
415.14447	2.0
623.25360	1.8
641.26819	1.0
653.36279	0.8
861.47394	1.1
879.49548	100.0
880.49908	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	879.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	1.7
71.01250	21.2
71.04886	3.1
72.99152	2.1
73.02827	3.3
75.00730	0.8
81.03326	1.6
83.01251	2.0
83.04874	1.2
85.02822	4.5
85.65181	0.7
86.06078	0.6
87.00732	2.8
89.02312	13.2
95.01240	1.3
95.04886	1.2
97.02818	5.6
97.06471	3.0
99.00751	15.8
101.02306	12.1
109.06470	2.1
111.04415	1.1
111.08033	1.5
113.02310	6.5
119.03399	3.6
123.04427	0.8
123.08024	1.3
125.02311	4.4
125.09618	6.2
127.03905	0.9
127.11137	1.1
135.08035	1.1
136.05141	1.3
141.01843	0.8
142.02563	1.4
143.03369	2.1
143.10617	0.7
151.11200	0.8
161.04451	2.9
163.11179	7.1
169.12254	0.8
171.10175	8.2
179.05489	2.5
179.10741	1.3
181.12274	11.6
185.11786	1.0
195.13895	0.8
197.11766	4.3
199.13319	8.2
201.11142	3.9
207.10187	26.4
208.10533	1.4
221.06557	1.7
225.11253	39.1
226.11682	2.1
235.08203	3.4
243.12341	7.2
247.20689	0.8
253.09322	4.7
255.23253	57.1
256.23624	3.2
263.07364	0.7
287.07623	0.8
289.18094	3.5
291.19653	22.5
293.21191	2.9
305.08841	0.7
307.19131	1.7
309.20706	9.9
379.12448	2.3
397.13498	10.8
415.14575	2.7
527.28479	1.9
528.29871	1.0
583.41077	0.8
605.24426	2.2
623.25909	1.9
742.49457	0.7
861.48541	13.4
862.49469	1.5
879.49530	100.0
880.49976	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	875.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98686	5.4
70.87213	12.6
78.95829	4.3
85.02852	4.4
88.87749	4.5
88.98672	24.2
89.02339	9.8
96.95905	15.6
112.64055	4.4
116.92766	8.7
171.10193	9.0
188.11136	4.9
211.13240	9.2
216.60840	4.5
235.08205	12.9
253.09314	47.9
291.19595	5.8
293.21198	100.0
294.21539	5.8
309.20660	9.7
327.21753	76.8
328.22211	7.1
529.30347	11.1
537.88660	5.9
563.30914	15.9
820.96582	5.1
875.49060	37.6
876.48474	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	877.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00584	0.9
66.04530	0.9
69.03329	3.7
71.01256	17.8
71.04871	1.2
71.57747	1.6
72.99165	1.8
73.02802	1.8
74.28480	0.8
74.52643	0.9
75.00725	0.9
75.09065	1.1
83.01248	2.4
85.02824	3.9
87.00750	3.8
89.02317	11.1
97.02824	1.7
99.00762	1.3
101.02315	13.4
106.07903	1.0
113.02313	4.5
119.03400	2.5
119.39960	1.0
121.02892	1.4
123.04340	1.2
125.02236	1.3
125.09601	2.1
141.01799	1.3
149.09621	1.0
151.11176	2.6
153.12823	1.2
161.04485	1.7
161.09590	3.5
179.05559	1.6
179.10678	5.9
181.55023	1.0
197.11757	39.2
198.12065	2.0
205.08632	1.3
209.11766	5.6
210.37656	1.1
221.06577	2.1
223.09618	2.3
235.08183	1.4
241.10735	2.4
255.23244	51.9
256.23599	4.3
269.24710	3.8
324.38321	1.1
359.10986	1.0
397.13339	5.6
415.14175	1.7
578.45032	1.2
780.38062	1.2
824.01263	1.3
859.47577	1.5
877.47943	100.0
878.48328	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	875.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	0.9
69.03320	3.2
71.01254	5.4
72.99190	0.9
73.02828	1.4
75.00756	0.7
81.03329	1.2
83.00790	0.4
83.01260	1.9
85.02825	3.2
87.00767	0.8
89.02321	2.5
90.78366	0.4
91.01760	0.9
91.98620	0.4
93.03345	2.3
94.31531	0.4
95.01224	2.5
96.95876	3.4
97.02831	3.1
98.19740	0.9
99.00748	1.1
100.98489	0.4
101.02292	2.3
107.01247	1.1
107.04924	0.4
108.02057	2.3
109.02850	3.2
113.02318	2.6
114.05524	0.5
117.03381	0.6
119.03454	0.9
119.04917	1.2
119.99169	0.5
121.02830	2.5
123.00751	6.6
123.04392	1.3
124.01553	15.1
125.02330	51.9
126.02666	1.0
132.02094	1.0
133.02806	0.6
134.03604	3.0
135.00795	1.3
135.04424	1.2
136.01566	1.8
137.02345	5.6
139.03865	1.0
139.40935	0.4
141.04045	2.3
145.02840	0.6
147.04428	0.8
149.02354	6.9
149.05966	0.5
149.99483	27.1
150.03040	1.0
151.00299	3.6
151.03915	2.6
152.01071	2.4
153.01848	4.8
160.01566	2.3
161.02339	1.3
161.04504	0.8
163.03909	1.4
163.07538	0.5
164.04739	3.0
165.01921	0.8
165.05473	1.3
166.02463	0.5
167.03424	2.0
168.00545	65.7
169.01321	6.5
175.00223	1.4
175.03885	4.1
176.01060	0.8
177.01828	0.6
177.05461	0.6
178.02480	0.5
179.03418	1.6
179.06955	0.5
181.01393	0.9
183.13765	0.5
190.02618	2.9
191.03354	2.1
191.07050	0.7
192.00670	0.6
193.01297	0.9
193.04973	3.1
195.06564	0.8
199.07401	0.6
205.04996	2.7
209.11734	1.2
211.02422	1.0
217.04996	1.3
219.57784	0.4
223.06075	3.7
229.27751	0.5
235.05978	0.6
243.06459	0.6
263.07297	0.5
267.06772	0.6
269.04385	0.5
285.03952	2.3
299.05637	0.7
301.03519	0.5
309.07697	0.7
313.05594	10.0
315.07297	1.0
316.79623	0.5
322.08008	0.7
331.06668	100.0
332.07050	5.4
337.09207	1.7
353.10333	2.4
387.67850	0.5
395.81567	0.5
397.12982	0.6
399.05621	25.4
400.06021	2.4
493.13818	0.7
713.26068	11.7
714.26251	1.0
875.22021	10.6
875.43274	1.3
876.22559	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	875.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98674	0.3
68.41038	0.3
69.03323	2.8
69.53593	1.4
69.54012	0.7
71.01264	1.7
72.99203	0.4
73.02818	0.4
76.77248	0.3
81.03332	1.4
83.01254	1.3
85.02834	1.3
87.00767	0.4
89.02322	0.6
91.01791	0.6
93.03347	0.8
95.01249	2.0
96.95889	1.0
97.02820	3.1
98.20556	0.3
99.00733	0.5
101.02337	1.1
102.78602	0.3
107.01286	1.1
108.02059	1.5
109.02838	2.0
113.02311	1.1
119.01318	0.3
119.04916	0.9
121.02841	1.6
123.00764	6.4
123.04414	0.7
124.01549	16.4
125.02330	55.2
126.02658	1.3
132.02077	0.8
133.02818	0.5
134.03629	1.5
135.00777	1.2
135.04478	0.4
136.01553	0.8
137.02324	2.6
139.03880	0.7
141.01755	0.6
141.04120	1.0
145.02881	0.6
147.04407	0.3
149.02342	5.2
149.05974	0.3
149.99484	30.5
151.00267	3.7
151.03868	0.6
152.01077	0.5
153.01787	1.0
160.01576	1.7
161.02393	0.5
161.04428	0.5
163.03920	0.7
164.04710	2.8
165.01808	0.5
165.05443	0.4
166.99849	0.4
167.03429	1.7
168.00545	64.4
169.01312	6.2
175.00291	1.0
175.03885	2.5
177.01817	0.5
179.03462	0.5
181.05019	0.6
188.96820	0.3
190.02608	2.3
191.03346	0.5
192.00578	0.6
193.01341	0.8
193.04950	0.9
195.06461	0.3
196.15720	0.3
205.04915	1.6
209.11751	0.4
223.06053	1.8
223.08029	0.3
269.04498	0.4
276.55887	0.3
284.03278	0.5
285.04010	0.5
287.07651	0.4
313.05649	9.6
331.06683	100.0
332.07028	4.3
337.09277	2.3
353.10413	0.7
355.06363	0.4
399.05646	27.3
400.05911	1.3
429.10352	0.8
457.80688	0.3
469.16757	0.4
477.18674	0.4
499.99173	0.3
519.20245	0.4
544.57806	0.3
713.26160	1.2
875.22137	10.0
875.39227	0.6
876.22675	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	873.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43295	6.2
70.02219	27.9
71.01244	12.6
78.31419	6.6
96.95903	22.3
101.02313	8.9
116.92725	47.4
133.01476	15.4
150.04144	41.1
171.10246	9.7
195.13828	6.9
209.11757	15.8
235.08260	10.6
253.09317	31.8
263.79010	7.1
277.21713	16.9
291.19742	22.0
293.21021	9.8
309.20673	100.0
310.20975	13.9
327.21927	9.1
380.73627	6.9
545.29639	8.1
796.53918	9.3
873.47729	47.3
874.47333	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	873.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08702	8.3
67.34542	7.8
71.01261	15.0
73.33395	9.3
74.99598	9.9
88.98679	11.2
111.24507	8.7
114.93267	13.0
116.92757	12.2
151.50706	9.6
153.92558	7.7
171.10201	12.9
180.17447	9.0
197.11772	33.7
211.13373	20.2
229.68498	9.8
253.09294	26.5
277.21570	17.5
291.19696	29.3
293.21182	10.3
301.03012	9.5
307.60141	10.2
309.20667	100.0
335.11243	8.9
603.68610	9.7
763.97247	11.7
873.47400	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	873.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03815	1.2
67.01754	0.9
68.99683	1.0
69.03320	2.2
71.01252	34.2
72.99175	7.3
73.02796	3.2
74.15873	0.6
75.00742	16.5
76.96262	0.7
81.03322	1.1
83.01233	2.3
85.02821	34.7
87.00753	12.2
89.02315	11.3
91.01291	0.7
91.01766	4.6
91.03903	1.0
93.03327	2.7
95.01263	5.3
96.95894	7.2
97.02876	1.7
98.19726	1.4
99.00749	14.9
101.02320	3.4
103.00245	3.9
108.02048	2.1
109.02834	28.8
111.00748	2.5
112.01566	1.1
113.02331	42.2
114.02579	0.6
115.00233	1.4
117.01826	2.3
117.03323	0.9
119.04893	1.9
121.02842	1.1
122.03687	0.6
123.00744	0.7
123.04389	2.5
124.01539	0.6
125.02374	1.8
129.01817	2.9
131.03387	1.8
133.02856	1.2
134.03636	3.9
135.00795	8.7
135.04402	1.4
137.02350	3.8
139.00256	1.8
141.01866	0.6
141.04056	2.2
145.02808	2.0
147.04385	1.4
149.02370	1.6
149.04424	1.0
150.03114	1.5
151.00226	1.1
151.03882	0.9
152.01054	2.5
153.01830	9.8
155.03363	0.8
157.01343	1.5
159.02948	1.2
159.04384	0.7
160.01550	3.1
161.02316	1.3
161.04492	1.7
163.03908	2.8
165.01804	0.7
165.05473	1.6
166.02588	0.7
167.03481	0.8
175.02397	2.0
175.03931	3.8
177.01859	0.8
178.02663	1.0
181.04919	0.9
191.05524	2.5
193.03462	3.2
193.05006	2.2
195.06581	0.7
195.32892	0.6
205.05130	1.3
205.07108	3.3
207.05006	1.4
212.01079	0.7
227.48026	0.6
247.08269	0.9
249.06126	7.8
267.07202	100.0
268.07568	3.5
284.03183	0.9
285.03961	4.1
291.07224	11.6
327.08640	0.9
327.73383	0.7
331.06851	0.7
335.06198	17.2
336.06509	0.9
403.12668	1.4
417.56033	0.7
429.10339	1.9
447.11594	5.4
461.14706	1.0
471.11407	2.1
475.62366	0.7
508.88739	0.7
515.10565	1.9
605.14783	0.9
721.18207	1.9
765.17383	1.1
829.41577	2.4
873.22723	14.4
874.23865	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	871.469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	2.3
63.94820	1.9
69.03345	2.3
71.01256	21.6
71.56969	4.0
71.57317	2.4
73.02797	2.8
75.21197	1.9
83.01259	3.2
85.02823	6.6
87.00753	3.7
89.02306	18.0
95.04903	2.2
96.95899	2.5
97.02827	3.3
97.06453	7.5
101.02325	10.2
113.02327	4.5
119.03321	2.3
125.02310	7.8
151.11150	13.0
151.82666	1.8
161.04449	3.2
167.78059	1.9
169.12254	47.1
169.13661	4.1
195.10242	2.4
207.10213	2.5
211.13287	5.9
212.13664	2.8
213.11296	5.6
246.47614	2.3
253.09331	2.7
277.21719	42.1
278.22174	4.8
380.42899	2.5
397.13284	6.4
685.60968	2.2
717.55200	2.4
871.46924	100.0
872.46906	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	871.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	2.5
69.03310	2.4
70.14907	5.9
71.01248	14.2
73.02808	3.2
81.03332	2.4
82.95284	1.4
83.01274	4.2
83.04874	3.5
85.02811	12.9
87.00748	4.0
89.02309	8.9
89.02750	1.3
89.53075	1.3
93.07049	1.5
93.84615	1.4
95.04895	3.5
96.95877	20.1
97.02829	5.5
97.06458	7.2
97.37286	1.5
98.95450	2.2
99.00772	1.5
99.92455	2.5
101.02310	11.7
101.57827	1.4
109.02844	1.5
109.06443	1.5
109.71259	1.5
113.02332	4.0
116.92731	37.4
116.97137	4.3
117.01846	1.5
119.03337	2.3
121.06474	2.4
123.04411	2.1
123.08056	1.5
125.09599	9.4
127.11166	1.8
137.05963	1.6
137.09602	3.4
143.03517	1.6
145.04956	2.1
161.04427	3.6
163.11172	6.6
165.12772	3.5
167.10722	1.5
171.10170	38.5
172.10536	1.8
179.05479	2.7
183.13821	3.3
185.11742	8.5
191.14333	4.5
193.12212	1.5
195.82486	1.3
197.11821	8.5
200.91560	1.5
201.11180	1.6
207.10124	3.8
209.11765	40.9
210.12041	2.2
210.87161	1.8
211.13307	17.9
212.11263	1.3
212.13568	2.2
221.11839	2.4
225.11189	2.0
227.12863	8.1
229.14366	10.8
235.08168	6.5
237.11287	3.1
239.12794	2.3
245.18988	11.8
253.09236	24.9
263.20099	3.0
271.16956	1.9
289.18066	43.5
290.18494	2.9
291.19626	10.1
292.20007	1.5
293.21240	6.0
301.16937	1.5
307.19101	35.5
308.19516	3.8
309.20621	14.9
327.21732	100.0
328.21973	7.4
397.13492	2.6
445.20535	2.3
479.26987	1.7
504.55319	1.5
791.93555	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	871.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81383	8.2
70.81735	15.0
71.01256	23.0
79.06756	5.9
85.02838	7.7
89.02310	15.2
96.70136	6.1
96.95908	10.6
97.06432	6.6
101.02330	21.4
101.18660	5.9
113.02263	7.0
118.96143	6.4
125.02221	6.1
140.35562	6.4
151.11125	15.0
169.12267	49.1
182.21767	6.6
197.11829	17.3
197.53767	7.1
209.11671	8.2
211.13287	8.9
253.09218	10.5
261.08212	7.1
277.21716	43.7
278.22147	9.2
284.23422	6.4
289.18155	18.0
291.19748	8.5
307.19177	24.0
309.20654	37.9
353.15106	7.1
390.07584	7.0
397.13651	13.1
486.29694	6.6
736.90173	8.8
781.93420	7.4
833.85406	6.2
871.46649	100.0
872.47290	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	6.6
69.03313	3.0
70.61312	5.0
71.01258	45.1
72.99176	3.5
73.02843	4.8
75.00806	3.4
81.03356	2.6
82.95290	6.0
83.02383	2.3
83.04893	3.9
85.02846	8.4
87.00764	4.8
87.40599	2.1
89.02331	17.5
89.31020	2.1
95.04913	2.8
96.95892	100.0
97.06493	2.4
98.95486	12.6
98.96331	2.3
99.00783	3.8
101.02330	15.7
109.06503	4.0
113.02326	7.3
116.92728	4.0
119.03389	6.7
125.02303	7.3
143.03436	4.5
161.04489	5.2
163.11243	3.8
165.12762	3.6
171.10208	13.0
179.05521	10.6
181.12314	2.8
183.13878	16.4
197.11761	4.2
199.09668	16.2
201.11244	8.0
207.10255	13.8
209.11809	19.1
211.13330	52.0
211.15161	4.4
221.06583	3.4
225.11223	15.0
227.12859	13.2
229.14232	4.1
235.08128	3.7
253.09261	8.1
291.19656	3.4
293.21249	3.7
309.20728	5.7
325.20151	5.2
327.21738	7.7
375.21808	3.3
379.12360	3.2
393.22867	4.1
397.13489	35.6
415.14505	9.9
533.47650	2.8
591.26331	4.6
625.27240	3.2
651.91779	2.4
755.35205	6.4
773.35809	6.4
791.36835	5.7
799.38434	5.8
817.39044	13.8
831.37225	2.5
835.39172	12.5
871.37268	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	871.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	7.6
71.01255	29.6
71.57761	3.7
72.99148	3.2
73.02806	4.5
79.95566	2.8
82.95292	8.5
83.01257	2.9
83.04889	3.9
85.02818	6.2
87.00755	5.4
89.02309	18.6
96.95885	100.0
97.02756	2.8
97.06444	4.2
98.95477	6.4
99.00712	3.3
101.02327	16.6
109.06458	3.1
113.02314	9.8
116.92748	5.4
119.03374	3.7
125.02371	5.6
137.02316	3.3
143.03366	4.2
161.04506	3.4
163.11215	4.2
171.10152	16.4
179.05507	4.2
183.13805	12.5
197.11684	4.3
199.09673	11.5
201.11218	5.9
207.10172	11.8
208.10370	2.8
209.11780	23.1
211.13341	40.1
225.11247	13.7
227.12834	11.0
253.09319	5.6
263.08139	2.8
291.19684	4.0
303.39169	3.0
309.20636	10.2
315.47348	2.9
316.13876	2.6
325.20050	5.2
327.21597	14.7
343.21265	4.1
375.21689	3.3
395.67133	3.1
397.13507	23.9
415.14560	5.4
755.32080	2.9
773.36005	5.5
799.37366	6.6
817.38184	9.1
835.39410	10.8
871.38129	9.6
872.38324	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	871.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12140	7.2
70.15289	35.3
71.01250	16.9
81.16241	8.8
83.04881	8.5
85.02815	14.4
89.02337	8.4
96.95876	100.0
98.19838	9.2
99.92468	12.1
101.02318	14.7
106.61357	7.3
113.02360	13.8
116.92746	83.1
117.92750	26.8
118.96878	11.8
125.02361	7.7
138.32156	8.4
171.10210	29.0
185.11740	9.1
197.11742	35.9
209.11777	26.1
211.13390	27.9
212.13680	12.2
235.08249	13.9
253.09215	36.0
277.21780	16.4
289.18045	76.7
291.19730	26.4
293.21310	15.5
294.80322	8.3
307.19250	11.0
309.20697	75.4
310.20898	10.0
327.21753	12.8
341.23361	15.2
342.23492	8.7
343.24454	10.2
351.19092	10.5
397.13544	23.4
492.29205	9.1
700.86890	9.6
871.46277	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28652	0.6
61.98671	1.0
69.03309	2.2
71.01249	6.9
71.42873	0.6
73.02831	1.3
78.95740	0.9
79.95605	0.7
80.02616	0.5
81.03329	0.7
82.80097	0.6
83.01250	1.1
83.04881	1.9
84.02040	3.6
85.02818	2.1
87.00748	1.7
89.02316	6.7
95.04887	1.1
96.69128	0.6
96.95881	23.5
97.02811	3.2
97.06474	7.6
98.20581	1.3
99.04394	1.0
101.02311	6.3
109.06461	1.1
111.08041	6.3
113.02304	2.4
116.92752	8.4
119.03400	1.1
125.02332	0.8
125.09595	2.5
127.07516	1.1
137.09599	1.5
141.08980	0.6
143.03430	0.7
146.04497	1.2
151.11163	1.2
153.09026	0.7
153.12724	1.2
161.04456	3.4
165.12706	1.8
169.12267	3.0
171.10158	17.1
177.12759	0.8
179.05531	1.6
181.12151	1.5
183.13815	1.5
185.11641	0.7
193.12248	8.1
197.11761	39.5
198.12065	1.5
199.13257	1.9
206.45081	0.6
207.10193	0.7
209.11700	3.1
211.13312	13.8
212.13684	0.9
219.92009	0.6
221.11768	1.1
225.11322	0.8
225.14926	13.0
226.15311	0.9
227.12813	1.7
235.08131	4.0
243.15956	7.0
247.20630	1.2
253.09244	31.6
254.09766	0.9
263.20132	2.0
273.18646	1.3
277.21695	3.0
289.18042	1.2
291.19669	21.4
292.19962	0.8
307.19107	1.4
309.20691	77.9
310.21024	5.0
323.22208	1.6
325.20190	1.5
327.21689	1.2
327.25439	0.6
340.45718	0.7
341.23291	100.0
342.23621	6.5
379.11948	1.0
397.13254	2.9
428.25693	0.7
545.30011	4.2
577.32654	3.3
633.43555	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	869.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	0.7
63.94961	0.4
69.03314	2.2
71.01247	7.9
71.04906	0.5
72.99158	0.5
73.02801	1.4
78.95814	0.4
80.02552	0.4
81.03324	0.9
81.15809	0.4
82.95273	0.5
83.01249	1.0
83.04893	2.0
84.02039	4.0
85.02818	2.1
87.00747	1.0
88.82260	0.4
88.82846	0.4
89.02306	6.1
91.03873	0.4
91.47688	0.4
92.13766	0.4
95.01276	0.8
95.04884	1.1
96.95885	12.6
96.96816	0.5
97.02815	4.4
97.06458	7.3
99.00745	0.8
99.04388	1.1
101.02312	7.0
101.02964	0.2
103.71038	0.4
107.04937	0.5
109.06460	1.3
111.08037	6.6
112.08305	0.4
113.02325	3.7
116.33298	0.5
116.92743	0.8
119.03392	1.5
119.08598	0.6
119.92068	0.3
121.10117	0.5
123.04372	0.5
123.08035	0.8
125.02296	0.7
125.09624	2.0
127.05020	1.2
127.11184	0.7
128.03429	0.9
131.03320	0.4
135.08040	0.7
137.09599	2.0
143.03362	0.8
145.05043	0.6
145.06090	3.6
146.04442	0.7
151.11157	0.7
153.09146	0.7
153.12744	0.8
155.10683	0.5
161.04439	3.9
163.11179	1.5
165.12746	3.1
167.10645	0.7
169.12230	2.9
171.10167	20.8
172.10484	0.6
175.11075	0.5
177.12790	0.8
179.05493	1.3
179.14343	0.5
181.12282	1.8
183.13792	1.8
185.11823	1.2
191.14238	0.4
193.12262	9.5
193.15822	0.5
195.13878	0.5
197.11757	33.2
198.12097	1.5
199.13246	2.1
201.11172	0.6
207.13730	0.5
209.11784	3.5
211.13339	12.4
212.13708	0.6
221.11801	1.4
223.13438	0.6
225.11346	0.6
225.14902	11.6
226.15231	0.8
227.12823	2.7
229.14320	0.5
230.13126	0.6
235.08205	4.8
243.15953	6.4
247.20746	1.9
251.16628	0.5
253.09254	31.3
253.14514	1.3
254.09634	1.1
263.20035	2.5
265.17947	1.0
273.18576	1.4
277.21729	1.4
289.18054	1.2
291.19641	29.8
292.20007	1.7
293.21277	1.1
305.17755	0.5
305.21143	0.8
307.18982	0.9
309.20685	72.9
310.21036	4.5
323.18610	0.6
323.22220	1.0
325.20163	1.1
327.21643	1.4
341.23288	100.0
342.23593	6.6
357.22672	0.6
397.13495	1.5
400.64035	0.4
433.21207	0.5
527.28607	0.5
545.29742	2.0
546.29352	0.5
559.30878	0.7
577.32489	3.1
621.44879	0.4
633.43506	5.6
634.43732	0.9
873.29065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98677	0.2
64.28609	0.2
68.99674	0.3
69.03326	1.6
70.61607	0.2
71.01250	17.9
71.04845	0.2
72.28727	0.2
72.99184	1.4
73.02822	3.3
75.00739	0.3
81.03333	0.9
83.01254	2.1
83.04886	0.8
85.02818	4.1
87.00750	4.3
89.02312	17.2
91.03867	0.3
92.22840	0.2
93.03346	0.2
93.72143	0.2
95.01269	1.1
95.04912	0.3
96.95896	0.4
97.02829	3.0
99.00745	1.0
99.04385	0.4
101.02318	13.8
101.88158	0.3
102.02671	0.3
109.02833	0.3
111.00770	0.4
111.04376	0.5
113.02326	8.3
115.03894	0.3
119.03380	4.2
120.53381	0.2
124.01553	0.3
125.02337	6.6
127.03889	0.4
129.66838	0.2
131.03374	0.7
133.04898	0.3
139.03995	0.5
141.01849	0.5
143.03362	2.8
145.04958	0.6
161.04454	3.8
167.03400	0.5
167.10768	0.4
167.14273	0.6
169.05055	0.3
171.10207	0.6
179.05537	4.0
183.13821	6.2
184.14087	0.5
185.04521	0.3
193.12247	1.8
211.13326	100.0
212.13643	4.6
217.07079	1.0
219.05170	0.4
221.06590	1.7
235.08177	5.9
245.06639	0.3
253.09232	1.4
259.08188	0.6
263.07629	0.3
275.20148	0.3
277.21698	63.5
278.22028	4.0
287.07764	2.1
291.23300	0.3
305.08701	1.8
309.20728	0.6
319.22830	0.6
323.09665	1.3
327.21793	2.0
361.11288	0.4
379.12430	8.5
380.12747	0.4
397.13467	39.0
398.13721	2.7
415.14536	8.9
416.15106	0.5
591.26318	2.7
592.26624	0.3
609.27545	2.3
657.34558	0.4
675.35712	1.6
820.25665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98678	0.6
69.03323	1.5
71.01250	16.2
71.57710	0.2
72.01573	0.2
72.99173	1.7
73.02808	2.5
75.00748	0.2
81.03319	1.0
83.01259	2.3
83.04882	0.5
85.02817	4.2
87.00749	4.5
89.02312	14.4
91.03880	0.2
95.01242	1.5
95.04888	0.3
97.02823	2.3
97.06480	0.3
99.00776	1.0
101.02315	11.4
103.49857	0.2
109.02853	0.3
111.04375	0.5
113.02327	7.2
115.03875	0.3
115.17902	0.2
119.03378	3.0
121.02834	0.3
125.02332	6.3
127.03857	0.3
131.03391	0.8
133.04953	0.6
137.02298	0.2
139.03886	0.5
141.01810	0.3
143.03395	2.4
149.04442	0.5
161.04451	3.4
161.05678	0.4
165.12749	0.4
167.03391	0.5
167.10759	0.3
167.14270	0.8
171.10156	0.4
179.05533	3.6
181.12206	0.3
183.13829	7.1
184.14122	0.2
193.12277	2.0
199.06033	0.5
209.11775	0.2
211.13324	100.0
212.13652	4.0
217.07162	1.1
221.06573	1.4
229.14490	0.3
233.22591	0.3
235.08192	5.7
245.06680	0.5
253.09238	1.5
253.14435	0.4
259.08231	0.8
263.07422	0.4
268.49637	0.2
269.06726	0.3
277.21698	50.3
278.22000	2.9
287.07709	1.6
291.23203	0.2
305.08768	2.0
309.20877	0.4
323.09833	1.2
327.21747	1.7
361.11188	0.3
379.12424	6.9
380.12720	0.5
397.13470	34.9
398.13843	2.3
415.14511	8.2
415.19031	0.2
416.15222	0.3
437.33469	0.3
591.26703	3.0
592.27155	0.4
609.27600	3.8
657.34637	0.4
675.35895	0.8
708.46619	0.2
869.47015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	3.7
69.03326	2.4
69.28174	9.5
69.28597	12.5
71.01244	19.7
73.02814	3.9
76.78271	2.2
78.95809	2.5
85.02820	5.5
87.00732	6.1
89.02331	15.9
95.01289	2.1
96.95879	15.9
97.02823	5.3
98.19748	4.4
98.95477	3.2
99.00787	2.5
101.02303	13.5
107.85796	2.5
113.02345	7.1
116.92740	3.1
119.03398	5.0
125.02333	6.6
143.03387	3.1
161.04387	5.0
179.05519	4.4
183.13805	7.0
185.11600	2.0
209.11768	4.7
211.13345	100.0
212.13765	2.7
235.08109	8.1
253.09372	3.8
277.18918	4.0
277.21719	50.5
279.23117	2.4
289.18027	7.4
307.19165	7.7
320.19711	2.3
323.09360	2.8
379.12439	7.8
397.13474	38.9
415.14670	5.6
591.27002	4.0
797.76239	2.5
869.43658	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	869.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	0.5
65.31305	0.4
68.01003	0.4
69.03323	1.5
71.01254	15.5
71.36195	0.4
72.99172	1.5
73.02827	2.8
75.00738	0.5
75.27216	0.4
81.03313	1.2
83.01254	2.4
83.04852	0.4
83.20402	0.4
85.02809	3.5
87.00751	4.5
89.02312	14.9
95.01257	1.3
96.95890	1.8
97.02835	3.3
98.19793	1.4
99.00756	1.0
101.02318	13.0
103.55171	0.4
111.04413	0.5
113.02328	8.1
115.03867	0.5
119.03400	4.4
121.02805	0.4
121.47498	0.4
123.00752	0.5
125.02348	7.8
127.03963	0.4
128.04683	0.4
131.03372	0.5
139.03893	1.0
143.03419	2.4
161.04483	2.8
167.14247	0.5
179.05534	4.1
183.13841	6.2
191.23167	0.4
193.12273	1.4
199.06021	0.5
211.13332	100.0
212.13638	4.9
217.07118	1.1
221.06567	1.2
235.08200	6.0
245.06776	0.5
253.09323	0.7
263.07632	0.7
277.21716	57.6
278.22095	3.1
287.07751	1.8
291.23129	0.5
292.11420	0.4
305.08856	2.0
323.09738	1.2
379.12436	7.7
397.13501	40.4
398.13577	2.2
415.14532	9.4
515.95044	0.4
591.26727	2.2
609.27576	2.3
646.62146	0.7
657.34747	0.6
675.35883	1.6
737.72174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	3.3
69.85133	4.5
71.01253	91.4
72.01592	1.1
72.99168	3.5
73.02816	79.5
74.03131	0.9
74.79297	0.9
75.00715	1.0
78.70930	0.7
83.01258	26.6
85.02814	11.0
85.03297	1.2
87.00764	4.2
87.83125	0.7
89.02313	49.3
90.02660	1.3
93.03327	0.7
93.80218	0.8
95.01257	4.7
96.95897	1.7
97.02811	2.2
99.00744	1.8
99.04450	0.8
101.02319	100.0
102.02674	2.3
109.02819	1.1
113.02325	38.4
119.03389	23.6
125.02348	5.3
131.03384	9.9
137.02286	0.8
143.03403	11.3
149.04453	18.6
152.01160	0.8
153.01799	1.0
155.03381	3.3
161.04456	34.6
161.68233	0.8
162.04793	1.0
165.05450	0.7
173.04419	1.6
179.05530	7.5
191.05504	2.6
203.05588	4.3
221.06601	10.1
250.39580	0.9
261.13422	1.5
283.09799	2.3
303.14517	3.8
311.09128	7.0
326.11514	5.7
341.13916	8.9
626.14191	1.0
874.43671	0.8
880.70514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	1.0
68.20831	0.8
69.03323	0.8
69.47697	0.8
71.01261	4.5
80.96382	5.1
83.01212	0.9
86.01853	0.9
89.02299	3.2
95.04899	1.1
97.02824	4.4
101.02328	5.0
102.21944	0.8
111.04441	1.2
113.02316	2.3
142.49052	1.0
151.42136	1.0
161.04410	2.4
165.12721	3.3
171.10123	2.7
183.13702	1.4
195.13850	2.5
209.11707	1.4
211.13341	3.0
221.15344	1.0
225.00639	1.7
227.12764	2.0
235.08212	6.3
247.20554	3.4
253.09244	15.0
277.21701	100.0
278.22003	7.6
291.19623	31.3
292.20023	1.5
309.20682	62.3
310.21027	5.2
353.30093	1.0
414.49341	1.2
545.29443	1.9
569.42059	1.2
779.94916	1.2
800.62567	1.2
865.49762	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	865.5334
Annotation	Unknow
Peak:m/z	Relative Intensity
62.60467	0.8
63.41696	1.0
71.01257	7.6
71.06818	1.2
71.07149	1.4
73.02831	1.1
83.01270	2.0
83.04886	1.2
87.00734	1.5
89.02301	6.6
90.02626	1.3
101.02312	6.3
113.02338	3.6
119.03357	1.4
121.62917	0.8
125.02338	2.2
143.03419	1.0
161.04414	1.7
163.11125	1.4
179.05467	2.1
195.13844	7.8
209.11766	20.2
210.12076	11.7
211.12045	1.3
211.13622	1.2
212.26508	1.0
223.13281	3.9
227.12808	2.2
228.13367	2.1
235.08249	2.9
253.09251	19.7
255.23253	12.0
256.23636	8.0
257.23679	1.9
275.20197	4.9
291.19528	1.1
293.21219	100.0
294.21524	7.0
305.08774	1.0
379.12433	1.7
380.12787	1.2
383.43323	1.0
383.47772	0.9
397.13287	5.6
398.13751	4.5
399.14093	3.9
415.14319	1.4
529.30103	2.6
569.41882	1.8
739.32373	0.9
840.74707	1.0
850.37262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02253	1.1
65.00194	0.6
68.62492	0.1
71.01251	0.3
82.14825	0.1
85.02811	0.3
89.02315	0.4
91.79321	0.2
92.56463	0.1
93.03321	0.3
96.95876	0.3
99.00719	0.2
101.02327	0.2
107.01265	1.3
108.02052	0.2
111.00649	0.2
113.02266	0.2
117.03337	2.5
118.03701	0.2
119.04907	0.2
127.40386	0.1
135.04362	0.3
149.02373	0.7
151.00255	0.7
152.01015	0.2
153.01840	0.2
157.06415	0.2
159.04414	1.1
161.02361	0.8
162.02895	0.2
163.44202	0.2
169.06506	0.4
180.05746	0.2
181.06528	0.5
181.08168	0.2
183.04408	0.6
196.05070	0.2
197.05988	0.5
201.05518	0.5
224.04579	0.3
225.05530	1.1
227.03459	0.4
240.04320	0.3
268.03751	6.7
269.04535	100.0
270.04886	5.0
285.03961	0.2
287.05786	0.2
288.02713	0.6
303.05292	0.2
311.05603	2.5
335.05811	0.2
347.04184	0.6
413.09045	0.3
431.09842	0.6
473.10834	4.2
474.11151	0.4
623.17108	0.2
865.27667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21706	0.9
71.58384	0.9
79.51315	1.0
81.03291	1.3
83.01263	3.4
85.02830	1.9
93.03345	1.6
94.93117	0.8
95.01254	0.9
95.04890	1.7
97.02842	1.6
107.04935	0.9
108.02008	1.3
109.02827	10.4
117.03372	1.1
121.02830	2.5
122.03693	0.8
123.00754	1.0
123.04414	8.2
125.02333	100.0
126.02649	2.9
131.04965	1.2
133.02815	5.4
134.03574	0.9
135.04433	2.8
137.02347	13.2
139.03889	2.2
145.02832	1.2
147.04399	1.5
148.01549	1.3
149.02339	3.0
151.03928	11.3
159.04381	2.7
160.01598	1.2
161.02347	31.8
161.05962	2.2
162.03008	3.5
163.00266	2.4
163.03912	5.1
164.01038	6.0
165.01855	5.7
167.03392	2.2
173.04500	1.6
173.05972	1.5
175.03909	16.1
176.01089	1.4
177.01868	9.9
179.03384	2.9
187.03966	3.9
189.00230	0.9
189.01860	2.8
191.03339	0.9
191.05510	3.2
193.04997	2.3
199.03865	5.0
200.04672	0.9
201.01782	1.5
201.05490	2.4
203.03459	2.8
203.07021	4.3
205.01370	1.8
205.05016	4.4
211.04037	1.0
215.03378	1.8
217.04985	9.3
219.02907	3.6
219.06584	1.1
225.05486	1.6
227.03471	1.1
229.05025	2.0
231.02930	1.6
243.02931	17.6
244.03441	1.1
245.04515	9.4
245.08125	5.5
253.04890	1.1
255.02954	6.5
256.03650	2.3
257.04459	1.9
261.04025	5.9
269.04541	3.7
273.04047	2.8
281.04535	2.7
283.02374	2.6
285.04041	3.3
286.04532	1.2
287.05597	28.2
288.05939	1.3
289.07184	22.3
290.07385	1.3
297.03836	1.0
299.05554	3.5
327.05200	1.2
339.08655	1.2
341.06464	1.9
381.09747	1.5
391.04541	1.1
405.06140	5.5
407.02225	1.3
407.07639	23.6
408.08075	2.5
413.08862	7.3
423.06927	5.0
425.08740	12.9
435.07126	1.2
449.08798	5.6
451.10422	8.7
493.11722	1.1
525.07959	1.2
533.10406	0.9
543.09229	4.3
559.12457	1.4
561.10364	2.4
569.10840	1.3
575.11560	3.8
576.12714	1.0
577.13361	10.8
587.11707	2.7
677.13586	1.4
695.13879	5.2
696.13940	1.2
713.15057	2.2
739.16669	1.9
865.20325	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57783	1.0
71.58137	1.0
79.62537	1.1
80.20289	0.9
81.03316	2.0
83.01264	3.4
85.02804	1.1
93.03342	1.7
93.28971	0.9
95.04901	1.0
97.02832	2.0
107.04934	2.4
109.02824	10.1
121.02863	1.8
123.04427	7.7
125.02332	100.0
126.02681	1.6
131.04962	1.6
133.02843	4.6
135.04393	3.3
137.02356	12.3
139.03922	2.0
149.02348	4.8
149.05988	1.2
151.03900	10.4
159.04431	3.1
161.02347	33.4
161.05975	2.4
162.02942	3.2
163.00272	3.0
163.03897	4.0
164.01080	5.5
165.01859	3.9
171.04395	1.1
173.05968	1.6
175.03906	14.9
177.01797	9.8
177.05513	1.6
179.03423	2.5
187.03929	3.8
189.01839	1.7
199.03943	2.4
201.05502	3.1
203.03416	2.8
203.07082	3.6
205.01428	1.6
205.05026	1.9
214.02641	1.2
215.03398	1.8
217.04884	4.8
219.02898	3.2
219.06424	1.6
225.05424	1.3
227.07127	1.5
228.04141	1.1
229.05072	2.3
231.02927	1.3
241.05090	1.1
243.02928	14.3
245.04486	10.9
245.08095	5.5
253.04967	1.3
255.02969	7.9
256.03668	2.4
257.04395	2.7
261.03976	5.5
269.04514	2.4
273.03967	1.9
281.04648	1.5
283.02396	1.3
285.04080	2.0
287.05603	27.6
288.05829	1.4
289.07162	21.4
290.07458	1.4
299.05563	3.1
315.08853	1.3
339.08633	2.0
341.06647	1.1
383.07935	1.3
405.06223	3.9
407.07654	18.4
413.08762	6.1
423.07178	3.8
425.08878	9.8
449.08795	5.8
451.10342	6.8
496.93332	1.1
543.09393	4.4
561.10474	2.0
569.11139	1.5
575.11938	4.1
577.13312	8.2
587.11865	1.6
695.14044	6.1
696.14453	1.3
713.14740	1.4
739.16473	2.2
865.19495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34563	5.2
71.01248	5.2
78.95782	2.5
79.95623	1.4
80.96377	4.5
81.03286	1.2
83.01248	2.0
83.89594	1.5
85.02808	1.9
89.02296	2.1
94.16769	1.3
94.97992	1.2
96.96884	1.2
97.06473	5.1
101.02320	5.4
113.02336	2.9
116.92677	2.9
125.09640	4.3
137.09579	2.6
161.04584	1.7
163.11194	4.3
167.61807	1.2
185.11676	4.4
191.14287	7.0
195.80113	1.3
207.10199	1.4
209.11748	10.0
211.13182	1.8
225.11235	2.1
235.08092	1.5
237.11232	4.0
239.33510	1.2
245.19069	14.4
253.09230	15.7
263.20099	3.6
271.17130	1.4
277.21701	100.0
278.21997	5.6
289.18085	79.9
290.18393	6.0
307.19119	59.4
308.19492	4.4
423.55261	1.7
525.27008	3.6
774.08826	1.6
803.48676	1.9
863.48560	8.2
864.49268	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	863.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98699	3.0
69.87923	12.1
71.01254	10.5
83.04916	4.9
85.02826	2.5
89.02299	5.7
93.03333	7.0
97.06479	2.8
97.17020	2.1
98.20461	3.6
99.00727	3.3
101.02333	9.6
103.26178	2.2
111.08073	2.6
113.02325	3.9
117.07002	5.0
119.08557	10.3
125.09621	5.1
133.06442	3.2
135.08060	29.0
161.04482	2.9
171.10194	62.8
205.15938	3.9
209.11749	9.6
211.13278	2.9
233.15500	5.6
249.15012	11.1
253.09283	12.7
255.23320	5.5
261.18497	2.3
277.21722	100.0
278.22183	8.4
279.19916	3.2
289.18076	41.2
307.19189	41.0
397.13330	5.0
407.19144	4.9
494.24487	2.6
525.26941	11.4
543.28168	10.4
768.64758	2.5
785.48041	11.0
786.48401	3.9
803.49426	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	863.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19236	1.2
61.78926	1.0
71.01254	4.6
71.04850	1.7
71.57649	1.5
88.24113	1.1
89.02325	4.3
101.02313	3.9
104.18453	1.5
109.06468	6.9
111.04413	2.4
113.02348	1.4
123.08042	1.5
143.10701	1.4
145.06473	2.1
161.04449	1.5
163.58438	1.1
167.10687	1.5
179.10811	1.0
192.29993	1.1
195.13824	2.1
207.39966	1.1
209.11662	1.8
228.52066	1.3
235.08232	1.8
245.19069	4.7
253.09221	7.0
255.23241	1.9
270.60284	1.1
277.21729	62.2
278.22031	4.5
283.26483	1.3
287.16479	2.3
289.18097	100.0
290.18417	9.1
291.19641	2.5
307.19156	4.9
397.13293	3.0
419.99646	1.5
449.43674	1.4
525.26807	2.8
796.85956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99650	0.4
69.03318	1.1
71.01249	18.7
72.99184	1.7
73.02805	2.9
76.94673	0.3
80.02528	1.0
80.15538	0.3
81.03320	2.0
83.01252	2.3
83.04893	5.1
84.02036	0.7
85.02819	4.2
87.00744	4.4
89.02313	14.2
91.03858	0.4
93.03316	0.4
95.01260	1.3
95.04891	0.7
97.02831	2.5
99.00727	0.8
101.02316	12.6
102.02679	0.3
111.04416	0.6
113.02318	7.3
119.03391	4.0
123.04436	0.3
125.02326	5.9
125.05983	0.4
129.01822	0.3
131.03392	0.6
133.05011	0.3
135.08034	0.7
139.03900	0.7
141.01601	2.1
143.03421	2.4
149.04503	0.3
161.04463	3.2
163.11203	3.1
165.12798	2.3
167.03371	0.4
179.05499	3.2
181.12236	0.6
185.04588	0.3
191.10704	1.0
194.80186	0.3
199.06003	0.5
199.13388	0.4
209.11755	100.0
210.12093	5.1
217.07091	1.2
221.06575	1.5
225.11229	0.4
227.12827	14.1
228.13112	0.9
235.08195	6.3
235.28354	0.3
245.06625	0.5
251.12898	0.4
253.09285	0.8
255.23253	53.7
256.23630	3.3
259.08066	0.4
263.07721	0.5
269.24777	0.8
287.07693	1.4
305.08804	1.9
323.09735	1.3
379.12411	8.4
380.12570	0.4
397.13477	40.3
398.13861	2.7
415.14536	7.4
416.15060	0.6
589.25177	0.5
607.26245	1.0
635.36444	0.4
653.37476	1.2
863.49915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86955	4.6
71.01254	23.3
73.02819	3.1
75.33967	1.4
83.01233	2.3
85.02806	4.3
87.00759	2.4
89.02319	19.4
95.01246	1.8
97.02853	3.5
101.02322	15.3
107.21853	1.5
113.02309	7.8
119.03387	4.5
125.02319	5.3
127.03873	1.5
143.03368	2.5
161.04462	2.4
165.12769	5.9
179.05502	1.8
182.01678	1.4
183.13834	48.2
184.14160	2.8
209.11752	2.6
212.88780	1.5
221.06671	3.5
227.12756	4.1
235.08350	1.6
255.23274	73.8
256.23630	4.9
291.19632	3.1
379.12344	1.8
397.13507	9.5
415.14700	2.3
863.50092	100.0
864.50281	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	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.2
71.01247	16.4
71.20752	0.6
72.99175	1.4
73.02816	2.7
75.00724	0.4
79.47791	0.2
80.02541	1.5
81.03312	1.6
83.01254	2.2
83.04885	4.7
84.02041	0.9
85.02820	4.2
87.00746	4.6
89.02309	13.9
95.01258	1.7
95.04900	0.8
97.02810	3.1
99.00751	1.1
101.02317	11.6
101.02995	0.4
102.02641	0.3
109.02805	0.3
109.06463	0.3
111.04408	0.5
113.02322	6.8
115.03882	0.4
119.03375	3.6
125.02320	6.1
125.05915	0.3
129.23650	0.2
131.03348	0.7
133.04918	0.5
134.61946	0.3
135.08046	0.7
139.03897	0.5
141.01817	0.4
143.03392	2.6
145.04967	0.3
147.11726	0.3
149.04463	0.6
161.04468	3.1
163.11195	3.6
165.12740	2.5
167.03276	0.4
171.63336	0.3
179.05522	3.7
181.12241	0.5
191.10684	0.8
199.06039	0.7
199.13287	0.4
209.11751	100.0
210.10287	0.5
210.12102	5.4
217.07146	0.7
221.06573	1.0
227.12814	11.6
228.13101	0.5
235.08182	5.8
245.06667	0.3
251.12785	0.4
253.09233	1.0
255.23241	54.2
256.23584	3.4
259.08243	0.4
263.07693	0.5
269.24841	0.5
287.07687	1.9
297.24191	0.4
305.08963	1.4
323.09875	1.2
353.17804	0.3
379.12408	7.9
380.12613	0.7
397.13446	40.3
398.13858	2.2
415.14542	8.0
416.15027	0.4
541.63660	0.3
589.25439	0.6
607.25806	0.5
635.36505	0.6
653.37518	1.6
654.37341	0.3
783.07172	0.3
863.49689	0.7
870.79333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	2.2
69.03304	1.4
71.01247	11.8
71.58947	0.6
71.76340	0.7
72.99168	2.1
73.02811	1.0
75.00751	2.5
78.95785	1.0
81.03350	0.7
83.01265	1.4
85.02818	2.8
87.00728	2.0
88.98654	2.8
89.02303	11.0
92.92672	1.1
95.01250	1.6
96.95879	1.4
97.02817	2.5
99.00761	1.1
101.02317	7.6
111.37186	0.8
113.02328	5.4
119.03373	2.5
125.02322	2.8
141.04066	2.7
143.03362	1.6
161.04474	2.6
165.12799	1.2
167.14301	0.9
171.10136	7.0
172.10512	2.8
175.17764	0.8
179.05518	3.0
183.13814	7.5
193.12273	2.3
197.11714	2.6
209.11734	0.9
211.13322	100.0
212.13672	4.5
221.06544	1.0
235.08217	3.3
263.07849	0.8
266.56323	0.6
287.07587	1.1
291.19720	2.0
292.20108	1.8
293.20627	0.9
303.09488	1.7
305.08844	1.1
309.20691	5.0
310.20984	5.0
311.21213	0.7
343.78687	0.8
371.08316	0.7
379.12326	4.6
397.13495	22.5
398.13815	2.3
415.14682	4.0
415.19614	1.0
416.14825	0.9
567.52197	0.7
591.26508	7.4
592.26410	1.4
609.27777	8.9
610.27600	1.4
785.38940	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	3.5
71.06452	1.8
71.06762	2.1
75.00751	2.2
82.54834	1.8
83.01246	2.3
85.02808	2.8
87.99166	1.5
89.02285	4.2
94.03193	1.6
97.15192	1.6
101.02299	3.6
103.00210	2.3
113.02324	3.4
116.92727	5.4
161.04457	2.4
171.10213	10.0
179.05444	3.1
195.26813	1.9
209.11812	1.9
211.13293	6.8
229.14488	3.7
235.08217	14.4
253.09245	35.1
277.21695	54.6
278.21945	3.9
291.19730	5.9
309.20676	25.1
327.21738	100.0
328.22055	7.2
513.30701	5.5
545.29474	19.1
563.30597	17.7
564.30963	3.5
587.42767	6.5
823.52246	6.8
859.49530	19.6
860.49988	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	859.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98681	1.0
62.80813	0.4
65.03814	0.4
68.99669	0.5
69.03329	2.3
71.01249	8.1
72.99194	0.7
73.02812	1.8
75.00740	0.7
78.95778	3.3
81.03322	0.8
82.56841	0.4
83.01266	2.0
85.02811	5.2
87.00741	1.0
89.02310	3.4
91.01755	3.3
91.24931	0.4
92.93905	0.4
93.03316	2.6
95.01254	3.5
96.95885	2.7
96.96827	4.6
97.02821	1.4
99.00751	0.9
101.02312	4.5
108.02043	78.0
109.02838	31.6
110.03179	0.9
111.00750	0.9
112.01669	0.4
113.02319	4.7
117.03397	0.5
119.03418	0.5
119.04926	0.9
121.02863	3.1
123.00752	2.1
123.04395	1.6
125.02335	2.7
127.00267	1.1
132.02100	0.9
133.02858	3.0
134.03641	2.4
135.00771	13.1
135.04396	1.8
136.01564	0.4
137.02319	1.6
139.00246	1.2
139.03839	0.5
141.04076	0.4
143.64752	0.4
145.02809	0.8
147.22052	0.4
149.02325	4.6
150.03036	0.8
151.00256	0.8
151.03885	2.5
152.01048	80.9
153.01834	43.9
153.02882	0.5
154.02165	1.3
160.01524	1.3
161.02342	1.2
161.04382	0.8
163.03903	3.2
164.04695	2.5
165.01866	2.8
165.05464	1.3
167.03403	0.8
173.02353	0.4
175.00230	1.1
175.02452	0.6
175.03911	1.4
176.01057	1.9
177.01840	31.7
178.02298	1.2
179.03409	0.6
179.07007	0.8
181.04912	0.7
189.01740	0.5
190.02643	2.1
191.03351	1.2
193.01152	0.6
193.04962	1.7
195.02884	0.6
205.04988	1.8
205.12157	0.4
209.11842	0.5
223.06082	3.5
227.12874	0.5
229.03496	0.7
256.39789	0.4
267.07202	0.5
269.04559	0.8
271.04807	0.5
284.03259	0.8
285.04034	3.0
297.06091	3.2
315.07187	100.0
316.07452	5.3
331.06470	0.4
339.07159	48.5
340.07480	2.8
357.08331	0.8
365.05136	0.7
383.06152	24.6
384.06293	1.9
385.11484	0.9
385.18616	0.8
401.07199	17.6
402.07648	0.8
405.11871	1.0
407.06122	1.1
421.69168	0.4
437.07172	1.2
445.43790	0.4
453.11530	0.5
453.17590	3.5
515.11566	0.8
520.09918	0.5
653.17200	0.8
859.22998	1.1
859.39783	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	859.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09095	0.6
68.28224	0.5
69.03328	5.4
71.01256	4.9
71.59267	0.9
72.99204	0.9
73.02827	1.0
75.00761	1.0
81.03337	1.4
83.01256	1.0
85.02822	4.8
87.00774	1.3
89.02354	1.6
91.01781	5.2
93.03356	3.4
95.01272	2.3
96.95880	4.9
97.02824	3.4
99.00772	1.4
101.02341	1.6
106.00568	0.7
107.01287	0.9
107.04895	0.7
108.02052	72.4
109.02849	17.0
110.03210	0.8
111.00760	1.1
113.02343	2.6
115.00301	0.7
117.03367	1.8
119.01302	0.9
119.04913	3.6
121.02825	3.7
123.00745	2.1
123.04429	1.6
124.01579	0.8
125.02348	6.6
132.02066	8.1
133.02878	6.8
134.03633	31.0
135.00775	11.2
135.04459	5.2
136.01543	0.9
137.02364	5.4
139.03850	0.8
141.04153	0.9
145.02928	1.6
147.00830	0.7
147.04422	0.8
148.01495	0.8
149.02371	6.3
149.05972	4.3
150.03099	1.7
151.00229	2.8
151.03932	1.9
152.01057	100.0
153.01848	32.9
154.02148	1.0
155.03430	0.6
156.92003	0.5
159.04367	1.0
160.01570	38.0
161.02353	20.4
161.05969	0.7
161.09569	0.6
162.02866	0.7
163.03911	2.9
164.04698	2.9
165.01801	1.4
165.05504	1.2
166.02657	0.7
167.03447	2.6
168.00565	1.1
173.04448	0.9
174.03151	1.2
175.00409	4.5
175.03922	41.9
176.01057	3.3
176.04344	1.9
177.01846	2.7
178.02635	5.0
179.03471	4.2
179.07080	1.0
181.05006	0.7
190.02654	10.4
191.03381	2.5
191.05505	2.7
193.04984	21.2
194.05565	1.2
195.06493	0.7
202.02594	1.3
205.04976	8.3
209.04523	1.1
217.04997	1.1
221.04338	0.8
223.06140	3.0
243.06586	1.7
267.07053	1.3
268.03799	0.6
269.04416	0.8
284.03284	1.2
285.04080	6.3
286.04431	0.9
291.97122	0.7
297.06076	4.7
315.07230	3.0
322.06894	1.0
323.07666	3.0
325.09509	0.8
337.09280	6.2
339.07248	2.0
353.08765	1.5
367.10281	4.8
447.12991	5.6
448.12982	0.7
487.12332	0.8
491.11899	56.8
492.12167	6.0
505.13492	10.6
506.13757	1.0
533.12787	2.2
635.15771	1.0
653.17212	20.4
654.16949	2.3
815.24585	0.8
859.22839	40.7
860.23291	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	859.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	0.8
65.03829	5.3
67.01747	2.8
69.03325	0.4
69.22548	0.2
69.33895	0.5
69.34314	2.0
71.01249	3.9
72.99156	0.5
73.02810	1.1
75.00715	0.6
83.01260	0.7
83.04879	0.5
85.02822	2.0
87.00732	0.6
87.77296	0.2
89.02307	1.0
91.01747	1.8
93.03333	0.6
95.01250	0.5
96.95894	1.7
97.02817	0.3
98.20516	0.4
99.00737	0.7
101.02313	2.0
103.00224	0.3
108.02042	0.4
109.02824	61.5
110.03155	1.9
113.02331	1.6
119.04916	0.5
121.02821	1.1
123.00774	0.4
123.04363	0.3
125.02302	0.7
132.02049	0.3
133.02859	0.6
134.03635	0.6
135.00761	11.6
135.04382	0.5
137.02330	1.1
147.04335	0.3
149.02333	5.4
150.03062	0.4
151.00246	0.3
151.03896	0.8
152.01065	0.6
153.01823	100.0
154.02167	2.8
159.57396	0.3
160.01535	0.8
160.96031	0.3
161.02339	0.6
161.04449	1.2
163.03888	0.7
164.04674	2.9
165.05417	0.4
165.12759	0.4
171.10188	0.2
175.00232	1.4
175.02469	0.2
175.03891	0.7
177.01851	0.8
179.06958	0.3
181.05020	0.4
182.25026	0.2
183.13835	0.6
190.02606	3.3
191.03214	0.3
193.04974	1.0
195.06592	0.5
205.04959	3.2
206.05522	0.3
209.04454	0.3
209.11768	0.8
211.56581	0.2
223.06038	2.9
227.05164	0.2
243.06598	0.7
256.03824	0.2
267.07266	0.3
269.04449	0.6
273.39133	0.3
284.03207	0.3
284.51218	0.3
285.04050	0.8
315.07175	20.8
316.07510	1.1
339.07132	1.2
383.06113	7.0
383.10645	0.5
384.06680	0.5
475.16150	1.8
477.19849	1.0
512.36743	0.3
521.40253	0.3
859.23621	1.2
860.24170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	0.6
69.03315	2.4
69.95330	0.3
71.01253	7.9
72.86241	0.3
72.99189	0.5
73.02810	1.6
73.88197	0.3
75.00730	0.6
78.95778	3.5
81.03331	1.0
81.87653	0.4
83.01267	2.4
85.02821	6.1
87.00745	0.9
88.98690	0.4
89.02308	2.7
90.53156	0.4
91.01749	1.9
93.03349	2.5
95.01269	3.8
96.95910	2.1
96.96829	4.5
97.02843	1.4
98.20568	0.8
99.00741	1.7
99.04367	0.4
100.32425	0.4
101.02331	4.0
103.00224	0.4
107.01308	0.4
108.02054	72.7
109.02850	29.9
109.03940	0.5
110.03189	0.6
111.00780	0.5
113.02326	4.2
117.03390	0.4
119.03374	0.8
119.04887	0.8
119.56597	0.3
121.02847	3.5
122.03640	0.6
123.00771	3.0
123.04439	2.0
125.02349	3.2
127.00245	1.3
132.02072	1.4
133.02853	3.8
134.03630	2.2
135.00783	12.2
135.04391	1.0
137.02330	1.8
139.00250	0.5
141.04128	0.7
143.03430	0.5
147.04402	0.6
149.02353	4.1
150.03151	1.0
151.00252	1.2
151.03941	3.0
152.01062	80.9
153.01849	45.3
153.02875	0.5
154.02179	1.1
155.03481	0.4
160.01546	1.6
161.02359	0.7
161.04480	0.9
163.03947	2.5
163.41687	0.5
164.04700	2.4
165.01852	3.0
165.05412	1.1
166.02660	0.4
167.03374	0.6
168.00510	0.5
169.01289	0.5
170.39418	0.4
170.87901	0.3
175.00317	0.6
175.02541	0.5
175.03906	1.9
176.01068	1.8
177.01855	33.6
178.02234	1.2
179.03320	0.6
179.05551	0.4
179.07051	0.6
180.56100	0.4
181.04977	0.9
187.02524	0.4
189.01814	0.6
190.02576	1.7
191.03424	1.1
191.05559	0.6
193.04991	2.6
195.06630	0.6
205.04950	1.8
205.12250	0.4
208.03760	0.7
219.02873	0.6
223.06093	3.0
225.03970	0.5
229.03395	0.4
229.66335	0.5
243.06570	0.5
269.04547	0.7
272.69162	0.3
273.11285	0.8
284.03241	0.7
285.04028	2.0
297.06171	3.3
315.07217	100.0
316.07587	5.0
339.07202	47.4
340.07458	2.9
357.08197	0.8
358.08145	0.4
365.05386	0.6
383.06183	23.5
384.06573	1.9
385.11526	0.5
401.07251	17.7
402.07501	1.0
405.11722	1.4
407.06277	1.7
437.07355	0.6
453.17661	3.3
473.10553	0.7
515.12073	0.8
545.12817	0.4
653.17535	1.1
859.23486	1.0
859.40228	1.5
860.41174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41559	1.9
61.98708	2.4
68.27479	1.9
70.80929	2.0
70.81295	7.1
71.01255	15.1
73.02797	4.1
75.91461	1.7
85.02827	3.9
87.00748	4.9
89.02320	13.7
96.95864	7.8
97.02843	3.5
99.92443	4.2
101.02306	11.8
113.02286	6.8
116.92730	25.1
119.03342	4.0
120.61349	1.9
125.02299	4.4
143.03343	2.5
161.04453	3.7
169.12250	2.7
172.48395	1.9
179.05525	3.2
181.12271	12.1
199.13310	100.0
200.13664	2.3
235.08177	5.8
253.09167	5.8
277.21686	43.8
278.21912	4.2
291.19604	5.3
293.21213	16.5
309.20746	11.7
379.12354	6.1
397.13416	32.2
415.14578	11.3
857.47540	8.3
858.47241	2.7
881.41254	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	855.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98671	0.9
62.45159	0.4
67.01721	0.6
69.03329	2.9
71.01247	8.9
71.06264	0.5
71.06592	0.6
72.99139	0.5
73.02768	1.8
76.77416	0.4
79.50621	0.4
81.03305	0.6
83.01211	1.2
83.04901	1.9
83.91742	0.4
85.02820	9.9
87.00760	1.8
89.01830	0.4
89.02306	5.4
95.01243	0.9
95.04870	0.9
96.95884	5.5
96.96794	0.6
97.02824	5.9
97.06459	2.5
99.00729	0.6
101.02321	7.5
104.96976	0.3
107.04840	0.6
109.06448	0.6
111.04399	0.5
111.08051	6.2
113.02334	4.3
119.03364	1.9
119.08511	0.7
123.08009	0.6
125.09637	2.3
127.07539	0.8
127.11179	2.2
132.33809	0.5
137.09619	4.2
143.03352	0.9
145.04939	0.7
151.11165	0.7
153.09052	0.6
153.12660	0.7
155.10617	1.1
161.04463	4.0
163.11171	1.5
165.12785	3.1
167.10736	0.6
167.14265	0.5
169.12202	2.2
171.10175	32.7
172.10429	1.3
177.12695	0.9
179.05493	1.4
179.10674	0.5
179.14247	0.6
181.12193	1.6
183.13815	3.3
185.11685	1.1
193.12288	1.9
193.15753	0.4
195.13921	0.5
197.11761	29.7
198.12067	1.7
199.13316	2.0
201.11203	1.0
203.10608	0.5
207.10161	0.7
209.11795	3.4
211.13329	18.6
212.13663	0.8
221.11778	2.5
223.13269	0.8
227.12804	2.8
229.14412	8.8
230.14597	0.5
235.08182	10.0
239.12839	1.7
247.20627	2.8
253.09251	38.0
254.09511	1.3
263.20105	1.7
265.18292	0.4
273.18546	1.4
291.19647	33.1
292.20114	1.9
309.20685	96.6
310.21036	6.3
327.21741	100.0
328.22046	6.1
527.28589	0.6
545.29657	6.2
546.30463	0.8
563.30731	6.6
564.31281	0.7
619.42139	4.3
620.43005	0.7
866.48267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59629	11.5
69.45831	9.0
69.62505	33.6
69.62927	42.9
96.95885	100.0
98.95470	26.8
100.70638	9.7
188.58987	10.5
217.88699	11.2
277.21722	30.8
277.37305	10.9
281.03186	12.6
289.18143	39.0
293.21335	33.1
307.19238	31.8
336.54919	11.7
522.26727	10.3
579.35626	12.1
855.47223	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.1
69.03304	1.4
69.49802	2.8
69.50228	4.4
71.01253	7.8
73.02815	1.1
82.95277	2.0
83.01232	1.4
83.04893	1.9
85.02820	6.5
87.00715	1.1
89.02306	3.7
95.04913	1.6
96.95898	4.4
97.02828	2.9
97.06454	1.8
98.46327	0.9
101.02322	5.7
109.06437	1.0
110.08112	0.8
111.08027	8.4
113.02316	3.7
119.03329	1.3
121.06439	1.0
123.08085	0.9
125.02353	1.0
127.11160	1.1
137.09607	2.2
145.04944	2.4
161.04399	3.0
165.12755	1.7
167.10628	2.5
171.10178	19.1
172.13416	1.0
172.48996	0.8
176.90047	1.1
177.12796	2.4
179.10696	1.3
183.13800	1.9
185.34267	0.8
195.13867	7.3
197.11795	2.0
201.11136	1.7
209.11752	9.6
211.13329	7.1
221.11720	1.8
227.12881	1.4
229.14363	6.2
235.08182	8.1
239.12906	0.9
247.20708	2.5
253.09280	16.2
257.14133	1.0
273.18619	1.4
275.20251	1.7
291.19650	100.0
292.19995	6.8
293.21216	6.0
309.20776	6.5
327.21747	61.9
328.22018	5.7
516.68781	1.0
527.28271	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	855.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	16.8
71.57629	4.0
73.02821	5.9
82.04453	2.1
83.01236	3.1
85.02814	4.7
87.00761	3.9
89.02300	14.4
92.11581	2.3
96.95879	3.1
97.02862	3.1
101.02323	11.7
113.02341	6.6
113.37112	2.4
114.54042	2.2
119.03428	3.5
125.02341	7.1
125.66708	2.3
161.04446	2.7
169.12245	4.3
179.05571	3.9
197.11760	100.0
198.12077	4.9
235.08185	8.7
242.24797	2.3
277.21695	63.3
278.21973	4.8
291.19632	6.2
293.21426	2.7
305.08908	4.2
379.12341	7.7
397.13440	45.4
415.14548	8.4
434.86316	2.2
679.40283	2.5
735.99451	2.3
763.84442	2.5
783.89941	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	2.5
71.01254	7.7
71.58125	1.1
72.19396	1.2
73.02793	1.3
81.03317	1.3
83.01252	1.3
83.04892	1.8
84.02032	4.3
85.02821	3.2
85.46803	1.0
87.00737	2.2
89.02306	6.1
90.75552	1.1
94.78711	1.2
94.92355	1.6
95.04896	1.5
96.95878	6.7
97.02824	5.1
97.06455	7.1
99.04404	2.2
101.02316	7.5
111.08051	4.4
113.02312	3.8
119.03460	1.9
123.04415	1.5
125.02336	1.3
125.09615	2.3
135.08003	1.5
137.09621	2.6
143.03389	1.3
158.09601	1.1
161.04477	3.7
161.55243	1.2
163.11198	2.3
165.12654	1.7
167.10677	1.6
169.12262	2.2
171.10178	28.8
172.10419	1.3
179.05551	1.4
179.10652	1.4
181.12155	1.1
183.13896	2.0
185.11755	3.1
193.12251	8.9
195.13831	8.4
197.11765	10.6
201.11142	1.2
209.11819	5.2
211.13365	6.5
223.13391	6.1
225.11342	1.6
225.14912	13.6
227.12842	2.5
233.67464	1.2
235.08183	3.0
243.15999	4.7
245.19153	3.2
247.20857	1.8
253.09235	33.3
254.09552	2.1
262.87491	1.3
263.20038	1.6
275.20105	7.7
289.18143	8.0
291.19626	15.9
292.19949	1.6
293.21219	85.3
294.21564	5.5
307.19153	9.6
309.20691	15.1
310.21103	1.8
325.20132	1.5
327.21710	1.3
341.23300	100.0
342.23694	7.5
529.29590	1.2
577.31995	3.5
583.96478	1.3
617.44086	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	853.494
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03334	2.2
71.01247	18.2
73.02809	3.8
76.84690	1.9
80.78033	2.0
81.03307	3.1
82.95293	2.3
83.01245	5.1
83.04892	3.9
84.00872	1.8
85.02808	3.5
87.00751	2.2
89.02305	7.1
95.04903	2.3
96.95885	7.8
97.02817	5.2
97.06474	3.8
101.02316	11.1
111.08044	15.2
113.02305	5.7
116.92752	10.4
119.03371	3.1
123.04364	2.3
123.08035	2.5
125.09589	8.8
135.08035	2.2
137.09660	2.8
141.01675	1.8
151.11266	1.8
161.04396	2.0
163.11180	6.3
165.12790	4.3
167.10675	4.8
171.10172	8.0
177.12701	3.5
179.10678	4.0
181.12283	2.7
185.11746	8.7
191.14310	6.7
195.10202	10.5
195.13757	10.2
197.11775	5.3
207.10274	3.9
209.11771	14.4
213.11259	2.1
225.11115	3.3
229.46957	3.0
235.08160	2.6
245.19127	14.2
247.20688	4.5
253.09267	16.4
263.20172	2.8
271.16913	2.0
273.18549	2.8
275.20169	5.2
277.21671	15.3
289.18085	38.0
291.19659	100.0
291.92612	2.0
292.19891	6.1
293.21130	4.0
307.19086	24.9
309.20685	8.2
323.22266	2.3
397.13501	6.2
683.51355	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	853.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
64.47857	2.1
67.01732	2.4
69.03312	7.0
70.02564	10.3
71.01247	21.0
71.04868	4.1
73.02798	2.9
75.53973	2.0
78.95781	3.7
79.95625	2.9
81.03330	4.8
83.01250	9.4
83.04901	5.4
84.02020	2.4
85.02823	6.1
87.00746	4.4
89.02309	14.4
91.03910	2.0
95.04900	4.5
96.95883	87.8
97.02819	17.4
97.06471	15.5
98.19913	2.6
101.02305	20.4
102.17169	2.3
109.06416	2.2
111.08025	12.9
113.02318	9.7
116.92801	2.0
119.03436	3.2
119.08521	2.8
123.04401	5.0
123.08053	5.0
125.02315	2.2
125.09624	17.2
137.09644	10.2
141.12747	2.6
143.03395	3.6
145.04893	3.0
153.09097	3.4
161.04462	7.6
161.09532	2.9
163.11201	13.0
163.12325	2.0
165.12758	12.8
167.10712	3.3
169.12224	7.8
171.10167	21.4
179.14279	3.0
181.12257	5.9
185.11737	18.5
191.10675	3.3
191.14331	12.7
193.12245	10.9
195.13831	8.8
197.11754	75.0
198.11993	3.7
199.13362	2.8
207.10139	8.8
209.11775	38.1
211.13348	15.2
223.13344	9.1
225.11241	5.2
225.14845	11.7
227.12766	12.7
235.08208	7.0
237.11287	5.6
239.12848	2.4
243.15845	5.2
245.19032	27.2
247.20590	7.5
253.09259	66.2
263.20184	10.5
266.18295	2.5
273.18527	4.3
275.20206	9.2
277.21579	4.2
289.18060	98.7
290.18338	7.3
291.19638	86.8
292.19977	6.9
293.21201	91.9
294.21545	3.8
307.19135	74.9
308.19458	4.4
309.20676	100.0
310.20975	5.1
327.21695	2.6
341.23288	79.9
341.27454	4.7
342.23883	4.5
427.76068	2.4
617.44202	3.8
853.50781	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98694	3.3
69.03315	2.8
69.99521	3.1
71.01247	11.9
71.04882	1.4
73.02818	1.4
78.95763	0.6
81.03320	1.8
83.01246	2.7
83.04891	2.0
85.02823	9.9
87.00739	2.4
89.02309	4.2
94.92342	0.9
95.01274	1.3
95.04893	2.1
96.95889	24.0
97.02821	4.0
97.06461	6.7
99.00739	0.9
101.02324	8.2
106.04117	0.8
107.96411	0.7
109.06461	1.9
111.08061	1.6
113.02316	4.4
119.03364	2.0
119.08565	1.6
119.91678	0.7
121.10110	0.9
123.04413	1.8
123.08042	2.2
125.02322	0.9
125.05959	1.2
125.09631	5.7
127.11129	1.4
129.10161	0.8
135.08040	1.2
137.09622	6.0
141.12740	1.2
143.03397	1.2
145.04958	1.4
149.05988	0.9
149.09639	1.1
151.11185	1.2
153.09059	1.6
155.10686	1.8
157.05052	0.8
160.33264	0.7
161.04439	3.3
163.11201	5.5
165.12720	3.4
167.10684	1.1
169.04938	0.7
169.12276	1.3
171.10178	29.9
172.10497	0.9
177.12732	2.0
179.05537	0.8
181.12250	2.2
183.13792	3.2
185.11742	6.3
191.10728	1.3
191.14322	6.5
193.12215	1.3
195.13852	0.8
197.11798	8.2
199.13341	1.3
201.11246	1.6
207.10219	2.6
209.11777	21.8
210.12160	0.8
211.13329	23.1
212.13756	0.7
217.15935	0.9
221.11789	3.3
225.11325	2.3
227.12836	2.0
229.14397	12.6
230.14783	1.0
235.08180	10.1
237.11307	3.4
237.14799	0.9
239.12834	2.8
245.19052	11.1
247.20703	1.0
253.09262	30.2
255.43079	0.7
260.70706	0.7
263.20123	4.1
271.17026	1.1
279.19727	1.0
289.18091	52.6
290.18423	3.2
291.16580	1.3
291.19632	10.8
293.20926	1.0
307.19138	58.5
308.19446	4.2
309.20703	20.6
310.21042	1.6
325.20157	8.0
327.21753	100.0
328.22086	7.0
392.91898	0.8
445.20905	1.4
525.27197	1.1
543.27863	2.3
545.29730	2.0
563.30701	4.0
617.40332	1.7
835.48126	1.3
853.49225	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	851.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	28.4
61.98697	4.4
69.03310	5.8
71.01250	23.1
71.04909	4.4
71.15230	6.4
73.02820	5.8
81.29587	3.4
83.01241	6.6
83.04897	7.2
85.02812	7.8
87.00709	7.2
88.19526	3.8
89.02327	11.9
92.42354	3.2
95.04877	7.0
96.95869	10.5
97.02826	18.6
97.06454	9.2
99.04404	8.8
101.02315	15.0
109.06468	5.1
111.04451	4.1
111.08051	6.1
113.02327	12.0
114.03052	4.3
119.08475	3.8
123.08051	5.7
125.02361	4.3
125.06016	4.3
125.09606	20.5
135.08096	9.8
137.09563	8.0
139.07585	4.0
153.09088	14.1
155.10655	26.4
161.04489	5.3
163.11153	8.1
165.12752	11.5
167.10666	4.0
171.10182	22.7
177.12770	4.9
178.64830	3.3
181.12233	6.1
183.10208	17.4
185.11728	9.8
189.12852	3.8
193.12338	5.7
195.13867	11.0
197.11725	8.9
199.09692	15.3
201.11296	11.5
207.10225	7.9
209.11749	14.4
211.13329	6.5
213.11250	33.2
223.13287	7.5
225.11308	7.4
227.12776	7.2
235.08244	11.4
243.17598	5.3
245.11427	3.8
247.20624	6.8
253.09230	39.2
253.14540	4.2
263.12888	4.9
273.18509	4.0
279.19684	5.6
287.16492	14.8
289.18079	21.9
291.19662	91.2
292.20010	3.9
293.21179	46.5
294.21249	5.9
303.16129	8.4
305.17554	34.5
307.19156	11.2
309.20676	100.0
310.21072	4.8
323.18701	40.3
323.22122	6.6
419.19119	10.3
523.24957	4.1
559.27887	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	851.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01226	1.3
59.60139	0.3
63.02248	0.4
65.00199	0.4
69.03294	1.2
70.06666	0.7
70.07085	1.2
71.01233	1.2
75.00762	0.4
78.03335	0.5
80.04910	0.5
85.02804	0.9
87.00716	0.9
92.04904	1.5
93.03315	1.1
94.06490	3.4
95.04908	0.4
96.95901	1.5
99.00734	0.6
104.04932	2.3
105.03355	1.9
106.06502	10.9
107.01257	0.5
107.06817	0.4
108.02062	0.5
108.04411	1.3
109.02815	0.5
110.06044	0.3
111.04346	0.5
113.02315	0.4
115.00276	0.4
117.03333	0.9
119.04903	0.5
120.04428	5.0
121.05223	0.8
122.02374	0.4
122.06009	13.7
123.00749	0.4
123.03114	2.0
123.06266	0.5
124.07558	0.9
125.02336	0.3
131.03606	0.6
132.03474	0.4
132.04446	6.9
134.03610	0.6
136.03957	0.6
137.02315	0.6
138.05502	20.3
139.05890	0.4
141.04027	0.7
145.02911	0.3
146.03658	0.4
148.03908	1.1
149.02330	0.7
150.02924	0.4
150.05501	2.9
151.00269	0.7
151.03871	0.7
152.01073	0.5
152.06992	0.4
153.01828	0.6
159.04489	0.5
159.06795	0.4
160.01607	0.4
160.21541	0.3
161.02298	0.5
164.03450	0.4
165.01794	0.4
166.04964	1.0
168.06509	0.3
173.04471	0.8
174.12711	0.7
175.03868	0.4
184.11169	0.7
185.00838	0.7
189.07863	1.1
191.05542	3.7
193.04892	0.5
200.05876	0.5
200.09454	0.4
202.08711	0.5
202.12321	0.6
203.09383	0.4
213.06592	0.4
214.07199	0.4
215.11902	1.5
217.07358	2.0
229.09753	0.8
231.08966	1.2
231.11336	0.8
241.09785	2.7
243.11241	2.2
259.10892	0.8
268.03650	1.5
269.04541	36.6
270.04871	2.3
271.10925	1.3
274.02991	0.3
284.12375	0.4
285.04013	1.6
289.11929	100.0
290.12247	6.2
311.05594	1.2
327.08762	0.4
333.10919	73.0
334.11246	5.2
357.09641	0.4
431.09628	0.5
473.10748	1.7
553.21881	0.4
851.26282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	16.8
61.22018	1.7
71.01249	15.7
71.49442	2.4
73.02819	2.4
75.88513	1.8
83.01243	2.2
85.02824	4.5
89.02309	13.0
97.06462	4.7
101.02330	12.1
104.95045	2.2
113.02323	3.8
119.03359	3.8
125.02343	2.2
138.23120	2.3
140.45001	1.7
151.11160	11.5
169.12250	44.0
170.12575	2.4
195.10173	1.7
198.05193	2.0
213.11218	5.6
216.95363	1.9
221.06589	3.3
255.23259	54.9
256.23596	5.7
289.18063	3.4
299.02414	2.4
397.13602	3.3
849.48517	100.0
850.48840	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	847.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	18.5
61.98693	2.4
68.99683	1.4
69.03315	2.8
71.01252	30.0
71.53137	1.4
72.15030	0.7
72.99184	8.0
73.02827	3.4
75.00744	18.5
76.40096	0.8
81.03303	0.8
83.01246	2.8
83.04860	1.1
85.02823	25.5
87.00746	10.5
88.98680	0.9
89.02311	8.0
93.03323	2.4
95.01267	6.7
96.95888	3.3
97.02805	0.8
97.06431	0.8
99.00752	12.5
99.01810	0.7
101.02329	5.2
103.00224	1.7
108.02003	1.0
109.02816	1.9
109.06473	0.9
111.00743	1.5
111.04369	0.6
111.08048	5.7
113.02329	28.9
114.02604	0.8
115.00253	3.2
116.92726	1.1
117.01803	2.6
119.03387	1.0
119.04865	0.7
121.02820	0.7
124.01572	0.7
125.02325	1.5
129.01794	1.9
131.03423	1.4
134.03604	1.7
135.04382	1.2
137.02332	2.7
137.09593	0.7
139.00279	1.0
141.04074	1.6
143.03386	0.9
149.02325	3.0
150.03122	0.9
151.00240	1.0
151.03853	0.7
153.01788	1.7
155.03415	0.7
157.01279	1.0
160.01595	1.7
161.04482	1.0
163.03883	0.8
163.11217	1.2
164.04695	1.3
165.05426	1.9
165.12756	30.5
166.13080	1.2
171.10229	1.1
175.00217	0.9
175.02362	5.9
175.03915	2.1
177.01898	1.0
178.83405	0.7
181.12259	1.4
183.13826	45.6
184.14154	2.4
190.02606	1.5
191.03157	0.7
191.05553	0.9
193.05005	2.0
193.60887	0.7
195.14047	0.7
202.39926	0.7
205.05013	1.5
207.04938	0.9
207.10121	0.9
209.11766	6.8
211.13405	1.6
223.05989	2.9
225.14934	1.7
227.12874	9.0
230.60666	0.7
249.06163	9.5
267.07208	21.9
269.04526	1.1
270.05173	0.8
284.03247	0.9
285.04031	2.7
285.07578	1.0
387.20374	1.1
395.94125	0.8
415.19614	7.8
459.18747	1.8
463.08374	0.7
829.37836	0.8
847.39612	100.0
848.40076	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	847.3976
Annotation	Kapakahine B
Peak:m/z	Relative Intensity
59.01252	20.0
61.98694	1.9
67.01754	1.1
68.99692	1.5
69.03328	2.5
71.01256	34.2
72.99186	7.3
73.02811	2.7
74.18900	0.5
75.00746	19.8
78.95812	0.7
79.57934	0.5
81.03317	1.1
83.01251	3.0
83.04890	1.4
84.02024	0.7
85.02827	28.4
85.11577	0.6
86.03154	0.8
87.00755	12.1
89.02334	7.6
93.03302	2.7
95.01269	7.3
95.04891	0.6
96.95889	4.0
97.02834	1.4
97.06452	0.9
99.00763	13.6
99.95141	0.6
101.02322	6.6
103.00249	2.3
108.02043	1.7
109.02849	2.5
109.06460	1.3
111.00757	1.7
111.04355	0.7
111.08045	5.6
112.98706	0.7
113.02334	29.2
115.00251	5.7
117.01801	2.7
119.03398	1.5
119.04915	1.4
121.02863	1.2
123.00769	0.7
123.04368	0.6
125.02318	2.2
129.01828	2.4
131.03383	1.0
133.02936	0.7
134.03610	2.6
135.00742	0.9
135.02957	0.9
135.04436	1.2
137.02336	4.0
137.09593	1.1
139.00287	1.2
141.04071	1.6
145.02884	0.7
149.02322	2.2
149.04399	0.7
150.03096	2.1
151.00249	1.0
151.03874	0.9
152.01047	1.2
153.01855	2.8
153.09074	0.7
155.03386	0.7
157.01280	1.1
160.01549	2.4
161.02252	0.9
161.04482	1.3
163.03885	1.3
163.11218	0.9
164.04672	2.0
165.01852	0.8
165.05420	1.1
165.12772	32.5
166.02699	0.7
166.13170	1.2
167.03307	0.8
168.00578	0.7
171.10127	0.8
175.00157	1.0
175.00854	0.8
175.02414	8.8
175.03928	1.8
177.01672	0.7
181.04997	0.8
181.12282	1.7
183.13837	45.6
184.14130	2.5
190.02661	2.3
191.05635	1.0
193.04988	2.1
195.06570	0.8
195.60175	0.6
197.11754	1.0
197.15308	0.9
197.79622	0.6
205.05060	1.1
205.06960	0.9
206.05344	0.8
207.10173	1.2
207.13792	1.0
209.11752	6.5
210.12215	0.6
211.13353	1.7
223.05998	2.9
225.11311	1.6
225.14873	2.1
227.12862	7.8
230.18915	0.7
231.05014	1.4
249.06142	9.4
267.07205	19.5
269.04330	0.9
284.03311	2.3
285.04065	4.9
285.07321	1.1
286.04236	0.6
293.04471	1.2
299.05594	1.1
301.03714	0.7
303.09311	0.9
331.06436	0.9
387.20258	1.1
415.19797	8.8
416.20062	0.9
455.19138	1.0
459.18768	2.1
463.08789	0.8
496.93362	0.6
553.02197	0.5
597.32574	0.8
729.33563	0.8
847.39679	100.0
848.40045	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	847.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.4
68.02412	0.5
69.44032	2.5
71.01232	1.5
72.00763	0.5
73.02818	0.6
73.93161	0.3
81.00815	1.0
83.01260	0.3
85.02828	0.9
87.00745	0.4
89.02307	0.3
92.18404	0.2
93.03325	0.4
96.95901	0.8
97.00309	1.9
98.01092	1.2
98.03459	0.4
98.19840	0.6
99.00849	0.5
99.01877	13.2
100.02167	0.3
101.02321	1.0
109.02803	0.4
110.03493	0.8
111.01888	2.7
113.02340	0.8
119.04893	0.6
121.02846	1.5
123.04408	0.3
124.01439	0.7
125.02320	0.7
126.02974	0.7
134.03613	0.7
135.04399	0.5
137.02354	0.5
137.11427	0.3
139.01492	0.4
139.02490	1.9
140.02231	0.7
140.03287	10.7
141.04076	100.0
142.04482	1.4
147.04408	0.3
149.02345	9.1
150.02985	0.5
151.00273	0.4
151.03941	0.4
152.01035	0.4
152.04591	0.6
153.01857	0.7
153.02965	0.4
153.04118	0.6
154.46338	0.3
160.01605	0.5
161.02290	0.4
161.04376	0.4
163.03844	0.7
164.03394	0.5
164.04677	6.7
165.01781	0.7
165.04070	0.6
165.05394	0.4
166.02443	0.4
167.02029	0.7
171.10316	0.3
175.00269	2.7
175.02515	0.4
175.03912	0.5
176.00827	0.2
178.02644	0.3
179.07050	0.8
181.04924	0.3
181.58363	0.3
183.05211	0.3
183.18979	0.3
190.02626	7.7
190.04329	0.5
191.03275	0.7
192.04002	0.3
193.04970	0.7
203.06935	0.3
205.05000	6.4
206.05461	0.3
208.02214	3.1
208.03703	0.4
209.03085	1.9
223.06065	8.0
224.06325	0.5
260.08716	0.4
284.03061	0.4
285.04156	1.0
285.08264	0.5
303.09448	47.0
304.09814	2.2
327.09399	0.3
329.07068	0.7
337.09338	0.3
356.24301	0.3
371.08420	23.3
372.08716	1.6
393.15674	0.3
461.14554	0.3
475.16031	6.4
476.16397	0.6
509.15219	2.5
540.24341	0.4
543.15009	3.0
544.15027	0.4
577.14508	0.9
641.19238	1.7
718.52887	0.3
847.26056	1.0
847.42352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.8
60.99176	2.1
61.98703	12.8
71.01252	6.8
71.15763	4.1
74.87808	1.7
75.00741	4.2
78.95782	1.8
83.04900	4.1
85.16684	1.5
87.00745	3.9
88.98669	11.1
89.02332	4.9
96.95872	2.3
97.02829	2.4
101.02312	4.4
116.92754	2.2
123.04457	1.9
135.04419	2.1
161.04341	1.8
163.11186	4.3
165.12685	1.7
171.10153	6.4
181.12294	1.9
185.11775	3.3
191.14441	2.2
207.10242	4.1
209.11761	100.0
210.12090	5.2
211.13330	5.0
223.13243	1.8
225.11110	1.8
227.12877	10.9
245.19044	4.1
253.09267	9.3
289.18094	25.7
300.99139	1.7
307.19165	18.4
308.19608	2.4
309.20691	1.8
398.79218	1.8
575.80365	1.9
637.32599	2.9
785.39471	3.8
791.44794	2.0
825.53510	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	845.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	16.3
61.98705	11.5
69.03318	1.4
71.01257	14.4
71.58670	0.9
72.99187	1.0
73.02818	2.6
75.00742	3.8
78.95795	0.7
81.03364	0.7
83.01260	1.4
83.04884	1.1
85.02833	2.7
87.00752	3.8
89.02318	10.9
95.01270	1.5
95.04904	1.4
97.02848	1.5
97.06472	17.8
99.00820	0.8
101.02326	10.6
113.02342	4.6
119.03396	1.8
123.08059	9.3
125.02336	2.7
125.09618	100.0
126.09951	3.6
131.03404	0.8
143.03445	0.8
143.10706	1.8
152.99515	0.6
161.04468	1.6
169.08614	2.4
171.10176	1.0
179.05571	1.6
187.09686	70.1
188.10077	2.5
207.10196	0.7
209.11797	0.9
211.09749	1.3
221.06636	4.4
235.08038	0.7
277.21725	12.6
278.22162	1.2
352.68686	0.6
397.13660	2.1
405.17569	1.5
478.94818	0.6
567.23022	2.4
579.01660	0.7
585.24127	5.7
665.38684	0.9
845.45380	94.6
846.45709	18.9
871.80316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	21.8
61.98696	3.5
69.03307	1.7
71.01256	17.7
71.16367	3.0
72.99187	1.2
73.02818	3.6
80.02532	1.1
83.01253	2.7
85.02815	3.5
87.00751	5.2
89.02321	12.7
91.73385	1.2
94.39252	1.3
95.04906	2.7
96.95862	1.8
97.02824	2.9
97.06483	14.7
101.02314	9.5
111.08053	1.4
113.02317	4.9
113.62885	1.3
116.92715	1.1
119.03391	2.2
123.08055	8.5
125.02335	2.7
125.09615	80.0
126.09932	1.6
143.03412	1.4
161.04410	1.4
169.08638	1.7
171.10229	2.9
187.09685	39.1
187.11359	2.0
209.11797	2.7
221.06586	1.3
253.09180	1.9
277.21729	29.6
278.22000	1.8
309.20721	1.1
317.19659	1.1
397.13629	5.4
447.60275	1.2
500.18298	1.6
567.23053	2.0
585.24115	2.6
665.38477	1.2
713.84528	1.5
770.43060	1.2
845.45428	100.0
846.45770	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	845.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68320	0.7
59.01249	23.5
60.99165	1.5
61.98701	1.3
64.63122	0.7
66.16727	0.8
69.03329	1.9
71.01250	22.3
71.01844	1.6
72.99177	2.9
73.02822	2.3
73.25703	0.8
75.00750	2.2
81.03339	1.0
83.01266	2.6
83.04898	1.9
85.02812	6.3
86.75471	0.9
87.00739	6.4
88.98676	7.0
89.02310	17.7
95.01266	1.8
97.02843	3.9
97.06431	1.1
97.81864	0.9
99.00760	1.2
99.60659	0.8
101.02320	12.5
109.06442	1.2
111.08038	1.2
113.02325	6.8
119.03379	2.4
125.02319	5.3
130.76030	0.9
131.03391	1.6
137.09590	1.7
141.01727	1.1
143.03398	1.3
161.04462	2.2
171.10188	7.3
178.06360	0.8
179.05496	4.2
203.14262	1.1
209.11777	3.0
209.90730	0.9
211.13376	3.1
213.14920	1.0
221.06602	2.9
231.17606	0.9
235.08217	2.0
239.16475	1.0
241.18024	1.2
247.13318	1.2
253.09290	1.1
275.16592	1.4
275.19882	1.1
289.18289	1.0
293.21204	8.7
313.25436	0.9
315.26895	2.3
325.25378	6.4
326.25903	1.2
333.28140	1.0
341.24686	1.9
343.26282	5.0
351.23224	1.1
359.25864	4.9
361.27469	1.8
364.15808	0.8
369.24310	7.7
377.26804	1.0
379.11945	0.9
387.25369	11.9
388.25571	2.1
397.13449	8.5
405.26443	26.2
406.26868	2.3
415.14536	1.1
598.92529	0.9
757.40442	1.3
785.39587	100.0
786.39935	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	27.3
61.98691	2.0
67.01761	1.4
68.99667	2.9
69.03314	5.2
70.76731	2.0
70.77074	1.3
71.01248	41.1
72.99179	9.4
73.02798	4.2
75.00739	23.8
81.03314	2.3
83.01237	4.1
83.04881	2.0
84.32906	1.0
85.02820	34.7
87.00745	12.4
88.98681	2.0
89.02307	9.5
93.03342	4.4
95.01257	9.9
96.95877	5.1
97.02819	3.1
99.00755	12.2
99.15598	0.9
101.02330	4.9
103.00246	2.9
108.02020	4.6
109.02835	6.2
109.06443	1.1
111.00756	1.7
111.08039	6.1
113.02323	34.7
114.02637	1.0
115.00215	2.3
115.47900	0.9
117.01826	2.4
119.03312	1.4
119.04893	1.8
121.02810	3.9
122.03574	1.4
123.00754	3.7
123.04417	1.1
124.01555	9.1
125.01437	1.8
125.02329	32.4
126.02660	2.1
128.20015	0.9
129.01826	2.5
132.01979	1.2
134.03613	8.0
135.00739	2.3
135.04387	2.1
137.02344	5.7
139.00204	1.4
139.03842	1.6
141.01778	1.2
141.04108	1.6
145.02818	1.9
149.02356	4.5
149.05911	1.3
149.99492	16.0
150.03090	2.2
151.00204	3.4
151.03888	2.1
151.07524	1.6
152.01044	5.1
153.01842	4.8
153.09039	3.5
156.21597	0.9
160.01506	3.4
160.03954	1.0
161.02271	3.1
163.03886	1.5
163.11082	1.3
164.04648	3.5
165.01682	1.0
165.05399	2.1
165.12749	38.4
166.13091	2.5
167.03378	2.7
168.00551	33.4
169.01263	3.5
174.01552	1.1
175.02295	3.2
175.03882	2.7
177.01932	2.0
179.03365	0.9
183.13812	51.6
184.14130	2.2
190.02641	2.5
191.03249	1.5
191.05447	1.2
192.00511	1.1
193.04982	4.6
195.06519	1.5
205.05011	3.3
205.12196	4.6
209.11707	3.8
210.56157	0.9
223.06059	2.0
227.12849	8.3
249.06131	8.9
254.83105	1.0
255.06154	1.2
267.07205	24.8
269.04489	2.1
284.03351	1.1
285.04016	5.1
303.09219	1.2
313.05542	4.1
315.07129	4.6
331.06671	56.7
332.06985	4.5
339.07233	1.6
399.05695	15.8
399.16608	1.3
400.06082	1.1
415.19745	8.9
459.18509	3.5
621.60529	1.1
827.37006	1.4
845.37976	100.0
846.22992	1.8
846.38293	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	845.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	15.3
61.98703	2.9
64.20287	1.2
69.03325	4.5
69.98454	4.8
71.01247	17.1
72.99183	2.1
73.02804	2.8
75.00732	4.6
78.95764	1.1
81.03314	2.2
83.01238	4.5
85.02818	10.0
87.00760	3.7
88.98696	1.3
89.02290	5.8
91.01179	0.9
91.01746	2.8
93.03333	4.1
95.01254	4.3
96.95891	5.7
97.02829	4.8
98.19843	1.4
99.00775	5.2
101.02326	6.0
102.02675	1.2
103.00235	1.5
108.02051	4.1
109.02818	4.6
111.00742	2.2
111.08015	1.2
113.02329	8.3
115.00254	2.2
116.92678	1.1
117.03326	1.5
119.04877	1.7
121.02847	2.3
123.00726	7.0
123.04380	1.7
124.01551	15.5
125.02334	53.7
126.02622	1.1
127.00216	1.2
129.01834	1.5
133.02849	1.8
134.03613	9.8
135.00781	3.7
135.04434	2.4
137.02327	7.6
139.00294	0.9
139.03859	1.8
139.90434	1.0
141.01817	1.3
141.04045	1.3
145.02794	2.3
149.02399	7.7
149.05969	2.3
149.99480	28.5
150.03091	2.4
151.00256	5.3
151.03906	2.0
152.01038	4.0
153.01839	8.8
153.09172	1.1
160.01613	6.8
161.02310	3.2
161.04456	2.6
163.03990	2.3
164.04750	6.2
164.93439	1.1
165.01785	1.5
165.05411	2.0
165.12822	5.2
167.03369	3.7
168.00563	55.1
169.01315	6.7
169.81656	1.0
175.00296	1.6
175.02396	2.5
175.03915	6.2
177.01810	1.8
179.07115	1.8
181.04947	1.4
183.13843	10.5
190.02611	4.7
191.03273	1.4
193.04987	6.0
201.11316	1.1
205.04984	7.4
223.06033	4.9
227.12935	2.0
243.06616	3.0
249.06030	1.6
253.05856	1.1
267.07132	2.9
285.04117	4.9
285.06998	1.2
313.05695	9.5
331.06668	100.0
332.06958	4.2
339.07239	1.8
369.40753	1.0
399.05624	24.6
400.05954	1.4
407.05649	1.3
438.92346	1.1
445.14984	1.4
475.16098	3.5
507.11697	1.4
599.82452	1.4
845.21497	9.0
845.38495	21.9
846.22089	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	841.487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.60804	7.7
69.31944	7.1
71.01009	10.5
71.01349	15.8
84.66904	6.4
103.51351	7.3
107.83868	9.1
116.92749	32.3
121.65701	7.5
136.35559	6.6
219.06963	7.8
253.09215	20.5
293.21228	100.0
330.17560	7.9
416.44772	10.4
441.37439	7.6
841.48560	24.3
843.46649	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	3.5
61.98684	0.4
65.03825	0.8
69.03328	0.3
69.42759	0.2
71.01241	2.6
72.99201	0.3
73.02821	0.9
75.00720	0.3
83.01250	0.8
85.02824	1.6
87.00725	0.3
89.02309	0.6
93.03328	57.5
94.03640	1.3
95.01285	0.3
96.95876	1.7
97.02809	0.4
99.00742	0.6
101.02319	1.5
103.00244	0.5
105.01792	0.3
108.02036	0.4
109.02837	0.4
109.97191	0.2
110.55283	0.2
113.02309	1.3
116.92743	0.4
117.03380	0.3
119.04960	0.4
121.02853	0.6
123.04402	0.3
125.02319	0.6
132.75992	0.2
134.03625	2.1
135.00781	0.3
135.04433	0.7
137.02332	100.0
138.02669	3.1
147.04390	0.3
149.02310	2.7
149.05974	0.2
150.03116	0.2
151.00250	0.4
152.01054	0.3
153.01822	0.9
160.01543	1.2
161.02324	0.7
161.04420	0.5
163.03883	0.5
164.04651	2.1
165.01894	0.4
165.05420	0.3
165.12712	0.3
175.00296	0.8
175.02499	0.3
175.03928	0.9
177.01799	0.2
179.03377	0.2
179.07088	0.3
183.13835	0.5
190.02682	2.1
191.03163	0.2
193.05014	1.6
195.06506	0.3
205.05046	2.1
209.11882	0.5
216.43633	0.2
223.06042	3.5
227.12866	0.4
240.54991	0.2
249.11107	0.2
285.04037	0.8
299.07687	4.0
299.10748	0.3
315.06952	0.2
323.07886	0.3
367.06573	1.2
380.87210	0.3
475.16245	1.8
543.15216	1.1
637.17670	0.5
650.58179	0.2
773.99023	0.3
812.32147	0.3
843.44849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.3
61.98693	0.4
69.03320	1.0
71.01250	6.0
71.20982	0.9
72.99177	0.7
73.02810	1.0
82.95306	0.5
83.01263	0.6
85.02821	5.5
87.00739	1.2
89.02318	4.1
95.01266	0.6
95.04900	0.9
96.95891	2.2
97.02833	1.0
97.06446	2.5
101.02326	5.7
109.06477	0.5
111.08070	0.6
113.02314	2.2
117.14412	0.4
119.03345	1.3
123.08018	0.4
125.09634	0.8
127.11198	0.8
137.09599	1.5
141.01605	0.7
145.04893	0.4
155.10632	0.9
155.14365	0.7
161.04460	3.3
165.12773	1.1
167.10612	0.5
167.14275	0.5
171.10170	13.8
171.11639	0.8
172.10429	0.5
177.12796	0.9
179.05479	0.9
179.14314	1.2
181.12204	0.7
183.13831	3.0
185.11737	0.9
193.12215	0.8
195.13832	7.9
196.14198	0.5
197.11679	0.5
201.11288	0.8
205.12251	0.5
205.15884	0.4
207.10307	0.5
209.11674	2.0
211.13330	16.1
212.13553	0.7
221.11755	2.7
222.12106	0.4
223.13322	5.4
224.13795	0.4
227.12698	0.5
228.13658	0.6
229.14400	10.5
230.14763	0.7
231.21124	0.6
235.08174	7.3
239.12831	2.3
245.00491	0.4
247.20602	0.6
253.09248	33.0
254.09642	1.2
256.13135	1.1
275.20096	5.6
276.20505	0.4
291.19666	4.8
293.21204	100.0
294.21555	6.2
309.20660	7.6
327.21732	78.6
328.22067	6.1
337.10498	0.4
376.23911	0.4
398.77676	0.4
492.22186	0.8
529.29950	1.6
545.29871	1.5
563.30750	5.2
564.31195	0.7
603.42603	3.2
604.43042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	30.4
61.98693	11.4
66.15599	3.7
71.01254	25.4
71.59082	6.2
72.99156	5.3
83.04889	6.2
85.02810	8.8
87.00785	7.9
89.02288	10.6
93.03308	6.4
93.47916	4.2
96.95884	27.3
97.02820	5.1
101.02309	9.7
113.02319	11.6
116.92725	9.6
119.03372	5.2
119.04914	5.9
121.02849	6.9
125.02364	7.5
134.03616	9.8
137.02345	7.7
141.03926	4.9
146.58051	4.0
149.02313	15.3
149.05952	4.8
150.02997	7.5
151.03835	5.1
160.01604	8.1
161.04482	4.0
163.03850	4.6
164.04710	7.9
165.05444	5.1
171.10164	17.7
174.99118	4.8
175.03868	13.6
190.02667	11.7
193.05014	8.5
195.06615	6.7
201.11281	5.8
205.05026	7.8
205.12384	5.1
209.11771	100.0
211.13326	14.6
223.06096	10.4
225.11302	6.2
227.12833	20.6
233.11568	6.4
235.08151	17.7
253.09256	21.1
267.07184	5.3
309.20670	7.0
327.21762	56.6
341.23138	6.0
342.88867	4.5
387.72986	5.0
445.20816	13.7
545.29419	9.4
563.30518	7.8
757.33362	4.7
806.62012	5.3
841.44189	30.2
842.44037	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	839.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.0
61.32584	0.6
61.98685	1.0
67.23478	0.5
69.03301	0.7
71.01249	7.6
72.99159	0.6
73.02798	1.9
75.00752	1.5
83.01251	1.1
83.04858	0.7
85.02827	4.1
87.00760	1.5
89.02289	3.0
93.03331	1.5
95.01254	1.4
96.95887	7.6
97.00307	1.1
97.02843	0.6
98.01099	0.7
98.20628	1.3
98.21341	0.6
98.95453	0.7
99.00802	1.2
99.01873	12.5
101.02297	4.3
107.04883	0.6
108.02020	1.2
109.02832	1.3
110.03492	0.8
111.00731	0.9
111.01893	2.6
111.28184	0.5
113.02328	4.2
116.92741	0.9
117.03383	0.7
119.03381	0.6
119.04967	0.7
120.34517	0.6
121.02838	1.5
123.04366	0.8
124.01466	0.9
125.02317	2.1
133.04976	0.8
134.03615	2.7
135.00752	0.9
135.04317	1.1
137.02313	2.5
139.02502	2.1
140.03296	10.3
141.04071	100.0
142.04427	2.0
145.02892	1.0
147.04379	0.7
149.02324	10.0
149.05959	0.6
150.03073	1.8
151.00240	0.8
151.03810	0.7
152.01076	2.6
153.01834	3.0
155.03444	0.9
160.01543	2.5
161.02356	0.7
161.04457	1.5
163.03929	0.7
164.03383	1.2
164.04668	6.7
165.01781	1.0
165.04126	0.7
165.05447	1.6
167.02031	0.9
170.86507	0.6
171.10144	0.7
173.04459	0.9
175.00267	2.6
175.03896	2.5
177.01854	1.0
177.05408	0.6
179.03415	1.1
179.07043	1.3
180.04163	0.7
181.04913	0.7
183.97273	0.6
185.11705	0.8
189.01913	0.7
190.02669	7.9
191.03181	1.1
193.01469	0.6
193.04924	3.5
194.05351	0.8
195.06528	1.1
205.05008	8.4
208.02191	2.7
209.02971	1.3
209.08191	0.6
209.11732	2.8
210.12097	1.1
223.06035	10.0
224.06665	0.7
267.07217	1.3
269.04572	1.3
285.04095	1.7
299.05594	0.8
303.09436	55.1
304.10013	3.1
315.07339	0.6
371.08371	25.7
372.08475	1.9
397.13434	1.2
467.19254	7.9
468.19174	0.9
487.33167	0.7
505.33725	0.6
509.15356	2.5
521.16760	0.6
535.18188	3.3
577.14142	0.9
631.37152	1.1
633.22473	2.5
649.37878	3.5
691.39160	1.7
709.40253	2.0
839.28638	1.7
840.28058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.2
59.63997	0.3
65.03053	0.2
69.03324	1.1
70.54419	1.0
71.01253	6.2
72.99156	0.7
73.02824	1.6
83.01257	0.9
83.04901	0.9
84.02045	2.6
85.02809	1.7
87.00755	1.1
89.02322	3.5
91.03842	0.3
95.01252	0.5
95.04907	0.4
96.95863	0.8
97.02808	1.3
97.06465	6.7
99.00731	0.4
99.04383	1.1
101.02323	5.1
103.03884	0.4
111.08044	0.4
113.02320	3.4
115.03915	0.3
119.03374	1.5
125.09614	1.0
127.11158	0.4
133.04987	0.3
137.09564	0.8
143.03468	0.5
145.04958	0.9
149.13245	0.3
161.04474	2.5
163.11073	0.3
165.12778	0.3
171.10173	10.4
175.11212	0.6
179.05536	0.7
183.13838	0.4
185.11632	0.6
193.12263	9.1
204.29175	0.3
209.11755	1.0
211.13350	1.7
221.11763	0.8
225.14897	12.0
226.15158	0.5
233.22682	0.5
235.08189	11.4
239.63612	0.3
243.15990	5.9
253.09250	17.6
253.14497	1.0
254.09642	0.5
259.20438	0.4
275.20261	0.4
277.21695	100.0
278.22058	7.8
291.19620	1.4
305.21155	0.7
323.22293	2.3
341.23285	84.7
342.19864	0.5
342.23636	5.3
559.31097	0.4
577.32184	1.5
601.44806	3.3
602.45007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	7.1
69.03323	1.3
69.27366	0.6
71.01238	6.5
71.57957	1.0
81.80447	0.8
83.01250	1.0
83.04919	1.1
84.02019	1.7
85.02807	1.4
87.00724	0.8
89.02331	4.4
96.95907	1.0
97.02825	1.0
97.06470	8.8
101.02308	3.4
113.02309	2.9
119.03372	1.2
125.09576	1.7
133.04965	1.1
137.09651	0.9
151.07562	1.0
151.11189	1.0
161.04437	2.6
167.00844	0.7
171.10161	8.2
175.11217	0.8
179.05453	0.9
193.12245	13.0
197.11803	0.8
211.13264	3.5
221.11794	1.1
225.14899	18.9
235.08180	4.2
243.15985	9.5
251.47404	0.7
253.09244	20.1
254.09543	1.2
277.21695	90.0
278.22049	7.1
281.33066	0.8
291.19595	2.6
305.21100	1.5
312.34091	0.7
323.22348	3.6
341.23285	100.0
342.23657	6.9
577.32178	2.4
601.44312	6.3
602.46014	1.1
766.93866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00980	0.8
59.01246	8.0
60.54588	0.5
61.98674	0.5
69.03304	1.6
71.01256	6.7
71.46551	0.5
72.99173	0.8
73.02811	1.3
78.95770	1.2
79.95589	0.6
83.04903	0.9
85.02818	1.4
87.00759	1.6
89.02309	4.0
93.03362	0.6
95.04889	1.9
96.95886	25.0
97.02827	0.6
97.06456	0.7
98.19765	1.5
101.02313	4.8
109.06493	1.4
111.08035	14.3
112.08389	0.5
112.98450	1.3
113.02319	3.5
115.41271	0.6
115.89234	0.5
119.03374	1.3
123.08028	1.0
125.09587	0.7
127.07564	0.5
137.09618	1.4
138.86653	0.5
139.11148	0.5
141.09088	0.8
143.03418	0.6
145.04893	0.9
149.09528	0.7
151.11182	1.3
153.12732	1.1
161.04465	2.6
163.11195	0.8
165.12752	1.3
167.10672	1.5
169.12248	3.2
171.10199	2.6
177.12735	1.9
179.05466	0.8
179.10689	2.1
181.12253	1.3
183.13806	0.7
185.11740	0.9
191.10730	0.6
195.13782	6.2
196.69275	0.5
197.11755	34.5
198.12099	1.7
199.13333	1.7
201.11227	3.6
207.13670	0.6
209.11797	3.5
211.13371	4.3
215.47737	0.5
218.20900	0.5
223.13268	0.8
227.12735	1.7
235.08055	3.7
237.11060	0.5
245.19087	0.8
247.20679	2.2
253.09236	13.9
254.09662	1.0
255.23193	0.6
263.20123	2.6
265.18076	0.7
273.18631	1.9
275.20087	2.6
277.21686	5.4
287.16635	0.6
289.18051	1.4
291.19641	100.0
292.19998	8.6
293.21228	6.4
307.19147	2.3
308.19608	1.2
309.20676	31.2
310.20947	3.8
323.18716	0.6
341.19507	1.1
354.90848	0.6
397.13251	1.1
527.28229	0.8
728.98358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	13.7
69.03338	2.3
70.22216	2.4
70.22612	1.7
71.01257	10.7
73.02818	3.0
76.43814	0.9
78.95764	3.3
79.95568	2.4
83.01289	1.0
83.04898	1.3
85.02823	3.0
87.00743	1.4
89.02305	9.3
95.04896	1.1
96.95885	53.6
97.02821	4.0
97.06470	2.4
101.02322	9.1
109.06481	1.6
111.08035	11.2
113.02319	4.5
119.03370	2.9
125.09571	2.4
127.07541	1.4
127.11176	1.4
137.09612	1.7
145.04980	1.3
161.04434	3.8
163.11197	1.5
165.12770	2.7
167.10677	2.4
169.04889	1.0
169.12199	2.6
171.10208	5.0
171.47557	1.0
174.70419	0.9
177.12798	1.7
179.05545	1.4
179.10658	1.7
179.14241	1.2
181.12289	1.3
183.13832	1.1
185.11725	1.8
191.14476	1.2
193.12286	1.1
195.13855	10.0
196.14169	1.1
197.11771	21.7
198.12160	2.9
201.11256	40.0
202.11682	1.7
207.10292	1.0
209.11754	5.9
211.13329	4.5
212.13649	1.4
214.42764	0.9
217.16039	1.0
221.15369	1.5
223.13374	2.9
227.12762	3.1
235.08093	4.2
245.19124	2.7
247.20671	2.3
253.09271	18.7
255.23251	10.4
263.20044	2.5
264.20477	1.3
273.18460	2.6
275.20117	3.0
277.21777	4.9
289.18079	11.0
291.19650	100.0
292.19968	5.8
293.21240	14.1
307.19125	9.1
308.19489	1.7
309.20691	52.0
310.21027	6.0
311.21536	1.7
397.13571	10.1
415.14380	2.1
545.29773	1.0
831.82019	1.3
837.47180	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	8.7
69.03320	1.4
71.01257	7.2
72.99177	0.6
73.02834	1.1
75.62114	0.5
79.95633	0.7
80.04193	0.6
81.03342	1.2
82.83656	0.5
83.01254	1.0
83.04896	1.8
85.02831	2.3
87.00747	0.8
89.02309	3.9
93.03313	0.6
95.04906	1.8
96.95889	11.0
97.02827	2.4
97.06446	1.6
99.49561	0.5
101.02316	6.1
109.06503	1.0
111.08043	12.7
113.02320	3.0
113.09566	0.5
119.03374	1.0
123.04370	0.7
125.09593	2.0
135.08113	0.6
137.09596	1.6
141.08997	0.5
161.04478	2.5
163.11169	1.2
165.12744	2.0
167.10684	2.0
169.12267	2.8
171.10172	2.7
177.12779	1.8
179.05585	0.8
179.10687	1.2
181.12245	0.9
185.11789	1.7
191.14418	1.4
195.13838	7.9
197.11760	35.5
198.12051	1.2
199.13345	1.7
201.11253	3.1
209.11797	6.9
211.13329	5.0
223.13399	2.1
225.11339	0.7
227.12892	2.8
229.19559	0.6
229.35541	0.6
235.08168	2.6
239.76335	0.6
244.01607	0.6
245.19162	3.4
247.20564	2.8
253.09254	21.4
254.09746	0.8
255.23082	0.6
263.20105	1.8
265.18106	1.2
273.18564	2.0
275.20105	3.3
277.21658	3.4
278.22009	0.6
289.18091	13.7
290.18436	1.2
291.19659	100.0
292.19965	8.6
293.21228	27.3
294.21436	1.8
307.19171	9.3
308.19473	1.2
309.20688	38.2
310.20923	3.9
327.28021	0.6
397.13550	1.1
527.28625	1.4
845.82886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.8
69.03330	1.3
69.51138	4.5
71.01255	6.3
71.04841	0.9
83.04903	1.1
85.02808	1.0
86.54525	0.6
87.00751	1.6
89.02315	3.0
95.04913	1.8
95.57576	0.6
96.95878	0.9
97.06474	0.7
98.20512	0.9
101.02332	4.4
106.20770	0.6
109.06479	0.7
111.08041	12.6
113.02317	2.7
113.09595	0.7
116.92712	1.5
119.03394	0.7
124.47129	0.6
135.11714	1.0
137.09602	1.1
149.09601	1.5
161.04497	1.6
163.11182	0.7
167.10725	3.4
169.12180	0.6
170.80731	0.6
171.10167	1.8
177.12747	3.5
179.10719	3.2
195.13838	9.3
197.11760	1.3
211.13297	1.0
220.65843	0.6
223.13290	1.8
235.08220	1.9
245.19093	1.0
247.20638	3.6
253.09256	8.8
273.18579	1.8
275.20209	3.4
277.21735	5.3
289.18054	6.6
291.19644	100.0
292.19946	6.9
293.21201	11.2
294.21655	1.3
307.19125	5.9
309.20728	0.9
709.25592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00978	0.5
59.01249	4.8
59.44021	0.3
61.98700	0.4
63.34573	0.3
69.03323	0.8
71.01250	5.1
72.99166	0.4
73.02818	1.3
75.97861	0.3
78.95768	0.4
81.03336	0.3
83.01254	0.7
83.04884	0.9
85.02812	1.5
87.00732	0.7
89.02310	2.7
94.92384	0.3
95.01227	0.3
95.04890	0.3
96.95890	3.8
97.02809	0.8
97.06483	0.6
98.20656	0.6
101.02322	4.2
109.06483	0.6
111.08038	9.8
113.02357	2.1
113.09544	0.3
119.03384	1.1
123.37724	0.3
125.09632	0.6
127.07554	1.3
137.09590	0.4
139.11140	0.5
143.03444	0.4
151.11189	0.9
153.09135	0.4
153.12759	1.2
161.04475	1.8
163.11209	0.6
165.12729	1.0
167.10742	0.5
169.12233	4.4
171.10181	1.4
174.72359	0.3
179.05496	0.6
179.10675	0.6
181.12250	2.0
183.13814	1.2
193.12247	1.1
195.13901	0.4
197.11755	47.3
198.12027	1.9
199.13365	2.8
209.11751	1.1
211.13321	9.0
212.13716	0.5
221.15364	0.3
227.12744	1.7
229.19531	0.4
235.08205	2.4
247.20673	0.8
253.09244	23.1
254.09596	1.1
263.20135	3.9
265.18134	1.4
273.18570	1.1
277.21768	1.0
289.18167	0.4
291.19644	23.1
292.20093	1.6
293.21170	1.5
307.19183	0.6
308.19513	0.5
309.20691	100.0
310.21051	7.6
325.20172	0.4
328.44156	0.3
352.77029	0.3
380.45081	0.4
433.20584	0.3
449.46844	0.3
527.28479	0.9
545.29633	4.2
546.29852	0.4
601.41107	2.0
835.04010	0.3
837.49652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.1
61.98684	0.3
69.03323	1.4
71.01254	4.7
71.35336	0.3
71.35667	0.3
72.99189	0.2
73.02816	1.0
78.95795	0.4
81.03330	0.4
83.01251	0.6
83.04904	0.7
85.02818	1.4
87.00751	0.9
89.02322	3.2
91.03893	0.2
92.75558	0.2
95.01259	0.4
95.04887	0.4
96.95889	2.0
97.02831	3.4
97.06492	0.7
101.02322	4.4
106.28657	0.3
109.06460	0.8
111.08047	8.1
113.02339	2.5
119.03385	0.8
119.08559	0.3
123.08018	0.4
125.02340	0.4
125.09621	0.9
127.07549	1.2
131.03416	0.2
137.09634	1.3
139.11153	0.3
141.09114	0.4
143.03348	0.4
145.04935	0.4
151.11179	1.0
153.12769	0.9
155.10686	0.4
161.04483	2.5
163.11253	1.2
165.12801	2.8
167.10687	0.3
169.12250	3.5
171.10201	3.0
175.11203	0.3
177.12721	0.4
179.05559	0.9
179.10707	0.5
179.14326	0.4
181.12210	1.4
183.13766	1.2
185.11752	0.5
187.93303	0.3
189.12811	0.3
193.12239	1.0
193.15987	0.5
195.13797	0.3
197.11768	40.9
198.12123	1.8
199.13351	2.5
207.10182	0.3
209.11775	1.2
211.13324	7.9
212.13753	0.6
216.83565	0.2
221.11777	0.6
223.13336	0.7
225.15074	0.3
227.12808	3.1
235.08180	2.4
247.20668	2.8
251.16014	0.2
253.09270	20.9
254.09579	0.8
256.09628	0.2
263.20123	3.3
265.18036	1.3
273.18671	1.3
289.18179	0.3
290.18378	0.3
291.19662	35.4
292.20007	2.9
293.20975	0.4
303.08643	0.2
307.19098	0.3
309.20703	100.0
310.21045	7.4
334.10785	0.2
433.20816	0.3
527.28467	0.7
545.29645	2.7
601.40979	1.8
602.41241	0.3
781.32477	0.3
837.49268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	8.9
61.98700	8.7
68.12144	1.0
69.03301	1.8
69.39653	5.4
69.40076	4.5
71.01250	10.6
73.02796	1.7
78.91756	2.6
84.24861	1.2
85.02823	3.2
87.00735	2.0
89.02290	5.4
95.01269	2.2
95.04871	1.4
96.95889	1.8
97.02766	2.2
97.06451	3.3
101.02322	7.1
101.82944	1.1
109.06465	2.1
111.08067	1.9
113.02324	3.8
123.04370	1.7
123.08007	3.0
125.02244	1.4
125.09587	11.1
135.08046	5.5
137.09625	3.6
139.07526	3.9
139.11179	1.5
151.11174	1.5
153.09059	7.4
155.10681	18.6
161.04410	3.1
161.05650	1.4
163.11118	2.6
165.09119	3.3
168.75673	1.2
171.10201	6.3
181.12248	2.6
183.10179	10.6
185.11754	4.8
187.09645	1.3
195.13846	10.0
199.09682	9.7
201.11217	7.0
207.10129	2.5
209.11714	4.5
211.13412	1.6
213.11263	24.7
223.13370	7.8
225.11218	3.3
235.08130	1.6
243.17458	1.8
245.19133	1.4
253.09245	21.4
256.61511	1.1
261.18655	2.5
275.20242	6.2
277.18274	1.4
277.21597	6.8
279.19543	3.4
279.22534	1.1
287.16522	7.6
289.18060	5.7
291.19678	11.5
293.21219	100.0
294.21439	5.5
305.17563	21.5
306.18048	1.5
307.19077	6.4
309.20551	2.6
321.17010	2.7
323.18610	25.3
324.18912	1.4
419.19144	10.4
435.18616	1.4
449.20050	1.8
541.26495	4.2
559.27515	3.1
636.04492	1.5
753.47272	1.3
817.47003	2.5
835.48981	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	837.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	2.6
59.01249	58.8
61.98705	7.0
67.01743	0.7
69.03320	4.3
71.01250	62.1
71.58064	1.1
72.51275	0.6
72.99183	5.9
73.02820	10.4
75.00727	1.0
79.95598	0.9
80.91568	0.8
81.03333	1.5
83.01257	7.7
83.04881	0.9
85.02820	13.4
85.99947	1.0
87.00747	20.6
87.04376	1.0
89.02316	53.4
91.03884	1.1
95.01279	4.6
96.95895	3.8
97.02811	7.1
99.00749	1.7
99.04374	0.9
101.02319	47.7
102.02652	0.9
109.02808	1.1
109.03947	0.7
111.00759	1.3
111.04353	1.0
111.08044	0.7
113.02331	32.3
115.03906	1.3
119.03396	11.7
123.04414	0.9
124.01550	0.9
125.02320	17.9
127.03859	1.2
129.01860	1.1
131.03403	9.3
131.04352	0.9
133.04956	0.8
139.03883	1.6
141.01735	0.9
143.03400	9.8
145.04982	1.2
149.04434	1.7
151.03975	0.8
157.04984	0.8
161.04463	15.8
167.03401	0.9
171.10173	1.2
179.05522	23.6
180.05812	0.9
181.04944	1.2
197.11742	2.7
203.05501	2.0
209.11761	14.2
210.12030	1.1
211.13269	1.3
217.07137	1.2
218.92813	0.9
219.09903	1.5
221.06575	10.6
223.05951	0.7
227.12839	2.2
231.09937	2.5
233.11769	0.6
235.08168	9.0
249.11023	2.8
253.09258	6.1
263.07614	2.6
277.21698	23.8
278.22128	1.5
287.07501	0.9
291.19568	2.3
291.23035	1.1
293.21655	0.8
305.08710	1.0
309.20749	5.7
323.09851	2.8
331.18872	2.0
341.10938	1.0
365.11099	1.1
379.12469	8.0
383.12103	3.8
397.13489	20.8
398.13815	1.4
415.14487	9.5
425.12823	1.2
439.14478	2.9
449.13300	1.1
467.13892	1.2
485.15118	3.4
541.30786	0.8
559.18738	100.0
560.19086	8.0
577.19830	39.3
578.20178	3.5
695.66034	0.8
837.41211	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	835.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	1.1
58.64178	0.6
59.01245	14.4
61.98695	3.9
67.01716	0.8
68.99695	0.8
69.03327	2.8
70.45123	2.1
71.01250	15.3
71.04890	0.7
72.99178	0.9
73.02820	1.9
78.22422	0.8
78.91779	0.7
79.30994	0.7
80.02528	1.3
81.03323	2.5
83.01267	2.9
83.04912	2.3
85.02820	4.1
87.00754	3.4
89.02322	7.7
93.03356	1.4
93.35821	0.7
95.01261	1.1
95.04903	3.0
96.95889	3.2
97.02831	2.3
97.06464	5.6
99.00751	1.6
101.02316	9.8
106.04147	1.1
107.04897	1.1
109.06471	3.3
111.00796	1.4
111.08035	19.7
112.08390	0.9
113.02319	6.1
119.03383	2.3
119.08553	1.0
121.06447	1.9
123.04371	2.2
123.08054	1.6
125.02335	1.6
125.09618	6.6
127.07572	0.8
135.08006	0.9
137.09610	5.1
141.09108	0.9
141.12717	1.3
142.02570	0.8
143.03329	1.2
145.04974	1.0
147.07968	0.9
149.09593	1.0
151.11142	2.1
153.09094	1.4
153.12654	1.7
161.04492	3.4
161.09653	1.1
163.11180	6.6
165.09151	0.9
165.12752	3.2
167.10619	2.5
169.12227	9.2
171.10164	3.1
174.10414	0.7
175.11115	1.4
177.12769	2.2
179.05534	0.9
179.10695	1.7
181.12242	4.0
183.13817	1.5
185.11761	6.9
191.01875	1.1
191.10677	1.2
191.14314	8.5
192.14566	0.7
192.95773	1.6
195.13753	4.8
197.11752	100.0
198.12157	3.6
199.09721	0.8
199.13301	5.5
203.14314	1.3
204.05501	0.8
205.12186	0.7
207.10222	2.6
209.11751	21.4
210.12119	1.0
211.13324	17.5
212.13647	0.7
217.15887	0.9
221.11842	0.9
223.13332	1.9
225.11287	3.6
226.12027	0.7
227.12831	4.4
231.13853	1.0
235.08180	6.6
235.13322	1.6
237.11272	5.5
243.17490	1.0
245.16656	1.6
245.19043	17.4
246.19342	1.3
247.13356	4.4
247.20590	1.3
249.14867	2.4
253.09242	37.5
254.09630	1.4
261.18527	2.1
263.20114	9.4
265.14340	1.7
265.18057	2.1
271.17032	2.1
273.18622	1.2
275.20181	1.8
279.19629	1.1
287.16397	2.1
289.18073	84.7
290.18399	6.1
291.19635	34.1
292.19946	2.1
293.21216	15.6
294.21469	1.3
305.17618	5.6
307.13971	1.0
307.19125	74.4
308.19464	5.9
309.20679	95.5
310.20969	7.9
321.33038	1.0
325.19873	1.2
375.93735	0.7
404.27155	1.1
433.20468	0.9
445.20959	1.0
525.27026	1.9
543.27905	2.3
545.29437	1.7
599.39569	1.0
751.52417	0.9
777.43719	1.0
817.46783	1.5
835.47235	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	835.485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	1.5
59.01252	12.6
61.98703	2.3
67.67632	0.7
69.03325	3.1
69.94213	3.0
71.01253	14.0
71.04904	0.5
72.99180	0.8
73.02820	2.6
78.95782	0.7
79.90337	0.5
79.95617	0.7
80.02563	1.3
80.96397	1.6
81.03336	2.3
83.01257	2.6
83.04881	3.1
85.02813	3.1
87.00761	2.5
87.95731	0.6
89.02317	9.2
95.01271	1.1
95.04919	1.8
96.95889	6.9
97.02827	3.1
97.06461	8.3
99.00758	0.9
101.02323	10.9
106.04105	0.8
107.04890	0.6
109.02846	0.6
109.06483	2.5
110.03594	0.7
111.00761	0.8
111.04400	1.0
111.08041	19.6
113.02334	6.2
117.81207	0.6
119.03400	2.7
121.02827	0.7
121.06472	1.5
123.04393	4.3
123.08048	1.8
125.02313	0.8
125.05926	1.1
125.09608	5.2
127.07551	2.0
135.08069	1.6
137.05998	0.9
137.09605	3.3
141.09033	0.6
141.12750	1.0
142.02661	0.6
143.03392	1.0
145.05000	0.7
147.11682	0.6
148.08783	0.6
149.05937	0.8
149.09648	0.8
151.11247	3.1
152.87314	0.6
153.09154	1.3
153.12772	3.1
155.10693	0.9
160.08900	0.7
161.04446	5.5
161.09573	0.6
163.07513	0.8
163.11194	7.6
165.12756	5.3
167.10603	1.2
169.12262	8.1
171.10205	1.8
175.11205	0.7
177.09081	0.9
177.12752	1.6
179.05547	1.8
179.10664	2.0
181.08485	0.7
181.12230	5.7
183.13849	2.7
185.11769	5.7
191.10684	2.6
191.12662	1.0
191.14320	8.6
192.14545	0.6
193.12277	1.5
197.11761	94.7
198.12021	3.1
199.09740	0.8
199.13338	5.1
207.10147	3.4
209.11766	25.8
210.12151	0.8
211.13333	17.0
217.15912	1.5
220.08156	0.6
221.11728	1.0
222.39644	0.6
225.11258	2.4
227.12881	5.4
235.08185	5.7
237.11285	6.1
243.17380	1.0
245.19061	18.4
246.19440	1.3
247.16891	0.9
247.20663	1.0
253.09245	37.1
254.09671	1.1
255.17958	0.7
255.23367	0.7
261.18695	0.8
263.20129	13.6
264.20441	1.4
265.17990	2.2
271.17062	2.3
273.18616	1.6
273.33871	0.7
279.19678	0.9
281.07614	0.6
281.21320	1.3
287.16458	0.6
289.18088	77.8
290.18423	5.2
291.19653	32.8
292.20023	2.3
293.21143	1.2
307.19141	84.4
308.19501	6.2
309.20694	100.0
310.21027	7.1
325.20090	0.8
370.62146	0.6
433.20615	0.7
445.20715	4.5
525.27008	2.5
543.27997	4.5
545.29602	1.2
608.84119	0.8
637.64868	0.7
726.16071	0.7
737.41162	1.7
835.47290	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.2
61.98701	7.7
63.29553	0.4
69.03325	1.1
70.07518	1.2
70.07938	0.7
71.01252	6.2
71.04404	0.3
71.04908	1.5
73.02827	1.0
80.02557	0.7
81.03332	0.9
82.95301	1.2
83.01271	0.4
83.04919	1.3
85.02840	1.5
87.00780	1.1
89.02303	3.0
93.80750	0.4
95.01301	0.5
95.04906	1.3
96.95863	2.2
97.02847	1.5
97.06496	0.5
98.03630	0.5
99.00799	0.4
101.02318	4.2
106.04079	0.4
107.04893	0.4
109.06465	6.9
109.07166	0.6
110.90965	0.4
111.04404	1.7
111.08035	6.3
113.02319	1.8
119.03412	0.7
119.08618	0.5
121.06474	0.6
123.08041	1.7
125.02377	0.7
125.09660	0.6
127.07552	1.1
135.08043	0.6
137.09615	1.0
141.09096	0.4
143.10693	0.8
145.06485	1.5
149.09694	0.6
151.07706	0.4
151.11203	1.3
153.09093	0.5
153.12764	0.7
161.04486	2.0
163.11195	1.1
165.12773	1.2
167.10692	2.1
169.12236	2.9
171.10184	1.9
177.12820	0.4
179.10683	0.8
181.12262	1.5
183.13750	0.4
193.12206	0.6
195.13821	2.6
197.11757	28.4
198.12120	1.3
199.13264	1.9
207.10234	0.5
209.11807	2.0
211.13350	5.2
223.13417	0.5
225.11415	0.4
227.12866	1.8
233.15692	0.7
234.42758	0.4
235.08214	4.0
235.13338	0.5
243.17662	0.4
245.19040	4.0
247.20668	0.7
251.16467	0.7
253.09253	16.3
254.09764	0.7
256.48584	0.4
263.20087	1.7
265.18182	0.9
271.17029	1.0
273.18698	0.6
287.16534	1.7
289.18076	100.0
290.18454	6.8
291.19632	20.7
292.19864	1.3
293.21252	1.2
307.19125	5.4
308.19360	0.4
309.20682	50.1
310.21115	3.3
351.19226	1.0
433.20944	0.6
525.27167	3.2
545.29926	1.4
581.38928	0.5
679.66302	0.5
687.82422	0.4
792.38519	0.4
817.47186	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	0.5
59.01255	9.1
61.98708	0.9
64.54882	0.2
68.54994	0.1
69.03328	0.6
71.01257	9.3
71.04890	0.2
71.39280	0.1
71.39633	0.3
72.99193	1.0
73.02823	1.1
75.00745	0.4
78.95770	0.2
79.95609	0.2
80.02554	1.2
81.03332	1.6
83.01257	1.4
83.04897	4.7
84.02044	0.9
85.02824	2.4
87.00755	1.9
89.02319	7.2
93.03342	0.7
95.01275	0.8
95.04919	0.7
96.95890	2.8
97.02820	1.3
97.06463	0.3
99.00768	0.7
99.04409	0.3
101.02328	7.1
107.04928	0.4
108.02042	0.5
109.02855	0.7
109.06480	0.6
111.00787	0.2
111.04409	0.3
113.02332	4.0
115.03879	0.3
119.03395	2.1
119.04945	0.3
121.02856	0.4
122.06015	0.2
123.00730	0.3
123.04446	0.4
123.08047	0.3
124.01559	0.3
125.02350	3.8
125.05985	0.8
125.09602	0.4
131.03413	0.3
133.04956	0.3
133.37083	0.2
134.03630	0.5
135.00766	0.2
135.02945	0.2
135.04382	0.5
135.08054	0.9
137.02339	0.8
139.00282	0.2
139.03922	0.4
141.01897	0.2
141.04088	0.3
143.03412	1.5
145.02846	0.2
145.06065	0.2
146.04492	0.2
147.11661	0.2
149.02345	0.6
149.04520	0.3
149.09753	0.2
150.03134	0.5
151.00250	0.3
151.03900	0.3
151.60114	0.2
152.01003	0.4
153.01819	0.5
159.02965	0.2
160.01559	0.7
161.02333	0.4
161.04475	1.9
163.03925	0.3
163.11203	3.7
164.04753	0.4
165.01904	0.2
165.05452	0.4
165.11531	0.2
165.12766	2.6
167.03416	0.3
168.00597	0.2
169.01363	0.3
171.10197	1.1
172.72441	0.2
175.00197	0.2
175.02390	0.4
175.03949	0.6
177.01840	0.4
178.02808	0.2
179.03316	0.2
179.03960	0.2
179.05533	2.1
179.06984	0.3
181.04935	0.3
181.12222	0.8
183.13858	0.3
185.11789	0.3
190.02669	0.3
191.05577	0.3
191.10646	1.1
193.05048	0.6
195.06618	0.2
199.06039	0.2
199.13284	0.7
201.11227	0.2
205.04985	0.5
207.10194	0.2
209.11777	100.0
210.12114	5.8
211.13373	0.6
217.06979	0.2
221.06665	0.9
221.11630	0.2
223.06194	0.3
223.13295	0.3
227.12846	15.8
228.13210	0.8
233.11618	0.3
235.08182	2.3
247.13316	0.8
249.14825	0.2
251.12939	0.3
253.09335	0.4
259.08270	0.3
263.07831	0.2
265.14429	0.3
267.07193	0.2
269.04297	0.3
284.03275	0.4
285.04004	1.0
286.04309	0.2
287.05060	0.2
287.07800	0.9
299.05743	0.3
301.03473	0.5
305.08838	0.9
315.07343	0.2
323.09689	0.6
337.09485	0.2
379.12473	2.3
380.12683	0.2
397.13510	18.1
398.13940	1.3
401.23206	0.2
415.14587	5.3
416.15070	0.4
419.24655	0.3
437.25787	0.3
581.23633	0.2
589.24902	0.5
607.26282	1.0
613.26746	0.2
673.21082	0.3
723.26208	0.2
791.36591	0.2
799.37299	0.6
817.38922	0.4
835.39661	1.0
836.38928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.6
59.01255	8.8
61.98693	0.7
67.01760	0.2
68.99675	0.2
69.03335	0.7
69.54372	0.4
69.54793	0.6
71.01256	10.4
71.04896	0.2
72.99179	0.8
73.02824	1.5
75.00745	0.4
80.02548	1.2
81.03334	2.0
83.01249	1.6
83.04901	5.7
84.02045	1.0
85.02335	0.2
85.02829	2.8
85.99966	0.2
86.03201	0.2
87.00757	2.7
89.02319	6.9
91.01759	0.2
93.03345	0.8
93.29190	0.2
95.01279	0.8
95.04903	0.8
96.95891	1.6
97.02836	1.2
97.06486	0.4
98.95470	0.2
99.00764	0.7
99.04387	0.2
101.02328	6.7
108.02064	0.5
109.02834	0.5
109.06487	0.3
111.00785	0.3
111.04405	0.3
111.08088	0.2
113.02340	3.9
115.00238	0.2
115.03902	0.2
119.03409	2.1
119.04887	0.2
121.02871	0.3
121.06437	0.2
123.00789	0.3
123.04443	0.4
124.01507	0.2
125.02352	3.3
125.05976	0.6
125.09616	0.4
129.01854	0.2
131.03398	0.3
134.03595	0.6
135.00789	0.2
135.04430	0.4
135.08054	0.7
136.01608	0.2
137.02338	0.8
139.00261	0.2
139.03885	0.3
139.05904	0.2
139.07526	0.2
141.01840	0.2
143.03412	1.3
145.02846	0.4
145.06094	0.2
146.04471	0.2
147.11751	0.2
149.02344	0.7
149.04492	0.3
149.06050	0.2
149.09666	0.2
150.03142	0.4
151.00279	0.3
151.03943	0.3
152.01025	0.5
153.01828	0.5
159.02917	0.1
160.01567	0.4
161.02338	0.4
161.04456	2.0
163.03888	0.2
163.11197	4.4
164.04689	0.3
164.11511	0.3
165.01828	0.2
165.05444	0.4
165.12776	2.6
167.03430	0.4
168.00568	0.3
169.12247	0.2
171.10194	1.5
173.04521	0.2
174.01543	0.2
175.02383	0.8
175.03938	0.5
179.05582	2.4
179.07098	0.1
181.04948	0.3
181.12228	0.7
183.13840	0.3
185.11751	0.3
190.02675	0.4
191.05568	0.2
191.10698	0.8
193.05013	0.6
195.06589	0.3
199.06122	0.2
199.13298	0.6
201.11299	0.3
205.04950	0.5
207.10158	0.2
209.11778	100.0
210.12123	5.0
211.13297	0.6
217.07114	0.4
220.45357	0.2
221.06583	0.7
221.11826	0.4
223.06143	0.4
223.13301	0.2
225.11270	0.5
227.12849	16.1
228.13188	0.8
235.08199	2.6
247.13368	0.9
251.12856	0.4
253.09230	0.4
259.08328	0.2
263.07736	0.2
265.14410	0.2
267.07199	0.3
269.04431	0.1
284.03394	0.2
285.03967	0.6
287.07629	0.7
305.08804	0.9
315.07407	0.2
323.09818	0.6
331.06668	0.3
359.22665	0.1
379.12512	2.4
380.12634	0.2
390.85333	0.1
397.13510	19.1
398.13797	1.3
401.23584	0.2
415.14572	5.6
416.15005	0.4
419.24353	0.3
462.89688	0.2
500.63281	0.2
589.24902	0.3
607.26129	0.9
613.26367	0.5
773.35626	0.2
799.37561	0.7
817.39148	0.4
835.39050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00447	0.5
59.01249	100.0
59.28927	0.3
60.01580	0.6
61.98699	3.5
65.43787	0.3
69.27216	0.5
69.27552	3.1
71.00880	0.2
71.01250	6.8
72.99217	0.5
73.02834	0.9
75.00742	0.7
78.14725	0.3
83.01256	0.6
83.04907	0.5
85.02827	0.9
87.00768	0.9
89.02315	1.8
93.03329	0.3
95.04914	0.3
96.95885	2.9
97.02812	0.4
98.20582	0.5
99.00755	0.6
101.02299	2.2
103.43968	0.3
109.06469	1.0
113.02330	1.6
116.92724	0.6
119.03423	0.4
125.02333	0.9
134.03629	0.5
135.04408	2.1
137.02309	0.7
149.02376	0.4
151.03795	0.4
161.02222	0.4
163.03909	25.4
163.11157	0.6
164.04672	2.4
171.10159	1.7
175.02176	0.3
175.03905	0.3
178.06264	32.3
179.03392	0.9
179.05453	0.6
179.07031	10.1
183.13809	0.9
193.08627	68.9
194.05795	1.1
194.08952	3.1
197.11681	0.4
199.09651	0.4
199.13313	1.1
201.11206	1.2
207.10184	1.6
209.08141	8.8
209.11732	5.7
211.13370	4.3
212.13580	0.4
223.05968	0.6
225.11264	2.3
227.12866	2.3
231.10959	0.3
235.08113	0.6
379.12234	0.5
397.13528	3.1
403.17603	22.3
404.17880	1.9
415.14526	0.7
419.17053	1.9
583.35712	0.3
613.17267	0.6
613.26489	6.6
614.26782	1.1
781.35938	0.4
791.37201	0.4
799.36908	0.6
817.38696	0.6
835.38477	1.6
840.17297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	3.1
59.01252	28.9
59.31451	0.9
61.98704	37.4
69.03320	2.3
71.01256	100.0
71.59300	1.0
72.01582	0.9
72.99168	2.1
73.02831	5.9
74.44666	0.7
75.00753	1.4
78.95750	0.8
79.95589	0.9
80.02538	1.1
80.96380	0.7
81.03329	3.2
83.01273	4.0
83.04901	3.6
84.02059	0.8
85.02824	6.3
87.00752	6.0
89.02319	20.0
92.04565	0.9
95.01289	2.5
95.04922	2.3
96.95906	4.6
97.02837	6.0
99.00760	5.1
101.02325	19.0
109.02857	0.9
109.06473	7.7
110.03590	1.1
111.00742	0.9
111.04395	1.0
113.02332	11.8
115.03920	0.9
116.92725	0.9
119.03409	5.4
125.02346	7.7
125.05978	1.1
125.09663	3.6
127.11159	1.4
131.03378	0.8
135.08052	1.6
139.07501	0.8
141.01831	1.0
143.03397	2.9
155.10672	1.7
161.04520	4.4
161.09607	1.2
163.11209	7.3
165.12759	2.8
167.10765	1.2
169.12251	0.9
171.10188	12.4
179.05527	4.4
181.12248	3.6
183.13843	6.8
185.11765	2.6
193.12236	2.2
197.11772	1.4
199.13332	14.9
201.11252	11.7
207.10225	23.7
208.10498	1.1
209.11784	45.1
210.12132	2.7
211.13351	57.2
212.13707	2.7
215.12920	1.0
221.06685	3.7
221.11819	1.0
223.13358	1.0
225.11292	25.9
227.12842	34.7
228.13162	1.7
229.14400	2.5
235.08293	4.6
235.13367	1.6
243.12387	3.0
245.13609	0.8
247.09392	2.2
247.13322	1.1
249.76762	0.9
253.09225	2.2
253.14407	0.9
263.07477	1.0
265.10223	1.0
265.14517	1.1
287.07660	1.2
305.08768	1.0
326.13544	0.8
353.70062	0.8
373.23682	1.1
375.25479	1.2
379.12357	2.5
383.22656	1.1
391.24771	1.1
397.13522	27.8
398.13812	2.0
401.23267	3.0
415.14633	9.0
419.24326	4.1
439.15234	1.1
605.24817	2.3
607.25995	1.5
623.25549	2.6
624.26105	1.0
625.27386	4.0
626.27740	0.8
759.81531	1.0
799.37439	5.2
800.37317	1.0
817.38580	10.5
818.39160	3.6
835.39502	11.4
836.40240	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	835.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.4
61.15434	0.5
71.01254	1.4
71.58185	0.5
71.58603	0.6
72.99162	0.5
75.00738	0.6
79.01786	0.9
83.01234	0.7
85.02811	2.2
87.00749	1.0
89.02283	0.5
93.03333	13.2
95.01213	0.6
97.02797	0.9
97.38937	0.4
99.00741	0.6
103.82791	0.5
105.03274	0.9
107.01244	0.8
108.02059	0.6
109.02828	2.6
113.02308	1.4
119.04910	1.0
119.71776	0.5
121.02808	2.3
123.00738	0.8
123.04413	0.6
125.02311	1.7
130.20175	0.5
133.01848	0.6
133.02835	11.2
135.04395	1.4
137.02341	26.7
138.02692	0.8
147.04352	0.7
149.02325	1.5
151.00267	0.5
151.03868	0.9
153.01793	0.6
153.09161	0.6
161.02321	2.0
163.00317	2.5
163.03922	3.6
165.01802	2.1
173.02371	0.6
173.04501	0.6
175.02481	0.7
175.03860	3.6
177.01820	1.2
179.03334	1.0
189.04147	0.5
191.03444	1.3
191.05489	2.2
193.01291	2.2
199.03893	1.0
201.01851	1.2
203.03433	0.6
211.03860	0.8
213.05573	1.2
215.03415	0.6
217.45938	0.6
221.92902	0.4
227.07019	0.6
229.01396	0.8
237.05560	0.5
240.04128	1.1
241.04999	1.1
245.28735	0.5
249.06158	6.4
253.05133	1.1
255.02913	0.8
255.06618	0.8
257.04581	0.6
259.06064	0.6
269.04462	1.1
281.04562	0.7
284.03250	9.4
285.04001	9.2
297.04028	15.7
298.04721	8.2
299.05600	17.8
300.05884	1.5
311.05682	3.3
325.03421	1.0
327.05069	100.0
328.05466	9.9
329.05905	0.5
331.06613	0.6
339.04990	3.3
340.05313	0.5
341.06500	0.7
357.06143	27.3
358.06622	3.0
361.13959	0.6
369.06131	1.9
387.09323	7.9
411.07101	0.7
447.09305	86.9
448.09641	11.9
459.41040	0.6
835.25214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	7.8
61.98695	16.1
62.91164	0.6
69.03328	1.3
71.01248	5.1
71.57491	1.1
72.99163	1.1
75.00732	2.3
78.75637	0.7
78.91779	0.8
78.95774	1.3
82.99280	0.7
83.01252	0.9
85.02805	0.8
87.00745	1.2
89.02315	2.6
96.95860	0.9
97.02827	2.7
101.02309	3.8
102.56641	0.6
103.03065	0.7
104.03451	0.7
111.08015	2.1
113.02332	2.5
119.03382	1.3
125.02309	0.8
128.99228	0.8
129.23366	0.6
137.09659	1.4
161.04520	1.7
163.11171	1.5
165.12746	2.3
167.14290	0.9
171.10184	3.4
181.12282	1.2
183.13794	7.4
193.12276	2.2
197.11700	8.3
209.11743	2.4
211.13321	100.0
212.13670	5.8
225.11404	0.8
227.12817	2.5
235.08211	3.2
247.20520	1.9
253.09235	12.8
255.23381	1.3
277.21588	1.3
278.22076	0.7
291.19650	22.9
292.19913	1.9
305.17551	0.9
309.20694	48.1
310.20990	4.1
427.76999	0.7
447.22397	8.8
503.34274	1.4
527.28528	1.7
545.29779	3.5
641.63940	0.8
739.42548	1.4
862.18982	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	11.6
60.57259	0.5
61.98698	1.4
65.00177	0.8
65.03825	1.8
67.01760	1.2
69.03329	0.7
69.41306	4.5
69.41710	1.3
71.01248	7.3
72.99168	0.7
73.02810	3.3
73.36379	0.5
75.00732	1.6
81.03362	0.5
83.01252	1.5
83.04856	0.5
83.44148	0.5
85.02833	3.5
87.00741	2.2
88.98657	0.9
89.02303	2.5
91.01794	1.6
93.03323	3.9
95.01278	1.0
95.04913	0.7
96.95893	4.4
97.02815	1.2
97.06472	0.5
98.20512	1.1
99.00751	1.9
101.02310	4.3
107.04854	0.8
108.02044	4.5
109.02836	15.0
111.00774	1.0
113.02300	3.5
114.43497	0.7
117.03335	1.0
119.03377	0.8
119.04887	1.7
121.02820	2.0
122.03594	2.3
123.00739	1.4
123.04383	2.4
124.01534	0.8
125.02342	4.7
133.02774	1.3
134.03627	2.5
135.00760	4.7
135.04395	3.1
136.01538	1.0
137.02338	8.8
138.03142	1.3
139.00244	1.8
139.03850	1.0
141.04076	1.2
145.02870	3.8
147.04405	3.0
149.02362	4.2
149.06009	0.9
149.99512	0.7
150.03145	9.0
151.00276	1.2
151.03928	7.1
152.01050	5.6
152.04674	1.3
153.01839	43.9
153.09050	0.7
154.02258	1.2
155.03348	0.8
158.03601	0.6
159.04428	0.8
160.01575	1.5
161.02351	2.4
161.04427	1.4
161.05995	0.9
162.03111	2.0
163.03911	7.5
164.04652	1.8
165.01866	2.5
165.05498	8.8
166.02652	2.9
166.06128	1.9
167.03400	6.5
168.00546	2.5
169.01335	1.3
169.05057	0.8
173.02370	1.1
173.05949	0.8
174.03076	3.8
175.03915	22.0
176.04720	3.6
177.01863	1.3
177.05443	3.7
178.02621	0.9
179.03439	2.9
179.06949	0.8
180.04190	14.3
181.04947	2.3
188.04689	5.2
189.05479	10.2
190.02652	0.8
190.06274	26.2
191.03427	2.2
191.05516	1.9
191.07050	19.0
192.04202	1.3
192.07553	0.8
193.04982	16.1
194.05792	12.1
195.06519	6.2
196.06924	0.9
203.07094	5.1
205.05206	2.8
205.08633	25.9
206.05826	1.1
206.09058	1.2
207.06566	10.7
208.07356	11.7
209.04468	1.1
209.08031	0.9
220.07498	0.8
221.04427	0.6
222.08916	1.3
223.06094	1.7
223.09729	2.0
235.06137	0.6
235.09705	0.6
267.06866	1.2
271.02533	0.6
285.04007	4.6
286.04489	0.7
301.03503	0.6
303.08923	0.9
315.07178	1.2
329.10107	1.0
331.06671	4.0
341.10168	1.3
355.11719	1.5
356.12723	0.7
359.11292	1.1
359.15131	1.1
363.10870	1.4
371.14874	1.7
374.13776	6.1
375.14453	2.4
387.14413	0.7
388.15063	0.9
389.16040	100.0
390.16370	8.3
401.15991	3.3
403.17703	4.1
413.08771	0.9
419.17123	9.1
461.18277	4.0
465.14056	1.3
537.21014	0.7
599.15143	1.0
599.24927	24.3
600.24988	2.9
629.26013	24.8
630.26508	4.2
671.25928	1.1
812.43292	0.7
833.27869	3.3
834.25934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.3
61.97015	0.4
61.98700	0.4
69.03319	0.6
69.45918	3.2
71.01281	2.2
72.99160	0.4
83.01249	0.5
84.02069	0.6
85.02827	1.9
89.02309	0.9
93.03344	1.2
95.01270	0.8
96.95905	1.2
101.02285	0.7
107.01287	0.4
107.04940	0.5
108.02038	0.8
109.02834	3.5
111.00764	0.9
113.02364	0.9
119.04929	0.7
121.02814	1.0
123.00756	2.9
123.04408	0.8
124.01566	2.1
125.02341	2.6
133.02859	0.9
134.03625	1.0
135.00671	0.4
135.04395	1.6
136.01550	0.5
137.02350	12.9
138.03107	0.7
139.00259	0.9
139.03896	3.1
144.56392	0.5
149.02359	2.7
149.05989	0.7
150.03110	1.6
151.00276	24.6
151.03893	2.3
152.01068	3.2
152.04720	2.2
153.01834	2.7
153.05502	0.8
159.04440	1.2
160.01582	0.9
160.05182	0.6
161.02365	1.4
163.03917	1.3
164.04716	1.1
165.01855	1.6
165.05486	0.8
166.02628	80.6
167.03374	4.8
168.00621	0.7
172.05057	0.4
173.02359	0.9
174.03212	0.5
175.03915	3.4
176.01006	0.6
176.04578	0.9
177.01891	4.0
177.05496	1.3
178.02625	0.8
179.03477	1.4
179.06984	1.1
180.04195	0.4
181.04988	100.0
182.05298	2.8
184.03670	0.8
187.03938	1.2
189.05533	0.7
190.02644	1.6
190.06316	1.6
191.03349	3.6
191.07097	0.5
192.04221	1.6
193.04942	1.9
194.05576	0.5
195.02882	1.2
203.03459	0.9
204.04250	0.9
205.04991	6.5
205.08646	1.3
206.05780	3.2
207.06615	2.1
218.05788	0.8
219.06615	1.4
220.07365	3.9
221.08122	6.3
223.06157	0.5
228.96017	0.4
233.08231	0.6
235.09775	1.0
281.04739	0.7
285.03973	0.9
287.05579	1.1
301.07019	0.4
312.06329	0.7
327.08807	0.6
331.06680	0.9
339.08765	2.2
340.09448	0.5
341.10269	0.4
342.11234	0.4
343.42102	0.4
346.20157	0.5
354.11127	1.0
356.12698	0.5
357.09750	1.6
359.11267	2.5
365.91931	0.5
371.11462	0.5
372.07721	0.8
372.12167	6.6
373.12668	1.2
384.12198	0.7
387.10669	12.1
387.14548	26.2
388.10928	1.0
388.14890	1.7
399.14313	2.1
401.16055	1.3
402.13184	13.7
402.18484	0.7
403.13556	2.4
417.15533	96.8
418.15881	9.1
428.30542	0.4
431.17142	1.6
471.49158	0.4
490.58566	0.5
568.24402	0.5
597.14044	0.6
597.23376	9.1
598.24146	1.1
609.23438	1.1
627.24432	36.9
628.24780	6.0
661.70618	0.4
712.41718	0.4
828.89417	0.4
831.36755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.9
59.01249	13.7
59.70010	0.2
60.99162	0.4
61.98697	0.9
63.17122	0.2
64.71156	0.2
67.01785	0.2
69.03324	0.8
69.33449	0.2
69.85011	0.2
71.01250	14.9
72.99178	1.8
73.02816	2.8
75.00748	0.4
76.67374	0.2
81.03339	0.9
83.01254	2.0
83.04881	0.3
85.02820	3.6
87.00739	4.9
88.98656	0.7
89.02312	12.8
91.03902	0.3
95.01244	1.2
97.02828	2.6
99.00757	1.0
99.04377	0.3
101.02318	12.2
109.02823	0.6
111.04398	0.7
113.02324	7.5
115.03852	0.3
119.03394	2.8
121.02886	0.3
125.02332	7.3
125.09608	1.0
127.03864	0.3
127.11182	2.0
131.03397	0.6
133.04932	0.7
137.02286	0.3
139.03932	0.7
141.01756	0.2
143.03392	2.6
149.04477	0.4
153.09109	0.5
161.04472	3.5
167.03366	0.4
171.10172	100.0
171.59074	0.2
172.10475	2.7
179.03435	0.2
179.03975	0.3
179.05522	3.5
179.06967	0.3
185.04550	0.3
191.03294	0.2
195.10229	0.4
199.06020	0.7
203.05479	0.2
209.04466	0.5
209.11746	0.4
213.11284	0.7
217.07164	1.0
221.06610	1.2
233.22842	0.2
235.08174	5.8
245.06641	0.5
253.09236	1.0
259.08228	0.7
263.07605	0.2
275.20007	0.2
277.21704	55.9
278.22095	4.3
287.07700	2.0
305.08737	2.3
319.10257	0.2
319.22989	0.3
323.09790	1.0
361.11255	0.4
379.12430	10.4
380.12875	0.5
397.13474	36.7
398.13849	2.0
415.14548	6.9
416.15106	0.5
551.23315	1.1
569.24536	1.9
675.36133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	20.9
61.20610	0.5
61.98700	3.1
69.03311	0.7
69.37113	1.2
69.37440	5.3
71.01254	5.9
75.00729	0.7
75.95809	0.6
81.03323	0.7
83.01261	1.7
83.04903	1.2
85.02817	1.5
87.00732	1.6
88.98650	0.8
89.02317	5.0
95.01275	0.9
97.02814	1.4
97.06470	2.3
97.68441	0.5
101.02325	4.7
109.61732	0.5
113.02348	3.1
119.03396	0.9
123.04426	1.3
123.08078	0.8
125.02318	0.7
125.09624	3.7
125.36311	0.6
127.87189	0.6
137.09631	2.2
141.12640	0.6
143.03429	0.8
161.04482	1.5
161.09581	0.6
163.11206	4.2
165.12782	1.5
167.14287	0.6
171.10193	9.1
177.12744	0.7
181.12321	0.8
183.12335	0.8
183.13837	6.5
185.11749	3.7
191.10689	0.8
191.14326	4.6
193.12259	1.9
207.10220	1.9
209.11775	10.4
210.12186	1.3
211.13345	100.0
212.13672	4.4
225.11252	1.9
235.08325	3.2
237.11327	2.0
245.19093	8.6
253.09294	10.4
254.09590	0.7
258.40622	0.6
263.20175	2.3
271.16965	1.6
277.21701	5.8
277.24533	0.8
289.18094	42.7
290.18500	3.2
305.17496	0.7
307.19156	39.0
308.19516	3.0
379.12341	0.8
385.23813	0.7
397.13358	3.2
447.22302	2.5
483.31097	1.0
501.32239	0.9
525.27118	1.8
528.37756	0.6
543.28314	2.4
596.34650	0.6
621.32770	4.4
622.32800	0.7
719.40509	1.0
737.41400	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	829.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	1.0
59.01248	16.9
61.98713	0.3
68.99692	0.4
69.03329	1.4
71.01249	16.0
72.99168	1.5
73.02822	3.4
75.00729	0.6
81.03323	1.0
82.62899	0.2
83.01260	2.2
83.04887	0.2
85.02819	4.8
85.99935	0.2
87.00740	5.4
88.98673	1.0
89.02310	13.6
91.03860	0.4
95.01268	1.6
97.02827	3.6
97.06483	0.2
99.00756	0.8
99.04373	0.3
99.08035	0.3
99.23927	0.3
101.02314	14.8
103.00210	0.3
103.99110	0.2
109.02814	0.4
111.00740	0.4
111.04406	0.5
113.02326	7.9
114.02602	0.2
115.03893	0.2
119.03383	3.7
121.02814	0.5
123.00801	0.3
124.01551	0.3
125.02327	8.1
125.09611	0.8
126.02640	0.2
127.03870	0.3
127.11176	1.8
131.03392	0.8
133.04941	0.5
139.03883	0.9
141.01790	0.4
143.03400	2.9
145.04964	0.3
149.04460	0.4
153.09055	0.4
161.04462	3.3
167.03386	0.5
169.04973	0.4
171.10170	100.0
172.10515	3.9
179.05496	3.6
181.04959	0.4
182.46176	0.2
185.04451	0.2
185.11685	0.4
199.06026	0.7
203.05612	0.2
209.11763	0.4
213.11316	0.3
217.07071	1.4
219.05162	0.2
221.06656	1.6
227.05521	0.3
233.22514	0.3
235.08183	6.3
236.08472	0.5
245.06653	0.4
253.09239	1.1
259.08194	0.9
263.07748	0.3
269.06689	0.3
275.20160	0.5
277.21701	64.4
278.22058	5.0
287.07794	2.3
291.23264	0.9
305.08749	2.1
319.22604	0.5
323.09787	0.7
379.12418	9.4
380.12781	0.6
397.13477	35.6
398.13763	2.5
405.46573	0.2
405.78088	0.3
415.14545	7.9
416.15189	0.3
551.23492	0.6
569.24335	0.7
621.76990	0.3
675.35394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	15.9
61.71682	1.2
61.98673	1.6
65.03844	1.1
69.03323	7.4
71.01249	13.6
71.58661	1.4
72.99183	2.1
73.02816	3.1
75.00749	2.7
81.03326	1.9
83.01243	2.1
83.02360	1.8
85.02812	11.1
87.00764	2.6
89.02322	4.7
91.01747	1.3
93.03329	8.2
95.01262	4.4
96.95866	10.7
97.02819	2.7
99.00744	2.2
99.01914	1.0
101.02310	4.7
104.22367	1.2
107.01250	1.6
107.04881	1.4
107.65012	1.0
108.02045	65.8
109.02844	26.1
112.97955	1.0
113.02341	8.0
117.03329	18.1
119.04044	2.0
119.04909	40.7
120.05241	1.3
121.02859	5.1
123.00753	4.8
123.04388	2.1
125.02325	10.4
132.02051	1.3
133.02840	3.6
134.03619	8.5
135.00774	3.2
135.04396	3.7
136.01498	2.1
137.02327	8.6
139.03928	2.0
140.59212	1.1
141.04099	2.1
145.02843	72.7
146.03217	3.9
148.01527	1.4
149.02361	13.7
149.05969	1.4
150.03127	8.7
151.00259	6.1
151.03886	4.7
152.01047	100.0
153.01834	58.2
154.02130	2.3
155.03371	1.3
160.01561	5.5
161.02316	4.5
163.03905	29.9
164.04643	4.8
165.01854	4.6
165.05434	7.9
166.02654	1.9
166.06110	1.3
167.03412	2.4
168.00526	3.2
169.01370	1.4
173.04410	2.2
175.00273	4.7
175.02531	1.6
175.03865	6.7
176.01067	3.3
176.04620	1.7
177.01825	3.3
177.05383	2.3
178.02615	2.6
179.03406	4.8
179.05585	2.1
179.07086	2.4
181.04974	2.9
183.02979	1.2
187.03848	2.6
189.05511	1.4
190.02629	12.5
191.03435	5.0
191.05322	5.7
191.07066	1.7
193.04959	6.2
194.05728	1.5
195.02876	1.7
195.06529	7.1
205.05013	8.3
209.04427	1.3
209.08037	3.2
215.03250	1.3
217.04913	1.6
223.05966	5.0
235.06189	1.7
247.06320	1.4
267.07272	1.5
269.04385	1.3
271.02502	1.3
284.03296	2.0
285.04037	8.1
286.04630	1.2
287.09412	1.4
297.06204	9.1
299.01947	1.2
300.02692	1.4
307.08203	6.8
315.07642	6.1
331.06683	2.2
337.08939	1.4
403.14392	1.2
461.10852	28.4
462.11060	3.0
475.12595	3.5
503.12076	1.9
512.19336	1.1
515.08099	1.9
521.12604	1.1
521.54114	1.2
623.16132	82.1
624.16345	7.7
629.25867	1.5
785.38855	2.1
829.21277	36.0
830.21436	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	829.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78246	0.8
59.01251	14.1
59.14790	0.8
60.74203	0.7
69.03328	5.5
71.01249	6.7
72.99188	0.9
73.02785	2.0
75.00738	0.9
76.60479	0.7
81.03329	1.5
83.01240	1.6
85.02822	6.2
87.00716	2.6
87.12074	0.7
89.02303	1.9
91.01733	1.3
93.03345	5.2
95.01219	3.4
96.95887	4.3
97.02785	2.5
99.00771	1.2
101.02280	2.9
107.01236	0.8
107.04878	1.4
108.02052	72.9
109.02850	20.2
111.00724	1.1
113.02339	4.7
117.03345	10.5
119.04922	11.5
120.05132	0.9
121.02805	3.0
123.00712	2.3
123.04334	2.3
124.01505	1.1
125.02319	6.0
132.02084	5.3
133.02853	4.8
134.02675	1.5
134.03622	22.1
135.00775	4.3
135.04430	4.5
137.01538	0.7
137.02353	6.2
141.04010	2.5
145.02850	37.7
146.03180	0.9
147.04422	1.4
149.02298	4.7
149.05940	3.2
150.03091	1.1
151.00206	2.4
151.03833	2.2
152.01051	100.0
153.01845	32.1
155.03366	0.9
160.01569	25.8
161.02362	11.5
163.03912	10.8
164.04561	2.3
165.01842	1.8
165.05396	1.9
167.03381	1.7
173.04417	0.9
175.00218	2.1
175.03915	30.2
176.01021	2.1
176.04265	1.5
177.01750	1.7
178.02538	2.9
179.03337	2.9
180.04182	0.8
190.02632	4.9
191.03349	2.5
191.05441	6.9
192.04117	1.0
193.03387	1.1
193.05005	13.8
194.05516	0.8
195.06450	1.1
205.04886	3.2
209.04439	1.0
221.04585	0.8
223.05974	2.4
229.74405	1.1
243.06898	0.7
281.06525	1.4
285.03976	1.1
297.06268	5.0
303.09195	1.1
307.08136	4.3
315.07263	5.0
322.06754	1.1
323.07483	2.4
331.06470	1.2
337.09329	4.9
348.36450	0.9
417.11923	1.5
447.13025	1.5
451.83859	0.8
461.10825	8.6
475.12436	8.0
476.11914	1.3
491.11902	18.6
492.11877	2.0
505.13516	8.2
620.47174	0.9
623.16193	13.2
624.16272	1.8
653.17291	10.9
818.34344	0.8
829.21631	42.2
830.21790	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	827.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62081	1.0
58.23766	0.8
59.01250	26.5
65.90788	0.9
68.80391	0.9
71.01254	4.9
73.02804	1.5
78.63398	0.8
78.95764	1.7
80.02570	1.0
81.03354	2.3
83.01231	1.1
83.04893	8.8
85.02822	8.6
87.00747	1.6
89.02303	3.1
95.04848	1.2
97.02856	1.6
98.20542	2.6
101.02324	4.2
106.69083	0.9
109.06483	5.2
110.03617	1.2
113.02325	3.6
116.92740	1.4
123.04410	2.1
123.08042	1.1
128.18901	1.0
132.43129	0.9
142.02650	1.7
146.87547	0.9
149.09590	1.3
156.20097	0.9
158.80255	1.0
161.04408	1.2
171.10170	6.3
175.11159	1.1
177.12753	7.3
193.12212	1.5
195.13815	2.6
209.11653	1.2
221.11778	99.6
222.12178	5.5
223.13380	1.4
229.39226	0.9
235.08176	4.4
237.22070	0.9
239.12852	45.3
240.13184	2.0
248.87314	0.9
253.09233	11.1
277.21704	100.0
278.22028	6.6
283.69391	0.9
457.20877	4.4
475.21655	11.2
499.34195	1.2
735.43225	18.4
736.43878	2.8
740.60522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.0
61.04155	0.8
63.47657	0.7
71.01251	2.9
71.58764	0.8
71.59117	0.7
79.04747	0.7
83.01246	0.9
85.02804	3.1
89.02277	1.2
99.00793	0.9
101.02328	0.8
109.02843	1.3
113.02319	0.8
123.00754	1.4
132.88269	0.7
137.02315	6.0
149.02377	0.8
151.00255	11.4
151.03877	1.0
152.01024	1.1
152.04704	1.8
153.01778	1.0
153.09085	3.1
161.04488	1.1
163.03819	0.9
165.01828	1.2
166.02611	43.2
167.03214	2.6
170.67776	0.8
175.03867	1.7
177.01839	1.6
179.10672	2.7
181.04976	74.6
182.05315	3.4
190.06203	1.1
191.03342	0.9
191.05583	1.1
192.04121	0.9
193.04907	1.2
195.03120	0.8
205.12254	2.7
207.06519	1.3
223.13348	1.4
359.11255	2.3
387.10779	9.5
388.11224	1.5
402.13092	8.4
403.13663	1.0
417.15503	100.0
418.15851	10.9
427.19629	1.5
441.57416	1.0
511.09268	0.9
561.19659	1.2
581.89221	1.0
634.38037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.6
69.03336	0.7
69.29252	2.5
71.01251	0.7
72.04131	0.2
80.02539	0.3
83.04877	1.2
93.03336	0.6
95.04880	1.6
97.06461	0.4
98.12526	0.2
107.08542	0.3
109.06458	1.0
111.08035	15.8
112.08344	0.5
113.09616	1.4
121.06494	0.5
123.08044	0.5
131.51773	0.2
133.10092	0.4
135.11713	0.5
137.09602	1.4
139.11168	0.5
141.09160	0.5
149.09610	1.0
151.11195	1.1
155.10670	0.4
163.11122	0.3
165.12762	1.1
167.10672	3.4
168.16711	0.2
169.12215	0.7
177.12749	3.9
179.10693	3.2
179.14363	0.5
181.12270	1.1
191.10681	0.4
195.13829	10.6
196.14221	0.6
197.11852	0.4
203.14322	0.7
209.11749	3.3
219.17496	0.5
220.11893	0.2
223.13321	1.1
231.17427	0.3
247.20605	4.5
248.21281	0.3
266.76035	0.3
273.18561	3.0
277.21732	1.3
291.19644	100.0
292.19995	6.2
309.17014	0.8
309.20715	2.2
310.21146	0.3
425.02090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.5
59.01244	9.0
69.03319	1.5
71.01249	8.2
71.34700	0.4
71.35020	0.4
72.99167	0.7
73.02819	2.3
81.03334	0.5
83.01241	1.6
83.04884	0.9
84.02024	0.3
85.02816	6.4
87.00748	1.9
89.02312	5.2
91.03880	0.5
95.01246	0.8
95.04906	0.8
96.95866	0.7
97.02821	1.2
97.06459	3.2
99.00752	0.4
99.04327	0.3
101.02320	7.1
103.03867	0.4
105.81415	0.3
110.03622	0.4
111.08036	0.3
113.02320	4.2
119.03373	1.8
119.08507	0.4
123.08016	0.4
125.02307	0.5
125.09607	0.9
127.11151	1.3
133.04950	0.8
137.09599	1.3
141.08980	0.3
143.03368	1.0
145.04959	1.5
155.10732	1.4
157.04987	0.6
161.04433	3.0
163.11157	0.5
165.12688	0.9
167.10732	0.4
167.14325	0.9
171.10172	16.3
172.10541	0.5
177.12762	0.4
179.05518	1.3
183.13831	3.1
185.11736	1.1
193.12251	1.1
195.13806	0.5
197.11787	0.6
201.11191	0.5
209.11769	2.0
211.13324	15.5
212.13593	0.5
221.11754	2.7
222.55489	0.3
227.12816	0.7
229.14403	11.2
230.14696	0.6
235.08179	15.8
236.08572	0.6
239.12921	1.3
247.20546	0.6
253.09245	28.4
254.09618	1.1
259.20728	0.4
273.18448	0.3
277.21695	100.0
278.22025	7.0
291.19662	7.3
291.22195	0.2
292.19772	0.4
293.20981	0.4
309.20676	15.7
310.21069	1.0
311.22113	0.4
327.21735	85.3
328.22110	6.1
462.66513	0.3
513.30707	0.7
545.29846	2.9
563.30780	3.7
587.43060	1.6
621.80017	0.4
816.94537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	1.9
59.01247	6.8
61.98699	12.3
69.03353	1.2
71.01244	5.5
71.04919	1.4
71.57607	0.5
73.02854	1.1
75.88132	0.4
78.91777	0.5
78.95794	0.5
83.01278	0.5
83.04923	1.2
85.02861	1.3
85.06471	1.0
87.00720	0.7
89.02313	3.4
96.95909	1.6
97.02836	3.1
97.06508	1.3
98.60825	0.4
101.02322	5.5
106.28641	0.4
109.06492	1.2
111.04432	0.6
111.08027	3.0
113.02313	2.8
119.03414	1.3
121.10114	0.7
125.09669	0.9
127.07589	0.7
131.03394	0.6
135.07980	0.4
137.09654	0.8
141.16356	0.5
143.03392	0.7
161.04433	2.9
163.11197	0.5
165.12717	2.0
167.10588	0.5
169.12268	1.5
171.10193	4.1
177.12770	0.5
179.05545	1.0
179.14372	1.6
181.12244	0.7
183.13829	0.9
193.12259	1.2
195.13828	13.8
196.14311	0.7
197.11769	9.5
197.13521	0.8
205.12346	0.8
209.11752	0.6
211.13330	3.8
221.11734	0.5
221.15367	3.1
223.13333	7.6
224.13850	1.0
227.12825	1.5
228.13593	0.5
228.93817	0.5
231.21078	0.6
235.08101	2.8
235.16920	0.4
239.16470	0.8
247.09502	1.8
247.20628	1.7
251.16426	0.6
253.09242	31.3
254.09587	1.3
256.13095	1.0
263.20218	0.9
265.10489	1.4
265.21777	0.6
273.18634	1.0
275.20169	7.9
277.21692	1.1
291.19638	30.1
292.19949	2.5
293.21204	100.0
294.18317	0.5
294.21564	9.0
309.20682	85.8
310.21051	5.9
344.31464	0.4
483.18378	0.5
529.30347	0.7
545.29626	2.4
585.41467	2.5
586.42126	0.8
670.83173	0.5
839.88922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
58.00477	0.4
59.01243	5.5
61.98715	1.3
67.01741	0.3
67.79155	0.3
69.03339	1.1
71.01260	4.8
71.06894	0.7
71.50906	0.3
72.99210	0.4
73.02851	1.1
80.91584	0.9
81.03343	0.4
83.04931	0.8
85.02844	1.3
87.00767	0.7
89.02317	3.6
95.01291	0.5
95.04900	0.3
96.95891	2.2
97.02835	3.3
97.06495	0.7
101.02316	4.1
101.02902	0.3
109.06538	0.4
111.08046	3.5
111.33517	0.3
113.02341	2.8
119.03417	1.0
121.10159	0.9
123.08057	0.5
125.02370	0.3
125.09660	1.0
127.07603	0.4
137.09660	1.0
141.09119	0.5
143.03433	0.7
153.12738	0.4
160.87527	0.3
161.04442	2.7
161.21988	0.3
163.11186	1.2
165.12773	2.7
167.10680	0.5
169.12276	1.3
171.10190	4.0
172.10533	0.4
177.12796	0.5
179.05540	0.9
179.14342	1.1
181.12280	1.2
183.13794	0.6
184.14275	0.3
191.14270	0.4
191.72784	0.3
193.12158	0.6
193.15944	0.6
194.67908	0.3
195.13843	8.4
195.15533	0.5
196.14519	0.8
197.11769	15.2
198.12091	0.9
199.13326	0.8
205.12279	0.8
205.15961	0.6
207.10175	0.4
209.11809	1.4
211.13303	4.1
217.15881	0.4
223.13345	6.3
224.13744	0.4
225.14876	0.6
227.12891	1.8
228.13625	0.5
231.21149	0.5
235.08203	2.3
235.17039	1.0
247.20633	2.0
251.16489	0.6
253.09248	26.8
254.09673	1.2
256.13159	1.2
263.20078	1.0
265.10461	1.0
265.18039	0.4
265.21729	0.6
272.48630	0.3
273.18558	1.4
275.20154	9.2
276.20456	0.6
277.21793	0.8
291.19659	28.3
292.20056	2.8
293.21216	100.0
294.21555	6.1
309.20697	63.4
310.21024	4.4
342.31842	0.3
398.13153	0.3
527.28467	0.5
529.30023	0.9
545.29797	1.6
585.41492	2.9
712.61377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.6
59.01252	9.0
71.01247	6.8
71.34717	0.8
73.02805	1.6
83.01301	0.6
85.02815	1.5
87.00714	1.0
89.02319	3.6
91.03962	0.6
95.04893	1.3
96.95863	0.5
97.06506	0.6
98.19913	0.5
99.00737	0.6
101.02325	4.9
109.06498	0.5
111.08034	10.0
113.02280	2.6
119.03343	0.6
137.09618	1.0
139.11162	0.6
141.09192	0.5
143.03371	1.0
145.04935	0.5
149.09648	1.1
161.04420	2.4
165.12743	0.6
167.10687	2.3
171.10240	1.0
177.12749	1.6
179.10672	1.6
179.14314	1.1
181.12250	0.6
184.33313	0.5
185.11728	1.3
195.12047	0.9
195.13831	13.9
196.14424	0.9
197.11833	1.1
205.15811	0.8
209.11871	0.9
223.13345	6.5
224.13763	0.9
228.13513	0.8
235.08186	2.9
247.20705	2.5
253.09244	18.6
253.11887	1.1
254.09737	0.9
255.23285	1.5
256.13177	1.4
273.18613	1.1
275.20148	8.3
276.20483	1.1
277.21735	4.2
291.19647	100.0
292.19940	8.7
293.21204	91.2
294.21521	6.9
307.19162	0.8
309.20657	1.6
325.20245	2.1
456.48761	0.7
474.33951	0.5
527.28357	1.2
565.79938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.8
58.00455	0.7
59.01249	7.1
59.67646	0.3
60.59595	0.3
61.98699	1.4
64.07267	0.3
69.03336	0.7
70.85254	0.3
71.01250	6.1
73.02829	1.1
83.01256	1.0
83.04905	0.4
85.02827	1.3
87.00766	1.1
87.68850	0.4
89.02318	4.7
93.06969	0.4
95.01269	0.5
95.04894	0.6
96.95905	1.0
97.06469	0.5
101.02316	5.1
109.06482	0.6
111.08030	8.6
113.02325	2.8
113.09615	0.3
119.03394	1.5
127.07524	0.5
131.03453	0.4
143.03392	0.6
151.11157	0.8
153.12807	0.8
161.04486	2.2
163.11176	0.4
167.10674	0.6
169.12230	3.3
171.10216	1.4
179.05492	1.1
179.10716	0.7
179.14351	0.8
181.12274	1.1
183.13785	0.8
193.12282	0.6
195.13852	7.8
196.14357	1.0
197.11755	41.2
198.12123	2.5
199.13367	2.9
205.12251	0.8
205.15938	0.4
211.13321	7.1
212.13844	0.4
223.13330	5.2
227.12920	0.8
228.13496	0.6
231.21176	0.4
235.08261	2.6
239.12871	0.4
253.09261	32.5
254.09596	1.5
256.13187	0.9
263.20084	3.2
265.18051	1.0
265.21436	0.4
273.18683	0.9
275.20160	6.3
276.20532	0.4
280.34473	0.3
291.19662	15.6
292.19916	2.4
293.21216	100.0
294.21561	8.6
309.20700	64.8
310.21057	6.5
433.20621	0.5
492.21649	0.6
517.88788	0.4
527.28723	0.6
529.30133	0.6
530.30658	0.4
545.29755	1.5
562.90997	0.4
585.41919	2.6
596.51190	0.4
839.31244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	10.9
61.98377	5.4
61.98700	100.0
64.99292	5.1
69.59949	34.2
70.98479	5.3
71.01254	5.3
78.95776	6.8
96.95876	16.6
96.96459	5.1
101.02322	6.0
114.60022	4.7
132.61852	4.8
142.46188	4.8
144.84293	5.3
183.13751	4.6
197.11694	6.5
207.10185	5.9
209.11763	54.9
211.13329	16.5
227.12823	14.5
253.09232	8.6
277.21851	5.4
289.18054	15.3
294.44363	5.6
305.17752	7.4
307.19098	18.7
821.41046	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	821.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
59.01249	2.1
61.98690	1.4
63.02262	1.6
64.99932	0.2
65.00217	1.1
69.03355	0.2
71.01254	1.5
72.99180	0.3
73.02836	0.6
75.00783	0.5
83.01275	0.9
85.02816	1.2
87.00760	0.7
89.02309	1.1
93.03356	0.9
96.95885	3.0
97.02808	0.4
98.19754	0.5
99.00764	0.3
99.16144	0.2
101.02338	0.8
102.58693	0.2
103.25424	0.2
105.03344	0.5
107.01277	1.7
108.02044	1.4
109.02835	1.2
113.02341	0.7
114.46529	0.2
115.00230	0.4
119.04951	0.7
121.02850	1.0
122.03632	0.6
123.00835	0.4
123.04417	0.5
124.01556	0.4
125.02332	0.8
132.02071	0.4
133.02847	5.6
134.03622	0.9
135.04457	1.0
136.01645	0.3
137.02403	1.2
141.04086	0.4
145.02872	0.4
147.04398	0.5
149.02342	3.0
150.03131	1.9
151.00238	3.7
151.03886	0.9
152.01015	0.7
153.01846	0.7
159.04425	0.3
160.01530	0.7
161.02319	0.9
163.03862	0.8
164.04715	0.6
165.01810	0.3
165.05490	1.5
167.03386	0.4
169.01437	0.3
171.04367	0.4
173.04512	0.4
174.01617	0.3
174.03090	0.3
175.00308	0.4
175.02472	0.5
175.03903	2.8
177.01776	0.6
179.03423	0.3
179.05571	0.3
179.07050	0.4
181.05142	0.3
185.06004	0.5
187.03979	0.4
189.05455	0.3
190.02580	0.4
191.03476	0.4
191.05540	0.9
193.05006	0.9
194.05640	0.3
195.06546	0.8
198.03099	0.3
199.03911	2.1
201.01932	0.5
205.04977	0.4
209.11844	0.4
211.03972	0.6
212.04637	0.3
213.05435	0.4
217.04974	0.8
223.06023	0.7
227.03439	0.4
229.05061	0.3
239.03419	0.5
240.04294	0.3
241.05031	0.8
243.02855	0.5
255.02945	3.7
256.03873	1.2
257.04425	0.7
269.04541	0.3
283.02460	1.5
284.03250	22.7
285.04010	100.0
286.04373	5.8
297.03848	0.6
299.05521	3.1
313.03522	3.6
314.03818	0.5
327.04968	0.5
337.07526	0.3
359.14957	0.4
383.12515	0.3
447.09232	0.5
624.14941	3.1
625.15015	0.7
679.16125	1.2
773.20337	0.8
779.20575	0.3
803.21918	3.3
804.21588	0.5
821.22626	14.5
822.23010	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	819.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
59.01251	7.1
61.98699	1.9
69.03331	1.2
71.01256	6.2
71.04897	1.2
72.99182	0.8
73.02817	1.0
78.95776	1.3
80.96404	0.9
81.03319	0.7
83.01256	0.9
83.04916	1.5
85.02822	1.8
85.06458	0.7
87.00755	1.8
89.02321	3.6
94.92363	0.5
94.97993	0.7
95.01254	0.7
95.04897	0.9
97.02836	1.6
97.06471	1.5
98.18514	0.4
101.02317	4.6
109.02869	0.5
109.06488	1.1
111.08047	10.1
113.02344	2.8
113.09628	0.7
119.03370	1.1
123.08063	0.9
125.09578	1.0
127.07539	1.8
131.03453	0.6
137.09627	1.2
141.09099	0.5
141.12808	0.4
151.11179	1.5
161.04501	2.5
163.11165	1.3
165.12750	1.9
167.10716	2.3
169.12265	1.8
171.10170	1.6
177.09363	0.4
177.12782	2.9
179.05472	1.0
179.10728	2.0
179.14349	0.7
181.12260	1.4
183.13866	0.8
193.12248	0.8
195.13860	6.9
197.11781	20.4
198.12106	0.6
199.13344	1.2
205.12180	0.7
209.11781	2.7
211.13379	4.3
219.17334	0.4
223.13348	2.6
227.12819	1.2
233.15469	1.3
235.08200	4.3
245.19133	2.4
247.20688	3.1
251.16499	0.7
253.09261	18.2
256.13162	0.7
263.20218	2.7
265.18008	0.7
271.17001	0.8
273.18680	2.2
275.20126	2.0
277.21698	1.3
289.18118	11.0
290.18430	1.0
291.19669	100.0
292.19998	6.0
293.21246	28.8
294.21616	1.6
307.19162	23.8
308.19543	1.2
309.20712	44.7
310.21042	2.5
525.27148	1.2
527.28595	5.9
529.30273	0.7
543.28156	5.4
545.29980	1.4
583.40082	0.6
764.44000	0.5
790.90900	0.5
819.50037	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	819.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01243	4.1
61.98696	5.7
69.03317	0.5
71.01244	4.3
71.04884	1.6
72.99174	0.4
73.02819	0.7
75.00734	0.6
78.33517	0.2
80.02563	0.5
80.96377	0.3
81.03325	0.8
82.95280	0.4
83.01244	0.5
83.04884	0.8
83.75948	0.2
85.02826	1.0
87.00751	0.6
89.02299	2.9
93.06155	0.3
95.01265	0.3
95.04879	0.8
97.02790	0.4
97.06452	0.3
98.03615	0.3
99.00710	0.2
101.02313	3.9
106.04115	0.5
107.04874	0.4
109.02878	0.3
109.06464	6.9
110.06799	0.2
111.04378	2.0
111.08015	1.3
112.05159	0.3
113.02327	1.8
119.03375	0.7
119.04875	0.2
119.08582	0.2
121.06483	0.5
121.10119	0.3
123.08025	1.2
125.09570	0.2
127.07530	0.9
133.04953	0.3
135.08020	0.4
137.09596	0.5
141.01782	0.3
141.09116	0.4
143.03352	0.2
143.10655	0.7
145.06471	1.6
149.05957	0.3
149.09583	1.0
151.11188	0.6
159.08133	0.2
161.04439	1.8
163.11153	0.3
167.10634	1.5
167.45964	0.2
169.12170	0.2
171.10199	0.6
177.09077	0.3
177.12753	0.7
179.05544	0.6
179.10695	0.9
179.14328	0.6
181.12274	0.5
187.11183	0.2
191.14336	0.5
193.12311	0.2
195.13821	8.7
196.14310	0.4
205.12263	0.6
205.15939	0.6
209.11699	0.3
211.13324	0.9
215.14325	0.3
217.15952	0.2
223.13322	4.7
225.14940	0.6
228.13658	0.4
231.21085	0.3
233.84248	0.2
235.08095	2.6
235.13297	0.8
245.19060	4.2
249.14825	0.3
251.16478	0.7
253.09236	15.1
254.09593	0.5
256.13171	0.7
271.17065	1.2
273.14883	0.3
275.20126	4.9
276.20459	0.3
277.21799	0.3
287.16483	1.5
289.18057	100.0
290.18408	6.8
290.21588	0.4
291.19647	1.0
293.21182	82.0
294.21524	5.6
301.89835	0.2
307.19147	4.7
309.20724	0.6
467.23874	0.2
492.22073	0.5
507.25912	0.3
525.26935	3.5
526.27545	0.3
529.30225	0.4
555.13489	0.2
565.38629	0.5
801.48419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.0
58.00479	0.3
59.01248	8.4
61.98699	33.6
62.98382	0.4
63.99129	0.3
67.94228	0.4
69.03324	0.9
69.28191	0.7
69.28585	3.5
69.51940	0.3
71.01245	7.5
72.99155	0.3
73.02797	1.2
78.95765	0.7
80.02538	0.7
81.03322	1.6
83.01250	1.7
83.04891	1.1
83.33803	0.3
84.29494	0.3
85.02821	2.0
85.80621	0.3
87.00752	1.2
89.02310	4.8
93.03288	0.4
95.01262	0.9
95.04900	1.5
97.02814	1.5
97.06470	4.0
99.00748	0.5
99.04407	0.5
101.02316	6.2
109.02810	0.4
109.06433	0.9
111.00796	0.5
111.04375	0.5
111.08025	1.2
113.02316	3.1
113.09580	0.4
116.83826	0.3
119.03385	1.2
119.04893	0.4
119.08525	0.7
121.06473	0.8
121.10080	0.6
123.04398	1.8
123.08073	0.6
125.02367	0.5
125.09608	5.0
135.08028	0.6
137.09618	2.9
141.12741	0.9
143.03378	0.6
145.04950	0.8
149.05977	0.5
161.04483	2.4
161.09618	0.8
162.10342	0.4
163.07544	0.6
163.11197	5.5
165.12732	1.6
167.10648	1.1
171.10205	2.8
175.11189	0.5
176.19868	0.4
177.12733	0.9
179.05527	1.3
179.14299	1.0
181.12256	1.1
185.11751	5.3
187.09715	0.4
191.10718	0.7
191.14336	7.3
193.12224	0.8
195.13831	7.0
196.14554	0.5
197.11755	2.0
205.12233	0.9
207.10191	2.9
209.11751	14.4
210.12065	0.6
211.13364	2.7
217.15900	0.7
219.10147	0.4
223.13316	6.8
224.13908	0.5
225.11281	2.3
227.12814	0.6
231.21278	0.5
235.08179	3.5
237.11273	5.9
238.11572	0.4
239.12759	0.4
243.17450	0.5
245.19069	13.7
246.19383	0.8
247.17026	0.6
253.09239	25.3
254.09528	0.5
256.13080	1.5
261.18539	0.3
263.20135	4.7
265.21753	0.5
271.17065	2.3
273.18588	0.5
275.20139	8.1
277.21710	2.1
281.21118	0.8
289.18076	76.0
290.18436	4.2
291.19635	9.0
292.19830	0.5
293.21201	100.0
294.21573	5.1
305.17505	0.7
307.19125	70.0
308.19446	5.0
309.20645	5.1
445.20877	0.7
525.26691	1.7
527.28534	1.3
543.28455	1.9
583.40387	0.6
801.48035	0.6
819.49933	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	819.49
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.0
59.01239	9.1
69.03328	1.5
71.01250	7.2
71.04885	1.7
72.44956	0.7
73.02805	2.1
78.91766	0.6
80.02480	0.6
81.03308	0.9
83.04895	1.4
85.02840	0.9
87.00757	2.2
89.02332	4.2
95.04908	2.0
97.06465	6.4
101.02312	6.5
109.02821	1.1
109.06466	1.0
111.00714	0.8
111.08024	3.3
113.02330	4.3
119.03398	1.3
123.04439	0.8
125.05941	0.8
125.09596	1.3
135.08109	0.9
137.06053	0.8
143.03358	0.9
145.04958	1.0
149.09593	0.9
151.03831	0.8
151.11218	4.4
156.09807	0.7
161.04436	3.3
163.11098	1.7
165.12752	6.5
167.10670	1.0
169.12138	0.9
171.10187	4.8
177.12714	1.2
179.05511	1.3
179.10657	2.2
179.14285	1.0
181.12245	4.5
183.13837	1.8
191.10741	2.3
191.14273	1.6
195.13843	7.0
196.14117	0.7
197.11734	1.8
197.62505	0.9
199.13350	0.8
205.12213	2.4
207.10228	1.0
209.11737	17.1
211.13321	3.7
221.63208	0.8
223.13335	8.2
227.12801	7.1
228.13368	1.3
235.08167	4.0
239.09218	1.1
245.19099	6.8
253.09224	18.6
256.13095	1.3
263.20132	11.4
267.23471	1.5
271.16858	1.1
275.20081	5.7
277.18915	1.3
277.21710	17.8
278.22043	1.0
279.19730	1.5
287.16602	4.3
289.18069	16.3
290.18408	1.6
291.19608	10.1
292.20010	1.8
293.21204	100.0
294.21500	6.9
305.17520	4.0
307.19116	43.0
308.19427	2.5
309.20807	1.2
318.87503	0.9
323.18686	5.3
418.72226	0.8
445.20749	6.7
525.26953	2.2
543.28284	6.8
692.29749	0.8
721.41486	2.5
750.41693	1.1
801.47760	1.6
819.49054	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	819.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.8
58.00442	0.9
59.01250	18.2
60.01556	0.4
61.98698	1.0
69.03313	1.3
69.26768	0.6
69.27168	3.4
71.01253	17.4
72.99179	1.7
73.02815	2.5
75.00745	0.4
80.02542	1.4
81.03322	2.2
82.36886	0.4
83.01267	2.2
83.04886	6.0
84.02035	1.3
85.02823	4.3
87.00745	4.3
87.04426	0.4
89.02313	15.2
92.14629	0.4
93.03297	0.7
94.58182	0.4
95.01246	1.2
95.04897	1.3
96.95892	3.9
97.02821	2.8
97.06461	0.5
98.19814	0.7
99.00735	1.5
101.02319	12.5
101.02992	0.6
109.02802	0.6
109.06461	0.8
111.00774	0.6
113.02322	6.8
118.96523	0.4
119.03387	3.5
121.02840	0.5
123.00825	0.5
125.02326	5.9
125.05979	0.6
125.09669	0.4
131.03375	0.7
134.03603	0.5
135.08069	1.0
137.02330	0.9
139.03856	0.4
141.01782	0.6
143.03424	1.9
147.11636	0.4
149.02341	0.6
151.03867	0.4
151.72714	0.4
152.01141	0.4
155.10658	0.4
161.04445	3.9
163.03868	0.4
163.11168	4.7
165.12753	2.8
167.03403	0.6
167.10628	0.5
167.14313	0.8
171.10240	2.0
175.03940	0.6
176.96410	0.3
179.05542	4.1
179.06984	0.7
181.12271	0.9
183.13826	6.4
184.13963	0.4
187.21895	0.4
188.65799	0.4
191.05284	0.4
191.10648	1.1
193.12247	1.8
194.05864	0.4
197.11676	0.4
199.05858	0.4
199.13348	0.7
204.27968	0.4
207.10167	0.7
209.11760	100.0
210.12131	4.5
211.13324	87.4
212.13652	3.7
214.22240	0.4
217.07208	0.6
221.06567	1.6
224.28535	0.4
225.11269	0.9
226.11703	0.4
227.12823	15.5
235.08191	5.4
236.08818	0.4
249.14882	1.1
251.12894	0.5
253.09198	1.0
282.64398	0.4
287.07675	1.6
300.52179	0.4
305.08737	2.2
322.61694	0.4
323.09869	1.0
331.06784	0.4
379.12451	5.9
383.62628	0.4
397.13461	38.3
398.13815	2.3
415.14536	9.5
416.14798	0.6
589.25073	0.5
591.26813	1.7
607.26111	2.0
609.27679	2.9
610.27850	0.6
783.37677	1.0
801.38849	1.2
819.40485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.2
58.00466	0.3
59.01250	3.7
61.98690	0.9
63.02276	0.7
65.00194	0.9
65.03824	0.3
69.03329	0.4
71.00321	0.2
71.01247	3.1
72.99165	0.3
73.67153	0.2
75.00735	0.4
81.03313	0.3
83.01255	0.8
83.04887	0.7
85.02818	1.1
87.00742	0.7
88.98682	0.6
89.02306	2.3
91.61509	0.2
93.03319	0.7
95.01249	0.7
96.95875	3.1
97.02815	0.5
98.20667	0.5
99.00750	0.5
101.02317	1.8
107.01273	1.4
108.02045	0.4
109.02855	1.3
113.02338	1.7
115.00277	0.2
119.03357	0.5
119.04871	0.2
119.74091	0.2
121.02839	0.7
123.00763	0.2
124.01490	0.3
125.02325	1.0
132.02109	0.3
133.02827	3.7
134.03589	0.8
135.00751	0.4
135.04361	0.6
135.17406	0.3
136.07532	0.2
137.02332	1.1
141.04091	0.9
145.02835	0.4
147.04445	0.3
149.02332	2.0
150.03099	0.4
151.00279	2.8
151.03917	0.3
152.01028	0.7
153.01839	1.8
160.01534	0.6
161.02390	0.4
161.04433	0.6
163.03905	0.6
163.11156	0.7
164.04680	0.5
165.05481	0.3
165.12747	0.5
175.02412	0.4
175.03883	2.4
177.01801	0.4
179.05499	0.3
181.04907	0.4
183.13832	1.2
185.06047	0.4
190.02654	0.5
191.05493	0.3
193.05016	1.0
195.06523	0.4
199.03889	1.5
201.01807	0.6
205.05130	0.5
209.11766	9.6
210.12172	0.4
211.03970	0.3
211.13333	8.2
213.05515	0.5
217.04982	0.8
223.06088	0.7
227.03584	0.3
227.12878	1.4
229.82965	0.3
230.19778	0.2
233.08191	0.3
235.08163	0.5
241.04994	0.7
243.02930	0.8
249.06003	0.3
255.03008	0.6
256.03625	0.6
257.04514	0.6
267.03091	0.4
267.07034	0.5
269.04477	0.5
271.02463	0.3
283.02658	0.3
284.03250	12.1
285.04022	100.0
286.04401	6.7
288.39197	0.3
300.02411	0.3
301.03513	0.5
306.07675	0.3
323.10031	0.3
327.05026	0.8
369.09329	0.3
379.12341	0.4
397.13470	3.6
415.14325	0.9
429.07657	0.3
447.09290	2.5
469.86389	0.3
551.08344	0.3
609.26892	0.3
639.20709	3.8
640.20776	0.8
657.21838	34.4
658.22180	5.6
699.22791	0.8
783.38843	0.4
819.28101	2.1
820.28149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01581	0.6
61.98701	29.8
67.69398	0.5
69.02656	0.5
69.03339	1.1
71.01251	3.2
71.34854	1.0
73.02822	0.5
78.95815	0.6
79.62165	0.4
84.99039	0.5
85.02866	0.6
87.00755	0.6
89.02300	2.4
93.67307	0.5
95.01283	0.6
96.99203	2.0
97.02841	1.9
99.00793	0.5
101.02316	2.4
103.91937	0.6
113.02338	1.5
119.03410	1.1
125.02362	0.9
141.01596	68.8
142.01929	1.8
142.04938	0.7
161.04454	0.5
179.05551	0.6
192.49686	0.5
197.11836	2.4
207.10277	1.1
209.11763	1.6
211.13347	1.5
225.11211	0.9
235.08138	1.5
243.04871	0.6
253.09337	0.6
277.21710	6.1
278.21988	0.6
291.19684	0.6
293.21329	0.9
302.31229	0.4
309.20804	1.0
359.22049	5.8
397.13470	15.0
398.13977	1.3
415.14572	4.0
419.11813	3.4
419.28104	0.7
437.12686	5.5
438.13284	0.6
469.06326	1.5
675.35626	1.0
697.34308	3.0
750.42651	0.5
783.05060	0.5
817.38696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01583	1.0
61.98701	9.8
68.83109	0.3
69.03337	0.5
71.01247	3.4
72.99156	0.3
73.02822	0.6
85.02809	0.8
89.02318	2.9
91.41854	0.3
96.44831	0.3
96.95812	0.4
96.99199	0.4
97.02805	0.5
101.02313	2.4
105.39249	0.3
111.04419	0.3
113.02326	1.3
119.03362	0.7
125.02319	1.0
141.01590	58.4
142.01935	1.2
153.01608	0.4
159.73706	0.3
161.04448	0.8
163.11211	0.4
165.01608	0.4
171.10228	0.3
171.94524	0.3
197.11743	3.0
207.10210	0.7
209.11781	1.2
211.13327	1.4
225.11337	0.6
235.08197	1.4
243.04825	0.7
253.09253	0.5
277.21710	6.3
278.22162	0.4
283.28110	0.3
291.19473	0.5
309.20651	1.0
359.22025	5.8
360.22278	0.5
364.21225	0.3
397.13461	13.8
398.13837	1.1
415.14746	2.8
419.11569	2.4
437.12637	4.9
438.13263	0.4
469.06277	0.8
675.35962	0.9
697.34235	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.8
59.01250	100.0
61.98378	1.4
61.98702	25.5
69.78037	5.2
71.01255	4.7
75.00784	1.3
78.95794	1.0
85.02824	1.0
87.00735	1.0
89.02318	3.5
93.49802	0.9
96.95901	1.4
97.02827	1.3
98.20521	1.5
99.00746	1.5
101.02354	3.7
109.06424	0.7
113.02321	2.3
116.92736	4.2
125.02331	1.6
134.07591	0.9
141.01590	54.6
163.11214	1.2
169.12340	1.2
171.10187	1.7
197.11740	7.4
207.10197	2.7
209.11795	2.7
211.13309	4.6
225.11256	1.3
235.08118	1.5
235.17351	0.8
253.09311	2.1
277.21909	5.4
291.19702	3.0
293.20932	1.2
309.20615	4.0
359.21982	4.1
372.85196	0.8
388.65411	1.0
390.51044	0.9
397.13544	12.5
398.14151	1.2
415.14328	2.5
419.11819	2.6
437.12726	2.8
780.12817	0.9
799.37531	1.3
802.95667	0.9
817.39014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.2
59.00977	1.2
59.01248	10.4
61.98696	2.4
67.14052	0.8
69.03325	2.9
71.01254	8.2
72.99166	1.1
73.02822	2.1
75.00734	1.3
81.03304	1.4
83.01245	2.5
83.58250	0.8
84.88969	0.7
85.02811	4.9
87.00743	3.4
88.98677	2.6
89.02316	2.7
93.03319	3.1
95.01272	2.1
96.90263	0.8
96.95876	4.7
97.02827	3.1
98.19753	1.6
99.00727	1.6
101.02320	3.7
108.02054	3.4
109.02842	5.3
111.04412	1.7
113.02331	5.5
115.00210	1.2
119.03366	0.9
119.04887	2.0
119.52856	0.8
121.02827	2.6
123.00751	5.3
123.04360	1.5
124.01552	11.5
125.02335	51.5
126.02680	1.8
129.01833	0.9
133.02872	1.1
134.03644	4.3
135.00763	1.3
135.04425	5.1
136.01498	1.2
137.02324	5.4
137.09715	0.8
141.04059	2.8
145.02844	1.0
147.04329	0.9
148.29956	0.9
149.02353	6.1
149.05988	1.1
149.99484	22.1
150.03079	3.1
151.00215	3.4
151.03870	2.7
152.01001	3.5
153.01831	6.9
154.01318	2.1
160.01575	3.4
161.02315	2.1
163.03886	2.2
164.04660	3.5
165.01790	2.8
165.05438	2.3
166.02609	1.1
167.03453	4.1
168.00552	52.8
169.01286	6.2
173.04433	1.2
175.00298	2.1
175.03899	3.0
177.01828	1.2
177.05508	0.9
179.03419	1.5
179.07054	1.8
180.04140	1.6
181.05005	1.7
182.48593	0.8
190.02591	6.0
191.03328	1.4
191.05487	2.8
192.00566	1.2
193.01331	1.4
193.04997	4.2
195.06494	3.1
205.05011	3.8
208.03647	1.9
209.11792	1.9
211.13219	0.9
223.06065	7.1
223.13509	0.8
225.07594	1.3
225.11505	0.8
229.26186	1.0
249.06119	0.9
267.07257	1.1
269.04434	1.1
284.03064	1.0
285.03940	4.7
303.09619	0.9
304.07886	1.8
308.09052	1.0
313.05609	9.5
331.06683	100.0
332.06888	6.2
339.12207	0.9
352.07962	1.0
367.10614	1.1
399.05621	19.8
400.05972	1.6
401.49438	0.8
591.24921	1.4
636.39948	0.8
646.83154	0.8
799.37085	1.9
817.30902	24.2
818.31976	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	817.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
58.02843	0.4
59.01246	6.0
61.98690	0.9
68.14504	0.5
69.03307	0.9
71.01251	6.7
71.58684	0.6
72.00781	0.5
73.02803	1.7
74.39252	0.4
75.00732	0.8
78.95811	0.4
81.00804	0.7
81.03345	0.4
83.01253	1.9
83.02432	0.4
85.02811	4.2
87.00731	1.2
88.98663	0.7
89.02310	2.3
91.01723	0.4
93.03326	1.6
95.01253	0.8
96.27609	0.5
96.95883	2.3
97.00287	1.5
97.02822	0.8
98.01087	1.0
99.00771	1.2
99.01870	12.7
101.02316	3.7
107.01270	0.6
108.02020	2.0
109.02844	2.1
110.03462	0.7
111.00761	1.1
111.01884	2.6
111.04411	0.6
113.02324	3.9
117.03355	3.4
119.03384	0.8
119.04929	0.9
121.02861	1.3
123.00748	0.9
123.04406	0.8
124.01510	2.0
125.02322	6.8
126.03014	0.6
131.01230	0.6
132.02090	1.3
133.02876	1.4
134.03627	12.6
135.00766	0.9
135.04483	2.2
136.01537	0.6
137.02354	4.0
139.00284	4.0
139.01285	0.8
139.02507	1.8
139.03886	0.9
140.03294	9.4
141.04071	100.0
142.02568	0.5
142.04420	1.4
149.02350	2.5
149.05949	2.4
149.99461	1.7
150.03082	0.9
151.00255	1.9
151.03894	1.2
152.01042	1.8
153.01845	4.7
153.04121	0.5
153.81012	0.5
154.01414	0.6
154.02596	4.7
156.45151	0.4
159.02950	0.5
160.01573	7.6
161.02280	0.9
161.04495	3.0
161.05760	0.5
163.03914	0.8
164.03397	0.6
164.04643	1.5
165.01837	1.1
165.04102	1.0
165.05479	1.5
166.02553	1.1
167.02023	1.1
167.03392	1.0
168.00537	5.2
168.04129	0.6
169.01277	0.8
169.05002	4.8
173.02409	1.0
175.00291	3.1
175.02501	0.5
175.03894	9.4
176.04240	0.7
177.01871	0.9
177.39862	0.5
178.02641	1.8
179.03342	1.0
181.04990	1.3
190.02621	1.8
191.03319	0.8
191.05574	0.8
193.01239	0.6
193.04976	15.1
193.06731	0.9
193.08859	0.7
194.05405	1.0
195.06586	1.3
205.04971	2.5
208.02310	3.4
209.03105	1.9
209.11772	0.9
223.06050	2.5
238.17505	0.4
243.06488	0.5
249.05923	0.5
267.07257	1.0
270.05365	1.1
271.05688	1.0
284.03226	1.6
285.04031	6.5
285.07919	1.4
293.04526	19.2
294.04898	1.2
303.09442	53.9
304.09894	2.0
313.05652	0.7
315.07312	0.6
327.09064	0.6
331.06766	10.1
331.10382	1.9
332.07227	0.5
367.09897	0.5
371.08395	23.8
372.08545	1.5
399.04904	0.9
399.09723	2.7
403.14035	0.5
413.08749	11.0
414.09323	0.7
445.15012	6.5
479.14087	2.9
485.23956	1.5
489.10352	0.9
513.13885	2.2
547.13501	0.9
613.22137	0.6
630.21716	0.5
641.19635	1.5
653.30035	0.5
655.20337	1.3
817.22290	0.6
817.33459	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71893	0.9
58.48079	0.8
59.01248	9.3
61.98704	4.6
67.21824	0.8
69.03333	1.2
69.42321	0.9
71.01238	4.4
71.57946	1.2
72.99176	1.6
75.00742	3.2
76.10574	0.8
78.95784	1.7
81.00006	0.9
83.33500	0.9
89.02310	3.2
99.07708	0.8
101.02328	3.1
113.02319	2.1
119.03403	1.2
125.65425	0.8
134.85341	0.9
157.08618	1.5
161.04430	1.4
165.12794	0.9
171.10182	2.9
179.05547	0.9
179.14352	1.0
183.13777	5.0
193.12263	1.5
195.13834	4.8
209.11752	1.1
211.13326	100.0
212.13579	4.3
216.24124	0.8
223.13287	3.0
235.08194	4.1
253.09259	12.8
256.13214	0.9
263.20007	1.6
275.20120	4.3
277.21683	2.9
278.21957	1.1
293.21210	66.4
294.21552	4.5
397.13544	1.7
447.22192	9.9
505.34003	1.0
529.30090	2.7
643.87720	1.1
723.42780	1.6
749.57983	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	3.4
60.62901	0.7
71.01257	2.5
71.06027	1.6
78.95762	1.0
80.02561	0.8
81.03323	1.1
83.04897	3.8
85.02844	0.8
88.98675	0.9
89.02325	2.3
101.02325	2.3
113.02305	1.7
126.57041	0.9
161.04494	1.3
163.11208	3.4
165.12793	1.4
191.10744	1.0
209.11765	100.0
210.12044	4.1
215.92740	0.7
227.12830	12.4
235.08173	3.4
241.01082	1.3
253.09209	8.3
277.21716	77.0
278.22113	6.9
445.20703	3.1
602.39984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.6
59.01250	24.8
63.02282	1.2
65.00191	1.8
65.03809	1.7
67.01736	1.4
68.99687	2.0
69.03307	2.3
71.01250	14.2
71.14403	2.5
72.77754	1.0
72.99175	2.9
73.02808	1.9
75.00739	6.3
75.01147	1.1
78.95790	1.3
81.03362	0.9
83.01248	2.7
83.04884	1.1
85.02821	12.2
87.00757	4.3
89.02309	4.6
91.01767	48.7
92.02116	2.1
93.03329	2.9
95.01259	5.6
96.95901	6.2
99.00748	5.1
101.02359	2.1
107.01248	2.3
107.04918	2.7
108.02054	44.7
109.02126	2.0
109.02840	33.9
110.03196	2.0
111.00832	1.4
113.02327	9.5
119.01266	1.4
119.04913	1.6
121.02837	5.0
122.02014	1.0
123.00775	3.8
123.04363	1.8
124.01569	1.4
125.02335	4.6
129.01828	1.4
132.02042	1.1
133.02849	10.2
134.03625	4.3
135.00780	100.0
135.04405	4.6
136.01147	2.1
137.02370	5.2
139.00316	1.2
145.02823	2.2
149.02335	10.8
149.05960	1.2
149.99533	1.2
150.03122	2.7
151.00282	5.6
151.03912	2.3
152.01060	58.1
153.01845	62.9
154.02292	2.2
160.01564	2.8
161.02362	6.4
161.09624	1.1
163.03920	3.4
164.04680	6.2
165.01855	2.5
165.05490	3.1
168.00566	2.1
173.04518	2.0
175.00320	8.8
175.03909	7.3
176.00980	1.4
176.04224	1.2
177.01868	3.6
177.05519	1.1
179.03398	2.4
179.07024	1.1
185.06020	1.1
187.03882	1.1
187.11258	1.4
189.01794	1.3
190.02666	21.2
191.03435	2.1
191.05533	2.5
193.05037	3.5
195.06502	1.7
199.03891	1.6
205.05009	24.0
207.10127	1.2
208.03636	1.3
209.08141	1.5
223.06114	7.0
223.13261	1.2
243.06552	8.0
249.06174	3.7
256.03790	2.1
267.07141	4.0
284.03244	18.0
285.04031	84.2
286.04300	7.6
297.06207	2.9
299.05618	13.3
300.02728	1.7
300.05966	1.8
315.07303	12.4
331.06464	2.0
339.07227	17.7
340.07666	2.2
352.07977	3.2
367.10306	34.8
368.10660	4.7
447.13168	28.9
448.13297	3.6
477.10483	2.0
499.18552	1.3
503.11783	2.0
505.17294	1.4
521.50989	1.1
539.79987	1.1
611.17645	2.8
639.23151	2.3
653.15131	30.7
654.15442	6.6
771.27917	3.4
815.26312	43.4
816.26776	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	815.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.6
59.01250	24.8
63.02282	1.2
65.00191	1.8
65.03809	1.7
67.01736	1.4
68.99687	2.0
69.03307	2.3
71.01250	14.2
71.14403	2.5
72.77754	1.0
72.99175	2.9
73.02808	1.9
75.00739	6.3
75.01147	1.1
78.95790	1.3
81.03362	0.9
83.01248	2.7
83.04884	1.1
85.02821	12.2
87.00757	4.3
89.02309	4.6
91.01767	48.7
92.02116	2.1
93.03329	2.9
95.01259	5.6
96.95901	6.2
99.00748	5.1
101.02359	2.1
107.01248	2.3
107.04918	2.7
108.02054	44.7
109.02126	2.0
109.02840	33.9
110.03196	2.0
111.00832	1.4
113.02327	9.5
119.01266	1.4
119.04913	1.6
121.02837	5.0
122.02014	1.0
123.00775	3.8
123.04363	1.8
124.01569	1.4
125.02335	4.6
129.01828	1.4
132.02042	1.1
133.02849	10.2
134.03625	4.3
135.00780	100.0
135.04405	4.6
136.01147	2.1
137.02370	5.2
139.00316	1.2
145.02823	2.2
149.02335	10.8
149.05960	1.2
149.99533	1.2
150.03122	2.7
151.00282	5.6
151.03912	2.3
152.01060	58.1
153.01845	62.9
154.02292	2.2
160.01564	2.8
161.02362	6.4
161.09624	1.1
163.03920	3.4
164.04680	6.2
165.01855	2.5
165.05490	3.1
168.00566	2.1
173.04518	2.0
175.00320	8.8
175.03909	7.3
176.00980	1.4
176.04224	1.2
177.01868	3.6
177.05519	1.1
179.03398	2.4
179.07024	1.1
185.06020	1.1
187.03882	1.1
187.11258	1.4
189.01794	1.3
190.02666	21.2
191.03435	2.1
191.05533	2.5
193.05037	3.5
195.06502	1.7
199.03891	1.6
205.05009	24.0
207.10127	1.2
208.03636	1.3
209.08141	1.5
223.06114	7.0
223.13261	1.2
243.06552	8.0
249.06174	3.7
256.03790	2.1
267.07141	4.0
284.03244	18.0
285.04031	84.2
286.04300	7.6
297.06207	2.9
299.05618	13.3
300.02728	1.7
300.05966	1.8
315.07303	12.4
331.06464	2.0
339.07227	17.7
340.07666	2.2
352.07977	3.2
367.10306	34.8
368.10660	4.7
447.13168	28.9
448.13297	3.6
477.10483	2.0
499.18552	1.3
503.11783	2.0
505.17294	1.4
521.50989	1.1
539.79987	1.1
611.17645	2.8
639.23151	2.3
653.15131	30.7
654.15442	6.6
771.27917	3.4
815.26312	43.4
816.26776	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	815.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.9
59.01249	20.5
59.42752	1.0
62.08417	1.0
65.00198	1.5
68.99692	1.4
69.03318	1.7
71.01244	12.8
71.37809	1.3
72.99172	1.6
73.02799	1.5
75.00752	4.5
76.73018	1.1
81.03314	1.5
83.01256	1.7
85.02821	10.8
87.00736	4.0
89.02311	3.7
91.01765	45.4
92.02125	1.2
93.03328	5.3
95.01243	2.7
96.95877	10.3
97.02821	1.8
99.00729	3.7
101.02325	3.8
107.01233	2.0
107.04906	1.7
108.02046	35.1
109.02132	1.7
109.02839	29.4
111.00763	1.4
113.02318	12.4
121.02834	4.3
123.00729	3.5
123.04394	2.7
124.01505	2.0
125.02316	4.7
132.02078	1.8
133.02852	6.5
134.03629	5.2
135.00768	100.0
135.04398	5.0
136.01154	3.3
137.02330	9.3
139.00227	1.9
140.53204	1.2
141.59833	1.1
145.02818	1.4
149.02315	9.6
149.99524	1.4
150.03104	3.8
151.00233	4.4
151.03883	3.1
152.01044	48.5
153.01831	65.7
154.02214	2.1
160.01569	2.9
161.02341	5.3
161.13266	1.2
163.03889	3.2
163.11255	1.3
164.04680	7.2
165.01852	2.9
165.05501	2.8
167.03333	1.4
168.00566	1.9
175.00233	9.6
175.02531	1.3
175.03828	5.8
177.01831	2.9
178.02490	1.6
179.03401	2.6
179.06987	1.9
181.05042	1.4
187.11230	2.3
189.01837	1.4
189.22867	1.1
190.02618	20.7
191.03346	1.9
191.05489	3.3
193.04974	4.4
195.06631	1.7
197.04330	1.2
199.03899	1.5
205.05006	26.9
205.12206	2.0
206.05292	1.6
209.08220	1.4
217.69278	1.0
220.22203	1.3
223.06068	10.3
225.05658	1.6
243.06580	10.8
244.06940	1.4
247.06021	1.3
249.06190	2.5
267.07117	4.9
269.04391	1.7
279.05045	2.1
284.03214	9.9
285.04019	54.7
286.04349	5.1
297.06122	3.0
299.05466	8.1
310.72476	1.5
315.07401	12.3
331.06543	2.8
337.05539	1.7
339.07150	24.6
340.07626	1.9
352.08026	2.9
367.10284	46.0
368.10596	3.9
447.13181	36.1
448.13248	4.2
458.93320	1.1
465.12354	1.3
503.12067	2.5
586.17175	1.2
593.25897	1.5
611.17395	4.2
639.23645	1.6
653.15009	21.3
654.15662	4.3
771.27228	3.1
797.24768	1.2
815.26184	41.0
816.26270	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	815.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	4.3
59.01247	46.9
61.98697	2.6
65.00177	1.4
67.01755	2.0
68.99668	1.9
69.03318	4.4
69.39118	4.2
69.39540	10.2
71.01256	25.6
72.99187	7.2
73.02818	4.2
73.61811	1.6
75.00748	10.4
83.01240	5.4
83.04881	2.0
85.02824	21.3
87.00745	8.7
89.02327	10.8
93.03341	7.7
95.01267	5.3
96.95879	12.5
97.02847	2.4
99.00734	8.6
99.04406	2.3
101.02322	8.2
107.01236	1.5
107.04893	2.1
108.02052	67.7
109.02843	29.1
111.00744	2.3
113.02322	18.1
115.00273	2.6
117.01829	2.8
117.03289	1.7
119.03339	1.7
119.04922	3.7
121.02820	4.6
123.00726	3.1
123.04436	2.8
124.01521	3.6
125.02315	12.4
129.01788	1.5
133.02846	5.5
133.04953	4.1
134.03619	4.8
135.00775	5.4
135.04424	7.7
137.02362	7.9
139.00226	2.2
145.02856	4.8
146.03699	2.3
149.02316	7.0
149.06024	1.5
149.99455	4.9
150.03101	3.2
151.00252	7.0
151.03882	6.0
152.01051	100.0
153.01843	45.3
153.09009	2.1
160.01555	5.5
161.02324	4.8
161.04460	2.6
163.03882	5.0
164.04620	3.1
165.01935	2.0
165.05446	5.2
167.03387	3.3
168.00562	11.6
169.01295	2.8
175.00201	2.5
175.02515	2.3
175.03926	6.0
177.01839	3.6
178.02498	2.3
179.03435	2.2
179.05487	1.6
187.11189	3.7
189.09012	1.9
190.02666	5.1
191.03325	1.6
191.05431	3.3
193.05013	2.8
195.06516	2.1
205.04948	5.5
205.06912	1.8
205.12241	3.2
223.06052	4.1
249.06082	4.4
267.07224	6.2
268.04175	1.6
270.05331	2.3
271.02588	1.9
283.02472	1.7
284.03210	10.5
285.04028	59.6
286.04300	3.5
297.06247	3.4
299.05389	9.5
300.02679	2.3
313.05457	2.2
315.07217	27.0
316.07407	1.7
331.06671	14.9
338.19412	1.5
367.10260	3.0
383.05981	1.7
386.85416	1.6
399.05695	3.0
477.18973	2.6
499.18103	3.4
503.18945	2.5
505.17242	3.6
519.20215	3.5
531.50885	1.5
565.19775	2.1
609.15228	3.2
639.23547	2.9
653.15039	17.0
654.15289	3.7
712.76245	1.7
771.27069	5.3
797.25391	3.0
815.26068	81.8
816.26123	17.0
824.43384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.9
59.01248	7.1
63.02277	1.1
65.00200	1.4
65.91228	0.4
67.01739	0.4
67.67221	0.3
69.03320	0.7
69.30717	3.6
71.01244	4.6
72.99176	0.8
73.02819	0.7
73.12389	0.3
73.50655	0.3
75.00751	2.0
81.03303	0.5
82.95271	0.3
83.01256	1.5
85.02319	0.5
85.02809	3.7
87.00754	1.5
89.02311	1.1
91.01772	5.2
93.03339	1.6
95.01265	2.3
96.95879	3.2
97.02837	1.0
98.59814	0.3
99.00766	1.3
101.02332	1.0
105.03357	0.8
107.01286	2.4
107.04887	0.7
108.02050	13.8
109.02837	8.4
113.02333	3.1
115.99666	0.4
117.01840	0.4
118.89092	0.3
119.04924	3.1
121.02855	1.9
123.00763	7.5
123.04493	0.4
124.01568	1.7
125.02332	4.5
129.01834	0.6
132.02072	0.7
133.01843	0.6
133.02840	7.2
134.03665	2.3
135.00769	11.2
135.04404	2.1
137.02354	1.7
139.03871	0.4
145.02858	1.1
147.00691	0.4
147.04510	0.5
149.02339	4.7
149.05962	0.7
149.99464	1.9
150.03104	0.8
151.00279	4.7
151.03877	0.8
152.01057	16.8
153.01840	11.3
160.01584	1.4
161.02397	2.6
161.04457	0.5
161.05994	0.4
161.09669	0.5
163.03909	2.3
163.07588	0.5
164.04686	1.6
164.05959	0.3
165.05516	1.1
167.03400	1.8
168.00525	3.3
169.01321	0.8
171.04387	0.5
175.00291	2.0
175.02444	0.8
175.03944	3.3
176.01059	1.2
176.04524	0.4
177.01810	1.0
178.02475	0.4
179.03383	0.9
185.06049	0.6
187.11153	0.7
190.02640	4.0
191.03416	1.4
191.05563	1.2
193.04979	1.6
195.02945	0.5
197.06104	0.5
199.03934	2.0
201.01826	0.5
205.04993	4.6
208.03618	0.5
209.08170	0.5
217.05058	1.2
223.06017	1.2
239.03487	0.5
241.05107	1.0
243.02962	0.5
243.06570	1.3
249.06090	0.9
255.03021	1.3
256.03671	1.7
257.04507	0.6
267.07236	0.9
269.04306	0.4
271.99905	0.4
283.02454	0.7
284.03256	21.0
285.04028	100.0
286.04404	6.8
297.06067	1.0
299.05600	19.8
300.05981	1.4
313.05692	2.0
315.07288	3.7
327.05020	1.0
331.06924	0.5
339.07294	2.4
353.08722	0.7
367.10275	4.5
416.75134	0.4
429.08191	1.0
447.13724	3.1
477.10391	1.3
562.66217	0.5
593.25977	0.8
608.55859	0.4
611.18182	0.6
653.15094	47.7
654.15601	8.5
680.84937	0.5
771.27197	1.1
797.26190	0.4
815.26361	12.0
816.26538	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	813.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	4.6
58.00461	1.7
59.01247	100.0
59.54819	1.1
60.99170	2.6
61.98693	2.9
65.98486	1.1
69.03308	4.5
71.01250	48.9
71.18884	2.4
72.99178	7.4
73.02816	14.7
75.00729	4.0
78.95786	1.4
81.03307	2.3
83.01254	8.0
85.02814	28.1
85.99979	2.3
87.00738	10.0
87.04363	1.3
88.98678	14.9
89.02306	17.2
91.67783	1.4
93.03316	4.7
95.01254	6.4
96.95300	1.7
96.95845	6.7
97.02833	8.1
99.00770	7.0
99.01828	2.6
101.02325	28.1
107.09332	1.1
108.02044	2.8
109.02831	2.1
111.00731	3.5
112.01564	2.5
113.02324	29.1
114.02676	1.8
115.00204	1.5
119.03371	4.5
119.04873	1.6
121.02845	2.3
121.46606	1.2
123.04448	1.6
124.01537	5.9
125.02341	19.1
129.01785	1.9
133.02783	1.5
134.03619	5.2
135.04413	2.0
136.01517	1.1
137.02298	5.9
139.00311	1.2
139.02515	1.2
140.03287	1.7
141.01767	1.4
141.04085	17.8
143.03375	6.8
145.02792	1.7
149.02325	4.6
150.03067	2.6
151.00262	2.0
151.03914	3.1
152.01001	4.1
153.01820	4.4
159.04272	1.2
160.01555	5.1
161.02287	1.6
161.04422	4.9
163.03931	2.2
164.04649	5.2
165.01804	1.7
165.05424	4.0
168.00563	1.9
175.00279	2.1
175.03902	5.9
179.05632	1.3
183.13734	1.3
185.15369	1.9
190.02632	6.2
191.03423	1.2
191.05437	2.0
193.04907	5.1
195.06575	3.4
200.27522	1.1
205.05032	6.1
223.06168	6.8
255.03000	1.5
256.03717	2.7
267.07211	5.1
268.07458	2.6
272.69110	1.3
284.03229	31.7
285.03864	5.1
299.05569	51.8
300.05899	4.7
303.09415	7.2
306.08170	1.3
315.25302	3.1
317.26947	4.1
371.08334	4.6
427.40994	1.3
441.17535	1.3
461.31122	11.2
477.30426	1.3
479.32254	10.8
501.75790	1.3
521.33356	2.1
557.33295	1.6
569.33215	3.3
587.34424	3.7
605.35272	28.8
606.36212	2.2
623.36450	61.7
624.36591	6.9
641.37335	15.6
642.37689	2.5
665.37463	19.1
666.37799	2.9
683.38556	34.8
684.38733	5.4
725.39130	3.3
813.36115	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	811.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.9
57.44550	0.7
59.01249	10.4
65.61028	0.7
69.03310	3.0
69.78724	0.7
70.02493	3.8
71.01251	5.0
73.02798	1.6
75.00749	1.0
83.01269	1.2
83.04903	1.1
85.02802	1.4
87.00746	1.1
89.02315	4.1
95.04858	0.9
96.95878	1.0
97.02817	1.8
97.06476	1.0
98.20534	1.0
99.00786	0.7
101.02325	5.2
108.16042	0.8
108.33849	0.8
109.06487	0.9
111.08032	4.3
113.02343	1.7
117.56037	0.7
119.03386	1.0
123.07990	0.8
125.02352	1.0
141.04373	0.7
143.03424	1.1
149.09602	0.8
151.69933	0.8
161.04504	1.8
165.12724	1.8
167.10657	2.8
169.12230	1.7
171.10138	2.2
177.12756	1.7
179.10739	1.5
179.14333	4.4
181.12251	0.9
195.13828	9.5
197.11749	19.3
198.11986	1.2
199.13292	1.1
205.12250	8.9
207.10280	1.0
209.11761	3.3
211.13329	2.8
223.13332	100.0
224.13670	5.4
225.11218	1.3
227.12859	1.7
235.08142	5.0
247.20625	1.4
253.09241	13.3
277.21927	1.1
291.19662	19.3
292.19833	1.4
309.20685	50.1
310.20953	3.9
433.21188	1.3
459.22192	14.6
460.22614	1.6
494.10205	0.9
545.29486	2.1
548.38806	0.8
569.07428	0.8
682.29077	1.0
751.42493	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	811.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.3
58.09608	1.6
59.01244	24.8
61.98689	4.7
69.03308	2.2
71.01241	7.8
71.04874	2.2
71.57604	2.0
81.03323	2.5
83.01245	2.1
83.04885	2.4
85.02793	3.1
87.00735	2.1
88.03909	2.5
89.02304	4.2
95.04884	1.6
96.95876	4.9
97.02816	10.9
97.06466	4.4
99.00745	13.0
101.02318	4.8
102.05469	4.5
109.06461	3.3
110.03635	1.5
113.02303	4.8
123.04382	4.4
123.07965	1.6
125.02316	3.5
125.09608	10.3
135.08009	2.1
137.09641	2.6
142.02571	1.6
149.06021	1.3
161.04457	2.2
163.11185	13.4
171.10193	3.4
179.10666	2.0
181.12257	21.0
185.11766	8.5
185.89101	1.5
191.14301	4.8
197.11765	2.0
199.13324	2.1
207.10187	58.7
209.11775	21.9
211.13292	6.6
223.13312	5.9
225.11256	100.0
226.11525	5.6
235.08112	4.9
243.12285	12.4
245.19125	7.7
253.09209	6.0
263.20093	2.0
271.17090	1.4
277.21634	3.4
285.80853	1.4
289.18082	41.4
291.19604	5.6
293.21237	2.2
307.19098	41.0
308.19522	3.4
309.20734	3.5
311.22214	4.9
391.24988	1.6
402.86224	1.3
417.22940	2.3
443.18811	4.1
461.20239	28.5
462.20517	1.9
471.31088	2.5
501.82004	1.5
515.29913	1.7
653.31836	10.5
733.38342	4.2
751.39032	22.8
752.39667	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	811.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	3.4
58.00465	0.8
59.01246	30.6
59.49280	0.3
60.01581	0.4
61.98704	0.6
67.01751	0.8
68.99682	0.9
69.03323	1.4
69.47623	2.6
71.01250	25.7
72.01570	0.3
72.99170	4.5
73.02795	2.2
73.03114	0.2
75.00742	11.5
81.03310	0.4
81.57456	0.3
83.01256	1.6
85.02819	25.6
86.03128	0.3
87.00742	9.2
89.02311	8.3
91.03875	1.1
93.03326	1.1
95.01255	5.2
96.95878	1.9
97.02823	0.9
99.00745	7.0
99.01340	0.5
99.04401	0.8
101.02307	2.6
103.00233	2.4
108.02050	1.0
109.02839	1.8
111.00748	1.9
112.01582	0.3
113.02323	34.6
114.02641	0.7
115.00219	1.5
117.01815	1.9
117.03253	0.3
119.03370	0.5
119.04887	0.9
121.02839	1.4
123.00754	0.7
123.04395	0.5
124.01534	0.8
125.02334	1.5
127.00250	0.5
127.03907	0.5
129.01813	1.8
131.03409	1.0
132.02028	0.4
133.02866	0.4
133.04898	0.5
134.03638	2.1
135.02898	2.3
135.04422	1.2
136.01472	0.4
137.02350	1.8
138.01071	0.3
139.00266	0.9
141.01755	0.4
143.03368	0.4
145.02831	0.5
147.04373	0.4
149.02341	5.2
149.04414	0.7
149.05917	0.6
149.99454	0.3
150.03154	0.9
151.00282	0.5
151.03877	0.6
152.01036	0.9
153.01823	2.2
154.42657	0.3
157.01308	0.9
159.02916	0.8
160.01505	0.9
161.02306	0.5
163.03888	1.0
164.04684	3.8
165.01842	0.7
165.05453	1.1
167.03339	0.5
168.00572	0.5
173.04350	0.4
174.01599	0.6
175.00241	0.9
175.02382	2.4
175.03897	0.8
177.01837	0.4
179.03461	0.5
179.07027	0.7
181.04980	0.8
190.02609	2.7
191.03316	0.6
191.05562	0.6
193.03442	4.2
193.05020	1.6
195.06606	1.0
205.04985	2.5
205.07098	2.7
207.05040	1.4
223.06079	4.0
223.08102	0.6
231.05025	0.5
247.08246	1.0
249.06111	8.2
264.65384	0.3
267.07187	100.0
268.07510	4.5
269.04343	0.3
273.06131	0.6
277.05606	0.3
285.03937	1.6
291.07205	10.5
292.07565	0.6
330.11057	0.5
331.06363	0.5
335.06177	15.9
336.06400	0.9
337.07785	1.9
345.13397	0.8
361.52875	0.4
367.10385	0.5
405.06876	0.4
475.15955	1.0
476.16931	0.3
605.17505	3.3
751.36743	0.5
811.22388	4.3
812.23669	1.2
831.56836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.4
57.13624	0.5
59.01248	19.5
62.01250	0.7
65.66363	0.6
69.03324	3.6
69.58757	0.6
69.70219	0.6
71.01257	4.7
71.04874	0.9
71.58013	1.0
73.02801	0.8
81.03313	0.8
81.45741	0.6
83.01255	1.5
85.02827	1.5
87.00741	1.3
89.02296	3.7
93.03331	1.0
95.04936	1.1
97.06452	2.0
101.02346	4.6
109.06461	1.0
113.02309	2.8
116.92726	1.4
119.03382	0.9
121.06445	0.9
123.08018	1.2
125.09660	3.2
137.09618	1.6
145.04900	1.1
161.04462	1.9
163.11182	2.5
165.12651	0.7
167.10683	2.7
171.10297	0.9
172.14474	0.6
174.84464	0.6
177.12788	0.8
179.10684	1.4
179.14326	3.1
185.11719	3.9
191.14325	4.3
195.13823	11.2
205.12288	10.4
207.10181	2.1
209.11729	9.0
211.13336	1.1
223.13338	100.0
224.13681	3.4
225.11168	1.2
235.08197	4.2
237.11305	1.0
245.19136	5.6
253.09225	10.5
263.20197	1.1
271.17038	1.1
277.21768	1.6
289.18073	29.4
290.18436	1.8
307.19150	28.4
308.19406	1.3
397.23672	1.2
415.25061	1.8
439.00119	0.7
459.22339	9.3
460.22598	0.9
495.30804	1.2
513.32190	1.5
525.27264	0.9
527.78979	0.7
543.28320	0.9
633.32941	4.4
651.33911	1.9
658.72583	0.7
667.18048	0.7
713.39020	1.0
731.40222	0.8
749.41064	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	809.41
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	23.4
61.98687	14.3
65.69505	5.7
71.01251	14.9
71.58055	11.3
72.99166	5.5
75.00790	5.6
78.95805	5.6
83.04903	8.4
85.02828	8.8
86.16754	6.1
88.29783	5.1
89.02323	11.6
93.46098	5.4
96.95881	46.4
99.92409	5.6
101.02327	5.6
105.28635	5.2
111.08068	7.9
113.02266	8.9
116.92736	44.6
125.02348	19.0
125.09512	6.9
137.02319	6.2
149.02377	9.0
151.03914	7.1
160.87320	5.3
161.04504	6.7
171.10173	9.9
188.87701	5.6
197.11688	23.0
201.11279	59.0
205.05034	8.1
206.94165	5.5
209.11754	100.0
210.12155	8.9
211.13335	17.7
220.39769	5.8
227.12827	37.8
235.08279	11.3
245.08118	6.5
253.09248	47.5
291.19754	23.4
309.20706	96.3
445.20468	9.6
463.21625	6.3
527.28528	6.0
545.29462	11.9
729.40607	13.5
756.42090	6.4
771.42291	7.7
809.40967	36.9
810.42218	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	807.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	42.6
61.98701	16.1
62.31968	13.4
64.35513	12.7
71.01223	30.9
71.57583	14.1
71.74551	15.1
78.95764	31.3
88.10905	14.0
103.40827	14.8
119.59805	14.5
171.10094	18.7
187.64661	13.3
197.11792	14.1
207.10211	39.0
209.11700	33.8
211.13289	100.0
223.13298	21.7
225.11331	18.9
245.95462	13.4
253.09271	35.1
291.19626	36.6
293.21204	21.3
309.20612	67.7
417.74780	15.0
447.22397	20.2
636.98047	14.3
807.43207	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	24.2
61.98700	29.4
64.36394	17.6
70.36963	16.1
71.28739	35.4
85.61801	18.1
96.95856	96.4
99.09056	18.8
159.94437	17.5
162.73691	17.7
171.10164	34.8
197.11722	22.8
199.09505	17.5
209.11647	25.2
211.13354	100.0
227.12784	26.0
235.09529	51.1
291.19720	34.2
293.21259	21.3
294.99042	18.1
309.20645	65.9
309.37787	16.6
329.25635	20.5
447.22144	24.7
807.43134	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	807.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.8
58.00463	0.9
59.00947	0.6
59.01245	16.3
69.03330	1.2
71.01250	18.6
72.01579	0.5
72.99181	1.7
73.02823	3.7
75.00738	0.5
81.03341	0.8
83.01251	1.7
85.02811	4.7
85.03203	0.4
87.00735	5.5
88.49047	0.4
89.01748	0.8
89.02307	15.4
95.01263	1.7
97.02818	3.8
98.19733	0.7
99.00756	1.4
101.02316	13.0
109.02848	0.5
111.04366	0.5
113.02322	8.2
119.03355	3.9
125.02320	8.2
125.09579	0.8
127.11177	1.9
131.03384	0.8
133.04932	1.1
139.03851	0.8
141.01848	0.5
143.03419	2.7
153.09052	0.6
161.04483	3.3
161.15355	0.4
171.10167	100.0
172.10521	3.9
179.03450	0.4
179.03943	0.4
179.05511	3.7
199.06035	0.7
213.11006	0.5
217.07118	1.0
221.06615	1.8
229.59761	0.7
235.08183	6.7
253.09129	0.8
255.23253	68.6
256.23599	5.3
259.08289	0.7
263.07657	0.9
269.24820	1.2
287.07675	2.5
305.08722	2.0
323.09943	1.4
361.11664	0.7
379.12408	13.1
380.12888	1.1
397.13449	42.5
398.13663	2.2
415.14542	7.7
524.17407	0.5
545.86450	0.4
551.23700	1.0
569.24634	0.7
653.37408	1.4
716.43701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	40.2
71.01239	34.8
71.44667	23.3
78.95757	36.8
80.91536	10.7
80.95040	12.4
85.40971	13.2
96.95896	21.8
160.19743	15.5
171.10156	25.1
197.11673	18.9
197.46454	12.9
207.10167	17.2
209.11784	100.0
211.13292	52.5
225.11169	27.7
227.12816	41.2
253.09332	33.8
277.21545	25.2
291.19592	34.9
293.21280	64.0
307.19037	31.5
309.20563	15.8
807.42993	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	21.4
61.98695	15.2
69.03324	3.8
71.01245	37.6
71.57636	6.8
73.02818	5.3
78.95779	4.4
83.04887	5.0
89.02299	6.7
95.04924	4.0
96.95854	10.4
97.02799	10.3
97.06470	4.6
99.00770	3.8
101.02297	9.6
109.06455	29.7
110.48109	3.2
111.08021	4.1
113.02301	5.6
125.09616	6.7
135.08076	5.3
139.49092	3.5
161.04433	5.2
163.11165	18.3
165.12843	5.0
171.10150	24.8
181.12251	4.8
185.11703	8.8
197.11751	29.7
199.09721	12.6
199.13217	5.7
201.11194	6.7
207.10191	94.1
209.11757	100.0
210.12105	5.3
211.13312	10.7
222.36935	4.2
223.09605	4.5
225.11281	47.6
227.12866	22.3
235.08191	9.7
245.19203	4.2
253.09238	35.2
289.18130	8.9
291.19647	37.7
293.21185	12.7
307.19153	17.6
309.20688	68.1
310.20779	7.6
427.24661	9.3
461.20071	15.8
735.39612	6.5
753.40649	19.3
754.40607	5.9
807.39386	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	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.3
58.00478	0.2
59.01250	2.7
64.71740	0.1
69.83353	0.1
71.00883	0.2
71.01250	2.6
71.34630	0.2
73.02820	0.3
83.01241	0.2
85.02811	0.5
87.00753	0.4
89.02316	1.8
95.01262	0.2
95.04919	0.1
97.06495	0.2
99.00771	0.1
101.02323	2.3
102.03143	0.1
111.08038	0.3
113.02328	1.1
113.09610	0.3
119.03376	0.5
122.03287	0.1
143.03355	0.2
161.04445	1.1
167.10661	0.3
171.10094	0.2
177.12741	0.2
179.05513	0.5
179.10628	0.1
179.14319	0.5
181.12221	0.3
193.23557	0.1
195.13841	7.7
196.14520	0.8
205.12357	0.7
205.15930	0.3
211.13338	0.3
223.13351	5.1
224.13722	0.3
225.14813	0.2
228.13609	0.4
231.21150	0.4
235.08228	0.8
239.12895	0.2
249.11127	0.2
249.22144	0.3
253.09265	16.3
254.09569	0.5
256.13123	1.2
265.21832	0.3
275.20151	5.4
276.20523	0.4
291.19699	0.3
293.21228	100.0
294.21558	7.4
316.16159	0.1
357.01895	0.1
362.56897	0.1
492.22128	0.6
493.22678	0.1
529.30096	1.1
569.42236	1.3
570.42896	0.3
613.47473	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	805.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	22.1
61.98698	45.4
71.01276	17.1
71.57955	12.9
78.95783	14.6
79.95606	19.4
80.96391	57.7
82.58070	10.6
83.04939	10.6
94.97961	9.1
98.44437	12.0
101.02319	11.0
121.02869	19.9
140.30669	12.8
140.62903	12.6
209.11748	22.1
211.13364	34.7
225.00650	21.7
253.09363	15.9
277.21741	43.7
289.18027	20.0
291.19635	100.0
505.73724	12.5
521.26129	16.9
750.89502	11.6
805.40247	63.4
806.41022	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	805.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
59.01250	1.9
61.98690	0.6
64.85728	0.2
71.01234	0.6
74.06071	0.1
78.95783	0.3
80.96375	0.2
81.03314	0.2
83.04887	0.6
89.02288	0.2
89.64231	0.2
93.03349	0.3
95.04868	0.6
96.95853	0.2
97.06461	0.2
100.83199	0.2
108.53590	0.2
109.06441	0.5
111.08033	7.6
112.08335	0.2
113.09573	0.4
119.09222	0.2
121.02822	0.7
121.06486	0.2
123.08043	0.2
124.99271	0.2
135.11684	0.2
137.09604	0.5
139.11201	0.2
141.09126	0.3
149.09608	0.5
161.09492	0.2
167.10658	1.9
169.12271	0.2
177.12787	1.5
179.10672	1.9
190.00671	0.2
195.13832	5.6
196.14226	0.2
203.14381	0.2
247.20609	1.7
253.09349	0.9
273.18555	0.9
277.21695	4.8
278.22189	0.3
279.22931	0.2
291.19635	100.0
292.19974	7.4
292.23291	0.4
294.43918	0.2
421.28033	0.4
421.51303	0.2
805.39575	0.7
806.41022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	10.8
61.98710	1.0
62.05308	0.8
65.81444	0.9
67.01761	1.9
69.03332	1.6
69.34340	9.6
69.38601	0.8
71.01253	6.8
72.99177	0.9
75.00751	1.4
77.48362	0.9
81.03313	0.9
83.01277	1.0
85.02815	6.0
87.00760	2.0
89.02332	4.0
93.03344	3.4
95.01254	1.8
96.95886	5.6
99.00771	1.2
101.02324	3.0
107.04873	1.1
108.02039	3.4
109.02827	7.7
111.00739	1.3
113.02332	4.4
118.85333	0.8
119.03349	1.8
119.04900	2.6
121.02834	2.9
122.03634	1.0
123.00787	3.9
123.04433	1.7
125.02322	3.4
133.02794	1.4
134.03616	2.8
135.04408	3.3
136.01511	1.3
137.02336	25.2
137.03305	1.7
138.03018	1.0
139.00298	1.5
139.03902	1.4
141.04138	1.2
145.02791	2.2
147.04404	1.5
149.02376	3.8
150.03137	5.6
151.00281	12.2
151.03928	5.2
152.01060	7.0
152.04660	2.6
153.01825	5.2
160.01540	1.9
161.02367	2.1
161.04471	1.6
162.03262	0.9
163.03925	3.4
164.01059	2.2
164.04691	2.2
165.01843	100.0
165.05453	8.1
165.12769	1.0
166.02631	36.1
167.03429	5.0
168.00566	2.2
173.04460	1.6
175.02484	1.3
175.03908	4.1
177.01848	4.9
177.05490	2.7
178.02678	1.5
179.03429	24.7
179.07039	0.9
180.04205	55.6
181.04979	43.6
182.05418	0.9
184.03696	1.6
187.03833	2.8
189.05409	1.3
190.02664	2.9
191.03497	1.9
191.05533	7.6
192.04239	2.5
193.04967	2.9
194.05766	4.6
195.02881	3.1
195.06558	82.5
196.06870	2.5
203.03329	1.2
204.04076	1.5
205.04973	7.4
206.05612	1.2
207.06590	3.1
209.08205	1.6
210.05275	12.2
219.06534	1.7
220.07335	2.7
223.05901	1.5
225.07631	65.7
226.08031	4.4
285.04010	2.7
331.07089	0.9
359.11191	1.9
371.11502	1.6
372.12128	1.3
373.12872	1.8
386.13696	1.2
387.10135	6.3
387.15067	6.7
395.56369	1.0
402.13226	4.2
403.14017	3.2
416.14655	2.9
417.15555	55.9
418.15677	4.1
496.44171	1.0
552.20325	1.3
565.18604	1.9
595.21875	54.5
596.22125	7.8
597.23621	1.1
613.22864	1.3
629.26416	2.4
643.23950	23.6
644.24304	3.6
680.11603	1.1
805.31042	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	805.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00982	1.2
59.01250	10.7
71.01239	5.9
72.99182	1.1
73.02808	1.1
79.18568	0.9
83.01244	1.3
85.02806	4.3
87.00761	2.0
89.02309	4.0
93.03331	4.2
95.01229	1.8
96.94501	1.1
96.95883	6.8
99.00768	1.3
101.02312	3.1
107.04909	1.0
108.02041	3.4
109.02823	6.7
113.02319	3.4
119.04929	1.8
121.02834	2.2
123.00771	3.7
123.04387	2.3
125.02325	3.3
135.04393	2.7
136.01566	2.6
137.02339	29.2
138.03107	1.2
139.00246	1.2
141.04063	1.7
145.02837	2.7
147.04379	1.9
149.02342	3.7
150.03154	5.6
151.00262	11.0
151.03922	5.8
152.01080	4.9
152.04607	1.9
153.01788	4.3
155.03401	1.4
159.04401	1.1
160.01613	1.8
161.02361	2.1
161.04440	1.3
162.03085	1.3
163.03929	5.3
164.01028	1.3
164.04709	3.0
165.01839	100.0
165.05466	7.3
166.02623	37.7
167.03395	4.7
168.00542	2.0
173.04434	1.1
175.02428	1.9
175.03880	3.9
176.04533	1.1
177.01848	3.4
177.05489	2.7
178.02553	1.4
179.03412	22.4
179.06976	2.3
180.04198	59.5
181.04982	45.1
182.05304	1.3
184.03590	0.9
187.03932	1.8
190.02666	1.2
190.06303	1.7
191.03520	1.6
191.05496	7.3
192.04181	2.2
193.04945	3.8
194.05743	4.5
195.06552	83.6
196.06895	3.2
203.03360	1.1
204.04250	1.2
205.05026	6.8
206.05489	1.0
207.06606	2.6
209.08119	2.1
210.05246	10.1
220.07301	3.7
223.06041	2.0
225.07629	70.6
226.08000	3.7
251.09233	1.0
284.03464	1.2
285.03961	3.1
331.06464	1.0
357.09262	1.0
359.11090	1.1
371.11169	1.7
372.12244	1.8
373.12820	1.7
385.12628	1.3
386.13458	1.1
387.10019	6.3
387.15268	6.3
402.13217	3.6
403.13776	2.7
416.14825	3.7
417.15518	53.1
418.16010	7.1
433.14606	1.4
524.99188	0.9
565.18280	1.7
580.19086	1.6
595.21808	52.0
596.22101	8.2
613.23602	1.1
629.25806	2.2
643.23950	28.2
644.24078	5.0
805.31775	1.9
806.30304	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.4
59.01246	4.6
61.98690	1.4
66.82990	0.4
68.99676	0.4
69.03318	2.9
69.67396	2.5
69.87014	0.4
69.93511	0.4
71.01254	2.6
72.99191	0.7
73.02820	0.7
75.00734	0.6
81.03324	1.3
83.01258	1.2
83.04842	0.5
85.02813	1.7
87.00729	0.6
89.02303	1.4
93.03321	1.2
95.01249	1.7
95.52096	0.4
96.95879	6.4
97.02834	2.3
98.95462	0.6
99.00735	0.6
101.02319	1.6
103.83170	0.4
107.01279	1.0
108.02047	3.5
109.02835	2.1
113.02293	1.8
116.92629	0.4
119.03390	0.4
119.04846	0.4
121.02827	0.8
122.05988	2.1
123.00772	5.0
123.04375	0.8
124.01553	10.9
125.02325	42.0
126.02636	0.9
133.02853	0.7
134.03615	0.6
134.05998	0.5
135.00790	1.2
135.04457	0.7
136.01524	1.0
137.02333	3.4
138.03108	0.4
139.03928	0.4
141.01765	0.4
141.04019	0.5
145.02852	1.1
146.03575	0.5
147.04358	0.6
148.01532	0.4
149.02364	2.5
149.99474	21.3
150.03079	1.4
151.00276	3.7
151.03859	1.2
152.01057	4.3
152.04655	0.4
152.07040	2.9
153.01855	2.5
153.05492	0.4
160.01521	1.0
161.02293	1.4
162.03102	1.1
163.03911	1.2
164.04659	0.5
165.01790	0.7
165.05399	1.2
166.02673	2.9
167.03401	2.4
168.00542	49.8
169.01300	6.0
173.04497	0.5
175.00351	0.6
175.03899	2.1
176.01004	0.4
177.01831	1.4
177.05487	1.5
179.03406	0.8
179.07010	0.6
181.05013	2.1
190.02663	0.8
191.03381	0.8
191.05391	0.5
192.00542	0.9
193.01370	0.9
193.05016	1.3
197.11711	0.6
205.05052	2.3
209.11743	1.6
211.02420	0.5
217.04901	0.4
223.06010	1.9
224.06482	0.5
227.12923	0.5
243.06523	0.6
249.34268	0.3
256.03809	0.5
284.03232	1.0
285.03979	6.3
286.04233	0.7
313.05606	9.2
315.07220	2.1
331.06677	100.0
332.07074	4.6
339.06989	0.5
399.05634	22.5
400.05978	1.2
415.14404	0.4
417.15509	1.1
489.03140	0.5
520.20203	0.5
565.20905	1.1
577.20355	0.5
593.23486	0.5
595.21753	3.9
611.24872	0.8
625.26862	2.5
643.27625	1.9
658.33966	0.5
685.28461	1.1
773.38104	0.5
805.17926	7.5
805.32520	0.6
805.40790	0.5
806.17957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	3.1
59.05614	0.3
65.00189	0.5
65.03811	0.9
67.01750	0.5
69.03336	2.3
70.99334	0.5
70.99657	0.5
71.01260	2.0
73.02823	0.5
75.00793	0.5
76.51136	0.4
81.03325	1.0
83.01257	1.1
85.02817	1.4
87.00739	0.7
89.02295	0.6
91.01770	2.2
93.03322	1.5
95.01274	1.9
96.95889	2.2
97.02814	2.9
101.02312	0.8
107.01263	1.1
108.02051	1.6
109.02840	8.2
113.02373	0.9
115.00277	0.4
119.04944	0.5
121.02826	0.7
123.00771	4.5
123.04420	0.6
124.01555	10.5
125.02332	44.8
126.02656	1.0
133.02831	0.6
134.03647	0.7
135.00774	5.1
135.04381	1.4
137.02327	2.1
141.04045	0.8
145.02850	0.6
149.02341	1.4
149.99492	20.7
150.03113	0.4
151.00266	3.0
151.03889	0.7
152.01024	1.2
152.07051	0.8
153.01836	15.8
155.03409	0.4
160.01646	0.6
160.03972	0.4
161.02373	0.5
163.03922	0.8
164.04741	0.4
165.01819	0.5
165.05470	0.9
167.03357	1.7
168.00546	50.8
169.01311	6.8
173.04474	0.9
175.03859	0.4
177.01825	0.6
179.03429	0.4
190.02548	0.5
191.05536	1.2
192.00665	0.4
193.01375	0.4
193.04900	0.5
195.06740	0.4
205.01266	0.4
205.05025	0.6
211.02370	0.5
223.05927	0.4
243.02922	1.4
255.03036	0.7
262.54025	0.4
283.02625	1.1
283.06177	1.0
285.04004	1.3
285.12555	0.5
287.07587	0.5
301.03577	1.3
311.05563	1.2
313.05640	8.8
315.07236	0.8
321.09579	0.6
331.06696	100.0
332.07037	3.7
355.06885	0.6
358.34219	0.4
399.05640	20.2
400.06049	1.2
561.10938	0.5
621.50775	0.5
629.26385	0.6
643.26862	0.6
697.12567	3.2
740.21228	0.5
805.17322	6.8
805.41797	0.7
806.18372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.1
59.01254	10.2
61.98706	8.7
65.03813	2.0
69.03336	1.5
71.01248	8.8
71.57532	0.9
72.99182	0.9
73.02807	1.5
83.01279	1.0
83.04902	1.6
85.02812	2.6
85.06436	1.2
87.00727	1.3
89.02333	5.2
93.03336	9.7
96.95892	1.1
97.06446	2.2
99.08006	0.9
101.02324	6.0
106.04163	0.9
113.02314	3.8
117.06989	6.4
119.03374	2.1
119.08554	12.1
123.08080	2.8
125.09635	5.6
127.11197	1.6
133.06483	2.9
135.08067	30.9
137.09572	1.2
161.04477	1.9
171.10191	78.5
172.10503	3.0
209.11745	4.2
211.13304	3.7
219.82103	1.0
231.13853	1.3
233.15366	5.9
235.08234	2.8
245.19061	1.9
249.14984	8.7
253.09286	13.1
261.18546	2.8
271.16974	4.6
277.21732	100.0
278.22089	8.4
279.19614	3.2
289.18103	46.0
290.18408	3.6
307.19159	34.2
308.19519	1.9
334.72021	1.0
397.13416	1.0
407.19186	2.7
507.26141	1.7
525.27002	9.8
543.28119	6.8
780.23352	1.1
785.48273	9.7
786.48676	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	803.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07021	0.4
57.03316	1.5
59.01251	6.4
61.98697	2.5
66.43201	0.5
67.02272	0.5
71.01259	3.1
71.04881	0.6
73.02811	0.9
75.31169	0.4
83.04910	0.7
85.02818	1.2
87.00732	0.9
89.02309	2.8
95.04884	0.7
98.36112	0.5
101.02328	3.2
109.06464	0.7
111.08032	8.6
113.02328	1.9
113.09588	0.7
119.03386	0.8
137.64818	0.5
161.04410	1.3
167.10657	2.1
177.12758	2.1
179.05536	0.7
179.10674	1.9
195.13829	10.6
196.14192	1.0
205.12325	0.9
211.13371	1.5
221.16092	0.5
223.13330	4.1
225.14764	0.6
228.13638	0.7
230.17140	0.5
235.08215	2.7
247.20644	2.8
253.09236	15.1
254.09529	0.5
256.13083	0.9
265.21713	0.9
273.18637	1.1
275.20142	4.3
277.21655	2.1
291.19641	100.0
292.19989	7.8
293.21207	78.8
294.21494	5.4
327.66516	0.5
527.28510	6.4
528.28986	1.0
529.30029	0.9
567.41095	0.7
629.40930	0.5
694.91534	0.5
803.49335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.5
59.01250	8.2
61.98706	2.2
70.15293	1.1
71.01260	4.1
71.04887	1.2
72.99180	0.4
80.02541	0.5
81.03327	0.8
83.01249	0.6
83.04890	1.0
85.02820	0.9
87.00738	0.5
89.02324	2.9
90.90588	0.3
95.01234	0.3
95.04926	0.8
97.02831	0.3
97.06454	0.6
98.03588	0.6
101.02312	3.3
106.04132	0.5
109.06475	7.2
111.04390	2.3
111.08009	0.8
113.02341	1.4
119.03383	0.8
121.06487	0.5
121.10148	0.3
122.63558	0.3
123.08057	1.1
125.02330	0.3
127.07580	0.8
135.08038	0.8
137.09599	0.8
141.09120	0.3
143.03416	0.4
143.10674	1.1
145.06450	1.4
149.09605	1.3
151.11198	0.5
159.08112	0.4
161.04460	1.3
167.10715	1.9
177.12828	0.6
179.05557	0.7
179.10664	0.8
181.12280	0.4
181.85338	0.4
184.26100	0.3
185.11810	1.7
191.14308	0.4
195.13843	2.7
203.12791	0.6
224.82076	0.3
233.15376	0.4
235.08249	1.7
235.13342	0.4
243.17470	0.4
245.13927	1.2
245.19084	3.7
249.14954	0.3
251.16533	0.3
253.09258	8.6
259.13333	0.3
271.17023	1.3
273.14969	0.6
275.20108	0.5
277.21713	61.7
278.22037	4.4
287.16385	1.4
289.18088	100.0
290.18430	7.0
291.19550	0.9
293.21249	0.4
307.19131	4.2
331.43314	0.3
507.26166	0.5
525.26935	2.3
540.15771	0.3
554.63904	0.4
785.48749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.8
58.00454	1.1
59.01248	17.3
61.98693	4.4
69.03320	2.2
71.01247	16.4
71.04884	2.3
72.69536	0.8
72.99186	1.4
73.02821	2.8
75.00753	1.2
77.48923	0.8
78.95781	1.4
79.37772	0.7
79.95598	1.2
81.03327	1.8
83.01238	2.2
83.04892	2.3
85.02808	5.1
87.00748	4.2
89.02312	10.7
93.03336	0.9
93.77497	0.8
95.01247	1.1
96.95883	54.4
97.02828	4.2
97.06457	5.3
99.00751	12.6
101.02312	12.5
107.84124	0.7
109.02821	1.4
111.08012	0.7
113.02311	7.0
115.00266	0.7
116.92693	0.9
119.03376	3.6
123.04401	1.0
123.08041	1.6
125.02349	4.0
125.09627	4.8
133.98067	0.7
134.03630	1.2
135.00798	0.9
137.02335	1.8
142.02637	0.8
143.03438	1.8
149.02333	0.9
150.03053	0.9
152.00911	0.9
160.01448	0.9
161.04457	2.9
163.04013	0.7
163.11156	8.2
167.03435	1.2
168.61015	0.8
171.10172	8.1
175.02429	0.7
175.03818	1.1
179.05585	1.7
179.10722	0.9
181.12260	12.4
183.13814	8.5
184.14125	1.4
189.76764	0.8
193.12199	4.3
197.11769	2.2
199.13315	6.6
207.10194	16.4
209.11745	4.9
210.12154	0.9
211.13327	100.0
212.13631	5.4
225.11267	22.7
225.14706	5.0
226.11746	1.1
227.12961	0.9
229.21030	1.0
235.08113	3.8
243.12363	10.7
243.16064	2.3
253.09302	2.7
267.07022	1.1
285.03992	1.1
287.16577	0.8
289.07141	1.0
305.08621	1.1
309.20792	0.8
323.09604	1.0
341.23328	9.9
342.23621	1.3
379.12439	4.8
397.13446	23.9
398.13812	1.3
415.14740	4.5
461.20221	1.8
479.21393	3.0
590.26593	0.8
591.26361	5.2
609.27368	4.3
688.11914	1.0
735.66394	0.9
785.39832	2.8
803.44336	53.8
804.44995	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	803.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
58.00462	0.6
59.01252	10.9
60.81670	0.3
61.64354	0.3
61.98696	1.1
69.03320	1.2
70.04359	1.1
71.01257	10.1
72.99175	0.6
73.02813	1.5
75.00747	0.5
80.91563	0.4
81.03353	0.5
83.01265	1.1
83.04897	0.6
84.02049	0.3
85.02824	2.7
87.00754	2.7
89.02322	8.6
89.92222	0.3
91.03891	0.3
93.03358	0.3
95.01234	0.9
95.04855	0.3
96.95903	3.1
97.02837	1.4
98.20487	0.3
98.95445	0.3
99.00757	0.9
101.01694	0.5
101.02331	6.6
109.02853	0.4
113.02335	4.6
119.03390	2.0
121.02852	0.8
123.04394	0.3
123.78020	0.3
125.02338	3.3
126.02615	0.3
131.03456	0.4
133.04962	0.5
137.02316	0.5
143.03430	1.3
161.04474	2.0
163.11157	0.4
165.01805	0.4
165.12769	0.5
167.10623	0.5
167.14363	0.5
169.12299	0.4
171.10162	1.4
179.05550	2.3
183.13824	7.4
183.15344	0.5
193.12277	2.1
197.11772	0.9
199.05934	0.4
199.13391	0.4
209.11777	1.2
211.13342	100.0
212.13658	4.2
217.07120	0.4
221.06555	0.5
223.13422	0.4
225.11295	0.3
225.14880	0.3
235.08208	2.7
243.12259	0.3
253.09360	0.9
253.14563	0.4
259.08197	0.3
287.07797	0.9
305.08841	1.1
323.09830	0.7
326.97601	0.3
327.21359	0.3
341.23145	0.3
370.45117	0.3
379.12494	4.0
387.25357	0.4
397.13495	21.2
398.13852	1.1
405.26590	0.6
415.14536	4.4
415.19803	0.5
591.26495	3.3
592.28186	0.3
609.27502	3.8
672.33948	0.3
682.21155	0.3
785.39655	1.5
803.41443	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	803.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
58.00455	0.6
59.01247	10.9
61.98710	1.4
66.94581	0.2
69.03328	1.2
71.01249	10.0
71.57336	0.4
72.99159	1.0
73.02825	1.5
75.00719	0.5
80.91544	0.3
81.03334	0.7
83.01257	1.1
83.04877	0.5
85.02818	2.7
87.00736	2.5
87.04377	0.3
89.02313	7.9
93.03346	0.4
95.01255	0.7
96.52847	0.2
96.95879	3.7
97.02819	1.5
97.06486	0.3
99.00748	0.5
101.02319	8.0
108.02081	0.2
109.02837	0.4
111.00742	0.3
111.04422	0.3
113.02326	4.6
119.03403	2.2
121.02802	0.3
125.02337	3.6
125.09644	0.2
131.03374	0.3
133.04961	0.3
137.02289	0.2
139.03911	0.3
141.01897	0.4
143.03429	1.1
145.33820	0.2
149.04405	0.2
151.11198	0.2
153.51118	0.2
161.04457	2.3
163.11215	0.2
165.12711	0.4
167.03334	0.2
167.10786	0.2
167.14288	0.5
171.10178	1.2
179.05519	2.3
181.12132	0.2
183.13828	7.6
184.14130	0.4
193.12280	1.8
197.11676	0.6
198.07265	0.3
207.10161	0.3
209.11810	1.2
211.13330	100.0
212.13675	4.9
215.79140	0.2
217.07175	0.4
221.06625	0.7
225.11264	0.5
227.12906	0.3
235.08188	2.7
253.09235	0.8
253.14520	0.3
259.08417	0.3
287.07800	0.8
305.08731	0.9
323.09769	0.7
325.20181	0.3
341.23282	0.6
379.12436	3.9
380.13217	0.2
397.13464	21.1
398.13828	1.0
405.26822	0.3
415.14575	4.6
415.19846	0.4
591.26398	3.0
609.27594	4.1
610.28027	0.8
785.39575	1.3
803.43805	1.0
804.43903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.4
58.00454	0.5
59.01247	10.5
60.01601	0.2
61.98693	0.4
68.64924	0.2
69.03324	0.8
71.01248	8.2
72.99178	0.4
73.02810	1.2
75.00737	0.2
78.98214	0.2
81.03329	0.6
83.01252	1.2
83.04903	0.4
85.02814	2.3
87.00742	2.2
88.52623	0.2
89.02314	7.6
95.01246	0.7
96.95894	0.7
97.02822	1.4
98.20668	0.4
99.00733	0.6
101.02316	6.7
111.00748	0.2
111.04386	0.3
113.02322	3.9
115.03848	0.2
119.03387	2.0
125.02335	3.3
131.03377	0.4
133.04982	0.3
139.03865	0.3
141.01793	0.4
143.03403	1.3
155.10635	0.3
161.04498	1.6
165.12791	0.4
167.10696	0.4
167.14297	0.8
171.10147	0.4
178.04984	0.2
179.05508	2.3
181.12209	0.3
183.13818	7.4
184.14217	0.3
193.12283	1.9
199.05960	0.3
199.90561	0.2
209.11760	0.4
211.13321	100.0
212.13681	4.8
213.14912	0.2
217.07060	0.5
221.06566	0.8
221.46310	0.2
225.11174	0.3
225.14848	0.2
227.12831	0.2
235.08157	2.3
253.09230	0.6
253.14482	0.3
255.38382	0.2
263.07596	0.4
277.90707	0.2
287.07803	0.9
305.08722	0.8
319.10025	0.2
323.09784	0.8
341.23297	0.3
379.12427	3.8
397.13464	20.2
398.13763	1.3
405.26605	0.5
415.14539	4.4
415.19891	0.3
591.26440	3.0
592.27069	0.4
609.27563	4.1
610.27570	0.3
696.07520	0.2
784.81873	0.2
785.39508	1.1
803.42896	0.5
811.47015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.7
61.98700	100.0
69.43554	0.4
69.43960	2.0
71.01271	0.4
78.80735	0.3
101.02339	0.4
141.44006	0.3
171.10182	0.6
183.13838	0.6
184.14143	0.3
207.34247	0.3
211.13329	7.7
212.13658	4.6
213.13879	1.6
214.14183	0.5
253.09334	0.5
277.21725	4.7
278.21979	3.3
278.24561	0.3
279.22253	1.6
289.18115	0.4
298.24518	0.3
307.19330	0.4
353.97180	0.3
449.22855	0.6
783.13385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53049	0.3
57.03337	0.6
59.01245	3.4
61.98697	1.8
63.02268	0.9
65.00192	0.6
65.83305	0.3
69.03329	0.6
70.91804	0.4
70.92149	0.6
71.01250	2.5
73.02819	0.7
75.00758	0.6
78.95773	0.7
79.95612	1.1
83.01258	1.2
83.04900	0.4
85.02816	1.2
87.00774	0.7
89.02310	1.2
93.03321	1.0
95.01252	0.6
96.95879	32.4
97.02835	0.4
99.00748	0.4
101.02318	1.4
105.03323	0.4
107.01277	1.5
108.02059	0.8
109.02834	1.5
113.02338	1.2
116.92740	0.4
119.03349	0.3
119.04890	0.3
121.02849	1.1
123.04397	0.4
125.02338	0.9
133.02847	3.8
134.03624	1.6
135.00763	0.5
135.04408	0.6
136.01509	0.3
137.02354	2.0
141.04115	0.6
149.02328	3.3
149.05994	0.3
150.03181	0.3
151.00285	3.4
151.03912	0.8
152.01042	0.9
153.01791	1.0
154.01361	0.9
160.01559	0.7
161.02379	0.4
161.04395	0.4
163.03922	0.4
164.04695	0.8
165.05377	0.4
167.03374	1.0
169.01108	0.3
171.04364	0.3
171.10107	0.3
175.00301	0.6
175.03882	2.5
177.01918	0.5
179.03455	0.3
179.07016	0.4
181.05098	0.4
181.12218	0.3
183.13791	0.5
185.05980	0.6
187.03873	0.3
190.02664	1.7
191.03474	0.3
191.05550	0.4
193.01329	0.7
193.04965	0.9
195.06635	0.5
199.03850	1.5
201.01790	0.5
205.04936	1.7
208.03658	0.9
209.11824	1.5
211.04030	0.4
211.13342	2.4
213.05469	0.6
215.03377	0.4
217.05000	0.8
218.05644	0.3
223.03993	0.3
223.06017	4.7
227.03496	0.7
240.04118	0.3
241.04965	0.6
243.02943	0.5
243.06613	0.7
253.09294	0.4
255.02919	0.9
256.03772	1.4
267.02905	0.4
267.07248	0.3
269.04520	0.8
279.11349	0.4
283.02402	0.4
284.03238	16.8
285.04007	100.0
286.04373	6.4
316.06702	0.4
327.05157	0.3
331.06647	0.3
347.22797	0.4
397.13617	0.9
433.14886	0.8
593.25934	0.5
728.59552	0.3
803.34808	28.2
804.35260	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	801.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	6.0
61.98703	100.0
71.01241	6.5
78.95776	3.2
84.46492	3.0
89.00436	2.7
89.02295	6.8
101.02286	3.9
115.90012	2.6
116.64802	2.8
125.09576	3.8
160.46953	3.2
171.10129	3.2
194.04370	3.5
197.11749	23.5
201.11319	24.9
209.11757	60.8
210.12184	5.1
227.12871	8.0
229.31757	3.6
235.08144	6.9
253.09222	16.2
277.21719	60.6
278.22125	7.0
289.18124	32.0
293.21243	32.3
458.00458	3.3
801.44672	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	801.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	5.0
58.00469	3.4
59.01249	56.4
61.98708	4.5
65.03817	2.7
69.03338	4.8
70.33311	1.3
70.33690	1.7
70.85349	1.0
71.01254	51.2
72.01595	0.9
72.99190	4.6
73.02820	7.4
75.00744	2.4
79.15210	1.1
81.03338	3.7
83.01255	4.6
83.04897	7.9
85.02827	13.1
85.06468	1.1
87.00748	11.2
89.02317	35.8
93.03338	3.6
95.01253	3.9
95.04926	2.5
96.95891	6.5
97.02820	5.4
97.06460	3.7
99.00764	3.1
101.01686	1.7
101.02327	27.3
105.06991	1.2
108.02074	1.0
109.02813	2.3
109.06490	2.4
111.00774	1.3
111.04398	1.6
111.08060	4.6
112.20797	0.8
113.02332	21.2
114.58491	0.8
119.03387	6.6
119.04899	1.8
121.02837	2.4
122.03512	0.9
123.00704	1.4
123.04436	1.6
123.08065	2.5
124.01610	1.3
125.02347	11.5
125.09608	18.7
131.03362	1.3
134.03619	2.9
135.04437	1.1
135.08063	1.2
137.02354	2.6
137.09677	1.9
141.01840	0.9
143.03400	3.3
145.04916	1.0
149.02364	2.2
152.01071	2.1
153.01869	0.9
160.01558	0.9
161.04465	6.5
163.03893	1.2
163.07587	0.9
163.11253	1.7
164.04726	1.2
165.05463	0.9
167.03398	1.4
171.10178	27.6
172.10553	1.3
173.99339	1.1
175.03908	1.5
179.05508	8.4
183.13843	2.2
187.09683	2.5
187.14847	1.7
189.16455	1.8
190.02658	1.2
193.05037	1.6
201.12820	1.5
205.05009	2.5
205.15877	3.5
207.13873	1.9
209.11771	13.3
209.77313	0.9
211.13348	19.4
213.12897	1.0
213.14836	1.1
215.14349	11.6
219.84831	0.9
221.06509	4.9
221.15474	2.0
223.06046	1.9
231.13861	2.1
233.15425	63.0
234.15784	3.3
235.08192	3.9
235.13261	1.7
249.14914	14.3
251.16446	2.1
263.07715	1.0
285.04065	3.6
309.20850	1.1
309.39352	0.9
323.09900	1.3
329.23389	2.1
331.06641	1.0
331.26419	4.1
341.24966	5.2
357.24472	1.8
359.25958	1.6
365.11160	1.1
367.22742	2.6
375.25223	5.1
379.12415	2.9
385.23831	21.4
386.24194	2.7
393.26498	2.9
397.13489	18.4
403.24899	36.6
404.25171	4.9
415.14575	3.0
421.25970	15.1
422.26160	1.5
467.23010	1.3
477.28793	1.1
547.32007	1.0
591.26630	1.4
616.95966	1.0
647.30011	1.3
726.43756	0.9
773.39911	2.1
782.04053	1.0
783.38062	100.0
784.38251	16.4
796.58716	1.0
801.39191	44.4
802.39233	7.1
816.12939	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	4.9
58.00458	4.4
59.01250	73.7
61.98688	8.4
65.03815	2.5
68.99670	1.1
69.03316	8.4
69.28633	2.9
69.29043	11.7
71.01249	70.7
71.04867	1.7
72.99176	8.2
73.02817	10.9
73.51231	1.5
75.00745	4.3
78.95767	1.3
79.95611	1.3
81.03316	3.4
83.01250	7.1
83.04893	9.4
85.02822	20.6
85.06471	2.4
87.00748	14.4
89.02312	43.5
91.05412	1.9
93.03337	4.2
95.01270	5.2
95.04919	2.5
96.95892	18.5
97.02817	7.0
97.06455	7.0
99.00762	4.8
99.04407	1.4
101.02322	36.1
108.02048	3.4
109.02848	3.9
109.06461	3.1
111.00722	2.4
111.04409	2.2
111.08023	5.7
113.02320	25.2
119.03387	9.8
119.04934	2.6
119.08491	1.4
121.02838	2.2
121.06487	2.7
123.08041	5.3
124.01544	1.7
125.02317	13.2
125.09611	19.7
127.11176	1.3
131.03387	2.9
133.02802	1.4
133.06552	1.4
134.03606	4.8
135.04239	1.3
135.08041	1.6
137.02319	4.2
137.09604	4.0
137.95020	1.3
139.03859	2.8
141.01816	1.9
143.03391	3.7
149.02386	2.5
149.09615	1.2
151.11188	1.9
152.01022	3.1
153.01814	3.7
159.08128	1.5
160.01503	1.5
161.04482	8.1
163.04065	1.4
163.11177	1.6
164.04630	1.5
165.05455	2.1
171.10168	50.3
172.10558	1.8
174.60739	1.3
175.03972	3.1
178.99760	1.3
179.03972	1.8
179.05527	14.7
179.06987	2.1
181.04976	1.5
181.12115	1.5
183.13800	4.0
185.11708	2.5
187.14832	1.8
189.16374	2.3
193.04993	3.7
201.12820	1.7
205.05006	2.6
205.15892	5.3
207.13866	3.0
209.11780	17.7
211.13330	26.7
212.13606	1.2
213.14682	1.2
215.14371	8.1
219.05005	1.9
221.06616	7.9
221.08420	1.4
221.15376	3.0
223.06058	2.4
231.13837	7.5
233.15408	61.9
234.15747	3.4
235.08112	6.4
235.13335	2.2
239.16400	1.9
247.16920	2.4
249.14922	30.6
250.15302	1.7
251.16495	4.6
267.07193	3.8
284.03564	1.4
285.03949	5.3
323.23932	1.8
331.26385	4.9
341.24948	6.2
359.25861	2.1
367.22632	4.8
375.25391	4.2
379.12393	5.2
385.23776	24.1
386.24100	2.6
393.26566	2.8
397.13486	28.6
398.13788	3.6
403.24890	45.9
404.25259	4.0
415.14410	4.2
421.26016	27.7
422.26245	2.4
629.28412	2.7
647.29114	3.1
773.39276	3.4
783.38049	100.0
784.38232	19.6
801.39136	86.9
802.39905	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	801.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.2
59.01250	5.8
61.98700	3.8
65.03828	1.2
69.03319	3.0
70.93501	1.3
71.01255	8.4
72.99155	0.8
73.02817	2.0
75.00741	1.4
81.03325	0.8
83.01252	1.0
83.91911	0.6
85.02822	6.1
87.00743	1.4
89.02323	2.0
93.03329	2.6
95.01270	2.7
96.95893	3.5
97.02834	1.1
99.00747	1.3
101.02319	3.1
107.01279	0.8
107.04931	0.7
108.02051	63.0
109.02840	38.2
110.03157	1.6
111.00795	0.9
113.02332	3.7
117.03310	0.7
117.34330	0.6
119.03405	0.7
121.02833	2.2
123.00777	2.2
123.04388	2.2
124.01548	0.5
125.02331	3.5
132.02057	0.7
133.02849	3.5
134.03619	2.0
135.00783	5.5
135.04425	2.7
136.01543	1.3
137.02338	4.8
141.01764	0.8
149.02367	2.2
150.03120	1.6
151.00247	1.5
151.03902	4.4
152.01059	71.3
153.01842	54.8
153.03635	0.8
154.02116	1.6
160.01616	1.0
161.02354	1.1
161.04532	0.5
163.03938	2.9
164.04712	1.2
165.01831	3.6
165.05484	1.4
166.02609	2.0
173.04385	0.7
175.03926	2.0
176.01068	1.5
176.64069	0.6
177.01846	30.0
178.02271	1.7
179.03416	1.3
181.04990	2.1
185.00883	0.9
189.01883	0.6
190.02602	1.3
191.03372	1.1
193.04994	1.6
195.02866	0.8
195.06422	0.8
205.04987	1.9
211.13359	0.7
222.74994	0.5
223.06128	0.6
225.03859	1.1
236.06071	0.6
255.02985	0.7
267.07242	0.9
269.04587	2.3
275.19376	0.6
284.03214	1.0
285.03925	3.4
287.04886	0.6
289.07184	0.8
293.04660	1.4
309.04169	0.7
315.07214	100.0
316.07574	6.1
325.62659	0.6
331.06528	0.6
339.07211	40.3
340.07605	3.2
356.79135	0.6
357.08304	1.0
362.14755	0.6
383.06198	37.3
384.06509	3.1
387.14557	1.5
401.07245	22.9
401.12564	1.1
402.07510	1.9
413.08908	0.8
417.15527	1.1
463.08667	0.6
597.23065	0.8
801.31720	13.9
802.32410	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68473	0.2
57.03321	0.3
59.01254	3.8
60.63747	0.2
61.98706	1.7
65.06345	0.3
67.01746	0.4
68.99687	0.3
69.03330	0.8
71.01249	2.6
71.59416	0.3
71.59811	0.3
73.02821	0.8
75.00756	0.8
77.26836	0.3
78.95783	0.4
81.03344	0.4
83.01256	0.7
84.02045	0.4
85.02811	2.1
87.00748	0.7
89.02321	1.0
93.03342	3.0
95.01280	1.0
95.04935	0.3
96.95892	2.4
99.00746	0.6
101.02319	1.0
107.04906	0.3
108.02045	2.9
109.02845	5.8
110.03165	0.4
111.00774	0.4
113.02329	1.6
115.00248	0.5
117.03363	0.4
119.03368	0.3
119.04920	0.6
121.02843	3.6
122.03632	1.1
123.00781	2.9
123.04406	1.2
124.01580	1.4
125.02382	2.0
129.01884	0.3
133.02835	0.8
134.03636	1.3
135.00786	0.8
135.04472	1.6
136.01561	51.5
137.02376	10.3
138.03008	0.3
139.00275	0.6
139.03935	1.7
143.04871	0.3
145.02847	0.9
147.04410	0.9
149.02332	1.7
149.05989	0.8
149.99510	0.4
150.03133	1.1
151.00296	10.3
151.03912	68.4
152.01068	3.7
152.04413	1.8
153.01828	5.6
153.05461	0.4
154.02534	0.4
158.03729	0.3
159.04411	1.3
160.01582	0.9
160.05208	1.5
161.02350	1.7
161.04520	0.3
161.05992	1.0
162.03162	1.2
163.03917	2.1
164.04755	1.4
165.01828	1.0
165.05461	1.0
166.02632	40.3
167.03395	3.0
168.00525	0.4
171.04503	0.3
172.05272	0.4
173.02385	0.8
173.06007	0.5
174.03197	0.7
175.03928	3.3
175.07599	1.6
176.01025	0.4
176.04697	1.4
177.01845	2.9
177.05438	1.6
179.03470	1.2
179.07083	0.8
181.04985	55.1
182.05299	1.4
184.03618	0.4
185.00818	0.4
187.03967	0.8
188.04625	0.6
189.05475	2.7
190.02690	1.7
190.06311	2.7
191.03433	3.2
191.05481	0.7
191.07088	1.0
192.04160	1.1
193.04944	1.6
194.05829	0.3
195.02872	0.9
195.06566	0.7
203.03436	0.4
203.07173	0.5
204.04263	0.5
205.04951	3.3
205.08675	2.2
205.81650	0.3
206.05792	2.8
207.06540	1.2
209.04462	0.4
209.11766	0.4
217.04997	0.5
218.05815	0.4
219.06593	0.8
220.07359	1.7
221.04631	0.5
221.08118	6.5
222.08281	0.3
223.06068	1.0
233.08179	0.5
266.05923	0.5
267.07037	0.5
269.04611	0.4
271.06143	0.8
279.06512	0.5
281.08304	0.3
282.05414	1.3
284.03311	1.0
284.06567	0.4
285.04007	3.3
285.07333	0.5
286.04431	1.3
287.04926	0.4
293.04608	1.2
294.05316	1.4
296.06955	0.5
297.07645	1.3
299.05579	0.5
299.09241	0.5
309.07806	2.0
311.05719	0.4
311.09207	0.9
312.06393	0.6
315.07257	4.3
316.07742	0.4
323.09192	0.4
324.09839	1.5
327.08688	1.3
327.12360	0.8
329.10349	2.6
331.06726	0.6
339.07645	0.5
339.12439	0.7
341.13962	0.5
342.11044	6.7
343.11847	0.9
354.11166	0.5
355.12396	0.3
357.09689	13.0
357.13498	32.2
358.10083	0.8
358.13794	2.8
369.13498	2.3
371.15073	2.2
372.12091	13.6
373.12759	1.6
383.06259	1.3
383.14420	0.3
386.13406	0.3
387.14487	100.0
388.14804	7.5
401.16071	1.7
402.13092	0.8
413.09201	0.6
417.15598	3.7
429.15366	0.4
446.27130	0.4
517.08496	0.4
567.22430	10.6
567.31360	0.7
568.22668	1.0
579.22656	1.2
597.23401	40.8
598.23767	4.8
741.26703	0.4
776.89398	0.3
801.31055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.188
Annotation	Quercetin 3-(2'''-feruloylsophoroside)
Peak:m/z	Relative Intensity
57.03326	0.6
58.26462	0.5
59.01251	7.9
61.98695	1.3
63.02275	0.8
65.00186	1.7
69.03310	1.4
71.01252	8.1
72.99187	0.9
73.02802	2.2
81.03323	0.6
83.01266	2.6
84.54643	0.5
85.02808	5.0
87.00749	1.8
89.02319	3.2
91.01781	0.9
93.03331	24.1
95.01256	2.1
96.95885	5.2
97.02814	1.3
99.00761	1.0
101.02311	3.4
107.01241	2.5
108.02045	34.8
109.02840	17.4
111.00735	0.7
113.02351	3.7
115.00267	0.6
117.03325	1.0
119.03349	0.8
119.04911	2.3
121.02850	3.5
123.00751	1.1
123.04414	1.8
124.01545	1.6
125.02327	3.5
129.01810	0.6
132.02051	1.1
133.02869	2.5
134.03639	3.6
135.00768	2.8
135.04419	2.2
136.01570	1.1
137.02336	37.0
138.02708	1.0
139.03836	0.6
141.04056	0.7
145.02838	1.9
147.00745	0.6
148.01572	1.5
149.02306	3.4
149.05942	0.9
149.99457	0.8
150.03082	2.4
151.00273	10.9
151.03867	2.7
152.01051	38.7
153.01839	20.5
155.03421	0.6
159.04375	0.9
160.01549	3.0
161.02318	1.6
161.04478	1.2
163.00262	1.9
163.03923	3.0
164.04663	1.3
165.01834	1.8
165.05452	1.9
166.02673	0.6
167.03432	0.8
168.00540	1.4
169.01331	1.4
175.00179	1.1
175.02458	1.1
175.03943	3.3
176.01143	0.9
177.01842	14.2
177.05463	0.6
178.99788	4.2
179.03308	1.3
181.04938	1.8
188.04832	0.6
189.01962	0.7
190.02762	2.5
191.03517	1.0
191.05544	2.1
193.01305	0.7
193.03435	0.8
193.04968	3.4
195.06537	1.4
199.03975	0.6
205.04996	2.1
223.06059	1.8
226.02573	0.8
227.03403	2.2
243.02922	6.0
245.04437	0.7
254.02228	2.0
255.02928	18.6
256.03473	1.8
267.07202	0.5
269.04517	5.2
271.02463	38.6
272.02893	3.4
283.02487	1.3
284.03192	1.3
285.03943	2.9
299.01898	1.3
299.07681	0.9
300.02731	82.0
301.03479	45.0
302.03854	2.3
315.07205	46.8
316.07462	1.8
317.06818	1.1
325.03668	0.9
337.09091	0.7
339.07196	21.3
339.11389	1.1
367.06525	0.9
383.06158	18.1
384.06281	0.6
401.07196	15.1
433.15268	0.7
463.08792	100.0
464.09036	9.4
478.99713	0.6
487.08902	0.7
531.07697	21.4
532.08087	2.2
605.25818	1.0
801.32007	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	800.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.5
60.99142	0.2
61.98699	100.0
68.39375	0.2
69.03322	0.2
71.01244	1.9
72.99184	0.5
73.02818	0.4
75.00762	0.2
79.66269	0.2
85.02840	0.9
87.00774	0.3
89.02338	0.7
90.02528	0.2
93.03345	0.5
95.01278	0.5
96.95883	1.6
98.96674	0.2
101.02312	1.0
108.02042	0.5
109.02847	0.6
113.02354	1.1
116.83080	0.2
116.92786	0.3
119.04917	0.2
125.02355	0.6
125.09643	0.4
134.03674	0.6
135.04408	0.4
137.02379	0.6
141.04088	0.4
149.02370	0.6
150.03104	0.2
151.03844	0.2
152.01108	0.6
153.01831	0.7
160.01593	0.7
161.04521	0.2
164.04727	0.4
165.05540	0.5
168.00555	0.2
171.87495	0.2
175.03947	0.6
177.01855	0.3
178.02687	0.3
179.05562	0.5
185.11766	0.5
190.02689	0.2
193.05064	0.5
205.05023	0.6
207.13828	0.7
209.11824	0.5
211.13435	0.5
223.06052	0.5
233.15492	0.4
235.08028	0.2
235.13507	0.4
257.63702	0.2
267.07193	0.3
267.74213	0.2
277.06659	0.2
285.04022	1.1
315.07318	0.4
331.06799	0.3
397.13675	0.2
403.24881	0.3
460.15646	0.3
467.59470	0.2
782.37421	0.7
783.38593	0.9
800.37408	0.6
801.38660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	14.8
60.74395	0.2
69.28223	2.5
71.01246	1.8
73.02834	0.3
79.62766	0.2
83.01231	0.2
85.02833	0.5
87.00755	0.3
89.02304	1.2
95.54138	0.2
101.02327	1.5
113.02302	0.9
119.03371	0.5
155.10641	0.3
161.04427	0.9
167.10648	0.6
167.14307	0.5
179.05606	0.6
183.13824	5.2
193.12227	1.0
211.13327	100.0
212.13669	5.3
214.94675	0.2
235.08194	1.8
253.09259	5.7
277.21701	49.9
278.22043	4.2
298.68707	0.2
429.21234	1.3
447.22318	9.1
448.22556	0.8
460.61710	0.2
513.30688	0.6
707.43860	0.6
743.41980	0.3
747.56494	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	7.7
61.98701	8.9
71.01257	4.5
73.02802	1.1
78.95770	1.1
83.04880	1.0
84.55627	0.7
85.02806	0.9
87.00730	0.8
89.02315	2.9
96.95938	1.1
97.02827	2.2
99.00719	0.8
101.02327	3.5
107.08679	0.7
111.08046	2.8
113.02324	1.8
119.03430	0.8
125.02370	1.5
135.04416	0.8
137.09665	1.0
140.41849	0.7
149.02328	1.2
151.03871	0.7
161.04443	1.6
163.11255	1.0
165.12787	1.5
165.30888	0.7
169.12221	1.8
171.10229	1.6
181.12279	1.6
183.13834	6.0
185.11807	1.5
193.12265	2.7
197.11778	14.8
199.13364	2.1
209.11787	6.8
211.13333	100.0
212.13719	4.2
227.12851	3.2
235.08148	3.2
247.20706	1.0
253.09239	13.3
255.35240	0.8
273.18430	0.9
277.21603	1.2
277.31009	0.8
279.85449	0.8
280.81543	1.1
289.07257	1.0
291.19678	19.7
292.19980	1.5
293.21210	7.6
296.63535	0.8
309.20691	42.7
310.20959	2.6
447.22458	6.7
463.79965	0.8
545.29248	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.422
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
59.01222	3.3
61.98692	2.7
66.90924	1.5
70.86751	2.2
70.87080	2.4
71.01252	2.8
75.00742	17.9
78.95773	71.8
80.96376	13.4
81.03270	1.6
83.04892	4.0
94.97952	3.2
96.96842	15.6
125.09610	5.2
127.11142	3.5
152.99467	15.1
154.00133	1.4
163.11183	2.1
164.98491	3.7
165.09096	1.9
165.12698	2.9
171.10129	4.2
201.11244	47.0
202.11473	2.2
209.11758	48.7
210.12032	1.7
211.13289	5.7
223.00023	5.0
225.00653	4.2
225.11215	2.6
227.12759	3.3
241.01123	33.9
243.12160	1.8
255.23228	36.6
259.02094	3.0
277.21741	10.3
363.76886	1.6
381.13031	1.7
709.38654	2.8
781.40881	8.8
792.95776	1.7
799.42242	100.0
800.42517	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	799.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.9
59.01249	38.4
61.98696	9.2
65.03822	4.2
69.03312	5.5
71.01250	37.8
71.07358	1.1
72.99185	6.1
73.02805	5.5
75.00734	2.0
81.03345	1.7
83.01263	6.5
83.04900	2.9
85.02816	9.6
87.00752	6.6
88.98662	2.0
89.02315	22.4
91.05357	1.5
92.92657	5.1
93.03319	2.8
95.01242	4.9
95.04867	2.2
96.95867	4.6
97.02806	4.5
97.06443	3.2
99.00751	3.4
101.02317	23.1
109.02819	5.2
109.06476	3.1
111.00764	1.5
111.08048	1.5
113.02339	15.1
115.05393	3.2
119.03365	4.8
119.04890	2.4
121.02831	1.3
123.00761	2.8
123.04430	1.6
123.08063	2.9
124.01532	5.9
125.02337	25.3
125.09613	13.2
131.03317	1.8
134.03552	2.2
135.00775	1.6
135.04410	1.8
135.08051	1.9
137.02325	3.9
141.01717	1.2
143.03375	2.2
145.02780	1.6
149.02341	2.9
149.05884	1.2
149.99492	9.2
151.00285	2.8
153.01814	6.6
160.27081	1.3
161.04437	3.5
163.03914	1.9
163.11125	1.6
164.04723	2.1
165.12682	1.3
167.03308	2.5
168.00543	23.0
169.01306	2.4
171.10167	3.1
175.04004	1.3
177.01727	1.4
179.05472	4.8
179.06924	1.4
179.10577	1.4
185.11748	2.5
187.09613	2.7
187.14827	7.2
190.02606	3.4
193.04887	1.6
203.14366	1.7
205.04999	2.9
207.10278	2.9
209.11795	10.3
211.13350	2.8
213.12692	6.3
221.06590	4.3
223.06003	3.1
225.11217	1.7
231.13805	19.7
233.11800	2.6
235.08136	1.8
235.13255	1.8
249.14845	3.1
284.03061	1.9
285.03998	4.2
313.05646	3.2
329.24847	2.1
331.06680	36.1
332.06915	2.5
335.35672	1.4
339.23267	3.0
357.24203	2.1
360.98816	1.3
365.21146	2.6
373.23532	2.8
379.12134	1.3
383.22281	11.2
391.24866	2.8
397.13416	7.3
399.05521	8.6
401.23291	15.3
402.23563	3.7
415.14465	1.4
419.24377	8.3
484.03629	1.4
771.37152	2.6
781.36444	100.0
782.36713	15.4
799.38922	21.1
800.38220	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	799.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.2
59.01250	1.7
63.02261	1.5
63.02520	0.1
65.00186	1.2
69.47929	1.2
69.48337	0.4
71.01258	1.3
72.99207	0.3
73.02818	0.5
75.00761	0.2
75.73759	0.2
81.03350	0.3
83.01262	0.9
85.02848	0.7
87.00782	0.3
89.02331	0.5
93.03330	1.1
95.01265	0.4
96.95912	0.8
99.04375	0.2
101.02332	0.5
105.03349	0.7
107.01259	2.2
107.01835	0.2
108.02070	1.2
109.02831	2.4
113.01575	0.2
113.02345	0.6
119.01301	0.4
119.03444	0.2
119.04929	0.2
121.02842	1.5
123.00779	0.2
125.02351	0.7
132.02121	0.3
133.02852	7.1
134.03603	0.7
135.00748	0.3
135.04425	0.7
137.02350	1.4
139.03899	0.2
145.02902	0.3
147.00856	0.2
147.04433	0.4
149.02351	2.8
149.99490	0.2
150.03117	0.7
151.00282	4.8
151.03896	0.4
152.01073	1.2
153.01848	1.5
153.08806	0.2
157.06580	0.2
159.04384	0.3
160.01567	0.4
161.02354	0.6
161.04477	0.2
162.03152	0.2
163.03940	0.3
164.04684	0.8
165.01801	0.3
165.05396	0.2
166.02629	0.2
168.00548	0.4
169.01323	0.3
169.06494	0.3
171.04483	0.5
173.05971	0.4
174.03047	0.3
175.00323	1.4
175.02461	0.3
175.03906	3.1
176.01056	1.1
177.01837	1.5
185.06013	0.7
187.03897	0.2
187.11366	0.2
189.05559	0.2
190.02658	3.4
191.03400	1.1
191.05019	0.2
193.05009	0.5
197.05986	0.5
198.03130	0.4
199.03931	2.7
201.01756	0.9
201.05489	0.2
205.05046	1.5
205.12288	0.3
209.11853	0.2
211.03931	0.4
213.05522	0.6
215.03421	0.5
217.04999	1.5
223.04117	0.2
223.06084	0.5
226.02580	0.2
227.03426	0.3
229.05070	0.3
239.03311	0.4
240.04257	0.5
241.05058	0.7
242.02150	0.3
243.02979	1.0
255.02980	0.5
256.03714	0.6
257.04547	0.4
267.02866	0.2
268.03970	0.2
269.04532	0.2
283.02567	0.4
284.03250	13.2
285.04025	100.0
286.04343	6.2
286.07370	0.4
299.05594	21.2
300.02728	0.3
300.05859	1.3
315.07275	1.7
331.06650	0.5
339.07254	0.3
383.06073	0.4
401.06891	0.2
431.13766	0.4
499.14810	0.9
575.14197	0.3
593.15643	0.2
799.20764	25.5
800.21155	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	799.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.8
57.20554	1.3
59.01248	30.7
59.29404	1.4
61.98681	1.8
69.03326	8.3
71.01247	17.7
71.58794	2.6
72.99165	5.0
73.02808	3.7
75.00757	3.2
75.08655	1.5
83.01242	4.1
83.04904	2.0
85.02808	11.6
87.00743	4.4
88.98670	2.9
89.02312	9.2
91.01757	1.5
91.14968	1.8
92.60033	1.5
93.03329	16.0
94.27928	1.5
95.01257	6.3
96.95880	26.5
97.02811	4.8
98.95457	4.7
99.00748	4.3
101.02314	11.2
107.04925	2.2
108.02045	68.5
109.02841	26.5
111.00706	1.9
113.02314	10.3
117.03370	14.7
119.03394	2.1
119.04913	34.6
120.05241	1.9
121.02826	6.1
123.00729	2.5
123.04404	3.9
124.01511	2.3
125.02326	11.0
129.01801	2.8
132.02029	3.5
133.02856	7.8
134.03629	17.6
135.00819	3.6
135.04431	11.0
136.01552	2.2
137.02351	24.2
139.03883	2.3
141.04036	6.6
145.02856	59.3
146.03157	2.3
147.04404	1.6
149.02365	13.2
149.05969	4.0
150.03014	5.2
151.00279	4.9
151.03914	3.0
152.01050	100.0
153.01837	40.2
154.02126	1.6
158.03682	1.6
160.01585	10.9
160.16748	1.8
161.02306	6.5
161.04468	2.2
161.05861	1.5
163.03923	27.4
164.04756	8.2
165.01790	3.5
165.05406	5.8
167.03389	4.3
168.00493	1.7
169.01385	1.7
173.04466	3.6
175.00249	4.4
175.02525	2.4
175.03886	10.7
176.04581	1.7
177.01872	8.8
177.05525	1.9
178.02559	3.1
179.03442	6.3
179.06970	2.1
181.04985	4.1
181.08675	1.6
187.03984	2.7
190.02585	9.3
191.03181	2.0
191.05605	8.2
191.07051	2.5
193.04970	10.6
194.05386	1.9
195.06529	2.9
197.04504	2.9
205.04941	9.5
205.12157	1.5
211.08456	1.6
223.06114	11.0
224.06329	3.6
235.06067	1.8
265.07071	1.9
267.07043	2.3
269.04517	3.5
270.05341	2.0
285.03891	7.2
285.07339	3.6
297.06027	6.3
299.05356	1.8
303.09290	2.8
307.08115	7.5
315.07205	23.1
316.07834	1.9
331.06686	3.6
339.07120	5.7
359.14975	5.3
360.15543	1.9
383.06168	5.0
401.07095	2.9
447.12747	2.2
461.10748	18.4
575.13708	1.7
599.24976	7.1
605.15179	2.0
616.66980	1.6
623.16083	53.0
624.16382	7.8
683.39734	1.9
799.19067	25.8
799.33783	6.3
800.19666	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	799.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.0
59.01251	9.5
69.03322	4.8
69.57909	5.5
71.01254	6.8
72.99196	1.8
73.02827	1.6
75.00751	2.2
81.03352	0.8
83.01246	1.0
85.02824	6.4
87.00729	1.9
88.33216	0.6
89.02326	3.3
93.03333	6.7
95.01258	2.1
96.95883	4.3
97.02856	2.4
98.19825	1.5
99.00768	1.5
99.04387	0.8
101.02344	2.5
102.84066	0.7
107.01300	1.2
107.04810	0.6
108.02054	63.4
109.02860	19.2
111.00739	1.0
111.04430	1.5
113.02327	4.9
117.01954	0.7
117.03344	17.4
119.03476	1.0
119.04921	29.1
120.05231	1.2
121.02853	3.2
122.03720	0.8
123.00755	2.4
123.04411	1.6
123.09229	1.0
124.01578	0.8
125.02326	6.4
129.01810	0.9
132.02074	2.6
133.02858	4.8
134.03636	7.9
135.00807	1.8
135.04436	4.4
136.01463	1.0
137.02353	6.7
139.00328	0.9
141.04065	1.7
145.02855	81.2
145.08569	1.3
146.03175	3.8
147.04427	1.1
149.02348	5.7
150.03162	4.8
151.00227	4.3
151.03914	2.2
152.01056	100.0
153.01855	34.1
154.02196	1.6
155.03383	0.9
159.04419	1.1
160.01578	13.5
161.02362	5.5
163.03915	22.9
164.04701	3.5
165.01842	2.0
165.05461	4.7
166.02577	1.9
166.05882	0.7
167.03400	2.4
168.00481	1.2
173.04495	2.1
175.00426	1.5
175.02472	1.1
175.03909	9.4
177.01791	2.0
178.02554	0.8
179.03406	2.2
179.07054	1.5
180.04167	1.4
181.05013	1.1
187.03943	1.3
190.02631	5.6
191.05470	3.5
193.04958	4.1
195.06630	3.9
205.05038	6.1
205.06906	1.2
213.05438	1.0
223.06027	3.9
225.07733	0.9
249.06178	1.4
267.07153	2.1
283.06186	0.9
284.03189	1.0
285.04007	1.7
285.07492	1.0
286.04172	0.7
297.06213	6.1
301.03653	0.9
307.08249	10.3
309.08197	1.0
311.05594	2.1
315.07193	6.0
323.07822	1.7
329.13873	1.2
331.06934	1.0
337.09296	1.2
343.11713	0.8
417.11789	1.8
461.10806	22.0
462.10995	2.1
475.05841	1.2
475.12424	15.8
476.12903	1.1
577.26666	7.6
578.16516	0.8
605.14893	1.2
623.16187	31.9
624.16077	3.1
799.20618	45.2
799.33984	2.0
800.20862	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	799.194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.2
59.01250	40.1
62.89640	0.7
65.39881	0.6
68.99670	0.7
69.03305	0.8
71.01258	4.8
71.57600	0.7
71.58000	1.0
72.99171	1.4
75.00748	1.6
83.01256	0.8
85.02808	3.3
87.55264	0.6
89.02307	0.9
91.01762	10.0
93.03333	25.8
94.03683	1.3
94.37598	0.6
95.01246	1.1
96.95898	2.4
99.00757	1.5
101.02330	1.9
107.04910	2.5
108.02047	1.3
109.02879	0.6
111.00747	0.7
113.02326	3.0
119.01277	5.1
119.04903	0.7
121.02839	12.9
123.04385	0.7
125.02332	1.2
133.02856	0.7
136.01563	0.6
137.02336	41.0
138.02737	0.8
141.04115	1.7
149.02338	2.6
150.03050	1.0
151.03911	100.0
152.01050	1.8
152.04298	3.1
153.01849	1.5
159.51767	0.6
160.01556	0.6
161.02284	1.3
161.04446	0.8
163.52565	0.6
167.03386	1.4
168.00598	0.8
173.04465	0.9
175.02484	0.6
175.03891	1.2
179.03433	1.3
181.05017	1.4
191.03342	0.8
191.05508	2.0
193.05014	1.0
205.05080	1.1
223.06206	0.9
253.90149	0.7
263.05698	1.8
267.07291	1.0
268.03830	1.3
269.04544	5.1
281.06662	18.1
282.06967	1.1
285.04102	1.0
323.07791	5.9
593.17731	1.6
683.31812	0.7
723.21704	1.5
799.35620	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.2
61.98699	3.5
71.01257	3.2
71.29025	2.4
72.99173	2.7
78.95797	1.4
83.01261	1.4
83.04860	1.3
87.00722	2.1
89.02328	2.6
93.05783	1.4
96.95885	3.1
97.06524	1.3
101.02325	3.6
107.57017	1.2
123.04485	1.6
125.09612	2.0
167.14397	1.3
171.10165	1.6
183.13747	6.4
185.11714	2.9
191.14293	2.0
198.11180	1.3
207.10217	3.0
209.11798	11.2
211.13329	100.0
212.13667	5.5
225.11111	1.1
227.12799	1.7
235.08221	4.0
240.31392	1.1
245.19080	3.6
253.09242	8.1
277.21790	2.1
289.15216	1.4
289.18115	18.3
291.19534	1.9
294.26279	1.1
307.19174	15.1
309.20676	2.9
327.05679	1.2
447.22321	5.2
621.32458	2.6
640.15167	1.3
737.41180	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.9
58.00462	1.1
59.01249	100.0
60.01591	0.7
61.98697	4.1
68.41591	0.7
69.03330	2.2
69.26613	7.3
71.01251	45.9
72.99181	4.2
73.02817	12.5
75.00761	2.0
81.03326	1.2
83.01250	7.2
85.02821	21.4
85.99987	2.0
87.00758	8.4
87.04392	1.3
88.98704	3.1
89.02315	12.1
93.03324	1.0
95.01264	6.6
96.95905	2.9
97.02827	5.5
97.06416	0.8
99.00756	5.4
101.02320	24.2
101.91425	0.7
103.75962	0.6
109.02823	1.1
111.00768	2.2
112.01572	2.2
113.02329	23.9
115.03902	1.4
119.03395	3.9
121.02853	1.3
123.00761	0.8
123.04362	1.0
124.01557	5.0
125.02336	17.0
129.01840	0.9
134.03615	1.4
137.02390	1.6
139.00232	0.8
141.04100	0.8
143.03391	7.4
149.02365	2.7
150.03142	0.9
152.11322	0.9
153.01813	1.5
159.02957	1.4
160.01686	1.0
161.04507	4.5
164.04721	1.3
168.00560	1.6
169.22758	0.8
174.01596	4.4
175.03908	1.4
179.05646	1.2
190.02747	1.0
191.03195	0.8
193.05025	2.0
205.04965	1.0
209.11809	1.5
211.13461	1.2
223.06039	1.7
284.03226	1.1
285.03802	1.6
289.07089	0.9
299.25931	2.3
301.27371	3.2
307.19220	1.3
324.14310	0.7
328.15317	0.7
331.06567	1.2
343.28897	0.8
377.55145	0.7
415.14462	0.8
445.31540	6.5
446.31903	1.1
463.32767	11.5
464.33353	1.0
541.34204	0.9
553.33783	1.9
571.35059	3.3
589.35925	24.6
590.36584	2.9
607.36975	65.6
608.37415	8.3
623.35168	0.9
625.38055	24.4
626.38556	3.1
649.38031	16.4
650.37854	1.5
654.80292	0.8
667.39099	33.7
668.39410	5.3
709.40173	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	795.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	20.2
61.98666	1.4
69.61783	2.7
69.62189	5.7
71.01254	6.6
75.00730	2.6
77.45042	1.3
78.95765	3.2
80.96375	1.1
81.03336	1.7
83.04896	5.0
85.02815	7.7
87.00740	1.6
89.02311	3.4
89.50816	1.3
98.20519	2.5
101.02312	5.0
109.06474	2.2
111.04365	1.3
113.02320	1.8
117.87939	1.3
142.02577	1.6
171.10165	4.6
177.12822	6.5
177.14098	1.2
195.13843	1.9
221.11760	66.4
222.12053	3.6
235.08163	4.9
239.12830	32.1
253.09279	10.9
255.23329	1.7
277.21698	100.0
278.21982	7.1
455.23685	1.5
457.20871	3.7
475.21710	5.6
572.16138	1.6
735.43103	10.1
736.43408	1.3
773.00970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.7
58.00457	1.0
59.01247	100.0
60.01584	1.1
60.99166	1.6
61.98698	2.0
69.03326	2.6
71.01247	37.0
71.58440	1.0
72.99186	2.5
73.02811	9.2
75.00741	1.6
81.03356	1.6
82.78297	0.6
83.01255	8.8
85.02818	18.6
85.99980	2.0
86.03146	0.6
86.21016	0.6
87.00748	4.4
88.98679	4.7
89.02318	6.1
93.03342	1.8
95.01270	5.9
96.95879	4.9
97.02824	5.9
99.00748	4.8
101.02318	19.4
102.28490	0.7
102.49330	0.6
108.02058	2.8
109.02855	2.5
111.00768	3.4
112.01547	2.8
113.02329	18.5
115.03913	1.2
119.03417	2.2
119.04932	1.3
121.02856	1.8
123.00787	1.2
123.04453	1.4
124.01563	7.4
125.02337	18.5
129.01851	0.9
133.02899	0.9
134.03658	2.6
135.00827	0.8
135.04404	1.3
137.02359	2.7
139.21024	0.6
141.01799	1.2
141.04065	0.9
142.02704	1.0
143.03409	6.7
145.02840	0.9
149.02357	3.7
149.99513	1.5
150.03159	1.4
151.03946	1.4
152.01108	2.5
153.01849	4.3
159.02960	2.3
160.01598	2.3
161.02414	0.8
161.04460	3.8
163.03896	1.4
164.04694	2.1
165.05449	1.6
165.12740	0.7
166.06215	0.7
167.03531	1.1
168.00597	2.5
174.01700	0.8
175.02402	1.1
175.03915	1.8
177.01906	0.8
179.03471	0.8
179.05547	1.0
179.07025	1.0
181.08714	0.6
190.02672	2.0
193.05072	2.5
194.05449	0.6
195.06642	0.9
205.05019	1.3
209.11758	0.8
211.06155	0.6
223.06155	1.8
247.16975	0.7
248.46812	0.6
267.07071	1.0
269.04492	1.4
284.03296	1.0
285.04001	4.7
286.04495	1.0
289.07233	0.8
299.25928	0.8
301.27493	2.7
315.07303	1.4
331.06586	4.0
353.10382	1.0
399.05740	1.2
433.49628	0.8
445.31708	5.8
463.32700	8.6
464.33185	1.0
526.35175	0.7
529.33905	0.8
541.34143	1.3
553.34155	3.0
559.34851	0.9
571.34875	4.3
589.35852	24.0
590.36475	3.2
607.36938	54.8
608.37402	7.4
613.36017	1.2
625.37988	20.2
626.38269	3.6
649.38007	12.8
650.38654	1.8
667.39044	24.4
667.49860	1.4
668.39587	4.0
709.40466	2.4
737.40222	0.9
797.30975	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.0
65.22066	2.0
68.41451	2.0
71.01254	24.8
73.02830	2.4
85.02816	3.0
89.02306	4.0
98.20555	4.4
99.00771	3.5
101.02328	5.0
109.06459	4.1
113.02322	3.1
125.09629	2.3
127.11163	3.5
158.33730	1.9
161.04491	3.8
163.11215	3.0
171.10178	52.7
172.00159	2.3
172.10571	4.5
181.08562	3.3
181.12271	4.8
194.53429	2.0
199.09671	29.0
199.13304	4.6
201.11258	43.3
207.10239	21.1
216.86502	2.2
223.09677	3.5
225.11250	38.5
229.29942	2.7
235.08205	4.7
243.12358	4.2
253.09201	15.5
277.21701	100.0
278.22141	6.9
350.29327	2.0
407.18643	2.5
435.18799	7.6
461.20197	16.1
462.20401	2.7
479.21368	3.7
524.84485	2.2
621.27295	23.3
622.27521	5.2
695.40253	7.2
721.41833	10.9
722.42389	2.9
739.42365	7.5
757.44098	13.2
775.41553	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	795.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83201	0.4
57.01149	0.4
57.03345	0.4
59.01249	100.0
60.01571	0.8
70.00877	2.0
71.01241	2.6
73.02809	0.6
85.02836	0.5
87.00729	0.7
89.02304	2.3
97.02847	0.6
101.02325	1.7
113.02342	0.8
117.65560	0.4
119.03346	0.6
125.02344	0.9
128.41438	0.4
129.96796	0.4
141.01593	59.5
142.01984	1.2
161.04460	0.6
171.10242	1.1
179.05519	0.6
179.98738	0.4
185.30054	0.5
253.09023	0.7
255.23224	6.6
277.21753	1.5
337.23569	5.0
397.13470	10.5
415.14365	2.2
419.11639	2.2
437.12906	2.3
469.06281	1.2
653.37427	1.4
675.35846	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	793.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	14.6
71.01253	26.1
73.02811	2.3
73.89465	1.3
78.95737	1.3
85.02823	1.8
87.00711	1.8
89.02306	4.9
99.00740	2.7
101.02318	5.2
103.91930	1.8
108.62798	1.2
109.06474	4.6
113.02358	3.0
125.09605	1.4
127.11189	2.5
127.14063	1.3
130.68338	1.3
161.04483	4.5
163.11174	3.2
171.10170	28.5
171.94490	1.4
181.08589	2.3
181.12189	3.0
199.09686	23.8
199.13327	3.5
201.11259	28.6
207.10178	17.9
215.12831	2.6
217.14355	1.7
223.13306	1.7
225.11240	24.7
233.91986	1.4
235.08173	7.7
243.12352	3.5
253.09232	11.8
277.21719	100.0
278.21991	9.2
291.19666	2.8
294.70459	1.3
315.05203	2.1
435.18713	4.5
443.19064	2.5
461.20160	5.5
533.13245	1.9
695.39575	6.5
721.42242	7.7
722.42572	1.7
739.42438	6.9
750.32269	1.5
757.43579	10.8
758.44684	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	793.33
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30917	1.5
57.03284	1.1
57.90370	1.2
58.81552	1.2
59.01245	22.4
67.01756	1.1
69.03325	2.5
69.50242	6.1
69.50650	3.0
71.01257	17.6
72.99150	1.4
73.02822	2.5
75.00745	2.5
83.01254	1.8
85.02824	5.8
87.00731	3.9
88.03915	2.1
89.02318	7.3
93.03323	3.8
94.06503	1.6
95.01231	2.8
96.95871	9.2
98.19810	2.8
99.00746	2.9
101.02314	6.2
108.02030	3.6
109.02825	4.1
110.05976	2.4
113.02314	8.3
115.00245	2.9
119.03393	1.3
119.04900	1.3
120.01244	1.3
120.08044	4.1
121.02779	2.5
122.05997	13.4
123.00767	1.5
123.04465	1.4
125.02328	4.5
132.02005	1.3
133.02853	2.3
134.03651	5.7
134.05983	2.8
135.00797	1.5
135.04387	3.3
136.01567	2.1
136.07553	2.2
137.02373	7.8
141.04054	2.3
144.04451	1.4
145.02863	2.8
147.04462	1.6
149.02304	6.4
149.04417	1.3
149.06004	1.6
150.03169	6.0
151.00262	2.0
151.03879	3.6
152.01039	4.7
152.62549	1.4
153.01825	6.8
160.01505	4.2
161.02370	2.9
161.04529	2.7
162.03101	1.6
162.05501	1.4
163.03848	3.1
164.04709	3.5
165.01759	2.1
165.05441	5.3
167.03372	1.3
168.00601	2.0
173.04518	2.7
174.05511	3.9
175.00224	1.7
175.02496	2.9
175.03925	5.3
177.01804	1.8
178.02509	1.5
179.03304	1.7
180.04047	2.1
181.04875	1.4
185.06056	1.6
190.02577	3.8
191.05469	2.2
193.04977	6.7
194.05420	1.7
195.06496	4.4
205.04947	4.7
209.11848	3.1
213.10239	2.1
215.11815	2.6
220.73811	1.4
223.05991	4.1
237.10216	5.4
239.11880	1.8
241.13362	3.7
241.74500	1.3
250.07643	1.3
251.08003	2.2
251.11871	4.7
263.08255	2.9
263.11737	2.0
264.09000	6.3
265.09668	3.7
267.07205	2.8
270.32086	1.2
276.09189	1.4
277.09763	4.6
278.10406	2.9
279.11227	2.4
281.09140	1.9
282.10184	1.3
285.04169	5.9
285.07031	1.6
286.04196	1.3
287.13892	5.6
291.11334	3.9
292.12079	4.1
293.12891	5.2
304.08514	1.5
305.09290	1.4
319.10867	2.7
326.78903	1.3
332.99646	1.6
336.11044	2.0
342.12408	2.5
342.16208	1.6
343.13138	2.5
344.13977	2.0
345.14636	1.6
351.13562	2.3
356.13998	1.3
358.15555	4.2
359.16400	1.9
360.17212	2.2
370.11731	5.4
371.12259	1.6
372.13242	3.7
372.17194	4.8
373.17990	1.5
374.18613	2.6
383.12375	1.5
384.13324	2.8
385.14142	6.7
386.15103	9.8
387.15536	3.6
389.12430	1.6
396.08557	1.3
396.17471	1.5
398.14902	4.3
399.15836	4.7
400.16489	6.8
413.17053	2.1
414.18140	8.5
415.18768	3.0
418.17697	8.6
419.18140	2.6
426.14694	8.7
431.14255	2.1
440.15955	1.7
441.16791	4.8
442.17743	1.6
458.17035	3.2
472.18869	2.5
473.19635	17.2
474.19812	5.7
483.24149	1.4
492.21353	3.0
495.24158	3.0
505.18213	3.6
508.20834	3.5
513.24963	4.4
537.24701	3.5
539.22528	1.6
555.26086	5.5
559.25269	1.3
561.23553	2.6
581.24060	6.2
595.25610	7.4
599.25220	14.4
600.25391	2.1
613.26630	100.0
614.26776	18.4
631.27710	45.5
632.27850	9.4
673.28723	23.0
674.28741	3.7
701.25702	1.6
703.29205	2.3
705.79346	1.3
733.30322	4.9
793.31268	3.9
794.31250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.4
59.01248	15.7
61.98700	1.9
63.43161	0.8
66.14127	1.0
69.32256	0.8
69.32573	8.6
71.01247	11.6
72.99189	2.3
73.02814	1.5
75.00763	0.9
78.80338	0.7
79.15545	0.8
79.37218	0.8
83.01264	1.2
85.02809	4.0
87.00755	2.4
89.02312	6.3
93.03331	2.4
94.06516	1.9
95.01279	1.3
96.95878	5.3
98.20560	1.9
99.00783	1.1
101.02330	4.7
108.02060	1.3
109.02850	3.2
110.06003	2.7
113.02316	4.2
115.00222	1.3
119.03396	2.4
119.04931	2.1
120.08076	3.8
121.02814	1.1
121.05231	1.1
122.03605	1.0
122.06012	15.6
123.06411	1.0
125.02355	2.3
133.02827	0.9
134.03653	3.6
134.05971	3.3
136.07599	1.5
137.02345	3.6
141.04083	2.0
144.04448	1.1
149.02351	3.2
150.03145	3.7
151.00285	0.8
151.03922	2.5
152.01048	1.8
153.01811	3.5
159.02867	1.0
160.01563	2.5
160.04050	0.8
161.04581	2.0
162.05508	1.3
163.03880	1.9
164.04703	1.7
165.01805	1.8
165.05515	2.5
168.00566	1.1
171.10298	0.9
173.04646	1.7
174.05582	4.6
175.02382	2.4
175.03938	3.3
175.07549	0.8
176.04460	0.9
177.05447	1.1
178.02742	0.9
179.03427	2.0
180.04079	1.0
181.04880	1.4
190.02684	2.1
191.05504	2.0
193.04990	5.9
194.05685	0.8
195.06541	3.5
203.05702	1.2
205.05003	2.2
207.67830	1.0
209.08231	1.6
209.11810	3.2
215.11922	1.6
223.06046	3.4
223.08360	1.3
225.07201	0.7
225.10312	0.9
227.11969	0.9
236.09244	1.1
237.10316	5.4
238.11043	1.5
239.11870	1.9
241.13435	3.8
243.14943	1.7
249.06160	1.0
250.11148	0.9
251.08162	1.6
251.11792	4.9
253.09454	1.2
263.08154	2.5
263.11847	1.0
264.08957	5.9
265.09875	4.4
267.07687	1.4
269.04330	1.1
276.09073	2.3
277.09814	4.0
278.10617	3.4
279.11337	1.5
281.09430	0.8
282.09848	1.0
283.10831	2.0
285.04007	2.8
285.12424	1.4
286.04651	0.9
287.14090	2.3
291.11331	5.2
292.12155	3.9
293.12811	6.9
295.10724	1.0
296.11783	1.3
300.02905	0.9
304.08621	1.0
305.09402	0.9
309.12335	0.9
310.09360	1.1
311.10156	1.4
319.10861	3.8
324.11380	1.1
330.12445	1.2
335.10257	1.5
337.11935	1.7
342.12408	3.0
343.12848	2.1
344.13995	1.5
351.13354	2.4
356.14056	1.5
357.14893	1.2
358.15460	5.8
359.16193	1.6
360.17230	1.9
370.11713	5.0
371.12900	2.1
372.13095	1.2
372.17398	4.8
373.13748	1.0
373.17926	3.2
374.18646	1.9
383.12323	1.1
384.13455	3.3
384.17755	1.1
385.14145	4.8
386.14890	6.9
387.15918	2.0
389.12308	1.5
390.18250	1.1
396.17120	1.3
397.18173	1.0
398.15314	4.8
399.15625	2.6
400.16577	4.5
405.17068	1.5
413.17297	2.5
414.18115	9.8
415.18677	2.4
417.17221	0.9
418.17828	7.6
419.18130	1.3
426.14520	7.0
431.14825	1.2
432.19452	1.4
436.18716	1.7
440.16156	2.4
441.16800	3.7
458.17319	2.2
462.20309	1.3
472.18576	3.1
473.19476	13.3
474.20374	4.2
476.18188	1.4
477.19150	1.6
490.20096	2.6
492.21094	3.0
495.24127	1.7
505.18680	4.8
508.20895	6.4
509.21500	1.4
513.25159	5.1
537.25171	3.4
539.08496	0.8
539.22919	3.0
540.23651	1.5
555.26428	5.1
556.26514	1.6
557.23730	1.0
558.24243	1.1
559.25641	1.0
561.23126	5.4
562.24292	1.4
581.23975	9.8
582.23999	1.5
583.25641	1.4
587.27783	1.0
595.25708	7.7
599.25085	17.8
600.25372	2.8
613.26605	100.0
614.27008	15.6
614.36505	1.8
631.27679	47.7
632.28223	7.8
655.28198	1.7
673.28711	15.3
674.29114	2.6
703.29382	1.3
733.31354	2.0
757.28845	1.4
762.25061	1.1
793.30426	2.8
794.28864	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	793.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.2
59.01251	1.2
61.98703	0.6
65.62130	0.2
71.01241	0.5
71.57382	0.2
71.57760	0.3
73.02811	4.8
74.02341	0.3
74.43147	0.2
75.00743	2.5
87.00754	0.5
89.02313	0.8
91.92001	0.2
92.92767	0.8
99.00737	2.6
99.92453	9.9
100.92474	0.5
101.02340	0.2
106.19081	0.2
108.92274	0.4
114.93295	0.6
115.03861	0.3
116.03407	0.6
116.92738	100.0
116.97122	3.4
117.01817	10.3
117.02710	0.2
117.05466	1.2
117.92747	4.4
183.42201	0.2
201.11224	0.2
209.11763	0.4
211.13358	0.2
253.09218	0.4
277.21719	0.7
291.19748	0.3
293.21194	0.7
369.39883	0.2
397.13385	0.8
455.05103	0.8
627.84790	0.2
733.27350	0.3
793.41168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.1
59.01253	24.0
61.98685	2.8
69.03327	3.2
71.01254	21.9
71.58548	1.9
72.99181	2.5
73.02814	3.7
73.84391	1.5
75.00739	2.0
83.01265	3.6
83.04866	1.5
85.02828	6.7
87.00746	7.0
88.03905	2.6
88.98677	1.9
89.02308	11.6
91.01759	1.6
93.03350	4.5
94.06516	2.2
95.01247	3.1
95.04858	2.0
96.95895	17.3
99.00749	3.5
101.02337	7.2
103.61056	1.8
108.02101	4.3
109.02830	3.8
110.06001	3.2
113.02347	6.9
115.00239	3.9
119.03387	2.8
119.04891	2.1
120.08089	3.4
121.02854	3.2
122.03648	2.0
122.06010	13.7
123.00746	2.0
123.04388	2.0
124.01569	2.4
125.02327	7.6
131.03365	2.4
132.79282	1.4
133.04974	1.7
134.03613	5.2
134.05989	1.9
135.00748	4.5
135.04413	3.4
136.01593	3.2
137.02322	6.1
139.03883	1.8
141.04086	1.8
143.03313	1.7
146.03598	1.8
149.02356	8.5
149.05951	2.2
150.03156	13.8
151.00336	2.9
151.03795	5.3
152.01028	6.1
153.01826	8.9
160.01593	2.0
161.02350	4.9
161.04507	3.1
162.05447	2.8
163.03885	2.3
164.04710	3.1
165.01846	2.2
165.05467	10.5
166.02664	2.4
166.05833	1.6
174.05562	3.6
175.02379	10.3
175.03868	5.2
177.01794	2.7
179.03354	2.5
179.06967	2.2
180.04041	3.0
181.04967	2.8
187.03804	1.7
187.11192	6.0
190.02637	4.9
191.05560	3.7
193.04988	6.8
195.06516	7.9
196.06917	2.7
209.11798	5.7
215.11777	2.9
223.06105	4.0
236.09537	1.8
237.10327	5.7
239.11667	2.9
241.13525	3.5
251.08235	3.3
251.11835	3.6
255.02887	2.5
263.08075	2.2
264.08972	5.0
265.09711	5.5
270.05325	1.8
277.09824	4.4
278.10620	2.8
279.11185	2.8
281.09265	2.0
282.10065	1.8
283.10928	3.0
284.03058	1.8
285.04028	5.1
285.12405	1.9
287.13937	6.1
291.11255	2.9
292.12137	3.8
293.12717	3.9
297.12411	2.7
300.02832	4.3
304.53732	1.6
319.10699	3.4
323.12994	10.6
342.12653	3.4
343.12607	2.0
351.13217	2.0
358.15652	5.1
370.11850	7.1
371.12543	3.0
372.13034	2.4
372.17099	5.8
384.13501	3.8
385.14246	5.8
386.14941	10.6
387.15579	4.6
390.18402	2.6
398.15128	3.9
399.15823	4.2
400.16656	6.9
413.17471	4.8
414.18179	11.7
415.18753	3.6
418.17770	10.5
426.14545	8.1
432.19391	2.6
440.16208	3.4
441.16901	4.4
455.19040	1.7
459.17743	2.6
463.08829	3.7
472.18732	3.1
473.19452	22.2
474.20038	6.0
490.19846	2.1
495.23926	2.6
505.18600	2.8
508.20786	2.5
513.25183	3.6
555.26276	6.5
558.24701	2.5
559.25464	3.0
581.23926	6.5
595.25537	6.3
597.22571	3.0
599.24927	14.7
600.25415	3.3
613.26605	100.0
614.26929	18.7
631.27759	48.1
632.28107	8.1
655.27722	7.0
673.28705	32.4
674.28851	6.1
703.29871	3.9
704.29358	2.2
733.30817	6.5
745.26904	1.9
762.24707	3.2
793.30664	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	791.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	17.4
61.98705	16.7
71.01253	18.3
73.02787	5.6
75.00750	6.7
80.91654	5.4
81.84828	4.8
85.59729	5.0
87.00759	5.7
89.02309	6.5
96.95876	19.8
98.95436	6.7
101.02306	8.3
103.46439	4.6
116.92728	15.1
119.03295	5.5
121.02880	6.0
121.52583	5.3
125.02284	6.4
134.03680	5.3
153.01901	7.4
153.55696	5.1
165.87401	4.8
171.10141	15.7
179.44383	5.8
197.11707	5.7
201.11139	7.5
209.11784	100.0
211.13344	20.8
227.12888	25.8
253.09218	31.4
291.19623	19.8
309.20688	78.6
310.21109	12.4
337.83405	5.2
385.14795	8.1
397.13400	6.0
791.39764	48.5
792.40063	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	791.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	51.0
61.98689	57.9
67.02750	21.9
78.95792	30.7
82.17423	20.8
211.13295	82.1
232.81451	23.1
253.09149	36.2
277.21646	36.5
291.19470	25.7
293.21106	100.0
447.22375	39.0
791.43524	77.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97526	7.2
69.36732	7.7
105.90303	7.3
137.51056	7.5
140.67850	9.3
183.66313	8.1
209.11771	100.0
227.12930	20.2
229.54073	13.9
235.09286	8.5
253.09367	12.6
277.21790	81.6
454.15723	9.6
493.14728	9.7
791.42950	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	789.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.2
58.00471	1.1
59.01251	20.4
61.98700	6.6
65.03848	2.6
67.01744	2.3
69.03307	3.5
70.61684	1.5
70.62035	3.5
71.01255	17.2
71.04891	3.9
72.99165	1.9
73.02828	3.8
73.05330	1.0
75.00721	2.1
78.95796	1.7
79.95634	1.2
80.91571	1.9
81.03333	1.2
82.95291	9.4
83.01254	3.6
83.02390	5.5
83.04882	2.8
85.02827	12.1
85.42152	1.0
87.00737	5.3
89.02319	7.2
91.01763	2.3
93.03333	15.9
95.01258	4.0
95.04900	1.9
96.95895	21.4
97.02845	5.4
97.06458	5.1
99.00755	19.5
101.02299	10.7
107.01264	1.9
107.04911	1.2
108.02050	5.0
109.02837	41.2
113.02322	7.3
117.03251	1.2
119.03374	1.7
119.04836	1.5
120.08932	1.2
121.02852	1.9
123.00773	2.8
123.04373	3.0
123.07982	1.6
124.01550	1.3
125.02323	9.9
125.09594	10.8
127.11140	2.3
133.02844	1.5
134.03615	3.0
135.00774	10.5
135.04443	2.1
136.05087	1.3
137.02339	25.2
137.09686	1.5
139.07578	1.3
141.04031	1.7
142.02612	2.0
145.04968	1.2
149.02333	4.0
149.99452	4.8
150.03143	3.0
151.00249	2.3
151.03899	2.6
152.01062	7.6
153.01840	75.1
154.02193	3.4
160.01570	3.1
161.04408	2.8
161.09598	1.2
163.03972	1.6
163.11203	12.4
164.04710	1.6
165.01863	1.3
165.05476	3.2
165.09091	1.3
165.12767	1.8
166.02626	1.2
167.03377	3.3
168.00528	2.6
171.10172	15.2
172.10529	1.2
175.03925	3.5
177.01842	2.9
179.10657	1.3
181.12282	16.2
183.13828	2.3
185.11752	1.5
190.02565	2.2
193.04948	1.4
195.06577	2.6
197.11760	3.6
199.13341	11.2
201.11253	3.2
205.04987	2.8
207.10217	25.7
208.10437	1.2
209.11780	8.6
211.13333	9.7
212.13744	1.8
219.09946	1.4
223.06004	2.7
225.11270	37.0
229.14441	6.0
235.08243	1.4
243.06673	3.1
243.12350	18.6
244.12578	2.5
253.09262	4.9
269.04544	5.6
277.21634	1.6
284.03201	5.6
285.04047	17.2
291.19705	3.1
309.20694	5.2
313.05566	5.3
315.07217	15.8
316.07181	1.6
327.21729	15.9
328.22195	2.2
331.06616	8.4
331.19034	1.3
339.07013	1.8
347.26160	1.4
383.06091	3.6
397.13229	2.1
401.26279	1.2
405.11447	2.2
415.15140	1.4
437.12582	2.2
461.20471	2.0
479.21042	3.4
543.09955	2.1
602.19189	1.3
698.42114	1.4
789.42743	100.0
790.28912	1.6
790.42810	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	789.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03326	1.5
59.01248	100.0
60.01615	0.6
62.63762	0.5
69.03311	0.9
69.62357	4.3
71.01249	13.9
72.99188	0.7
73.02819	3.7
75.00736	1.0
82.37114	0.5
83.01256	1.5
85.02821	7.3
87.00742	1.5
89.02318	2.5
91.01762	0.6
93.03358	0.9
95.01276	1.6
96.95912	1.7
97.02808	0.9
98.19778	0.8
99.00779	2.3
101.02321	8.9
108.02080	1.6
109.02852	3.2
113.02318	7.8
118.95673	0.5
119.01273	2.0
119.04935	0.8
121.02837	4.2
123.00806	1.5
123.04438	0.6
124.01543	1.2
125.02328	3.0
134.03641	1.9
135.04446	1.4
137.02324	3.1
139.00276	0.7
139.03899	0.7
143.03383	0.7
147.04453	1.8
149.02342	21.7
149.06023	1.1
149.99529	1.5
150.03053	1.8
151.00313	1.5
151.03928	1.5
152.01076	1.8
153.01826	3.4
159.02940	0.9
160.01552	1.0
161.02338	0.9
161.04468	5.5
162.03233	0.5
163.03937	1.0
164.04697	14.1
165.01814	1.6
165.05472	2.9
166.02615	4.0
167.03453	1.4
168.00592	1.8
169.01324	0.8
173.04559	0.8
175.00296	6.5
175.03946	0.9
176.01154	0.8
179.03421	0.8
179.05574	0.8
179.07045	1.2
180.04189	0.6
181.04964	4.9
190.02628	14.5
191.03218	1.2
191.05592	1.4
192.06023	0.6
193.01459	0.7
193.04987	1.8
195.06601	2.6
205.05005	14.0
207.06639	0.7
208.03819	1.4
209.04379	0.6
221.08473	0.6
223.06055	32.1
224.06464	1.7
233.04369	0.7
267.07327	1.2
285.03979	0.9
331.06952	1.0
331.17529	11.3
371.20914	2.1
373.18683	10.3
387.10468	0.7
387.14804	0.8
402.13718	0.7
417.15378	5.1
421.18701	1.2
565.22864	4.0
614.02515	0.7
624.73657	0.6
627.24689	1.5
789.30475	5.8
790.30566	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	789.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.9
61.98709	36.8
71.01253	24.0
72.78032	4.9
78.95769	13.6
79.67591	5.0
83.04910	7.8
83.80604	4.0
85.02805	4.7
87.00752	6.3
88.98672	12.1
89.02341	7.8
96.95898	53.7
101.02325	7.4
125.09588	6.8
131.99525	4.5
163.11134	5.4
171.10146	19.0
200.67938	4.0
207.10214	8.7
209.09869	7.0
209.11768	100.0
210.12096	7.4
211.13338	9.8
225.11267	15.5
227.12910	24.1
235.08173	4.8
253.09218	17.0
289.18106	19.4
291.19656	13.0
293.21246	4.7
307.19006	31.5
309.20557	7.9
327.21707	9.4
443.42856	5.2
585.20734	4.3
689.31873	4.5
789.37439	26.4
789.78784	5.1
790.38123	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	789.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.0
61.98691	0.8
69.03326	0.9
70.24865	1.8
71.01242	4.7
72.99173	1.4
73.02814	1.4
75.00752	0.8
80.96518	0.4
81.00795	0.5
81.03308	0.6
81.42089	0.4
83.01260	1.1
85.02819	2.9
87.00719	1.0
89.02283	2.2
89.68785	0.4
93.03338	1.8
95.01285	1.3
96.95901	3.3
97.00299	1.2
97.02843	0.8
98.01096	1.0
99.00785	1.0
99.01873	9.1
101.02323	2.9
108.02048	1.2
109.02828	1.7
110.03463	0.8
111.00774	0.7
111.01888	3.1
113.02310	2.7
119.03384	0.8
119.04885	0.7
121.02814	1.9
122.03598	1.3
123.04382	0.8
124.01488	1.0
125.02332	2.1
126.02980	0.7
132.02083	0.5
133.02858	0.7
134.03606	1.6
135.00760	0.6
135.04398	1.7
136.01544	1.9
137.02364	2.3
139.00275	0.4
139.01503	0.5
139.02502	1.6
140.03291	8.7
141.04073	100.0
142.04404	1.6
145.02931	0.4
149.02327	3.4
149.05934	0.7
150.03120	7.0
151.00233	0.9
151.03920	3.9
152.01091	2.8
153.01842	2.2
153.02890	0.5
153.04118	0.8
160.01581	0.9
161.02315	0.7
161.04454	1.1
163.03885	1.4
164.04677	1.3
165.01770	1.4
165.04102	1.0
165.05466	7.4
166.02539	1.4
166.05824	2.5
167.03348	1.4
167.05894	0.5
167.26299	0.4
168.00507	1.3
169.01323	0.4
173.04512	0.8
175.00235	0.5
175.03932	2.2
179.03386	1.0
179.07042	0.6
180.04166	1.5
181.04984	1.7
185.00780	0.4
190.02654	1.1
191.05510	1.2
193.04863	2.0
195.06584	4.9
196.06941	1.8
197.07143	0.8
205.05019	1.2
208.02257	3.0
209.03084	1.8
223.06001	1.3
224.06448	0.5
267.07080	1.5
285.04114	3.1
285.08286	0.7
297.08139	0.4
303.09439	54.9
304.09970	2.2
327.09100	0.6
331.06781	2.9
341.89618	0.5
357.13525	0.6
359.14252	0.5
371.08395	31.5
371.38687	0.4
372.08344	1.4
387.14594	2.0
388.14929	2.3
389.15408	2.2
399.05658	0.5
419.13837	0.5
421.15430	0.5
435.63605	0.4
485.24094	0.5
535.19562	0.9
536.20264	1.3
537.20276	4.0
558.01654	0.4
584.22058	0.6
585.22595	1.7
720.36060	0.4
789.34253	8.4
790.33832	1.6
818.12006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	25.7
61.98689	20.8
70.16914	5.4
71.01237	37.0
77.12889	5.7
78.95765	17.6
85.02801	6.9
88.98682	24.3
89.02318	16.2
96.95882	100.0
101.02314	8.8
113.02269	7.2
123.21989	6.8
152.14270	7.1
171.10159	22.2
178.04039	5.8
185.11700	7.8
197.11833	6.8
201.11203	6.3
207.10194	16.5
209.11780	37.5
211.13297	18.2
225.11261	30.1
229.27713	5.8
235.08035	7.0
253.09171	16.8
277.72342	6.4
291.19638	19.1
309.20755	34.9
310.20917	8.1
404.15921	6.5
461.20444	9.1
753.40564	18.2
789.37958	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.1
59.01255	0.6
61.98690	0.4
66.05738	0.1
71.01245	1.1
73.02836	0.2
75.00742	0.1
78.27270	0.1
78.95773	2.3
79.95609	3.1
83.04904	0.1
85.02821	0.2
89.02328	0.5
90.97036	0.1
94.92384	0.1
94.97944	0.1
95.04877	0.2
96.95889	100.0
96.96880	2.5
97.02816	0.1
97.95820	0.2
98.02355	0.1
98.95479	0.1
99.00778	0.2
101.02293	0.4
113.02336	0.2
116.92777	0.1
118.96535	0.1
119.04920	0.1
125.02313	0.3
128.41847	0.1
137.02310	0.1
149.02274	0.1
153.01830	0.1
160.97705	0.1
161.04501	0.1
171.10168	0.7
175.04007	0.1
181.12346	0.1
183.13838	0.2
185.11690	0.1
185.85805	0.1
191.33444	0.1
193.05080	0.1
197.11713	0.2
199.13466	0.1
201.11247	0.3
207.10222	0.2
209.11819	0.9
211.13406	0.4
211.15189	0.1
225.11319	0.5
227.12816	0.3
235.08157	0.1
235.65337	0.1
253.09227	0.3
277.02383	0.1
291.03867	0.1
293.21207	0.6
312.44067	0.1
314.16354	0.1
327.21722	0.5
333.04852	0.1
354.09833	0.2
397.13516	0.2
415.14630	0.2
435.08310	0.4
453.09219	2.4
729.30005	0.2
771.41077	0.1
789.43805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06283	2.9
59.01237	8.8
61.98693	27.5
68.99091	5.0
68.99438	90.2
69.03330	17.9
71.01248	44.5
72.99170	3.5
74.95255	6.1
78.95748	5.4
83.01244	5.6
85.02814	3.5
87.00728	4.6
87.92403	11.6
90.94749	4.9
95.01222	2.8
96.95892	4.4
99.00764	6.2
103.91893	58.4
104.92690	48.8
106.94244	6.1
108.76192	3.4
111.00750	7.4
112.95213	3.0
112.98446	100.0
112.99725	19.7
113.02328	52.1
113.03101	5.6
113.03444	3.5
114.94768	49.0
118.94231	5.4
123.94527	10.2
130.94232	17.1
140.12053	3.0
140.96359	6.9
142.94238	11.9
144.95782	5.8
154.52495	2.9
156.95816	9.8
158.93752	23.9
160.95706	3.2
171.10168	6.6
171.94511	12.5
172.95329	21.1
184.95363	28.1
186.96672	3.4
198.96919	9.0
200.94835	7.4
203.01584	3.6
207.41158	3.2
209.11716	15.6
214.96326	3.7
227.12891	5.5
229.99400	5.7
232.97507	5.6
245.55246	3.2
253.09352	6.8
277.21606	9.4
304.99451	4.1
307.01108	5.3
320.99261	4.1
327.21667	7.5
333.47913	3.7
336.98575	10.5
377.01712	4.6
397.13522	3.8
409.00729	26.3
451.05911	22.3
469.06546	42.5
483.04379	73.8
484.04395	5.5
501.05420	9.9
729.27795	81.7
730.27820	12.8
730.60486	3.6
761.26953	4.3
789.44745	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	789.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.2
59.01251	28.6
61.98715	10.0
69.03327	4.7
71.01254	22.0
71.34245	1.5
72.99174	2.2
73.02821	5.0
74.75649	1.6
75.00739	3.3
77.50256	2.2
81.03323	2.8
83.01260	7.1
85.02818	15.2
87.00741	5.5
89.02321	10.7
91.01762	5.1
93.03335	8.0
95.01255	6.5
96.95904	13.9
97.02827	2.9
99.00765	5.2
101.02321	10.0
107.01247	2.0
107.94611	2.1
108.02057	80.8
109.02847	43.1
111.00734	2.7
113.02317	18.2
113.73571	1.9
116.92809	1.6
118.92245	1.8
119.03423	2.8
119.04900	4.1
121.02847	7.4
123.00776	4.3
123.04395	5.5
124.01521	2.8
125.02326	9.8
130.11136	1.7
132.02109	1.9
133.02831	7.1
134.03632	10.5
135.00800	14.5
135.04436	14.2
136.04700	2.1
137.02333	11.9
138.05537	1.7
139.00272	2.3
139.03949	3.0
141.01759	3.6
141.04073	8.4
147.04416	2.2
149.02318	13.6
150.03143	22.4
151.00284	24.9
151.03951	8.4
152.01067	94.7
153.01852	55.5
154.02184	2.1
155.03369	2.1
160.01591	6.2
161.02362	4.1
161.04419	4.0
163.03905	7.2
164.04744	8.2
165.01851	8.6
165.05513	12.0
165.12764	1.6
166.02626	43.9
166.05756	2.9
167.03346	5.1
168.00520	4.7
175.00266	4.5
175.02501	2.5
175.03918	6.8
176.01128	2.0
176.04463	1.8
177.01862	34.4
178.32208	1.5
179.03395	6.0
179.07050	3.1
180.04208	3.5
181.05002	55.8
182.05446	2.7
190.02673	9.9
191.03171	3.8
191.05481	4.1
193.05011	7.8
195.02850	2.4
195.06581	9.8
197.48805	1.6
198.53674	1.5
201.05145	1.7
205.05019	12.3
206.05571	2.3
206.33049	1.7
208.03596	2.5
220.07411	2.9
221.07928	1.9
223.06068	14.6
224.06392	3.9
225.07671	3.0
267.07205	11.4
269.04300	3.9
284.03064	2.6
285.04099	12.4
286.04251	2.2
287.05548	7.9
288.06097	3.9
304.07816	2.1
315.07211	100.0
316.07483	7.5
331.06464	2.2
339.07181	42.2
340.07385	3.6
357.08652	2.1
372.07266	2.7
372.12036	4.5
383.06189	36.6
384.06665	3.8
387.09821	9.5
387.14957	13.0
401.07144	16.6
402.07980	3.4
402.13110	8.8
417.15503	50.6
418.15756	6.3
420.13452	2.8
421.14673	3.3
593.25330	5.9
597.23431	5.0
599.30591	3.3
627.24506	21.5
628.24634	3.6
789.33673	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	789.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.4
57.03334	0.5
59.01254	5.5
61.98695	2.4
67.01761	0.7
68.99686	0.6
69.03313	2.9
71.01253	8.0
71.58277	0.7
72.99168	0.8
73.02813	1.9
75.00750	1.1
80.96362	0.5
81.03336	1.3
83.01266	1.7
83.04916	0.6
85.02820	5.4
87.00754	0.8
89.02319	1.8
91.01784	0.6
93.03318	2.9
95.01265	3.9
95.04884	0.4
96.95887	7.2
97.02843	1.5
99.00756	1.8
101.02306	3.3
107.01267	0.5
108.02045	72.0
109.02846	30.8
109.07104	0.4
110.03158	0.8
113.02320	3.7
115.00246	0.5
117.03384	0.5
119.03415	0.5
119.04933	0.6
121.02852	2.8
122.03638	0.5
123.00780	3.6
123.04397	1.9
125.02341	3.9
132.02046	0.6
133.02849	3.5
134.03632	1.8
135.00774	6.0
135.04398	1.6
137.02367	3.0
141.04109	1.0
143.03384	0.5
143.41640	0.4
145.02870	0.9
147.04482	0.5
149.02341	2.5
150.03134	2.3
151.00273	1.2
151.03886	3.0
152.01050	80.8
153.01837	41.3
154.02290	0.9
160.01546	1.7
161.02301	1.2
161.04544	0.9
163.03894	3.0
164.04655	1.5
165.01837	3.4
165.05476	2.0
165.12733	0.5
167.03384	0.7
168.00667	0.5
168.07343	0.5
169.01314	0.5
171.10208	1.6
174.01631	0.6
175.00218	0.8
175.02538	0.5
175.03896	2.2
176.01044	1.5
177.01845	31.5
178.02206	1.5
181.05006	1.5
190.02675	1.5
191.03479	0.8
193.04918	2.6
195.02974	0.5
195.06535	1.2
203.03349	0.5
205.05028	1.6
207.02867	0.8
207.10175	0.5
209.11781	2.0
219.02835	0.5
223.06084	2.1
225.03964	0.7
225.11325	1.0
227.12802	0.7
243.06563	0.6
253.09384	0.7
267.07071	0.6
269.04514	2.8
270.05109	0.5
284.03262	0.8
285.04019	2.2
297.06342	0.7
309.07803	0.4
315.07202	100.0
316.07468	4.9
327.21869	1.2
339.07162	51.1
340.07516	2.9
356.60721	0.4
357.08337	0.8
383.06168	31.6
384.06549	1.8
401.07205	26.3
402.07523	1.7
488.84933	0.5
498.46945	0.5
593.26416	0.5
596.30304	0.5
634.79474	0.5
640.05914	0.5
655.02344	0.5
789.18768	2.7
789.31250	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	789.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.3
59.01251	2.3
61.98705	1.2
65.00198	0.3
65.03826	4.1
67.01758	1.8
69.03325	0.3
69.29185	0.4
69.29587	1.7
71.01251	2.3
72.99162	0.2
73.02806	0.7
75.00728	0.5
78.95779	0.2
79.95580	0.2
81.03355	0.2
83.01233	0.4
83.04868	0.2
85.02808	1.4
87.00731	0.4
89.02312	0.7
91.01753	3.1
93.03339	0.4
95.01260	0.2
96.95889	4.6
99.00744	0.4
101.02299	1.3
108.02055	1.0
109.02829	45.9
110.03149	1.0
112.71220	0.2
113.02329	1.2
116.92733	0.2
119.03362	0.2
119.04914	0.3
119.26313	0.2
121.02834	0.5
122.03653	0.2
123.00761	0.3
123.04366	0.2
125.02318	0.8
132.02028	0.3
133.02820	0.2
134.03596	0.5
135.00769	13.9
135.04320	0.3
136.01112	0.2
137.02313	0.6
139.03873	0.2
141.04015	0.9
149.02335	0.8
150.03128	1.3
151.00298	0.5
151.03911	0.5
152.01118	0.9
153.01830	100.0
154.00949	0.2
154.02167	2.6
159.02887	0.3
160.01564	0.6
161.04457	0.6
163.03970	0.2
164.04657	1.2
165.05449	0.7
166.02579	0.3
167.06999	0.2
168.00523	0.3
171.10178	0.4
175.00323	0.3
175.02426	0.2
175.03911	0.6
177.01872	0.6
179.07063	0.8
181.04985	0.3
190.02658	0.6
193.04984	0.8
195.06512	0.4
197.42432	0.2
205.05008	0.6
208.03709	0.2
209.11749	0.6
223.06058	1.3
224.06451	0.3
225.11343	0.2
252.07671	0.2
257.76413	0.2
269.04398	0.5
285.04007	0.4
297.06213	0.4
303.09476	0.4
315.07199	12.9
316.07550	0.6
339.07080	1.1
383.06247	4.0
383.10818	0.1
419.13553	0.4
484.97418	0.2
593.26227	0.5
789.18964	0.8
789.28906	0.2
789.32251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	2.1
59.01252	11.2
61.98712	3.7
69.03338	1.4
69.60774	6.1
71.01257	25.0
73.02827	1.2
78.95779	2.4
81.03332	2.1
83.01266	1.2
83.04904	5.8
84.02046	3.0
85.02826	2.8
87.00764	3.3
89.02311	5.1
96.95895	6.9
97.02843	4.6
97.06467	2.2
98.20485	2.5
99.00819	1.2
100.58015	1.0
101.02332	5.6
109.06479	2.7
111.08052	3.2
113.02341	3.8
117.55993	1.0
119.03346	2.3
123.04437	1.3
123.08066	1.3
125.09629	2.9
125.69189	1.2
137.09671	1.9
154.47934	1.1
161.04465	2.9
163.11198	6.8
165.12756	3.7
169.12274	14.1
171.10188	19.2
181.12254	2.6
183.13899	1.5
185.11807	2.8
193.12253	1.8
197.11778	19.1
199.09636	1.9
199.13399	4.1
201.11290	4.2
207.10226	4.0
209.11772	100.0
210.12122	4.6
211.13344	5.7
213.11302	1.2
223.13380	1.4
225.11244	4.8
227.12839	14.6
235.08160	6.1
247.20657	2.0
253.09288	16.1
259.15640	1.8
289.18231	7.4
291.19699	20.2
292.20053	1.2
305.48373	1.2
307.19055	7.0
309.20703	45.7
310.21002	4.0
341.23389	5.5
445.20667	1.8
506.76419	1.1
545.29407	1.4
565.29529	1.3
769.39703	1.4
787.41449	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	787.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85939	8.2
59.01238	34.7
61.04031	8.7
61.98697	100.0
71.01240	34.7
71.57820	15.1
78.50188	8.1
78.95753	43.0
82.73615	9.8
87.00737	31.9
87.47881	8.7
88.98687	17.8
92.14716	8.7
96.95898	14.5
107.04924	9.4
135.02850	10.9
136.58560	8.1
152.99567	10.3
171.10179	26.9
183.13683	14.3
191.05453	14.2
197.11790	26.1
201.11110	12.8
207.10216	14.5
209.11748	41.1
211.13269	14.0
223.13383	11.1
225.11201	23.4
227.12827	15.1
235.08044	10.9
253.09129	18.0
291.19650	30.1
307.19022	10.4
309.20636	18.1
341.23184	14.0
491.60806	12.0
787.39764	18.3
795.78949	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	787.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	52.7
59.18556	23.6
61.98700	81.8
71.01237	83.1
78.95753	57.2
87.00753	36.0
89.02295	29.4
96.95870	36.9
98.20531	86.7
99.06316	21.4
105.85098	24.4
109.06490	28.0
110.90420	22.4
125.02320	50.4
165.12794	38.5
171.10115	50.6
183.13792	100.0
197.11801	47.1
207.10176	72.8
209.11794	53.4
211.13347	85.7
223.13390	69.5
225.11241	56.7
253.09250	77.5
253.51756	25.2
291.19601	41.0
309.20590	82.8
328.78238	25.7
526.08807	25.2
653.32874	25.6
688.73920	27.9
745.78638	24.6
751.41742	42.4
769.22699	27.7
787.40393	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13989	0.9
57.03302	1.8
57.98215	1.1
58.00463	1.5
59.01246	62.3
61.98692	7.3
69.03318	2.5
71.01248	35.8
71.57649	1.3
71.58043	1.3
72.99165	2.3
73.02818	21.5
75.00751	1.2
78.30223	1.0
78.95786	1.5
79.45568	1.0
79.54107	1.0
79.95616	1.1
83.01256	6.7
83.04904	2.2
85.02811	9.7
85.48309	1.0
87.00753	2.9
89.02314	10.0
92.96695	0.9
93.03330	1.7
95.01247	2.8
96.95882	44.6
97.02824	2.8
97.06456	1.6
99.00737	3.5
101.02309	26.4
104.42394	1.1
109.02853	2.6
113.01608	1.7
113.02322	19.9
114.20787	0.9
116.92769	1.3
119.03386	4.6
121.02838	2.2
125.02312	2.9
125.09598	1.4
131.03387	2.8
134.03673	1.6
135.00752	2.7
135.04419	19.7
137.02339	2.2
143.03409	3.1
149.02324	1.7
149.04436	6.3
149.05838	1.2
151.00327	1.4
151.03891	5.6
151.11255	1.1
152.01060	3.5
160.01579	1.3
161.02281	1.6
161.04459	17.0
163.03914	91.9
163.11237	1.8
164.04387	4.7
165.12700	0.9
171.10187	7.4
172.87891	1.0
175.03944	1.4
178.06261	56.5
179.03392	5.5
179.05388	1.9
179.06813	1.6
184.12819	0.9
185.11783	1.5
190.02605	1.3
191.07120	1.1
193.08630	38.8
194.05760	7.7
194.08899	1.5
197.11719	3.1
199.07718	1.1
199.13274	1.3
201.11270	2.1
202.72034	1.2
207.10144	1.9
209.08125	100.0
209.11728	9.4
210.08472	4.5
210.12041	1.1
211.13326	1.7
221.06688	4.2
223.06064	1.5
225.11287	3.0
225.14723	1.4
227.12805	5.9
243.06526	3.5
243.12315	1.2
249.51498	1.0
253.09238	3.1
285.04129	2.5
287.04614	1.2
321.08447	1.2
341.23300	4.5
353.12256	2.4
389.16049	12.2
503.25629	1.1
533.19971	9.1
545.41974	1.0
551.21161	5.2
552.21552	1.5
593.22467	7.6
786.41730	1.4
787.41504	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	787.2873
Annotation	7-Hydroxy-5-methoxy-6-methylflav-2-ene-(4->3alpha)-7-hydroxy-5-methoxy-6-methlflavan-(2->7,4->8)-7-hydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
57.03311	5.5
57.23978	2.5
59.01249	75.2
68.99689	2.3
69.03335	4.4
71.01250	28.3
71.58717	3.5
72.99182	6.8
73.02792	3.7
75.00749	23.9
83.01251	4.2
85.02822	40.8
87.00742	18.6
89.02288	5.9
93.03326	15.9
95.01255	8.3
96.95948	5.0
99.00742	16.3
101.02316	5.0
103.00249	4.8
109.02842	3.7
111.00764	3.1
111.04370	3.6
113.02319	25.7
115.00302	4.1
119.04873	3.9
120.90451	2.5
125.02287	2.8
127.03927	3.8
129.01747	4.2
133.04919	4.6
135.04475	3.6
137.02255	3.1
138.02718	2.7
150.03152	3.7
152.50134	2.7
163.03888	2.7
166.02643	3.5
173.04471	7.4
174.02507	2.1
175.04036	2.3
176.90991	2.4
181.04898	6.6
183.05135	3.8
191.05527	80.4
198.84850	2.5
209.11781	3.3
218.09381	2.6
227.12833	4.0
249.06174	19.9
256.29956	2.4
267.07211	15.2
279.10342	3.0
306.07617	3.4
309.08194	3.3
323.12939	4.8
329.87952	2.9
417.15662	5.6
613.19611	4.5
769.27161	5.5
787.28601	100.0
788.29993	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	787.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.7
59.01248	4.2
61.98703	0.9
63.26282	0.3
67.01756	0.4
68.99680	0.4
69.03328	1.1
69.25710	4.0
69.93827	0.3
71.01239	3.1
73.02840	0.3
75.00737	0.6
78.95771	0.7
81.03329	0.4
83.01254	0.7
84.01993	0.4
85.02807	3.1
87.00757	1.2
89.02321	1.4
93.03329	7.2
95.01245	1.2
95.04913	1.0
96.95876	3.2
97.02820	0.6
99.00766	1.1
99.01839	0.5
101.02317	1.4
105.03361	0.4
107.01250	0.4
107.04888	0.5
108.02053	2.0
109.02837	2.3
111.00749	0.8
113.02338	1.7
117.03352	0.9
119.01254	0.6
119.04903	1.1
121.01943	0.7
121.02837	15.7
122.03629	15.9
123.00748	1.9
123.04452	2.1
124.01545	1.9
124.47483	0.4
125.02357	3.6
131.04884	0.4
132.02066	1.3
133.02834	3.0
134.03654	4.1
135.04411	12.4
136.01555	23.2
137.02364	6.3
138.03162	0.3
139.00278	0.5
139.03886	1.5
140.03386	0.4
141.04095	5.0
143.04958	0.4
145.02834	1.1
146.03648	1.0
147.04405	2.5
148.01550	0.5
149.02344	36.8
149.05920	1.8
149.37180	0.3
150.03127	100.0
151.00278	5.7
151.03922	28.3
152.01056	3.2
152.04277	1.0
153.01833	2.0
153.05473	0.6
154.02614	1.3
158.03548	0.4
159.04462	1.1
160.01616	1.9
160.05162	0.9
161.02414	1.9
161.04567	0.7
161.06012	1.5
162.03134	1.9
163.03899	5.2
164.04709	11.1
165.01892	1.8
165.05478	98.8
166.02623	17.1
166.05766	3.6
167.03386	3.6
168.00609	0.4
172.05168	1.1
173.04402	1.6
173.05862	0.7
174.03110	1.1
175.00290	2.3
175.03906	7.7
175.07484	0.6
176.01038	0.5
176.04645	1.4
177.01892	1.7
177.05434	1.8
178.02654	1.3
179.03387	1.8
179.06995	1.1
180.04202	7.1
181.04974	20.4
182.05322	0.7
185.00888	0.7
187.03899	0.7
187.07411	0.5
188.04588	0.5
189.05508	3.8
190.02652	6.6
190.06279	7.4
191.03418	1.6
191.05515	7.9
191.06989	1.0
192.04135	0.9
193.04953	4.2
194.05695	0.5
195.06549	69.5
196.06895	3.6
203.03352	0.4
203.06973	0.7
205.05008	6.5
205.08659	1.7
206.05679	1.0
207.06473	0.8
209.04414	0.6
220.07321	0.4
221.08167	1.6
223.06067	6.8
225.07640	0.9
239.03552	0.5
249.05963	0.4
251.07016	0.5
266.05664	0.8
267.02805	0.5
267.06870	0.6
282.05273	1.5
284.03720	0.4
285.04041	1.6
297.07669	1.1
299.02164	0.7
299.09250	0.6
303.09460	2.1
307.08310	0.4
308.08899	0.6
308.54984	0.4
309.07758	0.7
311.09073	0.6
314.07892	0.9
315.08786	2.0
324.09875	0.6
325.07114	0.7
325.10773	0.6
326.11697	1.0
327.08798	0.6
328.09381	0.4
329.10333	2.7
337.09384	0.5
339.12640	0.5
340.13129	0.5
341.10382	0.7
341.13950	0.5
342.10950	2.8
343.11661	0.6
352.08105	2.0
354.10828	0.5
355.11810	1.1
356.12668	2.6
357.09616	4.7
357.13419	11.1
358.13928	0.9
367.10272	3.7
369.13382	1.0
371.08282	0.7
372.12051	4.2
373.12863	2.1
385.12921	0.7
386.13739	2.1
387.14465	51.6
388.14743	5.2
389.15903	1.2
401.15753	0.5
439.13980	1.3
490.16357	0.8
505.18542	3.3
506.19110	0.6
517.18561	1.0
520.17084	1.0
535.19714	56.8
536.20007	8.4
553.20331	1.7
561.23187	1.7
565.20654	1.6
581.17932	0.7
583.21820	28.4
584.22278	3.8
757.27283	0.4
787.25641	2.3
788.25476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.3
57.81251	0.8
59.01252	10.8
61.98707	1.4
63.23419	0.8
65.00208	1.0
65.56741	0.8
67.01785	0.9
67.32426	0.9
68.67878	0.8
69.03328	1.9
71.01257	13.2
72.99193	2.1
73.02832	2.6
75.00751	1.1
78.95776	0.8
79.95699	0.8
80.96386	1.0
83.01259	1.9
85.02831	7.6
87.00766	2.8
89.02328	3.6
91.01778	2.4
91.33147	0.7
93.03323	4.5
95.01274	2.3
96.95890	10.3
96.96436	1.3
97.02815	1.0
99.00753	1.6
99.01890	1.5
101.02332	3.3
107.01312	0.9
107.04919	1.0
108.02055	2.3
109.02841	3.0
111.00787	1.1
113.02334	7.2
117.03362	1.7
119.01270	5.3
119.03387	1.3
119.04929	2.3
121.02841	17.4
122.03645	4.6
123.00776	2.2
123.04392	2.3
124.01540	1.4
125.02347	3.4
132.02092	3.5
133.02846	1.7
134.03629	7.7
135.04433	12.1
136.01567	5.1
137.02342	4.8
139.00281	0.9
140.03271	1.5
140.54297	0.8
141.04071	9.1
143.03470	1.0
147.00783	2.0
147.04424	5.4
149.02348	80.5
149.05998	1.8
150.03148	25.9
151.00308	3.2
151.03922	10.5
152.01059	4.3
153.01837	2.7
155.89708	0.9
160.01566	5.2
161.02310	2.0
161.04449	1.8
161.05980	0.8
162.03133	2.0
163.03903	4.4
164.04706	51.9
165.01868	7.1
165.05479	26.2
166.02635	4.7
166.06017	1.7
167.01895	0.8
167.03331	1.8
168.00578	1.9
173.04472	2.1
175.00272	25.2
175.03842	6.8
176.01028	1.7
176.04753	0.9
177.01817	1.5
177.05550	2.0
178.02687	2.5
179.03430	2.4
179.07014	4.3
180.04205	3.7
181.04942	4.0
185.00795	1.3
189.01833	1.1
189.05583	1.7
190.02638	48.5
190.06285	2.9
191.03265	4.4
191.05530	11.5
191.07095	1.7
193.01390	2.8
193.05000	7.1
195.06551	16.7
197.04178	0.8
203.07091	1.0
205.05000	40.4
206.05365	2.3
208.03674	5.5
219.06740	1.0
220.07364	1.2
221.08179	1.0
223.06078	100.0
224.06346	4.7
225.07611	3.7
265.07208	1.8
279.06552	1.2
285.04089	5.0
297.07748	0.9
303.09375	4.1
331.06680	1.8
341.10120	1.1
352.08057	2.8
356.12613	1.4
357.09561	2.0
357.13489	2.5
371.11664	1.7
372.11963	1.3
385.11990	0.8
387.14545	11.6
388.15051	1.0
389.16028	1.2
401.11328	1.2
401.15982	8.2
402.16144	1.4
439.14017	2.0
474.35748	1.1
515.08740	0.9
535.19617	14.6
536.20148	2.3
553.20172	1.5
561.23718	4.3
563.21167	4.1
583.21808	6.6
601.16388	1.2
613.19220	1.5
778.15344	1.0
787.28058	17.4
788.28363	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	787.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
57.03320	1.6
58.00470	1.2
59.01248	100.0
60.01577	1.1
65.00202	1.4
65.43382	0.6
68.99713	1.1
69.03330	2.5
70.31258	0.6
71.01250	44.2
71.59335	0.6
72.99187	2.1
73.02816	51.8
74.03220	0.6
75.00755	2.1
81.03330	0.8
83.01250	16.0
85.02810	6.2
87.00761	2.4
89.02313	10.5
93.03358	2.0
93.63535	0.6
93.99905	0.8
95.01276	2.1
96.95899	2.2
97.02841	2.0
97.20284	0.6
99.00778	1.8
99.04386	0.9
101.02318	46.8
107.01271	1.8
108.02055	1.2
109.02850	1.0
113.02322	14.9
117.03423	0.8
119.03399	4.4
119.04945	2.0
121.02865	3.6
122.03635	1.1
123.00750	1.1
123.04451	1.0
124.01543	1.0
125.02332	4.2
128.54005	0.6
129.01796	0.7
131.03394	4.4
133.02855	4.7
134.03645	2.3
135.04417	7.8
136.01590	1.5
137.02353	3.0
140.71710	0.7
141.04071	6.0
143.03404	4.7
145.02898	2.1
147.03011	0.8
147.04340	0.8
149.02365	8.2
149.04417	4.4
150.03116	5.8
151.00256	6.9
151.03836	3.4
152.01022	1.8
153.01862	2.0
155.03380	1.6
160.01643	1.8
161.02415	0.8
161.04463	10.0
161.05804	1.0
162.03198	1.2
163.03955	2.9
164.04736	3.4
165.01883	1.2
165.05475	3.8
166.02673	1.8
167.03418	1.5
168.00673	0.9
173.04486	1.8
175.00334	2.1
175.03908	5.2
176.01219	0.6
177.05551	2.1
178.02596	1.1
179.03482	1.3
179.07094	0.9
180.04126	0.9
181.05017	2.2
189.05540	0.8
190.02661	4.1
190.06305	1.1
191.03575	1.1
191.05615	3.2
192.04181	0.7
193.04996	3.3
195.06599	2.8
199.03897	1.1
203.05620	1.2
205.05042	3.3
205.08510	0.7
207.06747	0.8
217.05086	0.8
221.06598	1.0
223.05986	5.5
265.07190	1.1
285.04025	41.3
286.04352	3.3
287.05634	1.1
303.09525	3.7
308.09100	1.0
337.09760	0.8
352.08109	1.9
371.08423	1.5
386.13654	3.1
387.14633	2.6
397.22443	2.7
419.13678	1.4
457.24402	2.0
505.18948	0.9
535.19708	16.0
536.20374	2.8
565.21307	1.4
787.31683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	6.7
61.98697	38.1
69.01362	1.0
70.59650	1.4
70.60004	4.0
71.01244	4.5
76.84786	1.1
78.95770	2.1
80.96382	3.9
82.95966	2.1
85.02821	1.6
89.02290	1.3
91.19149	1.1
98.19882	1.6
101.02319	3.2
116.92725	2.1
161.04524	1.8
169.87527	1.2
183.13708	3.1
185.11742	28.5
197.11781	3.9
200.13710	1.4
209.11780	6.9
210.12076	1.7
211.13332	48.9
212.13747	2.5
214.54099	1.2
225.00591	1.2
227.12770	2.3
235.08156	6.2
253.09143	7.5
255.89436	1.4
277.21698	100.0
278.22043	12.9
279.22720	3.5
429.21429	1.6
447.22305	2.5
591.49176	1.2
628.23163	1.4
785.42200	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01832	0.4
59.01249	16.8
60.12169	0.5
61.98695	2.0
69.51434	3.5
71.01251	2.1
71.27058	0.4
73.02821	0.5
83.04893	0.5
85.02824	0.6
89.02318	2.1
96.87460	0.4
101.02320	1.7
101.11198	0.4
113.02322	1.0
116.32121	0.5
119.76874	0.4
125.09551	0.5
141.23653	0.4
146.11877	0.4
153.12749	1.0
161.04454	1.0
169.12250	4.4
179.05482	0.5
179.10732	0.7
197.11760	100.0
198.12099	4.0
199.13354	0.7
209.11711	0.8
235.08214	1.4
253.09207	5.4
277.21710	50.2
278.22052	4.2
279.23062	1.0
280.58087	0.5
388.22968	0.4
415.19666	1.2
433.20685	8.8
434.21170	1.0
646.55774	0.5
693.41840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.6
57.03310	2.8
58.00457	2.3
59.01249	36.5
61.98697	2.4
62.64861	0.8
69.03313	2.9
69.80376	3.9
71.01251	32.6
71.04876	0.7
72.99171	4.2
73.02822	4.7
75.00733	1.3
78.95764	1.1
80.28548	0.6
81.03331	2.1
83.01259	2.8
83.04894	2.5
85.02817	9.6
86.15098	0.6
87.00751	9.6
89.02318	27.2
95.01242	1.4
95.04900	1.0
96.95899	1.3
97.02803	4.3
97.06469	1.8
98.15923	0.6
98.20531	0.7
99.00783	3.1
99.04379	1.3
101.02322	20.5
107.04882	0.8
109.06447	2.8
111.04408	1.7
111.08031	2.3
113.02324	10.8
119.03383	5.0
121.02885	0.7
123.00821	0.7
123.04421	1.1
124.01490	0.7
125.02365	6.5
129.01839	1.1
131.03369	0.8
135.08043	1.2
137.09616	1.8
143.03381	2.5
149.04398	0.7
157.12344	0.6
158.70271	0.8
161.04456	3.2
163.11168	0.6
171.10153	2.4
179.05508	9.4
185.11774	0.9
190.11794	0.8
193.12207	0.8
197.11717	2.4
203.14317	1.4
205.26663	0.6
207.10175	1.4
209.11757	4.5
211.13379	3.4
213.14900	2.4
214.15202	0.7
217.51146	0.8
221.06598	3.7
225.11258	1.5
225.14886	0.8
227.12804	1.0
231.17426	1.8
235.08194	3.2
237.14922	1.1
239.16513	1.7
241.18088	1.9
247.13229	1.4
251.16455	0.9
252.59016	0.7
253.09259	2.0
263.07669	2.1
265.17966	0.9
267.19669	0.7
275.16528	2.1
277.18317	0.8
278.79782	0.7
289.18033	1.6
293.21063	1.1
307.19135	1.1
313.25351	1.0
315.26923	3.2
317.28470	0.9
325.25357	6.9
326.25555	0.7
333.28125	0.7
341.24753	4.0
343.22708	0.8
343.26392	6.0
344.26608	1.1
351.23105	3.1
359.25845	5.9
361.27560	3.1
369.24307	8.2
370.24655	1.0
377.26932	1.5
387.20328	0.9
387.25394	20.7
388.25659	2.2
397.13486	12.9
405.26437	39.8
406.26733	4.4
429.26404	0.9
479.29898	1.8
483.20016	0.7
605.33667	0.9
609.88074	0.8
623.34027	0.8
753.40753	1.5
757.41022	0.7
767.38477	0.9
785.39612	100.0
786.40063	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	785.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.5
57.03312	2.2
58.00451	2.3
59.01250	34.8
61.93810	0.8
61.98695	2.9
69.03313	3.0
71.01254	36.9
72.99181	3.5
73.02815	4.7
75.00729	1.9
81.03330	1.9
83.01237	3.4
83.04886	3.0
85.02819	8.0
87.00759	9.3
89.02317	27.2
95.01249	2.2
95.04894	1.5
96.95866	1.8
97.02831	4.1
97.06465	0.9
98.20545	2.2
99.00783	3.7
101.01693	1.3
101.02325	20.7
107.04861	0.9
109.02821	0.9
109.06464	2.8
111.00748	0.8
111.04381	1.2
111.08050	1.7
111.99086	0.8
113.02327	11.2
119.03395	5.2
121.02824	1.2
121.82509	0.7
124.01582	1.1
125.02357	5.7
129.01778	1.0
131.03337	1.1
131.37926	0.7
135.08026	1.7
137.09573	1.6
139.03905	0.7
143.03395	1.8
149.04448	0.9
161.04468	3.9
163.11180	1.3
169.12244	2.6
171.10143	2.5
179.05519	9.2
179.10719	0.9
195.13737	0.8
197.11760	5.9
203.14355	1.4
207.10217	0.9
209.11775	4.1
211.13335	3.4
213.14917	2.0
221.06558	4.6
223.13361	0.9
225.11351	1.5
231.17476	2.1
235.08168	3.3
237.14902	0.9
239.16463	2.6
247.13364	1.5
247.16895	1.0
253.09247	1.5
263.07721	1.8
265.18063	1.2
267.19504	0.9
275.16559	1.4
277.18289	1.0
287.23511	0.7
289.18167	1.8
291.19543	1.2
293.21100	2.2
305.08984	0.8
307.19150	1.2
309.20575	0.9
313.25522	1.2
315.26828	3.7
317.28488	1.6
325.25473	6.0
333.28040	0.9
341.24710	3.3
343.26535	5.1
351.23257	2.9
359.25983	6.7
361.27451	2.0
369.24445	9.6
377.26706	1.7
387.20383	1.1
387.25421	20.3
388.25601	1.9
397.13477	13.3
398.13544	1.4
405.26440	37.6
406.26752	3.5
429.26498	0.9
447.27075	0.8
479.30026	1.3
515.39386	0.9
623.34137	2.0
753.40283	3.9
757.40472	1.6
767.38538	1.8
785.39679	100.0
786.40027	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	785.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.2
57.03308	2.6
58.00454	2.3
59.01249	39.8
61.98687	1.4
64.82674	0.5
66.72401	0.5
69.03326	3.1
70.73725	1.4
71.01250	34.1
72.99184	3.9
73.02832	4.8
75.00728	1.0
78.95752	0.7
81.03320	2.3
83.01264	3.3
83.04887	2.6
85.02827	8.6
87.00751	8.5
89.02319	26.4
93.03319	1.2
95.01247	2.1
95.04871	1.4
96.95885	6.1
97.02834	5.0
97.06472	1.4
99.00765	1.7
99.04388	0.8
101.02320	18.7
104.19922	0.6
104.58924	0.6
109.02842	1.0
109.06458	2.7
111.00729	0.8
111.04407	0.9
111.08051	0.8
113.02327	10.9
115.03911	0.5
119.03386	5.1
119.08531	0.7
121.10171	0.7
123.00794	0.6
123.04366	0.6
125.02326	6.9
129.01811	0.7
131.03375	0.9
133.06528	0.9
135.08070	3.2
137.09595	1.4
141.01825	1.1
143.03407	2.5
145.04999	0.8
149.04437	0.9
161.04454	4.3
163.11150	1.1
169.12355	0.6
169.15996	0.6
171.10124	2.2
179.05539	10.2
179.10692	1.2
185.11552	0.9
193.12151	0.7
195.13814	0.5
197.11823	3.1
203.14333	1.1
205.15961	0.8
207.10156	1.1
209.11702	5.5
211.13333	3.0
213.14909	2.0
215.12717	0.8
221.06633	4.3
223.16862	0.7
225.11212	1.8
227.12820	1.2
231.17450	1.4
235.08177	2.5
237.14876	1.6
239.16364	2.7
241.17961	2.8
245.19095	1.3
247.13451	1.4
247.16939	0.8
253.09213	1.6
263.07764	2.0
265.18103	1.7
267.19577	1.3
275.16605	2.0
275.20108	0.7
277.17999	1.3
289.18173	2.8
291.19641	0.9
305.08582	0.8
305.17368	0.6
307.19183	1.9
315.26871	3.0
317.28448	1.1
325.25381	6.7
333.27997	1.4
341.24713	2.4
343.26382	6.4
351.23373	2.7
359.25842	6.7
361.27585	3.7
369.24326	8.6
370.24405	1.0
377.26981	2.2
387.25381	20.6
388.25912	1.1
397.13477	11.5
398.14392	0.7
405.26425	40.4
406.26776	4.3
429.26019	0.8
479.30194	2.1
623.34174	1.1
640.93542	0.8
683.35413	0.7
757.39825	0.9
767.38861	2.2
785.39612	100.0
786.39874	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	785.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.3
59.01248	2.9
61.98703	1.8
65.00166	0.2
65.03822	0.6
69.03306	0.4
71.01247	3.1
71.58298	0.3
73.02812	0.7
75.00755	0.3
78.95767	0.2
83.01254	0.4
85.02828	1.3
87.00743	0.5
89.02309	1.1
91.01742	0.2
93.03330	48.6
94.03683	1.2
95.01235	0.4
96.95896	1.7
97.02869	0.3
99.00751	0.6
101.02317	1.5
108.02032	0.7
109.02843	0.7
113.02317	1.1
117.03347	0.2
119.01322	0.3
119.03376	0.2
119.04914	0.5
121.02840	0.4
123.00759	0.2
123.04456	0.2
124.01571	0.3
125.02326	0.5
133.02904	0.2
134.03636	0.7
135.04405	0.3
136.01599	0.2
137.02336	100.0
138.02679	3.0
139.03993	0.2
141.04091	0.2
145.02893	0.4
147.04465	0.2
148.12021	0.2
149.02335	0.9
150.03091	0.4
151.00246	0.5
152.01060	0.7
153.01808	0.9
155.03394	0.2
160.01555	0.5
161.02357	0.7
161.04468	0.6
163.03928	0.3
164.04668	0.5
165.01801	0.2
165.05460	0.5
165.12642	0.2
166.02655	0.2
167.03362	0.4
168.00604	0.3
171.10199	0.3
173.30025	0.1
175.00310	0.4
175.03946	0.6
177.01825	0.4
179.03300	0.2
185.04604	0.2
189.91280	0.1
190.02650	0.7
191.05571	0.2
193.04985	0.8
195.06491	0.2
205.05031	0.9
223.06062	0.7
227.12723	0.2
229.03502	0.4
243.06485	0.1
267.07043	0.2
269.04419	0.3
270.05273	0.5
271.06161	0.2
284.03482	0.2
285.04309	0.3
285.07690	0.6
299.07693	4.7
300.08081	0.4
301.07190	0.3
311.05453	0.2
315.07291	0.2
323.07809	0.2
367.06671	1.9
417.24921	0.3
425.29355	0.3
447.13144	0.3
485.24045	0.5
641.54480	0.2
688.06598	0.2
741.37219	0.2
785.32556	2.1
786.33521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01249	3.6
60.69725	0.2
61.98691	0.4
63.02271	0.7
65.00208	0.6
68.99680	0.2
69.03291	0.3
71.01253	2.7
72.99156	0.4
73.02811	0.6
75.00726	0.7
83.01253	0.8
83.04842	0.3
85.02812	1.8
87.00721	0.6
89.02319	1.0
89.82475	0.2
91.01756	0.3
93.03323	0.8
95.01260	0.4
96.95888	1.5
97.06475	0.2
99.00761	0.7
101.02336	1.4
105.03326	0.2
107.01244	1.3
108.02054	0.7
109.02822	1.3
111.00777	0.2
113.02333	1.8
117.03336	0.3
119.03392	0.3
119.04884	0.5
121.02827	0.8
123.00708	0.3
123.04428	0.3
124.01597	0.2
125.02347	1.3
125.09595	0.3
133.02844	3.3
134.03633	1.1
135.04399	0.8
137.02293	1.0
141.04071	0.8
145.02829	0.5
146.03647	1.6
146.04594	0.2
147.04414	0.3
149.02336	2.2
149.05988	0.2
150.03064	0.7
150.08722	0.2
151.00264	2.7
151.03870	0.6
152.01004	0.8
153.01843	1.1
160.01535	1.1
161.02345	0.3
161.04488	0.5
161.05943	0.5
163.03856	0.4
164.04651	1.5
165.01817	0.3
165.05396	0.6
166.02591	0.3
167.03377	0.6
168.00507	0.3
171.04428	0.2
173.04422	0.3
175.02455	0.5
175.03883	2.3
177.01816	0.6
179.05493	0.3
179.07037	3.4
181.05046	0.4
185.05865	0.3
190.02620	0.9
191.05449	0.5
193.04990	0.7
195.06500	0.5
199.03958	1.6
201.01808	0.6
205.04962	1.0
209.11626	0.4
210.12053	0.3
211.03888	0.3
213.05495	0.3
215.03366	0.3
217.05014	1.0
219.06628	0.5
223.06046	0.7
229.04935	0.3
239.03488	0.3
241.04935	0.6
242.01953	0.3
243.03001	0.5
255.03102	0.3
256.03650	0.6
257.04501	0.4
267.02844	0.3
267.07050	0.4
269.04495	0.3
284.00055	0.5
284.03247	19.0
285.04013	100.0
286.04370	6.3
287.38647	0.3
293.04541	0.6
297.04041	0.6
303.09445	0.3
309.03906	1.1
315.07162	0.3
327.05026	1.0
328.05551	0.3
331.07123	0.3
337.09119	0.3
353.02905	0.6
447.09290	22.3
448.09625	1.6
455.19089	0.3
471.09268	1.2
472.09735	0.3
515.08264	62.9
516.08575	6.5
521.33087	0.3
545.62384	0.2
637.32428	0.4
741.20618	0.4
741.35382	0.5
785.40155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1932
Annotation	Petunoside
Peak:m/z	Relative Intensity
57.03332	0.3
59.01250	2.9
60.67291	0.3
61.98701	0.4
63.02252	0.6
71.01255	2.0
71.39052	0.3
71.59334	0.4
72.99165	0.3
73.02810	0.7
75.00744	0.7
79.81750	0.3
83.01253	0.9
85.02843	1.5
87.00755	0.6
87.50070	0.3
89.02306	1.2
93.03319	0.8
95.01237	0.4
96.95879	1.9
99.00756	0.6
101.02331	1.0
107.01276	0.9
107.04884	0.3
109.02826	1.3
113.02303	1.9
119.03416	0.3
119.04897	0.5
121.02829	0.6
123.04390	0.4
124.01521	0.4
125.02315	1.2
133.02835	3.4
133.04990	0.3
134.03600	1.2
135.00716	0.3
135.04408	0.7
137.02306	1.0
141.04080	0.8
145.02844	0.5
146.03639	1.5
147.04404	0.5
149.02295	1.9
150.03111	0.9
151.00259	3.2
151.03925	0.8
152.00870	0.4
153.01836	0.8
160.01566	0.9
161.02299	0.6
161.04471	0.3
163.03891	0.6
164.04678	1.5
165.01752	0.4
165.05449	0.7
167.03384	0.5
171.04431	0.3
173.04478	0.4
175.03943	2.1
177.01871	0.5
179.03430	0.5
179.07074	2.9
190.02672	0.6
191.05550	0.6
193.05022	1.2
199.03918	1.4
201.01877	0.6
205.05022	0.9
205.12364	0.3
211.03929	0.4
213.05588	0.5
217.04979	0.6
219.06505	0.5
223.04070	0.4
223.06075	1.2
227.03310	0.4
239.03522	0.3
240.04118	0.3
241.04970	0.7
243.03065	0.5
255.02994	0.6
256.03760	1.1
257.04510	0.5
267.07257	0.7
283.02545	0.3
284.03259	17.1
285.04022	100.0
286.04333	6.4
289.07181	0.4
293.04538	0.4
297.04080	0.4
299.05841	0.4
303.09439	0.6
309.03967	1.3
327.05069	1.2
353.02835	0.7
447.09286	21.0
448.09424	1.6
460.66943	0.4
471.09268	1.2
515.08270	64.3
516.08594	6.4
741.21191	0.4
741.35699	0.6
766.74512	0.4
785.30420	0.4
785.42065	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.2
59.01246	0.8
61.98689	0.8
66.00983	0.2
71.01254	0.6
76.03055	0.2
77.03827	0.3
85.02833	0.3
87.00742	0.3
89.02325	0.2
91.01779	0.5
91.17506	0.2
95.01238	0.3
96.95865	0.2
97.02806	0.3
101.02366	0.2
108.90063	1.0
111.08142	0.2
113.02354	0.3
120.02058	0.5
121.02835	100.0
122.03167	3.1
123.04373	0.2
136.01550	0.6
165.01831	2.6
169.12268	0.4
171.10136	0.5
180.05730	0.5
181.04997	0.4
181.06508	2.1
191.03400	1.9
192.03728	0.2
195.13754	0.2
197.06020	0.2
197.11746	4.4
207.10187	0.4
209.04480	67.9
209.11723	1.4
210.04794	3.1
211.13350	0.9
223.13364	0.9
225.05510	2.3
225.11214	0.4
227.12880	0.3
235.08145	0.6
253.09207	0.9
277.21732	0.7
289.18100	0.8
291.19675	0.7
293.21188	0.4
307.19131	0.2
309.20624	1.3
313.07144	4.2
314.07462	0.5
323.22311	0.2
357.06085	2.2
401.08704	11.1
402.09213	1.0
433.20914	0.5
549.10461	0.8
566.46252	0.3
575.10901	0.2
741.14758	0.5
753.40509	0.4
785.16626	0.6
785.41040	0.8
786.17157	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1928
Annotation	CHEBI:75517
Peak:m/z	Relative Intensity
59.01249	5.2
61.10806	1.7
62.91058	1.4
71.01252	4.3
71.57248	2.2
76.59760	1.6
79.58121	1.7
83.81287	1.6
85.02816	6.7
87.00734	3.1
89.02315	2.2
91.85299	1.8
92.85182	2.0
93.03335	4.8
96.95889	2.3
101.02335	1.7
101.66113	1.8
109.02804	4.4
113.02307	2.9
119.04891	2.8
123.04437	2.6
125.02371	2.5
127.04018	1.8
133.02820	10.4
135.04428	3.5
149.02336	2.5
153.01823	2.4
161.02350	2.0
163.03981	2.8
165.05583	1.6
167.03351	2.0
173.04523	2.2
175.03976	1.6
181.04927	2.0
191.05528	67.8
192.05992	2.9
267.07236	1.7
284.03519	4.2
285.04053	12.9
297.04022	17.8
298.04825	15.2
299.05695	8.2
311.05530	4.7
327.01404	3.1
327.05090	44.9
328.05252	4.2
337.09262	17.2
339.05109	3.6
357.06100	37.5
358.06451	2.1
369.06012	3.1
418.16074	1.7
429.07983	4.0
447.09296	100.0
448.09808	9.3
448.15274	1.8
624.55292	1.9
759.69751	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	783.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	7.2
69.94090	5.0
71.01244	4.7
79.95586	1.8
80.96379	10.5
83.04901	3.0
85.02808	1.9
87.00804	1.0
89.02313	2.3
94.97959	2.7
97.02861	1.1
101.02331	2.8
106.98001	0.9
113.02345	1.2
125.66999	0.8
148.98932	1.1
152.98494	1.0
161.04448	1.7
163.11209	2.4
164.94884	1.0
165.12718	2.5
169.12187	1.1
180.35199	0.8
185.11716	2.6
199.13286	5.7
209.11754	64.8
210.12067	3.8
225.00635	3.4
227.12798	14.8
235.08217	5.3
253.09273	8.0
277.21689	100.0
278.22095	8.3
435.20764	1.0
632.66870	1.0
732.80560	1.0
783.41852	12.4
784.42462	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00453	1.9
59.01248	31.6
69.03308	1.0
69.88023	1.7
69.88432	3.2
71.01239	5.7
72.99169	1.4
73.02803	2.0
80.96381	1.2
83.04886	1.0
85.02836	1.0
87.00764	1.5
89.02299	2.5
101.02324	2.8
113.02319	2.3
117.06958	2.1
141.12727	4.0
143.03413	1.6
161.04413	1.4
163.11215	0.9
165.12717	1.3
167.10710	1.9
169.12236	11.6
171.13846	1.9
181.12259	2.4
185.11754	21.0
197.11810	1.7
199.13332	49.6
200.13661	3.0
209.11763	13.0
216.89983	0.8
220.44547	1.0
225.11238	1.5
227.12823	42.8
228.13162	2.1
235.08160	2.4
253.09279	7.2
277.21707	100.0
278.22064	9.4
295.10327	1.1
445.20709	4.7
463.21939	3.7
513.30750	1.1
695.74414	1.0
723.42834	1.5
783.44464	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	783.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06012	1.2
59.01248	9.8
59.73423	1.4
61.98693	4.0
67.33951	1.4
71.01260	3.5
71.58264	1.9
81.03347	1.3
83.04868	1.3
85.26386	1.2
87.00739	1.6
89.02323	3.3
101.02325	2.7
113.02310	1.8
125.02329	4.1
161.04544	1.6
163.11145	1.3
183.13869	7.0
188.47461	1.4
195.13805	4.5
209.11761	17.7
211.13326	100.0
212.13695	4.6
223.13339	3.2
235.08145	5.3
253.09209	12.2
275.20123	5.7
277.21616	15.9
277.62314	2.0
278.22034	4.0
293.21225	61.0
294.21579	4.8
327.98102	1.5
447.22095	8.1
451.59952	1.3
529.30756	1.5
783.44086	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	783.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00948	0.6
59.01247	12.6
59.03518	0.4
61.98705	4.3
64.35361	0.4
70.70996	0.4
71.01245	4.7
71.07030	0.9
73.02815	1.1
75.85439	0.4
78.95770	0.9
78.98454	0.9
79.95621	1.3
80.02538	0.7
80.96388	9.2
81.03318	1.0
83.01259	0.6
83.04891	2.9
85.02831	1.2
87.00749	1.6
89.02334	2.3
90.51813	0.5
94.97962	2.1
97.02846	0.6
101.02319	2.8
102.02615	0.5
104.90946	0.4
113.02305	1.7
118.85604	0.4
119.03381	0.7
122.97446	0.4
125.02311	1.0
134.97522	0.5
144.25095	0.4
145.04932	0.5
148.99040	0.6
152.98550	0.7
161.04350	0.9
162.82753	0.4
163.11183	1.6
164.98572	1.7
165.12785	1.0
169.12260	0.7
181.12299	0.5
182.12622	0.4
185.11769	1.8
199.13330	3.3
209.11758	64.6
210.12045	3.4
225.00706	2.4
225.11174	0.5
227.12834	12.1
228.13196	0.5
235.08199	6.4
253.09256	8.3
275.20129	0.6
277.21698	100.0
278.22055	10.0
404.29010	0.5
445.20752	0.9
506.60434	0.5
513.30493	1.1
519.31616	0.5
546.20874	0.5
723.42798	0.9
783.42126	9.9
783.56348	0.6
784.42609	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	783.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
58.47129	0.8
59.01241	7.6
61.98700	8.3
69.03323	1.5
71.01242	6.8
72.99180	1.1
73.02816	2.3
75.00745	1.9
78.95765	0.8
81.03352	0.8
83.01244	1.5
84.24133	0.8
85.02821	5.1
87.00751	1.5
88.98684	0.9
89.02336	2.9
90.24250	0.9
93.03328	1.9
95.01262	2.5
96.95892	4.1
97.02799	1.3
98.83154	1.0
99.00739	1.8
101.02309	4.0
108.02045	61.6
109.02845	30.3
113.02351	4.0
121.02840	3.8
121.10149	0.9
123.00798	1.5
123.04415	1.5
125.02332	2.7
132.02135	1.1
133.02831	3.3
134.03609	3.2
135.00755	4.1
137.02362	3.7
140.99448	1.2
149.02335	1.9
150.03096	1.0
150.06711	1.7
151.00258	0.9
151.03877	3.4
152.01047	70.9
153.01839	35.7
154.02136	1.5
160.30692	1.0
161.02362	0.7
161.04448	1.0
163.03947	2.5
165.01857	2.9
165.05441	1.4
165.09146	1.8
168.00581	0.9
171.10222	0.9
175.03961	1.6
176.01085	1.4
177.01846	30.1
178.02251	1.5
179.03320	0.9
191.03581	0.9
193.05008	3.0
194.05605	1.1
205.05048	1.2
209.11833	1.4
211.13373	1.2
223.06117	1.5
225.03906	0.9
233.15341	1.5
285.03931	1.1
315.07196	100.0
316.07507	5.8
339.07172	47.5
340.07654	3.7
369.19202	0.8
383.06134	31.9
384.06400	2.6
401.07187	25.1
402.07520	2.2
634.56287	0.8
712.41815	0.8
783.28607	5.5
784.30328	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	783.248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66923	2.4
57.98569	2.4
59.01250	100.0
60.63544	2.8
61.20785	2.3
65.91680	2.8
68.99664	3.7
71.58002	3.7
80.96423	2.6
86.23759	2.4
91.05027	2.4
96.99197	6.7
137.55106	2.8
140.98201	6.0
141.01726	7.3
209.11789	14.4
215.29665	2.9
227.12842	6.6
253.09155	3.2
277.21613	17.9
421.88095	2.9
481.15173	28.9
482.15616	6.6
495.16525	10.8
497.18732	3.9
498.01083	2.9
540.16394	8.8
555.18683	35.7
556.18951	6.7
572.15283	20.3
573.15601	6.4
586.17029	5.3
609.20483	2.9
641.22430	29.4
642.22552	8.2
701.24585	99.5
702.24835	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.3
59.01245	3.6
61.98703	5.6
63.02271	1.2
64.99889	0.3
65.00208	0.9
66.11615	0.2
71.01246	2.8
72.99163	0.4
73.02811	0.7
75.00739	1.8
78.95781	0.4
80.96383	0.3
83.01249	1.3
85.02830	1.1
87.00738	0.8
87.32899	0.3
88.98666	0.4
89.02313	1.1
93.03339	1.9
95.01251	0.4
96.95872	2.0
97.06452	0.5
97.47411	0.3
101.02312	1.2
105.03374	0.6
107.01278	2.1
107.04876	0.9
108.02028	0.8
109.02824	2.1
109.06532	0.3
113.02309	0.9
114.71273	0.3
119.04918	0.5
121.02811	1.1
125.02291	0.9
126.00746	0.3
133.02831	5.2
134.03609	1.6
135.00745	0.6
135.04399	0.7
137.02315	3.0
137.11414	0.3
149.02359	2.5
149.06001	0.5
149.99533	0.3
150.03009	0.4
151.00267	3.9
151.03920	0.6
152.01076	1.1
153.01883	1.9
160.01579	0.5
161.02344	0.3
161.04457	0.6
161.09618	0.8
163.03893	0.4
163.11348	0.3
164.04648	0.6
165.01805	0.4
165.05501	0.5
168.00369	0.3
171.04373	0.7
175.03886	2.7
176.04141	0.4
177.01866	0.8
179.03461	0.3
190.02661	0.7
193.04980	1.0
195.06560	0.7
197.06039	0.4
199.03905	2.1
201.01901	0.9
205.05031	0.6
209.11749	0.8
211.03896	0.7
212.04689	0.4
213.05450	0.5
215.03473	0.6
215.14343	0.5
217.05006	0.8
223.06093	0.5
227.03421	0.6
229.66788	0.4
233.15434	0.8
240.04359	0.3
241.04955	0.7
243.02924	0.8
255.02989	0.6
256.03720	1.8
257.04556	0.7
263.66550	0.3
267.03101	0.3
281.04501	0.3
284.03247	24.8
285.04010	100.0
286.04355	6.0
297.04062	0.4
309.03973	0.5
315.07129	1.4
327.05005	0.4
349.61591	0.3
385.23743	0.4
418.77679	0.3
471.09457	1.5
489.10352	18.8
490.10687	2.3
651.20264	0.4
677.22125	2.4
678.22833	0.6
679.20306	5.0
680.20239	0.8
697.21490	0.9
721.21442	2.0
739.22369	27.5
740.22729	5.2
783.38007	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	783.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01246	3.5
59.05924	0.4
61.98695	6.9
63.02273	0.9
65.00195	0.7
69.79987	2.2
71.01242	2.3
72.99162	1.0
75.00742	1.0
79.49312	0.3
83.01259	0.9
85.02814	1.0
85.76730	0.3
87.00765	0.6
88.98692	0.6
89.02311	1.5
93.03317	1.4
94.21911	0.3
95.01289	0.7
96.95889	3.5
99.00740	0.7
101.02316	1.0
105.03321	0.6
107.01246	2.1
108.02049	0.6
109.02836	1.9
113.02322	1.1
119.03381	0.5
121.02831	1.1
125.02348	1.0
133.02843	5.5
134.03603	1.1
135.00732	0.7
135.04364	0.6
137.02341	2.4
145.02876	0.4
147.04337	0.4
149.02345	2.4
150.03088	0.4
151.00273	4.8
151.03893	0.5
152.00989	0.7
152.04736	0.4
153.01822	1.3
160.01613	0.7
161.02338	0.6
161.09590	0.5
164.04683	0.5
171.04497	0.4
175.00391	0.6
175.03894	3.0
177.01797	0.7
187.11305	0.4
190.02596	0.6
193.04980	1.2
195.06596	0.5
199.03960	2.1
201.01935	0.6
205.05069	0.7
209.11696	0.8
211.03926	0.8
217.04996	0.9
223.06001	1.1
227.03375	0.6
233.15427	0.9
241.04848	0.5
243.02940	0.8
254.02219	0.4
255.02905	0.6
256.03690	1.4
267.02872	0.5
283.02582	0.4
284.03250	23.6
285.04019	100.0
286.01282	0.4
286.04398	6.9
297.04120	0.5
315.07339	0.7
327.04831	0.5
387.20108	0.4
447.09048	0.5
471.09146	1.6
489.10364	20.5
490.10431	1.8
492.32355	0.4
577.31946	0.4
597.15460	0.5
651.20636	0.5
661.19397	1.0
677.22491	2.8
678.22430	0.7
679.20074	5.1
680.20685	0.9
697.21136	0.9
721.21161	1.6
739.22382	29.9
740.22943	4.5
783.38245	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	783.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.9
59.01238	8.6
61.98693	6.8
63.02280	1.0
64.88366	0.6
65.00184	1.4
69.03310	2.1
69.31494	6.2
71.01250	7.0
72.99176	1.7
73.02830	1.5
75.00739	12.2
77.54299	0.6
78.61736	0.6
78.93004	0.7
78.95766	1.3
82.60327	0.6
83.01254	1.9
83.04897	0.7
85.02816	3.6
87.00729	1.3
88.98653	1.3
89.02303	2.0
90.03326	0.6
93.03304	4.7
95.01208	1.0
96.95876	5.4
99.00764	1.2
101.02295	3.1
104.17638	0.7
107.01261	2.5
108.02043	3.0
109.02816	4.9
113.02290	3.4
115.00285	0.6
116.92703	0.7
119.03381	0.8
119.04923	1.3
121.02810	2.4
123.04344	1.2
125.02320	1.6
133.02834	6.4
134.03613	4.2
135.00742	0.7
135.02869	1.9
135.04395	1.7
135.45738	0.6
136.93001	0.6
137.02339	9.0
141.04112	0.8
149.02332	4.2
150.03108	1.8
151.00287	4.4
151.03871	1.6
152.00975	3.5
153.01810	5.3
160.01550	2.8
161.02306	0.9
161.04433	0.8
161.09625	1.0
163.03900	1.4
164.04672	1.7
165.01836	0.7
165.05397	1.4
166.02544	0.8
167.03433	1.0
168.00511	0.9
169.06372	0.6
171.10208	2.3
175.00218	0.9
175.03879	4.9
177.01775	2.7
183.13866	1.1
185.00847	0.8
185.06108	1.1
190.02626	1.8
191.03296	0.9
193.04965	2.8
195.06572	1.3
199.03975	1.8
201.94197	0.8
205.04951	2.0
209.11792	5.6
210.12117	1.0
211.13196	0.7
213.05820	0.7
215.03455	0.8
217.04991	1.6
223.06078	2.0
241.05029	0.7
243.39540	0.6
243.96808	0.7
256.03735	0.9
270.05219	0.7
270.84100	0.7
284.00018	1.0
284.03207	26.2
285.03998	100.0
286.04376	6.3
294.95282	0.6
315.07269	5.6
339.07248	1.6
373.26059	0.7
375.27789	0.8
383.06369	1.3
452.49426	0.6
471.09290	1.6
489.10355	20.6
490.11002	1.1
677.22308	2.5
679.19867	4.5
715.38055	0.8
721.22003	1.8
739.22321	29.3
740.22681	4.2
783.40265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48662	0.3
57.33945	0.3
59.01249	3.6
61.98689	1.5
63.02260	1.1
65.00189	0.8
67.05391	0.3
69.03334	0.7
69.64028	2.6
71.01282	1.7
72.99191	0.6
75.00737	0.8
78.95770	0.4
83.01271	0.8
85.02817	1.1
87.00744	0.6
88.98669	0.5
89.02303	1.1
90.01423	0.4
93.03331	2.5
95.01254	0.4
96.95898	1.6
99.49283	0.3
101.02325	0.9
105.03367	0.5
107.01254	1.6
107.04892	1.0
108.02058	3.4
109.02839	2.5
113.02341	1.0
119.04927	0.6
119.20417	0.3
121.02825	1.2
123.04399	0.6
125.02322	0.7
133.02841	5.2
134.03639	1.3
135.04361	0.8
137.02342	5.3
149.02354	2.4
150.03111	0.9
151.00258	4.2
151.03899	1.1
152.01054	3.0
153.01830	2.4
155.10553	0.4
160.01534	0.7
161.02371	0.5
161.04437	0.5
161.09596	0.8
163.03998	0.5
165.05434	0.5
169.01172	0.4
171.04460	0.4
171.10211	0.7
175.03922	3.1
177.01816	1.3
183.04486	0.4
185.06001	0.6
187.11214	0.5
189.09218	0.4
190.02626	0.6
193.04941	1.2
195.06485	0.4
197.06001	0.5
198.03148	0.4
198.61862	0.5
199.03958	1.8
201.01871	1.1
204.47069	0.4
205.04994	1.0
215.03374	0.7
217.04977	1.5
223.03951	0.5
223.05978	0.6
239.03241	0.4
241.05107	0.9
256.03699	1.1
257.04443	0.6
267.02982	0.4
269.04440	0.8
284.00012	0.6
284.03250	24.9
285.04013	100.0
286.04367	6.4
315.07181	3.2
327.05032	0.8
339.07184	1.8
383.06342	1.8
401.07224	1.1
429.08405	0.7
471.09207	1.4
489.10355	21.1
490.10373	1.8
661.19940	0.6
677.22076	3.4
678.22681	0.6
679.20160	5.3
680.20898	0.9
697.21039	0.4
721.20947	1.9
722.23260	0.5
729.64905	0.5
739.22382	31.2
740.22797	5.7
783.30475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03324	0.6
58.00474	0.3
59.01249	10.9
69.03315	0.6
71.01241	3.8
71.04893	0.6
73.02789	0.8
78.95745	1.0
79.95604	1.0
80.01871	0.3
80.96384	5.3
81.03316	0.5
83.01231	0.9
83.04899	0.7
85.02826	1.1
87.00751	1.3
88.73116	0.4
89.02307	1.0
94.97973	1.6
95.04873	0.4
96.95909	1.0
97.02824	4.1
97.06451	1.0
99.00747	6.6
101.02321	2.6
109.06458	1.1
110.03580	0.7
113.02322	1.2
117.12870	0.3
122.97356	0.4
123.08042	0.5
125.02287	0.7
125.09616	2.0
134.97520	0.4
136.05176	0.8
142.02623	1.2
145.04947	0.4
148.98990	0.5
156.24193	0.3
161.04411	0.9
161.09708	0.4
163.11192	4.9
164.98538	0.9
179.10620	0.4
181.12253	8.0
182.12488	0.5
197.11777	0.7
199.09517	0.3
199.13263	0.5
207.10197	25.1
208.10510	0.7
209.11726	0.7
225.00729	1.9
225.11261	51.8
226.11603	2.0
227.12830	0.4
229.25682	0.4
235.08127	3.7
241.01204	0.8
243.12349	7.0
253.09258	3.1
255.23227	0.6
259.20517	0.4
275.20264	0.4
277.21695	100.0
278.22052	6.4
401.74991	0.4
405.17728	0.5
443.19189	4.7
461.20337	6.3
577.37091	0.6
618.32837	0.3
702.58221	0.4
721.41650	17.0
722.42395	1.7
781.40564	6.4
782.40973	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.1
61.98700	100.0
98.20625	0.6
148.70035	0.3
149.67282	0.3
195.14056	0.4
205.12260	0.5
209.11830	0.4
218.26607	0.3
223.13313	2.9
224.13660	1.9
225.11314	0.4
225.13936	1.1
277.21704	2.2
278.22195	1.2
279.22333	0.6
333.67520	0.3
367.56384	0.3
655.08588	0.3
782.41608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.4
57.03333	0.5
59.01248	16.4
69.03304	0.7
71.01245	4.6
71.04891	0.9
71.95380	0.3
73.02813	0.9
78.95785	0.8
80.96390	3.3
81.03312	0.4
83.01245	0.8
83.04900	0.6
83.45374	0.4
85.02814	1.0
87.00759	0.6
89.02341	1.9
93.03289	0.4
94.97964	0.9
95.73551	0.3
97.02821	5.9
97.06464	1.0
99.00085	0.5
99.00749	10.2
101.02293	2.6
109.06445	1.1
109.93239	0.3
110.03623	1.3
111.04408	0.5
113.02323	1.7
119.03387	0.4
123.04417	0.5
123.08023	0.7
125.02354	0.7
125.09591	2.4
127.70078	0.3
131.21111	0.3
135.08012	1.0
136.05185	1.3
140.66771	0.4
142.02628	2.2
143.03374	0.6
145.04951	0.4
145.83955	0.3
161.04469	1.0
163.09920	0.3
163.11194	6.5
164.98550	0.5
179.05470	0.6
179.10661	0.4
181.12257	16.4
182.12616	0.6
189.09163	0.6
197.11761	0.9
199.13342	1.4
207.10191	44.4
208.10526	2.2
209.11734	0.9
225.00749	1.0
225.11258	100.0
226.11591	4.3
235.08211	1.6
241.00958	0.5
243.12328	11.7
244.12758	0.8
253.09265	2.8
255.23169	0.4
267.12222	0.4
277.21695	86.2
278.22028	7.1
299.14856	1.1
317.15988	1.0
328.70276	0.4
443.19113	3.6
444.19540	0.8
461.20239	42.2
462.20618	3.6
577.37585	0.5
721.41589	22.9
722.42114	4.5
781.26068	0.5
781.40613	3.5
782.41339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	8.1
59.01248	50.9
60.46328	2.0
67.01775	2.9
67.48820	2.3
68.99690	4.8
69.03322	4.6
70.14235	4.7
70.14631	4.7
71.01247	37.5
72.99179	7.6
73.02814	2.9
75.00740	19.4
78.62804	2.6
78.95748	2.5
83.01252	3.9
83.04883	4.1
85.02814	34.6
85.05141	2.3
87.00743	18.7
88.79465	2.2
89.02329	10.6
93.03340	5.7
95.01269	8.5
96.95896	8.5
97.02845	3.3
98.19859	3.0
99.00771	12.0
101.02312	4.2
103.00264	3.1
108.02060	3.7
111.00751	3.9
113.02325	42.7
119.04913	4.1
121.02848	2.9
125.02342	4.8
127.03899	3.5
129.01794	6.5
132.01978	2.7
133.02794	3.0
134.03651	7.4
135.04471	2.7
137.02303	3.9
139.00340	3.0
145.02844	7.4
149.02428	4.0
149.99597	2.4
151.00249	4.1
153.01801	2.9
160.01549	4.6
161.09714	2.3
163.03908	5.3
163.11136	2.6
168.00565	3.1
175.02420	5.0
175.03941	7.0
187.11212	5.0
189.09190	3.1
191.05524	8.3
193.05013	7.4
205.07053	3.5
205.12375	3.4
207.10213	2.8
216.72803	2.8
249.06175	16.5
263.07697	3.5
267.07156	17.8
281.08740	6.1
284.03244	7.4
285.04065	21.2
309.08362	3.1
331.06738	3.0
333.05991	4.7
413.14410	6.7
447.09396	13.9
472.56186	2.2
491.69305	2.7
499.18216	3.3
564.77405	2.6
591.23932	3.8
637.33142	2.5
763.26941	5.2
781.27777	100.0
782.28571	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	781.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	15.5
60.99170	5.0
61.98696	5.6
65.05586	1.8
71.01258	9.8
71.59203	1.8
71.59595	2.3
72.99179	2.3
73.34361	1.9
75.00774	1.7
83.01259	2.2
83.04903	4.8
85.02831	5.2
87.00753	3.0
88.00265	1.9
88.98681	40.4
89.02342	11.7
93.03320	2.1
95.01266	2.1
96.95905	9.7
101.02336	7.6
113.02347	4.4
121.31540	1.9
125.02303	4.6
137.02209	2.3
151.03926	3.3
161.04520	1.8
163.04019	2.2
163.11249	2.5
165.12732	3.2
171.10234	2.9
183.13832	6.2
197.95181	1.9
205.04933	1.9
209.11780	90.9
210.12143	3.5
211.13351	100.0
212.13695	4.1
227.12894	16.6
235.08179	3.1
253.09245	8.6
291.19678	2.9
323.22195	3.1
392.36682	1.8
397.13547	3.5
445.20786	4.1
447.22403	6.5
639.33984	2.1
781.35681	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	779.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
58.20278	0.3
59.01249	22.0
60.01559	0.2
61.99533	0.3
69.03320	2.1
71.01251	4.0
71.04906	0.8
71.81803	0.2
73.02824	0.5
83.01254	0.4
83.04890	0.5
85.02832	0.9
85.06462	0.5
87.00754	0.9
89.02310	2.9
95.04906	0.4
97.06491	0.3
101.02325	2.8
103.71127	0.3
103.89586	0.2
109.06472	0.5
113.02307	1.6
113.67525	0.2
119.03388	0.9
123.08012	0.3
123.63371	0.2
125.09618	0.3
141.09059	0.3
143.03433	0.6
145.05029	0.4
149.09641	0.4
161.04445	1.8
161.13358	0.4
167.10692	3.1
176.49864	0.3
177.12791	0.7
179.05540	1.2
179.10646	1.4
179.14359	3.4
195.12053	0.5
195.13841	9.6
196.14180	0.4
205.12279	10.3
206.12650	0.5
223.13344	100.0
224.13699	4.9
233.22899	0.3
235.08194	3.0
253.09259	9.0
277.21704	77.6
278.22064	5.8
441.21448	2.5
442.21707	0.4
459.22321	13.0
460.22653	1.6
513.30469	0.6
719.43628	1.7
720.43878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	3.1
61.70223	1.8
69.53573	2.0
70.27056	2.2
71.01254	3.2
73.02783	1.9
89.02333	2.4
94.78867	1.9
101.02297	2.6
113.02344	2.7
201.11234	41.8
202.11464	2.7
209.11752	68.2
210.12067	4.2
221.15312	3.1
225.11194	2.2
227.12721	11.4
235.08098	9.4
247.13312	2.5
253.09235	14.9
277.21710	100.0
278.22104	10.4
289.19928	2.5
293.21371	2.6
419.19351	2.5
437.19952	3.5
445.20605	5.2
513.30750	8.9
574.49323	2.8
777.42853	17.4
778.42615	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	779.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	88.5
60.01596	0.7
65.00201	0.9
69.03342	1.0
69.29864	2.9
69.30282	4.5
71.01250	22.3
72.99144	0.9
73.02814	25.4
83.01254	6.9
85.02829	3.7
87.00723	0.8
89.02296	7.0
95.01251	0.9
96.95926	0.9
97.02821	1.1
101.02319	19.7
105.31759	0.7
106.03627	0.8
107.01254	2.1
113.02336	8.5
117.03351	1.7
119.03407	3.6
131.03372	2.3
137.02377	0.7
143.03404	1.9
149.02394	1.1
149.04474	4.5
151.00264	2.4
155.03386	0.9
160.33844	0.7
161.04449	7.6
171.04291	1.1
179.05600	1.0
203.05518	1.2
211.03915	1.0
221.06630	1.7
239.03502	1.9
240.04240	3.3
267.02847	1.3
268.03741	100.0
269.04462	34.5
270.04739	1.8
303.14169	0.7
311.05539	1.3
374.72745	0.7
376.01666	0.7
412.29657	0.9
431.09790	87.6
432.10062	7.5
681.42371	0.8
693.54468	0.9
744.12659	0.8
786.47046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.8
61.98699	0.5
65.03828	0.4
66.00841	0.3
67.01741	0.3
68.02406	0.2
69.03337	0.3
71.01255	2.1
71.58518	0.4
72.00755	0.4
72.99165	0.3
73.02808	0.5
75.00748	0.7
78.48379	0.2
81.00827	1.2
81.03291	0.2
83.01255	0.8
85.02823	1.1
87.00755	0.5
89.02314	0.7
91.01765	3.2
93.03333	1.0
95.01231	0.6
96.01903	0.4
96.95880	1.2
97.00311	1.6
98.01103	1.0
98.03498	0.3
99.00830	0.4
99.01876	10.2
99.06403	0.2
101.02332	1.0
108.02057	0.8
109.02839	4.3
110.03468	0.9
110.71853	0.2
111.01882	3.0
113.02320	1.2
119.04952	0.4
120.63059	0.3
121.02837	0.4
123.04424	0.5
124.01436	0.7
125.02314	0.7
126.02974	0.7
127.00243	0.4
127.56434	0.2
133.02896	0.4
134.03647	0.4
135.00772	6.7
135.04393	0.4
136.01538	0.7
137.02316	0.9
139.01460	0.5
139.02487	3.0
140.02266	0.4
140.03293	10.2
141.04073	100.0
142.04391	1.1
143.03461	0.2
145.02863	0.3
148.64540	0.2
149.02353	0.9
150.03127	1.6
151.00267	0.3
151.03964	1.4
152.01067	0.9
152.04617	0.3
153.01837	10.1
153.03053	0.7
153.04060	0.5
160.01605	0.4
161.02295	0.5
161.04468	0.6
164.03304	0.5
164.04723	0.8
165.01785	0.9
165.04059	0.9
165.05473	1.0
166.02563	0.7
167.02032	0.5
167.03320	0.3
173.04492	0.4
175.02441	0.4
175.03879	0.5
177.01860	0.5
178.37862	0.2
179.03386	0.3
180.04216	0.3
180.20285	0.2
181.05008	1.1
183.05157	1.0
190.02707	0.5
191.05615	0.6
193.05006	0.6
195.06590	1.1
205.04880	0.6
208.02283	3.9
208.04066	0.3
209.03052	2.0
267.07285	0.4
285.08359	0.6
297.06125	0.9
303.09451	45.8
304.09772	1.5
315.07095	0.6
327.09558	1.1
329.07001	0.9
339.07086	0.3
342.46161	0.3
345.10471	0.8
365.04898	0.4
365.48618	0.3
371.08411	42.4
372.08688	2.6
383.06570	0.4
404.02448	0.3
413.09473	0.4
417.15158	0.4
418.16104	0.4
421.10080	0.7
439.11087	0.3
455.10562	0.7
533.13776	1.3
567.20648	0.4
615.23615	0.5
669.15240	3.5
670.15472	0.7
777.25562	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14773	0.1
57.03336	0.1
59.01251	1.2
61.98702	0.1
63.02266	0.5
65.00195	1.4
65.03833	0.2
67.01756	0.1
69.03330	0.1
69.26062	1.1
71.01251	0.9
72.99178	0.2
73.02831	0.2
75.00724	0.3
81.03320	0.2
81.62332	0.1
83.01251	0.8
85.02828	0.8
87.00744	0.4
89.02310	0.2
89.85621	0.1
91.01768	3.5
92.23321	0.1
93.03339	0.4
94.69519	0.1
95.01242	0.2
96.95879	0.5
97.02824	0.2
97.56095	0.1
98.19690	0.2
99.00755	0.2
101.02351	0.3
105.03328	0.4
107.01268	2.7
108.02035	0.2
109.02838	1.7
113.02332	0.9
119.03371	0.1
119.04924	0.2
121.02831	0.7
123.00785	0.1
123.04350	0.2
125.02317	0.2
129.01831	0.1
132.02078	0.3
133.02843	12.7
134.03236	0.3
135.00771	8.1
135.04398	0.4
136.01149	0.2
137.02327	0.6
141.04065	0.1
143.04938	0.2
145.02756	0.1
147.04398	0.2
149.02342	2.3
149.05876	0.1
150.03053	0.3
151.00273	5.4
151.03867	0.2
152.00977	0.3
153.01839	6.4
154.02202	0.2
155.04904	0.1
160.01563	0.2
161.02330	0.4
161.05927	0.1
163.03886	0.3
164.04639	0.2
165.05449	0.2
169.01376	0.3
169.06474	0.2
171.04417	0.5
173.05946	0.1
174.03131	0.1
175.00464	0.1
175.03915	3.1
176.04323	0.2
177.01797	0.6
179.03528	0.2
185.05960	0.4
185.13223	0.1
187.41280	0.1
189.01878	0.2
189.05478	0.2
190.02692	0.1
191.03177	0.1
191.05466	0.1
193.05045	0.3
195.06577	0.1
197.05994	0.4
198.03091	0.4
199.03923	2.4
201.01892	1.1
205.05005	0.3
205.07121	0.1
209.11700	0.2
211.03874	0.2
213.05489	0.5
215.03415	0.5
217.04997	1.5
223.04048	0.2
223.06029	0.2
226.02705	0.2
229.04887	0.3
239.03395	0.1
240.04300	0.2
241.04961	1.0
243.02928	0.6
249.06232	0.2
255.02982	0.1
257.04605	0.4
258.05231	0.1
260.80963	0.1
267.02966	0.2
267.07220	1.8
279.05078	0.3
284.03284	0.3
285.04025	100.0
286.04373	7.1
287.05518	0.2
291.07248	0.3
315.07352	0.1
335.06140	0.2
339.07190	10.7
340.07434	0.7
777.25287	0.2
777.32336	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	775.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	9.8
59.54029	4.5
60.51588	4.4
61.98700	13.3
64.64068	5.1
71.01237	8.1
71.57832	4.3
71.58217	5.3
75.06813	4.0
78.95774	10.4
96.95890	100.0
98.95463	43.1
98.96294	9.1
99.00802	4.6
101.02328	10.8
113.02291	4.6
152.84984	5.1
152.99466	6.5
169.12239	5.0
171.10173	8.0
209.11772	63.9
210.12199	5.6
211.13348	14.8
227.12897	16.5
253.09235	10.5
260.31537	4.7
293.21140	38.8
313.35883	4.5
375.12238	5.1
641.34735	4.7
775.40985	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	775.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
71.34457	61.0
75.73564	24.0
93.78133	22.9
96.36484	25.5
98.20502	25.6
208.41730	22.5
211.13356	100.0
234.83379	26.7
277.21667	63.1
310.30124	28.3
338.62866	28.8
362.87659	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	775.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
69.03294	0.1
69.35276	0.3
69.35707	0.4
71.01239	0.3
78.95772	1.0
79.95605	2.9
82.27396	0.1
83.04883	0.1
85.02819	0.2
89.02322	0.1
89.42301	0.1
93.03329	0.2
96.95886	100.0
97.95826	0.3
98.02343	0.3
98.20502	0.1
101.02287	0.1
108.02036	0.1
109.02814	0.1
111.00730	0.1
113.02345	0.1
125.02233	0.1
134.03569	0.2
136.01553	0.4
137.02264	0.1
149.02319	0.2
149.05995	0.1
150.03142	0.3
151.03903	0.5
152.01067	0.1
152.04448	0.1
153.01891	0.1
164.04710	0.1
165.01761	0.1
165.05441	0.3
170.94955	0.1
175.03941	0.1
189.96677	0.1
191.05531	0.2
193.04971	0.2
195.06523	0.3
223.06113	0.1
248.05359	0.1
285.03970	0.1
299.09409	0.1
384.37631	0.1
447.27502	0.1
526.10059	0.1
716.50342	0.2
775.32123	0.1
775.46680	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	775.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.6
61.98702	5.4
69.58563	21.7
71.01253	4.4
78.95766	8.5
96.95888	100.0
103.79438	3.0
116.92749	4.4
152.99542	2.9
171.10107	4.3
197.11702	4.6
211.13354	22.1
214.10435	3.5
274.69302	3.2
291.19748	4.9
293.21265	4.3
309.20587	12.1
388.43268	3.3
775.41028	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	775.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19363	1.9
59.01244	3.6
61.98690	3.4
69.28291	15.9
71.01253	4.8
76.45893	1.7
78.95777	3.9
85.32808	2.0
89.02330	3.6
93.36458	1.8
96.95876	2.5
101.02301	2.2
109.11710	1.7
113.02322	2.3
138.31381	1.6
152.99503	2.1
171.10162	85.5
172.10468	3.3
201.11218	5.4
207.10182	6.7
225.07825	2.0
225.11255	41.1
226.11520	2.7
235.08179	11.5
238.88739	2.0
253.09172	12.3
277.21695	100.0
278.22018	9.4
349.19958	1.8
407.19131	6.1
438.27856	1.9
443.18811	8.9
461.20264	10.3
721.41656	23.8
722.42218	2.8
775.41028	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12231	9.7
59.01244	19.0
60.02394	10.4
61.98691	41.0
69.25401	10.1
71.34538	9.2
71.57534	15.6
71.57903	10.9
78.95759	23.8
83.29105	10.9
95.73128	9.8
96.95890	69.4
98.95452	13.5
105.04314	9.5
121.40126	9.5
171.10211	17.5
185.11751	11.2
198.52362	11.4
209.11794	100.0
211.13190	20.2
218.61278	9.8
227.12778	27.9
253.09238	44.2
285.03152	9.8
293.21201	99.2
309.20901	15.8
331.16772	12.6
468.99945	11.4
574.99237	11.2
701.65588	12.5
775.40808	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	8.3
61.98693	8.6
71.01241	5.2
73.02789	3.5
75.54855	2.2
78.95789	4.2
95.01235	2.3
96.95892	2.5
97.61857	2.3
98.20667	4.7
101.02306	4.9
109.06452	9.0
113.02288	2.4
121.02933	2.6
161.45515	2.2
161.86949	2.5
163.11188	5.3
164.68791	2.7
171.10114	16.9
179.05594	2.9
181.08636	4.0
199.09677	37.0
201.11223	8.7
207.10201	46.7
215.12854	3.4
225.11246	44.8
231.98936	3.0
235.08109	5.1
253.09163	18.4
277.21686	100.0
278.21973	6.2
335.39355	2.8
435.18671	11.0
443.19128	7.6
461.20132	14.5
695.39880	41.9
696.40417	6.7
721.41449	41.8
722.41687	5.2
775.40222	16.2
776.41199	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	775.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	5.8
61.98686	6.2
65.58357	1.8
70.81203	5.9
71.01254	5.0
74.68355	2.0
78.95760	3.4
95.04847	2.7
97.02821	2.7
101.02359	2.6
106.46944	2.4
109.06476	4.4
163.11180	4.6
171.10158	29.5
181.08524	3.6
191.48792	2.5
199.09634	16.6
201.11267	3.3
207.10205	24.6
215.22810	1.9
225.08974	2.5
225.11266	53.5
226.11636	2.8
231.90431	2.3
235.08107	9.7
236.47899	2.4
253.09149	15.1
277.21698	100.0
278.22113	8.2
417.17508	2.8
443.19312	8.3
461.20306	16.5
462.20102	2.8
513.30371	5.0
538.03070	2.7
540.78864	2.3
631.84314	2.2
675.04309	2.3
695.40094	32.0
696.39996	4.9
721.41675	29.4
722.42133	5.4
775.40833	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	775.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	32.0
59.24392	0.6
69.49351	3.7
69.49773	1.3
71.01250	8.0
72.99194	0.7
73.02811	1.9
83.01286	1.0
85.02835	3.0
87.00732	1.3
89.02312	3.9
93.03326	1.7
95.01235	1.0
96.95863	0.9
98.19799	1.2
99.00764	1.2
101.02319	7.8
109.02838	1.5
111.00726	0.8
113.02318	4.2
115.00290	0.9
119.03366	1.7
121.02817	0.6
125.02371	1.7
133.02841	1.6
137.02347	0.7
141.04033	1.1
152.01062	1.1
153.01837	0.6
161.04399	1.2
165.12756	1.4
167.03465	0.7
168.00595	0.8
173.04443	1.2
175.02551	0.9
179.05556	0.8
191.05603	3.7
209.11699	3.7
252.82927	0.6
303.09518	0.7
327.07938	0.6
377.12802	0.7
389.18167	100.0
390.18555	8.2
402.87930	0.7
422.27505	0.8
638.06104	0.8
762.67352	0.7
775.21185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.3
67.01760	1.4
69.03308	1.0
70.05621	0.7
71.01244	8.1
71.58342	0.9
71.58730	0.9
72.99168	1.4
73.02817	2.0
74.03156	0.7
75.00742	1.1
81.03290	0.7
83.01249	1.0
85.02819	4.4
87.00775	1.1
89.02305	2.9
93.03330	5.5
95.01250	1.2
96.95876	7.1
97.02853	0.9
99.00770	1.6
101.02313	2.1
107.04948	1.0
108.02035	4.3
109.02842	6.3
111.00745	1.1
113.02327	4.3
119.04939	1.5
121.02831	7.9
122.03622	8.1
122.22733	0.7
123.00718	1.7
123.04357	2.0
124.01548	1.6
125.02348	2.7
130.57626	0.8
133.02795	1.6
134.03618	3.0
135.00729	0.7
135.04405	5.4
136.01553	16.5
137.02341	17.4
138.03104	1.4
139.00272	1.4
139.03902	1.9
145.02812	0.9
147.00755	1.3
147.04388	1.6
149.02344	11.2
150.03125	43.3
151.00288	5.8
151.03918	21.8
152.01031	5.1
153.01840	6.5
154.02563	0.8
159.04416	0.7
160.01549	1.9
161.02287	1.4
161.04474	1.0
161.05962	1.0
162.03142	1.3
163.03888	2.9
164.01054	2.1
164.04732	3.7
165.01836	64.1
165.05476	46.3
166.02635	21.4
166.05777	1.1
167.03352	3.5
168.00505	1.1
172.05141	0.8
172.73775	0.7
172.89468	0.7
173.04512	1.4
175.02425	1.2
175.03877	5.4
176.04637	1.2
177.01851	2.6
177.05446	1.4
178.02582	1.6
179.03413	17.9
179.06943	0.9
180.04192	42.1
181.01483	0.8
181.04971	24.2
181.06548	1.5
182.05362	0.7
183.13800	0.9
187.04034	1.1
189.05499	3.3
190.02649	2.2
190.06282	3.1
191.03455	1.2
191.05557	2.0
192.04214	1.2
193.05034	4.5
194.05731	4.0
195.02792	2.3
195.06554	100.0
196.06876	3.9
205.05006	3.1
207.06566	2.1
210.05234	7.7
211.05870	1.0
223.06114	2.1
225.07628	45.6
226.08012	1.8
236.61415	0.7
243.06552	1.7
267.07117	2.2
284.03259	1.5
285.04034	3.1
309.08420	0.9
315.07196	3.2
331.06458	0.8
342.11310	1.3
343.11914	2.8
356.12625	1.0
357.09744	4.2
357.13297	4.2
358.10440	0.9
359.11285	1.2
372.12119	2.8
373.12759	1.9
386.13489	2.1
387.14505	38.7
388.14954	3.0
402.12897	0.8
403.13959	4.7
417.15500	15.6
418.15945	1.9
472.12384	0.8
496.32550	0.8
535.19208	2.2
565.20782	36.3
566.21106	5.3
583.22119	1.4
595.21387	1.8
613.22809	21.5
614.23169	3.5
775.26892	5.5
776.28204	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.5
57.03306	3.9
58.00453	2.2
59.01251	55.6
59.86277	1.1
61.98687	1.5
69.03313	3.4
71.01256	46.9
71.59510	1.7
72.99171	7.4
73.02807	3.6
75.00737	8.1
83.01250	3.3
85.02824	18.5
87.00739	6.8
89.02314	36.7
93.03315	2.8
95.01257	7.3
96.95908	8.2
97.02824	3.2
99.00772	7.9
101.02310	17.7
103.00220	1.6
106.93063	1.3
108.02054	66.8
109.02264	1.2
109.02845	17.6
111.00729	2.5
111.08028	2.2
113.02328	25.3
115.00167	2.1
117.03375	1.4
119.03384	13.7
119.04798	1.7
121.02787	3.6
123.00732	2.5
123.04366	2.0
125.02308	4.6
131.03362	1.8
132.02005	1.6
133.02818	2.8
134.03590	9.0
135.00777	1.6
135.04382	3.9
136.01584	2.1
137.02328	5.1
139.00262	5.4
143.03394	2.9
145.02739	1.5
149.02357	14.2
149.04417	1.3
149.06058	1.6
150.03169	5.9
151.00272	3.7
151.03896	5.7
152.01056	100.0
153.01865	14.6
160.01529	3.5
161.02275	1.5
161.04408	3.7
161.05875	1.1
162.03079	2.6
163.03877	4.6
164.04691	9.6
165.01886	2.3
165.05496	7.8
165.12750	17.6
166.02600	2.9
167.03450	1.3
173.04445	1.5
175.00253	5.7
175.03922	7.3
177.01802	3.7
177.05498	1.8
179.03445	2.6
179.05496	7.0
179.06993	2.5
180.04071	1.5
181.04889	1.5
183.13826	18.3
189.01866	1.3
190.02654	13.4
191.03366	1.1
191.05533	2.5
192.04202	1.6
193.04967	7.4
195.06453	3.4
205.04979	12.2
207.06628	2.3
209.04456	1.5
209.11781	3.7
223.06102	12.0
225.07562	2.1
227.12793	3.9
249.05997	3.6
251.24333	1.2
267.07129	6.9
284.03201	4.1
285.04007	27.7
286.04297	2.4
297.06039	2.9
315.07251	7.9
331.06656	1.4
507.18854	11.3
508.19040	1.4
521.19891	1.7
565.20514	4.2
599.23199	4.9
713.26483	1.5
731.27667	11.2
775.26550	88.0
776.26788	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	773.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03386	14.3
57.39037	16.2
59.01247	42.7
61.98689	21.9
69.70265	16.1
70.15395	56.1
71.01250	22.2
77.31696	15.3
78.95766	43.1
96.95907	100.0
98.20466	24.3
107.27101	16.5
109.70732	17.4
116.92720	19.6
117.92768	18.0
118.96823	36.3
123.49329	15.3
140.44508	17.8
149.16425	16.2
152.99464	18.4
155.10698	19.0
157.10092	18.7
171.10124	24.8
209.11665	27.0
211.13399	45.3
222.57698	17.5
277.21408	17.1
289.18063	19.0
300.31784	15.6
307.19473	16.3
324.22220	18.6
442.62799	16.0
622.06482	18.3
728.64514	17.6
735.48157	18.1
773.40900	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	773.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	23.0
60.67699	2.8
61.98690	10.6
68.17917	3.0
70.73214	7.6
71.01263	20.0
73.02821	4.4
75.00750	4.9
83.01253	4.0
83.04908	3.9
85.02829	9.2
87.00706	3.9
87.69662	3.2
89.02318	4.5
93.03345	24.6
95.01289	4.0
96.95893	34.4
101.02291	7.2
108.02061	5.3
109.02814	5.4
113.02322	9.5
121.02839	4.7
123.04462	3.7
125.02369	4.0
134.03564	5.5
135.04395	5.0
137.02335	52.6
149.02321	5.1
151.03960	4.9
152.01083	3.8
153.01811	5.7
160.01530	3.6
161.04504	5.6
163.03831	3.5
164.04697	27.5
165.12630	4.1
166.02510	4.1
175.00374	4.2
179.07031	25.8
190.02592	4.7
193.05016	7.1
198.61742	3.2
205.39452	3.2
209.11769	100.0
210.12207	3.4
211.13306	3.8
223.06088	8.3
227.12909	24.9
243.06534	12.0
253.09332	8.7
285.04056	5.9
304.07803	8.2
305.08340	4.1
327.21716	7.7
369.50903	3.6
372.06845	3.7
373.07162	3.9
398.96365	3.1
405.12064	3.9
445.20639	11.8
584.86127	3.3
773.37665	27.7
774.38165	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	773.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.2
61.98669	0.1
71.01252	0.8
71.35785	0.2
73.02843	0.1
77.78197	0.1
78.95776	2.1
79.40115	0.1
79.95611	3.0
85.02813	0.1
87.00743	0.1
89.02322	0.1
94.92435	0.1
94.97969	0.1
96.00832	0.1
96.95891	100.0
96.96879	2.8
97.95816	0.2
98.02341	0.6
118.96506	0.1
142.17929	0.1
144.98041	0.1
171.10184	0.4
185.11790	0.1
207.10207	0.2
209.11716	0.2
211.13292	0.1
217.00113	0.2
229.96678	0.1
253.09270	0.2
263.13867	0.1
277.21729	0.2
293.21188	0.3
361.04608	0.1
402.92990	0.1
407.17554	0.2
435.08365	0.5
453.09076	0.8
495.09793	0.1
546.53577	0.1
600.88965	0.1
713.30969	0.6
714.30981	0.1
773.42059	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	773.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.3
61.98685	0.3
71.01244	0.7
78.95769	2.8
79.95602	2.9
85.02782	0.1
87.00733	0.1
89.02307	0.2
90.97008	0.2
92.95840	0.1
94.92376	0.1
95.97453	0.1
96.95887	100.0
96.96873	2.8
97.02811	0.1
97.95811	0.4
98.02372	0.3
98.20580	0.3
101.02314	0.2
118.96540	0.4
124.25539	0.1
144.98059	0.1
146.96078	0.1
152.99472	0.1
156.98140	0.1
169.12186	0.1
171.10260	0.1
172.10544	0.1
185.11775	0.1
209.11806	0.3
211.13316	0.2
217.00142	0.1
253.09221	0.1
259.01489	0.1
277.21454	0.4
291.03970	0.1
291.19586	0.1
319.03430	0.1
327.21744	0.1
361.04532	0.3
397.13562	0.2
407.17462	0.4
415.14777	0.1
435.08136	0.8
453.09238	1.2
454.09698	0.1
509.06439	0.1
532.84027	0.1
578.10828	0.1
713.30573	1.3
714.31012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01030	0.1
59.01257	1.5
61.98693	0.2
62.53842	0.1
65.03836	0.9
69.26784	0.6
69.27206	1.1
71.00929	0.2
71.01262	1.5
73.02818	0.4
81.03383	0.2
83.01265	0.6
85.02817	0.9
86.88117	0.2
87.00761	0.2
89.02309	0.3
91.01770	2.2
93.03341	55.1
94.03677	1.4
95.01250	0.3
96.95885	0.6
97.02833	0.2
99.00773	0.3
101.02330	0.6
107.04890	0.1
108.02074	0.3
109.02863	1.3
111.00732	0.2
113.02332	0.8
119.03361	0.2
121.02847	0.3
125.02337	0.6
127.00253	0.2
133.73476	0.1
134.03616	0.2
135.00787	4.3
135.04353	0.2
136.01517	0.1
137.02350	100.0
138.01677	0.3
138.02676	3.2
141.04082	0.2
149.02350	0.6
150.03093	0.5
151.00256	0.3
151.07565	0.1
152.01050	0.4
153.01848	4.1
160.01505	0.2
161.02345	0.5
161.04449	0.3
163.03853	0.2
164.04680	0.7
165.05460	0.5
168.47580	0.2
175.00270	0.5
175.03954	0.2
179.03484	0.2
179.07028	0.3
190.02623	1.5
191.03117	0.1
193.01262	0.2
193.05081	0.3
195.06500	0.4
205.05034	1.4
209.11751	0.2
222.01471	0.1
223.06104	1.2
229.03470	1.2
243.06583	0.3
267.07239	0.5
279.05283	0.2
284.03491	0.1
285.04089	0.6
297.06143	0.8
299.07730	5.0
299.67978	0.2
300.08206	0.2
315.07166	0.2
323.07773	0.5
339.07559	0.2
365.05249	0.4
367.06622	1.5
391.08511	0.2
489.50830	0.2
527.10809	0.2
577.26813	0.3
611.17719	0.3
632.47705	0.1
773.18890	0.3
773.31744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.5
57.03344	0.8
59.01250	4.6
62.57097	0.4
63.02285	0.9
65.00243	1.0
69.03349	1.2
70.82841	0.4
71.01257	4.2
71.58353	0.4
71.58779	0.4
72.99200	0.8
73.02832	1.0
75.00758	0.9
76.87714	0.4
83.01282	1.3
85.02834	2.9
87.00794	1.4
89.02351	1.4
89.76637	0.3
93.03336	5.8
93.03886	0.4
95.01276	1.0
96.95900	2.6
97.02872	0.7
99.00781	0.7
101.02328	2.1
107.01284	1.8
107.04977	0.4
108.02054	10.5
109.02860	5.7
110.03221	0.4
111.00780	0.6
113.02322	2.0
117.03354	0.4
119.03413	0.4
119.04961	1.4
121.02853	2.3
123.00798	0.9
123.04427	0.9
125.02368	1.5
129.01907	0.4
132.02094	0.8
133.02838	6.3
133.04970	0.4
134.03659	3.0
135.00806	0.8
135.04428	2.4
136.01569	0.8
137.02345	7.2
137.03322	0.7
137.05997	0.7
139.00302	0.4
141.04106	0.7
141.45734	0.4
145.02876	0.7
147.04439	0.8
147.08083	0.5
149.02356	3.4
149.06023	1.2
150.03159	1.7
151.00278	4.6
151.03957	1.1
152.01057	15.8
153.01840	11.3
155.03304	0.8
160.01602	1.6
161.02344	1.1
163.03911	1.1
164.04730	1.2
165.05476	1.0
166.02681	0.5
167.03368	0.8
173.04498	1.1
175.00290	0.4
175.03909	5.0
177.01869	1.2
179.03452	0.6
181.05042	1.9
183.13882	0.5
185.06042	0.7
189.05400	0.5
190.02609	1.1
191.03738	0.4
191.05482	2.2
193.04973	1.9
195.06584	0.8
199.03859	2.3
201.01883	0.7
205.05038	1.2
209.08167	0.5
213.05605	0.7
215.03473	0.8
217.05051	1.4
223.06099	1.7
229.05225	0.6
239.03271	0.5
239.05737	0.6
241.04979	0.7
243.02988	0.6
255.02919	0.9
257.04523	0.8
267.06888	0.5
281.06671	2.9
284.03290	4.6
285.04031	100.0
286.04382	6.7
286.07590	0.6
286.08673	0.3
297.06213	0.7
300.02609	0.8
301.03473	1.1
315.07138	1.2
325.09180	0.4
383.06021	0.5
385.10898	0.5
435.09344	6.5
436.09399	0.6
447.08978	0.6
449.11060	0.6
551.25140	0.9
579.12415	0.5
597.05511	0.6
597.14563	9.5
598.14746	1.2
611.13947	12.5
612.14203	1.8
773.18945	16.8
773.30603	1.2
774.19128	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	773.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
57.57744	0.4
58.00462	0.6
59.01249	5.9
61.98712	3.3
65.03841	0.7
69.03305	0.6
71.01242	5.3
71.06997	0.9
72.99171	0.7
73.02827	1.1
75.00751	0.7
78.95775	0.9
82.95284	1.0
83.01250	1.4
83.02374	0.9
83.04875	1.0
85.02816	2.7
87.00756	0.6
88.43065	0.5
89.02311	1.7
93.03331	54.9
94.03687	1.4
95.01248	1.2
96.95885	7.3
97.02828	0.7
98.95454	0.6
99.00745	1.1
99.01893	1.6
101.02319	2.2
108.02041	1.5
109.02832	1.0
111.00698	0.5
113.02328	1.9
116.92686	0.5
117.03301	0.6
119.03357	0.6
119.04910	0.7
123.00772	0.8
123.04382	0.5
125.02325	2.1
134.03606	1.1
135.00731	0.7
135.04419	0.4
136.04854	0.4
137.02336	100.0
138.02647	3.3
140.03287	1.4
140.45010	0.5
141.01590	0.5
141.04071	11.0
142.04430	1.6
149.02325	2.2
149.99420	0.5
150.03130	0.8
151.00294	0.8
151.03880	0.7
151.76274	0.5
152.01027	2.5
153.01801	1.1
160.01582	0.6
161.02397	0.6
161.04424	1.1
163.11203	0.5
164.04680	1.3
165.05441	0.5
167.03439	0.7
169.01505	0.5
171.10170	1.6
175.03941	0.6
183.13881	0.6
185.11719	0.6
190.02649	1.0
191.03452	0.7
193.05000	0.9
199.13286	1.0
205.05061	1.3
207.10310	0.5
209.11787	4.7
210.12129	0.8
211.13330	0.9
223.06078	1.7
227.12801	4.0
229.14397	0.7
235.08138	0.6
243.06612	1.8
248.45869	0.6
253.09242	1.9
262.81494	0.5
269.04510	0.9
284.03250	0.7
285.04028	3.6
291.19772	0.7
299.07800	4.2
303.09390	4.7
304.09793	2.8
305.09772	0.9
309.20737	1.0
325.19980	0.5
327.21756	4.1
331.06717	0.6
367.06677	1.9
371.08414	2.5
372.08664	2.1
373.08682	0.7
403.14026	0.6
441.10605	0.5
459.11285	0.9
667.38654	0.6
773.36993	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	3.3
59.01240	9.9
61.98687	0.9
69.03318	2.0
71.01244	11.1
71.04891	5.5
71.06086	1.9
73.02809	3.2
79.95599	1.0
80.02538	0.7
81.03318	1.0
83.01276	1.2
83.04883	2.6
85.02808	3.4
87.00745	2.4
87.47178	0.8
89.02322	4.1
93.03340	0.9
95.04881	2.3
96.95886	12.7
97.02830	6.9
97.06440	5.2
99.00755	22.4
101.02316	6.0
109.02854	1.0
109.06464	3.9
110.03608	1.5
111.08044	4.9
113.02298	3.3
119.03324	1.1
123.08039	4.2
125.09598	11.3
133.16783	0.8
135.08034	1.9
136.05106	1.1
142.02634	1.4
145.05013	1.0
151.11131	1.0
153.09094	1.1
153.12791	1.7
161.04431	2.4
163.11189	18.6
165.12738	1.8
169.12294	2.0
171.08751	1.7
171.10185	26.4
172.10568	1.3
179.10738	1.8
181.12244	26.0
181.14691	1.1
183.13739	2.5
185.11719	1.4
189.09149	1.0
197.11768	18.6
198.12027	1.6
199.13335	13.3
201.11252	4.8
207.10187	33.5
208.10532	2.3
209.11742	14.4
210.11963	1.0
211.13348	4.9
222.30647	0.8
224.90575	0.9
225.11264	49.9
226.11618	3.1
227.12773	2.6
235.08133	4.1
243.12352	20.1
243.14592	0.8
244.12662	1.3
253.09186	9.5
261.04568	0.8
279.94839	0.8
289.17825	1.5
291.19638	11.6
292.20081	1.1
305.34586	0.9
307.19012	1.3
309.20679	21.5
310.21124	2.0
325.20111	3.2
327.21573	2.1
387.24399	1.0
461.20428	5.6
479.21286	5.9
545.29633	1.3
753.40314	2.4
769.47290	0.9
771.41602	100.0
772.41931	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66937	0.4
57.03316	1.1
59.01247	8.1
61.98702	16.3
71.01252	4.9
71.59079	0.5
72.99181	1.0
73.02821	1.3
75.00718	0.5
78.23984	0.4
78.95770	0.6
80.64426	0.4
80.96378	0.9
81.03346	0.4
83.01270	1.2
83.04884	0.8
83.67667	0.4
84.02017	0.5
85.02812	2.5
87.00728	0.8
89.02295	2.0
93.03312	1.0
95.01270	0.8
96.95885	11.4
97.00333	1.2
98.01103	0.9
98.95456	0.5
99.00821	0.6
99.01875	11.2
101.02333	3.1
108.02078	1.0
109.02815	0.8
109.06483	0.6
110.03462	0.7
111.01895	2.2
112.91686	0.4
113.02333	2.5
116.92742	0.6
119.03371	1.2
121.02843	1.3
124.01368	0.7
125.02311	1.3
126.02862	0.5
133.77298	0.4
134.03587	0.8
135.04408	0.6
137.02307	0.7
139.01424	0.6
139.02502	2.0
140.03302	9.4
141.04076	100.0
142.04422	1.4
149.02341	1.2
150.03073	0.6
152.01079	0.6
153.01775	1.2
153.02936	0.6
153.04070	0.7
160.01573	1.0
161.04459	0.8
163.03915	0.5
163.11102	0.6
164.03438	0.5
164.04710	1.1
165.01736	0.8
165.04044	0.8
165.05492	0.6
165.12762	0.7
167.03410	0.7
171.10159	1.5
175.03925	0.6
179.06937	0.6
181.04979	0.4
183.05151	0.5
183.13791	0.6
190.02638	1.1
193.04941	0.7
195.36852	0.5
197.11746	0.4
205.04974	1.0
207.10150	0.8
208.02264	2.5
209.02962	1.1
209.11786	7.7
211.13335	1.4
223.06108	1.8
225.11208	1.0
227.12717	1.0
229.03419	0.6
245.26436	0.5
253.09196	0.8
285.03992	0.8
289.07132	1.0
289.18137	0.6
291.19434	0.4
303.09442	54.9
304.09869	3.3
307.19278	0.8
325.20172	1.7
327.21832	0.7
328.07550	0.4
371.08405	31.5
372.04279	0.5
372.08368	2.2
467.22980	1.1
496.13474	0.5
621.47394	0.5
735.38007	1.2
771.32605	5.8
772.34253	1.3
773.57959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66937	0.4
57.03316	1.1
59.01247	8.1
61.98702	16.3
71.01252	4.9
71.59079	0.5
72.99181	1.0
73.02821	1.3
75.00718	0.5
78.23984	0.4
78.95770	0.6
80.64426	0.4
80.96378	0.9
81.03346	0.4
83.01270	1.2
83.04884	0.8
83.67667	0.4
84.02017	0.5
85.02812	2.5
87.00728	0.8
89.02295	2.0
93.03312	1.0
95.01270	0.8
96.95885	11.4
97.00333	1.2
98.01103	0.9
98.95456	0.5
99.00821	0.6
99.01875	11.2
101.02333	3.1
108.02078	1.0
109.02815	0.8
109.06483	0.6
110.03462	0.7
111.01895	2.2
112.91686	0.4
113.02333	2.5
116.92742	0.6
119.03371	1.2
121.02843	1.3
124.01368	0.7
125.02311	1.3
126.02862	0.5
133.77298	0.4
134.03587	0.8
135.04408	0.6
137.02307	0.7
139.01424	0.6
139.02502	2.0
140.03302	9.4
141.04076	100.0
142.04422	1.4
149.02341	1.2
150.03073	0.6
152.01079	0.6
153.01775	1.2
153.02936	0.6
153.04070	0.7
160.01573	1.0
161.04459	0.8
163.03915	0.5
163.11102	0.6
164.03438	0.5
164.04710	1.1
165.01736	0.8
165.04044	0.8
165.05492	0.6
165.12762	0.7
167.03410	0.7
171.10159	1.5
175.03925	0.6
179.06937	0.6
181.04979	0.4
183.05151	0.5
183.13791	0.6
190.02638	1.1
193.04941	0.7
195.36852	0.5
197.11746	0.4
205.04974	1.0
207.10150	0.8
208.02264	2.5
209.02962	1.1
209.11786	7.7
211.13335	1.4
223.06108	1.8
225.11208	1.0
227.12717	1.0
229.03419	0.6
245.26436	0.5
253.09196	0.8
285.03992	0.8
289.07132	1.0
289.18137	0.6
291.19434	0.4
303.09442	54.9
304.09869	3.3
307.19278	0.8
325.20172	1.7
327.21832	0.7
328.07550	0.4
371.08405	31.5
372.04279	0.5
372.08368	2.2
467.22980	1.1
496.13474	0.5
621.47394	0.5
735.38007	1.2
771.32605	5.8
772.34253	1.3
773.57959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.5
57.03315	3.4
58.00476	1.2
59.01249	39.6
61.98695	1.8
65.00180	2.0
65.03831	4.5
67.01741	2.2
69.03333	7.6
69.46468	5.3
69.46874	2.5
71.01254	32.9
71.01658	1.7
72.01594	1.3
72.44876	0.9
72.99166	4.2
73.02818	7.6
75.00748	4.2
81.03325	2.4
83.01250	5.8
85.02820	16.6
85.31420	1.1
87.00760	5.5
89.02314	13.6
91.01772	4.7
93.03337	8.3
94.03652	1.4
95.01256	5.6
96.79354	1.0
96.95887	9.7
97.02822	3.9
97.06453	1.4
98.19877	1.5
98.95393	1.5
99.00747	5.4
99.04459	1.1
101.02317	15.4
104.46641	0.9
107.01261	1.2
108.02055	7.9
109.02834	57.0
110.03127	1.2
111.00758	2.2
113.02330	16.1
115.00253	1.5
116.92667	1.3
119.03376	3.9
119.04902	4.0
121.02836	2.8
122.03605	1.5
123.00777	5.3
123.04401	2.3
124.01550	9.8
124.83917	1.0
125.02336	37.5
126.02640	1.4
127.00240	1.2
129.01833	1.8
130.74321	1.0
131.03435	1.1
132.02023	1.3
133.02873	3.2
133.04984	1.0
134.03621	5.6
135.00763	19.2
135.04402	3.4
135.06555	1.4
137.02341	11.0
138.02689	1.4
139.03940	2.4
141.01848	1.4
141.04059	2.9
143.03336	2.7
145.02855	2.8
149.02322	5.9
149.05913	1.6
149.99484	17.8
150.03062	2.9
151.00191	3.7
151.03908	3.8
152.01064	8.7
153.01833	100.0
154.02177	4.6
159.02951	1.1
159.04338	1.6
160.01529	5.1
161.02319	2.8
161.04483	3.0
161.05850	0.9
163.03908	3.7
164.04642	3.2
165.01802	3.0
165.05405	2.9
166.02600	1.9
167.03426	2.9
168.00545	38.1
169.01173	4.4
173.04434	3.5
175.00223	1.4
175.02568	1.4
175.03905	5.6
176.01115	1.5
177.01801	4.8
177.05606	1.0
179.03452	2.0
179.05537	1.8
180.03981	1.2
181.05000	1.3
183.13908	1.4
185.00842	2.7
190.02652	5.1
191.03299	1.8
191.05551	5.0
193.04984	6.5
195.06523	2.2
205.04988	3.6
223.06026	3.9
249.06136	1.4
255.02930	3.6
261.91055	1.0
269.04504	3.5
279.10922	1.5
283.02417	1.3
284.03171	4.9
285.04056	4.9
287.05515	1.3
289.07285	1.2
297.06329	5.7
297.11966	2.7
299.05496	5.8
301.03360	1.3
303.09280	1.8
313.05573	5.3
315.03937	1.5
315.07239	18.0
316.07599	1.2
331.06683	76.1
332.07120	6.6
339.07202	2.9
339.12589	1.2
361.29626	2.5
365.05945	1.7
365.10822	7.7
383.06241	6.1
399.05719	15.0
400.05994	1.4
504.33102	1.1
504.50842	1.1
505.33585	2.5
507.19894	1.3
523.34558	3.7
549.21130	2.1
565.25177	2.3
591.13397	2.6
595.22485	1.1
609.15192	1.5
630.63745	1.4
666.37823	4.6
667.38867	29.1
668.38806	2.4
684.38971	2.8
685.39911	17.1
727.40900	4.6
771.27155	27.2
772.26361	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	771.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
59.01251	6.5
61.98696	0.7
66.77416	0.4
67.01764	0.6
69.03313	3.2
69.38794	4.1
71.01245	5.2
72.99182	0.7
73.02831	0.7
75.00768	0.6
81.03342	1.3
83.01276	1.8
85.02824	3.5
87.00733	1.1
89.02328	1.4
93.03310	2.2
95.01274	2.1
96.95898	1.7
97.02823	2.5
99.00773	0.9
101.02313	2.8
107.01276	1.8
108.02074	2.5
109.02823	3.4
111.04463	0.4
113.02310	2.3
117.03381	0.4
119.04906	1.1
121.02865	1.5
123.00753	4.9
123.04446	1.2
124.01546	11.7
125.02332	49.8
126.02685	1.1
133.02855	1.0
134.03596	2.1
135.00739	0.7
135.04445	1.3
136.01614	0.7
136.44325	0.4
137.02330	3.8
139.03926	0.7
141.01712	0.5
141.04070	0.9
143.03403	0.6
145.02850	0.9
149.02356	3.8
149.99484	22.6
150.03145	1.7
151.00291	3.4
151.03893	1.4
152.01047	2.1
153.01851	3.6
153.05507	0.6
160.01561	1.8
161.02415	1.2
161.04451	0.6
163.03937	1.3
164.04666	1.5
165.01822	0.9
165.05499	1.4
166.02592	0.5
167.03386	2.3
168.00546	56.3
169.01291	6.5
173.04478	1.0
175.00177	0.7
175.03885	1.8
176.01103	0.9
177.01833	1.0
178.02589	0.5
179.03404	1.5
189.05504	0.5
190.02628	1.8
191.03473	1.2
191.05508	1.5
192.00603	0.8
193.01311	1.2
193.03217	0.4
193.04996	2.0
195.06578	1.0
205.05034	1.8
208.03772	0.5
208.06076	0.4
211.02370	0.7
223.05942	2.1
223.13287	0.6
255.02931	7.8
256.03641	1.2
283.02466	7.3
284.03238	6.7
285.04013	12.0
286.04352	0.7
297.04117	0.6
313.05743	8.7
315.07175	1.7
331.06671	100.0
332.06998	5.7
383.06039	0.6
399.05615	20.8
400.05881	1.7
403.19794	2.3
447.09058	1.3
463.09924	0.8
591.13544	0.5
592.14368	4.4
593.14948	2.2
609.25464	1.7
651.26282	0.6
667.38214	0.9
685.39825	0.6
771.27057	24.7
772.27899	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	771.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.7
61.98726	0.6
63.02280	1.7
65.00209	1.3
68.41634	0.6
69.03330	1.0
71.01246	4.1
71.58805	1.0
73.02828	1.4
74.93945	0.6
75.00751	1.3
81.04860	0.6
82.03170	0.6
82.25375	0.7
83.01256	1.4
85.02827	3.6
87.00784	1.8
89.02335	2.1
93.03342	5.5
95.01287	1.3
96.95890	3.5
99.00768	1.0
101.02331	2.9
105.03370	0.7
107.01289	2.8
108.02070	2.0
109.02841	4.0
111.04462	0.6
113.02332	2.6
117.03301	0.9
119.03432	0.7
121.02856	1.7
122.99284	0.7
123.00791	0.9
123.04443	1.1
125.02348	3.7
132.02072	1.2
133.02840	5.5
134.03632	2.7
135.04460	1.9
137.02344	5.0
141.04094	1.2
145.02849	1.2
146.03650	2.1
149.02347	2.9
149.99477	1.0
150.03035	0.7
151.00272	6.1
151.03944	1.9
152.01042	2.2
153.01877	3.6
159.04529	1.2
160.01604	2.7
161.02368	1.9
161.04465	1.4
161.05956	0.8
163.04005	0.9
164.04718	2.3
165.05479	1.2
166.02725	0.7
167.03513	0.8
168.00554	2.9
169.01396	1.1
173.04494	2.6
175.00203	0.8
175.03952	3.5
176.04329	0.6
177.01860	1.2
179.03383	1.1
179.07048	1.8
181.04941	0.8
183.04477	1.2
190.02693	1.7
191.05542	1.2
193.04996	2.6
195.06581	1.0
199.03963	1.7
201.01918	0.7
205.05132	1.1
211.03951	1.9
217.05035	0.9
223.06079	2.7
227.03513	2.3
255.02959	100.0
256.03479	10.0
269.04517	1.5
283.02463	94.5
284.03223	87.7
285.04001	87.4
286.04349	12.3
287.04578	5.7
297.04022	2.2
298.04532	0.8
299.05560	1.9
300.06042	2.3
301.06204	1.2
313.03439	2.4
315.07181	1.4
325.03662	0.7
326.04221	1.9
327.05182	7.6
327.08698	1.2
328.05582	1.7
331.06702	5.3
338.64853	0.7
339.05148	1.0
369.06210	1.8
386.06488	2.5
387.07114	1.7
399.06015	0.8
413.08685	1.0
429.08212	0.8
445.09183	4.6
446.09207	1.4
447.09030	6.9
447.13428	0.6
448.09097	0.8
471.09329	2.9
475.08658	1.2
513.10181	4.3
521.32855	0.8
531.11121	0.9
591.13519	28.8
592.14215	37.3
593.14886	10.8
594.15234	1.6
638.66882	0.8
667.38947	0.7
741.20093	2.1
753.20258	2.9
771.19452	9.2
771.40369	1.5
772.21191	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.8
63.02282	0.6
65.00184	0.7
65.42891	0.6
71.06129	1.8
77.24769	0.7
83.01266	0.9
85.02840	0.9
93.76254	0.6
96.95911	0.7
102.77051	0.7
107.01284	1.6
109.02824	1.3
119.86800	0.6
135.00761	0.8
135.04362	0.7
147.00850	0.6
151.00269	8.0
163.00227	1.0
165.02020	0.7
171.04445	0.8
175.00383	0.9
175.03932	0.8
178.99796	2.4
191.05513	1.8
199.03856	3.3
201.01942	1.2
215.03493	1.9
226.02614	0.8
227.03401	2.8
243.02959	5.4
254.02194	0.8
255.03018	5.2
271.02475	68.1
272.02756	5.4
285.04282	0.9
299.01959	100.0
300.02652	36.1
301.03506	33.4
302.03860	2.4
313.03091	0.9
343.04462	1.2
462.07993	14.6
463.08667	6.5
563.53241	0.7
609.14618	37.7
610.14880	5.3
771.19861	52.3
772.20367	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	771.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
59.01253	6.1
61.98709	0.6
63.02272	1.0
64.99902	0.6
65.00216	1.3
66.83427	0.4
69.03328	0.6
69.22010	0.5
69.51402	4.1
71.01247	5.9
72.99191	0.9
73.02820	0.8
75.00744	2.0
75.35263	0.4
83.01276	1.4
85.02816	3.3
87.00763	1.2
89.02316	1.5
93.03345	1.2
95.01269	0.7
96.95890	1.9
99.00774	1.7
101.02332	1.9
105.44784	0.6
107.01279	2.1
108.02065	1.7
108.35686	0.5
109.02831	2.6
113.02337	2.4
119.04903	1.2
121.02835	0.8
122.03544	0.5
125.02309	2.4
129.01810	0.6
133.02834	4.1
134.03627	1.7
135.00777	1.0
135.04375	1.5
135.78661	0.6
137.02336	1.3
141.04097	1.4
146.03629	2.0
147.04425	0.7
149.02361	2.3
151.00291	5.2
151.03951	0.7
152.01050	1.7
153.01816	4.7
154.01379	0.8
160.01532	0.8
161.02307	0.7
161.04370	0.7
161.05943	0.5
163.03922	1.1
164.04694	1.7
165.05447	0.6
167.03357	0.6
168.00508	0.7
173.04501	0.7
175.03900	2.6
177.01833	0.8
179.07048	0.9
183.04500	0.9
190.02579	0.6
191.05373	0.6
191.07063	0.6
193.04990	1.1
197.05907	0.5
199.03883	2.5
205.04990	1.3
211.03882	1.0
215.03354	0.5
217.04955	1.3
223.06116	1.3
227.03455	1.8
241.05035	1.2
243.06462	0.7
249.06134	1.1
255.02951	83.8
256.03574	13.0
257.04401	0.8
268.03699	0.9
269.04547	1.1
272.28394	0.6
281.04489	1.1
283.02457	100.0
284.03210	62.0
285.04004	86.5
286.04349	5.3
296.03168	1.3
297.03961	3.4
298.04517	1.0
309.04028	1.1
313.03513	11.5
313.06848	1.0
315.07263	1.4
325.03549	1.4
326.04425	0.5
327.05063	2.2
331.06799	0.8
357.25641	0.6
359.27921	1.8
367.04446	1.1
427.54187	0.6
429.07742	0.7
433.09109	2.5
445.09293	7.9
446.09323	1.0
447.09293	15.8
448.09525	1.5
463.10321	8.2
464.10541	1.0
475.08725	1.5
521.33478	2.9
532.45142	0.6
591.13538	4.3
592.14270	53.3
593.14966	14.5
594.15393	1.2
667.39392	0.7
741.20062	1.4
770.39618	1.2
771.20142	5.0
771.40454	12.0
772.21893	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1995
Annotation	Quercetin 3-(3R-glucosylrutinoside)
Peak:m/z	Relative Intensity
59.01242	4.8
63.02244	1.0
65.00188	2.4
67.13438	1.2
71.01253	3.1
83.01245	2.0
85.02815	2.8
87.00763	2.5
93.03345	2.9
96.95852	1.8
101.02303	2.6
107.01275	5.4
108.02043	2.2
109.02828	3.4
119.03407	1.2
121.02882	7.0
123.42424	1.2
124.33920	1.1
125.02296	2.2
129.01849	1.7
135.04451	1.6
137.02315	1.7
137.05984	4.2
143.04616	1.1
149.02350	2.4
151.00284	26.9
153.09085	1.4
158.94736	1.1
161.02414	1.5
163.00264	3.5
163.03958	1.6
167.18871	1.1
169.01349	4.0
173.04482	1.8
175.03912	1.9
178.99792	14.6
191.01822	1.4
191.03500	1.2
191.05478	5.7
214.14734	1.2
223.13304	1.4
227.03348	2.7
241.82515	1.4
243.02969	6.6
243.05093	1.2
254.02208	2.4
255.02946	19.9
256.03339	1.7
271.02457	45.4
272.02780	3.6
273.04099	2.2
283.02704	1.3
285.04071	1.4
299.01880	3.2
300.02728	98.2
301.03497	77.0
301.06366	1.3
302.03799	5.2
306.07556	1.8
339.00336	1.1
343.04498	1.3
385.18512	1.6
463.08676	12.1
609.14514	100.0
610.14838	13.9
771.20569	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	771.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00171	1.4
69.99072	2.8
69.99477	2.8
72.49881	1.3
78.65840	1.0
83.01250	1.5
85.02829	3.2
96.95916	1.8
107.01289	2.1
109.02845	1.6
125.02271	1.5
134.03683	2.3
137.02347	1.2
138.85678	1.1
149.02313	1.4
151.00281	11.4
163.00264	1.2
167.04865	1.3
175.04056	1.5
178.99782	2.7
191.05548	3.8
193.01268	1.4
193.05080	1.2
199.03941	4.0
215.03349	2.7
227.03450	3.9
243.02960	5.6
254.02045	1.2
255.02872	8.0
271.02466	76.7
272.02814	5.3
299.01953	100.0
300.02649	35.1
301.03488	51.1
302.03680	1.7
313.03442	1.6
343.04611	1.3
462.07849	8.3
463.08868	9.2
609.14563	26.9
610.14954	3.8
771.19897	50.2
772.20471	8.3
777.83856	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80035	1.1
57.03331	6.0
57.03571	1.1
58.42826	1.1
59.01242	3.0
64.61334	1.3
71.01245	5.5
71.56788	1.9
72.99168	1.1
73.02821	1.3
74.64142	1.1
79.68591	1.4
83.01276	3.5
85.02820	38.2
96.95858	1.8
101.02316	3.8
111.00767	20.3
112.25870	1.1
129.01854	10.4
135.04434	2.0
139.24756	1.2
163.64786	1.2
187.02325	1.8
191.05487	1.4
205.03465	23.8
223.04541	100.0
224.04861	3.4
309.37741	1.6
385.07727	4.2
759.76959	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	771.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.0
59.01249	49.0
61.98696	24.9
63.02267	3.1
65.00194	4.2
67.01732	2.0
69.03288	2.7
69.25586	4.9
69.26003	18.4
71.01244	33.3
72.99179	5.7
73.02824	16.0
75.00726	3.7
79.95636	2.7
80.96387	5.7
81.03321	2.2
83.01247	7.2
85.02367	2.6
85.02814	15.4
87.00723	5.6
89.02322	11.7
91.01791	5.5
93.03322	8.4
95.01247	7.3
96.95884	19.7
97.02825	5.2
99.00713	4.8
99.01878	5.0
101.02319	15.0
107.01272	10.1
108.02055	13.9
109.02813	18.6
111.00756	4.1
113.02319	19.0
116.92746	22.3
119.01226	2.2
119.03373	3.0
119.04892	3.5
121.02837	7.3
123.00745	8.9
123.04416	2.3
124.01535	7.1
125.02338	19.0
132.02049	4.0
133.02820	12.5
134.03625	24.1
135.00766	8.9
135.04373	6.8
136.01558	24.5
137.02322	20.6
139.00282	4.8
139.03877	2.8
140.03232	3.1
141.01814	2.3
141.04076	37.0
143.03363	2.8
145.02805	2.1
147.04404	4.4
149.02341	13.9
149.05949	6.5
149.99504	4.7
150.03052	3.2
151.00264	22.7
151.03889	28.6
152.01047	17.6
153.01846	19.2
155.03394	3.0
159.04359	2.4
160.01503	13.8
161.02324	3.6
161.04424	5.3
163.00294	19.3
163.03847	3.7
164.03392	2.3
164.04688	8.1
165.01808	4.6
165.04076	2.0
165.05424	8.1
166.02621	15.4
167.03387	4.6
168.00574	15.2
169.01331	3.1
173.04453	4.9
175.00272	6.7
175.02499	3.0
175.03908	18.5
176.00961	3.3
177.01826	6.9
177.05479	3.7
178.02621	9.7
178.99786	4.8
179.03316	3.9
179.05537	2.9
179.06984	2.4
181.01294	5.5
181.04997	20.5
190.02649	12.2
190.99675	2.5
191.03296	7.3
191.05461	3.4
193.04993	38.9
195.06557	4.8
199.03979	2.5
203.03323	2.8
205.04974	11.1
205.12102	2.2
206.99313	6.6
209.11711	6.0
213.05441	3.3
223.06087	15.2
227.03430	3.4
232.12215	2.2
243.02879	2.7
243.06560	25.8
255.02940	8.6
256.03714	4.5
269.04639	4.1
271.02469	7.3
271.05893	4.0
273.04282	2.5
283.02563	4.3
284.03250	55.8
284.06430	2.8
285.04004	100.0
286.04367	10.4
287.05118	2.4
299.02252	3.1
299.05524	17.9
300.02777	4.5
300.05978	3.0
301.03296	3.2
303.09445	18.4
309.08035	2.3
313.05905	2.4
315.07089	2.8
317.02963	2.4
325.03754	2.2
327.08530	3.2
331.06653	22.2
339.12711	1.9
357.09787	5.3
357.13510	4.6
371.08337	7.4
387.14478	35.7
399.05551	3.8
403.13751	8.9
405.11716	12.5
471.09341	4.5
489.10080	11.2
561.23297	8.5
683.16083	3.2
694.15210	6.8
695.15704	2.3
711.25818	2.8
727.15155	4.0
770.39911	2.8
771.31299	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	769.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81518	0.5
59.01247	4.5
61.98685	1.7
71.01250	6.1
72.99204	0.6
78.95751	0.6
80.02540	0.7
81.03345	0.6
83.01302	0.6
83.04887	4.7
84.80066	0.4
85.02822	1.1
87.00734	0.7
87.25648	0.5
89.02306	1.9
89.45702	0.5
97.02780	0.5
101.02321	3.0
109.06451	0.5
113.02293	1.2
125.05988	0.6
125.09599	1.0
135.08092	0.8
137.10794	0.5
138.08624	0.5
161.04526	0.9
163.11153	3.4
165.12744	2.2
169.12248	3.3
171.10175	1.4
185.11728	1.5
191.10715	0.7
192.81084	0.6
197.11780	6.1
209.11758	100.0
210.12103	5.4
213.11298	1.1
225.11235	0.8
227.12794	12.0
235.08174	1.6
251.02151	0.5
253.09229	8.9
263.20111	0.7
277.21695	64.9
278.22009	4.9
309.20685	0.6
319.57736	0.5
445.20731	1.9
559.61493	0.7
614.77301	0.6
682.61816	0.6
737.41125	12.1
738.42139	1.6
769.43726	5.7
770.44183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
59.01246	9.4
61.98697	4.0
67.01737	0.7
69.03333	6.2
69.60141	4.3
71.01250	10.2
71.04887	2.2
73.02817	1.7
78.95763	0.7
80.02551	0.7
81.03345	1.5
81.17706	0.7
83.04910	2.3
85.02813	3.4
87.00751	2.5
89.02332	3.9
94.09128	0.6
95.01263	1.1
95.04932	1.4
96.40987	0.6
96.95882	1.9
97.02808	3.2
97.06461	2.0
98.19828	1.2
99.00741	1.2
101.02314	6.6
107.04930	0.7
109.06493	2.9
111.04395	1.1
111.08012	4.7
113.02327	3.4
119.03447	0.9
123.04414	0.8
123.08039	2.2
125.02325	1.0
125.09610	3.7
133.06425	0.7
135.08136	0.9
137.09613	1.0
149.09621	1.0
151.07500	0.7
151.11208	3.8
153.12744	2.1
161.02242	0.7
161.04497	1.4
161.09618	4.2
163.11198	3.0
165.12726	2.0
167.10661	0.8
169.12245	2.9
171.10172	14.5
177.12828	0.9
179.10704	10.1
181.12218	1.8
183.13777	1.3
185.11778	1.7
191.14320	0.8
193.12228	0.9
197.11757	87.2
198.12088	4.0
199.13416	1.8
201.11243	2.2
207.10191	3.9
209.11775	17.6
211.13319	5.3
213.11258	1.2
221.11810	1.1
223.09683	2.5
223.13232	1.4
225.11284	9.0
226.11716	0.8
227.12773	3.5
235.08165	1.7
241.10767	3.8
242.10149	0.6
243.12270	1.0
245.19215	1.5
247.13297	0.8
247.20573	1.6
253.09261	7.9
263.20123	1.0
265.14517	0.8
287.16391	1.2
289.18054	7.9
291.19641	7.5
292.20126	0.7
305.17575	2.8
307.19128	5.1
309.20682	6.1
310.21112	1.0
327.21661	1.1
367.89178	0.7
414.22165	0.7
459.18793	1.1
461.20184	1.4
477.19775	2.1
671.32977	0.9
751.38922	1.4
769.40118	100.0
770.40424	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	769.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01244	4.2
59.53092	0.3
63.02282	1.2
63.37039	0.3
63.63652	0.3
65.00209	1.0
69.03318	0.4
71.01257	2.9
71.58194	0.5
72.99184	0.5
73.02821	0.9
73.07525	0.3
75.00756	1.0
83.01266	1.4
85.02815	2.8
87.00748	0.7
89.02319	1.1
93.03348	1.1
96.95868	1.9
99.00788	0.7
99.01891	0.3
101.02331	1.2
105.03329	0.5
107.01270	2.3
108.02058	0.4
109.02822	1.8
111.00769	0.4
113.02316	1.4
119.04899	0.8
121.02837	1.7
123.04410	0.7
124.01574	0.5
125.02355	1.1
129.01793	0.6
132.02036	1.5
133.02837	6.9
134.03682	2.1
135.00790	0.5
135.04385	1.0
137.02354	1.0
141.04108	0.7
145.02866	0.4
147.04420	1.0
149.02313	2.5
149.05933	0.4
149.99524	0.4
150.03136	0.6
151.00269	3.9
151.03893	0.8
152.01025	0.8
153.01830	2.0
155.03447	0.5
158.21971	0.3
160.01585	3.4
161.02333	1.4
161.04405	0.4
162.03110	0.4
163.03893	0.4
164.04599	0.8
165.01808	0.4
167.03435	0.3
168.00514	0.8
169.04764	0.5
171.04498	0.4
173.04520	0.5
175.00328	0.3
175.02469	0.6
175.03900	4.2
177.01822	0.7
179.03424	0.8
180.86937	0.3
181.05035	0.3
185.06004	1.1
187.33720	0.3
190.02626	0.8
191.05490	1.0
193.05005	1.2
195.06476	0.4
197.06087	0.4
198.03163	0.4
199.03911	2.0
201.01825	0.7
205.05016	1.1
208.28955	0.4
211.03951	0.5
213.05580	0.6
217.04913	1.5
223.06107	0.5
241.04967	0.9
243.02965	1.0
255.02913	0.4
256.03519	0.3
257.04483	0.3
267.02991	0.4
283.02667	0.5
284.00912	0.3
284.03250	9.7
285.04010	100.0
286.04333	5.9
299.05569	13.1
299.08154	0.3
300.05917	1.1
301.03650	0.6
315.07187	0.4
331.06671	0.9
357.26633	0.6
469.13367	0.5
483.13403	0.5
498.61887	0.3
521.33215	0.4
575.14417	0.6
684.20508	0.4
769.19611	27.7
769.37946	2.4
770.19867	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	767.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12827	0.3
56.74513	0.3
57.97649	0.3
59.01248	13.1
59.27588	0.3
59.93787	0.3
61.99039	0.3
62.44348	0.3
70.44539	1.0
71.01254	1.8
71.01601	0.4
73.02799	0.4
83.04905	0.4
85.02866	0.3
89.02306	1.2
89.81244	0.3
99.25468	0.3
101.02322	1.4
104.43538	0.3
113.02283	0.7
119.03430	0.5
161.04454	0.6
167.14301	0.6
183.13814	6.2
193.12267	1.7
211.13322	100.0
212.13683	4.9
235.08128	1.3
253.09251	5.3
259.61526	0.4
277.21701	48.7
278.22067	3.7
278.39511	0.3
353.31668	0.3
429.21045	1.2
447.22269	7.3
448.22745	0.9
767.41663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.2
59.01249	6.8
61.98700	2.5
63.02274	1.4
65.00202	0.8
67.01761	0.4
69.03325	0.8
71.01248	5.1
71.58582	0.4
71.59006	0.4
72.99178	0.9
73.02808	1.5
75.00748	1.2
79.95620	0.4
81.03325	0.4
83.01254	1.3
83.04861	0.5
85.02811	3.1
87.00745	1.1
89.02310	1.2
93.03339	1.9
95.01265	1.1
96.95889	3.1
97.02826	0.4
98.95444	0.4
99.00761	1.5
101.02309	3.1
105.03341	0.4
107.01254	1.6
108.02035	1.3
109.02833	1.7
111.00800	0.5
113.02330	2.8
116.92749	0.7
117.03349	2.6
119.03365	0.5
119.04910	1.2
121.02840	1.2
123.00766	0.5
123.04350	0.6
124.01575	0.3
125.02355	1.8
133.02824	1.3
134.03632	1.7
135.04396	1.1
137.02342	2.0
139.00259	0.7
141.04053	1.2
145.02844	0.5
147.04428	0.3
149.02336	3.8
149.99487	0.5
150.03145	0.7
151.00256	1.5
151.03886	0.7
152.01004	1.2
153.01857	1.8
155.03339	0.4
159.03073	0.4
159.04417	1.3
160.01617	1.6
161.02272	1.7
161.04459	0.8
163.03908	0.8
164.04675	1.4
165.01802	0.6
165.05434	1.2
167.03360	0.3
168.00594	0.8
169.06462	0.4
173.04448	0.4
175.00212	0.8
175.02530	0.4
175.03922	1.4
177.01788	0.4
178.02528	0.3
179.03313	0.6
179.06990	0.4
180.04198	0.4
187.03975	0.4
190.02609	2.0
191.03249	0.4
191.05521	0.9
193.05022	2.0
195.06622	0.4
197.06003	0.6
199.04004	0.7
201.05444	0.5
205.04974	1.5
209.11732	0.6
219.06323	0.4
223.04161	0.5
223.06053	2.0
225.05469	0.9
229.03455	0.6
243.03134	0.3
249.05983	0.3
255.03285	0.4
263.37204	0.3
268.03751	6.3
269.04526	100.0
270.04892	5.9
281.08432	0.4
284.03329	1.9
285.04028	16.9
286.04285	1.0
289.07178	0.5
299.05600	2.1
303.09378	0.6
315.07050	0.4
331.06726	0.8
337.09274	1.0
357.26270	0.4
431.09744	6.0
431.22516	0.5
466.36234	0.4
483.23019	0.4
499.08826	8.0
500.09363	0.8
517.09747	1.9
558.54175	0.3
563.34033	0.8
617.26245	0.3
769.19293	4.6
769.40796	2.1
770.19897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.2
57.03327	8.2
58.84542	1.4
59.01249	56.6
67.01753	1.4
68.99680	2.1
69.03308	1.9
69.38522	11.1
71.00894	2.3
71.01254	38.0
72.88581	1.5
72.99178	12.8
73.02796	3.0
75.00745	24.2
83.01243	2.9
83.04870	1.5
85.02823	40.1
87.00742	14.1
89.02310	9.6
93.03327	3.3
95.01253	8.8
96.95894	7.6
99.00754	15.3
101.02319	2.7
103.00227	4.6
107.04881	3.0
108.02032	2.7
109.02828	3.7
109.06477	1.7
111.00762	1.9
113.02332	44.2
115.00226	3.4
117.01834	2.6
119.04896	1.7
123.00752	1.7
123.04386	2.3
125.02349	1.7
125.05921	1.8
129.01814	4.5
134.03661	2.4
135.00743	1.5
135.04364	2.1
136.13849	1.4
137.02359	3.5
149.04597	1.4
150.03145	2.7
151.03859	1.5
152.01050	3.1
153.01810	3.2
154.12286	1.4
160.01561	2.8
161.13237	2.7
165.05464	3.0
168.00517	2.4
169.19489	1.5
173.47238	1.6
175.02431	2.5
175.03923	4.4
187.11150	5.0
189.09058	2.4
191.05531	3.0
193.04929	3.7
195.06544	2.3
202.13167	1.7
205.05139	1.6
205.07104	5.2
205.12242	5.1
207.10202	2.9
212.07915	1.7
223.13312	5.0
231.04944	2.2
249.06151	16.0
258.70099	1.4
267.07202	42.0
268.07401	1.8
269.04480	5.2
281.93491	1.6
285.03952	2.7
309.08093	2.6
336.29581	1.6
399.12976	2.4
499.18250	3.0
517.18634	1.8
591.22601	6.2
677.77667	1.6
749.25049	3.4
767.26086	100.0
768.26746	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	767.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.9
57.03320	6.8
58.00463	0.8
59.01249	42.5
61.09225	0.6
63.88673	0.5
67.01753	1.1
68.99675	1.8
69.03310	1.8
71.01250	30.8
72.99181	7.4
73.02824	2.8
75.00741	20.3
81.00357	0.6
81.03339	0.8
82.02979	0.5
83.01257	1.7
83.04881	1.5
85.02820	27.6
85.87956	0.6
86.03197	0.6
87.00744	10.3
89.02316	5.7
91.03875	1.0
93.03313	1.5
95.01260	5.8
96.95873	1.3
97.02863	0.6
98.19775	2.2
99.00754	13.1
99.04379	0.7
101.02307	1.7
103.00246	2.9
107.04916	0.9
108.02038	0.9
109.02825	1.4
111.00761	1.5
112.01517	0.6
112.84441	0.6
113.02326	32.1
115.00258	3.7
117.01836	3.0
119.04906	0.8
125.02325	0.7
126.61614	0.5
127.03829	0.6
129.01805	2.4
131.03386	1.6
134.03613	0.7
134.04529	0.6
135.04411	1.4
137.02315	1.1
149.02316	1.1
150.03033	0.7
152.01021	1.0
153.01801	0.9
157.01399	0.8
161.02370	0.8
161.09602	1.7
161.13268	1.6
163.11201	1.5
165.05545	0.7
175.02356	2.3
187.11203	3.6
189.09183	1.2
191.05533	0.9
193.05032	1.0
205.05223	0.7
205.07074	2.4
205.12228	3.6
207.04926	0.7
207.10165	1.7
223.13350	1.3
230.94987	0.8
231.05028	1.3
231.10130	0.7
249.06111	18.9
267.07196	29.6
269.04526	3.4
300.85510	0.7
301.17017	0.6
309.08157	2.9
455.19128	2.3
457.17380	2.8
499.18314	5.4
517.19446	3.1
577.14874	0.7
591.23248	5.5
643.28046	0.6
749.25214	6.0
750.25781	0.9
767.26111	100.0
768.26526	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	765.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.3
61.98696	0.5
68.73225	0.2
69.03337	0.4
69.38847	1.6
70.15803	0.2
71.01247	1.4
71.29132	0.2
72.99173	0.6
73.02810	0.3
83.04903	0.2
85.02802	0.4
87.00767	0.4
88.98666	0.3
89.02317	0.9
94.54036	0.2
96.95905	0.3
101.02312	1.3
113.02293	0.6
129.83713	0.2
150.57593	0.2
161.04449	0.6
167.14273	0.5
171.10159	0.4
179.05464	0.5
181.12302	0.2
183.13824	5.8
184.14172	0.3
185.49644	0.2
193.12302	2.1
194.12677	0.2
211.13321	100.0
212.13666	4.3
221.11729	0.5
223.13329	0.3
235.08199	1.4
239.12796	0.2
253.09212	3.0
307.19315	0.3
387.25345	0.3
418.82730	0.2
429.21158	2.3
430.21927	0.3
447.22290	11.1
448.22598	1.2
597.32391	0.2
623.34204	3.2
624.34485	0.9
641.35370	2.4
642.35693	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.8
57.03317	5.4
59.01249	40.2
67.01745	1.1
68.99681	1.8
69.03323	1.5
71.01250	27.5
72.99178	6.4
73.02810	1.7
75.00745	19.2
83.01237	1.1
83.04880	1.1
83.89136	0.7
84.24405	0.8
85.02818	27.0
87.00742	10.2
89.02324	5.8
91.03923	1.0
92.86306	0.8
93.03342	1.2
94.41102	0.8
95.01276	6.7
95.04885	0.9
96.95880	1.4
98.20477	2.0
99.00751	11.2
101.02316	0.9
103.00235	2.8
107.04945	1.1
109.02790	1.1
111.00748	1.4
113.02325	28.6
115.00249	1.9
117.01810	2.9
129.01810	2.0
131.88866	0.8
138.18909	0.7
139.00310	1.2
139.35501	0.9
161.09598	1.3
161.13275	1.9
163.11153	1.9
175.02382	2.6
175.03851	1.0
187.11168	2.5
188.83954	0.8
189.09163	1.2
191.05563	1.6
205.07121	2.1
205.12262	2.4
207.04994	1.5
207.10143	2.1
223.13322	2.5
231.04987	1.1
249.06133	16.2
267.07202	25.1
268.07748	0.9
283.06052	1.3
285.03967	1.4
309.08231	1.7
311.05496	1.5
431.09644	2.4
439.87769	0.9
457.17255	1.9
499.17532	1.5
591.23260	4.8
674.16266	0.9
735.21771	0.9
749.24768	3.2
767.26111	100.0
768.26392	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	6.9
59.01250	49.9
61.98703	24.0
69.03338	5.3
69.55010	2.7
71.01251	47.6
72.99186	9.0
73.02807	7.7
75.00730	12.5
82.11935	2.7
83.01252	6.4
83.04900	5.1
85.02803	13.5
87.00751	9.7
88.98669	12.8
89.02304	41.0
95.01252	6.2
96.95887	9.2
97.02807	7.8
97.06438	4.0
99.00767	7.0
101.02296	30.1
108.01994	3.7
109.02806	5.6
113.02316	17.4
117.47105	3.0
118.73522	3.1
119.03380	9.1
119.04913	3.6
121.02802	3.0
123.04427	7.0
125.02292	7.5
125.09585	5.9
133.04886	3.4
134.03624	3.5
137.02347	9.2
137.09607	4.8
143.03349	6.2
149.02328	5.7
150.82744	3.2
151.03862	3.7
153.01840	3.5
159.43437	3.6
161.04424	8.1
163.03967	3.8
163.11171	9.8
164.04620	5.0
166.27992	3.1
171.10118	6.7
179.05498	8.8
183.13727	3.3
185.11722	9.0
190.02606	3.9
191.14348	11.0
193.04950	4.5
205.04951	4.6
209.11760	34.6
211.13326	12.9
212.13638	6.0
223.05885	3.1
225.11253	7.1
227.12639	3.2
229.77126	3.5
235.08221	11.1
237.11229	7.3
245.19098	17.9
263.20120	5.5
285.04095	9.8
289.18066	88.8
290.18552	6.2
303.25342	3.2
307.19110	100.0
308.19452	6.7
397.13434	61.8
398.13681	6.2
415.14536	51.3
472.76544	3.7
705.33252	10.9
720.01135	3.6
765.34979	3.4
792.99664	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	765.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	3.8
57.03308	4.0
58.00469	2.4
59.01250	53.8
61.98698	7.7
66.52577	1.5
69.03314	4.4
71.01252	47.3
72.99178	3.9
73.02816	8.1
75.00749	3.3
78.95744	1.4
81.03330	4.8
83.01241	7.2
83.04909	3.5
85.02818	12.0
87.00765	7.7
88.98673	3.1
89.02309	34.0
93.03341	7.3
95.01276	3.7
95.04884	3.8
96.95912	10.5
97.02818	8.3
97.06459	3.7
99.00742	6.1
101.02326	35.1
107.04945	2.1
108.01987	1.4
109.02810	4.4
109.06427	3.0
113.02329	16.3
119.03373	11.8
121.02833	3.3
123.04397	6.2
123.08041	3.1
125.02361	9.9
125.05973	2.0
125.09604	9.5
129.01808	1.5
131.03398	1.7
134.03609	3.3
135.04443	2.1
137.02354	15.1
137.09595	4.1
141.01746	2.1
143.03392	5.3
149.02293	5.1
149.04350	1.5
149.05960	2.3
151.03957	1.7
152.01134	1.9
153.01830	1.8
160.01540	2.5
161.04425	6.8
163.03999	1.9
163.07523	1.9
163.11171	10.3
164.04691	4.4
165.05585	2.0
165.12747	3.3
169.12224	2.5
171.10159	4.9
175.03864	2.1
179.05447	5.4
179.06912	1.9
181.12238	2.2
183.13777	2.3
185.11792	9.8
190.02605	4.8
191.14291	8.6
193.04968	4.8
197.11948	1.6
205.04959	2.9
207.10178	7.0
209.09857	2.9
209.11752	34.8
211.13356	7.6
221.06638	2.8
223.06030	5.6
225.11232	5.8
227.12793	2.6
234.48048	1.6
235.08206	9.5
237.11433	2.3
245.19081	22.6
253.09065	2.7
263.07645	1.9
271.17099	2.1
285.03775	2.5
287.07684	2.2
289.18079	96.7
290.18478	8.0
305.08725	1.8
307.19119	100.0
308.19376	7.7
325.20023	1.7
355.11694	1.5
375.85141	1.6
397.13516	59.2
398.13782	4.4
415.14594	54.4
416.14703	3.2
467.22437	1.9
567.69147	1.7
572.40991	1.7
607.26630	1.8
705.33124	6.9
765.35242	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	765.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.0
57.03317	8.2
58.00466	2.7
59.01249	58.9
61.98704	10.0
69.03328	4.6
71.01252	53.6
72.99186	7.6
73.02828	5.7
73.22955	1.8
75.00738	7.9
76.12772	1.7
77.36079	1.6
79.37524	1.8
80.96431	1.9
81.03343	3.0
82.60074	1.7
83.01261	4.8
83.04913	5.0
85.02839	11.2
87.00750	11.8
88.98666	8.8
89.02315	31.1
91.03882	2.1
93.03336	4.7
95.01248	2.4
95.04931	2.5
96.95880	5.5
97.02837	6.8
97.06469	10.7
98.19745	3.1
99.00748	2.3
101.02324	35.9
107.04890	2.0
108.02061	2.1
109.02819	4.6
111.00774	2.4
111.04417	2.5
111.08029	4.7
113.02329	18.2
119.03382	10.8
121.06444	1.9
123.04398	2.7
125.02351	13.5
125.09604	1.9
134.03615	2.3
135.04420	2.3
136.14778	1.6
137.02330	7.0
141.01808	2.3
143.03416	6.4
143.10892	1.6
149.02353	4.0
149.09651	2.1
151.11224	12.4
152.43997	1.8
153.12749	2.3
161.04494	5.9
163.11205	4.2
165.12762	18.0
167.10632	2.9
169.12265	3.6
171.10173	7.2
175.04031	2.0
179.05621	8.3
179.06932	2.1
179.10686	5.5
181.12270	18.0
183.13832	8.5
191.10719	7.6
191.14336	3.4
199.33208	1.7
209.11769	52.0
211.13335	13.6
212.13629	2.0
213.11203	1.8
221.06558	3.8
227.12827	25.3
235.08179	12.2
245.19141	11.7
253.09279	3.2
263.07657	3.1
263.20200	15.2
287.07599	2.2
289.18045	20.0
301.16571	3.1
305.08838	2.9
307.19153	100.0
308.19571	9.2
323.09735	2.8
379.12125	1.7
397.13461	61.2
398.13934	6.6
410.88712	2.3
415.14572	41.5
416.14960	2.6
593.24567	3.8
607.26025	45.6
608.26398	6.2
613.91443	2.2
622.24915	4.5
705.33618	19.9
706.33588	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	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.2
60.99176	16.1
61.98697	0.6
65.09914	0.3
67.79816	0.4
71.01248	1.6
77.17219	0.3
81.03318	0.4
87.00752	11.5
88.00270	10.0
88.01099	1.2
88.98675	100.0
89.02313	65.4
89.70145	0.3
89.99016	0.8
90.02634	0.7
98.20644	0.7
101.02340	1.1
103.91913	1.4
104.92684	1.4
110.35663	0.4
114.94759	0.6
122.89302	0.8
125.02349	0.5
140.96332	0.4
142.94341	0.4
148.90862	3.1
153.87941	0.4
155.91158	0.4
171.94603	0.4
211.13293	0.8
235.08151	0.5
253.09283	0.4
277.21689	3.2
372.61276	0.4
397.13504	4.4
409.00467	0.5
415.14609	2.1
424.73135	0.4
451.05298	0.5
469.06723	0.6
483.04504	1.5
487.02914	0.8
729.28070	1.3
765.25354	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	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.5
59.11404	0.3
60.99176	17.2
61.98677	0.5
69.87395	2.1
71.01247	4.2
73.02790	0.3
81.03337	0.4
87.00750	3.8
88.00279	4.7
88.98675	100.0
89.02312	23.2
89.99049	0.5
95.01235	0.5
97.02826	0.5
101.02329	0.9
102.86917	0.4
103.91904	0.9
104.92670	0.7
105.58226	0.3
109.06467	1.5
113.02323	0.7
114.94772	0.9
122.89345	0.9
133.06514	0.4
148.90881	1.8
163.11160	1.2
171.10255	0.7
179.05661	0.3
201.11320	0.6
207.10196	4.8
209.11789	0.9
219.89055	0.4
221.11874	0.4
223.13304	0.9
225.11249	2.8
235.08212	0.4
253.09358	2.1
277.21771	0.9
278.21790	0.4
324.41986	0.4
377.77579	0.4
393.74246	0.4
397.13757	1.7
415.14319	0.5
461.20074	0.8
465.94980	0.3
483.04562	1.1
708.12903	0.4
729.27930	1.3
765.25739	1.3
765.39246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
61.98702	1.8
71.01269	0.5
71.57834	0.2
75.00786	0.2
83.90223	0.2
84.94991	1.3
86.02380	0.4
87.00748	100.0
88.00274	7.5
88.01068	1.1
88.98672	0.6
89.02285	1.2
101.02355	0.4
113.02293	0.3
150.98604	0.2
160.92731	0.2
182.86305	0.2
211.13261	0.3
225.00900	0.3
234.85907	0.2
277.21747	1.0
397.13547	1.5
415.14459	0.6
432.64255	0.3
625.77197	0.3
647.35339	0.3
748.54669	0.3
789.32404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.8
59.01247	12.7
61.98711	1.1
68.02411	0.6
69.03310	1.6
71.01249	14.3
71.39307	1.2
72.99183	4.2
73.02825	1.6
73.18531	0.6
75.00741	9.9
81.00806	1.6
81.03316	0.8
83.01260	1.5
83.02380	1.3
83.04901	0.9
84.01904	1.2
85.02820	14.1
87.00749	4.8
89.02312	2.9
93.03331	1.1
95.01273	3.7
96.26369	0.6
96.95892	3.6
97.00310	2.1
97.02805	0.9
98.01105	2.3
98.03467	1.1
98.95485	0.9
99.00780	9.4
99.01868	15.9
101.02326	1.9
103.00232	1.2
108.02039	1.0
109.02842	1.1
110.03472	1.6
111.00737	1.4
111.03014	0.7
111.08043	1.0
113.02328	14.0
115.00246	1.7
117.01825	1.5
119.04935	0.7
121.02866	1.2
122.03526	1.0
124.01458	1.5
125.02308	1.4
129.01813	1.3
134.03613	1.4
135.04361	0.7
137.02338	1.0
139.00351	0.7
139.02513	3.4
140.03293	12.9
141.04080	95.6
142.04420	1.9
145.02721	0.7
147.81531	0.7
149.02373	1.0
150.03140	2.0
151.00169	0.7
151.03891	1.7
152.04584	0.9
153.01826	1.3
153.04100	1.4
161.04404	1.2
164.04630	1.0
165.05457	1.2
165.12769	8.2
168.00665	0.7
175.02342	1.6
175.03796	0.7
179.03365	0.7
183.13832	29.6
184.14178	1.3
191.05502	1.4
195.06624	1.0
209.11768	1.4
223.05899	0.6
227.12932	3.1
227.14844	0.7
249.06119	4.1
249.14566	0.6
267.07224	6.7
267.33356	0.7
285.08282	1.4
303.09570	6.0
311.83621	0.8
364.88312	0.7
365.10178	0.6
387.21042	0.7
415.19708	4.3
459.18564	1.2
495.20917	1.5
513.21948	1.2
577.28467	1.4
587.25952	1.4
745.27533	2.5
763.28839	100.0
764.29327	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	761.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
61.98696	1.1
63.34160	0.9
66.93533	0.9
71.57405	1.1
85.02814	15.1
99.08030	7.8
108.64165	1.0
167.10669	5.7
185.10381	0.6
185.11740	35.6
203.12805	90.1
204.13231	2.4
227.12999	1.2
241.00481	1.0
245.13866	10.0
271.15494	1.7
277.21951	1.5
341.62195	0.9
353.23190	4.6
371.24301	11.3
372.24863	1.2
389.25461	7.1
459.08041	1.2
530.95154	0.9
539.35870	2.2
557.36798	4.2
557.44830	1.0
575.38043	9.0
639.60242	1.2
688.65094	1.1
761.50275	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	13.4
70.81242	22.4
79.82420	8.4
86.67669	7.8
88.51474	9.1
146.10849	10.1
185.11761	33.5
201.97099	8.9
211.13365	29.0
258.22864	9.4
277.21710	100.0
353.82568	11.4
707.43817	12.0
761.43341	27.3
790.41766	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	761.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	41.8
62.05631	18.4
70.86781	33.9
70.87125	45.8
86.48258	19.9
107.92133	24.2
108.02831	19.3
141.17261	20.4
182.64952	23.6
185.11752	92.1
211.13350	95.2
214.54527	23.4
277.21716	100.0
447.22125	30.5
705.67950	26.2
761.43030	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24981	0.2
57.03331	0.4
59.01254	3.2
61.98713	2.4
65.03819	0.3
69.03323	0.3
71.01260	2.3
71.59618	0.5
72.99178	0.4
73.02814	0.7
75.00780	0.3
83.01260	0.5
85.02809	1.6
87.00750	0.7
89.02330	1.3
93.03339	1.3
95.01309	0.6
96.95894	2.4
97.02824	0.7
99.00738	0.5
101.02312	1.4
108.02048	4.7
109.02845	1.5
111.00772	0.3
111.33594	0.2
113.02356	1.2
117.03312	0.3
119.03420	0.6
119.04963	0.6
121.02848	3.3
122.03645	0.7
123.00804	0.8
123.04403	0.7
124.01594	0.4
125.02335	0.9
132.02086	0.3
133.02873	0.4
134.03610	1.9
135.04384	0.9
136.01547	0.3
136.05212	0.3
137.02347	2.1
137.05940	0.3
139.00252	0.8
139.03835	0.4
141.04085	0.4
144.47108	0.3
145.02888	1.4
147.04449	1.4
149.02347	1.3
149.05978	0.5
150.03122	1.2
151.00240	0.7
151.03880	1.2
152.01064	5.7
153.01875	2.0
153.05450	0.4
158.03630	0.4
160.01559	1.2
161.02332	0.9
161.04486	0.5
161.05928	0.6
162.03134	0.9
163.00349	0.3
163.03922	4.1
164.04660	0.8
165.01855	1.5
165.05525	1.3
165.12697	0.3
166.02652	0.6
167.03392	1.0
168.00574	0.6
168.04185	0.3
173.02309	0.3
173.04562	0.6
173.06062	0.7
174.03151	2.2
175.03911	14.2
176.04651	2.5
177.05501	2.2
178.02679	1.3
179.03407	2.2
179.05563	0.3
179.07010	0.6
180.02625	0.6
180.04208	10.2
181.04897	0.9
183.13814	1.1
188.04729	2.7
189.05505	6.9
190.02682	0.8
190.06282	19.2
191.03604	0.5
191.05542	0.7
191.07056	12.3
192.04228	0.9
192.07445	0.9
193.04988	14.4
194.05779	7.3
195.06499	1.5
203.07063	1.9
205.04956	0.8
205.08640	18.2
206.09023	1.0
207.06570	6.8
208.07353	13.4
208.08882	0.3
209.04581	0.6
209.07858	1.1
217.05011	0.5
221.08180	0.3
222.08948	0.9
223.06099	1.2
223.09717	1.8
285.04025	0.8
285.11328	0.4
301.10593	0.3
309.08301	0.3
314.11511	0.7
315.07352	0.6
322.41006	0.3
329.10263	1.1
331.06757	0.5
339.08618	0.3
341.10187	1.1
343.12097	0.5
344.12640	4.9
345.13406	1.8
355.10281	0.5
356.12674	0.7
358.14291	0.5
359.14990	100.0
360.10797	0.4
360.15311	8.2
371.14838	1.8
373.16544	2.8
375.14218	0.4
385.13126	0.3
389.16052	12.1
390.16440	1.1
423.09341	0.5
455.20013	0.3
599.24982	31.4
600.25366	5.8
761.28595	5.4
762.29218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.4
59.35828	0.1
62.96640	0.1
64.92829	0.1
71.01254	0.3
71.59437	0.1
72.99162	0.1
79.95609	2.8
85.02817	0.3
89.02309	0.1
93.03323	0.1
96.95885	100.0
97.95842	0.2
99.00787	0.1
101.02302	0.1
108.02029	0.1
109.02835	0.1
111.00715	0.1
113.02317	0.1
114.93300	0.1
123.00794	0.1
123.04449	0.1
124.01537	0.1
125.02309	0.2
134.03665	0.2
135.04463	0.1
137.02328	0.2
141.04085	0.1
149.02293	0.2
150.03136	0.2
151.00227	0.2
151.03850	0.1
152.01062	0.2
153.01843	0.2
160.01532	0.2
163.03911	0.1
164.04683	0.1
165.05481	0.3
175.03943	0.1
179.21399	0.1
181.05031	0.1
190.02625	0.1
191.05522	0.4
193.04965	0.1
195.06544	0.2
268.03754	0.5
269.04526	1.9
270.04886	0.1
281.08466	0.1
284.37665	0.1
285.03940	0.2
602.01788	0.1
608.60760	0.1
619.16510	1.1
620.17096	0.1
761.24164	0.2
773.53265	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	759.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.3
71.01249	12.2
78.95757	9.7
90.20034	9.8
90.40821	9.4
98.19781	31.4
100.49508	9.6
117.11533	8.5
182.52077	9.3
199.13332	19.2
209.11768	34.8
225.11185	12.7
227.12825	100.0
229.95589	10.4
229.97697	11.1
253.09280	19.3
253.21577	11.2
255.23268	10.2
277.21671	84.5
463.21286	13.3
678.23517	10.7
723.43036	20.9
759.41003	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	34.1
61.98689	22.4
63.11702	15.8
70.86760	23.4
70.87136	41.6
78.95739	16.0
103.25109	13.9
112.24950	14.9
115.17200	17.3
135.43794	15.0
135.63368	16.4
168.04065	15.3
209.11806	100.0
227.12833	35.4
235.35889	15.0
253.21867	16.2
255.23216	47.3
277.21756	83.9
278.21936	18.8
368.19885	20.4
526.00916	18.8
540.26184	19.0
629.53839	17.5
734.93848	18.5
759.43317	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.2
61.98691	2.9
70.81620	5.5
78.95772	5.7
83.50907	2.0
98.59338	1.8
101.02280	2.8
140.85840	1.8
152.99504	2.1
157.02293	1.7
166.86075	1.8
171.10231	2.4
209.11752	67.6
210.12114	2.8
227.12823	19.3
235.08093	6.3
241.16409	1.8
253.09239	11.3
277.21704	100.0
278.22067	8.2
288.75052	1.9
425.84579	2.0
498.73169	2.1
513.30237	2.4
759.18335	2.5
759.41406	15.8
760.41925	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.9
59.01248	16.2
60.18937	0.9
61.98698	2.5
67.01440	0.8
67.01766	1.1
67.78785	0.8
69.03307	0.8
71.01251	12.7
71.06378	1.9
72.99173	1.4
73.02811	2.3
75.00735	2.5
83.01244	2.6
83.04891	1.3
85.02821	8.1
87.00745	2.8
88.98666	1.4
89.02316	5.7
93.03331	7.7
95.01261	1.9
96.95879	7.3
97.02824	1.4
97.06472	0.9
98.95480	0.9
99.00742	2.4
101.02310	5.5
108.02050	2.3
109.02831	2.9
109.98717	0.9
111.00746	1.7
113.02332	9.0
116.92718	1.4
117.03341	3.7
119.03374	2.1
119.04877	4.4
121.02840	14.9
121.28614	0.9
122.03628	10.4
123.00749	1.3
123.04448	2.4
124.01552	1.4
125.02327	3.1
132.02057	13.9
133.02817	3.5
134.03622	77.0
135.04337	3.5
136.01563	2.6
136.05190	1.8
137.02351	8.7
137.09587	2.0
139.03896	2.8
140.07077	1.2
141.04071	2.4
145.02922	0.9
147.04395	3.2
149.02336	29.8
149.05966	14.0
150.03127	73.3
151.00278	1.0
151.03932	5.4
152.01022	2.5
153.01822	3.5
159.02867	0.9
160.01561	62.9
161.02083	3.5
161.04463	1.9
161.05962	1.2
163.03893	3.8
163.07608	1.4
164.04695	8.6
165.01787	2.0
165.05482	67.7
166.02451	0.8
166.05890	2.0
167.03427	2.6
168.00661	1.2
173.04456	1.6
175.00336	2.1
175.03906	68.5
176.04387	3.3
177.01801	2.1
177.05489	1.4
178.02626	14.5
179.03421	2.5
179.05519	1.6
179.07059	1.5
180.04147	5.9
180.10020	0.9
180.36075	0.9
181.04884	2.6
190.02670	5.4
191.03073	1.6
191.05508	1.8
192.04285	1.2
193.04979	100.0
194.05363	5.2
195.06548	41.2
195.07979	0.7
196.06825	1.5
205.04953	3.2
205.12213	1.2
206.05319	1.3
207.06505	1.7
208.03703	1.6
209.04410	0.9
209.11755	2.0
221.06017	1.0
223.06044	6.4
224.06450	1.4
225.06532	1.0
225.14964	1.9
227.12709	1.0
234.06850	1.0
239.07214	1.1
239.17566	1.0
246.53741	0.9
250.06316	2.5
254.09471	1.0
267.07126	9.7
269.04358	1.5
282.08997	8.4
283.09302	1.1
284.03293	1.7
285.04062	4.4
286.04688	1.0
295.05005	1.0
329.09802	1.2
335.05975	1.7
337.09280	1.3
341.06161	1.6
341.10272	31.0
342.10730	3.3
343.11713	6.3
344.12283	1.3
371.11444	8.3
387.20044	0.9
388.21295	1.1
389.12390	19.9
390.12570	2.1
391.13910	10.1
551.69250	0.9
563.24927	90.3
564.25165	13.3
711.29535	1.3
759.32239	6.7
760.32489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68079	1.1
59.01252	13.9
61.98696	1.8
66.87547	1.1
68.99679	1.1
70.87239	2.4
70.87576	1.2
71.01250	93.9
73.02790	2.6
77.48741	1.1
78.95781	3.2
85.02831	2.6
87.00748	1.7
89.02335	3.5
97.02809	2.0
101.02311	5.5
109.06476	7.8
113.02324	1.4
117.28099	1.2
124.89168	1.1
125.09607	3.8
127.11139	3.7
152.99545	1.2
155.10666	3.0
161.04506	2.9
163.11174	4.9
171.10173	100.0
172.10532	3.8
181.12276	3.2
185.11833	1.0
197.11644	1.4
199.09676	21.4
199.13284	3.4
200.09944	1.3
201.11261	21.5
202.11723	1.3
207.10188	25.3
208.10455	1.6
209.11819	1.4
213.54141	1.1
217.08109	1.2
225.11266	18.5
235.08174	1.5
243.12338	4.2
253.09286	13.4
277.21704	72.0
278.21915	7.0
435.18698	4.4
461.20187	4.5
714.60120	1.2
721.41577	3.6
739.42273	1.8
757.43604	13.6
758.44470	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.4
58.00471	1.1
59.01250	26.2
61.98696	0.7
62.55167	0.6
64.50809	0.6
69.03329	0.6
69.40984	5.4
71.01255	23.9
71.01653	1.1
72.99173	1.4
73.02816	2.1
75.00745	1.2
78.67679	0.6
83.01237	1.4
84.02023	1.0
85.02824	5.5
87.00748	2.1
88.98679	2.1
89.02312	25.8
93.03332	2.9
95.01249	2.8
96.95892	18.4
96.96533	1.0
96.96823	1.2
97.02820	1.2
99.00769	1.3
101.02322	12.7
107.04923	0.9
108.02068	2.3
109.02856	3.0
109.54758	0.6
111.00747	0.8
111.04362	0.8
113.02328	11.7
119.03397	11.7
119.04916	0.7
121.02830	2.8
122.03630	1.1
123.00760	2.8
123.04411	1.4
124.01583	1.4
125.02341	3.1
131.03418	1.6
133.02855	0.8
134.03690	4.2
135.04395	2.5
136.01563	57.2
137.02371	8.8
139.00325	0.8
139.02957	0.6
139.03871	1.5
140.06943	0.7
143.03389	3.2
146.03606	0.8
147.04408	1.3
149.02362	5.6
149.04453	1.2
149.05962	1.0
150.03136	4.3
151.00290	12.7
151.03914	72.1
152.01022	2.8
152.04349	2.3
153.01782	2.2
159.04454	1.7
160.01524	2.9
160.05191	1.8
161.02319	2.2
161.04468	3.7
161.05795	1.1
162.03133	1.5
163.03876	2.3
164.04703	3.3
165.01866	1.0
165.05449	3.2
166.02634	36.2
167.03400	3.2
168.00513	0.7
171.10071	0.8
173.02275	0.7
173.05984	0.7
175.00276	1.2
175.03918	5.2
175.07536	1.4
176.04674	1.2
177.01874	2.4
177.05484	1.8
178.02576	0.8
179.03415	1.0
179.05530	9.0
179.06978	1.3
181.04993	45.3
182.05309	1.7
183.13927	0.9
187.03975	1.0
189.05545	1.3
190.02733	3.4
190.06241	1.7
191.03447	3.4
191.05287	0.6
192.04184	1.2
193.04973	4.7
194.05576	1.0
195.02870	1.1
195.06573	1.9
205.05028	5.1
205.08730	1.1
206.05681	2.8
207.06517	0.8
209.08078	1.4
219.06703	0.8
221.08063	4.3
223.06084	4.0
267.07297	3.4
269.04526	0.8
282.05344	0.7
284.98172	0.7
285.03964	1.4
297.07718	1.7
299.09293	0.7
309.07751	1.6
311.09326	0.9
324.09921	1.1
327.08875	1.6
329.10330	3.4
341.09607	0.9
342.11127	4.2
343.11710	0.7
354.11212	0.8
357.09714	15.0
357.13528	16.8
358.09964	0.7
358.13925	1.5
369.13321	5.4
371.13571	2.5
372.12125	10.3
373.12595	1.1
387.14499	100.0
388.14795	7.5
389.12485	1.1
563.24500	1.9
567.22150	3.3
597.23364	14.4
598.23859	2.2
759.28052	5.1
760.28912	0.7
761.79822	0.7
770.67474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68079	1.1
59.01252	13.9
61.98696	1.8
66.87547	1.1
68.99679	1.1
70.87239	2.4
70.87576	1.2
71.01250	93.9
73.02790	2.6
77.48741	1.1
78.95781	3.2
85.02831	2.6
87.00748	1.7
89.02335	3.5
97.02809	2.0
101.02311	5.5
109.06476	7.8
113.02324	1.4
117.28099	1.2
124.89168	1.1
125.09607	3.8
127.11139	3.7
152.99545	1.2
155.10666	3.0
161.04506	2.9
163.11174	4.9
171.10173	100.0
172.10532	3.8
181.12276	3.2
185.11833	1.0
197.11644	1.4
199.09676	21.4
199.13284	3.4
200.09944	1.3
201.11261	21.5
202.11723	1.3
207.10188	25.3
208.10455	1.6
209.11819	1.4
213.54141	1.1
217.08109	1.2
225.11266	18.5
235.08174	1.5
243.12338	4.2
253.09286	13.4
277.21704	72.0
278.21915	7.0
435.18698	4.4
461.20187	4.5
714.60120	1.2
721.41577	3.6
739.42273	1.8
757.43604	13.6
758.44470	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	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.1
59.01246	32.4
61.98685	5.1
71.01250	4.6
78.95776	11.5
83.01264	2.0
85.02814	2.8
87.00729	3.3
89.02291	3.6
98.19800	5.6
99.00739	7.2
101.02322	5.1
103.88707	1.5
105.15257	1.7
113.02356	3.7
124.73584	1.5
125.09606	5.0
127.11171	6.4
128.03123	1.5
152.99467	5.1
155.10637	2.3
161.04451	2.0
163.11183	4.6
165.09082	3.2
171.10178	4.0
180.49153	1.9
181.12233	6.6
199.09685	2.4
199.13316	11.7
201.11246	79.7
202.11526	5.0
207.10155	10.8
209.11867	1.8
211.13264	3.4
217.14381	3.2
225.11263	25.5
229.58951	1.9
235.08018	1.7
243.12445	7.6
253.09261	8.5
277.21707	44.1
278.21960	3.9
293.21170	2.1
311.22125	2.3
425.77100	1.7
461.20062	6.2
721.41736	2.3
739.42584	7.2
740.42932	2.0
757.43713	100.0
758.44153	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	757.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00191	1.2
54.73358	0.7
56.08250	0.7
59.01243	9.8
61.98702	3.4
63.00676	0.7
71.01255	100.0
72.01627	0.9
73.02821	1.7
78.95776	3.6
83.01258	1.5
85.02821	1.5
87.00754	1.0
89.02321	1.9
98.19819	2.0
99.00777	1.0
101.02333	3.9
109.06491	2.7
113.02345	1.4
125.09597	1.8
127.11163	1.7
137.09605	1.0
150.84650	0.8
152.99489	1.8
153.09085	1.0
161.04453	2.1
163.11223	1.6
171.10187	52.4
172.10518	2.4
181.08638	1.1
181.12289	1.5
199.09657	5.9
199.13426	1.0
201.11249	8.0
207.10127	7.3
211.13226	1.2
225.11253	6.2
235.08212	5.5
253.09219	8.0
277.21722	98.5
278.22061	11.7
364.95819	0.7
435.19174	1.0
447.21051	1.0
461.20392	1.7
721.41998	1.6
739.42126	1.0
757.43628	9.5
758.43628	1.8
782.99194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00196	1.0
54.20258	0.5
58.00477	0.6
59.01249	10.3
61.98706	2.8
68.99682	0.7
69.87814	2.4
69.88233	1.0
71.01254	100.0
72.01593	1.3
72.99191	0.7
73.02825	2.0
74.59652	0.5
78.95776	5.2
83.01264	0.8
85.02825	2.0
87.00749	1.7
89.02309	3.1
96.64838	0.6
96.95891	0.5
97.02827	1.4
98.20502	1.1
99.00750	1.5
101.02315	4.3
109.06467	5.1
113.02338	1.8
117.44296	0.5
119.03399	1.2
125.06013	0.5
125.09604	2.3
127.11185	3.3
137.09601	1.1
151.07733	0.6
152.99519	3.3
153.09084	0.7
155.10664	1.2
161.04449	1.7
163.11136	2.8
171.10182	92.8
172.10547	5.4
179.05495	0.7
181.08595	0.6
181.12265	1.9
185.11774	1.1
189.09085	0.9
197.11760	2.2
198.12029	0.6
199.09703	11.3
199.13289	2.0
201.11267	16.5
202.11670	1.0
207.10191	11.2
207.12114	0.7
208.10518	0.9
209.11664	1.0
211.13377	0.8
212.35565	0.6
215.12849	2.0
216.13243	0.7
217.17252	0.5
225.11298	10.4
226.11578	0.7
235.08162	1.5
243.12360	1.7
246.54366	0.6
253.09267	10.8
277.21725	58.5
278.22113	6.2
309.20624	0.8
311.22171	1.4
435.18481	1.7
445.20132	0.7
447.21750	0.8
461.20084	2.9
499.00125	0.6
524.11548	0.6
684.53821	0.7
719.70544	0.6
721.41626	2.4
722.42810	0.9
739.42255	1.9
757.43439	12.3
758.44128	3.2
769.69226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00172	0.9
53.79926	0.7
59.01251	9.0
61.98705	1.0
69.94235	3.6
71.01249	100.0
72.01596	1.5
73.02810	1.4
73.84460	0.7
78.95773	3.2
85.02820	1.2
87.00744	1.5
89.02312	2.0
97.02812	0.9
99.00761	1.6
101.02319	4.7
109.06473	2.9
113.02341	1.3
119.03418	0.7
125.09618	2.0
127.11185	2.0
145.05016	0.7
152.80518	0.7
152.99509	1.3
155.10629	1.2
161.04440	2.3
163.11212	2.2
171.10172	70.3
172.10564	3.2
181.12274	1.5
197.11748	1.4
199.09682	7.6
199.13310	1.7
201.11253	11.4
207.10194	12.1
215.12845	1.3
216.13202	0.8
225.11238	8.7
235.08224	4.0
246.91557	0.8
253.09229	9.8
254.09604	0.7
257.98529	0.8
273.18463	0.7
277.21701	83.2
278.22031	8.1
435.18591	1.3
461.20462	1.6
721.41748	2.7
739.43207	0.9
757.43658	11.0
758.44482	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	757.437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	35.5
61.98697	5.2
65.93597	1.8
69.08803	1.8
71.01250	6.5
71.58591	3.1
78.95781	18.4
85.02834	2.4
87.00758	11.6
89.02319	4.0
97.02113	1.9
99.00751	5.2
101.02320	4.1
113.02332	2.9
118.54282	1.8
125.09611	8.0
127.11160	4.6
143.03363	2.3
148.00305	1.9
152.99475	6.7
155.10712	3.0
161.04506	2.8
162.49097	2.1
163.11150	7.4
171.10155	6.8
181.12251	6.7
197.11839	2.5
199.13368	5.4
201.11273	52.1
207.10207	9.6
209.11768	2.6
211.13358	2.4
217.14157	2.0
225.11238	16.6
235.08203	7.5
243.12350	4.8
253.09297	8.5
277.21716	98.7
278.15726	2.0
278.22012	7.5
291.19565	2.0
311.22385	4.2
461.20059	2.4
721.41559	3.0
739.43030	10.5
757.43726	100.0
758.44098	23.0
778.52087	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	757.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53181	0.4
57.03300	0.6
59.01249	14.6
61.39453	0.3
61.98682	0.5
69.03321	0.7
71.01247	3.5
73.02810	0.8
78.95773	1.4
81.03315	0.8
83.01225	1.0
83.04893	0.8
83.90800	0.3
85.02797	0.7
87.00751	0.9
88.15302	0.4
89.02303	2.7
95.04925	0.7
97.02818	1.4
97.06469	1.4
99.00758	0.5
101.02319	2.8
109.06413	0.4
113.02336	1.7
119.03436	0.7
121.06506	0.5
123.04420	1.2
125.09653	2.2
127.11153	1.8
128.43671	0.4
135.07985	0.4
137.09615	1.5
152.99487	0.9
161.04449	1.1
163.11188	2.8
165.12721	0.7
171.10175	100.0
172.10501	3.8
181.12273	0.9
185.11768	2.7
191.14357	2.7
193.12236	0.4
197.11723	0.5
199.13312	0.5
207.10266	1.5
209.11778	7.1
210.12299	0.7
211.13457	2.1
217.15970	0.5
223.13416	0.5
225.11371	2.1
226.11839	0.5
227.12781	1.0
228.13182	0.6
231.09979	0.6
235.08156	3.0
237.11324	0.7
245.19052	5.9
253.09279	10.0
263.20221	2.0
271.17014	1.0
277.21719	0.5
289.18088	32.0
290.18423	3.0
291.19653	0.8
293.21109	0.9
294.21585	1.0
307.19131	28.6
308.19406	2.4
310.20929	0.5
327.21811	0.6
407.19278	1.2
408.20410	0.4
445.20761	0.8
475.49020	0.4
525.26813	0.8
543.28040	0.9
697.38385	0.7
757.43628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	29.0
67.03613	15.5
71.01233	23.5
78.95772	49.8
85.12846	18.1
98.19759	41.2
111.91434	14.5
152.99478	19.8
161.32503	16.7
165.04292	15.3
207.10231	27.6
209.11765	36.1
211.13406	20.6
225.11220	100.0
255.23154	23.1
277.21585	92.7
278.22006	36.2
321.14978	17.2
461.20059	51.4
493.03842	18.2
513.29767	17.3
721.41473	26.4
757.39301	74.1
777.12689	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	757.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88570	10.0
55.61356	10.6
59.01247	21.6
61.98699	15.7
69.44292	9.7
70.08614	19.2
70.09025	43.6
71.01241	23.2
75.00737	98.2
78.95771	53.9
84.98020	10.7
98.20505	13.3
125.26613	10.5
152.99490	19.5
207.10158	26.8
225.11258	61.5
226.11687	12.0
255.23285	16.9
277.21692	100.0
278.22049	12.6
292.47101	10.8
293.21335	17.9
357.32779	12.1
757.39331	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61527	3.4
57.03326	3.7
59.01249	32.1
61.98701	30.4
64.50372	3.2
71.01254	13.8
71.19408	3.6
73.02851	3.6
79.95609	5.5
80.96358	6.5
81.95135	4.2
82.95255	4.4
83.02398	4.4
83.04903	4.1
85.02827	9.8
87.00727	6.2
89.02314	5.1
93.03362	4.7
93.59333	3.6
96.95891	57.9
98.19827	8.9
98.95465	15.3
99.00743	4.5
101.02314	8.1
113.02393	4.9
137.09627	4.5
165.12646	4.6
169.12315	6.6
171.10172	14.8
183.13812	5.9
190.02499	4.2
197.11835	9.1
205.27174	3.4
209.11748	68.3
210.12050	12.1
211.13356	100.0
227.12790	15.7
228.13101	5.5
235.08217	10.0
253.09187	19.3
269.04355	5.8
284.03427	4.6
285.04120	9.2
309.20660	15.1
310.21075	5.2
327.21786	28.6
355.80316	3.8
413.28275	3.8
447.22137	10.5
471.51376	4.0
541.26843	5.0
639.34521	5.1
666.88855	4.7
757.39984	25.4
758.38123	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	757.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
59.01243	5.5
61.98696	2.2
63.02277	1.1
65.00200	0.9
69.38703	3.9
70.11738	0.4
71.01252	2.8
71.30325	0.4
72.99181	0.9
73.02808	0.8
74.45283	0.4
75.00748	0.5
78.95812	0.4
83.01276	1.1
83.02388	0.4
85.02837	1.5
85.36238	0.4
87.00753	0.8
89.02313	1.3
93.03353	2.4
94.98068	0.5
95.01257	0.7
96.95892	4.4
98.95480	0.9
99.00761	0.7
101.02342	1.2
107.01266	1.9
108.02064	0.9
109.02836	1.7
113.02323	1.2
121.02835	1.5
121.61683	0.4
123.04375	0.8
123.25262	0.4
124.01572	0.5
125.02331	1.1
133.02846	4.1
134.03613	1.4
135.00761	0.5
135.04462	0.9
135.08032	0.5
137.02339	4.8
139.07495	0.4
143.03555	0.4
143.04706	0.4
149.02351	3.1
149.06078	0.7
150.03059	0.7
151.00272	3.8
151.03856	0.5
152.01028	1.3
153.01839	1.7
160.01598	0.8
161.02307	0.8
161.04506	0.4
161.05943	0.4
162.06804	0.4
164.04672	1.4
165.01912	0.5
165.05438	0.6
167.03484	0.5
171.10155	1.4
175.00253	0.4
175.02481	0.8
175.03941	2.3
177.01884	0.7
180.81851	0.4
183.13792	0.5
185.06000	0.7
190.02654	0.9
193.05000	1.1
195.06572	0.4
197.06082	0.8
199.03947	1.4
201.01921	0.5
205.05013	1.4
208.03708	0.5
209.11761	2.3
211.13379	0.8
213.05527	0.6
217.04936	0.7
223.06071	1.1
224.06419	0.4
225.11298	0.8
227.12843	0.5
238.28412	0.5
239.03549	0.5
241.04817	0.5
243.02953	0.6
251.65205	0.4
255.02972	0.7
256.03668	1.3
272.36420	0.4
276.98221	0.4
283.02548	0.6
283.98581	0.5
284.03262	20.7
285.04025	100.0
286.04379	6.1
423.03336	0.4
461.20328	0.7
603.10352	0.4
616.34741	0.5
669.37762	0.7
757.30676	30.2
758.31073	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	755.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.2
71.01265	4.1
71.57622	1.5
71.58011	1.4
78.95757	3.1
87.00738	4.7
89.02309	2.5
101.02328	4.8
113.02306	2.0
129.01813	1.6
152.99565	1.4
169.12271	2.3
171.10187	2.5
173.04355	1.2
181.12285	12.4
199.13338	100.0
200.13655	5.9
209.11778	3.9
213.46097	1.4
227.12932	1.6
229.10745	1.2
235.08098	3.4
253.09267	19.7
255.23280	4.5
259.15479	5.0
277.21713	75.7
278.22125	8.2
293.21341	1.9
294.21490	1.3
309.20679	2.1
327.21759	1.6
457.54810	1.4
459.34988	10.1
514.79901	1.5
526.65564	1.6
755.44708	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	755.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00408	0.8
59.01247	9.7
61.98700	1.5
71.01247	3.7
71.57592	1.5
78.95757	2.6
82.04384	0.8
87.00752	11.8
88.00277	1.8
89.02320	1.1
101.02297	2.2
113.02330	1.1
118.68851	0.8
123.32647	0.9
133.79932	1.0
152.99434	1.3
170.12573	1.0
171.10234	1.1
181.12212	1.9
186.15440	0.8
197.11575	1.0
199.13319	100.0
200.13660	4.9
200.35489	1.1
209.11784	3.0
211.13274	1.1
235.08141	3.1
253.09236	12.4
255.23187	2.3
255.62328	0.9
277.21686	81.0
278.22083	5.7
291.19492	0.9
293.21292	1.2
295.22931	1.2
303.26587	0.9
308.02298	1.2
390.54385	1.0
430.89041	0.9
435.22256	3.2
459.34750	4.1
538.14697	0.9
604.33557	0.9
755.43915	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	755.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.1
61.98699	1.5
68.79935	0.9
69.66184	0.8
71.01257	4.1
78.95770	2.6
83.04886	3.7
85.02822	1.2
89.02329	1.9
98.20544	3.3
101.02368	1.8
152.76543	1.0
152.99481	1.5
161.04446	2.3
163.11203	3.6
165.12770	2.6
209.11775	100.0
210.12032	5.8
211.13286	1.1
219.25955	1.1
227.12843	9.5
235.08133	2.7
253.09248	8.2
259.15588	2.4
277.21725	56.0
278.22028	5.3
293.21375	2.1
309.20633	1.7
445.20547	1.8
755.41254	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	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.2
57.03306	0.5
58.00461	0.2
59.01245	3.9
62.53940	0.2
69.03321	0.4
71.01243	2.8
73.02817	0.6
80.02531	1.0
81.03324	0.8
83.01244	0.4
83.04890	4.3
84.02034	0.7
85.02827	0.8
87.00755	0.9
89.02305	2.0
93.03309	0.3
95.01273	0.2
95.04913	0.6
97.02817	1.6
97.06445	0.3
101.02306	2.7
109.06451	0.6
111.08032	2.7
113.02318	1.5
117.39507	0.2
119.03373	0.6
125.05959	0.4
125.09600	0.3
127.07505	0.3
127.11115	0.3
135.08012	0.7
136.97270	0.2
137.09619	0.6
143.03352	0.3
145.04958	0.3
147.11681	0.2
151.11157	0.3
153.12709	0.5
161.04442	1.1
163.11174	3.7
165.12762	2.9
169.12251	1.3
171.10136	1.8
179.05464	0.6
179.10733	0.3
179.14323	0.3
181.12280	1.1
183.13831	0.4
185.11766	0.5
191.10703	0.9
193.12267	0.4
197.11752	16.8
198.12077	0.6
199.13268	1.7
201.11250	0.3
207.10208	0.2
209.11754	100.0
210.12103	4.3
211.13312	4.0
212.13731	0.3
217.15822	0.2
221.11780	0.3
225.11253	0.7
227.12822	12.5
228.13139	0.8
229.14568	0.2
229.32912	0.2
235.08167	3.6
247.20662	0.8
253.09248	12.6
254.09610	0.6
263.20120	0.9
265.18045	0.5
273.18631	0.5
291.19644	14.3
292.19846	1.1
293.21210	0.6
309.20679	35.1
310.21045	2.5
325.20093	0.6
344.59460	0.2
392.72678	0.2
445.20627	1.1
446.20801	0.2
501.32047	0.4
519.32922	0.3
527.28394	0.3
545.29584	0.6
640.54651	0.2
644.34515	0.2
665.43542	0.2
737.40430	0.3
755.41705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.7
59.01247	4.8
61.98693	0.5
69.03320	0.5
70.15221	1.0
71.01251	3.4
72.99184	0.3
73.02804	1.0
76.04606	0.2
78.95827	0.2
80.02544	1.1
81.03323	1.3
83.01251	0.4
83.04891	4.9
84.02038	0.7
84.05212	0.3
85.02827	1.2
87.00753	0.6
89.02310	2.5
91.63227	0.2
95.01269	0.4
95.04898	0.7
96.95895	0.3
97.02802	2.2
97.06445	0.3
98.19948	0.3
99.00761	0.5
101.02309	2.9
108.73994	0.2
109.06456	0.9
111.08023	3.3
113.02317	1.7
119.03407	0.7
119.08574	0.2
123.04424	0.2
125.02359	0.3
125.05948	0.5
125.09595	0.6
127.61389	0.2
135.08025	0.6
136.01987	0.2
137.09621	0.7
143.03413	0.5
145.04956	0.5
147.11693	0.3
151.11290	0.3
153.12704	0.5
153.94186	0.2
161.04488	1.5
163.11191	4.2
164.11552	0.3
165.12758	3.6
169.12245	1.3
171.10176	2.3
179.05534	0.5
181.12253	1.3
183.13832	0.6
185.11899	0.3
191.10718	0.9
193.12271	0.5
193.15950	0.4
197.11763	15.5
198.12152	0.7
199.13293	2.4
201.11353	0.3
207.10193	0.4
209.11760	100.0
210.12091	5.4
210.13963	0.4
211.13335	4.8
223.13326	0.4
225.11264	1.1
226.11563	0.3
227.12823	13.4
228.13167	0.7
235.08180	3.4
247.20685	1.0
253.09248	12.8
254.09578	0.5
263.20032	1.1
265.17847	0.5
273.18573	0.8
289.17813	0.4
291.19635	19.0
292.19937	1.5
293.21152	2.0
307.19040	0.4
309.20679	39.0
310.20999	2.7
325.20245	0.7
445.21155	1.1
527.28406	0.5
545.29523	0.7
755.41687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16743	0.4
55.01760	0.6
57.03328	0.8
58.00460	0.5
59.01249	6.1
61.98693	1.1
63.36960	0.3
69.03323	0.8
71.01248	4.6
71.44541	0.5
72.99187	0.4
73.02824	1.2
76.01196	0.4
80.02553	1.2
81.03332	1.4
83.04885	3.9
84.02053	0.7
85.02819	1.1
87.00758	1.1
89.02306	3.3
91.03915	0.3
95.01279	0.5
95.04889	0.8
96.95874	0.4
97.02863	0.7
97.06477	0.8
99.00748	0.7
101.02320	3.9
109.06498	1.3
111.08029	4.8
113.02347	2.2
113.57188	0.4
119.03403	0.8
125.02415	0.4
125.09669	0.5
133.04967	0.5
135.08054	0.6
137.09663	0.4
143.03404	0.7
146.55519	0.3
151.11139	0.6
151.24947	0.3
153.12756	0.8
161.04434	1.8
161.90700	0.3
163.11217	3.7
164.11627	0.4
165.12770	2.5
167.10629	0.4
169.12236	2.2
171.10170	2.9
172.44005	0.3
181.12267	1.7
183.13828	1.4
185.11723	0.8
191.10730	0.7
193.12212	0.7
195.13950	0.6
197.11766	24.0
198.12158	1.0
199.13307	3.9
201.11212	1.2
207.10211	1.5
208.10504	0.6
209.11765	100.0
210.12128	4.5
211.13326	9.7
212.13490	0.5
223.13338	0.5
225.11221	1.6
226.11760	0.5
227.12837	16.1
228.13179	0.7
229.14403	0.4
235.08153	3.5
247.20552	0.6
253.09245	16.0
254.09503	0.7
263.20148	2.0
265.18024	0.8
273.18472	0.8
284.61676	0.4
291.19644	14.9
292.20044	0.9
293.21167	2.3
309.20688	46.4
310.21106	3.6
310.41599	0.4
325.20319	1.7
445.20654	1.1
463.21585	0.6
483.61334	0.4
519.33673	0.5
527.28638	0.6
545.29663	1.0
585.72198	0.4
585.81329	0.4
718.17078	0.4
737.40906	0.6
755.41443	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	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85224	1.1
59.01250	11.8
61.98705	5.2
64.44797	1.3
70.87154	1.3
70.87474	2.6
71.01260	4.5
78.95788	10.6
83.04899	1.6
89.02327	1.6
94.48949	1.1
96.96844	1.4
101.02312	2.4
116.52370	1.1
135.07787	1.4
151.11177	3.4
152.99457	3.5
161.04445	1.3
169.12262	64.3
170.12584	2.6
171.10182	13.4
178.83853	1.2
197.11838	2.2
201.67514	1.2
207.10127	1.5
209.11763	3.6
213.11282	1.9
225.11026	1.7
235.08220	2.1
238.23514	1.4
253.09291	7.3
277.21713	100.0
278.22116	8.4
291.19742	1.7
293.21317	2.7
309.20718	2.6
370.20337	1.5
405.21436	2.7
473.18820	1.4
513.30688	4.5
525.40289	1.4
597.22742	1.3
709.41541	8.5
727.43036	9.3
755.41571	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	11.8
61.98689	1.6
62.51125	0.7
69.32861	8.1
71.01231	3.9
78.95770	4.3
83.04885	0.8
84.09299	0.8
85.02830	0.9
87.00729	0.7
88.34905	0.9
89.02316	2.3
101.02338	2.0
113.02312	1.7
151.11166	3.1
152.99467	2.3
161.04482	1.3
169.12244	100.0
170.12569	4.4
171.10158	26.9
172.10396	0.9
197.11639	1.5
209.11743	2.8
211.13316	1.0
213.11250	1.6
216.71541	0.8
225.11235	1.1
235.08205	7.0
251.42505	0.9
253.09280	6.1
277.21698	69.8
278.21924	4.5
291.19766	0.9
293.21252	1.9
309.20520	1.3
329.27374	0.9
405.21368	7.5
406.06140	0.8
406.21317	0.9
407.19012	2.3
431.19150	1.6
449.20215	1.7
513.30231	1.3
700.45581	0.9
709.41608	11.1
710.41455	1.8
727.42358	8.2
728.43219	1.1
755.42206	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	755.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48502	6.6
59.01244	11.6
61.98700	48.5
62.45047	7.4
69.59132	13.4
69.59536	34.5
71.01247	9.3
78.95770	18.8
88.45914	6.8
98.19685	8.3
98.71976	7.2
195.13849	7.6
197.11687	11.2
199.13263	27.7
209.11801	67.0
223.13361	19.8
249.35657	9.0
253.09218	25.4
277.21722	100.0
278.22073	14.5
293.21280	8.4
755.43597	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	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82285	0.9
57.03310	1.7
59.01244	12.8
59.75805	0.9
61.98688	3.2
69.03316	1.1
70.59846	1.1
70.60225	2.9
71.01254	10.3
73.02798	3.0
73.40382	0.8
78.91750	11.3
78.95746	1.4
83.01214	1.2
83.04881	4.1
85.02808	2.6
87.00745	2.7
89.02319	5.5
95.01240	1.4
95.04918	1.2
97.02810	3.4
97.06459	1.7
99.00721	1.4
101.02309	7.6
109.06480	1.8
111.08032	8.6
111.56505	1.0
113.02309	4.5
119.03363	1.6
120.27515	0.9
125.02264	1.2
125.09602	1.5
137.09615	1.0
145.04915	1.1
152.99513	1.4
156.08797	1.1
161.04459	3.6
163.11212	3.4
164.11520	1.5
165.11563	1.1
165.12784	12.2
167.10558	1.2
169.12238	4.7
171.10152	8.7
179.05554	1.6
181.12256	3.0
183.13820	100.0
184.14159	3.8
185.11696	4.5
197.09953	1.7
197.11758	31.6
198.12140	1.7
199.13303	8.9
201.11234	2.8
207.10170	4.9
209.11766	45.9
210.12102	14.9
211.13524	11.6
212.13594	1.5
220.74658	1.1
225.11272	5.6
227.12840	21.4
228.13228	2.9
229.14435	1.4
235.08199	6.9
235.17259	1.0
243.12523	1.6
253.09227	16.0
254.09508	2.4
263.20126	2.7
273.18576	1.9
289.18033	4.4
290.18399	4.2
291.19644	18.7
292.19940	2.3
293.21326	8.0
307.19070	5.2
308.19559	4.7
309.20663	37.9
310.20996	4.1
325.20361	2.1
327.21805	1.6
398.01157	1.1
421.48175	1.0
445.20718	3.9
463.21936	6.3
505.26605	1.4
545.29401	2.3
557.38855	1.1
694.07703	1.1
737.40686	2.4
755.42206	95.2
756.42682	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	755.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
59.01255	6.1
59.42981	0.4
61.98715	0.9
69.03322	2.3
69.43475	3.0
69.43898	1.0
71.01254	7.9
72.99183	0.8
73.02822	1.9
75.00746	1.0
81.03349	1.0
81.59537	0.4
83.01237	0.9
85.02828	5.9
85.77789	0.5
87.00732	1.3
88.98645	0.5
89.02325	2.3
91.01797	0.8
93.03335	2.6
95.01265	2.9
96.95911	2.4
97.02850	1.2
99.00771	1.6
101.02346	3.7
102.40057	0.4
108.02052	64.8
109.02850	27.4
110.03188	0.5
111.00762	0.7
113.02333	3.7
119.03384	0.7
119.04920	1.2
120.42583	0.4
121.02859	3.0
123.00799	2.1
123.04410	2.3
124.01613	0.5
125.02364	2.3
129.22792	0.5
132.02084	0.8
133.02840	3.2
134.03595	2.1
135.00768	5.4
135.04396	1.5
137.02367	3.2
145.02945	0.5
149.02348	2.9
150.03104	1.4
151.00252	1.0
151.03963	2.8
152.01060	75.6
153.01848	40.8
153.09155	0.7
154.02191	1.0
161.02353	1.2
161.04485	0.8
163.03920	3.1
164.04688	2.4
165.01820	3.0
165.05455	0.7
168.00536	0.6
168.38022	0.4
173.04556	0.7
175.00310	1.0
175.03923	1.4
176.01089	1.7
177.01851	30.2
178.02202	1.3
179.03436	0.7
179.07089	0.8
181.05046	0.8
189.01996	0.5
190.02637	2.5
191.03241	0.9
191.05574	1.4
193.05014	2.3
195.02858	0.5
195.06628	0.8
205.05002	1.9
206.05484	0.6
209.11897	0.9
219.02936	0.5
223.06050	3.1
267.07068	1.0
284.03232	0.6
285.04163	2.5
297.06192	0.7
315.07211	100.0
316.07565	4.6
327.14346	0.5
339.07196	46.0
340.07440	2.7
349.11282	0.7
357.08365	0.9
383.06198	37.3
384.06659	2.1
401.07227	24.5
402.07556	1.8
411.84097	0.5
491.17258	0.5
653.27142	0.7
755.27423	12.3
756.27313	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34770	0.3
58.85664	0.3
59.01248	1.3
62.07352	0.3
63.02306	0.5
65.00197	0.5
71.01259	1.0
71.58363	0.4
83.01266	0.6
84.79406	0.4
85.02838	1.3
86.07053	0.3
87.00763	0.9
93.03332	3.3
95.01230	0.3
95.36864	0.3
96.95886	0.8
101.02323	0.4
107.01263	1.2
108.02053	0.5
109.02839	1.0
119.04939	0.6
121.02843	0.6
123.00814	0.4
123.04379	0.4
125.02303	0.4
133.02837	3.3
134.03616	1.4
135.04425	0.4
141.04015	0.7
149.02304	1.8
151.00273	2.8
151.03902	0.4
153.01877	0.5
155.03357	0.4
160.09729	0.4
167.03445	0.3
173.04498	2.0
175.02528	0.4
175.03915	2.0
177.01784	0.5
185.06073	0.4
191.03754	0.6
191.05521	11.5
199.03940	1.8
201.01906	0.5
205.49495	0.3
211.03951	0.4
213.05545	0.4
215.03268	0.4
217.05016	0.9
227.03461	0.4
241.04994	0.5
243.02934	0.7
246.07819	0.4
249.06276	0.4
255.03073	1.0
256.03784	0.9
267.02936	0.4
284.03250	15.6
285.04028	100.0
286.04388	7.9
321.81516	0.3
327.05084	1.0
367.10339	4.4
368.10648	0.5
447.09308	1.9
564.08728	0.4
593.15057	53.7
594.15381	7.3
755.20111	10.8
756.20618	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.5
58.58605	0.3
59.01243	5.5
61.98702	0.9
65.05949	0.4
68.99674	0.4
69.03329	2.0
71.01253	7.9
71.58555	0.5
71.58924	0.5
72.99182	0.9
73.02804	2.4
75.00737	1.7
80.96416	0.5
81.03320	0.8
81.83401	0.4
83.01255	1.3
83.04868	0.4
85.02819	5.8
87.00749	1.3
89.02291	2.3
89.21973	0.4
91.01751	1.0
93.03323	3.5
95.01253	2.7
96.47358	0.3
96.95890	3.0
97.02838	1.2
99.00756	2.0
101.02324	4.0
104.05273	0.5
106.04165	0.4
108.02042	60.1
109.02836	26.5
110.03109	0.4
111.04382	0.4
113.02314	4.5
115.00394	0.4
117.03345	0.4
119.02534	0.3
119.03392	0.6
119.04873	1.0
121.02830	3.1
123.00779	2.4
123.04426	2.0
124.01637	0.4
125.02309	2.6
132.02040	0.9
133.02835	3.7
133.04919	0.6
134.03633	1.9
135.00761	6.3
135.04420	1.6
137.02313	4.0
141.04042	0.5
143.03377	0.5
145.02844	0.7
147.04474	0.4
149.02341	3.5
149.06018	0.4
150.03081	1.5
151.00229	0.6
151.03905	3.5
152.01045	72.6
153.01836	36.8
153.02853	0.3
154.02206	1.2
155.03368	0.4
160.01547	1.2
161.02342	0.9
161.04475	1.4
162.03116	0.4
163.03906	3.3
164.04727	2.6
165.01846	3.1
165.03935	0.8
165.05389	1.1
165.12822	0.5
168.00562	0.6
173.04425	0.8
175.00401	0.7
175.03893	1.1
176.01056	1.8
177.01839	32.5
178.02254	1.2
179.03348	0.9
179.06950	0.4
181.05013	1.3
190.02658	2.0
191.03391	1.1
191.05521	1.2
193.04984	2.3
194.05338	0.6
195.02820	0.6
205.05014	2.5
206.05341	0.7
213.30705	0.4
219.02873	0.6
223.06020	3.5
225.00650	0.5
225.04178	0.6
227.12718	0.4
234.14116	0.4
267.07245	0.7
268.03540	0.5
269.04471	0.5
281.12427	0.5
284.03058	0.4
285.04016	2.7
297.06198	1.1
301.58054	0.4
315.07178	100.0
316.07477	5.3
336.05933	0.5
339.07159	41.1
340.07550	2.4
348.50146	0.5
349.11420	1.0
357.08392	1.2
375.27417	0.4
383.06149	35.3
384.06586	2.3
401.07187	24.2
402.07645	1.7
491.17059	0.8
611.26099	0.6
736.46545	0.4
755.27612	11.7
756.28412	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	755.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04698	0.4
59.01247	2.1
62.17185	0.4
64.73084	0.4
65.00191	0.6
70.72719	1.3
71.01232	1.4
74.59933	0.4
85.02813	1.8
87.00734	0.8
89.02308	0.6
93.03352	0.7
96.95894	1.0
101.02311	0.5
107.01257	1.2
108.02016	0.7
109.02828	1.1
111.00704	0.6
113.02314	0.9
115.45174	0.4
118.34795	0.5
121.02850	1.0
125.02368	0.7
133.02847	3.5
135.04402	1.0
136.93500	0.4
137.02338	0.5
145.08606	0.6
149.02304	1.7
151.00301	3.4
151.03867	0.4
152.01036	0.6
153.01817	0.7
161.02342	0.8
163.03917	0.9
169.01433	0.5
173.04453	0.7
175.03871	1.9
177.01802	0.7
191.05547	2.0
199.03946	1.3
200.04391	0.5
201.01788	0.8
217.04982	1.1
227.03387	0.6
241.05083	0.9
243.02982	0.5
255.02979	2.6
256.03854	0.5
267.03174	0.5
267.07144	0.4
283.02509	0.5
284.03271	9.7
284.57455	0.5
285.04016	100.0
286.04361	7.7
295.02527	0.5
297.03949	1.2
299.05640	0.9
307.13928	1.5
327.05066	6.1
357.06247	1.2
384.76544	0.5
433.61279	0.6
447.09244	20.1
448.09775	1.3
593.15063	40.9
594.15485	5.3
755.19446	4.5
756.21344	0.9
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
56.99030	2.7
59.01244	9.5
63.02274	3.5
65.00197	13.0
69.03304	2.6
71.01243	8.1
71.45235	2.0
71.58814	3.4
75.00738	3.8
83.01237	6.3
85.02837	10.6
87.00737	2.4
87.05418	2.2
93.03363	11.1
95.01260	5.2
96.95891	6.2
99.00758	4.5
101.02290	3.2
107.01265	16.2
108.02069	3.6
109.02827	10.1
111.00778	14.7
113.02328	3.0
117.03333	3.7
121.02795	4.0
123.00739	5.3
123.04433	2.3
125.02356	14.8
134.03639	2.3
134.43336	2.6
135.00769	4.4
135.04364	3.1
137.02316	17.0
139.00272	22.8
139.03928	2.6
149.02333	12.7
151.00273	50.7
151.03847	3.4
152.00975	4.2
153.01852	55.6
161.02356	3.6
163.00275	31.1
164.04747	2.7
165.01772	6.3
166.99657	2.2
169.01305	4.0
173.04483	2.4
175.00252	5.7
177.01830	8.9
178.99828	15.3
181.01317	8.4
183.02835	2.8
190.02594	4.6
191.03455	2.6
191.05495	5.1
192.00545	12.9
193.01344	19.4
205.05003	5.3
206.99226	18.7
207.29715	2.4
207.99960	4.1
211.03790	2.4
215.03392	4.8
217.04990	3.7
219.10291	2.4
227.03465	6.7
229.05093	3.6
243.02879	3.0
255.02974	17.3
257.04605	14.9
268.03766	7.5
269.04550	20.6
271.02420	4.8
272.03049	8.0
273.04059	4.0
283.02362	11.7
284.03232	5.3
285.04037	17.4
300.02734	58.1
301.03500	57.2
331.06708	3.9
383.05725	2.8
412.06442	2.3
548.16156	2.3
587.89233	2.7
591.54663	2.7
593.16388	11.4
605.16986	13.0
607.18787	5.9
635.18079	21.0
636.18939	3.0
645.17145	2.9
647.18011	10.3
661.15979	2.9
662.16418	6.9
697.91357	2.5
727.21069	3.8
737.19122	4.0
755.20197	100.0
756.20270	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	753.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07075	0.7
59.01249	16.0
71.01262	2.4
71.57377	0.9
78.95771	0.8
89.02306	2.1
99.00713	0.6
101.02320	1.8
113.02339	1.1
139.76472	0.7
151.11253	0.8
152.96422	0.7
153.12741	1.2
161.04494	0.8
169.12282	4.8
170.36116	0.7
171.10234	0.8
179.10648	0.9
197.11768	100.0
198.12180	4.5
199.22313	0.6
207.32680	0.8
211.13417	1.2
219.44899	0.7
235.08215	1.4
253.09293	7.5
255.23245	0.9
277.21707	52.6
278.21976	3.8
293.21234	1.2
415.19666	1.5
431.76215	0.8
433.20825	6.2
753.42194	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	754.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.2
59.01249	1.4
61.98703	100.0
62.98415	0.2
71.01249	1.0
72.99187	0.2
78.95782	0.2
82.86691	0.1
83.01297	0.2
85.02831	0.2
88.19006	0.1
89.02328	0.3
93.98109	0.1
94.34633	0.1
96.95881	1.5
99.00751	0.2
99.43826	0.1
101.02332	0.6
113.02355	0.4
120.36525	0.2
121.02855	0.2
125.02302	0.3
127.57797	0.1
133.02965	0.2
135.04448	0.2
137.02298	0.3
139.04036	0.1
148.01642	0.1
161.04463	0.2
164.04712	0.3
171.10240	0.5
175.00311	0.2
183.13913	0.2
190.02699	0.5
195.13824	0.2
197.11670	0.3
205.05054	0.4
207.10262	0.2
209.11768	1.1
210.12296	0.2
211.13379	0.3
220.12257	0.2
223.06064	0.4
227.12857	0.2
253.09201	0.4
289.07059	0.2
293.21252	0.3
294.21552	0.5
309.20792	0.2
319.10309	0.5
327.21698	0.2
397.14038	0.2
437.25574	0.2
467.22827	0.4
486.50049	0.2
754.39050	0.5
755.33362	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	753.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.03307	1.1
59.01244	5.1
61.98696	1.1
67.02151	0.2
68.11401	0.2
69.03316	0.7
70.28559	0.3
70.44830	1.0
71.01250	4.8
71.04880	0.7
72.99187	0.3
73.02805	0.8
78.91751	0.3
79.58520	0.3
80.02538	1.3
81.03331	2.1
83.01247	0.8
83.04891	5.4
84.02045	1.0
85.02833	1.3
87.00742	0.7
89.02312	2.9
90.41296	0.3
93.03307	0.4
95.01241	0.7
95.04890	1.4
97.02814	2.1
97.06467	1.9
99.00744	0.9
101.02317	4.3
106.04116	0.4
107.04950	0.4
108.83302	0.3
109.06470	2.1
111.04391	0.4
111.08032	0.6
113.02327	2.1
113.09566	0.4
119.03423	0.4
121.06506	0.4
123.04386	1.3
123.08044	0.6
124.02387	0.3
125.02325	0.3
125.05977	0.8
125.09601	3.3
135.08046	1.6
137.09605	1.0
141.12784	0.5
143.03368	0.6
145.04961	0.4
147.11729	0.4
149.09587	0.6
151.11150	0.9
153.12726	0.5
155.10646	0.3
160.58447	0.3
161.04462	1.5
161.09621	0.7
163.07542	0.3
163.11194	6.9
165.09119	0.4
165.12762	3.3
165.99107	0.3
167.10716	0.3
169.12210	0.5
171.10184	2.6
177.09148	0.2
177.12772	0.4
179.05432	0.4
179.10660	0.6
181.12227	2.8
183.13817	0.5
185.11765	3.4
191.10764	1.6
191.12830	0.4
191.14297	2.5
193.12227	0.5
195.10146	0.3
197.11755	2.3
199.13268	1.0
205.12225	0.3
207.08313	0.5
207.10199	6.6
208.10429	0.4
209.11755	100.0
210.12083	5.4
211.13310	4.3
212.13684	0.5
223.13382	0.5
225.11256	8.7
226.11620	0.5
227.12820	11.9
228.13214	0.6
235.08150	2.4
237.11261	1.1
237.47484	0.3
243.12291	0.9
245.19049	5.3
247.13342	0.5
249.14912	0.3
253.09251	9.3
254.09642	0.5
263.20129	2.5
271.17072	1.0
289.18066	22.8
290.18399	2.3
291.19574	3.8
293.21255	0.8
295.19232	0.4
307.19116	21.3
308.19574	1.5
309.20718	6.3
309.24222	0.4
310.20868	0.5
324.20679	0.3
327.19501	0.5
345.20712	0.3
347.22034	0.3
401.23221	0.6
419.24210	0.6
443.19077	0.5
445.20764	0.9
461.20392	1.4
463.21722	0.4
481.29276	0.4
499.30551	0.6
517.31836	0.4
525.26782	0.4
543.28723	0.6
545.29700	0.5
637.32208	1.2
717.37988	0.3
735.39197	1.4
753.40668	5.6
754.40955	0.9
770.81512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05127	0.9
55.01752	1.7
57.03320	2.1
58.00459	1.1
58.72152	0.9
59.01247	14.2
59.91347	1.0
61.98694	8.3
63.00116	0.8
68.29341	0.8
69.03322	3.0
69.40744	8.6
71.01252	13.1
71.04884	1.3
72.99168	2.2
73.02814	2.6
78.91771	1.6
80.02547	1.0
81.03303	4.0
83.01241	2.2
83.04881	5.5
85.02824	4.4
87.00756	3.0
89.02317	5.6
93.03318	1.0
95.01241	1.5
95.04884	4.0
96.95898	1.4
97.02821	13.8
97.06459	4.3
99.00756	11.4
101.02328	10.9
103.03817	1.0
109.02841	1.0
109.06487	9.0
110.03638	2.0
110.06824	1.2
111.04356	1.7
111.08046	7.4
113.02352	5.9
119.03410	2.6
121.06458	1.0
123.04400	1.7
123.08041	2.3
125.02285	2.0
125.06730	1.0
125.09618	8.6
127.07496	1.1
127.11166	1.0
135.08006	2.9
136.05171	1.0
137.09618	1.7
141.12779	1.0
142.02608	2.3
143.03407	1.1
143.51456	1.0
151.11157	3.3
153.12723	1.9
161.04411	3.7
161.09564	1.4
163.11189	17.1
165.12759	6.2
166.07288	1.0
169.12242	5.8
171.10182	12.1
179.05544	1.5
179.10732	2.3
179.14276	1.1
181.12265	20.5
183.13811	2.1
185.11737	2.9
189.09103	1.7
191.10751	1.8
191.14322	2.0
195.13770	1.4
197.11774	32.1
198.12117	1.6
199.13304	7.9
207.10205	59.4
208.10510	3.2
209.11772	63.5
210.12083	4.3
211.13356	15.8
212.13618	1.0
215.12929	1.1
223.09656	1.3
223.13318	2.4
225.11272	100.0
226.11542	6.5
227.12845	31.1
228.13156	1.9
235.08159	7.1
237.11351	1.1
243.12341	15.7
245.19070	4.5
247.20601	1.8
253.09250	21.2
254.09689	1.1
263.20181	3.8
273.18402	2.2
289.18097	23.2
290.18518	2.2
291.19659	29.0
292.20001	1.9
293.21182	8.4
305.17480	1.6
307.19101	22.0
308.19257	2.9
309.20700	60.2
310.20969	4.2
324.65845	1.0
336.60516	1.1
407.02850	0.9
443.19077	3.8
445.20621	2.9
461.20294	24.4
462.20599	2.9
463.21957	1.9
481.29437	1.6
499.30347	1.4
517.31891	1.9
535.32825	1.4
543.28033	1.6
545.29474	1.3
569.24847	1.1
608.84863	1.3
621.00220	1.1
637.32928	1.3
648.15875	1.1
655.32587	1.1
717.38519	1.2
735.39618	4.5
753.40576	48.9
754.40985	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	753.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	1.1
57.03332	4.4
59.01249	36.0
61.98705	0.8
65.03857	0.6
67.01758	1.1
68.99694	1.6
69.03308	2.3
71.01254	26.8
72.99181	4.9
73.02821	2.5
73.54948	0.6
75.00747	11.0
75.03679	0.7
81.03324	0.8
83.01250	1.7
85.02824	30.9
87.00753	11.7
89.02316	9.0
91.03904	0.9
93.03353	3.5
95.01258	5.7
96.95877	5.3
97.02840	1.0
98.95482	0.9
99.00750	9.7
101.02315	3.5
103.00248	3.1
107.04955	0.9
108.02044	5.1
109.02846	6.9
111.00744	2.0
111.04404	1.0
113.02332	37.5
115.00252	1.4
117.01797	1.5
117.03355	0.6
119.04912	2.2
121.02812	1.6
121.59562	0.6
123.04432	0.8
125.02339	2.4
129.01830	2.7
131.03378	1.0
134.03671	3.9
135.04396	2.3
137.02344	4.9
139.00302	0.8
144.90466	0.7
149.02353	3.2
149.06004	1.1
150.03160	3.9
151.03879	1.3
152.01073	6.1
153.01823	7.6
157.01352	0.7
159.02885	0.8
160.01578	1.2
161.02303	1.2
163.03909	2.0
164.04765	0.8
165.05516	5.3
167.03439	1.8
173.04451	1.6
175.00327	1.1
175.02414	2.3
175.03917	1.9
177.01830	2.5
179.03439	0.9
179.07072	1.0
182.47722	0.7
185.00873	0.9
190.02676	1.6
191.05530	1.8
193.03572	4.0
193.04875	4.0
194.62425	0.8
195.06509	2.6
205.05148	1.4
205.07130	3.1
207.04915	1.7
223.06024	2.4
229.35435	0.8
247.08162	1.4
249.06108	7.7
267.07205	100.0
268.07547	4.7
285.04065	1.7
291.07224	9.9
293.04660	2.0
315.07242	9.0
335.02142	1.5
335.06183	25.2
335.99741	0.7
339.07288	1.3
340.81754	0.7
383.06277	3.4
391.13843	3.6
401.07236	1.3
403.09238	0.7
521.94727	0.7
579.27960	1.4
635.76074	0.7
753.31989	31.1
754.32648	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	753.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
59.01248	0.8
60.99178	1.6
67.01767	3.8
69.03325	1.3
71.01262	1.7
73.02827	0.4
80.95613	0.2
81.03338	0.9
83.04890	0.7
85.02820	4.3
87.00754	6.6
89.03855	0.3
93.03337	28.4
94.03681	1.0
99.00765	0.7
99.04405	0.5
109.02839	0.8
111.04409	4.5
113.02303	0.7
115.03860	0.3
117.03373	0.6
127.03896	0.9
129.01836	0.7
134.03630	7.8
137.02330	0.5
140.30847	0.2
149.05969	0.8
155.03400	1.0
160.01527	0.4
171.02925	0.3
173.04466	11.4
174.04747	0.3
175.03957	1.0
178.02747	0.3
184.75893	0.3
191.05539	100.0
192.05898	3.4
193.04988	5.6
358.85977	0.2
367.10318	33.2
368.10660	3.1
438.76788	0.2
647.83197	0.2
769.29089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2244
Annotation	Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
52.57631	0.1
55.01720	0.2
55.45532	0.1
55.70693	0.2
59.01245	1.3
63.02271	0.4
64.99911	0.2
65.00224	0.4
69.96053	0.1
73.02821	0.3
80.00908	0.1
83.01263	0.5
85.02814	1.0
87.00745	0.2
89.02293	0.4
91.86614	0.2
93.03313	0.2
96.95879	0.4
99.00739	0.2
101.02340	0.3
107.01286	0.7
108.02036	0.3
113.02357	0.3
123.00804	0.2
125.02315	0.4
129.01782	0.2
132.02061	0.2
133.02881	0.6
134.03639	0.8
135.04404	0.4
136.01543	0.2
137.02356	0.2
145.02884	0.2
148.01517	0.3
149.02333	0.6
149.99535	0.3
150.03133	0.2
151.00266	1.4
151.03925	0.3
152.01065	0.2
159.04433	0.2
161.02350	0.3
163.03900	0.2
164.04767	0.2
165.84770	0.2
167.03412	0.3
169.01317	0.4
173.04396	0.3
175.03918	0.4
177.01782	0.2
179.03383	0.2
183.04388	0.4
187.03954	0.2
190.02629	0.2
191.05623	0.5
199.03871	0.3
200.04797	0.2
211.03906	0.7
212.04774	0.3
215.71669	0.2
217.05112	0.1
227.03365	0.9
228.03938	0.3
239.03455	0.3
255.02966	13.1
256.03659	4.5
257.04166	0.3
268.03717	0.4
269.04510	1.8
271.02515	0.4
281.04581	0.2
283.02478	5.5
284.03244	100.0
285.03778	11.1
286.04208	0.3
297.04077	3.7
298.04779	3.6
299.05585	91.4
300.05942	6.2
313.03351	0.3
321.07715	0.2
443.78586	0.2
447.09570	0.2
457.30878	0.2
487.12756	0.3
589.14935	0.3
593.15051	0.4
607.16638	0.4
633.03607	0.2
738.19794	0.2
753.22400	45.0
754.22699	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	751.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11863	1.0
57.03326	2.5
59.00951	1.1
59.01248	20.3
61.98685	2.7
68.48317	0.9
69.03320	3.5
71.01250	11.3
71.04873	1.3
71.87631	0.8
72.99187	1.2
73.02830	4.4
77.89403	0.9
80.02554	1.5
81.03327	2.6
83.01234	1.3
83.04890	7.1
84.40728	0.8
85.02821	6.4
87.00744	2.4
89.02300	6.3
91.03854	1.0
95.01266	1.7
95.04901	3.9
97.02830	3.8
98.20549	2.4
101.02318	10.4
109.06476	3.6
110.03622	2.1
110.16460	1.0
111.04404	1.7
111.08046	6.3
113.02323	5.7
115.28717	0.9
119.03380	2.3
120.77850	1.1
123.04426	1.6
123.08017	2.3
135.07993	1.0
136.05324	1.0
142.02655	1.2
159.11688	1.0
161.04457	4.6
167.10683	4.7
171.10150	4.3
171.11504	1.0
175.11189	1.2
177.12747	8.4
179.10666	1.8
179.14317	2.6
183.13799	2.1
189.87871	1.1
193.12250	1.9
195.13821	21.7
196.14166	1.3
197.11772	6.7
203.10651	3.8
205.12248	5.2
207.10162	1.2
209.11775	1.2
211.13300	8.7
221.11775	63.1
223.13338	54.5
224.13686	3.9
235.08125	5.3
237.11502	1.0
239.12848	100.0
240.13199	6.1
247.20509	1.3
253.09245	25.7
254.09879	1.2
257.13638	1.5
273.18564	1.5
275.20227	7.7
277.21796	1.6
289.18094	1.8
291.16278	1.4
291.19647	48.1
292.20010	6.0
293.21213	90.1
294.21616	8.4
309.20834	1.9
325.20306	1.2
394.52728	1.0
409.04327	0.9
441.76611	1.2
457.21198	4.8
459.22168	1.6
475.21774	12.5
476.22067	1.6
497.32846	1.2
515.33972	1.2
641.79388	1.2
710.70111	1.2
733.40594	1.3
751.42889	9.9
752.43036	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.3
59.01247	16.8
61.53768	1.3
61.98696	4.9
68.12788	1.5
70.95201	1.3
71.01250	8.4
71.57349	3.1
72.00595	1.3
73.01416	1.3
78.95766	3.1
81.03252	1.4
83.01216	1.3
85.02810	4.6
87.00739	1.9
89.02296	4.1
90.55010	1.4
95.39087	1.4
95.97765	1.4
96.95888	15.5
97.06454	2.9
101.02311	6.8
103.98666	1.5
109.06477	1.9
113.02314	5.5
118.27071	1.5
119.03400	1.9
123.08066	1.5
145.37379	1.7
159.11697	2.9
161.04437	2.6
169.12326	1.5
177.12741	21.2
195.13821	100.0
196.14238	4.6
207.10161	3.2
209.11778	3.9
211.13423	3.0
221.11726	5.8
223.09685	1.5
223.13312	9.4
225.11325	3.5
235.08197	3.7
239.12836	7.0
253.09297	7.7
275.20193	4.5
277.21704	2.2
289.17990	2.2
291.19510	5.3
293.21207	38.8
294.21594	3.4
307.18967	2.6
309.20782	3.4
375.30341	1.7
457.20801	2.5
475.21756	3.9
751.42657	89.2
752.42993	21.6
782.40729	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.1
58.66269	0.2
59.00947	0.3
59.01245	6.3
59.42334	0.3
60.96122	0.3
61.98697	0.5
69.03318	2.5
71.00884	0.5
71.01250	4.9
71.04871	0.9
73.02817	1.1
81.03337	0.5
83.01276	0.5
83.04893	1.1
85.02840	1.2
85.06463	0.5
85.27544	0.3
87.00751	1.2
89.02307	2.9
89.66039	0.3
93.03350	0.5
95.01283	0.5
95.04896	0.6
97.02837	0.9
97.06428	0.6
98.19833	0.8
99.00752	0.3
101.02317	3.9
109.06456	0.9
111.08028	6.1
113.02325	2.3
119.03356	0.9
121.12900	0.2
125.02307	0.5
125.09609	1.1
127.07565	0.4
135.11740	0.4
137.09637	0.5
139.03859	0.3
143.03406	0.4
145.04982	0.6
149.09619	0.9
151.11151	0.4
153.09068	0.6
153.12723	0.4
161.04434	1.8
161.05652	0.3
163.11201	0.6
165.12755	1.1
167.10666	3.6
169.12225	2.4
171.10172	0.8
177.12758	1.2
179.05484	0.5
179.10719	1.4
179.14317	3.7
181.12166	0.8
183.13808	0.4
193.12294	0.5
195.13831	10.1
196.14157	0.6
197.11749	30.0
198.12068	1.4
199.13368	1.3
205.12256	9.5
206.12608	0.8
207.10248	0.7
209.11710	1.0
211.13341	4.1
221.11742	0.7
223.13330	100.0
224.13655	7.7
225.11267	0.4
225.14902	0.4
227.12895	1.5
229.70471	0.4
235.08157	5.2
239.12712	0.7
247.20615	0.7
249.15015	0.6
253.09247	13.8
254.09625	0.5
263.20157	1.4
265.18011	0.4
273.18555	0.5
291.19650	13.0
292.19980	0.9
293.21204	0.7
307.18884	0.5
309.20688	41.5
310.21030	4.4
433.21005	0.5
441.21255	0.7
459.22324	10.6
460.22662	1.6
513.64948	0.3
515.33533	0.5
545.29480	0.8
751.41278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.6
57.03317	0.9
58.90100	0.5
58.90670	0.4
59.01250	6.2
61.46954	0.4
61.98705	0.9
62.96570	0.5
64.18510	0.5
69.03333	2.3
71.01259	4.9
71.04891	0.5
73.02808	1.1
81.03345	0.6
83.04893	1.1
85.02821	2.2
85.06464	0.7
87.00757	1.4
89.02314	1.9
89.33598	0.5
95.01250	0.6
95.04927	1.2
97.02853	0.8
97.06438	0.9
99.00792	0.7
101.02322	3.7
109.06465	1.7
111.08044	4.7
113.02330	2.6
125.09653	0.7
127.07549	0.5
142.02623	0.5
145.04971	0.8
149.09671	0.6
151.11186	0.6
153.12654	0.7
161.04468	2.5
167.10649	3.2
169.12256	2.0
171.10236	0.8
173.00591	0.5
177.12679	0.6
179.10680	1.6
179.14357	3.2
181.12297	0.9
195.13834	9.4
197.11766	25.2
198.12085	1.5
199.13406	1.0
205.12291	8.5
207.10214	2.1
209.11824	1.4
211.13344	3.3
221.11754	6.6
223.13353	100.0
224.13699	6.1
224.93437	0.5
225.11288	1.7
227.12726	0.6
229.84610	0.6
235.08200	7.2
236.08556	0.7
239.12872	3.3
253.09290	15.8
256.03604	0.5
263.20166	2.0
265.18124	0.5
273.18536	0.6
291.19675	11.9
292.20117	0.6
293.21249	6.2
294.21393	0.7
307.19318	0.7
309.20709	41.6
310.21069	3.5
405.53012	0.6
459.16016	0.7
459.22369	13.8
460.22647	1.8
475.21045	0.7
515.33856	0.7
545.29974	0.6
615.34979	0.5
651.74408	0.6
705.46484	0.7
751.42041	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	751.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.4
57.03313	6.9
58.00447	2.3
59.01247	100.0
61.98699	21.4
63.48572	1.8
64.70903	1.6
69.03323	4.6
70.24255	3.2
70.24643	3.9
71.01248	72.8
71.04871	1.9
72.04341	1.9
72.99164	7.4
73.02819	16.5
75.00741	6.6
79.21423	1.8
79.95566	2.7
81.03335	2.5
83.01279	12.3
85.02817	34.1
87.00727	10.3
89.02306	26.4
93.03313	7.6
94.29952	1.6
95.01252	7.6
96.95881	25.1
97.02825	4.8
99.00757	9.9
101.02314	46.2
108.02032	3.4
109.02838	10.4
111.00769	7.5
113.02329	36.3
116.92720	2.4
119.03377	13.1
119.04914	2.5
121.02843	4.3
123.00725	2.2
123.04414	2.0
124.01554	2.3
125.02344	13.7
127.00276	2.7
129.01819	2.0
132.02098	2.5
133.04919	2.9
134.03648	10.5
135.00787	3.3
135.04448	5.2
137.02325	10.8
139.03897	2.3
141.01854	2.3
143.03401	4.3
149.02359	10.1
150.03140	2.7
151.00246	3.2
151.03897	4.2
152.00974	4.2
153.01833	15.6
159.02977	3.1
160.01558	7.6
161.02325	2.2
161.04468	8.8
162.06758	2.2
163.03847	3.4
164.04659	6.7
165.05524	2.2
167.03380	2.4
171.10167	2.4
173.04533	2.2
175.02444	2.2
175.03917	6.5
177.01857	5.7
179.03470	4.2
179.05547	2.9
179.07028	2.2
181.04907	2.4
190.02678	6.8
191.03653	2.4
191.05524	5.4
193.05002	9.5
204.02882	2.0
205.04951	6.0
209.11780	7.9
223.06117	10.9
267.07193	7.3
270.05261	6.8
271.05920	2.8
285.04053	6.4
285.07681	8.0
297.06204	2.5
339.08398	2.8
341.27115	2.6
447.12857	4.5
453.17276	3.0
485.31119	7.4
503.32181	8.3
553.35419	2.4
585.99298	2.4
647.36444	77.2
647.47235	4.3
648.36633	10.6
649.86133	2.2
665.37396	63.8
666.37939	10.9
707.38568	17.3
719.18213	5.2
751.28613	3.4
751.39337	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	751.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03293	2.1
58.00462	2.0
59.01244	27.3
61.98699	100.0
64.94606	1.1
69.03336	2.0
69.54152	3.8
69.54578	5.6
70.85691	1.3
71.01248	19.4
71.04925	1.5
72.01574	1.2
72.99164	3.0
73.02818	3.9
73.60209	1.1
75.00735	2.3
78.69481	1.1
78.95742	1.4
81.03307	1.6
83.01254	2.1
83.04873	1.4
85.02805	6.8
87.00754	4.4
89.02317	14.7
94.32983	1.2
95.01233	2.4
96.95874	9.7
97.02814	3.6
98.19811	1.9
99.00716	1.7
101.02317	15.4
109.06491	1.8
110.20174	1.2
111.04388	1.2
112.03796	1.2
113.02338	9.6
119.03378	3.8
121.02839	1.4
125.02319	7.2
143.03375	4.7
161.04523	2.6
171.10159	5.5
179.05496	5.0
183.13814	2.8
185.11766	4.4
195.66240	1.3
197.11754	4.2
204.72734	1.1
207.10194	3.1
209.11760	14.0
210.12112	2.0
211.11438	2.0
211.13327	24.7
212.13589	2.9
212.92627	1.2
221.06555	1.5
223.09793	1.6
223.13312	2.3
225.11275	4.4
227.12669	3.4
229.14311	2.6
235.08185	9.1
235.16968	7.3
253.09322	4.8
275.20193	7.7
287.16382	1.6
289.18112	1.6
293.21201	50.3
294.21558	3.1
305.08734	1.7
305.17288	1.8
307.19052	1.5
309.20575	2.1
325.18109	1.3
336.09598	1.2
387.25394	1.6
397.13464	52.2
398.13742	3.4
415.14563	25.8
416.14816	1.4
447.22250	3.1
733.37439	3.6
751.38934	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	751.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.6
57.03320	1.8
58.00457	1.4
59.01250	42.5
61.98703	17.1
67.15035	0.6
69.03319	1.7
71.01250	29.6
71.04882	2.3
71.38800	0.9
72.99179	3.5
73.02824	5.0
75.00746	2.0
81.03322	1.7
83.01251	3.4
83.04900	0.9
85.02831	8.8
87.00754	6.7
87.04391	1.0
89.02314	28.5
95.01244	2.3
96.95878	1.8
97.02815	4.2
99.00755	2.3
101.01690	1.5
101.02319	25.2
101.02990	1.6
102.02686	0.8
109.02852	1.0
113.02325	12.5
115.03895	1.7
119.03384	7.5
121.02850	1.4
125.02351	10.2
127.19595	0.8
131.03368	1.9
139.03870	1.0
141.01831	0.9
143.03412	4.8
149.02309	1.2
149.04431	0.8
157.72119	0.7
161.04453	5.4
171.10176	1.9
179.05495	4.8
185.11748	1.1
191.17969	0.8
205.04921	0.9
209.11758	3.1
209.15251	1.4
211.13257	3.1
212.13725	1.0
217.07207	0.8
221.06616	1.6
221.15341	0.8
223.16927	2.5
225.11284	1.7
231.21179	1.1
235.08203	12.1
235.16975	19.3
236.17303	1.1
245.06560	1.0
253.09241	3.1
263.07635	0.9
275.20111	20.6
276.20438	1.6
287.07663	2.5
293.21213	80.1
294.21481	7.8
294.61191	0.9
305.08655	3.3
323.09836	1.4
361.11176	1.1
397.13486	100.0
398.13843	8.9
411.90561	0.9
415.14563	41.9
416.15030	3.6
486.09711	0.9
502.99005	0.9
517.43488	0.8
691.36041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	25.0
59.97698	2.3
60.80801	2.1
61.67058	2.1
61.98370	4.8
61.98699	100.0
71.01261	17.7
71.57493	3.7
71.57825	3.0
72.99174	3.2
73.02810	3.7
75.00723	4.4
78.95778	3.5
79.95573	2.3
83.01207	2.6
83.04896	2.6
85.02806	6.3
87.00764	3.6
89.02324	11.9
96.95882	29.6
101.02322	10.6
108.02030	4.2
109.02756	2.3
113.02324	6.7
119.03389	3.0
125.02296	5.5
134.03598	3.2
135.08047	2.8
137.02309	4.6
149.02289	3.1
153.01837	2.9
164.04691	3.6
171.10153	5.6
185.11699	3.3
193.05029	3.6
195.13901	3.5
199.13390	2.6
209.11752	21.3
211.13370	12.3
223.05960	2.8
223.13370	3.8
225.11211	4.0
227.12836	4.7
235.08174	4.3
266.68335	2.7
285.03983	3.3
287.16614	4.1
289.07397	3.6
293.21225	54.3
305.17548	3.3
397.13467	15.2
398.13950	3.2
399.13742	2.7
401.49127	2.6
415.14642	20.2
518.16748	2.5
541.10657	3.0
541.25146	2.7
691.34576	5.4
719.61688	2.7
736.45038	2.6
751.39618	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	751.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35480	0.1
57.03313	0.2
57.79137	0.1
59.01249	1.2
61.98707	0.2
71.01247	1.3
72.99176	3.3
73.02816	0.2
73.87964	0.1
73.99529	0.2
75.00742	100.0
76.01064	0.8
83.01221	0.2
85.02841	0.2
87.00754	0.4
89.02315	1.1
97.02840	0.4
101.02318	1.0
109.06463	0.2
113.02325	0.5
119.03381	0.4
125.02349	0.6
143.03340	0.2
155.49257	0.2
161.04483	0.3
163.11139	0.2
171.10146	0.4
207.10263	0.4
209.11830	0.4
211.13460	0.2
225.11246	0.7
235.08260	0.7
253.09317	0.2
277.21704	3.2
277.24765	0.2
278.22089	0.2
289.17963	0.2
293.21231	0.3
305.08878	0.2
307.19049	0.2
397.13449	5.0
398.13962	0.4
415.14597	2.0
575.70007	0.2
751.39429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.2
57.03317	0.3
57.50011	0.1
59.01246	3.2
61.98692	0.5
66.13167	0.1
66.13555	0.1
66.78982	0.1
69.03320	0.2
71.01248	2.4
72.99179	0.4
73.02808	0.6
75.00731	0.4
79.95603	2.9
82.95257	0.2
83.01264	0.4
85.02808	1.0
87.00731	0.5
88.98679	0.5
89.02316	0.9
91.01740	0.1
93.03322	0.5
95.01254	0.4
96.95882	100.0
97.02808	0.2
97.95793	0.3
98.19751	0.3
99.00780	0.4
101.02299	1.3
108.02006	0.3
109.02811	0.4
111.00737	0.1
113.02321	1.3
119.03370	0.3
119.04920	0.4
121.02843	0.3
123.00715	0.2
123.04421	0.2
124.01512	0.1
125.02339	0.5
133.02858	0.2
134.03604	0.6
135.00729	0.2
135.02884	0.2
135.04375	0.5
137.02345	0.6
139.00272	0.2
143.03448	0.2
149.02374	0.6
149.06017	0.1
149.99561	0.1
150.03076	0.4
151.00201	0.2
151.03825	0.3
152.01042	0.2
153.01816	0.6
155.03358	0.2
160.01567	0.5
161.02357	0.2
161.04442	0.5
163.03918	0.3
164.04663	0.3
165.01915	0.1
165.05473	0.5
167.03413	0.2
168.00525	0.3
173.04475	0.4
175.03920	0.5
176.00961	0.2
178.02707	0.2
179.03445	0.3
179.05577	0.2
179.07103	0.2
183.13812	0.2
190.02626	0.4
191.05511	0.5
193.04962	0.6
195.06558	0.2
205.05101	0.3
213.05539	0.2
217.05095	0.1
223.06070	0.4
256.03461	0.1
267.07278	0.7
269.04413	0.2
284.03217	0.2
285.04037	1.5
297.06052	0.2
299.05634	0.3
331.06772	0.2
335.05878	0.2
353.10355	0.2
453.17581	0.2
645.46332	0.1
647.36383	0.2
653.15381	0.4
657.38202	0.1
683.38776	0.3
707.29346	0.2
751.12677	0.2
751.29266	0.5
751.35254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
58.00458	1.2
58.19980	1.0
59.01249	28.4
61.98701	12.9
66.26286	1.1
69.03323	2.9
71.01254	21.3
72.99170	3.5
73.02810	2.7
75.00742	2.3
78.78020	1.2
78.95724	1.3
83.01253	2.0
83.04865	2.2
85.02827	5.9
85.03272	1.2
87.00751	3.7
89.02308	16.7
89.02823	1.6
92.40618	1.2
95.01302	1.7
95.04908	1.2
96.95899	3.3
97.02824	2.5
97.06465	1.3
98.20536	3.5
101.02322	17.3
109.02850	2.1
111.08024	7.8
112.84416	1.2
113.02294	7.5
119.03413	5.2
123.04366	2.0
125.02337	4.6
125.09599	1.5
137.02319	2.4
138.02736	1.3
143.03366	2.0
143.05060	1.0
149.02325	1.5
161.04420	3.2
163.03883	1.2
164.04811	1.1
171.10141	1.9
172.10579	1.1
177.12633	1.6
179.05521	3.5
179.10654	1.3
183.13800	1.3
195.13834	4.6
209.11765	15.5
210.11914	1.2
211.13356	13.7
221.06592	1.3
223.06117	1.4
225.11169	2.2
227.12779	4.5
235.08252	5.2
247.20503	2.3
253.09190	3.2
263.20111	2.2
269.04108	1.2
273.18582	2.2
287.07828	1.4
291.19650	100.0
292.20004	7.0
397.13486	48.8
397.86957	1.2
398.13715	3.1
415.14496	24.5
416.14648	1.3
689.33521	11.9
690.34735	2.2
749.34674	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	749.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45015	1.2
59.01244	14.6
61.98695	16.8
69.03304	1.5
70.97814	3.7
71.01254	6.9
72.99166	1.8
75.00723	6.8
83.01235	2.1
83.04892	5.1
85.02850	1.6
87.00738	3.2
88.98679	4.4
89.02315	5.4
96.95870	8.3
99.00694	2.2
101.02317	4.6
109.02880	1.6
113.02299	2.6
137.02242	2.0
145.89391	1.5
154.44438	1.3
161.04454	1.6
163.11157	3.0
171.10222	2.0
183.13837	5.7
209.11757	100.0
210.12051	5.0
211.13332	94.8
212.13702	5.2
225.11150	1.9
227.12859	13.6
235.08159	2.4
253.09171	7.7
291.19595	4.3
397.13431	2.7
429.21301	1.9
445.20801	3.2
447.22235	6.3
749.40198	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.2
58.58482	1.5
59.01247	27.6
60.38663	1.4
61.98394	2.5
61.98688	15.1
70.60406	5.3
71.01244	26.3
72.99187	3.3
73.95556	1.7
75.00735	3.9
83.01283	3.7
83.04885	2.6
83.87482	1.9
85.02810	6.9
87.00735	5.4
88.98679	2.9
89.02311	16.6
93.03317	1.9
95.01266	2.2
96.95883	8.6
98.19833	1.6
99.00769	1.7
101.02325	12.6
109.06462	2.1
111.08050	8.1
113.02312	10.2
113.05906	1.6
119.03376	3.9
125.02346	9.1
125.09657	2.1
133.02853	2.3
137.02313	2.6
143.03371	1.9
161.04471	4.4
167.10664	2.7
171.10138	2.6
175.03905	2.2
179.05499	3.8
179.10661	2.6
183.13885	2.2
194.82655	2.0
195.13838	5.2
197.11662	1.6
198.91914	1.6
201.11223	1.7
205.04880	2.3
209.11766	25.3
211.13300	21.2
212.13658	3.1
225.11234	3.5
227.12787	6.6
235.08179	6.5
247.20714	2.4
253.09285	3.9
273.18610	2.6
291.19650	100.0
292.19998	5.0
297.50674	1.6
352.81766	1.8
397.13474	49.7
398.13684	4.0
415.14584	23.9
447.21646	2.4
461.20813	1.7
626.51691	1.8
630.19214	1.8
689.33582	14.1
749.41919	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	749.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	5.2
59.01252	36.8
61.98702	27.2
69.03320	4.0
69.24332	15.0
69.24760	12.6
71.01259	37.0
72.99177	7.5
73.02831	5.9
75.00735	10.2
83.01273	3.5
83.04899	4.8
85.02824	7.4
87.00749	4.9
88.98656	5.0
89.02319	22.2
93.03360	4.2
95.01257	4.9
96.95883	22.6
97.02842	4.5
98.20574	6.2
98.96367	3.0
99.00760	6.9
101.02309	21.9
108.02032	3.8
109.02765	2.9
109.06399	2.7
113.02327	17.2
114.14793	2.5
114.94742	3.1
115.00233	3.2
117.03330	3.0
119.03363	9.1
121.02845	3.0
125.02312	8.8
134.03604	21.2
135.04358	3.7
137.02322	5.8
137.08179	2.6
141.04094	2.9
149.02318	7.7
149.05899	3.5
151.03900	4.1
152.01042	7.5
160.01534	7.0
161.04488	5.4
164.04652	3.5
165.05389	5.8
165.12805	19.6
171.10191	5.7
175.03876	8.1
178.02620	3.9
181.80302	2.5
183.13669	3.3
190.02713	3.7
191.05547	3.2
193.04990	27.3
197.11722	5.5
205.04922	6.8
207.10086	3.0
209.11748	14.9
211.13300	7.9
219.64012	3.0
223.06026	9.5
227.12836	4.2
243.06587	3.5
247.20541	9.1
269.04562	3.3
272.32959	2.4
273.18497	4.3
285.03958	5.3
285.07217	3.0
291.19647	100.0
292.19855	5.0
386.40842	2.9
397.13452	54.3
398.13647	3.1
415.14407	28.5
749.35809	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	749.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.6
59.01245	36.3
60.01584	0.5
69.03318	0.5
70.01855	2.6
71.01241	3.9
72.99187	0.8
73.02802	0.6
75.00738	1.0
82.56100	0.5
85.02798	2.4
87.00719	1.1
89.02328	2.3
93.03336	2.0
95.01278	0.9
96.95885	1.6
98.19733	0.5
99.00873	0.5
99.08028	14.2
101.02332	1.5
108.02047	1.4
109.02869	1.2
113.02297	2.6
117.03354	1.7
119.03368	0.9
119.04855	0.9
121.02818	0.7
125.02274	0.7
127.07529	10.4
134.03616	1.2
135.04396	0.9
137.02293	1.7
143.03418	0.5
145.02832	0.8
145.08600	100.0
146.08995	3.1
149.02339	1.4
150.03107	1.2
151.00278	1.1
151.03896	0.7
152.01021	1.7
153.01816	1.2
159.04477	0.6
161.02272	1.1
163.03888	0.6
165.05481	1.5
167.03372	0.8
173.04579	0.5
173.06082	0.5
179.05569	0.6
187.09677	43.8
188.10085	1.5
190.02583	0.6
191.05527	0.7
193.04997	0.8
195.06459	0.9
195.99846	0.5
205.12195	0.6
249.06102	0.9
267.07178	1.9
268.03769	3.8
269.04532	73.3
270.04919	4.6
285.03949	0.8
311.05658	3.0
331.06738	0.7
473.10748	2.3
553.22198	0.5
562.32568	0.6
749.24384	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	747.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21399	1.0
57.03310	2.6
59.01252	17.4
64.17683	1.0
71.01248	20.8
71.21109	2.2
72.99168	7.4
73.02825	1.8
75.00744	24.0
76.11574	1.0
77.39528	1.2
80.02515	1.6
80.96350	1.9
81.03313	1.4
83.01252	2.0
84.02052	2.0
85.02818	23.7
87.00755	7.4
88.61087	1.1
89.02329	2.6
95.01239	4.8
99.00747	13.9
103.00248	2.0
113.02330	23.9
114.02685	1.5
115.00256	3.1
117.01816	3.2
129.01822	1.7
151.33333	1.1
163.11208	4.6
165.12808	1.5
175.02379	3.8
185.11713	1.7
209.11760	37.5
210.12051	2.5
226.65295	1.0
227.12810	3.5
235.60016	1.2
249.06195	3.3
255.23264	100.0
256.23633	8.3
505.30017	3.1
551.23651	1.2
583.31775	1.5
692.46863	1.4
715.42694	88.3
716.42987	15.2
747.45337	68.0
748.45795	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	747.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01583	0.9
65.63261	0.9
78.95763	1.8
90.59317	0.9
111.05042	0.8
121.74461	0.9
152.99507	0.9
171.10081	2.0
277.21451	1.8
455.17203	3.4
456.18051	1.1
469.11475	1.4
473.18243	3.7
474.18274	1.0
496.13721	3.1
511.15872	1.3
512.13269	10.7
513.13434	1.3
526.15002	13.2
527.15247	2.7
569.16754	2.2
599.17633	1.1
601.19482	2.5
614.20148	70.7
615.20428	14.9
632.17041	1.9
646.19080	9.9
647.19550	1.9
687.23035	4.8
747.25201	45.8
747.37048	2.3
748.25427	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.4
57.03310	3.8
58.00467	5.0
59.01249	100.0
61.98687	2.0
63.60048	0.9
69.47176	9.1
71.01252	66.6
72.86873	0.9
72.99189	5.8
73.02807	2.4
83.01263	2.2
85.02826	12.9
85.25204	1.0
87.00745	5.3
89.02312	79.3
90.04302	0.9
93.03306	1.9
95.01280	5.7
96.95868	5.5
97.33224	1.2
97.71004	0.9
99.00771	1.2
99.04360	1.4
101.02320	31.4
108.02054	1.8
109.02843	2.0
110.08099	1.0
111.04478	1.0
113.02327	26.5
119.03393	29.2
121.02838	3.6
122.03652	1.2
123.00788	1.2
125.02317	2.8
131.03389	3.0
132.02042	2.4
134.03627	9.5
135.04376	3.0
136.01546	1.4
137.02322	3.2
141.04079	1.3
143.03383	6.3
149.02345	8.7
149.04413	1.9
149.05975	1.4
150.03180	7.5
151.03891	2.9
152.01059	2.5
153.01791	1.3
160.01561	7.9
161.02357	2.0
161.04462	6.2
161.05698	1.2
162.03123	1.3
163.03893	2.5
164.04712	4.2
165.01952	1.2
165.05489	7.9
175.00244	2.0
175.03957	8.1
177.05385	2.2
179.05557	20.9
179.07076	2.5
181.04967	2.5
190.02597	3.3
190.06364	1.0
193.05011	8.3
195.06540	4.7
205.05002	2.4
207.06601	1.5
223.06096	5.3
285.04044	1.5
386.09714	1.1
387.14453	1.2
505.18509	1.2
535.19702	8.1
745.27557	4.1
745.40131	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	16.4
61.98701	1.4
66.21531	0.6
69.03336	1.2
71.01262	3.4
71.57668	0.7
83.04889	0.8
85.02824	1.3
87.00735	0.9
89.02314	1.8
93.82188	0.8
96.95876	1.1
101.02329	3.4
109.06508	0.7
110.93970	0.7
113.02335	2.0
114.03687	0.6
133.61487	0.7
149.09671	0.7
159.10150	1.6
161.04440	1.0
167.10651	2.1
171.10165	4.2
179.05423	0.8
179.10680	1.1
179.14336	1.8
183.13849	5.5
193.12244	2.3
195.13800	6.3
197.11858	1.4
200.38080	0.8
205.12236	7.4
211.13330	100.0
212.13663	5.1
212.47104	0.7
223.13344	73.5
224.13686	5.7
235.08173	3.0
253.09251	7.3
309.20663	1.7
319.53528	0.8
336.96405	0.7
399.25363	1.5
417.26340	1.0
429.20993	0.8
441.21240	2.4
447.22363	9.4
448.22488	1.0
459.22330	11.0
460.22791	1.5
474.36655	0.8
609.32721	0.8
635.34302	4.0
653.35156	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	745.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59061	1.1
55.74041	1.3
57.03327	1.7
59.01249	19.6
65.00193	2.0
71.01251	13.5
72.99194	1.6
73.02806	2.0
83.01260	2.9
85.02814	6.9
87.00774	3.6
89.02332	8.9
91.01788	3.8
93.03349	5.9
95.01282	1.6
96.95900	3.9
98.20589	2.6
99.00774	2.0
101.02329	5.8
101.51744	1.5
108.02059	3.4
109.02833	4.4
111.00718	2.1
113.02335	6.9
119.01240	6.6
119.03396	3.1
119.04871	2.1
120.01151	1.5
120.99133	1.2
121.02833	19.3
122.03632	11.3
123.04407	4.5
124.01488	1.7
125.02335	2.4
129.70573	1.3
132.02066	3.3
133.02872	3.6
134.03615	9.2
135.04428	8.6
136.01550	9.8
137.02336	5.3
138.03210	1.3
141.04106	1.7
142.81097	1.2
145.02806	1.6
147.00768	5.3
147.04417	5.5
148.01634	1.5
149.02342	100.0
150.03136	80.6
151.00317	3.3
151.03905	12.6
152.01088	6.1
153.01839	4.8
159.04437	1.2
160.01572	3.7
161.02361	1.8
162.03139	3.0
163.03889	6.2
164.03278	2.4
164.03554	1.3
164.04698	63.0
165.01828	4.1
165.05481	80.7
166.02614	7.0
166.05899	4.5
167.03406	3.8
168.00510	1.8
173.04506	2.5
175.00296	40.8
175.03854	6.9
176.00925	2.2
177.01813	2.8
177.05510	2.3
178.02722	1.3
179.03500	3.0
179.05646	2.5
179.07045	9.4
180.04198	6.5
181.04994	11.3
189.01846	1.7
190.02646	88.3
191.03183	5.4
191.05476	2.1
193.01385	2.9
193.05011	5.5
195.06558	58.6
196.06915	3.0
205.05003	86.1
206.05406	5.5
208.03735	5.8
209.04439	1.6
222.05261	2.8
223.06075	77.1
224.06430	3.5
237.71765	1.3
284.03262	1.9
299.05493	2.3
329.13898	4.7
330.35715	1.6
357.13327	6.2
369.13440	4.4
372.12360	1.8
387.14478	22.7
459.16666	1.6
473.18411	9.5
491.19281	11.0
511.14771	1.6
521.20343	5.7
535.19751	15.1
536.19733	1.8
539.21436	17.5
540.21686	2.7
548.19122	4.4
549.19727	5.1
583.22119	11.0
584.22223	2.9
697.25006	11.4
698.25262	2.8
727.26416	5.2
745.27307	50.0
745.38971	2.8
746.27301	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	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52449	0.8
57.03328	1.1
58.00435	0.9
59.01248	18.5
61.98687	2.6
65.00179	1.1
65.23042	0.7
68.99674	0.9
71.01249	16.4
71.84332	0.8
72.99203	1.6
73.02818	2.5
75.00738	1.5
79.69395	0.8
81.03333	0.8
83.01264	2.7
84.04867	0.8
85.02815	6.1
87.00740	3.0
89.02313	10.8
89.03780	1.1
91.01763	3.0
91.05376	1.3
93.03316	7.3
95.01256	2.7
96.95898	4.8
97.02792	0.9
98.19733	1.5
99.00731	1.5
101.02315	9.1
104.20575	1.0
106.68976	0.8
107.04914	1.2
108.02063	4.1
109.02889	4.2
111.00787	1.1
113.02319	6.5
117.03376	1.5
119.01255	7.4
119.03387	3.6
119.04896	2.6
120.01153	2.0
121.02834	19.1
122.03629	13.6
123.00761	2.5
123.04449	4.4
123.57370	0.8
124.01559	2.5
125.02318	3.6
132.02080	2.3
133.02850	4.1
134.03616	6.5
135.04433	9.2
136.01572	9.4
136.05147	1.2
137.02339	7.0
138.02759	0.8
139.00310	1.0
139.03943	1.3
141.01807	1.0
141.04099	1.9
143.03421	1.1
145.02870	1.7
147.00786	4.4
147.04439	5.6
148.01553	1.0
149.02336	100.0
149.05975	3.2
150.03125	88.5
151.00249	2.3
151.03911	14.9
152.01044	4.3
152.04396	0.9
153.01849	4.8
159.04314	1.5
160.01576	3.1
161.02344	3.3
161.04475	2.4
161.05832	0.8
162.03113	2.6
163.03935	6.6
164.04695	65.0
165.01816	4.8
165.05479	91.2
166.02612	9.6
166.05869	4.0
167.03410	3.5
168.00584	2.0
173.04478	2.0
174.03001	0.9
175.00281	40.8
175.03780	5.1
175.07468	0.8
176.01051	4.0
177.01819	2.6
177.05467	3.0
179.03442	2.7
179.05531	1.3
179.06981	8.0
180.04193	6.4
181.04964	11.7
181.08530	1.5
183.06400	0.9
189.05501	1.9
190.02634	93.3
190.06258	2.9
191.03189	7.0
191.05510	2.3
192.04129	1.6
193.01364	2.5
193.04897	4.9
194.02014	1.0
195.06546	61.2
196.06935	2.9
205.04993	87.2
206.05345	5.6
207.02838	1.1
208.03706	5.9
209.04448	2.0
209.07994	1.1
221.04404	1.6
222.05283	2.8
223.06052	75.7
224.06432	3.8
267.06824	1.2
284.03314	1.4
285.04105	2.9
292.20102	0.9
299.05637	2.4
309.07901	1.0
310.08521	1.3
314.11594	1.7
315.07419	1.0
325.07132	1.0
325.12973	1.8
329.10330	1.4
329.13937	3.0
343.13870	1.3
356.12637	1.7
357.09537	1.4
357.13565	4.0
367.10373	1.2
369.13354	3.7
372.12408	1.2
373.12885	1.2
387.14508	22.3
388.14774	2.8
453.24826	1.5
459.16705	1.3
473.18222	10.4
474.18768	1.5
475.98795	0.9
480.41544	1.0
491.19183	12.6
492.19608	1.2
505.18600	1.1
517.18610	2.0
521.20032	4.2
535.19672	19.9
536.20203	3.6
539.21265	16.2
540.21307	2.1
548.19232	3.2
549.19684	6.3
553.20410	1.5
565.21332	1.6
583.21722	18.7
584.22284	2.6
630.02594	0.9
697.25092	9.2
698.25635	2.9
727.13568	1.4
727.25488	5.6
728.26318	1.5
745.27161	42.6
745.38708	2.5
746.27582	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	743.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
70.44747	82.5
70.45153	74.6
77.73688	34.0
78.95773	100.0
93.99753	35.6
124.36066	30.9
127.82802	35.1
171.10173	49.5
172.37819	30.8
187.83966	29.9
211.13364	63.1
281.24759	96.2
359.40277	36.7
385.58997	35.1
413.74188	37.9
429.25977	39.4
522.52399	45.3
737.70538	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	11.7
59.94458	1.3
61.98695	5.1
68.71614	1.3
71.01232	3.7
78.95773	2.3
89.02335	1.5
93.79465	1.4
101.02333	3.2
113.02326	1.9
116.92780	1.4
141.01717	1.4
167.93559	1.3
171.10173	100.0
172.10509	4.3
195.13808	4.4
195.51044	1.3
206.87392	1.3
211.13321	3.0
223.13396	1.9
229.49811	1.6
235.08209	4.0
253.09251	12.6
275.20056	7.5
293.21207	49.4
294.21426	4.7
323.84015	1.3
407.18961	3.1
469.12180	1.3
615.37994	1.3
643.53723	1.4
743.41663	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	7.3
59.00986	4.8
59.01253	53.4
59.23997	3.8
61.98708	8.2
69.03316	5.4
71.01260	37.9
71.07721	6.2
71.08044	5.4
73.02845	4.2
75.00746	7.0
78.39623	3.6
83.01265	6.5
83.04896	5.5
85.02824	14.1
87.00776	6.5
89.02335	27.3
93.03346	10.8
95.01279	5.2
96.95901	13.0
99.00751	5.3
101.02350	22.2
109.02861	7.9
109.06494	7.0
113.02312	14.8
119.03403	9.6
119.04922	6.0
121.02880	7.9
122.04484	4.2
123.04446	4.4
125.02335	7.8
134.03658	10.5
135.00769	8.1
135.04401	7.8
137.02368	19.0
139.03931	5.4
141.04068	4.2
143.03389	6.0
149.02353	15.2
150.03070	4.4
153.01826	15.8
160.01514	10.8
161.02293	8.5
161.04488	7.4
163.03934	6.3
164.04695	18.6
165.05496	8.0
167.03421	6.8
171.10175	9.3
173.04453	8.3
175.00214	4.9
175.03902	13.0
177.01945	11.8
179.03416	4.3
179.05492	8.0
179.07089	4.4
190.02672	16.5
193.05029	14.4
195.06480	8.9
197.11778	36.8
205.05006	8.5
209.11777	87.0
210.12082	9.6
211.13286	6.6
223.06105	22.2
225.11339	5.1
227.12830	28.3
228.13176	4.7
253.09323	6.5
269.04492	5.9
285.04114	7.7
291.19595	10.5
309.20715	100.0
310.21048	9.5
327.21951	5.2
387.20087	4.5
397.13608	35.0
415.14520	49.3
445.20804	6.3
495.22479	7.6
707.34686	18.7
743.32886	83.5
744.33453	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	743.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.1
59.01254	40.0
61.98700	4.4
70.03378	3.0
70.25465	9.7
71.01247	28.4
72.99176	4.6
73.02796	4.6
75.00741	3.4
83.01261	5.4
83.04883	3.7
85.02827	16.8
85.03267	3.9
87.00707	8.9
89.02312	16.7
93.03332	7.3
95.01263	4.8
96.95880	14.3
98.19858	3.4
98.50527	2.9
99.00743	5.0
101.02304	14.7
108.02035	4.5
109.02831	5.9
111.08057	6.1
113.02335	17.8
119.04901	3.2
121.02824	5.8
134.03584	8.3
135.04404	5.3
137.02293	11.5
139.89644	3.2
149.02351	9.6
151.03841	3.1
152.01080	4.1
153.01831	6.5
160.01471	3.6
161.02322	4.6
161.04373	4.4
163.03862	3.6
164.04672	12.1
171.10168	3.3
175.03856	6.4
177.01859	5.8
183.13817	3.5
190.02617	11.3
193.04970	11.3
197.11751	34.0
205.04999	11.8
208.03598	5.7
209.11774	48.9
210.12050	8.4
211.13364	6.6
223.06059	19.3
225.11288	4.2
227.12791	15.5
235.08249	4.1
269.04446	6.2
285.03912	5.4
291.19559	11.7
309.20688	100.0
310.21066	9.4
325.10898	3.2
327.21637	4.0
333.72513	3.4
397.13342	33.7
415.14600	50.0
445.55524	3.7
463.13708	3.5
495.22543	6.6
707.35083	14.1
743.32788	76.9
744.33069	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	743.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.5
57.03323	0.8
58.00489	0.3
59.01250	100.0
60.01589	1.0
69.03335	0.2
69.29783	2.0
71.01254	11.6
72.01566	0.2
72.99187	0.5
73.02821	3.7
75.00750	0.4
76.30445	0.2
78.06838	0.2
83.01253	2.1
84.22828	0.2
85.02821	7.0
87.00770	0.7
87.58133	0.2
89.02318	2.1
93.03337	0.4
95.01282	0.9
96.95872	0.2
97.02854	0.2
99.00761	2.2
101.02322	9.5
102.02665	0.2
107.04916	0.2
109.02843	0.3
111.00771	0.3
112.82333	0.2
113.02325	5.4
119.03429	0.6
119.05000	0.2
123.04376	0.3
125.02344	0.7
129.01811	0.2
135.04463	0.4
137.02382	0.3
143.03441	0.4
149.02316	0.2
151.03979	0.2
152.01158	0.2
153.01816	0.4
153.48544	0.2
159.02942	0.9
161.04462	4.9
161.05821	0.3
167.03421	0.6
173.04451	0.3
175.94342	0.2
188.37010	0.2
191.05452	1.0
225.14964	0.7
251.09229	0.2
269.10291	10.6
270.10657	0.6
273.07822	0.3
311.11340	7.3
312.12009	0.5
337.07898	0.5
348.44772	0.2
355.10507	0.2
387.20248	8.7
388.20721	1.0
413.13162	0.2
435.13000	0.8
514.17621	0.2
516.56329	0.2
585.16974	0.2
737.27277	0.2
737.66010	0.2
743.25116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	1.1
59.01247	5.8
61.98697	1.3
63.02274	1.1
65.00198	1.0
65.93975	0.5
69.03307	0.7
69.98933	3.0
71.01248	4.4
72.99168	0.5
73.02821	0.9
83.01252	1.5
85.02818	2.0
87.00754	0.8
88.98683	0.7
89.02317	1.6
96.95893	1.9
99.00767	0.8
101.02312	3.5
104.61459	0.6
105.03348	0.8
107.01244	1.2
109.02822	1.7
113.02306	1.7
119.03352	1.2
121.02814	0.7
123.00839	0.8
125.02306	1.3
133.02826	5.3
134.03583	1.7
137.02335	1.4
147.04245	0.6
149.02310	2.3
151.00262	4.9
153.01778	0.7
161.04468	0.6
164.04651	1.1
165.01839	0.6
165.12695	0.7
169.01370	0.7
171.10139	1.1
175.03902	2.8
177.01923	0.9
183.04309	0.6
183.13780	3.1
185.06001	1.4
190.02591	1.4
192.84691	0.8
193.05043	0.8
197.11725	1.5
199.03889	2.5
200.04742	0.8
205.04982	1.1
209.11739	3.7
211.03983	1.0
211.13374	2.1
213.94960	0.6
217.05069	0.8
223.06050	1.4
225.11241	0.9
227.03461	1.1
227.12782	1.2
241.05080	1.1
243.03098	0.8
245.19086	1.0
255.03061	1.3
256.03796	2.1
257.04373	1.0
267.02731	0.7
284.03235	48.2
285.04004	100.0
286.04352	6.2
289.18018	2.8
305.08716	1.7
307.19080	4.1
308.19339	1.1
309.03940	1.1
397.13461	2.8
415.14481	3.1
416.15173	0.9
471.09225	3.6
489.10345	1.3
496.93777	0.8
631.52899	0.8
655.23773	2.9
681.21777	7.4
682.21991	1.3
699.22888	58.1
700.23206	10.9
743.30896	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	741.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.5
58.00463	0.9
59.01246	5.0
66.05550	0.5
66.56143	0.5
71.01243	3.9
71.21677	0.9
71.22028	0.5
72.99160	0.7
73.02820	1.4
79.57038	0.5
80.02548	0.7
81.03307	0.5
83.01240	0.7
83.04897	3.1
85.02814	0.9
87.00786	1.0
89.02323	2.9
94.38826	0.5
95.04906	0.5
101.02328	4.2
109.06478	0.8
113.02332	2.2
119.03350	0.8
123.49686	0.5
125.09596	1.8
127.11168	2.1
135.08057	0.8
140.83653	0.5
145.04977	0.9
155.10677	0.7
161.04483	1.9
163.11208	2.4
165.09062	1.4
165.12737	1.9
170.43295	0.6
171.10226	3.3
172.10500	0.7
191.10628	0.8
201.11259	43.1
202.11609	2.2
208.04526	0.6
209.11768	86.2
210.12112	4.9
225.11169	1.5
227.12866	10.2
235.08186	6.6
253.09254	14.6
254.09671	1.1
259.20496	0.7
277.21713	100.0
278.22064	9.4
279.22485	1.2
294.21796	0.7
398.32550	0.6
419.18939	0.9
437.20096	1.4
443.32053	0.8
445.20816	0.6
513.30835	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.2
59.01246	10.9
59.27980	0.7
59.28313	0.8
60.48841	0.8
61.68567	0.8
61.98696	1.9
65.00201	1.3
65.03819	2.6
67.01752	1.5
68.99683	0.8
69.03336	1.1
71.01245	9.0
72.99173	3.8
73.02804	2.6
75.00736	1.3
81.03330	1.3
83.01238	2.1
85.02810	5.6
87.00736	2.1
88.01111	0.9
89.02314	2.9
91.01196	1.9
91.01765	32.9
91.05373	0.8
93.03328	3.7
95.01241	0.9
96.95888	4.7
97.02835	1.2
97.41478	0.9
98.19800	2.7
99.00768	3.7
101.02329	4.7
105.03347	1.0
107.01259	1.1
107.04896	2.7
108.02051	2.7
109.02832	35.2
109.06480	1.1
110.03169	1.6
111.00772	1.1
113.02325	7.0
117.03330	2.3
119.01263	1.4
119.03374	1.2
119.04890	3.4
121.02835	15.1
123.00806	0.9
123.04392	3.5
125.02347	1.9
132.02060	5.6
133.02864	2.1
133.06534	1.0
134.03635	10.5
135.00771	91.8
135.04395	4.9
136.01112	2.9
136.05215	1.0
136.15117	1.0
137.02341	11.8
139.03966	0.9
140.99358	1.2
141.04080	1.6
145.02835	1.2
147.04387	8.2
148.01537	1.6
149.02341	67.8
149.05934	2.7
150.02983	3.4
151.00174	1.3
151.03864	2.0
152.01068	4.7
153.01828	41.1
154.02185	1.0
155.03299	0.8
160.01564	18.6
161.02237	2.4
161.05911	1.1
163.03909	6.7
163.05106	1.2
164.04695	43.8
165.01866	2.8
165.05479	4.9
165.09013	1.2
167.03365	2.4
169.04976	1.5
171.10155	1.7
175.00264	7.2
175.03915	26.4
176.00941	0.9
176.04295	1.1
177.01810	1.8
178.02628	3.3
179.03442	1.5
179.06984	6.6
180.04179	1.1
187.04004	1.5
190.02641	14.8
191.03387	6.4
193.01328	8.2
193.03236	1.5
193.04979	19.2
195.06487	2.1
205.03044	1.4
205.04988	23.0
206.05376	1.7
208.03687	18.8
209.04285	1.4
209.11758	2.9
219.02821	1.4
221.04533	0.9
223.06053	100.0
224.06458	5.3
225.11186	1.0
227.12813	1.7
243.06644	4.1
243.99951	1.2
249.03871	1.2
261.42059	0.9
269.04700	1.0
285.03973	2.4
286.04422	1.7
287.04807	1.0
291.19592	1.1
297.06210	1.8
309.20761	6.6
337.09030	1.2
339.07486	1.3
373.13052	1.3
397.13367	1.0
411.09253	24.6
412.09781	2.1
415.14725	2.3
429.10327	61.3
430.10553	5.9
444.00009	0.9
499.14645	1.2
519.14960	26.3
520.15344	3.1
535.40247	1.0
537.32837	3.3
547.25647	2.9
563.25244	1.0
635.15802	4.9
636.15997	1.0
647.15936	1.0
705.42102	0.9
729.82904	0.9
743.21222	1.0
743.32532	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	741.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46585	1.3
57.03313	3.2
59.01245	17.8
61.98679	3.6
63.12661	1.4
63.95648	1.4
64.82278	1.4
69.03335	2.4
69.38938	14.3
71.01244	9.5
72.99184	1.6
73.02810	2.0
83.01265	1.7
83.04893	4.8
85.02818	3.8
87.00739	2.7
89.02351	3.5
96.95897	3.6
97.02845	3.2
97.06460	5.4
101.02302	8.3
111.08045	3.7
113.02300	2.7
117.30042	1.6
151.11194	20.7
161.04475	2.2
167.10730	2.4
169.12245	87.3
170.12567	4.7
171.10210	5.0
183.13885	2.2
185.11806	5.2
195.13814	2.6
197.11763	19.0
199.13390	3.6
205.12299	2.6
209.11685	6.0
210.12083	2.9
211.13359	11.0
212.13660	2.7
213.11250	17.2
221.11772	2.9
221.15160	1.7
223.13350	5.8
227.12784	4.3
229.14388	4.4
235.08150	4.4
239.12758	2.0
253.09259	10.0
289.17752	1.7
291.19666	12.5
293.21268	6.2
294.21552	3.4
309.20688	15.6
310.20898	3.0
327.21741	1.9
347.43170	1.7
431.19006	7.2
449.20233	6.8
714.52985	1.8
741.40607	100.0
742.40955	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	741.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.5
59.01256	10.0
69.03313	1.1
70.97294	2.0
71.01249	6.9
73.02821	2.3
81.20724	0.8
83.01225	1.3
83.04891	1.8
85.02814	1.9
87.00747	1.6
89.02315	4.6
96.95907	4.5
97.06467	5.6
98.06834	0.8
98.95467	2.0
99.00771	1.0
101.02327	6.1
101.62798	0.7
111.08043	4.2
113.02305	2.9
119.03419	1.6
125.09598	1.5
141.69441	0.8
149.09595	1.0
151.11200	16.2
161.04482	1.8
169.12259	87.9
170.12634	3.9
171.10132	2.3
185.11740	2.9
193.12138	0.8
195.10188	2.0
197.11778	24.7
199.13348	2.7
209.11784	7.9
209.21762	0.9
210.12076	3.1
211.13338	8.2
212.13689	2.9
213.11267	14.5
213.13280	1.5
227.12869	2.7
228.13080	1.0
235.08018	1.0
253.09258	6.1
263.20279	1.6
277.21631	1.6
291.19568	5.5
293.21106	2.9
294.21518	2.5
296.19009	0.9
309.20743	13.1
310.20795	1.0
311.21939	1.2
431.19336	3.9
449.20129	6.3
579.35437	1.2
741.40710	100.0
742.41003	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	741.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66361	1.4
54.41417	1.7
57.01210	1.5
58.57759	1.4
59.01242	8.6
61.98675	2.8
67.65421	1.6
68.77170	1.3
69.03329	1.5
71.01252	5.7
71.38486	2.8
83.04898	2.2
85.02824	3.3
89.02300	6.6
93.03290	2.7
97.63435	1.4
101.02338	3.2
108.02086	1.3
113.02318	3.2
126.85816	1.4
134.03619	1.6
137.02318	2.9
149.02348	1.9
150.03065	1.5
163.03914	2.3
163.11172	2.2
164.04663	2.4
171.09999	1.4
175.03922	2.3
183.13774	1.4
190.02612	2.7
193.08623	1.6
209.11758	100.0
210.12112	6.3
223.06059	2.9
227.12828	25.4
235.08247	3.4
251.21214	1.5
253.09233	7.0
285.03955	2.4
300.02884	1.5
374.95853	1.6
445.20654	6.2
446.20953	2.7
609.57544	1.6
637.32123	1.8
741.34460	20.7
742.34479	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	741.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66571	0.7
57.03329	3.4
57.03558	0.6
58.67636	0.6
59.01250	8.1
61.69865	0.7
61.98698	0.8
69.03325	1.8
69.58308	1.4
69.58710	5.1
71.01254	5.7
73.02799	1.3
83.01285	0.7
83.04870	2.7
85.02804	1.5
87.00721	1.2
89.02308	4.5
95.01204	0.8
95.04877	1.7
96.95885	1.9
97.02814	2.6
97.06467	5.4
98.20560	1.2
101.02324	5.4
109.06474	1.0
111.08035	4.0
113.02316	2.5
119.03374	0.8
125.09601	1.3
137.47258	0.6
151.10042	1.2
151.11182	18.4
161.04462	1.1
163.11171	0.9
165.12735	1.2
169.12248	82.3
170.12621	3.8
171.10127	2.7
183.13823	1.6
185.11693	2.1
187.44966	0.7
193.12257	1.0
195.10236	2.2
197.11758	14.3
198.12141	1.1
199.13304	1.4
207.10143	0.8
209.11745	4.8
210.12093	1.2
211.13341	9.2
212.13721	1.2
213.11259	13.9
214.11470	1.0
224.46907	0.7
227.12828	2.4
228.13150	0.8
235.08156	2.3
247.20692	0.8
253.09239	6.9
263.20032	0.9
277.21661	1.1
277.81284	0.8
291.19656	7.7
292.19797	1.2
309.20752	9.4
310.20868	1.1
311.21753	0.8
387.08160	0.9
405.87061	0.8
431.18994	3.9
449.20251	5.2
505.25073	0.8
561.10046	0.8
723.39691	0.9
741.40625	100.0
742.40857	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79099	6.0
57.03321	12.6
59.01248	100.0
61.98685	35.1
65.67492	5.7
69.03341	7.8
71.01248	44.2
71.07771	8.3
71.08108	11.9
73.02825	7.0
75.12912	6.0
78.95771	13.9
79.95610	7.1
85.02829	14.1
87.00764	7.7
89.02333	18.3
93.03326	7.5
96.95914	50.8
98.95494	11.9
99.00730	9.6
101.02313	58.6
113.02350	16.1
119.03380	7.8
120.47449	5.8
125.02341	14.4
143.03494	6.6
149.02411	15.1
149.05980	8.2
161.02251	7.2
161.04362	6.5
163.03870	7.6
163.87521	6.8
171.10216	21.1
175.03905	8.2
179.05569	7.1
181.12209	9.5
183.13869	12.3
190.02711	9.9
191.05576	9.2
192.13350	6.9
197.11702	9.7
199.09708	7.2
207.10178	10.8
209.11737	52.7
211.13382	39.2
223.06018	13.1
225.11317	17.5
227.12857	13.1
253.09332	9.2
285.03952	19.8
289.18152	13.9
295.29507	6.6
307.19128	68.8
308.19223	8.3
310.61490	6.5
341.23419	15.4
397.13394	48.1
415.14383	28.9
607.26184	38.4
608.26556	8.6
629.32196	7.4
637.31659	6.8
655.34253	10.9
678.24408	6.9
705.33563	42.6
706.33698	8.2
741.30975	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.2
59.01233	0.6
65.61487	0.2
65.79915	0.2
69.03329	0.3
71.01250	1.3
71.58421	0.3
73.02813	0.5
74.38952	0.2
85.02818	1.3
87.00718	0.3
93.03333	0.5
95.01257	0.4
96.95868	0.3
99.00697	0.3
101.02280	0.4
108.02029	0.3
109.02844	1.0
111.00806	0.3
113.02328	0.7
121.02840	0.5
123.00745	1.2
123.04384	0.2
124.01508	0.3
125.02345	0.9
133.02846	0.3
135.04405	0.4
137.02335	6.2
138.02718	0.3
139.00282	0.3
139.03891	0.4
149.02362	1.1
150.03174	0.4
151.00267	9.6
151.03911	0.9
152.01022	1.0
152.04669	1.7
153.01817	0.6
153.05481	0.4
154.02646	0.3
159.04431	0.3
161.02280	0.4
161.04474	0.9
163.03929	0.4
164.04645	0.4
165.01915	0.3
165.05406	0.3
166.02621	38.7
167.03227	2.4
169.59261	0.2
173.04532	0.3
175.03963	0.7
175.07492	0.2
177.01851	1.8
178.02580	0.4
179.03387	0.6
179.07057	0.3
181.04979	62.6
182.05321	2.4
184.03673	0.7
190.02614	0.3
190.06245	1.1
191.03386	0.7
191.05504	0.7
192.04184	0.6
193.05029	0.5
194.28558	0.2
195.02968	0.3
200.35332	0.2
204.04156	0.4
205.05055	0.8
205.08688	1.0
206.05765	0.3
207.06558	1.1
209.04599	0.3
220.07333	0.3
223.06093	0.3
249.05960	0.4
285.04095	0.5
293.12732	0.3
300.02811	0.4
310.27728	0.2
327.05325	0.4
329.10651	0.3
357.09875	0.4
359.11398	1.2
379.07187	0.3
387.10797	10.3
388.11188	0.9
402.13156	8.4
403.13553	0.7
417.15515	100.0
418.15851	10.3
447.09125	0.3
741.22363	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.9
57.03324	6.5
58.00449	0.8
59.01249	20.4
60.56649	0.6
67.01740	2.7
68.99683	2.7
69.03330	3.8
71.01250	29.9
72.99181	6.5
73.02809	2.1
75.00744	15.3
81.03337	1.3
83.01243	3.0
83.04878	1.0
85.02816	32.0
85.60705	0.6
87.00749	11.1
89.02318	7.3
91.01778	1.1
91.03862	1.3
93.03327	2.6
95.01262	8.2
96.95876	1.7
97.06441	0.9
98.19754	1.4
99.00740	9.5
101.02319	2.4
103.00230	2.1
107.04887	0.7
107.70309	0.7
108.02052	1.5
109.02823	2.8
111.00748	3.7
111.04343	0.7
111.08025	3.6
112.01533	1.1
113.02329	36.3
115.00246	3.6
117.01810	1.7
121.02792	0.6
123.00760	0.8
125.02326	1.0
127.03889	0.7
129.01813	2.9
133.04942	1.5
134.03589	0.8
135.00761	2.7
135.02908	3.6
135.04390	1.4
137.02318	1.7
139.00240	1.2
141.04112	1.1
149.02367	1.4
151.00218	1.3
152.00998	1.0
153.01833	4.1
157.01271	1.3
160.84766	0.6
161.20288	0.8
163.03847	0.7
165.05391	0.9
165.12752	26.6
166.13100	1.4
168.00600	0.6
173.04372	0.8
175.02350	1.3
175.03847	0.7
181.04904	1.2
183.13820	66.0
184.14162	2.6
190.02783	0.8
191.05482	2.8
191.10672	1.0
193.05005	1.2
205.07076	1.7
207.05032	1.5
209.11754	3.7
227.12802	6.5
231.04944	1.3
243.06561	2.1
249.06129	7.8
263.07608	1.5
267.07175	31.4
268.07504	1.7
269.04520	0.9
281.08755	4.2
285.03922	1.0
331.06723	0.9
335.05994	2.0
375.27249	3.0
389.10315	1.0
415.19662	7.8
426.09100	0.8
459.18762	1.5
459.24973	0.7
473.20172	3.2
477.19690	1.9
491.21439	1.3
537.16260	0.8
546.12836	0.8
547.13586	1.4
551.23285	6.4
565.24963	3.3
665.26569	1.8
679.28735	1.0
709.25531	2.8
723.27374	1.8
741.28137	100.0
742.28571	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	741.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.7
57.03294	2.8
58.72024	1.4
59.01247	30.3
65.00163	3.5
67.01711	1.7
69.03294	2.8
70.76762	1.4
71.01249	34.2
72.84827	1.5
72.99144	3.2
73.02782	6.9
75.00716	2.2
81.03269	1.5
83.01245	7.9
83.90436	1.4
84.78085	1.6
85.02818	15.4
87.00694	7.0
89.02308	11.0
90.54189	1.7
93.03325	15.4
95.01190	4.6
96.95833	4.6
97.02795	3.6
98.19653	2.9
99.00710	4.0
101.02322	29.7
107.01254	2.8
108.01986	2.5
108.38836	1.7
109.02777	4.6
111.00716	3.8
113.02326	14.4
115.00226	2.1
117.03359	16.8
119.03359	2.5
119.04917	22.1
121.02776	1.8
123.00687	4.5
123.04367	1.9
124.01487	4.9
125.02341	13.4
131.03336	2.3
131.31355	1.4
133.02841	2.2
135.00754	2.0
135.04335	3.7
136.01543	2.0
137.02319	15.2
138.03055	1.4
139.00160	4.9
139.03836	3.4
141.04034	3.5
143.03336	5.1
147.04289	2.0
149.02243	6.2
149.05858	1.5
149.99442	3.4
150.03055	2.7
150.99162	2.0
151.00259	30.9
151.03822	4.4
152.00954	4.9
152.04556	2.6
153.01842	8.5
160.03859	3.0
161.02295	2.9
161.04448	11.8
161.57928	1.4
163.00156	4.4
163.03894	3.5
164.04654	2.3
165.01733	3.3
166.02620	76.5
167.03108	6.3
168.00545	8.3
169.01222	2.3
171.10179	1.3
173.02213	2.4
173.04413	1.9
175.00122	4.2
175.03824	4.1
177.01703	5.9
178.99667	3.5
179.03157	2.0
181.01341	3.0
181.04984	88.4
182.05251	2.1
185.02280	1.6
187.03827	1.8
190.02457	2.3
191.03282	5.3
191.05347	3.5
192.00478	2.6
193.01250	3.1
193.04904	3.0
195.06404	2.3
201.01784	2.1
203.03389	2.3
205.04883	5.8
205.08508	1.6
206.05634	2.3
206.99174	2.5
207.06322	3.9
217.04926	1.9
221.06398	11.1
221.08115	3.8
241.05037	2.7
243.02731	3.0
253.05103	9.4
255.02887	1.7
256.07016	3.7
257.04358	1.6
267.02777	4.8
269.04282	6.7
271.09546	4.5
277.04773	3.4
281.04370	3.3
282.04959	1.7
284.03012	1.9
285.03915	4.7
290.78873	1.7
293.04562	37.3
294.04648	4.2
295.06058	16.7
300.02438	5.2
301.03183	6.9
307.06183	8.2
308.06586	2.9
309.07236	4.1
311.05319	1.8
319.06104	15.9
320.06030	1.8
321.07437	2.7
323.05695	2.3
323.09546	4.6
331.06680	10.6
335.05347	1.8
336.05844	1.9
337.07156	11.8
340.05652	3.3
343.20895	1.9
349.06747	5.3
362.18890	1.9
363.04593	4.6
367.07892	5.7
369.13718	1.7
387.10593	11.8
387.14438	4.1
388.10397	2.1
389.10361	1.9
397.07294	8.0
399.05746	2.1
399.14374	13.5
402.13290	9.8
403.13184	2.1
413.10422	10.0
417.15518	100.0
418.15958	12.1
447.08725	1.9
457.09158	14.0
458.08914	2.9
533.13440	3.3
577.13629	12.0
578.12756	2.0
579.15295	2.3
603.16034	5.1
621.15912	5.0
697.19928	3.1
698.04431	2.0
711.24396	2.7
712.24036	1.7
723.18274	2.3
723.24292	2.1
741.19452	98.3
742.19598	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	741.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.1
59.01252	16.0
69.31745	9.6
71.01252	9.9
72.99172	1.1
73.02793	3.2
75.00730	1.1
83.01235	2.1
85.02826	6.2
87.00710	2.4
89.02295	2.7
93.03342	9.3
95.01240	1.9
96.95863	3.6
99.00745	2.0
101.02308	8.0
107.01250	1.5
108.02074	2.3
108.81017	1.0
109.02789	3.2
111.00746	2.3
112.12453	0.8
113.02283	3.7
117.03347	15.9
119.03368	1.3
119.04916	22.4
121.02861	1.3
123.00755	2.4
123.04379	1.9
124.01513	1.8
125.02346	7.6
126.62142	0.8
127.26283	0.8
131.01262	1.1
131.03328	1.3
134.03560	1.2
135.04303	1.9
136.01535	1.0
137.02322	5.3
139.00168	1.9
143.03354	1.3
145.02797	1.7
149.02277	2.6
149.99477	2.0
150.03020	1.6
151.00299	8.5
151.03851	2.1
152.01013	1.5
153.01790	4.4
160.01543	1.1
160.03920	1.0
160.20172	1.0
161.02322	2.6
161.04430	2.2
161.05695	0.9
163.00226	1.5
163.03893	1.7
165.01747	2.6
165.05444	2.0
166.02597	14.6
166.99809	1.0
167.03276	2.7
168.00558	5.5
169.01260	1.8
173.02295	1.4
175.00179	3.1
175.03908	2.5
177.01785	2.3
178.99768	1.7
181.01353	1.4
181.04965	15.6
181.28862	1.1
187.03886	1.9
189.05476	1.1
190.02498	1.8
191.03398	1.6
191.05479	4.3
192.00500	1.7
193.01289	1.7
193.04901	1.6
195.06557	2.0
199.03831	2.1
201.01773	2.9
203.03429	0.9
205.05002	1.6
206.99229	2.0
219.02937	1.8
221.06462	2.3
223.05896	1.1
227.03383	1.2
241.04903	2.6
243.02818	2.0
249.05550	1.0
253.05038	8.3
255.02893	1.9
267.02933	4.8
269.04514	5.2
271.06024	1.2
271.09714	1.8
275.35010	1.0
277.04959	2.7
279.02881	1.2
281.04337	1.4
282.05133	1.3
283.02689	1.1
283.06036	2.2
285.03918	3.1
293.01370	2.0
293.04562	31.7
294.04761	2.1
295.03040	1.5
295.06097	17.7
300.02670	4.9
301.03400	2.7
307.06036	6.0
308.06741	3.7
309.07474	2.4
311.05515	2.4
319.02753	1.3
319.06113	16.8
320.06604	1.3
321.04089	2.2
321.07443	1.6
323.05557	2.6
331.06671	9.5
332.06775	1.0
335.05460	1.0
337.07132	14.1
340.05722	1.5
349.07123	4.4
363.04929	4.1
367.08383	6.3
379.08243	2.8
387.09821	1.5
387.14645	1.3
397.07162	7.3
398.07510	2.9
399.05185	1.5
399.14154	3.5
401.10614	1.0
402.13211	1.5
413.10281	12.6
414.10431	1.8
417.10229	1.8
417.15509	22.6
418.15961	1.6
431.11133	2.3
434.10034	1.3
439.09918	2.2
443.10907	1.9
457.09271	11.2
458.09457	1.8
483.12387	3.3
487.10303	1.7
494.86371	1.1
505.11078	1.0
519.20215	5.4
522.76605	1.0
577.13501	17.3
578.13916	2.0
579.16510	1.3
603.16968	4.3
621.16119	4.0
681.37500	1.0
697.20667	2.6
711.24146	1.3
723.19202	4.3
741.19983	100.0
742.20435	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	741.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	1.2
57.03325	1.0
59.01249	17.8
64.38924	1.1
67.02847	0.9
69.03308	1.7
71.01251	13.7
72.99174	2.4
73.02817	2.6
75.00734	2.9
79.55780	0.9
83.01257	2.6
85.02818	10.7
87.00733	3.5
88.98657	1.4
89.02294	5.1
93.03345	12.7
95.01256	1.8
96.95888	6.2
101.02336	7.0
101.74004	1.0
102.34886	0.9
103.03898	1.1
107.04866	1.7
108.02041	6.4
108.35824	1.0
109.02859	7.6
111.00714	1.0
113.02304	5.2
116.92717	2.0
117.03339	16.9
119.04910	21.9
121.02836	2.4
123.00755	1.8
123.04345	1.9
124.01518	1.3
125.02324	3.7
133.02779	1.3
134.03554	2.6
135.04391	3.9
136.01527	3.2
137.02295	4.1
141.04044	5.6
145.02817	1.3
149.02325	2.9
150.03157	5.2
151.00233	4.1
151.03908	5.0
152.01042	5.7
153.01836	6.0
155.03357	1.2
159.04283	1.2
160.03958	5.0
161.02284	2.8
161.04364	3.8
163.03900	2.4
163.57610	1.1
164.04623	1.7
165.01839	1.6
165.05446	4.5
166.02667	6.4
167.03383	2.5
173.02344	1.6
173.04469	2.5
175.00209	3.5
175.02388	1.6
175.03825	1.5
177.01828	4.0
179.03285	1.6
181.04947	9.4
187.03926	1.1
190.02678	1.2
191.03563	1.1
191.05479	7.1
192.19595	1.1
193.04965	1.8
195.06494	2.9
199.03807	1.6
201.01810	2.0
201.05402	1.2
205.04919	1.2
209.04437	1.3
209.06146	1.2
219.02899	1.7
221.06448	1.4
243.02985	2.4
247.04294	1.3
249.05830	1.3
253.05040	8.7
267.02966	6.0
267.07059	2.0
269.04431	3.0
271.05957	3.3
271.09656	1.9
272.25342	1.1
277.04968	4.3
277.07776	1.1
279.02988	1.8
281.04498	2.0
283.05997	2.1
284.03156	1.8
285.03790	3.2
286.03934	1.9
287.04709	1.6
293.01331	1.9
293.04547	34.4
294.04877	2.9
295.06131	18.3
301.10818	3.6
303.09344	2.4
307.06033	7.0
308.06805	4.9
309.07553	2.8
311.05496	2.3
315.07126	8.1
319.06110	18.7
320.06372	1.6
321.04056	2.3
321.07697	2.7
321.36816	1.2
337.07111	13.3
340.05649	1.8
341.06436	2.0
349.07001	5.7
354.46417	1.2
363.04956	5.0
367.08176	6.5
371.08456	1.4
379.08112	1.5
387.09161	2.0
397.07086	7.8
398.07718	2.0
413.10190	10.6
414.10550	2.1
417.15906	6.6
429.09418	1.6
431.11374	1.5
443.11002	1.4
457.09280	15.2
458.09497	2.2
483.13077	2.5
487.10046	1.6
577.13519	14.8
578.14099	2.1
603.16986	4.0
621.15863	4.8
657.23846	1.1
681.36499	2.8
697.20551	2.1
723.19019	3.6
741.20215	100.0
742.20520	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	741.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03321	4.1
59.01249	36.1
60.01588	0.6
65.03834	0.8
67.01756	1.2
68.99687	0.9
69.03316	1.1
70.18946	0.5
71.01251	28.5
71.04899	0.4
71.58652	0.8
72.99174	7.1
73.02806	1.6
75.00742	29.4
83.01256	1.9
83.04884	0.9
85.02821	31.3
86.03154	0.5
87.00746	11.7
89.02312	10.9
91.01762	9.8
91.03886	1.5
93.03314	0.9
95.01254	6.4
96.95877	1.6
97.02832	0.6
98.95475	0.7
99.00752	10.8
99.04394	0.8
100.11292	0.4
101.02305	2.7
103.00233	3.8
108.02035	1.4
109.02833	12.2
111.00766	2.4
112.01538	1.1
113.02328	39.5
114.02730	0.5
115.00262	1.7
117.01813	2.5
121.02793	0.5
122.73924	0.5
123.04421	0.8
125.02306	1.5
127.03864	0.6
129.01817	3.1
131.03380	1.5
134.03650	0.6
135.00778	22.8
135.02884	46.3
136.03238	0.7
137.02350	2.3
139.00282	1.5
141.04074	1.2
143.03456	0.5
147.04416	0.8
149.02374	1.2
149.04411	0.6
150.03014	0.6
151.03905	0.9
152.01054	1.3
153.00635	0.9
153.01839	14.9
155.03435	0.6
157.01312	1.3
159.02914	1.0
159.04323	0.5
160.01518	0.4
161.02393	0.6
163.03993	0.8
164.04623	0.6
165.05463	0.8
167.03418	1.1
173.04419	0.5
175.00343	0.5
175.02367	1.9
175.03883	1.1
191.05531	1.2
191.08418	0.5
193.03441	3.4
193.04919	0.6
205.05147	0.8
205.07083	3.7
207.05032	1.3
223.06171	0.7
231.05110	1.4
247.08084	1.1
249.06143	8.8
267.07193	100.0
268.07483	5.1
269.04553	1.1
273.05981	0.6
283.06033	0.8
285.03967	1.0
288.50949	0.5
291.03983	1.0
291.07205	11.4
309.08234	1.5
314.91513	0.5
315.07181	1.4
331.06610	0.6
335.06186	17.5
336.06519	0.9
339.07294	1.0
359.06082	0.5
375.26453	0.5
389.06714	0.8
419.07913	1.2
429.10843	0.7
471.11542	7.4
472.11090	1.0
477.19156	1.0
489.12631	0.7
489.19330	0.8
497.11398	1.3
519.22003	0.9
537.19873	0.5
633.13342	1.4
741.18091	7.2
742.19116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.2
59.01247	4.5
61.98689	1.0
63.02273	2.2
65.00190	18.5
71.01252	3.4
71.58385	0.5
72.99180	0.5
73.02816	0.5
75.00746	1.0
80.96387	0.4
81.03333	0.4
83.01251	7.1
85.02824	1.7
87.00719	0.5
88.98718	0.4
89.02316	1.0
91.01769	0.5
93.03336	1.1
95.01257	0.7
96.95893	2.2
97.02827	0.4
99.00756	0.6
101.02351	1.2
107.01265	25.0
107.54104	0.3
108.02148	0.6
109.02841	2.5
109.82435	0.3
113.02319	1.1
116.92725	0.4
119.03416	0.6
119.04932	0.8
121.02840	1.2
123.00728	0.5
123.04416	0.9
125.02328	6.4
132.02098	0.4
133.02841	2.0
134.03625	3.6
135.04405	67.0
136.04736	2.1
137.02362	1.7
139.03804	0.4
141.04115	0.4
145.02879	0.4
147.00839	0.3
147.04437	0.6
149.02328	3.7
149.05949	0.7
149.99493	0.9
150.03120	0.8
151.00262	100.0
152.00598	2.7
153.01833	1.2
159.04526	0.5
160.01575	1.1
161.02328	3.7
161.04439	0.4
163.03893	0.7
164.01021	0.3
164.04715	1.5
164.21910	0.3
165.01808	1.7
165.04037	0.3
165.05479	1.1
167.03482	0.5
169.01318	3.5
171.10179	0.9
175.00266	3.0
175.03894	1.6
176.00919	0.5
177.01825	2.1
178.02528	0.6
179.03419	0.4
179.07127	0.9
181.01443	0.5
181.05045	0.4
190.02615	5.3
190.99783	0.4
191.03366	0.9
191.05385	0.3
193.01373	0.5
193.04973	2.4
195.06525	0.5
205.05005	5.6
207.10081	0.4
208.03729	0.4
209.11729	0.8
215.03426	0.3
217.01508	0.4
217.04961	0.3
223.06046	3.8
225.05588	0.3
225.11198	0.3
227.13011	0.3
230.08856	0.4
243.06581	0.6
255.02843	0.3
267.07095	0.4
269.04532	1.0
284.03311	1.3
285.04016	3.8
286.04312	0.8
287.05591	60.2
288.05853	3.8
301.03677	0.7
301.07144	13.6
302.07474	1.1
313.05685	0.7
337.05487	0.6
343.25195	0.3
353.10297	0.5
373.12671	0.4
395.10291	0.4
409.11353	3.5
421.19592	0.4
454.31573	0.3
473.11081	1.5
473.17474	0.3
491.11899	2.1
535.14911	0.5
535.31470	0.4
560.69818	0.3
561.12341	2.4
565.19250	0.4
665.27301	0.4
697.17639	14.1
698.18085	2.5
741.36353	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	741.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.01242	3.7
61.98695	2.1
70.71145	0.9
71.01256	1.7
72.08302	0.3
73.02806	0.4
75.00747	0.7
77.03828	2.5
78.95765	0.3
81.03313	0.4
83.04886	0.9
84.57514	0.3
85.02811	0.5
87.00748	0.4
89.02315	1.2
93.03318	0.3
96.95860	0.4
101.02316	1.1
109.06415	0.4
113.02328	0.4
119.03425	0.4
121.02834	100.0
122.03176	2.7
124.70096	0.3
125.09644	0.4
127.99444	0.3
137.02296	0.5
141.01624	0.6
151.11142	0.5
161.04497	0.5
163.11215	0.7
165.01828	74.5
165.12683	0.3
166.02162	1.8
169.12231	1.0
170.12694	0.5
171.10144	1.3
179.16951	0.3
180.05623	0.4
181.06474	2.5
181.47508	0.3
183.13730	0.7
185.11745	0.9
191.03413	1.7
195.13849	0.7
197.06021	0.5
197.11714	1.8
198.12039	0.6
199.13199	0.5
209.11752	16.0
210.12079	6.6
211.13348	9.6
212.08278	0.3
212.13680	3.7
213.11180	0.5
213.15025	0.8
223.13278	0.4
225.05528	1.5
225.11151	0.3
227.12830	3.0
228.13036	1.7
235.08243	1.0
235.16893	0.4
237.33682	0.4
253.09280	4.2
254.09563	0.8
275.20166	0.9
276.20425	1.0
277.21719	1.9
278.22034	0.6
291.19540	2.4
292.20035	1.0
293.21216	6.9
294.21521	5.6
295.21762	0.8
307.19565	0.3
309.20599	2.9
310.21146	2.0
313.07208	2.2
357.06110	10.4
358.06644	0.8
433.19974	0.3
463.21426	0.4
547.95209	0.4
549.10114	0.6
740.40430	0.4
741.14874	3.9
741.40704	1.0
742.14380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.2
58.00837	0.2
59.01247	3.0
60.01588	0.2
61.98700	100.0
62.98415	0.2
69.58627	0.2
69.59035	1.0
71.01257	0.8
72.99195	0.2
73.02819	0.3
75.00755	0.2
81.03324	0.6
83.04897	1.8
84.05234	0.5
85.02841	0.7
87.00775	0.3
89.02321	0.4
93.03358	0.3
96.95899	0.3
99.00754	0.4
101.02333	0.3
109.02853	0.4
111.00732	0.1
112.71124	0.1
113.02345	0.5
119.04900	0.2
125.02339	0.7
125.07083	0.2
132.02956	0.2
134.03604	0.2
135.04395	0.2
137.02367	0.5
141.04082	0.5
149.02377	0.3
149.05937	0.2
152.00986	0.3
153.01878	0.5
161.02353	0.2
163.03967	0.2
165.05464	0.2
166.02687	0.2
173.04393	0.2
175.03923	0.2
179.03406	0.4
181.04999	0.2
191.05544	0.8
193.05043	0.5
201.11214	0.2
204.14944	0.2
224.17744	0.2
225.15974	1.0
226.16364	0.7
227.16655	0.4
269.04401	0.4
282.05276	0.2
285.04092	0.2
303.09473	0.4
314.04553	0.3
370.91434	0.2
371.08374	0.3
389.10248	0.6
398.66168	0.2
431.86914	0.2
441.57608	0.2
452.33667	0.5
453.33377	0.4
575.40240	0.2
619.29773	0.2
678.50061	1.2
679.50250	5.3
679.61884	0.3
680.50476	9.5
681.51416	0.4
697.21417	0.5
740.35333	0.4
740.49670	1.1
741.31073	0.3
741.48547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.6
59.01248	7.5
61.98700	3.9
62.43999	0.5
69.03335	1.0
71.01252	10.9
72.99177	0.8
73.02804	1.9
75.00778	0.6
78.95790	2.0
81.03338	0.5
83.04906	1.5
85.02806	2.5
87.00751	1.8
89.02308	3.5
95.01284	1.1
95.04912	2.2
97.02821	2.1
99.00749	0.7
99.04421	0.8
101.02312	6.2
107.04917	0.5
109.06477	2.8
110.03606	0.9
111.04416	0.9
111.08020	0.7
112.92129	0.5
113.02332	3.1
118.98409	0.7
119.03397	1.2
125.09587	1.5
127.11192	2.4
136.15506	0.5
143.03384	1.1
145.04916	0.9
152.99498	1.5
153.09102	0.7
153.12727	0.7
161.04471	2.2
161.09654	0.7
163.11205	4.0
167.10675	0.7
169.12247	1.6
171.10173	89.7
172.10545	3.6
179.05475	0.9
179.10701	0.8
181.12215	1.9
183.19601	0.5
185.11772	1.0
189.09125	2.4
197.11790	2.1
199.13298	1.8
201.11244	9.5
207.10185	11.8
208.10707	0.6
209.11725	1.3
211.13289	1.6
211.86018	0.5
215.12680	1.3
225.11259	44.3
226.11627	2.0
227.12791	1.2
235.08212	6.0
243.12315	3.6
253.09276	11.9
259.20795	0.7
263.92972	0.6
277.21701	100.0
278.21991	8.2
280.54947	0.5
293.21210	2.2
295.10251	1.0
381.35471	0.6
407.19110	1.4
434.87918	0.6
443.19580	2.9
461.20337	7.3
721.41797	2.4
722.41327	0.8
739.42096	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48161	0.7
54.93574	0.8
59.01242	10.1
69.03307	0.8
69.44797	1.5
69.45198	5.2
71.01247	7.8
71.04876	3.1
72.99165	0.9
73.02784	2.1
78.95762	1.7
83.01272	1.3
83.04887	1.0
85.02802	2.7
87.00732	2.4
89.02309	3.0
95.04898	0.8
97.02803	4.5
97.06445	3.0
99.00141	1.3
99.00757	15.6
101.02332	5.9
109.06454	1.9
110.03645	1.1
113.02314	3.7
123.08054	1.8
125.09608	9.6
127.11120	1.0
135.07982	1.3
136.05164	1.0
161.04369	1.3
163.11185	10.0
169.12268	1.6
171.10158	8.2
179.76741	0.8
181.12256	14.0
197.11748	3.7
198.12068	1.0
199.13316	13.7
201.11185	4.3
207.10190	31.1
208.10498	1.5
211.13315	1.5
225.11249	53.7
226.11565	2.3
235.08136	2.6
243.12347	8.9
253.09195	5.4
277.21689	94.7
278.22006	8.5
293.21176	1.5
315.64807	0.9
340.29019	0.9
443.18896	2.2
461.20325	6.7
462.20190	1.6
479.21210	2.2
515.82147	0.9
633.48822	0.8
721.41852	7.3
722.41754	1.0
739.42657	100.0
740.42865	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	739.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.9
57.03309	3.0
59.01244	6.3
61.54190	0.9
63.58269	0.8
69.03335	0.9
71.01251	6.9
71.04886	5.2
73.02806	1.4
79.95588	1.1
83.01234	0.9
83.04850	1.0
85.02819	1.9
87.00748	1.8
89.02313	2.1
95.04875	1.5
96.95885	16.9
97.02827	4.2
97.06471	4.5
99.00753	19.4
101.02309	4.1
109.06455	2.0
113.02316	2.3
123.08051	1.6
125.09608	9.3
134.00858	0.8
142.02649	1.0
153.12750	1.0
161.04439	1.4
163.11179	14.4
171.10179	8.6
172.03331	0.9
181.12248	24.0
197.11884	1.0
199.13358	7.6
201.11221	2.4
207.10188	25.0
208.10480	1.5
211.13280	1.8
225.11263	32.0
226.11601	1.7
230.29486	1.0
235.08095	1.7
243.12321	14.2
253.09204	3.0
277.21695	45.5
278.21985	4.4
456.59250	0.8
461.20404	4.1
479.21295	4.6
520.21375	0.9
642.04034	0.9
739.42645	100.0
740.43060	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	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
59.01247	9.3
71.01247	8.8
71.04885	2.5
71.28924	1.5
71.29254	1.1
72.99196	1.0
73.02814	1.4
75.58212	0.8
79.64451	0.8
83.01228	1.7
85.02814	1.6
87.00747	0.9
89.02307	4.6
97.02826	4.2
97.06451	2.3
99.00756	15.3
101.02311	4.4
106.18141	0.8
109.06460	1.8
113.02312	2.4
119.03358	1.1
125.08772	1.1
125.09587	6.4
127.11192	1.2
153.12665	0.8
159.49110	0.9
161.04440	1.8
163.11205	6.3
165.69617	0.8
171.10175	14.9
179.05598	0.9
181.12253	16.3
182.12738	1.1
187.89563	0.9
197.11801	1.4
199.13327	24.3
200.13657	1.3
201.11214	2.0
207.10194	34.2
208.10585	1.8
211.13371	2.0
225.11269	68.7
226.11627	3.8
235.08145	2.7
243.12347	14.5
253.09253	4.6
277.21710	54.6
278.21979	3.7
407.19131	1.0
431.93686	0.8
443.19016	1.4
461.20297	11.2
462.20328	0.9
479.21368	3.2
517.28009	1.0
519.42719	0.9
581.18732	1.0
721.41632	5.2
739.42688	100.0
740.42926	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	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72869	0.8
52.45535	0.7
55.01732	1.0
57.03313	1.7
58.00464	1.1
59.01247	10.0
60.34192	0.8
61.98686	1.2
70.35914	0.7
70.44738	2.7
71.01247	14.0
71.04871	1.8
73.02806	4.4
78.95778	2.7
83.04884	1.1
85.02813	3.4
87.00742	2.0
89.02319	4.3
91.38913	0.7
93.61047	0.7
95.01230	1.6
95.04900	1.9
97.02825	3.8
97.06460	1.6
99.00758	9.6
101.02331	6.0
105.50872	1.0
109.06476	5.2
110.03589	1.0
111.00817	0.8
113.02316	4.0
119.03391	1.1
121.06480	1.2
123.08072	1.1
125.02366	0.8
125.09608	5.1
127.11151	2.1
135.08073	1.3
139.07513	1.1
142.02605	0.7
143.48305	0.8
152.99504	1.9
155.10663	1.5
161.04442	2.2
163.11179	7.1
171.10173	42.6
179.10695	1.1
181.12241	7.6
185.11760	1.5
189.09032	2.3
190.80882	0.8
197.11754	6.0
198.12123	2.3
199.09656	2.5
199.13310	4.9
201.09346	1.1
201.11252	21.3
202.11528	0.9
207.10197	35.4
208.10582	1.6
209.11713	1.8
211.13318	3.2
215.12901	3.9
225.11266	54.6
226.11571	2.0
227.12752	1.1
235.08179	3.9
243.12358	13.7
253.09232	9.7
262.65323	0.7
272.14636	0.9
277.21713	100.0
278.22110	8.5
293.21152	2.9
309.20541	0.9
443.19266	4.0
461.20316	8.2
462.21204	0.9
479.21191	2.9
547.66479	1.0
630.84711	1.0
721.41547	7.6
722.41486	1.0
739.42596	34.6
740.42957	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	739.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62111	0.4
57.03305	0.5
59.01248	2.1
63.02266	0.9
65.00190	2.4
69.35484	1.4
69.35913	2.2
72.99163	0.4
79.30077	0.4
81.23453	0.4
83.01263	1.2
85.02829	1.2
89.02306	0.6
93.03319	0.8
95.01268	0.8
96.95871	0.6
101.02335	0.7
107.01267	2.8
108.02056	0.6
109.02837	1.7
111.00719	0.4
113.02351	0.5
116.74769	0.4
117.03341	1.2
119.04926	0.5
121.02826	1.5
125.02340	0.8
133.02859	2.7
134.03650	0.8
135.00781	0.8
135.04390	0.6
136.98741	0.9
137.02304	0.9
143.04962	0.4
145.02850	0.7
147.00853	0.4
149.02333	1.9
151.00252	5.5
152.01039	0.7
153.01802	0.9
159.04468	0.7
161.02348	0.9
163.00299	1.3
164.04724	0.5
165.01814	4.6
166.02271	0.4
166.99750	0.5
167.03419	4.6
167.04765	0.7
169.06488	0.8
171.04407	1.0
173.05928	0.4
175.03912	2.0
175.98653	0.4
177.01826	1.7
179.03520	0.5
183.04414	0.8
183.46709	0.4
185.05994	1.2
187.03931	1.5
189.05547	0.5
191.05530	1.2
192.00591	1.2
193.01318	1.4
197.06053	0.5
199.03940	2.7
200.04619	0.6
211.03970	1.9
212.04854	0.7
213.05510	1.9
214.02716	0.6
215.03400	0.9
217.05038	0.9
227.03452	1.9
228.04170	0.5
229.05009	1.4
239.03423	1.3
240.04286	1.1
241.05006	2.7
242.02191	0.6
243.02879	1.0
246.84892	0.4
255.02846	3.4
256.03638	3.1
257.04559	4.9
267.02930	1.9
268.03650	0.6
269.04501	4.8
270.04984	0.8
283.02454	2.5
284.03247	40.4
285.04013	100.0
286.04422	5.9
299.05670	0.6
309.03876	0.4
327.05176	0.5
358.47934	0.4
371.09756	0.6
379.61792	0.4
470.52417	0.4
575.14197	1.8
593.15045	0.7
665.29236	0.5
711.21851	1.0
739.20819	57.3
740.21289	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	739.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05600	0.5
57.09669	0.5
59.01248	0.9
63.02265	1.6
65.00208	1.2
83.01283	1.3
96.95912	0.8
105.03307	0.5
107.01262	2.7
107.06593	0.4
108.48235	0.5
109.02837	0.9
119.69685	0.4
121.02820	0.8
125.68111	0.4
132.02116	0.4
133.02844	5.5
134.03613	1.0
136.46208	0.5
145.34810	0.4
149.02336	1.4
151.00284	4.8
157.97882	0.4
175.03908	2.4
199.03857	3.2
201.01797	0.6
211.03998	0.9
212.04771	0.5
213.05551	0.5
215.03285	0.5
217.05023	1.9
227.03465	1.2
236.67392	0.4
239.03387	0.8
241.04999	1.0
243.02910	1.1
255.02922	1.4
256.03729	3.3
269.04526	2.0
283.02411	0.9
284.03238	61.0
285.04001	100.0
286.04364	6.3
309.03992	1.2
327.04926	1.0
381.95279	0.5
593.15240	1.2
739.20862	84.9
740.21155	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	739.2087
Annotation	CHEBI:75438
Peak:m/z	Relative Intensity
58.00438	1.0
58.83834	1.0
59.01250	20.1
60.16155	1.0
60.99162	1.7
67.01764	2.0
69.03330	1.3
70.60218	2.6
70.60570	1.4
71.01244	7.5
72.99200	1.8
73.02813	3.0
81.03326	1.3
84.83014	1.0
85.02814	9.5
86.26262	0.9
87.00747	6.4
89.02315	4.2
93.03334	19.4
96.95897	1.3
99.00726	1.4
99.04368	1.4
101.02321	2.6
103.03851	1.6
107.30998	1.0
109.02834	2.4
111.04395	3.4
115.00251	1.1
117.03355	2.1
119.04929	5.8
126.53600	0.9
129.01767	1.9
130.93852	0.9
135.04398	1.6
137.02361	2.5
145.02849	2.1
155.03372	1.2
160.63107	1.0
161.02339	2.2
163.03897	9.5
173.04483	12.1
175.00229	1.8
175.02370	1.7
177.01866	1.1
181.04875	1.1
191.05534	100.0
192.05858	2.1
241.85580	1.1
269.04526	3.3
281.04510	8.5
282.05383	6.7
283.05902	1.3
291.03027	5.6
292.03653	7.5
293.04529	31.8
293.07806	2.2
294.05118	3.1
295.05899	1.0
297.07840	1.1
306.05475	1.5
309.04031	2.0
311.05579	2.9
314.04272	1.2
321.04306	1.2
323.05585	4.5
325.06992	1.2
337.09293	30.8
337.69943	1.1
341.06870	1.4
353.06696	2.0
370.36359	1.0
413.08786	15.5
414.09079	1.9
427.80359	1.0
431.09692	1.1
455.09726	16.2
456.09753	1.1
457.11420	2.3
473.10703	3.2
485.10788	2.0
503.11798	3.2
515.11316	1.3
561.14276	1.1
563.14258	3.0
577.15698	7.0
613.08984	1.2
619.16168	1.3
739.20868	44.8
740.20770	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	739.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23256	0.5
55.01749	0.8
57.03321	5.7
58.00442	0.5
59.01248	2.3
62.71618	0.5
67.01748	0.7
71.01250	4.2
71.57497	0.9
72.99176	1.5
73.02795	0.9
75.00738	1.5
80.44320	0.5
83.01258	3.0
83.04890	0.6
84.02042	0.9
85.02814	37.4
86.03149	0.7
87.00735	2.0
93.03331	2.5
99.00736	1.0
101.02312	3.3
109.02835	1.2
111.00755	17.3
111.04396	0.5
125.02322	0.9
127.03897	0.9
129.01820	10.1
131.00008	0.5
131.96516	0.5
133.02864	0.8
134.03598	2.0
135.04404	29.4
136.04733	0.7
147.02884	1.7
158.81798	0.5
161.02322	2.4
161.04425	0.6
173.04422	1.7
179.03404	25.1
180.03781	1.1
187.02371	1.0
191.01945	1.5
191.05521	49.8
192.05861	0.9
205.03448	18.6
206.03642	0.9
209.02963	0.7
223.04523	100.0
224.04823	2.5
260.95648	0.6
353.08737	38.4
354.09097	2.3
354.72610	0.5
359.07657	1.0
385.07571	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	739.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.6
57.46279	0.3
59.01251	3.7
61.98701	0.4
65.00209	0.6
69.03325	0.6
69.29157	3.3
69.55494	0.3
71.01254	3.4
72.99159	0.6
73.02811	0.4
75.00726	0.6
80.02567	0.4
81.03326	0.6
83.01260	0.6
85.02812	1.9
87.00747	0.8
89.02325	1.3
91.01770	11.2
93.03343	1.0
95.01278	1.4
96.95892	3.9
97.02813	0.5
99.00751	0.9
101.02324	1.1
105.45322	0.3
107.01212	0.3
107.04887	0.5
108.02052	14.8
109.02846	5.9
111.00740	0.5
111.04400	0.5
113.02347	1.9
117.03358	0.3
119.04911	0.7
121.02839	1.1
122.03573	0.3
123.00758	4.7
123.04359	1.0
124.01549	0.8
125.02334	1.0
133.02879	0.5
133.04968	0.3
134.03619	1.2
135.00774	12.4
135.04385	0.8
136.01561	0.5
137.02344	3.5
141.04025	0.4
145.02800	0.3
149.02348	2.5
150.03079	0.5
151.03935	0.5
152.01050	14.3
153.01839	6.3
153.05458	0.8
160.01556	0.9
161.02338	1.3
163.03947	1.0
164.04669	1.7
165.05513	0.9
167.03381	0.7
173.04475	0.4
175.00244	0.9
175.03934	0.9
177.01814	0.8
179.03333	0.4
190.02626	2.4
191.03337	0.4
191.05548	0.6
193.04993	1.2
195.06555	0.6
196.06775	0.3
197.06009	1.0
199.07574	0.3
205.05013	2.0
213.05548	1.0
215.07076	0.7
223.06012	2.5
243.06587	100.0
244.06927	5.8
265.07040	0.4
267.69006	0.3
269.04553	0.9
279.05194	1.8
284.03198	0.7
285.03976	1.2
297.06149	1.3
336.13437	0.4
339.07178	2.0
373.25891	0.4
387.10620	0.6
405.11911	0.5
447.12930	27.1
448.13293	2.5
545.12964	0.7
739.32117	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30519	2.4
57.03306	4.6
70.44850	4.8
70.45246	7.3
75.25854	2.6
80.76440	2.3
85.02814	30.0
87.00724	2.6
96.35574	2.5
99.25700	2.4
100.24702	2.6
101.02367	3.0
111.00741	16.4
129.01833	7.4
135.04410	24.4
161.02365	2.8
179.03433	23.2
191.05544	45.8
205.03467	16.7
223.04521	100.0
250.47525	2.5
257.70273	2.6
306.67975	2.8
353.08795	39.6
361.25070	2.6
372.80096	3.0
385.07761	7.8
426.99231	2.8
447.89252	2.6
642.47003	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	739.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72126	0.3
63.02266	1.8
65.00196	1.1
69.33463	3.2
69.33794	0.5
81.63383	0.3
99.82191	0.3
100.28820	0.3
105.03311	0.4
105.36581	0.3
107.01253	2.4
109.02827	1.3
121.02825	1.3
133.02843	7.2
135.04384	0.3
135.94930	0.3
145.72586	0.3
149.02295	2.9
151.00272	4.0
152.00655	0.3
171.04407	0.6
175.00325	1.7
175.03908	2.9
176.01070	1.2
177.01801	0.6
185.05998	0.8
190.02664	2.5
191.03371	1.1
195.20679	0.4
197.06056	0.6
198.03050	0.5
199.03978	3.0
201.01796	0.8
205.05051	0.9
211.03938	0.6
212.04680	0.5
213.05510	0.4
215.03421	0.3
217.04936	1.2
226.90492	0.3
229.05005	0.7
239.03172	0.4
241.04976	1.2
243.02921	0.7
256.03754	0.4
257.04538	0.6
284.03256	14.3
285.04019	100.0
286.04385	6.3
299.05594	32.3
299.09131	0.8
300.05881	2.2
316.38293	0.3
395.09854	0.7
471.09067	0.5
489.10303	0.7
541.17957	0.3
581.30469	0.3
653.14294	0.6
695.16107	28.1
696.16565	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	739.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.2
59.01257	1.1
61.98722	0.2
63.02276	1.8
65.00197	1.2
71.01258	1.2
71.36451	0.4
73.50935	0.2
83.01254	0.7
85.02814	0.4
89.02328	0.8
91.70822	0.2
93.03289	0.3
96.95913	0.3
97.40118	0.2
99.00780	0.2
101.02335	0.3
105.03353	0.8
107.01275	2.1
108.02040	0.4
109.02850	1.4
119.01293	0.3
121.02843	1.1
125.02322	0.3
132.02066	0.3
133.01834	0.4
133.02846	7.1
133.04950	2.4
134.03549	0.3
135.04349	0.4
137.02368	0.3
143.04980	0.4
147.04333	0.3
148.01537	0.4
149.02345	2.8
151.00267	4.5
151.01465	0.3
151.03912	0.3
152.01082	0.5
153.01874	0.2
159.04424	0.4
161.02386	0.4
164.04663	0.6
171.04427	0.5
173.02361	0.2
174.03114	0.4
175.00296	2.4
175.03915	2.6
176.01079	1.2
177.01869	0.6
183.74297	0.2
185.06012	0.7
187.03897	0.2
189.05452	0.4
190.02661	4.0
191.03381	1.3
193.04982	0.3
196.05077	0.3
197.05977	0.3
198.03214	0.4
199.03923	2.6
201.01888	0.9
205.05003	1.9
209.11838	0.5
211.03946	0.6
213.05481	0.8
215.03461	0.6
217.05038	1.1
223.06081	0.5
227.03627	0.3
229.05135	0.4
231.55663	0.2
239.03368	0.4
240.04276	0.3
241.05063	0.8
243.02995	0.7
255.02971	0.4
256.03806	0.6
257.04492	0.6
267.02982	0.6
284.03259	14.6
285.04041	100.0
286.04382	5.5
299.05612	31.7
300.05933	1.9
338.08105	0.4
353.10281	1.4
395.09897	0.9
471.09286	0.6
489.10471	0.9
653.14893	0.6
695.16187	30.6
696.16394	3.9
739.32452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	2.0
57.03319	4.2
58.46488	1.9
59.01247	26.0
61.98703	33.2
69.03342	2.0
71.01250	20.5
71.58184	3.0
72.01628	1.6
73.02819	6.5
75.00747	1.9
78.91799	2.2
78.95805	2.4
83.01263	4.7
85.02808	10.2
87.00745	7.3
89.02312	6.1
93.03307	2.3
95.01232	2.6
96.95891	10.9
97.02824	1.8
97.06519	3.0
101.02318	12.1
107.20556	1.6
111.00718	2.2
113.02319	7.6
122.06007	4.5
123.04417	1.8
123.08028	3.5
125.02341	7.6
125.09608	29.1
137.02408	2.3
145.04948	2.5
151.03941	3.1
152.99550	3.0
161.04411	2.7
171.10175	2.6
175.04019	2.5
191.05643	2.3
209.11755	11.7
211.13348	7.7
230.15517	3.3
233.11472	2.0
234.82455	1.9
243.06387	2.1
244.17027	22.0
270.18668	17.6
285.04010	2.4
289.07233	4.1
296.16647	1.9
314.17673	5.5
352.26422	3.6
370.27518	6.7
378.28064	2.3
396.25159	5.6
396.29636	3.5
409.22604	2.0
414.26450	7.3
422.26892	4.1
432.27661	8.4
433.27490	2.0
440.28079	8.3
455.15283	1.8
458.29169	12.7
467.95181	1.9
476.30258	4.2
694.34454	37.5
695.35150	2.7
720.35901	2.4
738.37097	100.0
739.37396	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	738.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.1
60.01596	0.2
61.98700	100.0
68.21355	0.2
71.01248	1.2
72.01597	0.2
72.29836	0.1
73.01672	0.2
73.02827	0.3
80.02554	0.2
83.04889	0.4
85.02843	0.3
86.82397	0.2
87.00742	0.3
89.02312	1.0
101.02310	1.3
102.02715	0.2
113.02374	0.3
119.03405	0.4
125.02383	0.3
161.04483	0.3
161.21591	0.2
163.11270	0.3
165.12775	0.2
171.10281	0.2
179.05608	0.2
195.14009	0.2
197.11641	0.2
207.10283	0.2
209.11755	6.3
210.12209	0.2
211.13354	2.3
225.11194	0.2
227.12859	1.1
235.08212	0.5
253.09196	1.3
275.20319	0.3
277.21707	1.6
278.22073	1.5
279.22430	1.0
280.22903	0.3
291.19727	0.8
292.19980	0.2
293.21207	3.3
294.21603	0.2
309.20642	0.9
397.13672	0.6
398.13861	1.2
399.13989	1.6
400.14371	0.8
416.14978	0.4
417.15146	0.8
418.15637	0.3
539.44543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84883	0.8
55.87862	0.8
59.01244	9.1
59.40034	0.9
61.98697	19.7
66.63107	0.7
67.38926	0.8
71.01252	5.8
71.07090	2.4
73.02800	1.9
78.95765	3.8
79.95600	3.7
80.96379	0.8
83.01252	1.7
85.02812	3.0
87.00718	1.6
89.02293	2.4
93.03346	0.8
95.01237	1.0
96.95883	100.0
96.96865	3.2
97.95825	2.2
98.02348	3.0
98.95461	5.1
98.96286	0.8
99.00741	1.9
101.02318	3.8
105.20668	0.8
107.27103	0.9
109.02812	1.2
109.06424	0.8
113.02296	3.5
123.08008	1.2
125.02303	1.3
125.09618	6.0
132.54478	0.8
133.02823	0.9
135.04318	0.9
137.02354	1.3
145.02837	1.2
145.04861	1.0
145.27165	0.9
149.02299	1.6
151.03795	1.3
152.01070	1.0
153.01796	1.2
171.10146	2.0
190.02553	1.4
195.53333	0.8
209.11667	4.7
210.11969	1.5
211.13312	3.8
212.13504	1.2
223.05965	1.2
235.08102	2.5
235.89243	0.8
244.17050	3.6
269.04526	1.7
270.18604	4.0
284.03049	1.3
285.03992	3.4
289.07111	0.9
291.19376	0.9
292.20111	1.0
294.21530	1.0
314.17624	1.6
389.22052	1.0
396.25525	2.1
414.26395	1.8
415.14261	1.2
422.27081	1.2
432.27219	1.7
440.28134	2.5
458.29065	3.4
609.97235	1.0
676.37061	1.8
694.33905	8.3
695.23627	1.2
695.36682	1.1
720.35858	1.3
738.36993	16.4
739.36475	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	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	1.2
58.00453	0.9
59.01244	9.7
61.98691	2.8
65.30046	0.8
69.03333	4.3
71.01250	6.5
71.04887	1.8
71.21232	1.1
72.99157	1.0
73.02808	1.5
85.02800	1.1
85.37744	0.9
87.00720	1.4
89.02304	3.6
95.04914	1.0
101.02308	3.7
113.02315	2.8
125.09608	2.2
132.58430	0.9
136.55855	0.9
149.09467	0.8
151.11166	2.4
153.12733	2.7
161.09598	2.2
169.12239	5.1
179.10689	7.3
197.11748	98.4
198.12105	5.0
198.48100	0.9
205.08623	1.4
207.10106	1.1
223.09662	3.9
223.11626	0.9
235.08011	1.3
241.10632	4.4
253.09206	3.8
277.21704	44.5
278.22070	3.4
477.19586	3.2
661.22363	1.0
719.40839	1.4
737.41107	100.0
738.41418	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	738.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.8
60.01577	0.3
61.01678	0.1
61.98699	100.0
71.01250	1.3
71.34608	0.3
72.01607	0.1
73.01649	0.2
73.02826	0.3
83.01282	0.2
85.02827	0.3
87.00746	0.3
89.02305	1.0
90.02642	0.2
91.02730	0.1
95.01218	0.1
97.02871	0.2
101.02330	1.0
102.02651	0.1
106.60390	0.1
107.59081	0.1
113.02353	0.5
119.03390	0.3
125.02328	0.3
143.03485	0.1
161.04485	0.2
165.62164	0.1
173.07442	0.1
209.11740	0.5
211.13309	0.6
221.06477	0.1
227.12813	0.2
235.08185	0.4
236.08551	0.2
253.09305	0.2
271.79529	0.1
275.20209	0.1
277.21719	1.3
278.22119	1.5
279.22327	1.0
280.22687	0.3
289.18295	0.2
291.19678	0.1
293.21307	0.3
304.81992	0.1
309.20731	0.2
397.13403	0.9
398.13803	1.3
399.14023	1.9
400.14212	0.8
401.80142	0.1
415.14828	0.2
416.15005	0.3
417.15106	0.8
418.15094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76958	0.5
55.01760	0.8
57.03320	0.9
59.01246	8.2
61.98695	5.7
69.03326	5.4
70.28990	0.6
70.87216	1.2
71.01250	6.6
71.04871	1.1
73.02805	1.3
73.03176	0.5
75.00738	0.6
78.95757	0.7
83.01237	0.8
83.04883	0.7
83.86506	0.5
85.02805	1.1
87.00738	1.5
89.02312	3.6
90.67278	0.5
95.01284	0.6
97.02811	1.0
97.06459	1.3
99.00738	0.6
101.02307	4.2
109.06452	0.7
113.02295	2.4
119.03366	0.9
123.08012	1.7
125.09597	2.2
126.60612	0.6
137.09616	0.7
151.11183	2.6
153.12755	1.3
161.04437	1.4
161.09642	4.4
169.12175	1.9
170.26294	0.6
171.10179	0.7
179.10698	9.6
195.41446	0.7
197.11751	53.6
198.12071	2.3
205.08775	0.8
205.49886	0.6
207.10168	0.8
209.11623	0.8
223.09674	1.7
233.22528	0.6
235.08121	1.7
241.10785	1.9
253.09178	3.1
277.21701	68.8
278.22012	5.8
310.20984	0.6
331.52414	0.6
459.18607	1.1
477.19724	1.3
614.44916	0.8
737.41101	100.0
738.41498	20.6
738.52039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.9
59.01240	24.6
59.92021	2.5
61.98698	100.0
62.51981	2.2
66.95657	2.5
71.01232	12.7
72.99197	3.2
73.02803	4.0
78.95778	5.9
79.95605	5.6
80.96380	10.5
83.04885	2.5
85.02840	4.9
87.00732	4.5
89.02293	2.8
93.03325	2.6
94.97976	3.0
95.01279	3.0
96.95892	28.3
100.52560	2.7
101.02327	8.7
108.40870	2.8
111.00813	2.4
113.02317	3.9
121.02857	3.4
123.30606	2.5
125.02308	3.1
137.02290	2.5
161.04483	3.1
171.10179	4.9
175.02380	2.9
197.11809	15.1
209.11768	44.6
210.12173	3.1
211.13269	18.1
222.22383	2.3
223.13365	11.1
227.12785	6.0
235.08167	3.0
253.09299	5.3
277.21335	3.2
289.18060	6.0
291.19650	11.1
309.20697	9.2
651.31610	2.8
719.38867	3.2
737.35675	48.9
738.36444	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	737.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	3.2
59.01249	29.7
61.50709	1.8
61.98700	47.6
65.18509	1.6
69.03336	2.7
70.45493	2.5
70.45844	5.9
71.01239	19.0
72.99176	4.8
73.02819	5.4
75.00737	2.9
78.95747	2.1
80.94997	1.7
80.96407	3.0
83.01281	2.5
83.04873	3.0
85.02830	7.3
87.00761	5.1
89.02296	8.2
91.01829	1.7
91.50130	1.6
93.03325	6.2
95.01256	4.2
96.95880	7.7
97.02863	1.8
98.19853	1.9
99.00737	4.3
101.02319	10.0
108.02072	2.2
109.02826	4.5
113.02353	9.5
119.03413	2.3
121.02863	2.5
125.02344	6.5
131.55470	1.8
132.02078	2.3
132.14853	1.9
132.74467	1.6
133.02881	2.5
133.04910	1.9
134.03600	6.2
135.00818	2.7
135.04390	4.0
137.02345	8.1
145.08618	2.4
149.02342	10.3
151.00154	2.3
151.03883	2.5
152.01123	3.8
153.01849	3.0
160.01553	5.3
161.02295	2.7
161.04404	3.2
163.03897	4.5
163.11200	4.0
164.04689	8.7
165.01843	1.6
165.05504	2.9
165.12779	2.4
169.12222	7.9
171.10205	6.2
175.03912	5.6
176.04610	1.7
178.02704	1.6
179.03343	2.8
179.64867	1.5
181.04901	2.5
187.11266	2.0
190.02612	6.8
190.89973	1.8
191.03259	1.8
191.05583	3.4
193.04990	5.0
195.06555	2.0
205.04979	7.2
207.10135	2.2
209.11752	100.0
210.12112	6.4
211.13396	1.9
223.05969	8.9
225.11243	4.4
227.12779	14.3
243.06609	3.5
244.06792	1.7
253.09312	6.9
279.62885	1.7
285.03955	6.5
300.66052	1.9
308.80954	1.9
353.59763	1.7
369.09689	2.4
607.90210	2.0
633.38715	4.9
651.39496	3.3
737.39276	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	735.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.0
59.01249	19.9
61.13675	0.7
69.31943	8.5
71.01254	6.8
73.02814	2.2
78.95766	1.0
81.03320	1.5
83.04870	0.8
85.02811	1.4
87.00768	2.4
89.02302	2.0
92.43560	0.8
95.04875	1.1
97.06433	2.2
98.20581	1.9
101.02303	5.6
106.04152	1.2
113.02319	3.3
116.97968	0.9
119.03401	1.1
121.10159	0.9
133.55370	0.8
145.04999	1.4
159.11671	1.6
161.04420	2.4
175.11063	1.0
177.12778	17.7
178.13094	1.1
195.13838	62.6
196.14130	2.8
221.11720	5.9
235.08177	2.6
239.12839	8.0
253.09250	6.3
277.21716	94.5
278.22034	7.7
291.19662	1.4
309.20688	2.6
455.35327	2.5
456.35623	4.0
457.20593	3.1
457.36133	1.4
475.21725	3.2
735.43256	100.0
736.43658	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	737.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.3
59.01253	2.6
59.57202	0.3
61.98703	6.5
69.03321	0.2
71.01251	1.5
71.59361	0.2
75.00764	0.3
78.95775	2.2
79.18479	0.2
79.95606	3.0
80.96389	1.2
85.02814	0.5
87.00727	0.4
88.93845	0.3
89.02334	0.5
94.84438	0.2
95.01266	0.3
96.95892	100.0
96.96883	3.2
97.95825	0.3
98.02343	0.3
99.00796	0.4
101.02335	0.9
108.02052	0.6
109.02823	0.3
111.08073	0.3
113.02340	0.5
124.10807	0.2
125.02310	0.4
125.09508	0.3
127.03986	0.3
134.03619	0.3
137.02281	0.3
148.50543	0.3
149.02345	0.5
152.01024	0.4
152.99574	0.3
161.04427	0.5
164.98558	0.3
169.12378	0.3
171.10150	0.5
190.02682	0.3
191.05453	0.3
193.05058	0.4
193.85202	0.2
197.11803	0.7
209.11746	2.2
210.12080	0.4
211.13312	0.8
222.45181	0.3
223.06067	0.3
225.00757	0.3
226.00992	0.2
227.12744	0.4
291.19647	0.4
308.10101	0.3
395.15082	0.4
423.97122	0.3
441.19495	0.4
465.14102	0.4
585.93262	0.3
734.38782	0.3
736.39825	0.3
737.29822	1.6
738.32397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4321
Annotation	Nonactin
Peak:m/z	Relative Intensity
53.21283	0.7
56.21464	0.9
59.00989	1.2
59.01258	15.3
61.98692	1.3
70.59786	1.6
70.60120	1.3
71.01248	10.0
73.02815	1.2
73.83887	0.8
76.95568	0.8
78.95751	1.0
81.03282	0.7
83.01243	1.3
83.04890	2.4
85.02829	1.8
87.00749	0.9
89.02309	4.4
95.04917	0.8
97.06480	1.4
101.02325	4.5
109.06439	1.0
113.02287	2.6
119.03439	1.3
145.04922	0.8
148.81053	0.8
159.11710	1.7
161.04489	2.0
171.10162	1.1
177.12766	12.4
178.13106	1.0
186.24095	0.8
195.13840	100.0
196.14195	5.7
197.80687	0.7
214.47580	0.8
221.11775	19.8
222.12148	1.6
235.04333	0.9
235.08170	4.2
237.14958	0.9
239.12846	14.5
240.13213	0.9
249.72952	0.9
250.23732	0.8
253.09323	8.0
255.23222	5.9
277.21719	54.8
278.21951	5.2
293.21072	0.9
457.20865	3.1
475.21793	9.3
708.03656	0.8
735.43262	83.2
736.43585	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	735.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.6
59.01249	5.4
61.98704	0.4
63.35163	0.3
69.03330	1.9
70.15148	1.6
71.01250	3.9
71.04872	0.8
73.02826	0.5
78.95773	0.4
83.01250	0.4
83.04908	0.4
85.02826	1.4
85.06458	0.4
87.00745	0.9
89.02325	2.7
90.05344	0.5
95.04933	0.5
97.06464	0.5
101.02324	3.3
109.06473	1.0
110.69484	0.3
111.08066	0.6
112.27895	0.3
113.02338	1.8
119.03362	0.5
132.24158	0.3
141.09155	0.4
145.04945	0.5
146.22603	0.3
149.09625	0.7
161.04465	1.3
167.10707	2.2
171.10176	0.5
177.12743	0.7
178.01355	0.3
179.05492	0.5
179.10672	0.6
179.14307	3.4
183.13872	0.4
187.11220	0.3
194.16653	0.4
195.13824	13.8
196.14310	0.8
205.12296	9.5
206.12595	0.6
209.11737	1.1
211.13391	1.0
221.11748	0.6
223.13335	100.0
224.13673	5.6
225.14876	0.5
231.21121	0.6
235.08153	3.8
239.12708	0.4
253.09245	16.3
254.09671	0.6
256.13092	0.8
275.20160	5.3
276.20514	0.4
277.21710	1.4
291.19675	0.6
292.20435	0.4
293.21207	85.6
294.21518	7.6
307.19275	0.4
397.13348	0.8
420.04172	0.4
441.21320	0.6
459.22305	11.0
460.22635	1.2
484.06189	0.4
492.22211	0.7
499.34470	1.0
529.30042	0.6
530.30310	0.5
539.78528	0.4
735.42108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79955	0.2
57.03311	1.0
59.01246	5.8
61.98680	0.3
63.04582	0.3
69.03329	2.3
70.34348	0.3
71.01247	4.0
71.04900	0.8
72.86048	0.3
73.02789	0.5
76.04588	0.2
78.95777	0.3
83.01242	0.5
83.04884	0.5
85.02808	1.0
85.06465	0.5
87.00749	1.1
89.02307	3.0
93.03284	0.4
95.01288	0.5
95.04910	0.5
97.06460	0.3
98.19732	0.4
99.00752	0.4
101.02313	3.3
109.06496	0.6
111.08035	0.6
113.02312	2.4
119.03371	0.8
120.84286	0.3
125.02308	0.3
125.09596	0.5
133.04890	0.3
135.11671	0.3
143.03378	0.5
145.05003	0.6
149.09618	0.6
161.04437	1.5
161.13313	0.3
167.10680	2.8
177.12759	0.9
179.05540	0.7
179.10693	1.1
179.14331	3.5
181.12192	0.3
194.21341	0.3
195.13837	15.8
196.14235	0.9
205.12256	9.2
206.12590	0.5
211.13318	0.6
221.11649	0.3
223.13338	100.0
224.11536	0.5
224.13670	6.2
225.14825	0.6
228.13637	0.3
229.76009	0.3
230.60255	0.3
235.08203	3.5
253.09250	17.5
254.09679	0.7
256.13107	0.8
265.21738	0.4
275.20172	5.0
276.20468	0.4
277.21686	1.0
279.26257	0.3
291.19467	0.3
293.21213	76.2
294.21552	6.5
397.13229	0.3
441.21512	0.3
459.22327	9.6
460.22534	1.1
492.22302	0.5
499.33887	0.7
529.30127	1.2
632.47284	0.3
735.42755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23341	1.8
59.01249	10.0
61.98699	100.0
66.97533	1.9
68.82198	2.7
70.33257	2.0
70.71578	5.8
71.01234	9.1
78.58331	2.3
78.91756	1.7
78.95775	2.3
83.63098	1.8
85.02827	2.6
87.00737	1.9
89.02351	4.5
90.27696	2.0
92.17023	2.2
93.72655	2.0
96.95841	3.3
101.02348	4.2
109.06478	4.4
125.02326	2.2
125.09579	2.9
130.38368	2.0
135.35318	2.2
147.84393	1.8
171.10168	9.1
172.91658	2.1
183.13670	2.3
185.11633	2.6
207.10231	6.1
209.11778	21.4
211.13345	20.6
212.13632	5.8
225.11345	4.9
231.71603	2.2
235.08287	2.7
253.09233	5.3
277.21872	2.5
289.17993	7.4
291.19720	6.6
307.19162	6.5
309.20670	3.7
457.76440	2.5
481.29419	3.9
499.30661	2.3
717.38049	3.7
735.38055	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	735.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72721	0.5
57.03305	0.7
59.01240	2.8
65.00189	1.0
67.01757	1.0
68.32180	0.5
69.45784	4.3
71.01247	2.1
72.78323	0.5
73.02801	0.7
78.92887	0.5
78.95802	0.5
83.01253	1.0
83.04936	0.5
85.02807	1.7
87.00753	1.0
89.02353	0.7
93.03327	6.5
96.95872	2.0
99.00736	0.6
107.01249	2.2
107.10041	0.5
108.37170	0.6
109.02801	0.7
111.04410	1.3
113.02338	1.0
121.02781	0.6
125.02287	1.1
132.02032	0.7
133.02840	11.5
134.03648	6.9
135.04384	2.5
137.02335	1.3
149.02367	2.4
149.05902	0.5
151.00273	4.0
155.03374	1.1
160.01535	1.7
161.02356	0.9
162.03127	5.0
163.03613	0.5
164.04697	0.6
173.04472	4.2
175.03925	3.4
177.01852	0.7
179.03415	1.0
190.02592	0.7
191.05539	9.4
193.05017	1.6
199.03947	1.9
201.01872	0.9
205.18597	0.5
217.04898	1.3
223.06183	0.8
241.04961	0.7
243.02979	0.8
259.83844	0.5
267.07193	0.5
269.04446	0.6
275.09256	15.9
276.09531	1.0
285.04022	100.0
286.04398	5.9
412.46109	0.6
449.14453	14.4
450.15088	1.3
735.33740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
59.01247	3.3
61.98698	3.5
65.00181	1.0
69.03346	0.5
69.73096	2.7
71.01251	2.7
73.02788	0.5
75.00740	0.9
77.60541	0.4
83.01270	0.6
83.04890	0.7
85.02833	1.4
87.00761	1.4
88.98660	0.5
89.02310	1.0
91.31068	0.5
91.31757	0.4
93.03374	0.8
96.95867	2.2
98.20502	1.0
99.00775	0.8
101.02322	1.6
107.01303	1.3
107.74461	0.4
108.02032	0.6
109.02860	1.1
111.08044	1.3
113.02338	1.6
120.01103	1.2
120.04672	0.4
125.02364	1.0
134.03630	1.2
135.04404	5.2
137.02348	1.0
145.02916	0.5
149.02322	1.1
151.00256	7.2
152.00986	0.5
153.01811	0.6
160.01486	0.9
161.02405	0.6
163.03867	0.5
165.05428	0.8
165.12753	20.8
166.13100	0.9
171.10216	0.7
175.00179	0.5
175.02534	0.6
175.03835	0.9
181.12219	0.6
183.13820	87.0
184.14177	3.6
190.02571	0.5
191.05518	0.6
191.10764	0.5
193.04973	1.4
205.04979	0.6
209.11795	7.2
211.13324	1.1
223.05934	0.7
227.12833	100.0
228.13147	4.9
253.09290	0.5
256.78226	0.4
267.07318	1.1
284.07068	0.5
285.04233	0.7
287.05643	7.9
358.64600	0.4
361.16763	0.6
522.74445	0.5
523.21741	0.8
529.45947	0.5
710.89935	0.5
733.36865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.5
58.00463	1.3
59.01249	45.9
60.01604	1.1
61.98697	8.8
64.15622	1.1
68.99693	1.6
69.03343	1.4
69.52326	3.6
69.52749	4.3
71.01246	17.5
72.99171	5.9
73.02821	1.8
73.48331	1.0
74.43458	1.1
75.00740	22.7
81.03328	1.3
83.04887	1.1
85.02818	23.8
87.00744	7.9
89.02306	3.1
95.01276	5.3
99.00764	14.3
103.00240	2.1
113.01611	1.8
113.02328	21.2
115.00221	2.0
117.01799	3.3
125.09602	2.3
127.11171	2.0
129.01836	1.3
163.11134	2.3
165.12823	1.5
171.10204	1.6
175.02405	3.6
192.29907	1.0
201.11237	18.4
209.09825	2.2
209.11746	23.1
227.12822	2.2
249.06061	2.1
255.23245	100.0
256.23553	6.7
289.18161	2.1
291.19693	2.4
307.19183	1.7
309.20627	2.5
344.60532	1.1
363.36755	1.4
430.02780	1.2
505.30151	3.1
689.41095	13.0
690.41919	2.3
715.42664	63.2
716.43109	8.6
733.43732	91.6
734.44177	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	733.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.4
59.01247	9.3
68.84555	0.8
69.03308	2.0
71.01259	3.8
71.04860	0.8
71.57742	1.1
71.58125	1.0
74.60091	0.9
77.25266	0.9
78.95743	0.9
83.04930	1.0
85.02785	1.2
87.00753	0.8
89.02319	2.6
101.02307	4.6
105.25377	0.8
109.06453	0.9
111.08028	9.2
113.02332	1.3
119.03382	1.4
135.11731	1.7
142.11121	1.0
149.09618	0.9
150.06801	0.9
162.82356	0.8
167.10663	4.9
169.33739	0.8
176.80573	0.9
177.12764	3.0
179.10681	2.5
179.14333	2.9
195.13808	14.5
196.14191	0.8
205.12268	6.6
206.12505	1.1
223.13335	89.8
224.13663	4.0
235.08168	3.9
247.20758	1.8
253.09225	8.6
273.18674	1.4
291.19644	100.0
292.19952	6.3
309.20456	1.5
327.51364	1.0
358.16339	0.9
441.20813	0.9
459.22198	9.0
479.31757	1.8
494.25449	0.9
527.28650	6.5
578.37946	1.0
689.39246	1.4
733.41364	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	733.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	8.0
61.98697	0.2
69.03333	0.4
70.72350	0.5
70.72723	0.4
71.01253	4.3
73.02796	0.3
79.27790	0.2
83.01264	0.4
83.04918	0.4
85.02851	0.4
87.00750	0.5
89.02297	1.0
98.20399	0.2
99.00762	0.3
101.02317	2.1
109.06491	0.6
113.02335	0.9
137.09598	0.3
145.04993	0.4
147.38879	0.2
161.04445	0.9
163.11171	0.5
165.12790	0.4
167.14293	0.5
171.10150	0.3
176.16318	0.2
179.05566	0.3
183.13837	6.7
184.14197	0.3
193.12244	1.8
199.09692	0.6
199.13333	0.2
207.10237	1.9
209.11804	1.3
211.13335	100.0
212.13683	4.8
214.52963	0.3
225.11288	1.1
227.12726	1.0
235.08153	1.7
253.02052	0.2
253.09290	3.9
272.56009	0.2
383.22595	0.2
387.25314	0.5
401.23190	0.2
405.26630	0.4
429.21182	1.5
447.22351	9.1
448.22705	0.8
461.20218	0.4
623.34607	2.0
624.35114	0.3
637.32166	0.3
641.35376	1.3
655.33167	0.4
733.38397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93681	0.4
53.52597	0.4
59.01252	14.3
61.98707	0.9
69.67589	3.2
71.01250	19.0
73.02806	1.2
81.03311	0.5
82.31124	0.6
83.01247	0.6
83.04897	1.0
85.02824	1.1
87.00762	0.7
89.02308	2.0
97.02808	1.2
98.20531	0.7
101.02305	2.9
109.06463	4.3
113.02303	1.5
118.56840	0.4
119.03382	0.5
125.09608	0.7
135.08058	0.9
136.05234	0.5
145.04991	0.9
161.04439	1.1
163.11208	2.7
167.14261	0.7
171.10252	2.3
181.08379	0.6
181.12227	0.8
183.13829	7.2
184.14099	0.6
185.11711	0.8
185.16359	0.4
193.12270	2.6
199.09677	2.7
199.13254	1.4
201.11241	1.5
207.10178	12.0
208.10446	0.6
209.11760	7.7
211.13329	100.0
212.13687	5.4
225.11302	6.4
227.12863	4.9
232.92288	0.5
235.08157	3.0
253.09293	5.5
255.17226	0.6
339.22910	0.5
345.05908	0.5
350.42221	0.5
373.23715	0.6
383.22299	0.5
391.24860	0.9
401.23358	2.8
419.24417	1.0
429.21249	1.4
435.18121	0.5
447.22388	7.0
461.20322	2.3
472.21576	0.6
531.98285	0.5
618.09808	0.5
623.34406	0.8
629.85822	0.5
637.31982	3.1
641.35651	1.1
655.33832	2.3
733.38007	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91046	1.1
55.28040	1.4
59.01250	11.4
61.98688	2.2
71.01257	2.1
78.91756	7.0
78.95788	1.7
82.95264	1.7
125.02271	2.4
126.26711	1.4
142.44232	1.4
185.73392	1.3
211.13358	2.9
225.11426	1.3
229.50786	1.3
358.53046	1.5
427.13959	2.0
442.16583	2.7
453.12357	1.8
454.08951	1.9
455.17242	11.3
456.17889	2.3
457.18976	16.1
458.19272	3.5
459.16464	3.1
469.11462	3.7
473.18292	16.1
474.16260	3.2
481.11414	2.0
483.13062	3.7
485.18466	6.9
496.13739	8.8
497.14075	4.8
510.15759	1.9
511.16220	14.1
512.13110	21.8
513.13684	5.7
526.14978	16.6
527.15741	17.9
528.15985	5.6
529.17511	1.9
576.92236	1.4
583.18225	7.5
584.18384	2.7
597.19983	4.5
598.19879	1.8
599.21729	7.5
600.20215	2.2
603.00629	1.7
614.20160	100.0
615.20673	39.5
616.20593	2.5
645.22351	2.6
646.19299	16.8
647.19354	3.5
673.21210	4.4
733.23297	2.1
744.15485	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	733.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01237	10.7
59.01265	63.9
61.11580	14.3
61.98701	38.3
71.01263	89.0
72.99189	18.2
78.95776	22.0
80.96375	12.4
94.62012	14.7
109.06493	25.2
114.19880	12.7
163.11195	16.7
171.10173	75.7
189.39626	13.6
207.10194	42.0
209.11758	28.4
211.13345	100.0
223.69939	13.1
225.11253	38.3
227.12796	19.5
253.09032	14.5
269.13300	13.5
277.21536	13.3
289.18076	18.7
291.19849	14.9
413.05975	13.5
554.45789	13.9
733.36005	30.9
743.70270	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	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70928	0.2
59.01249	2.3
59.81662	0.2
61.98700	100.0
66.67789	0.2
71.01257	0.4
72.07016	0.2
75.00760	0.3
85.02782	0.2
89.02335	0.2
99.00754	0.5
113.39944	0.3
116.64808	0.2
171.10178	4.6
172.10522	2.9
173.10722	1.3
255.23302	0.9
277.21698	3.6
278.22083	5.0
279.22409	2.4
280.22684	0.7
634.24884	0.3
708.09283	0.2
731.42346	0.6
747.74475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.2
59.01256	1.4
61.98703	1.0
63.02262	1.1
65.00188	0.8
67.96700	0.1
69.25317	1.6
70.35210	0.2
71.01256	0.8
72.99210	0.2
73.02834	0.3
75.00755	0.2
83.01261	0.7
85.02814	0.6
87.00763	0.3
88.98708	0.2
89.02322	0.2
91.90678	0.1
93.03334	0.3
95.01267	0.2
95.04903	0.1
96.95896	0.9
99.00815	0.2
101.02332	0.6
105.03339	0.4
107.01267	1.6
108.02060	0.4
109.02831	0.8
113.02344	0.6
121.02843	0.7
123.04362	0.2
125.02322	0.4
133.02859	4.4
134.03633	0.6
135.04434	0.5
137.02312	0.4
145.02948	0.2
147.04442	0.3
149.02345	1.8
150.03073	0.3
151.00278	3.2
151.03908	0.3
151.07544	0.2
152.00943	0.2
153.01868	0.3
160.01543	0.2
161.02318	0.3
163.03845	0.3
164.04654	0.3
165.05469	0.3
165.12758	0.2
168.00589	0.1
169.01346	0.3
171.04410	0.3
171.10257	0.2
173.05952	0.2
174.03128	0.3
175.00365	0.2
175.03928	2.1
177.01874	0.4
181.05045	0.2
183.13884	0.4
185.06020	0.4
187.03969	0.2
189.05505	0.2
190.02618	0.6
191.03348	0.2
191.05498	0.2
193.04994	0.3
195.06505	0.2
197.06078	0.2
198.03163	0.2
199.03932	1.9
200.04555	0.2
201.01883	0.7
205.04994	0.6
209.11835	0.3
211.03941	0.5
212.04726	0.2
213.05536	0.4
215.03497	0.2
217.04997	1.0
223.06154	0.5
227.03416	0.6
229.05074	0.2
239.03575	0.4
241.05112	0.8
243.02971	0.7
255.02954	0.7
256.03778	1.3
257.04550	0.5
267.02905	0.4
269.04483	0.4
279.12039	0.2
283.02487	0.4
284.03265	15.9
285.04034	100.0
286.04370	7.0
297.03937	0.3
299.05713	0.2
299.29465	0.1
301.03674	0.2
327.05167	0.5
350.58502	0.2
359.07614	0.3
447.09238	0.8
639.20978	1.4
657.22217	0.8
658.22028	0.2
731.25525	27.4
732.25854	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	730.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49288	0.2
59.01249	1.9
59.08366	0.2
60.01563	0.2
61.01669	0.3
61.98697	100.0
71.01241	0.5
77.19911	0.2
85.02794	0.2
89.02258	0.3
99.00708	0.2
104.81878	0.2
113.02322	0.3
125.36477	0.2
139.59392	0.2
164.16907	0.2
171.10161	8.9
171.11636	0.5
172.10518	5.6
173.10683	2.0
174.10950	0.6
183.18982	0.2
201.11078	0.2
229.48091	0.3
253.09232	0.4
254.09538	0.3
255.23338	0.9
277.21710	2.6
278.22009	3.1
279.22296	1.7
280.22607	0.6
435.56775	0.2
597.28516	0.2
713.40796	0.4
731.42096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.2
59.01249	100.0
60.01563	2.5
61.98716	8.1
63.12285	1.5
69.03312	1.9
69.76146	8.5
70.52241	1.4
71.01248	22.9
72.99178	2.8
73.02822	5.5
75.00750	4.3
78.95786	3.8
83.01225	3.8
85.02843	11.6
87.00756	2.6
89.02314	8.0
93.03353	4.5
95.01256	2.6
96.95895	10.7
98.19791	2.8
98.95464	1.7
99.00744	3.5
101.02298	13.0
108.02102	2.4
109.02811	6.8
113.02331	11.8
119.04909	2.7
121.02823	5.9
123.04402	1.7
125.02315	5.0
134.03638	3.8
134.53348	1.7
135.04448	2.9
137.02342	6.0
138.02870	1.6
149.02356	13.5
149.05992	2.1
150.03036	2.7
151.03896	3.3
151.07518	1.4
152.01073	3.0
153.01814	6.0
160.01564	3.3
161.02374	3.1
161.04451	6.0
163.03915	4.4
164.04692	13.2
165.01942	1.9
165.05161	3.5
165.12793	1.8
167.07031	2.1
171.10126	1.9
175.00287	6.6
175.03854	2.8
183.13771	2.3
190.02632	12.7
191.02925	3.8
191.05501	2.0
192.03230	2.8
193.04951	3.2
199.26440	1.5
205.05000	13.7
206.05330	2.5
209.11742	7.0
211.13341	3.4
223.06097	15.4
224.06355	3.5
225.11264	2.0
247.09119	1.7
253.09259	1.5
258.69635	1.8
269.04446	4.0
285.03989	7.8
286.04333	2.9
313.62076	1.6
315.17941	7.2
327.21600	1.7
357.19336	1.9
469.48694	1.7
523.29114	7.5
729.40753	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	729.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88280	0.4
57.03327	1.2
59.01242	6.1
61.98695	1.6
65.00193	0.7
68.99702	0.6
69.03312	1.0
69.33989	3.6
69.34415	0.9
71.01254	7.5
73.02787	1.1
74.03725	0.5
75.00753	0.9
79.84727	0.4
83.01265	1.2
85.02822	2.7
87.00748	1.4
89.02319	1.6
91.01773	1.4
91.05362	0.5
93.03317	3.2
94.03681	0.4
95.01260	0.9
96.95894	2.3
97.02859	0.8
98.19738	0.9
99.00778	0.9
99.13028	0.5
99.53346	0.5
101.02328	1.8
107.04912	0.4
108.02052	1.5
109.02852	2.4
111.00754	0.8
113.02322	2.6
117.03332	0.9
119.01266	5.2
119.03328	0.5
119.04918	1.9
121.02843	14.9
122.03635	1.4
123.00753	0.9
123.04414	2.1
125.02332	3.4
129.01817	0.4
132.02007	2.4
133.02849	0.9
134.03610	3.7
135.04425	3.0
136.01553	1.8
137.02321	3.9
137.05957	0.5
139.00159	0.5
145.02925	1.3
147.00774	3.4
147.04416	5.6
149.02339	69.1
149.05974	1.5
150.02933	3.2
151.00284	0.7
151.03877	2.0
152.01053	3.4
153.01846	2.6
160.01614	1.3
161.02339	1.6
161.04468	0.5
161.05966	1.0
162.03142	0.8
163.03922	3.1
164.04695	53.5
165.01837	1.9
165.05406	4.0
167.03407	3.8
169.05002	0.9
173.04440	1.0
175.00275	23.2
175.03738	2.4
176.01033	3.5
177.01839	0.9
177.05571	0.5
178.02666	1.3
179.03413	1.2
179.07053	4.8
180.04295	0.5
181.04887	0.8
189.01888	0.6
190.02631	47.2
191.03152	3.2
191.05565	0.6
193.01337	1.7
193.05014	4.4
205.04991	41.0
206.05353	2.0
208.03729	4.6
209.04408	1.3
223.06055	100.0
224.06416	4.9
268.43008	0.5
269.04526	0.5
271.02533	0.5
284.03101	0.9
285.03970	2.2
315.07358	0.6
328.13150	0.8
343.15512	1.0
357.13483	0.7
361.16629	3.6
385.12857	1.9
391.13950	0.7
442.33096	0.5
505.20795	8.2
506.21173	0.8
523.22137	0.8
549.20789	0.6
729.27563	26.5
730.28070	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	728.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	11.4
66.47754	6.0
70.87389	16.1
71.01245	14.0
85.02805	9.7
87.00732	7.5
87.92402	23.0
93.03312	14.0
103.91904	100.0
104.92689	50.8
106.94302	5.8
108.02057	12.2
111.04367	6.1
117.03349	25.9
119.04910	42.3
121.02859	12.1
123.94547	27.0
125.70029	8.1
130.94275	12.7
134.03604	8.3
143.04750	7.2
150.56619	6.5
156.95761	16.8
158.93767	49.7
163.03860	31.2
173.96098	14.6
180.95952	6.5
181.35065	8.3
184.95401	10.7
190.97951	8.2
191.05522	35.7
198.96919	7.8
199.97723	11.6
206.97501	10.7
211.07530	13.1
226.96353	7.9
232.99129	8.6
233.98250	12.6
234.96970	8.3
235.07558	21.2
236.08430	19.9
237.09122	70.2
293.02646	26.7
298.68195	7.0
303.98920	14.3
309.02017	15.9
324.00836	15.8
325.01498	10.5
326.02435	8.3
329.00806	6.5
352.04056	17.8
363.02615	7.0
377.05609	7.4
379.03015	6.8
390.02521	34.0
391.01340	7.9
398.00946	13.1
399.01611	13.1
408.01688	8.8
422.99734	10.2
482.06653	73.2
483.06937	8.0
528.06812	8.5
537.07227	11.2
542.04999	11.6
554.04926	8.2
555.05853	21.5
572.06268	39.1
573.06714	18.0
587.04462	11.1
666.10834	12.1
682.09869	11.7
684.11670	13.0
716.10791	14.4
728.10413	38.8
728.21808	9.2
729.10712	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07162	1.3
59.01251	49.3
61.48818	1.2
69.01192	1.1
70.60139	2.3
70.60541	2.7
71.01257	7.1
73.02814	2.3
82.95279	6.9
83.02383	2.7
84.94995	8.2
85.02814	2.3
87.00730	2.0
89.02316	3.7
91.43069	1.2
91.73000	1.2
101.02297	6.7
113.02323	2.0
114.42722	1.3
119.03362	1.9
121.14354	1.3
125.09524	1.3
144.65738	1.3
151.11169	5.7
165.98602	1.4
169.12253	34.4
170.12512	1.7
171.10184	60.5
172.10574	1.8
190.72664	1.3
213.11310	1.4
235.08203	3.7
253.09189	6.4
269.24896	6.5
277.21716	76.8
278.22028	8.1
298.92267	1.3
397.13181	7.8
415.14716	3.1
482.15097	3.0
544.79102	1.4
544.86841	1.6
556.19318	5.1
557.19214	2.0
642.22375	2.6
643.23395	1.6
675.22803	2.9
709.41327	5.7
727.42706	100.0
728.43256	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	727.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56931	0.8
57.03305	0.9
59.01249	43.1
60.01596	1.0
61.98698	1.0
70.30878	0.8
71.01250	5.6
71.57939	1.4
73.02814	0.9
78.95766	1.1
83.01242	1.2
85.02760	1.5
89.02304	3.0
97.06426	1.2
101.02322	4.2
112.17191	0.9
113.02325	2.2
119.03336	1.5
125.09602	1.2
127.11182	2.3
151.11197	4.6
161.04439	1.3
164.31081	0.8
169.12253	39.1
170.12561	1.8
171.10176	100.0
172.10529	4.3
173.74463	0.8
186.55754	1.0
195.10112	1.0
198.34029	0.8
199.09634	1.0
213.11276	3.8
214.02715	0.8
231.12251	4.3
235.08215	1.3
253.09175	5.0
277.21732	34.2
278.22180	4.0
303.68393	0.9
407.18924	2.3
449.20322	2.0
467.21289	4.9
481.25467	0.9
489.39673	0.9
601.26770	0.9
655.95966	1.0
709.41614	4.0
727.42688	96.4
728.42938	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	727.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
57.32062	0.5
59.01246	11.5
61.98693	2.7
65.00198	0.8
67.01742	0.6
69.03328	1.3
69.99554	3.0
71.01249	11.8
72.99175	1.1
73.02817	3.0
75.00734	1.5
75.52929	0.5
76.51714	0.5
81.03327	0.6
83.01249	1.9
85.02816	5.6
87.00749	1.9
89.02299	3.3
91.01753	2.6
91.05401	0.8
93.03317	3.5
95.01246	1.6
96.95876	3.1
97.02823	0.8
98.20445	0.7
99.00729	1.8
101.02323	5.2
104.03458	0.5
107.04859	0.8
108.02055	2.3
109.02827	2.1
111.00748	0.6
113.02338	6.1
115.00285	0.5
117.03358	1.1
119.01256	5.2
119.03388	0.9
119.04903	2.1
121.02834	11.2
123.00774	0.8
123.04399	0.9
125.02300	3.5
129.01828	0.6
132.02049	2.3
133.02849	0.7
134.03624	5.2
135.04407	4.4
136.05194	0.8
137.02350	3.0
137.09589	0.5
139.03850	0.8
141.04057	0.7
143.03413	0.6
145.02834	0.7
147.00793	4.0
147.04408	5.4
149.02339	61.9
149.99475	2.4
150.02881	2.7
151.00267	2.1
151.03886	2.0
151.05116	0.5
151.07565	0.5
152.01003	3.2
153.01817	2.3
160.01534	2.3
161.02255	0.9
161.04413	1.4
162.03098	1.1
163.03879	3.8
163.07492	0.7
164.04695	66.7
165.01846	2.5
165.05206	2.7
165.09093	0.5
167.03394	0.8
168.00581	0.6
169.01227	0.7
169.04958	0.6
171.10223	0.9
173.04483	0.6
174.03304	0.6
175.00273	36.9
175.03717	2.7
176.00830	1.5
177.01872	2.1
177.05525	0.6
179.03413	0.9
179.05597	1.0
179.07010	6.0
183.13788	0.9
189.01933	1.2
190.02632	90.8
191.03098	4.9
191.05554	1.0
193.01349	1.1
193.04948	3.1
195.06624	0.8
201.11208	1.3
205.04991	69.4
206.05370	2.5
207.02965	1.1
208.03760	0.9
209.04465	1.4
209.11734	5.9
223.06056	89.4
224.06441	3.5
227.12794	2.7
229.17941	0.7
235.06032	0.8
241.04924	0.6
247.05998	0.8
253.09238	1.0
269.04611	0.8
285.04025	2.6
300.03052	0.7
309.07574	0.7
313.05792	3.5
355.06558	0.6
359.28049	0.8
373.26044	0.6
391.22717	0.5
479.33237	0.8
493.16422	0.6
503.32190	1.3
521.33344	1.2
619.14966	0.7
623.36328	1.7
641.37500	2.0
683.37994	1.1
727.39069	100.0
728.26361	0.9
728.39404	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	727.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10692	5.8
59.01249	67.0
61.98695	16.0
71.01231	38.9
72.99173	6.0
73.02824	12.0
83.04884	10.1
85.02824	13.1
87.00750	30.6
89.02312	16.6
96.95891	25.9
98.19759	19.6
99.00714	6.2
101.02317	21.7
113.02317	21.7
119.03387	8.6
119.04948	9.2
125.02304	7.9
134.03619	8.0
137.02405	6.0
137.82092	6.5
141.94386	6.2
157.51701	6.2
165.05452	5.9
165.12711	7.3
171.10199	14.9
183.13762	16.5
191.05479	7.2
191.91057	6.9
195.13965	6.8
197.11794	12.9
198.53455	6.9
199.09668	23.2
201.11284	31.2
207.10188	14.8
209.11769	37.4
211.13306	71.0
212.13583	6.7
215.89345	6.7
223.06012	6.9
225.11244	16.2
227.12729	17.5
235.08188	10.6
253.09181	11.0
268.03769	18.3
269.04523	100.0
270.04953	9.4
289.18167	12.2
293.21173	78.4
309.20837	8.1
359.27957	7.7
380.37759	7.4
397.13678	34.2
403.18283	6.7
415.14481	27.9
447.22662	7.7
600.70532	8.2
611.90265	6.6
655.32996	8.8
683.23291	11.3
691.35809	9.9
727.32996	60.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.2
55.25929	1.2
57.03316	8.6
58.00463	3.9
59.01247	100.0
61.98699	4.7
68.99682	1.3
69.03328	5.7
69.33354	12.4
71.01248	71.8
72.01562	1.4
72.99182	7.3
73.02818	17.6
75.00744	3.3
78.95773	2.2
81.03300	1.5
83.01260	13.8
85.02814	33.6
85.99969	1.9
86.03181	1.4
87.00745	12.1
87.04393	1.4
88.98672	2.7
89.02312	28.2
91.01792	2.8
93.03339	4.0
95.01254	10.2
96.95904	7.1
97.02842	4.6
98.20515	2.4
99.00758	10.1
101.02309	42.0
102.02663	1.7
108.02050	4.7
109.02826	5.7
111.00781	5.0
112.01586	1.6
113.02323	37.6
117.03323	2.3
119.01304	2.8
119.03403	10.3
119.04910	5.6
121.02847	7.6
122.03649	2.4
123.00750	1.7
123.04434	2.4
124.01577	2.6
125.02343	15.7
129.01839	1.9
132.02045	3.2
133.02861	3.3
133.05043	1.5
134.03622	12.8
135.00783	2.1
135.04404	8.6
137.02321	7.7
139.00304	1.5
143.03386	7.1
145.02858	3.2
147.00822	2.0
147.04453	3.3
148.51263	1.2
149.02342	41.1
149.05971	2.8
149.99532	1.9
150.03043	5.3
151.00287	4.2
151.03873	2.5
152.01047	4.6
153.01825	8.3
154.97743	1.4
155.03345	1.7
159.02896	2.8
160.01547	10.3
160.05182	1.5
161.02324	2.9
161.04485	6.4
163.03880	6.8
164.04695	34.6
165.01863	3.1
165.05316	4.0
165.12758	1.7
167.03447	3.5
168.00558	3.4
171.10214	1.9
173.04539	1.4
175.00294	17.7
175.02530	3.4
175.03876	11.4
176.00836	2.1
176.04593	1.7
177.01952	3.1
177.05513	2.0
178.02658	3.2
179.03369	2.6
179.05594	2.5
179.07069	5.6
181.05031	2.3
190.02629	46.6
191.03218	4.1
191.05525	5.1
191.07118	2.6
193.04961	17.1
195.06618	2.0
205.03061	2.4
205.04977	37.9
205.06818	2.7
206.05621	3.8
207.02919	1.6
207.06532	1.6
208.03726	3.7
209.04315	1.9
209.11790	6.4
221.08192	2.9
223.06056	54.4
224.06375	3.4
227.12802	3.3
235.06110	3.9
237.07672	1.6
241.35182	1.5
243.06590	3.3
247.06009	3.1
265.07068	10.8
269.04382	1.5
273.07559	1.7
283.09848	4.3
284.03241	2.4
285.04056	3.9
295.08304	5.2
311.09180	7.7
315.07120	1.9
315.25336	2.6
317.26910	8.3
325.09097	6.8
326.11566	3.9
329.13843	1.8
331.06778	4.0
339.11526	1.3
341.10193	2.3
341.13931	4.9
367.10361	6.3
385.11627	2.0
421.57098	1.3
456.17682	1.2
461.31415	7.5
479.32254	15.6
480.32718	2.5
489.10385	1.5
521.33746	1.7
547.19696	2.0
551.29999	1.4
586.61786	1.4
587.34546	1.5
623.36389	90.1
624.36633	12.3
641.37482	70.4
642.37653	9.1
665.03613	1.7
667.40027	2.8
683.38519	27.1
684.39050	4.6
727.25769	6.5
727.38416	22.4
728.24628	2.0
728.38983	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	727.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94194	5.4
59.01244	80.8
61.98700	16.4
69.28808	66.4
71.01251	45.9
72.99168	10.9
73.02818	10.7
75.00731	7.8
82.41210	6.0
83.01247	8.7
85.02821	10.4
87.00751	9.3
89.02322	30.9
93.03300	6.9
96.95883	22.6
99.04369	5.9
101.02348	31.0
109.02847	7.4
111.00775	8.0
113.02325	27.3
115.84016	6.1
119.03359	8.9
125.02323	10.0
127.11216	5.9
137.02344	14.7
158.26782	5.7
161.04437	9.0
161.15953	5.4
164.04689	9.8
171.10185	25.8
179.05486	11.7
197.11870	9.7
199.09645	31.8
205.04921	6.8
209.11748	22.9
211.13290	53.9
222.51006	6.2
223.06065	9.0
225.11217	14.2
227.12877	7.1
235.08179	11.3
235.16940	7.8
239.30673	6.7
253.09218	19.9
264.78085	6.1
275.20154	10.9
293.21136	79.9
309.20844	10.4
397.13504	100.0
407.99268	6.9
408.75171	7.0
415.14581	48.3
435.18338	9.0
447.22202	7.2
498.27039	7.0
727.33057	75.8
728.34259	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	727.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31097	0.5
55.01769	1.3
55.44719	0.5
57.03327	5.2
58.00458	0.8
59.01250	18.6
61.98682	0.8
62.24270	0.5
63.33051	0.4
67.01761	1.3
68.99671	1.8
69.03323	2.8
70.99184	1.6
71.01252	27.6
72.99179	8.4
73.02813	2.0
75.00744	19.9
79.04589	0.5
81.03335	1.0
81.11107	0.5
83.01253	2.1
83.04890	1.3
85.02821	28.6
87.00747	11.2
89.02314	6.3
91.03893	0.9
93.03342	1.7
95.01268	5.9
96.95892	2.8
99.00753	15.8
101.02318	1.7
103.00237	1.7
108.02032	2.1
109.02834	1.3
110.15025	0.5
111.00760	1.5
111.04353	0.8
111.08064	2.7
112.01570	0.6
113.02328	29.1
114.02654	1.1
115.00264	3.9
117.01835	2.8
121.02869	0.8
129.01814	1.7
131.03305	1.2
133.02803	0.9
134.03612	0.8
135.04404	2.7
136.24745	0.7
137.02330	1.2
139.00278	1.0
143.03401	0.7
149.02322	1.0
149.04482	0.7
149.05971	0.7
150.03096	1.1
151.03931	0.8
152.01074	3.4
153.01744	1.7
155.03394	1.2
157.01309	1.0
161.02327	1.3
162.79819	0.7
164.04721	0.8
165.05457	0.9
165.12759	25.7
166.13042	1.2
171.10469	0.6
173.04483	1.5
175.02365	2.1
175.03795	0.7
179.03369	1.5
183.13826	60.2
184.14153	3.9
191.05518	1.1
191.10797	0.7
193.40047	0.6
205.07224	0.9
209.11736	2.9
210.12006	0.6
211.77888	0.5
215.73116	0.6
227.12822	6.3
231.05022	0.9
249.06111	10.2
267.07193	21.2
268.07291	0.6
301.16599	1.1
335.07855	0.8
343.11731	1.1
353.61691	0.7
415.19812	6.5
416.20047	1.4
459.18781	1.1
477.19772	1.7
551.23468	6.4
565.19702	1.4
665.25354	0.8
667.38690	0.9
709.25433	1.9
727.26569	100.0
728.26959	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	727.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.0
57.03309	2.0
59.01247	23.0
60.72123	0.7
61.33250	0.8
61.98680	1.1
63.05557	0.7
69.03311	2.6
70.47385	0.7
71.01253	16.0
71.57875	1.3
71.81902	0.7
72.99162	2.1
73.02795	2.7
75.00748	1.3
81.03311	1.0
83.01246	2.2
85.02812	8.4
87.00732	3.4
89.02320	8.0
93.03327	2.9
94.39801	0.8
95.01250	3.7
96.24559	0.7
96.95886	3.2
97.02812	1.2
98.18826	0.8
99.00777	0.9
101.02324	6.5
108.02053	42.3
109.02841	15.3
111.00741	1.2
111.04391	0.8
113.02328	5.4
119.03370	1.7
119.04884	3.4
121.02817	2.3
123.00826	1.7
123.04371	2.5
124.01582	1.3
125.02367	5.2
129.01839	1.2
133.02753	1.2
134.03615	3.6
135.02896	0.9
135.04376	3.3
136.01537	0.8
137.02354	2.4
143.03365	1.0
145.02853	2.2
149.02277	2.8
150.03091	1.6
151.00198	1.3
151.03941	4.6
152.01050	71.0
153.01849	14.6
155.03378	1.5
160.01584	1.6
161.02281	1.4
161.04460	2.1
161.13217	2.4
162.47536	0.8
163.03915	4.6
164.04773	1.4
165.01840	1.9
165.03812	0.8
165.05412	2.1
167.03305	1.3
173.04431	4.0
175.03860	2.0
177.01904	1.7
179.03398	2.8
181.04950	1.1
187.11148	1.9
190.02605	2.3
191.05502	2.1
192.45097	0.9
193.05020	5.6
195.06503	1.6
205.05032	1.7
205.12308	1.8
223.05974	3.2
279.34601	0.9
297.06055	4.6
315.07211	17.4
316.07230	1.0
319.08289	1.4
429.02951	0.8
503.18912	6.6
523.12433	0.9
547.17902	6.1
554.50415	0.9
563.17365	0.9
565.19275	12.3
566.19250	1.0
667.22412	1.4
667.38922	3.7
685.39807	2.1
691.18158	0.9
727.24438	100.0
728.24493	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	727.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.1
59.01249	24.2
61.98693	3.2
65.00179	1.5
68.99681	1.1
69.03320	2.0
69.25898	2.4
69.26296	10.4
69.30695	0.9
71.01247	18.0
72.99162	2.3
73.02802	4.7
75.00732	2.7
83.01257	3.0
83.04893	1.1
85.02819	11.5
87.00757	4.9
88.98652	1.9
89.02312	10.6
91.01742	2.6
93.03307	5.3
95.01254	3.2
96.95885	5.8
97.02804	1.3
99.00727	4.0
101.02322	11.3
107.04868	2.1
108.02061	2.6
109.02814	4.8
111.00746	1.6
113.02335	12.6
117.03279	1.4
119.01295	6.1
119.03362	3.4
119.04910	9.7
121.02100	1.1
121.02837	8.7
123.00755	1.2
123.04400	3.1
125.02344	6.5
129.01804	1.2
132.02058	3.5
133.02800	2.2
134.03639	20.2
135.02852	1.8
135.04424	7.2
137.02354	8.2
138.90401	1.2
145.02802	3.3
147.00728	4.4
147.04375	3.7
149.02361	20.7
149.05920	4.0
150.03197	6.5
151.00253	2.6
151.03831	3.3
152.00998	4.4
153.01872	7.6
159.04361	1.7
160.01530	10.6
161.02373	4.9
161.04453	1.9
161.05908	1.8
162.03108	1.9
163.03932	8.9
164.03439	1.4
164.04703	17.8
165.01782	2.8
165.05357	4.3
166.02528	1.1
167.03436	2.6
168.00478	3.0
173.04440	1.8
175.00294	35.0
175.02524	1.4
175.03856	11.1
175.07622	1.6
176.00815	2.7
176.04414	1.2
177.01826	3.5
177.05424	4.8
178.02573	1.7
179.03307	2.5
179.05605	1.5
179.07056	7.1
180.04111	1.2
181.04987	1.9
189.01846	1.2
190.02632	89.0
191.03188	6.8
191.05455	2.3
193.01321	1.7
193.03331	1.2
193.04990	17.1
195.06456	2.3
205.04994	100.0
206.05333	4.4
207.02802	3.3
208.03656	3.9
209.04495	1.9
217.04941	1.5
223.04080	2.1
223.06052	23.4
224.06517	1.4
240.04131	1.7
247.06065	1.9
249.05867	1.3
255.10303	1.6
267.06979	1.3
269.08133	11.6
271.09695	1.3
281.08176	1.5
283.09775	7.0
284.03192	2.4
285.03983	6.3
286.04459	1.8
296.10376	1.4
299.09109	10.6
311.09286	14.7
312.09836	1.5
314.11591	19.7
315.12299	2.6
325.10812	2.0
326.11581	11.2
329.13913	24.0
330.14301	1.2
337.05594	1.8
341.13797	8.1
352.07867	3.6
353.08505	1.9
355.10928	1.5
367.10312	87.9
368.10608	6.0
383.10916	2.4
389.12436	1.8
463.17017	1.6
477.06552	1.1
479.32056	2.3
623.36383	9.1
624.36572	1.6
641.37665	8.6
683.37994	2.1
688.17249	1.2
727.25616	46.7
727.35925	5.0
728.26129	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	727.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11199	1.1
55.01754	2.5
57.03331	5.4
58.62580	1.1
59.01232	4.4
64.27583	1.0
71.01247	5.5
72.99207	1.5
75.00729	1.7
83.01247	5.1
85.02820	37.0
87.00744	5.9
97.02796	1.3
101.02306	4.1
111.00755	19.6
113.02359	1.5
122.86057	1.2
129.01811	11.1
132.24734	1.0
132.58531	1.1
135.04425	2.6
135.74162	1.2
147.02879	3.1
152.33147	1.1
175.02304	2.7
179.03433	1.7
191.05490	1.5
191.74449	1.1
198.78433	1.1
199.02553	1.3
205.03459	22.4
223.04527	100.0
224.04901	3.1
343.61923	1.1
385.07416	6.0
432.67142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	2.2
59.01249	11.2
60.56805	1.1
61.98695	2.0
71.01253	7.6
71.57795	2.0
73.02840	1.0
75.47179	1.0
81.03356	1.1
83.04906	2.4
85.02814	1.7
87.00726	1.5
89.02300	4.0
95.04893	2.2
96.95901	1.7
97.06464	3.8
101.02322	4.6
106.28334	1.1
113.02281	2.4
150.49556	1.2
151.11185	15.0
161.04433	1.4
169.12250	100.0
170.12563	4.7
171.10185	2.0
195.10223	2.2
195.13785	2.7
197.11766	2.9
209.11841	2.6
213.11226	12.0
223.13370	2.2
231.11081	1.3
235.08133	1.7
240.86726	1.2
253.09271	3.5
269.75278	1.1
293.21307	12.2
397.13657	1.4
430.88416	1.2
431.19260	1.5
449.20273	7.4
672.40643	1.3
725.41119	92.4
726.41333	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	725.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.8
59.01245	13.5
61.98700	1.1
65.32001	0.5
69.03324	2.3
71.01243	4.7
71.04881	1.0
72.99161	0.7
73.02834	1.3
74.18563	0.5
83.01254	1.1
83.04887	1.0
85.02828	1.0
85.06464	0.6
87.00751	1.2
89.02306	3.9
91.73901	0.4
93.03341	0.4
95.01252	0.7
96.95868	1.0
97.02829	1.3
98.72827	0.4
101.02316	4.3
106.31852	0.5
109.06475	1.1
111.00687	0.5
111.08040	3.0
113.02327	2.5
119.03397	0.9
123.08057	0.6
125.02263	0.6
145.04973	0.8
149.09593	0.9
153.09088	0.9
153.12730	1.3
161.04445	1.7
163.11110	0.6
167.10652	3.0
169.12225	7.2
171.10133	0.9
179.05510	0.9
179.10672	2.1
179.14316	2.6
185.11761	1.0
195.13829	7.5
197.11748	100.0
198.12112	4.7
199.13300	1.1
205.12270	7.8
209.11703	1.6
211.13315	4.4
212.13680	0.8
213.11179	0.5
223.13324	76.9
224.13676	4.5
227.12813	1.1
235.08188	4.8
247.20680	0.7
253.09264	12.8
263.20206	1.0
265.53925	0.5
291.19675	11.9
292.20065	0.9
309.20670	27.1
310.20883	2.8
425.74713	0.6
433.20786	3.5
441.21198	1.5
459.22253	9.3
460.22556	1.6
498.40869	0.5
647.34222	1.3
664.15704	0.7
665.34808	1.2
725.41150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34383	5.5
51.40393	5.3
59.01251	45.4
61.98699	12.5
62.12543	6.1
69.03315	7.1
69.99680	34.7
71.01255	15.9
82.95276	5.9
87.00742	16.7
89.02339	8.7
96.95884	32.8
101.02311	8.6
111.00831	7.1
113.02312	7.6
114.78149	7.5
128.84911	6.7
140.94981	6.8
171.10187	7.1
197.11827	11.1
199.09627	8.6
209.11740	87.2
211.13319	100.0
227.12906	22.2
247.44946	7.8
253.09233	13.7
382.19064	6.4
445.20703	9.7
447.22116	13.4
615.19128	7.3
725.35449	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84872	0.7
57.03321	0.9
59.01248	16.5
61.23791	0.6
61.98692	1.2
69.03314	1.9
70.55175	0.5
71.01240	2.9
71.04884	0.7
71.57377	0.7
71.57768	0.7
72.99168	0.6
79.03407	0.6
83.01259	0.6
83.04893	1.0
85.02833	1.0
85.06423	0.7
87.00718	0.8
89.02317	2.5
95.04871	0.7
96.95898	1.2
97.02840	1.1
101.02319	2.3
111.07971	1.1
113.02297	1.8
119.03359	0.9
121.02826	0.9
125.09613	0.9
141.09189	0.7
149.09621	0.9
161.04420	1.4
167.10680	3.2
169.12209	2.3
171.10147	1.2
177.12724	0.8
179.05553	1.1
179.10678	1.0
179.14365	4.0
184.61259	0.6
188.04004	0.7
193.12170	0.6
195.13803	9.7
197.11748	37.7
198.12109	1.5
199.09775	0.8
199.13338	1.5
205.12247	8.7
206.12640	0.7
206.96405	0.6
209.11819	1.7
211.13336	4.5
223.13332	100.0
224.13658	5.5
235.08209	3.8
253.09232	8.6
277.21753	0.9
289.18204	0.8
291.19653	5.3
293.21252	1.7
295.19171	0.9
309.20663	12.1
310.21191	0.7
317.22247	0.6
341.23312	0.6
429.26559	1.0
433.20572	1.5
441.21109	2.2
459.22308	14.1
460.22836	1.4
513.59534	0.7
647.34253	1.6
665.35217	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	725.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27651	4.9
54.96401	4.6
59.01246	46.8
61.98695	12.5
71.01248	34.8
76.06929	4.3
78.69257	5.3
82.95261	6.3
83.01259	6.0
84.94992	20.6
85.02823	15.9
89.02306	15.9
93.03317	9.3
96.95884	34.9
99.78201	5.0
101.02315	24.2
101.51012	5.2
102.71830	4.9
111.08024	7.1
113.02329	15.6
119.03355	7.7
125.02305	11.5
132.99455	4.6
133.68962	4.4
137.02313	6.4
149.05981	6.8
160.01584	5.1
161.04524	7.2
171.10175	10.0
179.05540	6.4
183.13866	6.3
190.02586	6.1
191.05507	8.1
197.11803	11.0
198.35883	5.2
201.11148	5.8
202.45107	4.3
207.10132	8.2
209.11821	42.9
211.13361	31.7
212.13651	6.9
223.06110	7.4
225.11230	9.6
227.12788	18.4
229.83888	6.1
235.08189	8.8
250.56398	5.5
253.09230	8.5
285.03699	5.9
291.19662	100.0
292.19910	5.9
315.00223	5.6
338.12338	5.0
397.13446	67.4
415.14520	39.1
530.73199	5.0
689.33759	43.5
690.33942	14.9
725.31421	28.6
726.30701	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	725.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	40.2
61.98704	18.2
67.67405	4.0
69.38807	4.0
70.99288	5.7
70.99619	7.7
71.01263	21.5
72.99198	5.5
78.95765	5.8
82.00300	3.4
83.01278	4.2
83.04901	6.4
85.02840	10.5
88.89487	3.8
89.02332	17.9
93.03355	7.3
96.95913	20.6
99.00756	5.4
101.02326	16.3
109.06462	5.4
113.02309	12.2
121.02885	5.0
134.03641	3.9
137.02342	6.1
140.21182	3.8
160.01579	5.0
171.10153	7.5
175.03920	4.5
183.13840	6.2
193.05144	5.7
197.11784	5.5
199.09671	6.1
201.11273	6.1
205.04875	6.0
207.10194	6.6
209.11763	100.0
210.12082	9.2
211.13353	86.2
212.13661	4.5
225.11226	10.1
227.12817	23.3
235.08131	5.6
253.09238	16.6
285.04077	4.9
291.19702	21.8
378.33319	4.4
397.13559	19.4
415.14621	11.0
445.20837	10.4
447.22247	11.4
474.09778	4.4
613.09912	4.6
625.38257	6.9
689.33606	17.8
725.34558	27.7
726.35413	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	725.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	3.6
57.03320	6.9
59.01249	78.0
60.01572	2.0
61.98701	23.9
62.57465	1.6
68.99671	2.1
69.03320	4.6
69.28562	3.5
69.28968	16.7
71.01250	57.5
72.26867	1.9
72.99184	5.5
73.02815	12.1
75.00742	8.9
78.95777	2.6
81.03303	2.9
83.01261	9.7
83.04901	2.0
85.02818	29.7
87.00732	8.7
88.98680	3.0
89.02317	22.0
91.01817	1.8
93.03336	8.2
95.01265	9.0
95.04903	1.7
96.95866	12.0
97.02821	3.3
99.00747	10.4
101.02316	30.4
108.02081	4.7
109.02827	4.4
111.04374	2.2
112.01585	2.2
113.02328	34.5
117.03355	4.0
117.24155	1.8
119.01245	3.6
119.03413	7.2
119.04915	7.1
121.02808	11.8
123.00797	2.7
123.04441	4.6
124.01492	2.1
125.02331	7.7
127.00267	2.9
132.02081	5.7
133.02844	4.1
134.03625	25.9
135.00758	2.3
135.04434	12.3
137.02322	7.9
137.09587	2.0
139.00261	2.0
141.04137	2.2
143.03391	3.8
145.02846	9.1
146.03606	2.2
147.04414	5.2
149.02345	45.3
149.05969	4.6
150.03081	5.6
151.03891	6.9
152.01057	6.1
153.01823	7.9
159.04330	2.7
160.01575	18.8
161.02280	5.4
161.04475	11.6
161.05681	2.4
162.03127	2.3
163.03896	13.9
164.04684	48.4
165.01820	3.3
165.05446	8.9
165.12782	2.8
168.00531	3.0
171.10196	6.1
173.04491	5.2
174.03288	2.4
175.00281	21.5
175.03885	24.5
176.00926	2.1
176.04602	5.8
177.01839	4.1
177.05437	6.7
178.02596	5.1
178.06242	2.4
179.03351	3.5
179.05559	2.9
179.06981	10.7
180.04118	2.2
181.04994	3.1
183.13805	3.3
187.03931	2.6
189.01794	3.2
189.05490	2.1
190.02632	52.1
191.03401	14.5
191.05569	7.1
191.07120	5.4
193.01346	3.4
193.04974	29.8
193.06555	3.2
195.06516	3.9
201.11249	2.5
202.02768	2.1
203.07065	2.7
204.04170	2.0
205.04997	56.8
206.05754	22.0
207.02953	7.8
207.06398	3.1
207.08195	2.5
208.03676	8.4
211.13289	3.1
217.01398	10.0
217.05034	6.9
218.05478	2.2
221.06013	3.7
221.08064	26.6
223.06047	67.6
225.15031	5.0
232.03664	17.2
233.08096	2.4
235.05864	13.5
235.08026	3.4
237.07695	7.5
247.06068	100.0
248.06381	7.6
249.05972	2.8
250.04774	7.0
253.08774	5.3
263.07162	12.0
264.07614	2.1
265.07129	78.7
266.07712	4.9
267.07071	4.2
268.11240	2.2
269.04456	3.5
269.10388	4.5
280.07382	3.4
281.08191	17.7
285.04056	5.5
289.07269	2.3
291.06546	9.1
292.07501	3.7
293.08145	9.2
294.09061	2.6
295.08170	40.2
296.10547	3.7
308.07022	2.4
308.10571	2.3
309.07681	79.2
309.11276	3.8
310.07944	8.3
323.09167	16.9
324.09949	32.9
325.09235	45.6
327.21622	18.5
337.09177	15.8
339.08643	6.6
339.12320	81.4
340.12732	4.6
354.10608	4.9
355.10971	4.5
367.10208	5.1
369.13367	7.2
385.11273	24.3
387.20193	17.9
388.20139	2.2
415.14575	3.9
449.27206	1.8
455.19104	23.6
479.32193	3.9
623.36346	7.7
639.35577	4.9
641.37140	3.2
665.37659	3.8
681.34796	2.3
683.38147	2.7
725.34613	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	725.1933
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.03324	1.0
59.01247	3.9
63.02268	1.0
65.00191	1.3
71.34618	0.7
72.99177	0.4
73.02827	0.7
75.00721	0.6
76.42149	0.4
82.97926	0.4
83.01273	1.8
85.02822	6.1
87.00759	1.0
89.02326	0.8
93.03334	1.7
96.95877	0.8
99.00758	0.5
101.02332	1.5
107.01257	2.5
109.02810	0.8
111.00766	1.7
111.04382	0.6
113.02346	1.0
118.61731	0.5
121.02794	0.8
123.00797	0.4
129.01836	1.6
133.02832	4.6
134.03596	0.7
135.04390	1.0
147.02785	0.5
147.05801	0.5
149.02307	1.5
151.00249	4.8
153.01868	0.7
161.02318	0.5
161.04483	0.9
161.05840	0.5
173.04468	0.9
175.03917	1.6
177.01810	0.8
185.06120	0.6
191.05553	13.3
197.05978	0.6
199.03952	1.7
201.01897	0.7
205.03450	2.2
211.03955	0.9
217.01462	0.5
217.04964	1.3
223.04510	7.0
227.03627	0.6
239.03334	0.6
240.04320	0.7
241.05247	0.6
256.03763	3.2
267.07123	0.5
283.02557	0.7
284.03247	52.4
285.04010	100.0
286.04346	7.1
293.04468	1.2
294.05005	0.8
315.07239	1.1
327.05084	1.0
341.14130	0.6
501.14008	1.1
503.18832	0.6
519.14935	0.8
593.15137	1.2
725.19293	73.1
726.19598	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	724.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	3.4
59.00940	2.0
59.01246	26.1
60.99172	2.4
61.98692	12.5
69.03337	1.7
71.01250	22.6
71.49489	2.0
71.49840	2.0
72.99174	3.5
73.02814	3.7
78.95773	1.9
79.77888	1.3
79.95612	2.8
80.03216	1.4
80.96381	13.5
81.47462	1.3
81.76546	1.4
82.95263	1.8
83.01247	3.0
83.04890	2.7
85.02822	9.3
85.51006	1.4
86.71048	1.4
87.00744	5.9
89.02323	8.2
93.03326	2.1
94.97968	3.6
95.01266	2.8
95.48029	1.2
96.95896	3.9
97.02826	2.3
97.06451	4.5
99.00800	2.7
101.02318	13.8
108.04413	6.4
109.06467	2.0
113.02320	7.7
119.03391	2.1
121.02832	1.6
123.07998	2.7
125.02349	3.0
125.09595	25.9
137.02344	2.6
145.04893	1.8
146.05998	2.2
149.02313	3.0
151.11143	1.7
153.01782	1.6
158.06006	2.1
160.01569	2.3
161.04431	1.7
163.03859	2.6
164.04674	1.6
164.98505	1.9
171.10158	4.5
175.03873	3.6
190.02644	2.7
191.05542	2.1
193.04976	1.9
197.11736	3.8
199.09679	3.1
201.11343	1.5
205.04994	2.5
209.11797	6.7
211.13319	4.6
214.16020	1.9
223.06081	2.7
225.00662	4.6
225.11140	2.7
227.12871	3.7
230.15443	5.7
235.08206	3.1
244.16991	5.4
256.17032	23.5
257.17276	2.0
274.18018	2.9
282.14960	4.4
300.15958	9.4
364.26291	3.3
382.27509	5.0
390.02087	1.7
390.24634	1.7
408.25415	5.0
414.26367	3.0
426.26465	15.7
427.26776	1.7
432.27490	2.3
444.27365	18.4
445.27795	3.1
462.28751	2.2
463.29767	1.6
511.18469	4.2
512.19067	9.0
662.35266	6.2
694.34326	7.5
706.35175	3.6
718.85754	1.9
724.35254	100.0
725.35870	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	723.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36534	0.2
54.57948	0.2
55.01778	0.3
57.03310	0.2
58.00496	0.3
59.01251	4.1
59.01532	0.3
69.60079	0.5
69.60491	0.6
71.01254	3.3
71.04910	0.2
73.02831	0.7
80.02549	1.2
81.03353	1.2
83.01261	0.5
83.04902	4.4
83.36040	0.2
84.02063	0.5
85.02845	0.8
87.00774	0.6
89.02315	2.6
95.01270	0.3
95.04926	0.8
97.02832	0.3
97.06474	0.2
99.00797	0.2
101.02332	2.8
109.06488	0.5
113.02354	1.4
119.03414	0.5
125.05993	0.3
127.07568	0.3
135.08089	0.5
143.03410	0.3
145.04982	0.5
161.04485	1.0
163.11201	3.8
163.12523	0.3
165.12781	2.6
175.33333	0.2
179.05573	0.3
181.12245	0.6
191.10706	1.1
193.49605	0.2
199.13376	0.4
209.11783	100.0
210.12122	5.8
227.12849	10.5
228.13199	0.7
235.06015	0.3
235.08199	3.0
253.09262	8.5
254.09767	0.3
259.20645	0.3
277.21719	69.5
278.22083	6.9
289.66928	0.2
403.70117	0.2
445.20627	0.9
478.87988	0.2
740.78351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68340	0.1
55.01749	0.2
55.92743	0.1
57.03316	0.2
58.00468	0.2
59.01247	3.8
63.96123	0.1
65.22017	0.1
67.67724	0.1
69.03339	0.3
71.01249	2.5
71.01608	0.2
71.04890	0.2
71.58009	0.2
72.99166	0.2
73.02832	0.6
75.00729	0.2
78.95761	0.1
80.02542	1.0
81.03337	1.1
83.01257	0.4
83.04890	4.5
84.02027	0.6
85.02802	0.7
87.00745	0.5
89.02314	1.7
93.03324	0.1
95.01239	0.3
95.04882	0.8
97.02777	0.1
99.00751	0.2
101.02316	2.6
103.03895	0.1
109.06461	0.4
111.00706	0.1
113.02320	1.5
119.03394	0.6
125.02375	0.2
125.05981	0.5
127.07512	0.1
131.03413	0.1
135.08037	0.7
143.03424	0.3
145.04904	0.3
147.11723	0.2
153.12682	0.2
161.04482	1.0
162.04842	0.2
163.11198	3.4
164.11548	0.2
165.12752	2.0
179.05527	0.3
181.12231	0.7
183.13879	0.2
185.11772	0.4
191.10721	0.9
199.13301	1.0
207.10239	0.3
209.11754	100.0
210.12091	6.2
210.14229	0.2
211.13333	1.1
225.11270	0.5
226.11601	0.2
227.12823	14.8
228.13130	0.7
235.08188	2.6
253.09251	8.6
254.09566	0.4
259.20547	0.2
275.20129	0.3
277.21695	62.0
278.22049	5.2
279.22894	0.2
293.21323	0.4
445.20563	0.8
463.21634	0.4
513.30896	0.1
600.08301	0.1
635.83313	0.1
723.42786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.2
58.00456	0.2
59.01244	3.3
64.72442	0.1
68.41227	0.1
69.39915	1.1
71.01246	2.5
71.75069	0.1
73.02804	0.4
80.02543	0.8
81.03325	1.1
83.01247	0.6
83.04893	4.3
84.02030	0.6
85.02831	0.6
87.00745	0.4
89.02306	2.1
95.01238	0.2
95.04887	0.7
97.02789	0.2
97.06453	0.3
98.20572	0.2
99.04427	0.1
101.02314	2.1
109.06449	0.2
113.02322	1.2
119.03397	0.6
125.05927	0.4
125.09608	0.2
131.03323	0.1
135.08058	0.5
143.03320	0.2
161.04453	0.9
163.11189	3.5
164.11488	0.2
165.12785	2.1
165.61137	0.1
179.05479	0.5
181.12263	0.5
191.10725	0.9
199.13263	0.5
208.10895	0.1
209.11757	100.0
210.12103	6.2
210.14168	0.2
211.13300	0.2
225.11253	0.2
227.12820	10.0
228.13214	0.6
233.22664	0.2
235.08211	1.2
236.08264	0.1
253.09244	7.4
254.09679	0.4
259.20844	0.2
277.21698	49.7
278.22046	4.9
389.59863	0.2
445.20840	0.9
463.21829	0.2
468.96194	0.2
608.26825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4324
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
57.03323	1.3
57.06070	0.5
58.12075	0.5
59.01251	7.2
71.01247	5.2
71.05727	0.9
71.06057	0.7
71.89436	0.5
73.02817	1.3
78.95771	1.4
79.93121	0.5
83.04896	1.2
85.02831	1.7
86.52205	0.5
87.00752	1.8
87.77843	0.5
89.02309	3.5
95.97493	0.5
97.06461	1.3
101.02319	4.5
109.06478	0.7
111.08004	1.4
113.02351	1.7
119.03381	1.1
145.04982	0.6
152.99471	1.8
161.04433	1.4
165.12753	9.2
183.13823	75.1
184.14119	3.3
199.13359	1.9
207.10158	1.0
209.11768	13.0
225.11234	1.4
227.12834	9.0
235.08200	3.2
253.09232	6.7
253.21855	0.5
275.20056	0.7
277.21707	100.0
278.22040	8.9
279.23154	1.5
293.21085	0.6
402.90219	0.6
445.20520	2.6
463.21732	2.1
487.19278	1.3
723.43152	58.8
724.43390	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	723.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.5
59.20927	0.1
63.02261	2.2
63.98153	0.2
65.00191	0.8
71.01256	0.3
81.03363	0.2
83.01265	0.2
85.02832	0.5
89.00163	0.3
93.03350	0.3
95.70976	0.1
97.42458	0.2
104.68194	0.2
105.03348	0.2
105.75851	0.1
107.01271	2.1
111.16931	0.1
117.03350	4.7
121.02834	0.3
132.01848	0.2
135.04404	0.3
147.00827	0.3
148.01567	0.2
149.02350	1.1
151.00244	1.1
155.04964	0.3
157.06520	0.2
159.04419	1.8
161.02333	1.3
169.01280	0.2
169.06509	0.5
171.04427	0.4
173.01495	0.2
175.00322	0.2
176.35803	0.1
180.05740	0.3
181.06458	0.8
183.04483	0.8
191.05533	0.5
195.04468	0.2
196.05220	0.6
197.06003	1.2
199.03914	0.3
201.05505	0.8
211.04037	0.4
212.04706	0.2
215.81599	0.2
224.04732	0.5
225.05528	1.8
227.03339	0.7
230.29379	0.2
239.03476	0.5
240.04250	0.6
241.05080	0.2
267.03030	0.2
268.03760	7.6
269.04541	100.0
270.04889	6.3
293.04535	0.2
457.11362	0.2
577.15399	0.3
723.21405	37.3
724.21667	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	723.345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38450	1.5
55.01746	2.0
57.03327	8.9
58.00457	4.3
59.01253	82.6
61.98700	10.4
65.00213	2.4
67.01760	3.2
68.75335	1.4
68.99689	1.9
69.03329	6.6
69.81278	4.1
69.81696	4.4
70.62778	1.3
71.01254	80.0
72.99174	10.1
73.02819	9.3
75.00751	4.5
78.95783	8.5
80.02538	2.7
80.60429	1.3
81.03325	6.6
83.01273	12.5
83.04900	6.6
85.02815	20.2
87.00756	14.0
88.98676	1.8
89.02318	58.2
93.03336	3.6
95.01279	6.3
95.04869	2.7
96.95876	7.0
97.02838	12.3
97.06474	12.4
99.00763	5.7
101.02323	50.2
106.04066	1.5
107.01342	1.7
107.04905	2.8
108.02027	1.7
109.02816	2.5
109.06458	4.4
111.00803	2.3
111.04410	2.1
113.02331	23.4
115.00253	1.9
117.03350	1.4
119.03386	15.4
119.04931	1.8
121.02818	3.5
121.06509	3.5
123.04403	8.0
123.08046	4.0
125.02327	18.5
125.09620	18.8
131.03444	1.7
133.02834	2.2
133.06479	6.3
134.03644	3.3
135.04401	2.9
135.08043	3.4
137.02307	5.2
137.05974	2.1
137.09624	4.7
141.12708	2.0
143.03406	8.6
149.02327	4.8
149.05989	2.9
151.00264	7.1
151.11244	1.6
152.99495	3.0
153.01826	2.8
160.01549	4.7
161.04445	7.6
161.09682	2.1
163.07524	1.8
163.11200	16.2
164.04716	3.2
165.01863	1.7
165.05322	1.5
165.09190	2.1
165.12759	7.3
167.10680	3.7
171.10167	6.6
175.00383	2.5
175.02382	2.6
175.03909	4.2
177.01897	2.4
179.05565	9.6
179.06929	1.9
179.10707	2.5
181.12216	5.9
183.13713	2.9
185.11758	20.0
190.02580	3.7
191.05336	1.9
191.10757	2.9
191.14314	15.6
193.04977	5.4
197.11789	1.5
201.11220	2.2
205.04936	4.5
207.10262	9.4
209.11772	53.2
209.13777	2.7
210.12114	3.8
211.13348	10.3
217.15862	1.6
221.06627	4.0
223.06078	5.8
225.11237	12.1
226.11633	2.0
227.12802	14.9
235.08133	11.1
237.11304	4.3
243.17564	2.0
245.16681	2.4
245.19107	31.5
246.19295	3.2
249.06155	1.8
253.09181	4.0
255.03168	1.7
263.07782	3.2
263.20160	5.8
269.04547	3.1
271.16995	3.2
281.21271	3.5
284.03241	22.3
285.03983	23.5
289.18103	100.0
290.18350	6.0
291.38272	1.5
299.05576	30.2
300.05969	3.3
307.19159	64.7
308.19424	4.3
309.20364	1.9
313.07242	2.1
315.07016	2.1
325.20416	2.9
355.11945	8.2
397.13464	15.3
415.14520	21.9
463.21329	2.0
691.12634	3.4
691.34601	4.4
692.13049	2.0
723.21985	2.4
723.35413	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	723.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03299	0.9
56.66908	0.9
56.77594	0.8
59.01260	1.3
60.58013	0.8
61.25289	0.8
67.01745	2.4
67.60662	0.9
67.62981	0.9
68.87353	0.8
70.02593	4.8
71.01257	2.3
73.62505	0.8
77.11408	0.9
81.05586	1.1
85.02823	9.4
87.00755	6.6
93.03330	22.3
96.95903	1.1
109.02856	2.4
111.04406	3.4
121.02866	1.3
123.04385	19.3
124.04787	1.1
129.01811	4.1
133.02837	9.1
135.04384	2.8
135.39143	1.0
137.02321	1.7
145.84793	0.9
147.22192	1.0
148.88760	0.9
149.02310	1.7
150.02792	1.2
155.03462	0.9
171.02895	1.1
173.04463	17.8
175.02361	1.0
177.01822	10.1
178.02243	1.4
179.03349	1.5
191.05522	100.0
192.05884	4.3
193.01262	1.0
195.02930	6.8
205.03447	2.2
215.05551	2.7
223.04514	2.1
227.07033	1.0
255.10251	2.8
295.26410	1.0
343.08163	2.7
351.07172	7.6
352.07587	1.1
353.08740	9.3
369.08212	40.4
370.08597	3.9
379.26639	1.2
517.13373	1.5
520.75421	1.0
523.53668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68522	2.1
57.03321	3.6
59.01250	34.1
61.98705	10.1
63.02253	2.1
65.00201	2.5
69.03300	2.8
71.01251	27.4
71.58086	2.6
72.99174	3.5
73.02808	4.7
75.00713	3.4
78.95798	2.3
80.96378	6.0
81.03329	3.1
83.01253	5.1
83.04890	3.5
85.02827	12.2
87.00745	6.2
88.98657	2.4
89.02328	11.8
93.03328	4.1
95.01260	3.0
96.95890	11.3
97.02832	3.3
99.00761	3.7
101.02308	10.6
107.01256	3.0
107.04887	2.3
108.02083	4.2
109.02818	2.3
111.00767	2.9
113.02301	10.5
115.00281	2.6
117.03355	7.2
119.04902	3.1
121.02842	4.1
123.04443	2.2
125.02340	6.7
132.02129	3.3
133.02800	2.0
134.03645	6.4
135.04382	4.5
137.02325	5.1
140.55092	2.2
141.04054	2.4
145.02855	3.5
147.04343	2.5
149.02299	14.1
149.05939	3.5
149.99446	2.4
150.03105	3.0
151.00272	6.1
152.01006	2.7
153.01820	5.7
154.03448	2.4
159.04419	2.0
160.01570	4.6
161.02322	2.7
161.04401	4.0
163.03857	4.1
163.07629	2.3
164.04671	8.7
171.10167	19.5
175.00249	4.5
175.03908	5.4
177.01826	4.6
179.03468	3.3
183.13818	3.2
185.11728	4.5
190.02606	22.0
191.05481	3.1
193.05008	8.3
201.11224	4.5
205.04980	17.1
207.10168	3.2
207.34865	2.0
208.17824	1.9
209.11797	6.8
223.06003	13.9
225.05646	2.1
225.11223	5.2
227.12724	3.4
242.07866	2.2
249.05908	2.5
269.04526	100.0
270.04843	5.4
285.03906	5.5
299.73651	2.4
300.02914	2.6
343.14288	2.0
351.43930	2.2
409.11438	14.7
503.02100	2.2
512.47327	2.4
513.19348	2.5
619.37000	4.0
637.37305	2.4
722.30597	2.9
723.37836	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	722.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.2
59.01250	9.4
61.98698	12.9
69.03307	1.3
70.17174	4.3
71.01249	9.4
73.02804	2.2
78.95760	1.8
80.04898	1.6
83.04903	2.1
85.02819	3.8
87.00741	2.6
89.02296	2.9
93.03323	1.0
96.95861	2.4
97.06439	2.5
99.00716	1.4
101.02332	6.5
113.02303	3.1
119.03390	1.0
123.07991	2.0
125.02272	1.5
125.09615	16.0
191.05583	1.3
191.14403	1.1
197.11642	1.4
204.17357	1.6
207.10291	1.6
209.11746	1.6
210.12080	1.0
211.13300	3.5
212.14406	2.6
213.11386	1.4
230.15453	26.0
231.15820	1.9
269.04529	1.3
272.20197	2.5
298.18079	9.3
309.20798	1.2
316.19131	38.2
317.19418	3.2
338.24731	2.9
356.25830	4.6
364.22784	2.8
382.23865	12.0
400.24728	4.5
418.25977	9.6
424.28580	1.7
486.28470	5.1
504.29730	3.6
722.37506	100.0
723.37976	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	722.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85379	0.9
57.03312	1.7
58.00470	1.3
59.01249	9.7
61.98697	10.6
71.01250	11.6
71.57987	1.3
71.58400	1.5
73.02838	2.4
78.95774	2.4
82.95277	1.2
83.04855	1.0
85.02821	2.7
87.00736	1.6
89.02303	2.0
95.01263	1.2
96.95882	3.0
97.02812	1.9
97.06461	3.5
101.02310	3.4
106.42709	1.2
113.02315	2.5
123.08041	2.5
125.09613	16.4
171.10179	1.8
191.05644	1.4
204.17470	1.5
209.11674	1.3
211.13329	3.4
212.14433	2.5
213.11543	1.3
230.13274	2.1
230.15436	26.0
231.15700	2.2
236.10567	0.9
269.04724	2.7
269.97238	1.1
272.20123	1.9
298.18170	8.1
309.20615	1.3
316.19153	42.1
317.19431	4.4
323.44699	1.1
338.24817	4.0
356.25864	3.9
364.22812	2.7
382.23804	11.4
400.24850	3.8
418.26077	9.4
419.26465	1.2
424.28320	1.4
486.28445	4.4
504.29669	3.1
722.37518	100.0
723.38013	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	721.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29354	0.3
55.01754	0.4
57.03316	0.6
59.01252	5.1
61.98704	0.3
62.42619	0.3
69.03299	0.6
70.45032	0.6
71.01258	3.8
71.04883	0.9
73.02823	0.8
81.03324	0.6
83.01257	0.5
83.04881	0.6
85.02834	1.3
87.00757	0.8
89.02316	1.7
95.01270	0.5
95.04922	0.5
97.02831	4.8
97.06462	1.2
99.00758	9.1
101.02325	2.7
109.06471	3.6
110.03619	0.9
110.90381	0.2
111.04398	0.3
113.02348	1.3
119.03362	0.5
123.04421	0.4
123.08065	0.3
125.02349	0.7
125.09616	2.3
127.07550	0.3
135.08058	0.7
136.05164	0.9
142.02629	1.9
145.04958	0.5
145.10124	0.4
161.04480	1.1
161.09641	0.4
163.11195	6.2
164.11485	0.5
169.39326	0.3
179.10652	0.4
179.96193	0.3
181.12256	9.3
182.12701	0.5
189.09106	0.5
195.37375	0.3
197.11761	0.4
199.13284	0.8
207.10205	37.1
208.10559	2.0
209.11813	0.4
225.11276	60.5
226.11617	2.8
231.20502	0.3
235.08255	2.7
243.12325	7.9
244.12691	0.5
253.09265	5.1
259.20642	0.3
267.12326	0.5
277.21719	100.0
278.22067	7.5
281.13708	0.3
299.14877	0.7
309.91574	0.3
418.14511	0.3
441.33942	0.3
443.19193	4.4
461.20306	7.1
462.20837	0.3
513.30035	0.3
577.37769	0.4
721.41687	17.3
722.42096	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	721.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18989	0.5
55.01750	0.8
57.03306	0.6
58.00462	0.6
59.01249	14.9
66.73891	0.5
69.03307	0.9
70.15085	1.3
70.15476	1.2
71.01254	8.6
71.04906	0.8
72.99163	0.6
73.02812	2.3
81.03323	1.5
81.52122	0.4
83.01259	0.6
83.04893	1.6
85.02820	2.2
87.00745	2.5
89.02324	6.0
93.03339	0.6
95.01263	2.0
95.04894	3.6
97.02825	4.1
101.02329	6.9
107.04897	0.8
109.06468	6.4
110.03613	2.3
111.04424	0.7
113.02356	3.7
119.03366	1.2
121.06484	1.1
125.02350	0.7
135.08052	0.8
137.09695	0.5
145.05019	2.4
145.10143	1.3
151.11121	0.7
161.04483	2.6
161.09587	1.5
163.11209	9.3
169.12254	1.1
179.05524	1.7
179.10681	2.8
181.12206	1.5
189.09143	5.8
197.11743	1.2
207.10202	28.2
208.10541	1.3
209.09868	1.0
209.11765	11.2
210.12100	0.8
211.13298	1.6
225.11275	100.0
226.11632	4.5
235.08199	13.1
253.09270	13.2
254.09758	0.6
275.20230	1.2
277.21719	87.0
278.22101	8.0
287.13727	0.5
291.19601	1.0
293.21234	6.4
317.76382	0.6
372.17694	0.5
387.62030	0.5
443.19247	8.8
461.20279	12.7
462.20551	1.2
467.30829	0.5
585.79944	0.5
721.41559	9.8
721.53418	0.9
722.41998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23747	0.4
55.01736	0.7
57.03316	0.5
58.00460	0.9
59.01245	10.5
60.28349	0.4
66.79422	0.4
69.03314	0.9
70.08723	2.2
71.01252	7.5
73.02813	2.2
74.63327	0.4
80.02560	0.6
81.03317	1.3
83.01256	0.8
83.04880	1.6
83.44054	0.4
85.02822	2.0
87.00731	1.6
89.02325	4.5
91.03885	0.4
93.03312	1.0
95.01262	1.8
95.04878	4.3
97.02824	4.3
97.06495	0.5
99.00754	0.7
99.04380	1.2
101.02311	5.7
106.04082	0.5
107.04890	0.7
109.02805	0.8
109.06466	9.6
110.03639	2.3
111.04376	1.3
113.02322	3.4
119.03393	1.6
119.08577	0.7
121.06473	1.0
123.04417	0.6
123.08094	0.9
125.02362	0.6
125.06022	0.4
125.09583	1.4
135.08032	1.4
136.05249	0.4
142.02556	0.8
143.03365	0.6
145.04950	1.2
145.10088	0.7
149.09653	0.6
151.11194	0.6
152.99539	0.4
161.04488	2.7
161.09616	2.1
163.07607	0.5
163.11185	11.1
164.11481	0.8
165.09181	0.5
169.12233	0.8
179.05492	1.4
179.10677	2.0
181.12242	2.6
189.09123	5.1
197.11801	1.3
207.10190	40.2
208.10580	1.7
209.11784	1.6
211.13264	0.9
225.11258	100.0
226.11615	4.4
227.12683	0.8
235.08160	7.3
244.10599	0.5
253.09224	10.6
264.75119	0.5
275.20169	0.7
277.21701	79.9
278.22049	5.6
291.19525	1.0
293.21201	1.0
299.15027	0.8
410.77530	0.5
443.19202	7.9
444.19528	0.7
445.20856	0.5
461.20255	17.1
462.20575	1.4
641.90143	0.5
721.41577	13.1
722.42242	1.7
725.01471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92869	0.6
55.01743	1.0
58.00484	0.6
59.01251	17.4
65.03858	0.5
69.41656	5.6
71.01257	9.3
72.99184	0.7
73.02811	0.8
78.46372	0.8
80.02560	1.1
81.03327	2.4
83.01258	1.1
83.04904	2.9
85.02828	2.2
87.00755	2.3
89.02321	5.9
91.03882	1.0
95.01282	1.3
95.04914	2.7
97.02833	7.5
97.06493	0.7
99.00774	1.8
101.02322	8.6
106.04137	0.7
107.04930	0.7
109.02777	0.7
109.06473	31.7
110.03625	2.3
110.06819	0.6
111.04425	1.2
113.02325	4.2
119.03405	1.9
121.06481	2.1
121.10114	0.7
123.08039	0.7
125.02359	0.8
125.09615	1.5
129.14830	0.7
133.06435	0.9
135.08075	4.2
136.05191	0.9
142.02623	1.6
143.03433	1.4
145.04922	0.9
151.11212	0.6
161.04474	2.8
161.09682	2.5
163.11201	20.6
164.11507	0.7
179.05566	3.2
179.10696	1.7
181.12250	5.2
187.11162	0.7
189.09135	5.2
197.11771	1.0
207.10213	91.6
208.10553	4.4
209.11732	3.1
211.13365	4.9
223.13412	0.7
225.11282	100.0
226.11617	5.2
235.08224	4.1
243.12463	1.5
253.09259	16.4
254.09560	0.7
275.20050	1.8
277.21716	89.1
278.22043	7.3
291.19687	3.4
299.14966	1.6
441.33804	1.9
443.19272	8.3
461.20309	24.6
462.20386	2.0
463.22565	0.7
703.39923	1.0
721.41718	28.6
722.41650	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	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.0
57.03313	3.4
59.01252	14.2
61.98698	5.6
69.03329	1.8
70.75564	0.7
71.01252	10.3
71.04895	3.7
71.07625	1.3
71.07954	1.0
71.37447	0.7
72.99165	0.9
73.02821	2.8
75.00713	0.8
80.02525	0.9
80.96390	1.0
81.03327	2.4
83.01250	2.0
83.04895	5.3
84.02016	1.3
85.02803	5.0
87.00748	2.4
89.01775	0.9
89.02295	5.5
93.03327	1.6
95.01276	1.8
95.04900	2.2
96.95881	5.9
97.02832	4.5
97.06451	4.2
99.00755	24.9
99.04406	0.8
101.02316	5.9
109.02848	1.5
109.06449	2.4
110.03581	0.9
111.04375	1.1
112.97384	0.7
113.02321	6.3
117.03334	0.7
119.04927	1.0
123.04376	0.8
123.08011	2.1
125.02317	1.2
125.09611	10.4
129.01797	0.7
134.03613	2.7
135.04442	0.8
135.08066	2.1
137.02394	1.7
141.04111	1.3
147.04459	1.2
149.02341	1.1
151.00220	0.9
152.01016	1.2
155.14319	1.0
160.01624	1.3
161.04449	2.3
161.09557	1.2
162.76451	0.7
163.03889	1.7
163.11188	16.2
165.12807	3.6
167.30534	0.8
171.10168	5.8
173.04398	1.0
175.03952	1.5
179.05482	0.9
181.12260	22.2
182.12566	1.1
190.02695	1.9
190.50987	0.8
191.10663	0.8
193.04979	3.1
197.11742	2.2
199.13345	12.1
205.04982	1.0
207.10204	31.1
208.10469	2.2
209.11757	52.1
210.12085	3.5
223.06039	1.5
225.11259	44.5
226.11575	2.9
227.12843	4.1
238.03017	0.8
243.12331	25.6
244.12575	1.3
249.05939	0.9
253.09286	3.0
281.32025	0.9
285.04120	1.4
327.41171	0.8
353.10104	1.4
461.20175	2.2
479.21307	6.0
527.29755	0.9
671.33051	3.6
689.33850	100.0
690.34149	12.7
721.36682	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	721.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61768	0.3
52.14830	0.2
55.01742	0.7
57.03321	0.5
58.50019	0.3
59.00986	0.4
59.01253	5.3
69.03336	0.4
71.01253	5.6
71.04883	0.9
72.99166	0.5
73.02820	1.1
81.03323	0.4
83.01257	0.6
83.04890	0.5
85.02814	1.3
87.00745	1.4
89.02314	2.1
95.01262	0.6
97.02827	7.1
97.06461	1.3
98.19738	0.6
99.00758	10.7
101.02329	3.1
109.06458	2.9
109.47448	0.3
110.03646	1.4
111.00751	0.3
111.04446	0.3
113.02348	2.0
119.03395	0.6
122.63615	0.3
123.04426	0.5
123.08045	0.5
125.02336	1.1
125.09613	3.1
135.08047	1.3
136.05203	1.2
142.02643	2.6
143.65411	0.3
145.04996	0.7
145.10144	0.6
153.12711	0.4
161.04459	0.9
161.09595	1.1
163.09807	0.5
163.11179	7.9
164.11449	0.4
179.05418	0.5
181.12270	15.8
182.12608	0.7
189.09155	0.7
197.11772	0.9
199.13342	1.4
207.10205	51.9
208.10521	2.2
209.11777	0.5
225.11276	100.0
226.11636	5.7
235.08113	2.3
243.09842	0.6
243.12347	11.5
244.12691	0.5
253.09291	3.1
255.23271	0.3
259.20798	0.4
267.12555	0.4
277.21713	84.6
278.22067	6.2
291.23096	0.3
293.21085	0.3
299.15082	0.8
317.15964	1.1
443.19125	4.1
461.20291	31.0
462.20587	2.9
508.82330	0.3
539.22687	0.3
721.41656	20.0
722.42432	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	721.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.8
57.03310	1.0
59.00981	0.9
59.01250	8.2
61.98695	2.1
68.26291	0.5
69.03317	2.0
71.01251	6.7
71.59019	0.9
72.99162	1.3
73.02809	1.9
75.00740	1.5
79.95607	1.1
80.96412	0.7
81.03309	0.6
83.01268	0.9
83.04861	1.1
85.02811	3.9
87.00755	2.1
89.02314	2.8
91.09572	0.5
93.03342	1.7
95.01259	1.2
96.95887	35.5
97.02848	0.7
99.00768	1.9
100.32162	0.5
101.02312	2.8
108.02058	1.8
109.02837	2.0
111.00734	0.6
111.04351	0.6
113.02332	3.9
117.03367	0.5
119.04883	1.5
121.02823	1.5
123.00720	0.8
123.04385	0.9
124.01568	0.9
125.02325	2.6
126.90244	1.7
127.42505	0.5
134.03622	1.5
135.04393	1.5
137.02295	2.4
141.04066	0.7
145.02846	0.6
147.04471	0.9
149.02339	2.9
149.05988	0.5
150.03117	1.9
151.00281	0.7
151.03899	1.5
152.01036	1.7
153.01813	2.1
154.01367	1.4
155.03383	0.6
160.01576	1.3
160.03931	0.8
161.02332	1.3
161.04407	0.9
163.03934	1.0
164.04712	1.6
165.05521	1.4
167.03400	1.2
168.00529	0.5
171.10175	0.7
173.04433	1.0
174.01538	0.8
175.00163	0.6
175.02519	0.7
175.03937	1.8
179.03409	0.6
179.07066	1.6
179.99855	0.7
185.00726	1.0
190.02605	1.6
191.05626	0.8
193.04979	1.8
195.06528	0.5
197.11792	0.7
205.05000	2.0
209.11737	1.2
223.06020	2.7
227.41858	0.5
241.04994	0.8
243.06523	0.8
249.05791	0.6
267.07233	0.7
269.04517	1.0
270.05405	0.9
284.03244	0.9
285.03998	1.9
287.16440	0.5
297.04031	3.2
298.04932	2.6
309.04016	2.8
314.30682	0.5
330.03766	3.3
337.07571	3.7
338.08215	0.6
353.10275	100.0
354.10602	8.3
405.06729	0.9
696.37213	0.5
704.29871	0.6
721.33295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.0
57.03325	6.3
58.00480	1.3
59.01254	33.7
61.98711	11.0
61.98985	1.6
67.77319	1.5
69.03336	2.6
71.01254	22.3
71.04903	5.3
71.59554	2.3
72.99187	2.8
73.02841	6.6
75.00745	3.4
80.96396	2.6
81.03328	2.9
83.01269	4.6
83.04907	9.3
84.02049	2.5
85.02828	9.8
87.00768	7.1
89.02309	8.5
91.01779	1.8
93.03333	2.7
95.01292	3.2
95.04903	2.6
96.95897	23.7
97.02837	5.9
97.06488	3.8
99.00768	21.5
99.75778	1.3
101.02330	14.4
107.04920	2.5
107.22977	1.4
108.02063	1.8
109.02860	4.1
109.06450	1.7
111.00749	2.2
113.02328	10.5
119.03391	2.7
119.04903	3.2
121.02858	2.8
123.00819	1.6
123.08086	1.7
124.01559	2.2
125.02338	3.4
125.09596	9.5
129.01863	2.6
133.02907	1.5
133.04994	1.6
134.03661	10.5
135.00748	2.1
135.04434	4.3
135.08058	1.9
137.02327	6.6
139.00288	2.2
141.04111	1.6
142.02687	2.0
145.02882	1.8
149.02357	6.1
149.06026	2.0
150.03145	4.1
151.00299	2.5
151.03896	2.9
152.01068	4.4
153.01845	5.8
153.09154	1.8
160.01559	6.2
161.02408	2.1
161.04539	3.9
161.09721	3.4
161.13295	1.7
163.03876	3.0
163.07539	1.9
163.11211	12.5
164.04724	3.4
165.01974	1.4
165.05524	3.0
165.12793	4.7
168.00525	1.4
171.10214	5.7
173.04495	2.2
175.03960	5.2
176.01105	1.8
177.01904	2.0
177.05576	1.7
179.03412	1.9
181.12256	19.1
184.60538	1.4
185.00899	1.5
187.11168	7.2
189.09167	2.4
190.02682	5.9
191.05531	2.8
191.11003	1.6
193.04951	8.0
195.06573	2.4
197.11723	3.1
199.13351	32.7
205.04936	3.3
205.12283	3.7
207.10225	39.8
208.10501	2.3
209.11783	86.0
210.12120	4.0
213.11411	1.8
215.12991	1.8
223.06047	4.1
225.11284	71.8
226.11729	1.8
227.12863	9.0
243.12347	20.4
249.11404	2.5
253.09335	6.3
267.12469	1.4
285.04105	5.6
299.05630	2.7
351.08817	3.4
369.09811	7.4
461.20328	6.2
479.21524	4.3
501.31000	1.6
653.31635	4.0
671.32788	4.2
672.20093	1.7
677.32025	5.1
689.33887	100.0
690.34479	11.2
721.24799	2.5
721.36737	41.1
722.36810	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	719.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.6
59.01244	9.8
61.98708	0.9
64.40363	0.5
69.03295	2.3
71.01252	3.9
71.04899	0.9
72.99182	0.8
73.02822	1.1
78.95795	0.6
85.02823	0.8
87.00723	1.2
89.02303	3.6
95.04860	0.6
98.19810	1.7
101.02323	4.8
109.06490	0.8
110.13038	0.6
111.08046	0.6
113.02344	1.8
119.03427	1.0
125.09665	0.7
141.09061	0.5
161.04439	1.3
161.13228	0.5
167.10701	3.4
177.12802	0.8
179.05542	1.3
179.10719	1.2
179.14308	4.1
185.64200	0.5
195.13831	11.4
196.14259	0.6
205.12267	11.1
205.14064	0.9
223.13333	100.0
224.13658	4.7
229.98225	0.6
235.08171	3.1
253.09222	9.5
277.21701	84.8
278.22009	5.9
441.21014	1.2
459.22351	9.6
460.22787	1.3
622.27173	1.1
719.44110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01565	0.7
71.01266	1.0
72.99158	0.8
78.80630	0.9
91.03879	3.5
100.27630	0.8
107.49469	0.7
108.01075	0.9
112.98708	1.2
166.25970	0.8
174.01584	2.3
195.13748	1.6
209.11745	1.3
223.09755	0.9
223.13362	1.4
248.14961	0.9
255.23241	2.4
275.20007	1.2
277.21701	2.1
291.19678	2.4
291.52930	0.8
293.21210	18.9
294.21704	0.9
309.20721	14.4
310.21100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.3
55.13719	1.1
57.03302	1.7
59.01253	8.5
61.71806	1.2
69.28191	11.2
71.01253	6.6
71.04878	3.6
73.02791	1.4
83.01260	1.4
83.04900	1.4
85.02825	2.0
87.00761	1.2
89.02295	1.8
95.04940	2.1
97.02840	3.3
97.06469	3.5
99.00749	18.2
101.02310	3.9
113.02299	1.1
116.39053	1.2
123.08040	2.1
125.09593	9.6
163.11205	10.7
171.10161	1.2
181.12259	18.8
199.13322	8.1
207.10197	22.3
208.10605	1.2
221.11694	2.5
225.11272	30.7
226.11774	1.8
243.12378	10.9
253.09248	1.4
255.23248	57.5
256.23581	5.6
262.74442	1.3
277.21890	1.2
389.05093	1.3
443.16827	1.4
461.20218	2.5
479.21548	3.5
717.44269	100.0
718.44690	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	719.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	13.6
70.08202	27.9
71.01241	18.1
78.95779	8.1
85.02807	7.5
89.02310	20.8
90.60498	6.8
93.07928	6.0
94.87968	5.6
98.19942	6.7
119.03370	8.1
123.64799	6.3
135.31676	7.0
141.04099	43.0
191.05479	10.3
303.09412	22.5
341.10968	29.4
377.08469	100.0
378.08807	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	719.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.6
57.40984	0.7
59.01249	14.9
61.98373	1.5
61.98699	31.3
67.01759	1.0
67.93613	0.7
69.03318	6.3
69.94677	4.0
71.01245	10.9
71.04887	2.8
72.99166	2.4
73.02811	3.1
75.00730	1.4
76.08794	0.7
78.95767	2.2
79.95592	1.6
80.02543	2.1
80.96384	2.0
81.03331	2.7
82.18986	0.7
83.01241	1.9
83.04890	7.7
84.02029	2.0
84.05181	0.7
85.02816	4.8
86.37157	0.7
87.00747	2.6
89.02310	6.1
89.03844	0.8
93.03317	1.7
95.01241	0.9
95.04877	0.9
96.95881	16.6
97.02822	1.4
97.06475	1.4
99.00748	2.9
100.39409	0.8
101.02319	7.4
107.04891	0.8
108.02039	1.4
109.02818	1.4
111.00787	0.8
111.04407	0.9
113.02325	5.8
117.03342	2.6
119.03392	1.8
119.04901	0.7
121.02845	1.2
123.00785	0.8
123.08030	1.8
125.02291	1.1
125.05933	0.8
125.09587	2.1
131.03444	0.7
132.02058	1.1
133.02777	0.9
134.03625	31.9
135.04050	0.9
135.08005	1.6
137.02324	2.8
137.09547	1.0
148.05200	2.3
149.02316	3.3
149.05957	2.3
149.09529	1.2
150.84178	0.7
151.00304	0.7
151.11154	3.3
152.01045	0.9
153.01826	2.3
153.12802	1.8
160.01537	2.4
161.02228	0.9
161.04469	3.0
161.09631	5.0
163.00076	0.7
163.03845	1.1
163.07559	1.7
163.11171	5.6
164.04662	2.1
165.05363	1.0
165.12711	3.2
171.10155	2.4
175.00247	1.1
175.02545	1.0
175.03859	4.4
177.01804	0.7
178.02715	0.9
179.03430	1.0
179.10709	8.9
181.12218	1.5
190.02634	1.8
191.10735	1.3
193.04980	38.5
194.05360	2.9
195.06659	1.0
197.11752	79.0
198.12086	3.1
199.13338	1.0
205.04953	2.9
207.10268	1.1
209.11758	84.7
210.12135	4.6
211.13327	1.4
223.06059	5.6
223.09610	1.5
227.12845	6.7
235.08301	1.0
241.10863	5.2
241.14296	0.8
253.09262	5.4
259.18289	0.7
285.04041	1.0
373.15927	0.7
459.18872	1.0
477.19531	2.1
687.32281	100.0
688.32593	13.3
719.35394	23.0
720.35187	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	717.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92645	0.5
59.01251	100.0
61.98692	0.7
69.52443	2.2
69.52874	2.4
71.48318	0.5
91.38007	0.6
186.90828	0.6
209.80948	0.8
229.47151	0.5
236.56155	0.6
252.21661	0.6
275.74179	0.6
281.91440	0.7
438.09808	1.1
441.15482	1.3
453.12250	1.8
455.17322	0.9
457.18790	1.0
459.16663	1.7
467.13190	1.2
480.14539	0.9
481.11801	2.8
482.12094	0.9
495.16870	1.8
496.13757	13.8
497.14371	8.0
498.15134	1.9
510.15646	3.4
511.16122	7.7
512.17096	3.1
513.17474	3.6
514.17920	0.9
528.12744	1.1
530.14514	1.0
539.19409	1.7
542.14575	0.7
544.15833	5.3
545.16547	2.2
552.15607	0.8
567.18799	9.2
568.19214	2.0
571.18378	9.4
572.18671	1.3
583.18127	1.4
589.19257	2.2
597.19983	1.7
598.20758	2.0
599.21442	28.3
600.21857	6.4
602.16840	1.6
625.19775	1.3
630.19806	1.8
631.20233	1.4
643.20441	1.0
657.22070	15.7
658.22302	3.2
674.17554	0.7
717.24146	59.7
718.24432	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	717.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38324	2.1
55.94958	1.8
59.01257	15.7
61.98700	92.2
69.03331	1.9
71.01252	7.9
75.00742	3.5
78.95750	4.3
83.01271	2.6
83.04893	4.2
87.00762	2.1
89.02319	5.4
96.95873	6.3
99.00769	2.0
101.02341	4.8
109.02849	2.2
113.02325	5.2
125.02364	3.4
149.02547	1.6
152.99550	2.3
157.08630	4.4
163.11185	3.8
165.12791	2.6
171.10141	16.6
174.01698	1.9
181.12231	2.4
183.13820	8.2
188.10606	1.7
191.05521	3.2
199.13261	1.9
209.11769	100.0
210.12070	6.0
211.13341	97.2
212.13742	3.8
223.13306	4.8
227.12856	13.4
235.08269	4.3
253.09143	12.3
255.23320	5.5
327.21689	3.0
337.03296	2.2
349.15732	1.9
367.57001	2.1
371.38962	2.1
447.22382	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	717.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07146	0.8
52.64524	0.8
59.01249	100.0
61.98695	3.7
78.95763	1.5
98.19798	3.7
108.32413	1.1
118.75513	0.8
127.59805	0.9
230.23521	1.4
240.22916	0.9
407.39313	0.9
431.51132	0.9
441.15640	1.1
453.11533	1.3
457.18988	1.1
467.13837	1.6
473.17642	1.1
481.11252	2.4
495.13391	1.6
496.13794	12.2
497.14514	4.3
498.15314	2.2
510.15555	5.3
511.16220	7.4
512.16669	3.1
513.18188	4.1
523.15967	1.6
528.12848	1.4
530.14154	1.2
538.14532	1.3
539.19446	1.0
544.15924	4.2
545.16809	1.2
567.18811	10.0
568.19031	1.8
570.17432	2.8
571.18256	5.0
572.18567	1.6
583.18335	1.8
589.19031	1.9
597.19598	1.7
598.20947	2.9
599.21490	26.6
600.21869	6.2
602.16486	2.8
625.19446	1.5
630.19720	1.7
631.20691	1.6
657.21887	14.2
658.22339	3.0
717.24133	74.8
718.24335	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	717.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20913	0.5
57.03329	0.9
59.01250	3.9
62.60167	0.6
63.02255	0.5
67.01765	0.6
69.03324	4.4
71.01251	3.4
72.99182	0.7
81.03346	0.9
85.02807	3.2
87.00765	0.7
89.02330	2.3
91.01797	0.6
93.03350	3.2
95.01280	1.9
96.95904	4.0
97.02823	2.9
99.00771	0.7
101.02364	1.3
107.01283	1.0
107.04923	1.1
108.02049	71.5
109.02887	7.8
111.04402	0.6
111.08064	0.5
113.02328	1.2
119.04918	0.8
120.01138	1.9
121.02830	4.6
122.03629	4.0
123.00750	2.0
123.04404	3.6
124.01544	0.7
125.02319	5.3
132.02068	0.7
133.02866	1.6
134.03653	2.7
135.00819	0.8
135.04413	3.7
137.02386	3.3
141.04066	0.6
146.03632	0.5
147.04477	0.8
148.01567	0.8
149.02341	14.3
149.06038	0.5
150.03127	26.9
151.00287	2.5
151.03909	7.9
152.01053	100.0
153.01836	9.2
154.02159	0.5
161.02348	0.9
163.03906	3.9
164.03404	1.0
164.04684	7.5
165.01845	1.6
165.05484	18.7
166.02634	6.3
167.03421	0.6
168.00652	0.8
169.05072	0.6
173.04552	1.0
175.00302	6.1
175.03813	0.5
176.01118	4.2
177.01868	1.1
177.05536	0.7
179.03407	1.3
179.07050	2.8
180.04161	1.9
181.04991	4.0
190.02646	14.5
191.03397	6.5
191.05417	1.2
193.01366	2.0
193.05067	1.0
194.01962	0.6
195.06613	3.3
205.04997	11.7
207.02951	1.2
208.03670	3.3
209.04485	2.1
217.05028	0.6
223.06099	6.7
262.28195	0.6
281.85947	0.6
285.03918	0.9
297.06046	3.4
315.07117	2.7
316.07468	0.7
317.07584	0.7
322.77988	0.6
352.07883	0.9
353.08710	2.5
360.07306	0.5
367.10327	2.4
519.11255	3.1
520.12146	7.9
521.12891	6.5
522.13538	0.9
535.14551	3.2
593.15503	0.7
717.20276	85.6
718.20569	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	716.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.8
61.98700	100.0
62.98417	0.2
71.01261	1.0
72.01592	0.1
73.02813	0.1
75.00751	0.1
83.01269	0.1
85.02832	0.2
87.00748	0.1
89.02325	0.8
93.98723	0.1
97.02817	0.2
101.02324	0.7
103.02778	0.1
103.91218	0.1
113.02337	0.3
119.03428	0.2
125.02364	0.2
143.03479	0.1
147.95995	0.1
162.04790	0.1
172.85512	0.1
179.05476	0.2
181.06104	0.1
200.74394	0.1
209.11803	0.3
235.08173	0.2
255.23283	1.1
256.23529	1.4
256.25497	0.1
257.23969	0.7
278.48523	0.1
361.86899	0.1
397.13617	0.6
398.13983	1.0
399.13901	1.5
400.14240	0.8
415.14392	0.2
416.14941	0.4
417.15274	0.6
418.15314	0.3
599.21582	0.3
657.21930	0.2
681.64038	0.2
717.24188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90941	0.6
59.01249	12.5
71.01244	2.9
71.57662	0.8
72.99179	0.6
75.07979	0.5
77.10908	0.5
83.54115	0.5
89.02311	2.3
99.00758	0.9
101.02332	1.9
113.02335	0.8
113.09599	6.8
119.03365	0.6
141.09091	1.5
159.10178	100.0
160.10510	4.1
161.04408	0.8
181.12253	1.3
207.10252	1.7
216.46103	0.9
225.11320	2.3
226.80600	0.6
235.08147	2.0
243.12218	1.7
253.09265	13.7
253.21739	1.7
255.23019	0.7
277.21719	49.8
278.22064	4.5
346.12607	0.7
395.19315	1.8
404.70859	0.7
419.31601	9.5
420.31812	0.9
715.42932	5.2
716.43201	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	715.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	14.5
67.56884	0.7
70.80830	0.7
70.87186	2.1
71.01256	2.0
73.02836	1.0
78.95763	0.7
85.02827	0.8
89.02316	2.3
101.02325	1.6
103.84245	0.8
113.02351	1.2
113.09602	4.8
119.03365	1.1
159.10172	65.9
160.10501	2.4
161.04477	0.9
171.10086	1.1
229.39946	0.8
235.08192	3.9
253.09291	11.6
253.21703	2.9
277.21707	100.0
278.22079	9.8
304.34055	0.9
419.31653	3.4
513.30963	1.3
644.42706	0.9
713.48688	1.0
715.41992	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	715.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62077	5.0
59.01236	11.8
60.55338	4.2
71.01244	17.1
72.99181	5.2
75.00752	16.9
82.14339	4.0
83.62517	3.8
85.02819	19.5
89.05128	4.2
98.88268	4.0
99.00745	13.6
104.37834	4.3
110.33954	4.8
112.40218	3.9
113.02307	12.4
113.97343	4.0
115.00256	6.2
123.87135	3.6
132.60112	4.3
135.16644	4.7
144.55354	4.1
159.43187	4.3
165.12663	4.3
175.02255	5.8
183.13815	45.0
210.57327	4.1
229.62390	4.1
255.23256	100.0
256.23541	10.6
334.12024	4.4
527.55920	4.9
562.85840	4.7
648.58740	5.0
653.43884	6.1
715.42743	62.9
716.42468	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	716.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
59.01255	12.7
61.98705	6.8
63.02256	1.4
65.00206	0.9
71.01260	8.4
72.99181	1.4
73.02821	2.6
75.00748	2.3
83.01261	2.6
85.02823	4.2
87.00749	1.4
89.02309	3.4
93.03328	3.7
95.01258	2.2
95.12057	0.9
96.95911	4.4
99.00745	1.2
101.02329	5.5
107.01266	2.4
108.02054	2.0
109.02848	10.5
111.00767	1.4
113.02388	3.9
119.03377	1.1
119.04923	2.0
119.32552	0.8
121.02824	2.6
123.00774	1.4
123.04375	1.3
124.01575	1.0
125.01505	0.8
125.02304	4.0
133.02858	6.8
134.03627	3.8
135.00739	1.3
135.04404	3.6
135.22752	0.7
137.02324	3.4
139.00296	0.9
141.04056	1.1
143.03391	1.0
145.02820	1.0
149.02361	5.0
149.05977	1.0
150.03151	2.3
151.00314	4.8
151.03877	2.3
151.07440	1.1
152.00986	3.5
153.01840	18.7
154.02214	2.3
160.01559	3.1
161.02312	1.2
161.04533	1.5
163.03854	1.0
164.04643	1.3
165.05446	3.1
165.85570	0.7
165.88464	0.9
167.03395	1.5
171.04366	1.0
171.10202	1.2
173.04503	1.1
175.00362	2.3
175.03963	5.4
176.04382	1.6
177.01813	2.0
179.03345	1.7
179.06987	1.1
181.04918	0.9
181.54124	1.0
190.02643	5.0
191.03317	1.5
191.05498	2.0
193.04935	3.9
195.06487	1.6
199.03963	2.1
200.04544	1.2
201.01808	1.3
201.32666	0.9
205.03300	1.0
205.04996	3.3
207.06470	1.0
209.04358	1.2
217.05084	1.1
223.06038	2.7
257.04367	0.9
267.07043	1.6
284.03262	13.5
285.04053	100.0
286.04312	7.1
299.05615	17.1
315.07172	3.3
329.12460	1.4
331.89246	1.0
339.07120	1.0
481.18536	1.6
482.18915	1.6
653.15125	36.6
654.15192	4.9
715.37842	2.0
716.23163	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	715.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57526	0.4
53.05531	0.4
57.03341	0.6
58.84254	0.4
59.01249	9.4
59.01524	0.6
61.98705	3.4
69.03321	2.3
71.01247	6.1
71.04928	0.5
71.58243	0.6
72.95886	0.5
72.99198	0.9
73.02850	1.7
75.00766	0.6
78.95801	0.5
81.03355	1.5
83.01270	3.1
85.02360	0.6
85.02801	2.9
87.00784	0.6
89.02333	2.4
93.03348	1.5
95.01263	2.5
96.95890	3.5
97.02807	2.5
99.00768	1.0
101.02335	2.8
107.01278	1.2
108.02053	1.8
109.02835	2.3
111.00723	1.0
113.02322	3.4
113.99529	0.5
116.36040	0.5
117.03268	0.5
119.04932	0.7
121.02834	1.9
123.00750	4.7
123.04428	1.4
124.01541	11.1
125.02326	47.8
126.02716	1.6
127.00285	0.5
133.02855	0.6
134.03648	1.8
135.00807	0.8
135.04408	1.3
135.08072	1.5
136.01563	0.9
137.02332	3.6
139.00288	1.4
139.03889	0.9
141.01843	0.7
141.04074	0.6
147.04407	0.7
149.02298	4.0
149.99483	22.2
150.03079	0.7
151.00307	2.4
152.00998	1.0
153.01865	1.5
160.01567	0.8
161.02345	1.0
163.03920	1.4
164.04727	1.8
165.01848	0.7
165.05438	1.1
167.03419	2.1
168.00546	49.3
169.01309	6.8
175.00331	1.3
175.03951	1.2
176.01097	0.8
179.03456	0.8
179.07080	1.3
181.04993	1.1
190.02592	3.0
191.03365	0.5
191.05388	0.6
192.00520	1.1
193.01180	0.5
193.05028	1.1
195.06538	0.6
205.05048	3.6
209.11844	1.1
223.06038	3.7
268.03607	0.8
269.04446	1.6
271.02484	0.6
282.05270	1.2
283.05786	1.3
284.03027	0.7
285.03992	2.1
313.05591	6.9
314.05600	0.7
319.84692	0.6
331.06677	100.0
332.07019	5.9
371.11349	1.2
399.05646	19.8
400.05936	1.6
467.19083	1.9
607.19867	0.8
684.20093	0.7
715.24310	16.0
715.35675	0.6
716.24615	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	715.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91504	1.4
59.01249	27.1
61.65030	1.4
64.48064	1.6
64.92069	1.6
69.32064	6.2
69.32492	8.9
71.01247	4.5
72.57530	1.4
72.99167	2.5
77.49979	1.5
79.39792	1.4
79.99212	1.5
83.01260	1.8
85.02818	3.0
87.00764	2.6
88.98648	1.8
89.02330	3.7
89.52339	1.6
93.03344	4.2
96.95896	2.7
99.00780	1.4
101.02318	3.0
107.01256	2.4
108.01994	3.5
109.02831	2.7
113.02309	5.2
113.03098	1.5
119.03435	1.7
119.04884	3.8
123.00746	2.0
123.04362	1.9
125.02347	3.2
133.04976	2.7
134.03552	4.3
135.04427	4.0
137.02335	4.9
141.04071	3.8
147.04408	54.0
147.05579	2.8
149.02348	3.2
150.03117	2.3
151.00266	9.4
151.03908	2.8
152.00995	3.2
152.43445	1.8
153.01851	3.7
153.66351	1.4
161.02312	3.1
163.03917	3.0
165.04086	2.7
165.05484	41.7
167.03374	4.0
169.01372	2.5
173.04478	2.5
175.03867	2.8
178.99745	4.9
179.03439	2.2
191.05525	4.8
193.04892	2.5
199.29169	1.8
207.06540	30.3
227.07080	1.6
243.02908	6.3
254.02296	1.6
255.02945	16.2
267.07440	1.8
271.02490	32.4
272.02954	3.2
282.12161	1.9
283.02365	1.8
285.30029	1.8
300.02731	76.0
301.03467	36.9
350.66534	2.2
463.08810	100.0
464.09146	9.1
715.24207	2.3
728.56775	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	713.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.3
57.03324	4.7
58.00459	1.0
59.01250	21.6
68.99657	1.3
69.03319	1.9
71.01251	24.6
71.58484	0.8
72.98905	0.5
72.99187	6.4
73.02804	2.7
75.00748	16.2
83.01254	2.5
83.04881	0.7
85.02824	24.0
87.00745	8.7
89.02311	9.5
91.03915	0.7
92.41760	0.6
93.03315	1.8
95.00758	0.7
95.01262	6.3
96.95891	1.5
97.02803	2.0
99.00763	9.9
101.02333	4.9
103.00235	1.8
108.02037	2.3
109.02814	1.5
111.00767	1.1
111.08018	2.0
113.02332	28.0
113.35068	0.6
114.02640	0.9
115.00251	1.9
117.01801	1.8
119.03409	1.3
124.01560	2.2
125.02342	7.7
125.29010	0.6
129.01842	1.2
133.02953	0.7
133.04936	0.8
134.03659	1.1
135.00714	0.8
135.04398	1.1
137.02310	2.1
149.04433	0.6
149.99432	3.9
151.00224	0.9
151.03897	1.4
152.01053	2.4
153.01799	2.3
157.01262	1.5
160.01566	1.7
161.02357	1.4
161.04396	1.2
165.12746	15.6
167.03386	0.8
168.00563	8.3
175.02362	2.6
175.03899	1.8
177.01814	0.8
179.03329	1.5
183.13820	36.7
184.14137	2.0
191.05495	1.7
193.04996	1.9
207.04991	1.1
209.11758	1.6
223.06061	1.2
227.12819	3.7
231.05118	0.8
249.06120	9.1
253.09386	1.9
267.07199	26.7
268.07477	1.3
285.04041	0.9
295.95468	0.6
313.05722	0.8
315.07208	1.4
331.06720	17.6
337.09235	1.4
339.07376	0.8
362.20743	0.7
383.06155	1.3
399.05798	3.5
401.06689	0.8
445.20477	0.8
463.22067	2.0
491.22733	2.3
695.27472	1.4
713.28680	100.0
714.28979	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	713.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03323	1.0
59.01247	5.4
61.98706	0.8
69.03318	2.6
69.98489	0.4
71.01254	5.8
72.99174	0.7
73.02803	0.5
73.57365	0.4
75.00735	1.8
80.96373	0.6
81.03310	1.4
83.01257	1.4
85.02813	4.2
87.00735	1.2
87.40695	0.4
89.02319	2.5
91.01737	0.5
93.03332	2.4
95.01250	1.9
96.95887	2.2
97.02820	2.1
99.00745	1.3
99.04418	0.6
101.02317	2.3
107.01273	0.7
107.04912	0.5
108.02060	2.8
108.02671	0.6
109.02843	2.5
111.00786	0.4
111.04373	0.4
113.02335	3.4
115.00240	0.4
116.92785	0.4
119.03370	0.7
119.04893	1.8
121.02825	2.5
123.00765	4.6
123.04375	1.5
124.01551	11.3
125.02333	45.8
126.02635	1.2
127.78204	0.4
129.01813	0.4
132.02045	0.6
133.02823	1.1
134.03642	4.4
135.00772	0.8
135.02826	0.5
135.04425	2.6
136.01558	1.0
137.02336	3.8
139.03908	0.7
141.04068	0.5
145.02820	0.4
147.04376	0.8
149.02367	2.2
149.05969	0.6
149.99487	23.2
150.03044	1.1
151.00319	2.6
151.03906	4.7
152.01050	2.1
153.01881	2.2
153.05501	0.4
160.01591	2.9
161.02367	2.4
161.04396	0.6
163.03905	1.3
164.04671	1.2
165.01770	0.8
165.05453	1.9
165.12714	0.6
167.03430	2.1
168.00549	49.7
169.01294	4.8
173.04439	1.0
175.00385	0.7
175.02571	0.6
175.03914	3.3
177.01872	2.3
178.02542	0.5
179.03441	1.2
179.05573	0.5
179.07127	0.8
181.05013	0.5
181.08641	0.4
183.13821	1.5
190.02597	1.3
191.01830	0.5
191.03455	1.0
191.05482	1.9
193.01279	1.0
193.04980	4.1
194.05606	0.4
195.06519	0.9
205.04958	1.0
211.02298	0.6
223.06061	1.8
227.12915	0.6
243.06558	0.7
267.07184	1.6
269.04367	0.4
284.03299	0.9
285.04022	2.1
313.05667	6.5
315.07214	1.0
315.12460	0.8
327.08694	0.5
327.12460	1.3
331.06683	100.0
332.07025	5.6
337.09277	0.7
339.07169	0.8
339.12097	0.5
399.05640	21.8
400.06052	1.8
455.21759	0.4
489.10342	1.4
519.18701	0.4
527.18280	0.9
615.31946	0.4
713.15881	9.8
713.28418	5.0
714.15588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03544	3.8
55.35992	3.8
57.03313	13.4
59.01248	26.6
63.38078	3.6
65.00194	24.1
68.99698	4.8
69.03323	9.6
71.01260	24.9
72.99198	6.5
73.02824	6.4
74.27034	4.2
75.00748	8.8
76.84407	3.9
81.03328	4.6
83.01267	16.1
85.02831	18.6
87.00752	11.4
89.02305	14.1
93.03333	19.7
95.01256	10.3
96.95870	5.9
97.02863	7.2
98.19824	11.1
99.00720	9.1
101.02317	12.5
107.01245	29.3
108.02039	22.1
109.02842	40.9
110.03166	4.8
111.00730	7.7
113.02346	9.9
117.03332	7.7
119.04884	8.3
121.02844	19.4
123.00743	11.7
123.04414	4.6
125.02335	53.1
125.07660	4.1
132.02069	7.0
133.02855	8.7
134.03618	16.8
135.00868	4.1
135.04395	10.4
136.01569	4.2
137.02339	65.6
139.00279	12.5
139.03914	6.5
140.01088	8.8
141.01840	4.1
145.02893	12.1
149.02319	24.8
149.05991	4.2
150.03183	6.5
151.00269	100.0
151.03876	7.8
152.01035	30.1
153.01836	88.0
154.02232	9.2
160.01564	15.2
161.02370	4.6
161.49593	4.1
163.00298	22.7
163.03911	11.0
164.01048	17.7
164.04645	13.0
165.01846	47.6
165.05411	5.3
166.99759	9.4
167.03368	7.1
168.00552	14.4
169.01317	14.5
173.04477	6.5
175.00288	14.8
175.03906	13.7
177.01828	17.1
178.99786	17.8
179.03378	14.9
179.07066	5.0
181.01353	14.5
183.00137	4.5
183.02885	8.9
190.02628	31.7
191.01848	5.8
191.03424	9.3
191.05540	6.5
192.00600	22.3
193.01303	28.4
193.04979	26.9
198.01559	6.5
205.05013	27.0
206.99374	5.9
208.00056	49.7
209.00592	9.2
217.05109	11.4
219.02908	6.4
223.06055	12.5
229.04936	5.9
231.02791	4.8
242.27574	4.7
247.06075	17.5
251.07112	4.7
255.02963	24.4
256.03564	5.2
257.04541	9.0
269.04489	14.8
269.07916	5.0
272.03549	5.3
273.04019	10.4
283.02408	25.9
284.03207	19.8
285.03998	54.2
296.10556	5.3
300.02716	17.7
300.10062	16.7
301.03592	22.4
311.09393	10.3
312.09946	17.4
315.07135	10.2
315.12363	46.4
327.08951	5.0
327.12354	21.6
367.10315	32.0
385.11505	5.5
491.14191	4.9
501.12387	15.2
502.13339	5.2
503.13919	17.2
515.14233	8.8
517.11902	8.6
519.13757	23.8
529.11896	8.6
531.13391	16.2
533.15271	14.4
535.13379	5.3
543.13605	16.8
549.14441	9.0
559.12946	60.3
560.13202	8.5
565.19043	9.1
614.16553	4.3
625.17279	5.4
635.16412	6.1
651.15784	28.4
652.16345	6.4
669.16449	18.3
713.24786	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.3
57.03317	7.2
59.01248	100.0
60.01564	2.1
61.98687	10.0
68.99687	1.9
69.03339	2.6
71.01248	64.7
71.57981	2.2
72.99181	5.0
73.02809	17.0
73.03139	1.9
75.00742	5.6
78.95809	2.7
83.01254	12.1
83.04862	1.8
85.02820	34.8
87.00723	8.3
87.04433	2.1
88.75502	1.7
88.98723	2.3
89.02309	18.4
90.49136	1.6
93.03321	3.3
95.01267	8.1
96.95880	11.0
97.02830	7.3
99.00752	9.8
99.04386	2.2
101.02317	36.3
108.02045	7.0
109.02851	6.2
111.00780	7.7
111.07987	2.1
112.01504	2.7
113.02319	28.7
119.03405	4.8
119.04877	3.2
121.02865	3.8
123.04423	3.6
124.01578	2.6
125.02337	10.1
129.01836	3.7
132.02071	3.6
133.02907	2.0
134.03621	11.8
135.02864	2.3
135.04417	7.6
137.02321	7.8
138.37909	1.7
141.01823	1.6
141.04066	5.5
143.03381	6.9
145.51262	1.7
149.02341	9.7
149.05942	2.5
150.03076	3.2
151.00276	6.8
151.03864	3.1
152.01036	6.3
153.01848	5.6
159.02884	3.1
160.01593	7.2
161.02287	4.3
161.04468	8.9
163.03914	3.5
164.04639	6.7
165.01802	2.0
165.05493	2.7
167.03426	3.0
168.00594	2.0
172.05301	2.4
173.04514	3.2
175.00237	3.3
175.03961	8.7
178.02623	2.3
179.03452	2.6
179.05458	2.5
179.07036	2.0
181.08580	2.7
183.13780	3.3
190.02652	7.7
191.05479	2.9
193.04950	15.9
197.11774	4.4
205.04964	5.7
209.11798	4.8
211.13278	2.4
217.26033	1.7
223.06093	9.1
223.09857	2.0
241.10886	2.4
267.06882	1.8
284.03156	2.0
285.04132	6.1
286.04419	2.2
287.05545	4.4
289.07010	1.9
301.06979	2.4
301.27582	2.2
387.20087	2.1
445.31653	3.8
463.32736	12.4
464.32260	2.0
502.39835	2.0
535.30969	3.8
607.36963	89.0
608.37695	10.9
625.37946	71.6
626.38171	9.1
651.39716	10.6
667.16211	4.0
667.26349	6.3
667.38879	18.4
669.40753	3.3
693.37567	2.1
711.36566	14.3
715.16156	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	711.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84281	1.3
59.01252	36.3
65.74104	1.2
65.96764	1.5
71.01245	27.2
72.99175	2.9
73.02808	4.9
78.98678	1.2
83.01265	2.8
85.02834	6.9
87.00756	8.1
89.02312	35.2
94.98168	1.5
96.95898	1.7
97.02823	3.0
98.19758	2.9
101.02317	27.6
113.02328	12.8
119.03378	7.0
125.02283	7.5
131.03438	1.6
143.03375	3.8
161.04440	4.8
179.05499	6.9
197.11778	1.4
201.11179	1.5
207.10130	1.6
209.11800	9.8
213.67747	1.5
219.83856	1.5
221.06696	1.6
223.13263	8.4
235.08130	7.0
253.09172	3.4
253.21733	22.1
254.21979	1.7
267.23090	1.7
287.07605	1.9
397.13492	45.0
398.13849	3.5
415.14545	100.0
416.14777	4.0
508.59396	1.8
525.05237	1.7
711.39478	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	711.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.1
57.03313	6.2
58.00450	3.9
59.01247	100.0
61.10910	1.5
61.98698	59.1
69.03334	2.2
70.92142	3.4
71.01254	61.3
71.53425	1.7
72.99176	6.3
73.02813	18.8
75.00730	3.5
78.95741	2.2
83.01262	13.1
85.02820	32.7
85.99937	2.0
87.00755	9.5
88.98689	2.7
89.02310	29.3
93.03327	3.5
95.01250	8.7
95.36690	1.6
96.95892	5.6
97.02814	5.8
98.23702	2.0
99.00764	6.4
101.01690	2.8
101.02319	43.0
108.02048	2.1
109.02818	2.3
111.00700	2.7
113.02327	32.5
119.03390	9.5
119.04899	3.2
121.02845	3.2
123.04421	3.3
124.01570	7.2
125.02326	14.1
129.01808	2.2
133.02838	2.5
134.03618	4.5
135.04396	1.7
137.02333	6.4
141.05478	1.7
143.03400	3.9
149.02345	4.1
151.00183	2.5
151.03896	3.0
152.01050	3.4
152.62114	1.8
153.01801	3.2
159.02913	2.5
160.01595	2.4
161.02342	2.7
161.04427	10.5
163.03807	4.4
165.01718	1.9
171.10094	3.2
173.04544	2.1
175.03928	5.3
183.13858	2.9
190.02649	4.7
191.03395	1.9
191.05501	2.0
193.05000	4.6
205.04965	4.6
209.11772	14.9
211.13383	4.1
223.06107	4.0
227.12802	4.7
255.02895	2.0
283.02448	1.7
284.03189	4.4
285.04089	12.6
286.04373	2.4
289.07230	4.1
299.05579	3.3
301.07098	8.3
301.27405	2.4
319.67337	1.9
327.21689	2.6
445.20508	2.1
445.31628	2.0
463.32864	12.4
571.34875	2.4
607.36969	84.9
608.37738	8.3
625.38037	76.8
625.48468	2.9
626.38300	12.1
651.40601	2.5
667.39197	28.6
668.39673	3.0
711.33911	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	711.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25206	0.7
59.01239	0.9
70.67540	0.8
71.01273	1.2
71.09773	0.9
71.10110	1.4
83.01269	1.4
85.02834	1.9
96.95872	0.8
107.01279	1.5
109.02871	1.8
151.00287	5.7
163.00272	0.9
163.04054	1.1
173.04474	1.1
175.00238	1.2
178.99721	1.3
191.05496	4.1
199.03946	2.5
203.75746	0.8
227.03452	3.3
243.02962	4.4
255.02937	1.3
271.02481	54.6
272.02927	3.6
299.01962	100.0
300.02548	20.9
301.03522	29.3
302.03741	1.4
351.05905	0.8
428.68793	0.9
459.66843	0.9
462.07980	16.0
463.08838	8.7
505.09906	9.9
506.10129	1.7
594.47345	0.9
667.15155	62.8
668.15479	10.3
744.13068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03327	0.6
59.01249	100.0
60.01594	1.0
69.03319	0.4
71.01250	10.0
72.99173	0.8
73.02814	3.6
75.00724	0.5
83.01254	1.4
85.02818	7.9
87.00766	1.1
89.02320	1.6
93.03346	1.2
95.01273	1.2
96.95915	1.1
99.00771	1.6
101.02322	8.2
107.04940	0.6
109.02870	0.4
113.02321	3.9
125.02369	0.7
129.01805	0.8
134.03641	0.5
135.04463	0.9
137.02310	0.8
143.03467	0.5
149.02348	1.4
149.24203	0.4
150.03085	0.7
151.00307	1.1
152.01009	0.5
153.01904	0.5
159.02959	0.9
160.03946	7.1
160.05151	0.7
161.02412	0.4
161.04424	3.9
173.04517	1.0
175.00278	0.4
175.03891	0.8
179.03395	0.6
190.02704	0.4
191.01860	1.0
191.05534	4.4
192.12602	0.4
199.00482	0.6
209.02960	2.8
256.03973	0.4
269.10291	11.4
270.10745	0.5
271.02536	0.7
271.09756	0.5
284.03256	1.0
285.04050	2.6
292.60568	0.4
300.02792	1.7
301.03476	4.9
311.11285	5.0
333.73141	0.4
463.08960	1.2
505.09711	3.4
506.10590	0.6
667.15259	0.7
711.19006	1.6
712.19159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
58.00481	0.6
59.00982	0.6
59.01249	6.5
69.03328	0.7
71.01254	6.4
73.02823	1.5
74.11699	0.4
83.01242	1.0
83.04888	0.7
85.02819	1.8
87.00723	0.9
89.02319	4.3
93.99371	0.4
95.01223	0.5
95.04917	0.9
97.06460	4.1
98.19791	0.8
101.02320	4.6
101.42533	0.5
108.68049	0.5
113.02344	2.2
119.03374	1.6
143.03415	0.7
149.09668	0.4
151.11180	13.7
152.11516	0.5
161.04497	1.1
169.12250	100.0
170.12601	4.2
179.05544	0.5
195.10310	2.1
211.13400	0.4
213.11253	12.6
214.11513	0.5
235.08163	1.5
253.09309	3.2
277.21710	26.0
278.22018	2.0
279.23245	0.8
344.57941	0.5
431.19260	2.6
449.20261	9.5
450.20819	0.7
497.15692	0.5
547.37024	0.4
692.42700	0.6
709.41638	76.8
710.41992	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	709.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25463	0.5
55.01740	0.9
57.03328	2.7
58.00480	0.7
59.01250	7.9
61.98704	3.5
70.44966	1.9
71.01253	6.5
72.99199	1.0
73.02822	1.9
78.95782	1.2
81.03303	0.7
83.01252	0.7
83.04904	2.0
85.02827	2.6
87.00734	2.5
89.02293	3.1
95.04893	2.8
97.06462	8.5
99.00758	0.9
101.02319	5.9
113.02331	3.3
119.03391	1.3
133.10080	1.0
145.04979	1.1
151.11182	25.3
152.11505	0.6
152.99535	0.6
161.04449	2.3
169.12247	64.9
170.12590	3.2
195.10240	4.4
213.11244	11.8
214.11676	1.0
235.08226	2.1
253.09256	4.1
277.21707	76.8
278.22073	6.5
279.22986	0.6
317.35730	0.6
431.19067	4.2
449.20197	4.1
453.16330	0.6
466.83856	0.7
709.41650	100.0
710.42059	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	709.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	22.2
67.62572	1.8
70.86962	3.3
71.01236	8.6
73.02814	2.1
78.95767	2.1
82.26546	1.7
83.04868	1.9
85.02801	3.6
87.00748	3.0
89.02305	3.1
95.76303	1.9
96.95897	9.1
100.27067	1.7
101.02307	5.0
109.06444	5.6
113.02309	3.4
118.37550	1.7
125.09571	2.6
155.10648	3.6
161.04521	3.1
163.11205	4.4
171.10193	12.6
181.08617	3.9
183.13858	11.8
185.11824	1.9
197.11771	2.6
199.09680	34.0
207.10181	13.7
209.11722	5.3
211.13336	100.0
212.13649	5.5
225.11252	10.7
235.08101	7.4
245.11459	1.8
253.09222	11.9
309.20709	2.0
325.19983	2.3
373.23880	2.1
373.61697	1.7
375.21625	4.5
393.51086	1.8
401.23340	4.5
409.90417	2.0
435.18552	5.5
447.22305	8.8
462.42813	2.1
593.29388	3.6
611.30774	5.3
629.31433	3.3
637.32623	5.1
655.33374	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	709.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.4
59.01250	19.7
61.98707	2.4
62.60182	0.7
64.53557	0.7
68.27571	0.9
69.03321	1.2
69.35690	2.1
69.36092	5.8
71.01251	12.4
72.99190	1.7
73.02824	3.6
75.00735	2.7
77.42207	0.8
78.95806	1.4
79.68022	0.8
81.03377	0.9
83.01265	1.7
83.04910	3.0
85.02813	5.7
86.46195	0.8
86.53664	0.8
87.00768	1.8
89.02294	5.8
93.03326	2.5
95.01260	1.6
95.04925	0.9
96.95897	3.4
97.02848	1.0
99.00756	1.6
101.02316	6.4
103.03846	0.9
108.02071	1.3
109.02797	1.0
109.06445	0.8
113.02338	7.9
118.29613	1.1
119.03404	1.4
121.02838	3.3
125.02353	2.4
128.21820	0.9
134.03642	2.7
135.04414	1.7
137.02359	3.1
141.04012	1.2
143.03366	1.0
149.02339	3.0
149.05951	1.0
151.00243	1.6
152.00983	2.0
153.01814	2.2
160.01555	2.0
161.02306	1.1
161.04449	1.9
164.04688	1.4
165.01860	1.6
165.05545	1.2
165.09125	0.9
165.12790	1.3
167.03410	1.0
171.10149	1.9
175.00307	2.6
175.03931	2.6
179.05518	1.1
190.02664	4.9
191.03442	1.3
191.05499	1.0
193.04988	2.5
196.25450	0.8
203.10791	1.0
205.05069	4.0
209.11778	100.0
210.12111	6.0
211.13425	1.6
223.06148	1.2
225.11465	1.1
227.12843	27.9
235.08192	3.8
243.06534	1.9
253.09235	6.7
255.02913	1.4
256.03647	1.9
267.07172	1.3
284.03265	47.9
285.03839	11.2
299.05591	50.6
300.02887	1.6
300.05960	5.3
309.20657	1.2
311.22058	1.0
445.20688	4.4
605.36407	1.1
607.36749	1.3
637.32654	2.4
641.34790	0.8
709.31934	18.6
710.32635	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	709.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.4
61.98681	1.8
63.41441	1.2
65.50210	1.1
68.31376	1.1
68.62810	1.1
69.56396	7.0
69.56815	2.6
71.01252	9.3
73.02827	4.3
78.95769	2.0
83.04887	2.1
85.02804	2.5
87.00744	3.0
89.02302	6.2
96.95879	6.8
97.02825	2.2
97.06467	1.6
98.20517	2.5
99.00779	1.6
101.02287	6.7
109.06467	7.2
113.02316	4.9
116.67187	1.0
119.03352	1.5
123.08052	1.8
125.09620	1.9
135.08049	1.9
137.09639	2.5
153.09114	1.9
155.10654	3.0
161.04509	2.9
163.11223	3.5
165.12737	1.7
171.10202	11.4
179.05598	1.4
181.08635	3.5
181.12112	1.4
183.13837	13.9
193.12334	1.7
197.11768	1.6
199.09686	48.3
200.09995	2.1
201.11227	1.3
207.10213	20.2
209.11740	12.4
211.13335	100.0
212.13681	4.4
215.12825	2.8
225.11255	17.0
227.12787	3.6
235.08154	6.5
240.80209	1.2
253.09238	11.0
291.19513	1.5
331.22699	1.6
373.24011	1.9
375.21722	5.5
383.21970	1.4
391.25131	2.6
401.23233	5.1
417.17142	1.5
419.24451	2.1
435.18884	7.9
447.22134	4.5
461.20389	3.5
556.25470	1.4
593.29846	4.7
611.30884	6.7
629.31726	6.1
637.32111	4.6
655.33533	8.3
673.33905	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	709.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79597	6.7
57.10397	6.1
59.01251	95.7
61.98677	9.7
70.10883	12.8
70.11268	12.2
71.01241	26.6
73.02803	9.2
78.95776	11.5
87.00767	7.1
89.02302	12.1
96.95873	9.5
98.19830	6.0
101.02292	15.0
101.54084	6.7
135.50826	5.6
160.31844	5.8
161.04488	7.3
171.10179	16.6
183.13824	45.6
190.89375	6.0
197.11745	17.1
199.09724	42.9
204.92993	6.4
207.10168	23.5
209.11742	43.6
211.13327	100.0
225.11249	29.7
227.12825	20.1
235.08119	14.0
253.09180	16.5
276.55862	6.5
277.22092	7.1
279.23306	7.4
291.20041	8.4
343.07111	5.8
357.84589	6.7
435.18417	16.0
440.27115	6.1
461.20450	9.8
478.98657	6.6
581.38336	8.0
593.29138	9.8
611.29803	6.7
629.31750	11.2
635.62708	6.3
637.32178	8.7
655.33160	12.6
659.06750	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	709.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30369	0.1
59.01238	0.5
59.86282	0.2
61.59075	0.2
63.01963	0.3
63.02260	1.8
63.02567	0.2
63.20066	0.2
65.00172	0.9
68.29481	0.2
69.38876	1.3
71.01262	0.5
75.00725	0.2
83.01267	0.3
85.02836	0.4
89.02338	0.3
93.03345	0.4
96.95873	0.3
97.02028	0.2
105.03362	0.2
107.01272	1.9
109.02840	0.2
113.02321	0.1
117.03346	3.4
117.04179	0.2
119.04920	0.1
121.02859	0.3
123.00780	0.1
133.02773	0.2
135.04404	0.6
147.04407	0.1
149.02318	1.0
151.00258	1.2
155.04935	0.2
157.06419	0.2
159.04442	1.4
161.02354	1.3
169.06506	0.6
171.04512	0.1
179.03432	0.4
181.06509	0.6
183.04413	1.1
191.05502	0.4
196.05241	0.4
197.05989	1.1
199.03865	0.4
201.05566	0.8
203.03445	0.2
211.04060	0.2
211.72881	0.2
224.04782	0.3
225.05525	1.7
226.05913	0.2
227.03456	0.6
239.03458	0.4
240.04132	0.4
241.04988	0.2
267.02777	0.2
268.01520	0.1
268.03748	7.0
269.04529	100.0
270.04874	6.2
293.04559	0.3
311.05536	0.2
443.09714	0.2
461.20462	0.1
577.15582	0.5
619.42017	0.2
709.19769	33.9
710.20093	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	709.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
61.98705	0.3
63.02266	1.4
65.00185	1.1
71.01249	1.2
73.02831	0.4
75.00753	0.2
75.94843	0.1
76.21846	0.2
76.49840	0.2
81.03336	0.2
83.01267	0.7
85.02836	0.6
86.93044	0.2
87.00761	0.3
89.02322	0.6
93.03315	0.4
95.01263	0.2
96.95870	0.5
98.03681	0.1
98.19798	0.3
99.00815	0.2
101.02311	0.7
105.03348	0.4
107.01266	2.0
108.02077	0.2
109.02827	1.5
113.02337	0.6
118.71191	0.1
119.03362	0.2
119.04952	0.2
121.02835	1.1
123.04401	0.2
125.02350	0.5
130.45752	0.2
132.02069	1.3
133.02846	7.0
134.03696	0.9
135.00734	0.2
135.04413	0.4
137.02328	0.3
141.04036	0.3
143.04903	0.2
145.02890	0.2
147.04370	0.2
149.02335	2.6
149.05952	0.2
150.03087	0.2
151.00264	4.4
151.03857	0.3
153.01793	0.2
155.29251	0.2
160.01572	4.1
161.02345	1.2
161.04457	0.3
161.05833	0.2
164.04645	0.2
169.01300	0.3
169.06505	0.2
171.04402	0.4
171.10234	0.2
173.06001	0.2
175.03918	4.3
176.04288	0.3
177.01823	0.5
185.05994	0.5
189.05428	0.4
190.02545	0.3
193.04942	0.4
197.06001	0.3
198.03189	0.5
199.03902	2.4
200.04233	0.2
201.01823	1.0
205.05040	0.2
211.03935	0.5
211.13312	0.2
212.04744	0.2
213.05464	0.6
215.03415	0.4
217.05002	1.5
223.04041	0.3
223.06110	0.5
224.04288	0.2
224.18427	0.2
227.03525	0.2
229.05049	0.4
239.03448	0.3
240.04170	0.3
241.05051	1.2
243.02988	1.0
255.03023	0.3
256.03702	0.6
257.04559	0.6
267.03030	0.3
267.07281	0.3
283.02335	0.2
284.03250	9.8
285.04019	100.0
286.04373	6.5
291.19711	0.2
299.05588	19.1
300.05963	1.4
309.20685	0.7
310.21005	0.7
311.21860	0.2
365.08801	0.5
415.14594	0.2
471.09341	0.4
489.10358	0.6
546.82477	0.2
623.13953	0.7
649.38202	0.2
665.15070	23.7
666.04065	0.3
666.15424	4.9
666.32996	0.2
709.35309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.3
58.91689	0.2
59.01249	4.7
61.04514	0.2
61.98697	0.6
63.02254	1.5
65.00182	1.3
67.58289	0.2
70.24503	0.6
71.01248	3.9
72.99171	0.5
73.02827	1.2
75.00729	0.3
81.03346	0.3
82.95284	0.3
83.01250	1.4
83.04893	0.2
85.02820	1.8
87.00745	0.7
89.02311	1.2
92.71844	0.2
93.03308	0.5
95.01271	0.6
95.04907	0.3
96.95898	1.3
97.02837	0.4
99.00755	0.7
101.02319	2.2
105.03348	0.7
107.01263	2.7
107.04875	0.2
108.02035	0.3
109.02824	2.0
111.00745	0.2
111.04348	0.3
113.02329	1.8
116.92706	0.3
119.03371	0.2
119.04899	0.6
121.02844	1.8
123.00760	0.3
123.04385	1.3
125.02337	0.9
132.02065	1.8
133.02841	7.6
134.03670	2.2
135.04411	1.2
137.02376	0.9
139.03914	0.2
141.04028	0.2
143.03412	0.3
145.02840	0.3
147.00749	0.2
147.04385	0.4
149.02348	6.1
149.05962	0.3
150.02838	0.2
151.00272	4.6
151.03932	0.3
152.00945	0.4
153.01836	1.3
160.01564	4.3
161.02377	1.6
161.04466	0.7
163.03912	0.7
164.04703	3.2
165.03902	0.2
165.05357	0.2
166.02563	0.2
167.04933	0.2
169.06538	0.2
171.04434	0.7
171.10170	0.6
173.04454	0.3
173.06009	0.5
175.00356	0.5
175.03920	5.7
176.04272	0.3
177.01787	0.9
179.03407	0.4
179.07024	0.5
185.06052	0.9
187.03984	0.3
189.05484	0.3
190.02632	1.0
191.03156	0.2
191.05486	0.3
193.04970	2.1
195.06567	0.4
198.03218	0.6
199.03914	3.0
201.01836	0.7
202.02574	0.3
205.04996	1.2
208.03629	0.4
209.11771	0.9
210.12158	0.3
211.03914	0.4
213.05534	0.8
215.03452	0.6
217.04968	1.4
223.04169	0.3
223.06058	7.1
224.06442	0.2
229.05002	0.4
239.03462	0.4
240.04283	0.3
241.05008	1.1
243.02861	0.9
255.03018	0.6
256.03662	0.5
257.04535	0.6
267.03030	0.5
267.07214	0.5
269.04572	0.3
269.10303	0.2
283.02316	0.3
284.03256	10.1
285.04019	100.0
286.01160	0.4
286.04364	7.6
287.05405	0.2
299.05594	20.9
300.05902	1.5
302.21695	0.2
309.30563	0.2
337.09470	0.3
365.08746	0.8
469.14981	0.2
471.09238	0.4
483.19257	0.3
487.32928	0.3
489.10110	0.5
505.33765	0.3
611.91614	0.2
649.38031	2.1
665.15082	25.8
666.15375	4.9
667.39026	1.5
709.31165	0.7
709.39526	0.2
721.51257	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03451	0.4
59.01248	3.5
63.59278	0.3
71.01252	3.3
71.15441	0.7
71.15777	0.3
73.02824	0.8
78.95772	1.0
83.04896	0.4
85.02832	0.8
87.00751	0.6
89.02306	2.5
95.01246	0.6
101.02312	2.4
113.02327	1.2
119.03394	0.5
125.02344	0.6
131.30313	0.4
145.04990	0.6
152.99532	0.9
161.04449	1.4
165.05417	0.4
171.10147	0.3
183.13834	5.1
193.12306	1.7
201.33000	0.4
207.10240	0.5
209.11787	1.3
210.12100	0.8
211.13327	76.2
212.13655	3.8
225.11078	0.4
235.08174	5.4
253.09224	8.4
254.09631	0.4
277.21698	100.0
278.22031	9.7
279.22537	0.5
292.15625	0.4
357.09079	0.4
429.21127	0.8
447.22107	1.5
471.16269	0.6
493.21643	0.4
500.24890	0.4
513.30511	0.7
707.37659	0.9
708.37946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.8
61.49566	0.8
62.70628	0.7
69.69225	4.8
71.01252	3.2
74.53432	0.8
78.95796	1.2
87.00714	0.9
89.02289	1.7
98.19835	0.8
101.02301	2.7
113.02297	1.3
117.56507	0.8
148.02507	0.8
149.05519	0.7
161.04456	1.3
183.13849	5.7
193.12369	1.0
211.13326	100.0
212.13684	5.2
235.08237	4.7
238.61044	0.9
253.09236	10.8
271.19180	0.8
277.21701	98.6
278.21988	10.7
279.22800	1.7
343.57016	0.8
367.59192	0.9
447.22183	3.1
499.20016	0.7
551.15637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82258	0.2
58.00473	0.2
58.63462	0.1
59.01249	3.2
67.58996	0.2
68.89048	0.2
69.03310	0.5
71.01252	2.7
71.34803	0.3
72.99209	0.2
73.02805	0.4
75.67124	0.2
83.01242	0.2
83.04913	0.2
85.02816	0.7
87.00756	0.6
89.02318	2.1
97.06462	0.2
97.85696	0.2
101.02308	2.2
106.16179	0.1
113.02320	1.0
119.03378	0.7
132.48584	0.1
133.86319	0.2
152.99573	0.2
155.10600	0.2
161.04457	1.0
165.12735	0.3
167.10692	0.2
167.14351	0.9
179.05536	0.5
183.13832	7.3
184.14200	0.2
193.12242	1.8
205.19545	0.2
211.13324	100.0
212.13664	5.0
233.22687	0.2
235.08183	1.6
253.09242	6.9
254.09534	0.2
277.21707	53.5
278.22049	4.9
284.16907	0.2
429.21295	0.6
447.22311	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	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98281	0.2
57.07434	0.2
59.01241	3.2
69.03309	0.6
69.70446	1.2
71.01250	3.1
73.02834	0.3
78.95774	0.8
83.01292	0.2
83.04867	0.4
85.02814	0.7
85.07013	0.3
89.02312	2.0
89.74424	0.2
91.84161	0.2
93.11842	0.2
97.02824	0.3
98.20505	0.3
101.02317	2.8
108.16055	0.2
110.59465	0.3
110.92949	0.3
113.02322	1.0
119.03353	0.3
152.99495	0.8
161.04463	1.1
165.12755	0.3
167.10707	0.3
167.14304	0.6
179.05467	0.3
183.13806	6.7
184.14194	0.3
193.12274	1.5
207.10269	0.3
209.11720	1.8
210.12079	0.8
211.13322	100.0
212.13654	5.3
225.11230	0.5
235.08203	1.2
253.09242	5.9
254.09505	0.4
277.21701	51.8
278.22043	5.6
279.22437	0.7
429.21399	0.5
447.22198	3.3
471.16339	0.5
615.97083	0.3
707.38049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.0
56.23573	0.3
57.03322	2.3
57.87644	0.2
58.00456	1.6
59.01249	20.7
61.98680	1.2
67.66322	0.3
69.03330	2.0
69.24979	0.8
69.25388	2.2
71.01251	18.1
71.04890	1.2
72.99171	2.1
73.02824	3.1
75.00733	0.9
78.95757	0.3
81.03328	1.1
83.01264	2.1
83.04887	1.7
85.02821	5.4
85.06469	1.1
87.00747	3.4
87.04379	0.7
89.02311	15.0
89.53335	0.3
91.03871	0.5
92.51396	0.3
93.03331	0.6
95.01259	1.3
95.04916	0.3
96.95893	2.3
97.02837	3.3
97.06470	0.6
98.95457	0.3
99.00745	1.9
99.04397	0.6
101.02317	11.8
108.02065	0.3
109.02856	0.7
109.06480	1.7
111.00742	0.8
111.04380	1.4
111.08037	5.6
112.01552	0.3
113.02333	6.6
114.02634	0.3
115.03905	0.3
119.03402	4.1
119.04872	0.5
121.02834	0.8
121.65173	0.3
123.00759	0.3
123.04414	0.3
125.02320	4.1
125.05935	0.4
125.09604	0.4
127.03833	0.4
127.07536	0.9
131.03387	0.9
132.02103	0.3
133.04926	0.5
134.03615	1.1
137.02345	1.0
137.09567	0.6
139.03888	0.5
143.03404	2.0
147.04424	0.5
149.02339	1.5
149.04427	0.6
150.03078	0.5
151.00238	0.4
151.03918	0.6
151.07607	0.4
152.01003	0.4
153.01811	0.6
153.95306	0.3
160.01543	0.8
160.03975	0.6
161.02255	0.5
161.04485	2.4
163.03918	1.0
163.11209	0.4
164.04701	0.9
165.05411	0.5
165.54008	0.3
167.10632	0.8
169.12263	2.0
171.10170	3.2
175.00311	0.4
175.03911	0.9
179.05519	3.9
179.06967	0.5
179.10675	0.5
179.14340	0.9
181.12283	1.6
183.13834	1.8
185.04468	0.4
190.02608	1.0
191.05638	0.4
193.04988	1.1
193.12271	0.5
194.68381	0.3
195.06580	0.6
195.12044	0.3
195.13841	6.9
197.11761	22.6
198.12091	1.1
199.13307	1.3
201.11230	1.4
205.05017	0.8
205.12254	0.6
207.03163	0.3
207.10179	1.1
209.11752	4.3
210.12128	0.5
211.13333	5.1
217.09833	0.5
217.15984	0.4
221.06586	0.9
221.15411	4.3
223.06039	1.9
223.13318	2.4
225.11230	1.1
227.12859	1.6
229.19510	0.4
233.15378	0.7
235.08157	3.0
235.16904	0.4
239.16428	1.0
247.10822	1.0
247.20651	1.0
249.05870	0.4
251.11903	1.4
251.16428	0.6
253.09209	2.1
263.07669	0.6
263.20166	1.7
265.18018	0.6
267.07037	1.5
273.18658	0.6
285.03967	0.8
287.07852	0.5
291.19650	18.2
292.20004	1.6
293.12949	0.9
301.03748	0.4
305.08774	0.8
309.20691	100.0
310.21051	9.0
323.09720	0.5
337.09189	0.3
343.11810	0.3
369.14398	1.0
397.13483	13.2
398.13928	0.9
415.14545	27.2
416.14981	1.9
461.20071	0.6
483.18240	0.4
663.33734	0.3
689.33478	0.7
707.34717	2.9
708.36279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13685	0.4
55.01755	1.0
56.86440	0.4
57.03322	1.8
58.00458	1.8
59.01250	32.1
60.01592	0.4
63.91520	0.4
65.22450	0.4
69.03316	3.7
71.01251	22.8
71.04897	0.5
72.99176	1.4
73.02817	4.1
75.00746	1.0
76.40300	0.4
79.92033	0.4
81.03327	1.4
83.01252	2.4
83.04884	1.4
83.42254	0.4
85.02819	4.6
86.88596	0.4
87.00745	4.2
89.02313	25.5
91.03866	0.5
93.03351	0.5
95.01264	1.6
95.04884	0.6
97.02829	9.6
97.06471	0.6
97.79504	0.5
98.20572	0.9
99.00764	1.6
101.02316	19.2
109.02804	0.5
109.06486	0.8
111.00745	0.5
111.04406	1.0
111.08051	3.7
113.02328	9.7
114.02660	0.5
119.03394	6.5
119.08535	0.7
121.02840	0.7
121.10143	0.7
123.04356	0.7
123.07991	0.8
125.02328	5.3
125.09614	2.3
131.03387	1.5
133.04897	0.5
137.09610	2.7
143.03394	3.0
149.02361	0.5
149.04507	0.8
151.11169	0.7
161.04469	4.1
163.11171	2.1
165.12764	6.3
166.13071	0.6
167.03416	0.5
169.12250	1.8
171.10149	5.9
175.03838	0.6
179.05528	4.5
179.14317	0.7
181.12234	1.6
183.13795	1.4
185.04553	0.6
185.11758	1.1
192.94962	0.4
193.12239	1.0
193.15843	0.8
197.11765	15.4
198.12039	0.6
199.13329	0.7
209.11734	3.3
211.13403	2.9
221.06557	1.2
223.13322	1.8
227.12766	3.7
228.13116	0.6
235.08185	6.5
247.20618	4.1
253.09329	1.5
263.07654	0.8
263.20157	0.8
273.18539	1.8
287.07767	1.0
291.19650	39.1
292.20090	2.7
305.08755	1.2
309.20688	100.0
310.21011	8.9
323.09753	0.9
397.13483	32.7
398.13736	3.2
415.14554	35.1
416.14954	2.6
514.72992	0.5
707.34430	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	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.9
55.84318	0.3
57.03316	0.9
58.00461	2.0
58.01625	0.3
59.01247	24.1
61.98688	0.4
65.34407	0.3
69.03343	1.7
71.01252	17.9
72.01597	0.5
72.99190	0.9
73.02809	2.4
73.79390	0.4
75.00772	0.5
76.96622	0.3
81.03339	0.8
83.01250	1.9
83.04895	0.6
85.02824	4.2
87.00743	4.0
89.02313	18.2
93.03338	0.4
95.01270	1.3
95.04925	0.4
96.95889	0.4
97.02835	2.8
97.06492	0.5
99.00764	1.0
101.02319	12.8
109.02840	0.4
109.06501	1.0
111.08045	13.4
113.02330	7.1
119.03383	4.7
120.08173	0.3
125.02314	4.4
127.07555	0.7
131.03415	1.0
133.10083	0.4
139.03923	0.4
143.03383	2.8
149.02415	0.5
149.04445	0.6
151.11223	0.7
153.09087	0.4
153.12741	1.3
161.04478	3.4
169.12245	6.0
171.10156	0.5
179.05502	4.0
179.10616	0.4
181.12260	1.0
183.13817	1.0
190.52090	0.4
193.12277	0.7
194.71463	0.3
197.11757	63.5
198.12126	3.9
199.13365	3.6
209.11729	0.9
211.13339	6.5
221.06642	1.2
225.14879	0.7
227.12857	1.6
235.08176	4.3
236.08835	0.4
247.17026	0.3
247.20764	0.4
248.20853	0.3
253.09244	2.0
263.07687	1.0
263.20050	2.6
264.42279	0.4
265.18042	1.8
273.18527	0.9
287.07541	0.9
291.19638	14.7
292.20013	1.1
302.22385	0.5
305.08762	1.1
309.20685	100.0
310.21057	8.3
323.09952	0.7
348.57260	0.4
397.13489	24.3
398.13876	1.6
415.14551	32.5
416.14893	2.7
460.47482	0.4
686.64191	0.4
686.78827	0.4
707.34924	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	707.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03323	2.1
57.23826	0.4
58.00457	1.7
59.01250	32.3
61.98692	2.3
67.01773	0.6
69.03323	2.0
69.51737	1.1
69.52168	2.2
71.01254	25.5
72.01580	0.6
72.99160	2.4
73.02821	4.3
75.00745	1.2
78.95778	1.2
81.03335	1.3
83.01256	3.0
83.04881	1.6
85.02825	6.2
85.99969	0.5
87.00755	5.2
89.02316	25.9
93.03329	1.0
95.01276	2.1
95.04884	1.8
96.95880	2.3
97.02840	4.4
97.06461	0.4
99.00772	2.0
99.04366	0.5
101.02324	24.7
109.02847	0.8
109.06474	0.8
111.00732	0.8
111.04411	1.2
111.08047	10.4
112.01548	0.5
113.02336	9.3
113.09569	0.5
119.03392	9.2
121.02803	0.6
121.06431	0.5
124.01559	0.5
125.02335	6.2
131.03377	1.5
133.04956	0.6
134.24428	0.4
135.11668	0.5
137.02388	0.5
137.09598	1.0
139.03905	0.5
141.09094	0.5
143.03412	3.6
149.02335	0.5
149.04451	1.2
149.09612	0.6
152.99484	0.5
153.01842	0.4
161.04482	5.0
167.03310	0.5
167.10715	2.3
169.05183	0.5
171.10205	1.0
175.04012	0.5
177.12752	1.6
179.05556	5.7
179.10750	1.4
185.04477	0.8
190.02545	0.5
191.05479	0.7
193.04953	0.7
195.04506	0.4
195.13841	7.2
197.11699	1.7
197.13293	0.4
202.15878	0.4
203.14507	0.5
209.11778	1.5
211.13248	0.8
217.07115	0.7
218.03337	0.6
221.06599	1.5
223.06021	0.5
223.13289	0.5
225.11359	0.7
235.08209	6.8
245.06532	0.5
247.20659	3.2
253.09280	2.4
263.07712	1.6
269.04327	0.5
273.18555	1.8
273.40027	0.5
275.20203	0.8
277.09323	0.5
285.03839	0.6
286.75925	0.5
287.07721	0.8
291.19659	100.0
292.20004	8.6
305.08655	0.5
309.20862	3.0
338.05090	0.5
379.12469	0.6
397.13492	15.4
398.14029	1.3
415.14563	14.2
416.14548	0.8
551.74030	0.5
707.34674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.6
57.03318	2.8
57.97218	1.0
59.01250	39.5
61.98698	7.4
69.03323	2.8
69.33170	1.0
71.01247	30.2
71.59148	1.7
72.99184	5.1
73.02794	6.2
75.00755	4.5
78.95790	2.1
81.03339	1.5
83.01268	3.4
83.04908	1.4
85.02827	11.6
86.75942	1.0
87.00758	5.0
88.98691	4.1
89.02319	26.0
93.03344	5.9
95.01263	2.5
96.95921	2.4
97.02833	3.6
97.06470	2.3
99.00758	4.5
99.04404	1.5
101.02320	19.6
108.02058	2.1
109.02859	1.9
109.14149	1.3
111.08072	1.4
113.02345	12.4
113.09586	1.3
119.03352	7.1
121.02884	1.8
123.04439	1.2
123.08087	1.6
125.02319	6.1
125.09618	1.6
131.03384	1.6
134.03648	2.7
136.04219	1.2
137.02319	6.4
137.09677	1.2
139.03925	1.3
143.03386	2.5
149.02318	3.3
149.06062	1.3
152.01019	1.4
153.09084	1.4
153.12744	1.2
158.72330	1.0
160.01645	1.3
161.02341	3.0
161.04483	4.0
163.03957	1.9
163.11224	2.7
164.04694	2.6
165.05424	1.3
165.12772	4.7
165.53622	1.2
167.10715	1.3
167.14392	1.5
171.10201	4.5
175.03929	1.4
179.05568	2.7
179.07066	1.6
181.12225	4.2
183.13834	7.7
185.11650	2.2
190.02657	2.8
190.06418	1.2
191.05556	2.6
193.05025	2.3
193.12192	1.9
197.11743	1.7
199.09660	1.5
199.13475	1.4
201.11287	2.3
205.04974	2.7
207.10272	3.4
209.11745	16.5
210.12115	2.6
211.13356	6.4
223.06128	3.7
225.11324	5.4
227.12831	5.2
229.59344	1.1
235.08229	4.7
247.20660	3.8
253.09218	3.3
267.07251	1.3
269.04800	1.3
273.18460	2.1
281.20950	1.5
284.03302	1.9
285.03955	2.5
289.18130	2.4
290.18359	2.0
291.19656	28.4
292.19971	4.2
297.30536	1.1
299.05643	3.4
305.08780	1.7
307.19223	2.0
308.19516	1.9
309.20694	100.0
310.21060	11.0
386.50174	1.2
397.13531	22.8
398.13797	3.3
399.13641	1.3
415.14572	20.4
416.14981	2.0
445.21042	3.1
579.31708	1.3
627.36206	1.3
653.33173	1.7
671.32709	2.0
689.33160	1.3
707.35034	26.4
708.35413	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	707.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03320	0.8
58.00481	0.3
58.56657	0.2
59.01248	100.0
60.01582	1.0
67.01763	0.3
69.03331	0.4
71.01250	9.1
71.57945	0.3
72.99207	0.8
73.02818	3.5
75.00768	0.2
83.01261	1.9
85.02824	5.9
87.00738	1.5
89.02320	2.2
93.03343	2.7
95.01283	0.7
96.95892	1.7
97.02821	0.4
99.00744	1.5
101.02317	9.4
108.02086	0.4
109.02861	0.5
111.00790	0.5
111.04419	0.6
113.02328	4.9
115.00290	0.3
117.03371	0.3
117.65842	0.2
119.03397	0.6
119.04915	1.0
121.02868	0.3
123.04420	0.4
125.02316	0.7
127.03928	0.4
129.01826	0.9
133.02753	0.3
134.03662	0.4
135.04446	0.7
137.02350	0.9
138.06819	0.4
139.07570	0.3
143.03410	0.6
143.04956	0.4
145.02888	0.3
149.02356	0.3
149.05983	0.3
151.07561	0.3
152.08394	0.7
153.01743	0.3
153.05482	0.2
153.09129	2.1
155.03517	0.4
159.02930	0.9
159.04272	0.3
161.02420	0.4
161.04462	4.2
163.03920	1.2
165.05542	0.3
173.04486	2.3
175.03970	0.3
179.03400	0.4
179.05565	0.6
191.05525	11.1
192.05836	1.7
193.06042	0.9
205.03500	0.2
205.12320	1.0
211.07599	0.3
223.13368	1.3
235.11830	18.1
236.12236	1.0
241.08472	0.3
242.05844	0.2
243.06706	0.3
277.06992	0.4
277.12918	9.2
278.13290	0.5
279.06769	0.3
279.10889	0.4
293.04510	0.3
311.10547	0.2
321.12000	0.8
321.15683	0.5
327.08640	1.2
336.08740	0.4
337.09262	0.3
353.08746	0.5
357.09909	0.9
358.10321	0.9
359.10480	0.9
365.06958	0.2
385.18695	1.8
386.18909	0.3
393.11075	0.2
442.85083	0.3
501.14093	0.3
515.12689	0.3
533.14758	0.4
707.19330	2.8
708.21179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.2
59.01237	0.9
60.11749	0.1
60.99165	0.2
63.44576	0.1
67.01753	0.4
67.14209	0.1
67.57924	0.1
69.03334	0.2
69.93458	0.6
71.01257	0.6
72.83167	0.1
73.02830	0.2
73.39014	0.1
81.03335	0.3
83.04904	0.2
85.02821	6.5
87.00744	1.3
93.03334	3.4
94.03659	0.2
96.86208	0.1
98.20584	0.1
98.87143	0.1
99.04378	0.2
108.02060	0.1
109.02821	0.8
109.16286	0.1
111.00715	0.1
111.04398	1.0
111.95581	0.1
115.00243	0.2
116.37143	0.1
119.04915	0.1
125.02390	0.2
127.03904	1.5
128.36913	0.1
129.01839	0.3
133.02859	0.8
134.03711	0.2
135.04408	1.4
137.02322	0.2
155.03383	0.3
161.02333	1.7
171.02892	0.6
171.52917	0.1
173.04460	2.0
174.04810	0.1
177.01947	0.2
179.03430	0.8
180.03824	0.1
191.05531	100.0
192.05865	3.4
242.05795	0.3
243.06647	0.2
271.09790	0.3
297.07547	0.3
327.08878	0.3
351.07199	0.3
352.07300	0.1
353.08746	12.1
354.09219	0.9
359.07544	0.1
367.06366	0.2
533.13147	0.4
707.17963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29669	2.8
51.79592	2.7
58.49180	2.6
70.86945	7.3
72.28176	3.1
85.02820	4.5
87.75319	3.1
99.31047	2.6
99.31802	2.7
133.02884	5.6
134.03584	3.8
135.04401	42.0
149.14456	3.2
161.02307	4.1
173.04454	6.5
179.03407	41.8
180.03630	3.8
191.05531	100.0
353.08734	67.1
354.09058	7.2
472.83282	3.2
733.25989	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	707.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.4
71.01247	0.5
71.58395	0.2
79.95608	2.9
80.74844	0.2
85.02821	0.4
92.01732	0.1
93.03322	0.4
96.95888	100.0
97.95805	0.3
101.49974	0.1
109.02807	0.3
111.00776	0.2
119.04871	0.2
125.02342	0.3
129.01846	0.3
137.02287	0.3
139.00230	0.2
145.02786	0.2
149.02354	0.2
151.00304	0.2
153.01894	0.3
161.02409	0.1
163.03926	0.2
173.04485	0.7
177.01860	0.2
178.99815	0.2
179.03473	0.2
191.05498	1.1
192.67946	0.1
198.30020	0.2
218.36708	0.1
218.84308	0.2
243.03011	0.2
271.02490	0.4
300.02679	0.8
301.03351	0.3
327.08783	0.2
347.14853	0.2
463.13861	0.1
502.79663	0.2
521.20538	0.2
602.40472	0.2
609.14514	1.0
610.15063	0.3
707.20062	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.8
58.70367	0.5
59.01249	11.8
61.98701	1.6
64.22314	0.6
69.03313	1.2
69.25102	3.2
69.25529	3.6
71.01254	8.8
72.99168	0.7
73.02834	1.3
75.00752	2.0
80.02569	0.7
81.03339	1.2
83.01241	1.5
83.04900	4.6
84.02041	1.1
85.02823	4.4
87.00730	1.7
89.02313	4.3
93.03335	0.9
93.84388	0.6
95.01270	1.0
95.04901	0.9
96.95876	1.5
97.02840	1.0
97.06390	0.6
99.00749	1.8
101.02319	4.2
103.36657	0.6
108.02057	0.8
109.06473	0.7
113.02325	4.4
117.45268	0.5
119.03378	1.5
121.02897	0.6
123.04460	0.8
125.02347	1.5
125.06020	0.6
125.09641	0.8
126.39458	0.5
127.03865	0.6
130.41060	0.5
134.03645	1.4
135.08060	0.8
145.39557	0.7
148.05193	0.8
149.02362	2.3
150.03104	0.7
153.01802	1.1
161.04453	1.2
163.04010	0.8
163.11162	2.5
164.04648	1.4
165.12715	2.4
167.03380	0.9
169.12222	3.1
171.10165	4.2
179.05519	0.8
181.12288	0.7
190.02646	1.4
191.10629	1.2
193.04958	1.1
199.13268	1.2
203.10710	2.2
205.04985	1.0
207.10123	1.2
209.11761	100.0
210.12103	5.0
211.13277	1.7
223.06030	2.1
225.11298	2.2
227.12843	15.1
228.13129	1.0
235.08189	2.6
249.06039	0.8
253.09267	5.8
267.07080	1.0
285.04022	1.3
289.18088	0.9
293.21277	0.8
307.19128	1.9
318.66446	0.6
346.02835	0.6
397.13480	0.8
398.33743	0.6
437.23657	0.6
445.20673	1.2
468.30334	0.6
543.18451	1.7
639.24231	0.6
687.32379	1.0
705.33221	11.0
706.33820	2.4
731.36066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.8
58.00465	1.0
59.01245	11.4
61.98697	11.9
71.01253	9.3
71.04882	0.9
72.99178	0.9
73.02812	2.6
75.00741	1.0
80.02534	1.3
81.03345	1.7
83.01255	1.8
83.04892	7.8
84.02051	1.7
85.02824	3.2
87.00724	3.0
89.02328	6.9
93.03361	0.8
95.01280	1.4
95.04891	2.2
96.95906	0.7
97.02831	0.9
97.06458	1.4
99.00748	3.1
101.02313	7.4
107.04924	0.8
109.06493	1.3
111.08053	1.7
113.02306	3.2
114.17645	0.6
119.03416	2.1
125.02319	1.0
125.09572	0.9
129.10724	0.6
133.04932	0.9
135.08018	1.1
137.02325	1.0
145.04936	0.8
149.02357	0.7
161.04416	3.3
163.11186	6.5
165.12749	12.9
169.12244	1.1
171.10132	1.8
179.05464	0.7
181.12285	2.6
183.13817	100.0
184.14159	4.7
185.86505	0.7
191.10765	1.3
193.12468	0.7
197.11676	0.9
199.13351	3.6
207.10277	2.9
207.11969	0.6
209.11758	95.4
210.12109	6.8
211.13342	9.6
225.11272	6.5
227.12814	18.5
228.13332	1.0
235.08092	3.2
243.12321	0.9
253.09251	8.5
305.08777	0.7
307.19135	1.5
432.67859	0.7
445.20786	2.1
463.21866	5.1
464.22299	1.0
499.28958	1.3
581.47748	0.8
655.33466	2.8
673.34314	87.4
674.34674	16.7
705.37042	8.7
706.37445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83413	0.7
52.78984	0.7
55.01747	2.1
57.03323	6.8
58.00462	3.4
59.01252	50.8
61.98706	12.5
66.81351	0.7
67.01759	1.0
68.99684	1.1
69.03327	4.9
70.03182	2.5
70.03600	1.8
71.01251	51.2
71.04917	0.9
72.99174	4.6
73.02821	7.4
75.00738	1.7
78.95777	2.0
80.02547	1.0
80.96394	1.0
81.03326	4.0
83.01260	6.2
83.04893	4.7
85.02816	12.3
85.14217	0.7
85.46489	0.7
87.00756	11.0
88.98709	0.8
89.02317	43.0
90.02617	1.0
93.03323	1.4
95.01283	3.6
95.04882	3.1
96.95892	1.4
97.02830	6.2
97.06478	12.8
97.88092	0.8
99.00755	4.2
99.04394	1.2
101.02324	37.9
102.02637	0.7
106.04150	1.0
107.04852	0.8
107.08527	1.6
109.02817	2.7
109.06470	3.0
111.00754	1.8
111.04386	1.1
111.08041	4.7
112.01524	0.9
113.02333	18.9
119.03396	14.2
121.02821	1.1
121.06451	0.7
123.04385	1.9
123.08001	0.9
125.02325	13.0
125.09605	3.1
131.03394	2.3
133.04979	1.7
133.10181	1.0
134.03603	1.3
135.04410	1.5
135.08052	1.0
137.02345	2.4
137.09633	1.3
139.03877	1.6
141.01830	1.5
143.03401	7.4
147.11745	1.0
149.04442	1.8
149.09608	1.8
151.11191	12.2
153.01830	1.0
153.09128	1.1
153.12764	2.2
155.10638	4.4
161.04466	9.1
161.09698	0.7
161.81934	0.7
163.11142	3.8
165.05368	0.8
165.09160	1.0
165.12759	15.9
167.10706	2.2
169.05051	1.1
169.12254	4.0
171.10219	3.4
171.47739	0.8
177.09164	0.9
177.12737	2.1
179.03362	1.2
179.05573	8.7
179.10681	5.5
181.12263	15.9
183.13817	8.5
185.04367	1.1
185.11734	1.3
190.02730	0.9
191.10719	8.7
191.14304	2.6
192.11206	0.8
193.12186	1.1
197.11769	3.6
199.13312	2.5
201.11317	0.8
205.04985	1.2
205.12315	1.5
207.10132	2.4
209.11772	51.9
210.12035	2.5
211.13315	11.4
212.13789	0.9
221.06563	2.5
223.06219	1.0
225.11269	4.2
226.11934	1.1
227.12827	30.3
228.13228	1.7
235.08173	10.5
239.09172	0.9
243.12346	1.2
245.19101	12.2
246.19449	1.0
253.09297	4.2
261.18527	0.8
263.07736	3.8
263.20154	18.1
264.20502	1.2
271.16913	1.3
279.19598	2.5
287.07498	1.1
289.18082	23.7
290.18561	1.8
301.16705	1.3
305.08795	1.5
307.19144	100.0
308.19501	9.2
323.09738	1.0
341.23376	1.6
397.13489	44.7
398.13681	2.5
415.14584	37.0
416.14691	2.4
527.25720	0.8
589.25720	0.9
593.24194	2.0
607.26068	31.0
608.26013	3.7
615.70471	0.9
622.24683	2.3
673.34314	4.3
687.32111	1.8
705.33392	12.9
706.34418	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	705.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17892	0.4
53.62001	0.4
54.15526	0.5
55.01754	2.9
57.03322	4.4
58.00460	2.1
59.01248	57.0
60.01596	0.4
61.98713	1.1
67.01756	0.7
69.03320	4.4
69.43291	3.7
71.01250	40.6
71.04898	1.0
72.01591	0.6
72.99170	3.6
73.02814	5.9
73.66239	0.5
75.00759	1.4
80.02560	1.6
81.03323	3.8
83.01252	8.5
83.01706	0.6
83.04890	3.2
84.02055	0.9
85.02819	9.0
85.99978	0.6
86.78625	0.4
87.00751	9.1
87.04433	0.4
89.02316	42.3
91.03893	1.1
93.03342	0.9
95.01263	3.3
95.04893	2.6
97.02824	9.6
97.06465	5.3
98.19835	1.0
99.00757	4.5
100.78211	0.5
101.02319	34.9
102.02695	0.7
103.03866	0.5
103.37302	0.5
106.04150	0.5
107.04943	0.8
108.02058	0.7
109.02867	1.6
109.06477	2.6
110.03624	0.8
111.00754	0.6
111.04415	1.2
113.02324	16.8
113.66172	0.5
114.02658	0.7
119.03388	12.4
119.04890	0.5
119.08564	1.0
121.02853	1.2
121.06479	2.2
123.04404	4.6
123.08009	2.4
125.02342	11.6
125.05997	0.9
125.09605	9.5
129.01881	0.7
131.03383	2.3
133.04965	1.4
135.08061	1.7
136.05235	0.5
137.05957	1.1
137.09605	4.5
140.19214	0.5
141.01860	0.8
141.12762	1.4
142.02629	1.2
143.03387	6.5
145.06516	0.6
146.86391	0.5
149.04494	1.1
149.05980	1.3
149.09581	0.6
151.11224	0.7
160.08914	0.7
161.04451	8.2
161.09671	1.0
163.07587	1.0
163.11189	11.9
163.12480	0.9
164.08200	0.4
164.11626	0.6
165.09142	0.9
165.12776	2.5
167.03474	1.1
167.10735	1.1
171.10164	1.9
173.09560	0.5
175.11249	0.8
177.12782	0.7
179.05521	9.4
179.06906	0.3
179.10733	1.4
181.12238	4.3
183.13792	1.3
185.04480	1.0
185.11743	9.6
191.10722	1.8
191.14346	10.8
193.12231	1.1
195.10153	0.5
195.13998	0.5
197.11758	1.0
199.13293	2.5
207.10170	9.6
208.10568	1.1
209.11763	27.9
210.12099	1.4
211.13316	10.3
212.13643	0.6
217.07021	0.5
217.15871	1.2
219.05046	0.8
221.06573	2.6
225.11255	9.8
225.13290	0.8
226.11862	0.8
227.12857	2.3
229.15770	0.5
234.19728	0.5
235.08177	9.8
237.11282	8.7
238.11800	0.6
243.12358	2.6
243.17406	0.8
245.06767	0.6
245.19060	19.4
246.19350	1.1
247.17094	0.8
251.13016	0.6
253.09218	4.2
259.13376	0.6
259.75024	0.5
263.07751	1.9
263.20108	4.9
271.17044	2.5
277.09460	0.7
281.21323	2.7
287.07703	1.8
289.18079	88.6
290.18448	6.9
305.08917	2.4
307.19125	100.0
308.19489	7.7
323.09824	1.3
325.20129	1.1
341.09741	0.5
397.13470	46.1
398.13803	3.6
415.14557	41.6
415.19067	0.4
415.20630	0.5
416.14795	2.8
467.22922	0.6
607.26007	1.9
636.25055	0.5
673.34454	10.7
674.34180	1.3
687.31476	1.4
705.33545	8.2
706.33862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68625	0.4
56.40574	0.4
57.03305	1.6
59.01247	9.5
61.98703	2.2
68.99660	0.7
69.03332	1.1
70.45798	1.6
71.01249	7.7
72.99180	1.6
73.02831	1.6
75.00747	0.9
79.20573	0.5
83.01260	1.2
83.04891	1.9
85.02838	3.5
85.25975	0.6
87.00750	2.0
89.02312	3.9
91.01775	0.6
93.03323	2.3
95.01254	1.3
95.04882	0.7
96.95885	3.5
97.02839	1.2
99.00763	3.0
99.04452	0.5
101.02322	3.4
108.02084	1.2
109.02869	0.9
111.04366	0.9
113.02335	4.8
117.03326	1.1
119.01309	0.6
119.03366	1.2
119.04857	1.0
121.02834	23.0
122.03159	0.6
123.04396	1.0
124.01528	0.6
125.02344	2.0
127.03887	0.8
129.01845	0.8
132.02061	2.2
133.02789	0.7
134.03632	0.9
135.04407	1.8
137.02348	2.3
141.04066	0.6
143.03357	0.6
147.00847	0.6
147.04425	3.9
148.05148	0.7
149.02339	64.6
150.02715	2.5
151.00276	0.6
151.03896	0.7
152.01039	1.2
153.01839	1.1
160.01508	1.2
161.02388	0.9
161.04445	1.0
163.03889	1.6
163.11128	1.0
163.13365	0.5
164.04692	51.6
165.01794	0.6
165.05106	2.4
165.12766	0.9
169.12251	1.8
171.10173	2.6
175.00287	4.6
175.03888	1.4
177.01898	0.8
179.03421	0.6
179.07021	5.3
181.12280	0.7
183.13757	0.8
185.11700	0.7
190.02635	11.4
191.05638	1.2
193.01318	0.6
193.04980	1.4
197.11719	1.1
199.13322	1.6
203.10815	0.5
205.04999	13.3
207.10226	2.0
208.03642	2.8
209.11758	7.5
209.86295	0.6
211.13393	0.8
213.11343	0.6
223.06056	100.0
224.06412	4.6
225.11261	2.6
226.11438	0.6
227.12875	3.4
235.08130	0.8
253.09293	0.9
267.07382	0.7
285.04248	0.8
331.06628	0.6
377.14575	1.3
397.13065	0.6
455.75809	0.6
461.19711	0.6
627.37244	0.9
687.32007	1.8
705.22638	1.0
705.26746	0.8
705.33972	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	705.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.0
59.01255	5.4
61.98728	1.0
65.00206	0.7
65.83939	0.7
67.01748	0.8
69.03326	4.6
69.32853	6.2
71.01250	5.5
72.91440	0.6
73.02784	1.5
75.00718	0.8
79.95601	3.2
81.03322	1.5
83.01252	2.0
85.02840	4.2
87.00752	1.7
89.02314	2.4
93.03314	3.4
95.01260	6.4
96.95887	100.0
97.02821	3.7
99.00755	1.5
101.02324	1.9
107.01261	2.1
108.02048	2.3
109.02830	2.1
111.00742	1.1
111.04357	0.7
111.57945	0.6
113.02306	2.5
119.04913	1.3
121.02824	2.1
122.03628	1.6
123.00762	12.6
123.04373	1.8
124.01563	21.7
125.02342	43.3
126.02663	1.7
129.01833	0.8
134.03635	1.7
135.04399	2.7
136.01517	1.0
136.05182	1.0
137.02344	5.6
139.00243	1.8
141.04068	2.7
145.02838	1.3
147.04404	0.9
149.02385	3.7
149.06042	0.7
149.98283	1.3
149.99504	25.8
150.03120	8.1
151.00310	6.0
151.03835	2.1
151.07652	1.3
152.01003	2.4
153.01770	2.9
154.02614	1.1
160.01599	0.9
161.02306	2.2
163.03932	1.3
164.04628	1.4
165.01854	1.5
165.05495	5.9
166.99799	6.6
167.03400	1.7
168.00558	47.7
169.01340	10.0
169.04951	1.2
173.04474	3.0
175.03931	1.5
176.01065	0.8
177.05519	0.8
179.03421	1.8
180.04225	1.1
181.01405	0.8
181.05034	1.3
190.02588	1.1
191.03799	0.6
191.05511	4.6
191.07056	0.7
193.01515	0.6
195.06564	5.3
205.05008	1.0
249.05736	0.8
267.07187	2.1
269.04550	0.9
303.09174	0.6
311.09109	0.8
331.06589	1.1
343.11853	2.9
379.08173	1.2
397.08908	1.0
519.20398	0.8
521.12885	0.8
607.16827	0.7
687.19653	1.1
705.20197	53.7
706.20392	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	705.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01247	3.3
60.99176	0.3
67.01759	2.0
69.03320	0.5
71.01254	2.6
73.02821	0.3
81.03326	0.7
81.23664	0.2
83.01252	0.3
83.04902	1.0
85.02819	7.5
87.00743	4.9
89.02333	0.5
91.01772	1.4
93.03329	16.5
94.03674	0.5
95.01278	0.4
96.95912	0.4
96.99181	3.0
99.00795	0.3
99.04423	0.3
101.02339	0.6
102.74777	0.3
108.02048	1.9
109.02863	1.7
111.00765	0.4
111.04408	3.4
113.02312	0.7
115.00240	1.4
117.03360	0.8
119.04908	5.6
121.02828	0.7
123.04406	6.0
124.01567	0.5
125.02340	0.4
127.03893	1.7
129.01810	1.1
131.04930	0.8
133.02821	1.3
134.03632	5.9
135.04324	0.6
137.02322	1.9
141.04079	0.3
143.04927	8.0
145.02863	1.7
145.06461	0.3
146.03644	1.7
147.04370	0.8
148.01579	0.6
148.05173	0.8
149.02335	0.3
149.05977	1.1
150.03166	0.6
152.01056	0.9
153.01828	0.7
155.03400	2.0
158.03618	1.9
159.04402	3.2
160.01559	0.4
161.02377	0.4
161.05930	1.2
163.00237	0.3
163.03908	5.8
165.05499	0.3
171.02863	0.5
171.04356	0.5
173.04459	12.0
173.05969	2.6
174.03252	0.6
174.04773	0.5
175.02441	0.3
175.03908	0.7
178.02620	1.0
179.03505	0.3
187.04041	0.5
190.02640	0.3
191.05527	66.4
192.05852	2.4
193.04967	3.7
205.04951	0.5
225.05444	0.4
226.06268	2.7
235.11520	0.3
236.08244	0.4
238.06281	0.3
239.07208	0.4
241.08661	3.1
250.06252	1.0
251.07112	7.9
251.11018	0.3
252.07822	3.6
253.08598	2.2
254.09436	2.1
257.04456	0.5
263.06979	0.7
265.08664	0.9
267.10239	1.3
269.11871	0.3
279.06610	2.4
280.07370	8.8
281.07825	0.8
295.09720	11.0
296.10071	0.7
301.03622	0.4
313.10764	0.8
319.13858	1.5
321.03888	0.4
324.06378	1.3
339.08701	4.4
340.09167	0.4
357.09766	100.0
358.10110	9.0
463.10794	0.4
483.18817	0.8
513.14508	1.2
513.20654	0.3
531.15039	12.4
532.15405	1.5
687.19623	0.3
705.20270	28.6
706.20764	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	704.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52332	0.2
59.01241	0.6
61.98698	100.0
63.09462	0.2
69.23524	2.2
71.01248	1.4
78.95772	0.7
79.95620	0.7
80.96385	3.4
85.02826	0.3
94.23113	0.2
94.97987	0.5
95.69544	0.2
96.95907	0.4
97.02835	0.3
98.19804	0.4
101.02331	0.5
109.06451	0.3
125.02335	0.2
148.99063	0.3
152.99574	0.3
158.45842	0.2
164.98558	0.5
183.13913	0.3
209.11734	1.2
211.13345	1.5
212.13776	0.5
225.00792	0.9
225.11317	0.3
246.82719	0.2
257.63605	0.2
673.34125	0.3
705.31555	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	701.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22005	0.2
55.01747	0.2
59.01252	8.1
61.98695	0.6
67.14465	0.2
69.03324	0.4
70.74677	0.2
71.01241	1.9
72.99169	0.2
73.02840	0.3
78.95759	0.3
83.01271	0.3
83.04892	0.4
85.02825	0.4
87.00750	0.4
88.37107	0.2
89.02322	1.4
97.02831	0.2
98.19803	0.4
99.00727	0.2
101.02320	1.3
104.29346	0.2
111.08064	0.3
113.02341	0.8
119.03401	0.4
123.00643	0.2
123.03625	0.2
155.10657	0.3
161.04486	0.7
165.12802	0.3
167.10701	0.2
167.14325	0.8
171.10181	3.8
172.10518	1.7
173.10716	0.3
179.05511	0.4
179.11983	0.2
183.13832	6.7
193.12245	1.8
197.11682	0.6
198.12062	0.3
209.11861	0.2
211.13339	100.0
212.13661	5.8
235.08221	1.5
253.09253	3.7
254.09509	0.4
269.26929	0.2
292.19937	0.4
309.20612	0.8
310.21017	0.8
311.21609	0.3
387.25235	0.3
429.21222	1.0
447.22339	8.0
448.22739	0.8
540.81012	0.2
589.62512	0.2
623.34204	1.0
641.35608	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
61.98697	100.0
71.01257	0.6
81.43964	0.1
83.01261	0.2
83.04881	0.2
85.02805	0.2
89.02314	0.3
96.95886	0.3
98.20580	0.2
101.02335	0.2
105.44485	0.1
109.02876	0.2
113.02281	0.3
125.09544	0.2
127.03951	0.2
151.03819	0.1
153.58263	0.1
171.10207	0.4
175.04030	0.2
183.13890	0.2
197.11732	0.9
209.11824	0.6
210.12032	0.2
210.81331	0.2
211.13368	0.7
223.13338	0.2
225.11394	0.2
227.12796	0.2
231.16278	0.1
253.09239	0.2
267.24634	0.1
290.16348	0.2
400.81674	0.2
513.64941	0.1
642.34460	0.2
671.33136	0.5
703.35095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18571	2.4
59.01256	3.6
61.98706	6.1
65.99713	4.1
71.57952	4.7
76.55117	2.7
78.95789	5.6
82.02847	19.8
91.79093	2.3
128.29988	2.0
130.49190	2.6
136.03911	4.9
152.03442	24.5
170.27263	2.4
171.10144	2.7
194.08148	6.3
209.11804	3.7
255.23158	3.7
268.08417	2.5
348.13361	2.8
351.67200	3.1
356.10861	2.7
370.12021	4.1
525.17163	3.1
539.23749	2.7
591.22620	3.7
619.22034	4.7
641.26007	5.1
651.24445	44.4
652.24817	8.8
669.25751	4.8
701.28235	100.0
702.28339	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	701.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57217	1.1
59.01247	100.0
62.73786	0.9
77.66711	1.1
78.95766	2.0
87.62569	1.0
121.02810	1.4
171.10120	1.2
255.23071	2.2
277.21628	1.3
295.22842	1.3
438.13403	6.2
452.14713	2.0
481.15149	40.6
482.15628	9.2
495.16772	8.8
496.16882	1.3
497.18286	4.4
514.14795	1.5
539.15906	2.3
540.16302	8.8
541.16534	1.4
554.18079	2.3
555.18805	70.3
556.19043	17.3
556.27600	1.2
567.18781	2.7
569.19879	2.1
572.15387	21.0
573.15894	3.5
576.70868	1.0
586.17383	4.6
599.21350	1.2
627.21307	2.0
641.22498	29.8
642.22760	7.4
658.18976	2.4
701.24683	60.8
702.24927	16.1
706.51990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.62197	0.3
70.01871	2.1
87.22728	0.4
102.93253	0.4
284.03699	0.5
296.42212	0.4
357.30508	0.4
437.12003	0.6
438.13345	4.9
439.13620	0.9
451.14215	0.7
452.14746	1.7
453.15738	0.6
455.09680	0.6
459.72372	0.4
465.11548	0.5
470.12024	0.5
480.14307	0.6
481.15161	30.1
482.15533	6.7
495.16779	11.2
496.17111	2.2
497.18372	5.4
498.18561	0.9
514.14923	2.6
525.14282	0.9
539.15332	2.1
540.16553	8.2
541.16870	1.7
551.19202	0.5
553.16895	0.5
554.17950	2.6
555.18811	51.4
556.19037	8.3
567.18689	0.7
572.15442	12.6
573.15802	1.9
586.16925	6.2
587.17303	1.1
609.19873	1.4
610.20007	0.6
627.20850	1.3
641.22595	21.3
642.22601	4.7
701.24628	46.7
702.24805	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	701.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82087	0.7
57.03315	1.5
59.01249	9.2
69.03297	0.8
69.25244	6.3
69.25658	1.7
71.01250	6.7
72.99164	1.3
73.02819	2.9
73.17380	0.7
75.00740	1.0
83.01246	1.0
85.02818	4.0
87.00752	0.8
89.02319	3.0
91.01815	0.9
93.03339	2.5
94.39282	0.6
95.01290	1.1
96.95892	1.9
97.02824	0.9
99.00762	5.7
101.02322	2.6
108.02059	2.6
109.02858	3.4
111.00768	0.8
113.02293	3.2
117.03359	1.5
119.04916	1.8
121.02850	12.0
123.00770	3.1
123.04378	0.9
124.01526	1.2
125.02303	2.4
131.03357	0.8
132.02042	1.3
133.02859	0.9
134.03627	1.4
135.04391	2.3
137.02356	2.8
139.00264	1.0
139.03920	0.8
147.04390	4.5
149.02345	66.0
149.99504	1.0
150.02786	2.6
151.03888	1.3
152.01021	3.5
153.01872	4.4
160.01573	1.2
161.02341	2.2
161.04510	0.9
163.03880	3.3
164.04697	50.6
165.01852	1.1
165.05188	2.1
167.03447	1.3
168.00536	2.9
173.04456	1.3
175.00273	3.5
175.03923	1.7
177.26959	0.7
179.03423	1.3
179.05786	0.7
179.07047	5.8
190.02623	9.5
191.03259	0.6
191.05531	4.0
193.04948	1.3
195.06610	0.9
203.39946	0.8
205.03275	1.1
205.04991	11.4
208.03740	2.0
211.13316	2.2
223.06062	100.0
224.06390	3.6
285.04126	1.4
361.62128	0.7
391.16031	0.9
393.36298	0.7
397.13419	1.4
405.62146	0.6
410.00357	0.8
426.71466	0.6
556.80780	0.8
657.23914	2.3
669.19556	1.1
670.20898	0.8
701.19672	1.0
720.34473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59472	0.6
55.03945	0.5
57.03325	1.1
59.01241	6.3
64.60693	0.5
69.03323	5.3
69.89412	3.0
71.01243	4.4
72.99215	0.6
73.02810	1.0
75.00738	1.3
81.03322	0.7
83.01271	1.1
83.04880	0.6
85.02814	3.6
87.00751	1.1
89.02303	3.2
93.03346	1.9
95.01260	1.3
96.95873	1.8
97.02834	3.2
99.00764	1.0
101.02328	3.4
107.01288	1.5
107.04894	0.6
108.02045	72.7
109.02866	9.1
111.00720	0.7
113.02336	2.8
117.03358	0.6
119.03384	1.0
119.04908	1.6
121.02822	2.8
123.00770	1.4
123.04380	1.3
124.01576	1.0
125.02336	6.2
132.02080	5.3
133.02867	4.4
134.03627	22.9
135.00786	0.8
135.04459	3.3
137.02325	6.7
139.03864	1.8
145.02791	0.6
149.02359	2.1
149.05992	5.5
150.03142	0.9
151.00259	2.1
151.03899	2.1
152.01048	100.0
153.01862	10.1
153.05447	0.8
153.16919	0.6
160.01564	27.9
161.02353	9.9
163.03947	2.5
164.04625	1.1
165.01874	1.9
165.05501	1.1
166.02603	1.8
167.03412	1.1
168.00546	1.9
171.10201	0.5
173.04509	0.6
175.03914	36.9
176.04320	2.2
177.01811	1.9
178.02603	10.5
179.03404	3.5
179.07005	0.5
180.04095	0.7
181.04979	0.8
189.05463	0.8
190.02609	1.5
191.03470	0.5
191.05493	1.4
193.04977	27.4
194.05267	0.9
195.06516	0.6
202.02600	0.9
203.03256	0.7
205.05000	1.5
211.13336	5.1
223.06065	1.6
243.19070	0.7
245.08202	0.6
245.51164	0.6
267.07388	0.7
284.03116	0.6
285.03915	1.9
289.07062	1.2
297.06125	4.7
300.40588	0.7
318.07358	1.3
322.06848	1.1
323.07693	1.8
333.09827	0.9
337.09238	6.3
338.09686	0.9
397.13351	2.1
415.14548	1.4
433.42154	0.6
447.12878	0.7
491.12143	4.1
495.14914	2.6
505.13492	13.6
506.13675	1.5
609.28021	1.1
669.17365	0.7
701.20746	67.1
702.21063	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	699.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.3
57.03323	0.5
58.00449	0.4
59.01244	2.9
61.98711	0.2
69.03331	0.6
71.01251	2.8
71.04915	0.2
71.57851	0.2
72.99187	0.2
73.02828	0.7
77.18053	0.1
78.87597	0.2
81.03341	0.2
83.01250	0.5
83.04897	0.5
85.02809	0.9
87.00739	0.6
89.02316	2.5
95.01257	0.3
97.02822	1.4
97.06449	0.5
99.00774	0.2
101.02311	3.1
109.06483	0.4
111.08037	2.8
113.02312	1.4
119.03369	1.0
119.08530	0.2
123.08087	0.2
124.42897	0.2
125.02314	0.2
125.09605	1.8
127.07534	0.3
127.11172	1.8
133.04932	0.4
137.09602	0.5
143.03459	0.3
145.04944	0.4
151.11198	0.2
153.09129	0.7
153.12744	0.4
161.04463	1.3
163.11166	0.4
165.12741	1.0
169.12251	1.1
171.10172	100.0
172.10519	3.5
179.05447	0.4
179.10646	0.2
181.12294	0.5
183.13799	0.3
187.09608	0.4
193.12256	0.4
197.11757	15.8
198.12111	0.8
199.13315	1.0
209.11768	0.6
211.13321	2.4
214.48444	0.2
227.12869	1.0
235.08159	4.1
236.08446	0.2
247.20781	0.8
249.14908	0.6
253.09250	10.4
254.09560	0.3
262.11774	0.2
263.20111	1.1
265.18011	0.4
273.18729	0.8
291.19653	15.9
292.20050	1.0
293.20886	0.2
309.20685	31.2
310.21011	2.2
331.18936	0.2
338.30078	0.2
407.19177	1.2
433.20825	0.3
463.30533	0.5
485.24036	0.2
527.28680	0.4
535.52075	0.2
545.29675	0.6
699.39600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03323	1.6
58.00449	0.5
58.72545	0.2
59.01242	5.2
61.98694	0.5
69.03331	0.5
69.65111	1.6
71.01243	4.2
72.99180	0.3
73.02820	1.0
78.95776	0.3
83.01260	0.3
83.04919	0.4
85.02823	0.9
87.00761	1.0
89.02309	2.9
94.45554	0.3
95.04896	0.5
97.06457	2.0
99.00733	0.3
99.08033	0.3
101.02319	3.8
104.12816	0.3
109.06451	0.5
111.08038	5.0
113.02312	1.6
115.03945	0.3
119.03404	1.4
120.38023	0.3
123.08060	1.5
125.09599	13.7
126.09911	0.7
127.11183	1.7
133.04988	0.3
143.03407	0.4
145.04985	0.5
153.09097	0.7
153.12727	0.4
161.04530	1.3
169.12253	1.8
171.10165	100.0
172.10522	4.2
179.05498	0.6
181.12259	0.4
183.13808	0.4
184.43793	0.3
187.08061	0.6
187.09677	9.7
187.11369	0.5
188.10077	0.4
193.12082	0.3
195.13881	0.4
197.11754	22.8
198.12132	1.0
199.13303	1.2
209.11801	0.3
211.13336	3.5
212.13676	0.3
223.13531	0.3
227.12779	0.6
235.08189	5.0
253.09268	11.6
254.09688	0.5
263.20059	2.1
265.18121	0.7
273.18726	0.4
275.20047	0.3
291.19644	13.2
292.19971	0.7
293.21329	1.3
293.24136	0.3
309.20676	33.1
310.20956	2.6
358.03027	0.3
405.17673	0.5
407.19025	1.9
423.18582	2.1
433.20599	0.3
463.30435	0.5
545.29529	1.0
598.25995	0.3
699.39453	12.3
700.39465	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	699.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.8
57.03325	2.7
58.00460	6.8
59.01248	93.9
60.01582	1.8
61.98698	2.0
67.01765	1.2
69.03331	1.7
69.47878	2.2
69.48299	5.7
71.01249	76.3
72.99174	6.6
73.02431	0.9
73.02818	4.0
75.00746	3.0
75.69752	1.0
83.01249	4.6
85.02820	15.7
87.00755	4.4
89.02311	100.0
90.02618	1.4
93.03320	14.0
95.01286	5.8
96.95882	3.6
97.02823	1.5
98.49049	1.0
99.00742	1.8
99.04358	1.2
101.02320	35.1
107.04956	1.3
108.01353	1.9
108.02051	22.6
109.02837	9.4
113.02318	29.6
113.03059	2.1
115.00241	1.1
119.03388	34.1
119.04855	13.8
121.02824	3.9
123.00764	1.8
123.04390	2.5
124.01569	1.4
125.02328	6.0
131.03371	4.4
132.02060	2.1
133.02840	3.0
134.03638	18.2
135.00813	1.0
135.04474	5.7
136.01578	1.5
137.02332	29.6
138.02672	1.5
141.03990	1.8
143.03348	6.2
145.02867	1.6
146.03619	2.6
147.04417	7.4
148.05127	1.3
149.02327	5.8
149.04463	3.6
149.05984	3.4
150.03171	6.3
151.00266	1.1
151.03880	2.2
152.01042	25.8
153.01843	13.9
155.03360	1.2
158.03664	2.7
159.04417	6.5
160.01607	10.4
160.05214	7.4
161.02322	4.5
161.04466	5.7
161.05980	8.0
163.03873	11.1
164.04707	5.1
164.94017	1.0
165.01817	1.4
165.05479	4.4
167.03346	2.5
173.04555	2.4
173.06010	3.1
174.03062	1.6
175.02481	1.8
175.03920	10.1
175.07547	6.2
176.04472	1.6
177.01807	1.7
177.05453	6.9
178.06276	2.0
179.03450	2.5
179.05513	16.4
179.07042	1.0
190.02640	2.3
191.03415	2.2
191.05496	4.0
193.04987	17.4
193.06566	1.8
195.06567	3.2
205.04984	2.6
208.51173	1.2
209.08025	1.4
211.07576	1.7
221.05986	1.2
223.06110	2.4
237.05476	2.6
238.06302	6.9
239.07022	4.2
247.06233	1.4
249.05573	2.9
250.06209	2.5
251.07196	1.9
255.06625	1.3
264.07986	1.9
265.04980	2.1
265.08466	2.9
266.05853	15.7
267.06583	23.3
268.07010	1.3
270.05106	1.1
281.04987	1.7
281.08173	33.2
282.05615	1.6
282.08835	8.5
283.06097	0.9
284.03412	2.4
285.03989	8.9
286.04474	1.9
295.09836	1.7
296.06894	3.4
296.10669	1.6
297.07440	1.5
298.04535	1.6
314.07861	4.9
315.07361	1.7
328.09567	1.6
339.08792	2.1
341.10358	1.2
351.08661	1.3
353.10242	1.9
353.14194	1.7
389.12097	1.4
429.13345	4.4
443.14999	1.2
444.15955	9.4
459.18692	4.8
474.16534	5.8
489.19217	95.9
490.19595	9.6
491.56830	1.1
504.17969	1.5
505.21078	1.3
513.14154	1.3
519.20355	14.7
520.20691	2.1
533.12848	2.0
669.16779	4.8
681.17352	4.7
681.25751	5.8
699.19922	8.7
699.34912	3.4
700.19952	2.7
700.34424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.7
59.00995	0.3
59.01256	4.0
61.98701	2.0
65.00201	0.5
68.99670	0.4
69.03333	1.9
71.01257	5.6
73.02815	1.9
75.00716	0.3
79.01743	0.3
81.03330	0.6
83.01270	1.3
85.02824	5.2
87.00760	0.7
89.02319	0.9
93.03355	1.8
95.01273	2.6
95.04915	0.3
96.95890	1.7
97.02816	1.1
98.20560	0.9
99.00768	1.5
101.02322	2.8
107.01254	0.4
107.04935	0.6
108.02055	69.3
109.02850	28.3
109.03932	0.5
110.03168	0.6
113.02348	3.0
119.04929	0.5
121.02835	2.3
123.00764	2.1
123.04424	1.8
125.02348	2.9
132.02040	1.2
133.02838	2.9
134.03656	3.4
135.00787	3.3
135.04408	2.7
137.02364	1.5
139.00262	0.5
146.03596	0.4
149.02313	1.5
149.05966	0.7
151.00301	1.5
151.03938	2.8
152.01060	79.1
153.01854	32.8
153.02895	0.3
154.02176	1.3
159.02921	0.4
160.01588	2.3
161.02232	0.4
161.04414	0.5
161.05954	0.4
163.03918	2.9
164.04689	0.7
165.01837	3.7
167.03452	0.4
168.00536	0.5
171.10236	0.4
175.00258	0.4
175.03918	2.5
176.01027	1.7
177.01852	31.7
177.97693	0.4
178.02289	1.5
179.03442	0.7
179.07047	0.7
181.04976	0.5
186.24367	0.3
190.02690	0.8
191.03413	0.9
193.05009	3.8
195.02864	0.7
205.04997	1.2
207.70499	0.4
209.11732	0.6
219.02922	0.6
223.06029	0.9
225.03954	0.8
284.03238	1.1
285.04074	4.4
286.04349	0.6
287.05762	0.8
315.07227	100.0
316.07617	4.9
339.07208	49.7
340.07550	2.9
357.08310	0.5
383.06207	35.5
384.06628	2.3
401.07257	25.4
402.07672	1.7
418.91431	0.3
470.09802	0.3
479.71506	0.4
501.30817	0.5
699.24866	7.2
699.39435	3.1
700.25537	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	699.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30679	0.4
55.56544	0.4
57.03337	0.5
58.00478	0.9
59.01252	7.7
65.00176	1.0
67.01766	0.9
69.03328	1.5
71.01256	6.3
71.58862	0.4
71.59292	0.5
72.54967	0.4
72.99189	0.5
73.02818	1.0
75.00729	0.5
75.29179	0.5
80.02533	0.7
81.03330	1.2
85.02821	2.4
87.00760	0.7
89.02311	5.1
91.01196	0.9
91.01769	17.2
92.02088	0.5
93.03323	1.6
95.01273	2.3
96.95896	0.7
97.02827	1.2
99.00761	0.9
101.02316	1.8
107.01270	0.8
107.04909	0.6
108.02053	24.7
109.02863	8.5
111.00735	0.5
113.02320	1.7
117.03314	0.5
119.04916	1.3
121.02814	1.6
123.00777	7.0
123.04423	0.7
124.01572	1.0
125.02352	1.2
129.01799	0.5
131.03366	0.8
133.02840	0.8
134.03604	0.8
135.00777	19.6
135.04376	1.1
136.01039	0.4
137.02350	4.9
139.03914	0.5
143.03383	0.7
149.02332	1.5
150.03157	0.5
151.00246	1.8
151.03978	1.0
152.01059	24.6
153.01849	9.5
160.01602	0.6
161.02327	1.7
161.04448	0.5
163.03888	1.4
165.01772	0.5
165.05487	0.7
167.03375	0.5
169.86047	0.4
171.07912	0.4
171.30194	0.4
173.04437	1.0
175.03899	1.1
177.01851	1.7
179.03389	0.5
183.65359	0.5
190.02576	0.7
191.03502	0.7
191.05498	1.7
193.04906	0.8
197.05974	1.7
199.07523	1.1
213.05475	1.3
215.07082	1.2
241.27560	0.5
242.05801	2.0
243.06590	100.0
244.06902	7.4
253.91254	0.5
267.07114	0.6
269.04480	0.5
295.14474	0.5
297.06250	1.3
300.02222	0.4
315.07227	1.9
316.07349	1.1
317.07727	1.1
337.08923	0.6
339.07410	0.5
384.06808	0.5
385.06738	0.6
405.11826	7.7
406.12018	1.1
429.10275	1.8
501.13550	0.8
537.16125	85.3
538.16425	11.5
591.15912	1.4
602.21503	0.5
667.18341	0.6
681.56195	0.5
699.24469	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	697.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75362	1.7
57.03317	4.1
58.00461	5.2
59.01248	100.0
61.98689	3.7
65.00196	2.0
69.02972	1.8
69.03334	6.7
69.31541	4.1
69.31953	13.1
71.01250	75.7
72.99177	7.2
73.02810	7.4
75.00753	3.2
81.03323	2.0
83.01259	4.9
85.02822	21.2
87.00745	9.6
88.98710	2.9
89.02312	92.7
93.03343	9.2
95.01267	6.4
96.95895	9.0
97.02821	3.3
99.00780	4.9
99.04433	1.6
101.02321	35.9
107.04922	1.9
108.02065	6.8
109.02832	7.8
111.00753	4.0
113.02325	35.5
114.02622	2.3
117.03327	3.8
119.03375	32.8
119.04136	2.8
119.04889	3.9
121.02849	6.4
123.00790	2.4
123.04418	3.6
124.01553	3.4
125.02363	7.8
131.03400	5.6
132.02068	7.7
133.02826	6.5
134.03632	27.4
135.02887	2.0
135.04439	12.0
136.01556	8.0
137.02365	12.8
139.03981	2.0
143.03395	6.4
145.02831	4.7
146.03575	2.4
147.04436	5.8
148.05127	2.0
149.02333	10.0
149.04503	4.4
149.05988	5.2
150.03076	3.5
151.00258	6.9
151.03951	8.6
152.01054	7.6
153.01849	6.2
155.03314	2.3
159.04494	3.2
160.01556	25.1
160.05176	1.7
161.02278	7.5
161.04463	6.4
161.05879	4.0
162.03056	1.6
163.03911	7.4
163.06076	2.0
164.04610	8.0
165.05504	2.8
172.05136	2.4
173.04478	7.1
173.05899	2.8
174.01698	2.4
174.03143	4.4
175.00247	4.9
175.02463	3.1
175.03917	26.7
176.04623	8.1
177.01846	4.3
178.02551	2.6
179.03436	3.8
179.05519	13.2
185.00931	2.8
189.05492	6.4
190.02588	10.0
190.06223	2.4
191.03351	4.8
191.05557	4.7
191.07024	5.1
193.04982	28.9
202.02646	6.7
203.07030	1.7
205.04953	9.7
207.06500	2.1
209.11761	2.7
217.04988	34.2
217.06897	3.0
218.05273	2.1
223.06004	8.0
227.03448	2.0
235.06004	10.7
238.06421	2.0
240.07764	1.6
241.04811	1.8
246.49744	1.6
246.99690	1.6
247.06047	3.0
249.05872	2.0
253.04987	5.7
265.04886	3.6
266.05725	3.5
267.07080	3.5
268.07462	2.0
271.02560	3.9
277.72400	2.0
279.06558	3.1
280.07370	3.6
281.04474	13.1
283.09711	4.0
284.03381	4.8
285.04135	13.0
287.05579	4.1
292.07236	1.9
295.05978	3.1
296.06830	14.5
299.02054	3.0
299.05484	2.4
300.02399	2.3
311.05704	2.8
311.09204	21.4
314.04504	8.0
321.07547	3.0
323.09225	2.7
326.11581	5.9
329.06580	9.1
337.08386	2.6
341.13907	9.1
353.09921	2.5
355.10321	5.3
367.10233	3.9
439.68320	1.8
459.14441	2.0
474.22003	1.8
487.13870	5.4
487.18326	3.9
502.16272	5.6
517.18604	59.9
518.18994	9.6
519.51788	2.0
546.72864	1.8
628.30359	2.0
637.37708	2.7
697.18091	7.4
697.37286	5.5
698.17578	2.2
722.18188	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.5
59.01246	3.9
61.98720	0.4
63.02269	0.9
65.00201	0.9
70.82394	0.6
70.82729	0.4
71.01254	1.9
72.99155	0.4
73.02817	0.6
75.00714	0.3
79.46171	0.3
83.01276	0.9
85.02835	1.2
89.02306	0.7
93.03317	0.4
95.01241	0.4
96.95865	0.9
99.00758	0.6
100.96565	0.3
101.02312	1.1
107.01263	2.5
108.01997	0.8
109.02845	1.1
113.02320	1.1
115.00285	0.4
119.04926	0.6
121.02815	0.9
125.02328	0.9
132.02063	0.7
133.02837	4.3
134.03642	2.5
135.00725	0.3
135.04419	1.4
137.02339	1.0
145.02748	0.4
147.04353	0.6
149.02348	2.1
149.05965	0.5
151.00284	5.2
151.03935	1.0
152.01096	0.9
153.01859	0.8
157.02704	0.3
160.01587	1.7
161.02371	0.6
163.03897	1.0
165.05501	0.3
169.01314	0.4
169.18620	0.4
171.04379	0.4
173.04431	0.4
173.05971	0.5
175.03915	3.8
177.01833	0.8
178.06248	0.6
179.03394	0.3
179.07066	0.6
187.03850	0.4
187.11250	0.4
190.02635	0.6
193.04984	2.0
193.08676	0.7
195.06740	0.4
197.05962	0.5
199.03917	2.0
201.01878	0.8
205.05019	1.0
209.08223	0.4
213.05397	0.4
217.05008	1.4
223.06027	0.8
229.05104	0.4
241.05132	0.5
243.02930	0.8
256.03745	1.0
257.04227	0.5
271.81854	0.4
284.03259	20.0
285.04019	100.0
286.04361	5.6
287.05688	0.5
309.03806	0.4
327.05212	0.6
429.08148	1.8
447.09296	17.2
448.09860	1.6
469.05322	0.4
475.49655	0.4
561.24084	0.4
635.21265	2.7
637.18951	3.5
679.20190	1.5
697.21265	33.1
697.36597	1.0
698.21625	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	697.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	1.0
59.01247	9.9
61.98696	4.3
63.02260	1.3
65.00175	1.0
69.03310	0.9
71.01239	6.7
71.58272	0.9
72.99179	1.1
73.02799	1.7
75.00742	1.0
81.03317	1.0
83.01240	1.3
83.04880	1.2
85.02821	4.6
87.00732	1.6
89.02302	2.8
93.03338	2.4
95.04896	1.2
96.95875	2.9
99.00739	1.1
101.02303	2.5
103.00203	0.7
105.03291	1.0
107.01252	2.0
107.04881	1.5
108.02038	2.5
109.02881	4.1
111.94006	0.7
113.02335	3.5
117.03352	1.0
119.04882	1.3
120.11758	0.7
121.02841	2.1
122.22884	0.7
123.04411	0.9
124.01528	0.8
125.02311	3.3
126.19977	0.8
127.03877	1.0
129.01810	0.9
132.02068	0.9
133.02821	6.1
133.04979	0.8
134.03645	8.0
135.04402	2.3
137.01346	0.7
137.02344	3.0
145.02805	0.8
149.02342	4.2
149.05969	1.8
150.03107	0.9
150.06764	1.0
151.00284	3.9
151.03952	0.9
152.01028	2.4
153.01793	2.8
160.01559	6.9
161.02248	1.6
161.04477	0.8
163.03918	1.5
164.04666	1.1
165.05461	1.4
167.03371	1.5
173.04547	1.0
175.00337	0.9
175.02438	1.4
175.03880	9.5
177.01865	4.7
177.80444	0.7
179.07031	0.8
179.10739	1.0
183.13742	0.9
190.02609	3.5
191.05516	1.8
193.03307	1.0
193.04991	7.0
194.02272	0.7
195.06496	0.8
198.03168	0.7
199.03821	1.6
199.07452	0.7
205.04997	3.6
209.11740	1.2
215.03580	1.0
217.04994	1.8
217.85443	0.8
223.06047	2.6
239.03577	1.2
241.04968	0.8
255.02893	1.2
256.03656	1.4
260.12878	0.7
284.03247	22.2
285.04007	100.0
286.04388	7.5
292.55234	0.8
327.05026	1.4
327.21512	2.0
384.16971	0.7
387.19949	1.0
429.08228	2.7
435.15228	1.0
436.28427	0.8
447.09225	17.3
448.09747	1.6
450.86517	0.7
493.35492	1.1
539.48822	0.8
539.74298	0.9
609.20581	0.8
635.21472	3.6
637.19043	3.9
637.39423	0.9
661.38385	1.8
679.20184	2.3
697.21368	33.7
697.39484	6.4
698.21173	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	697.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99884	0.4
52.03422	0.3
57.03313	0.7
57.26009	0.3
59.01248	5.3
61.41013	0.3
61.98704	2.8
63.02254	0.7
65.00200	0.8
66.10911	0.3
71.01262	2.5
73.02828	0.7
75.00745	0.8
75.16679	0.4
78.95813	0.4
83.01270	0.7
83.04909	0.8
85.02834	1.8
87.00801	0.4
89.02326	0.9
93.03329	1.3
94.17398	0.4
95.01271	0.5
95.56282	0.4
95.96713	0.4
96.95898	1.5
99.00767	0.6
101.02325	1.6
103.12887	0.3
107.01289	1.3
107.04936	0.6
108.02082	0.6
109.02846	1.8
113.02325	1.4
114.89368	0.4
116.92718	0.4
121.02862	1.0
125.02365	1.0
132.02138	0.6
133.02846	4.9
134.03651	2.5
135.00787	0.6
135.04419	0.8
137.02359	1.5
141.01872	0.4
145.02885	0.5
149.02332	2.1
149.06000	0.4
150.06757	0.8
151.00291	3.6
151.03914	0.7
152.01047	0.7
153.01826	1.3
160.01581	2.8
161.04475	0.6
161.09682	0.8
165.05360	0.4
171.10234	0.5
175.00307	0.6
175.03911	4.3
177.01883	0.9
179.10606	0.4
189.05580	0.4
190.02626	1.1
191.05452	0.5
193.04970	3.6
199.03931	2.5
201.01872	0.8
205.04967	1.4
207.34076	0.4
209.11836	0.8
211.04004	0.6
211.13383	0.8
213.05447	0.5
215.03479	0.7
217.05070	1.3
221.63463	0.4
223.06038	1.5
227.03342	0.6
241.05042	0.7
256.03754	1.2
257.04550	0.5
269.04401	0.5
271.06104	0.5
272.06601	0.5
284.03275	19.0
285.04047	100.0
286.04407	7.1
309.04251	0.4
327.04935	0.6
327.22101	0.5
329.23489	0.6
387.19888	0.5
396.74448	0.3
429.08157	1.8
447.09302	17.1
448.09497	1.6
461.81491	0.4
493.35617	0.7
499.32883	0.7
635.21234	2.9
637.19208	4.3
679.20538	2.1
697.21301	32.3
697.35846	1.3
697.78595	0.4
698.21808	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	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01591	1.1
61.98702	0.3
68.03682	0.2
68.65551	0.2
71.01257	0.4
73.26461	0.2
80.29897	0.2
96.95918	0.2
98.19763	0.4
103.15893	0.2
121.02844	2.2
169.01364	0.2
171.10185	4.3
191.03445	0.7
195.91536	0.2
209.04529	1.4
209.11755	0.3
211.13419	0.4
217.00262	0.2
235.08246	0.2
253.09424	0.3
289.18106	1.7
307.19083	0.4
391.94705	0.2
401.08929	0.2
455.97223	0.2
469.05350	0.2
469.55673	0.2
472.76398	0.2
551.06854	0.2
593.13153	0.8
670.45410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82765	0.4
57.03326	1.3
59.01245	5.2
60.99169	0.8
65.23893	0.4
68.99675	0.5
69.03326	2.1
71.01254	6.9
71.58891	0.5
72.99188	0.6
73.02811	2.3
73.77363	0.5
75.00741	2.3
81.03324	0.6
83.01263	1.8
85.02818	6.1
87.00761	1.8
88.98689	3.4
89.02314	3.4
91.01743	1.2
93.03323	4.9
95.01257	3.4
96.95902	0.9
97.02822	1.1
99.00739	1.5
101.02322	3.3
101.23163	0.5
107.04914	0.5
108.02045	61.4
109.02845	36.5
109.03944	0.7
110.03159	1.1
111.00768	1.2
113.02321	4.3
119.03422	0.4
119.04919	4.0
121.02850	3.3
122.03572	0.5
123.00771	2.5
123.04422	2.5
125.02345	2.3
129.01804	0.9
132.02046	0.9
133.02826	3.5
133.05042	0.5
134.03613	1.9
135.00795	3.3
135.02910	0.5
135.04396	1.7
136.01540	0.8
137.02327	2.9
139.00272	0.6
139.03876	0.5
141.04076	1.5
145.02815	0.8
149.02359	3.2
149.05888	0.6
150.03157	2.8
151.00275	2.3
151.03922	7.1
152.01053	69.0
153.01840	42.6
154.02190	1.9
155.03473	0.5
160.01556	0.6
161.02338	1.5
161.04440	0.6
163.03931	5.3
164.04520	1.2
165.01868	3.0
165.05457	3.4
166.02647	2.9
167.03342	1.4
173.04472	1.6
175.03929	1.6
176.01088	1.4
176.78278	0.5
177.01840	30.9
178.02235	1.0
179.03427	0.9
181.05003	4.0
190.02591	0.7
191.03450	0.8
191.05519	2.1
193.05006	1.8
195.06552	1.8
201.99852	0.5
203.03471	0.6
205.05013	0.7
219.02954	0.7
223.06224	0.7
225.04001	0.8
270.05362	0.8
271.05698	0.9
284.03302	1.1
285.03973	1.3
285.07697	1.9
286.07886	0.9
301.03256	0.7
315.07199	100.0
316.07504	5.9
339.07166	43.7
340.07520	3.2
357.08249	2.1
383.06155	27.7
384.06470	2.4
387.10693	1.1
401.07220	17.0
402.07513	1.5
403.13837	0.7
417.15579	4.0
418.15677	0.8
419.15924	0.6
535.31329	0.7
612.77899	0.5
646.48773	0.5
697.16107	3.2
697.25598	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	695.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01597	0.7
69.74504	2.5
78.95773	11.7
107.97509	0.4
112.88610	0.4
148.99971	0.4
205.15930	0.8
348.78232	0.4
447.13214	0.6
532.02026	0.4
695.31134	37.9
696.31458	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	695.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06657	0.6
54.49625	0.8
55.11324	0.8
58.00462	2.6
59.01246	7.4
71.01249	7.5
72.99185	1.4
73.02815	7.9
80.96418	0.7
83.01244	1.4
85.02808	2.0
87.00732	1.6
89.02306	4.3
91.29008	0.7
97.06501	0.8
101.02323	5.5
111.00744	0.9
113.02314	2.9
116.92783	1.6
119.03403	1.1
123.08051	1.6
125.05959	2.8
125.09660	4.1
127.11160	3.1
135.08072	1.1
137.09604	5.4
141.09052	1.4
151.07520	1.8
153.09114	3.6
155.10652	6.2
161.00305	0.8
161.04477	1.8
163.07481	1.0
171.10175	25.3
172.10577	0.7
179.05484	2.0
181.08604	9.5
183.13742	0.8
197.11700	0.9
199.09674	100.0
200.10057	3.7
201.11224	2.2
217.10814	2.2
222.52898	0.8
235.08156	2.8
253.09232	10.9
277.21695	64.4
278.21991	3.9
415.31985	1.0
417.17416	4.9
435.18661	20.0
436.19254	1.7
441.30063	3.8
555.28247	2.1
614.14838	0.9
674.20905	0.8
695.39966	9.7
696.40961	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	697.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82765	0.4
57.03326	1.3
59.01245	5.2
60.99169	0.8
65.23893	0.4
68.99675	0.5
69.03326	2.1
71.01254	6.9
71.58891	0.5
72.99188	0.6
73.02811	2.3
73.77363	0.5
75.00741	2.3
81.03324	0.6
83.01263	1.8
85.02818	6.1
87.00761	1.8
88.98689	3.4
89.02314	3.4
91.01743	1.2
93.03323	4.9
95.01257	3.4
96.95902	0.9
97.02822	1.1
99.00739	1.5
101.02322	3.3
101.23163	0.5
107.04914	0.5
108.02045	61.4
109.02845	36.5
109.03944	0.7
110.03159	1.1
111.00768	1.2
113.02321	4.3
119.03422	0.4
119.04919	4.0
121.02850	3.3
122.03572	0.5
123.00771	2.5
123.04422	2.5
125.02345	2.3
129.01804	0.9
132.02046	0.9
133.02826	3.5
133.05042	0.5
134.03613	1.9
135.00795	3.3
135.02910	0.5
135.04396	1.7
136.01540	0.8
137.02327	2.9
139.00272	0.6
139.03876	0.5
141.04076	1.5
145.02815	0.8
149.02359	3.2
149.05888	0.6
150.03157	2.8
151.00275	2.3
151.03922	7.1
152.01053	69.0
153.01840	42.6
154.02190	1.9
155.03473	0.5
160.01556	0.6
161.02338	1.5
161.04440	0.6
163.03931	5.3
164.04520	1.2
165.01868	3.0
165.05457	3.4
166.02647	2.9
167.03342	1.4
173.04472	1.6
175.03929	1.6
176.01088	1.4
176.78278	0.5
177.01840	30.9
178.02235	1.0
179.03427	0.9
181.05003	4.0
190.02591	0.7
191.03450	0.8
191.05519	2.1
193.05006	1.8
195.06552	1.8
201.99852	0.5
203.03471	0.6
205.05013	0.7
219.02954	0.7
223.06224	0.7
225.04001	0.8
270.05362	0.8
271.05698	0.9
284.03302	1.1
285.03973	1.3
285.07697	1.9
286.07886	0.9
301.03256	0.7
315.07199	100.0
316.07504	5.9
339.07166	43.7
340.07520	3.2
357.08249	2.1
383.06155	27.7
384.06470	2.4
387.10693	1.1
401.07220	17.0
402.07513	1.5
403.13837	0.7
417.15579	4.0
418.15677	0.8
419.15924	0.6
535.31329	0.7
612.77899	0.5
646.48773	0.5
697.16107	3.2
697.25598	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	695.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34213	2.4
59.01240	6.5
63.84945	2.2
71.01244	5.5
73.02787	3.0
75.00733	4.0
85.02828	28.5
87.00754	6.5
93.03321	8.0
96.56071	2.3
98.92893	2.5
99.04371	2.3
101.02317	3.4
109.02830	3.2
111.00707	3.0
113.02299	3.1
119.04885	2.3
127.03927	2.9
129.01822	2.8
133.02826	5.8
135.04398	43.3
136.04799	2.7
140.70638	2.3
155.03401	2.4
161.02299	6.4
163.04008	3.1
170.46733	2.4
173.04420	8.1
173.05864	3.0
174.04857	2.8
179.02037	2.9
179.03421	26.5
191.01930	14.6
191.05525	100.0
192.05858	7.0
285.11444	2.6
327.08658	3.1
329.08667	2.5
353.08466	46.8
354.09085	6.1
356.78397	2.6
496.06113	2.6
501.13831	2.7
695.18127	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
61.98696	0.1
63.01958	0.1
63.02261	2.2
63.02571	0.2
64.99875	0.2
65.00182	1.4
65.00503	0.1
69.54250	0.2
69.54667	0.5
73.00367	0.1
81.03330	0.1
83.01257	0.8
85.02818	0.1
89.02343	0.1
91.01776	0.1
93.03359	0.2
95.01262	0.1
95.46071	0.1
96.95892	0.1
105.03341	0.7
107.00533	0.1
107.01271	2.5
107.01929	0.1
108.01575	0.1
109.02832	1.8
113.02319	0.2
119.01281	0.4
119.04879	0.2
121.02834	1.4
123.00755	0.1
125.02310	0.1
131.01295	0.1
132.02106	0.2
133.02843	8.1
134.03584	0.4
135.00743	0.2
135.04431	0.4
137.02351	0.1
141.07002	0.2
143.04875	0.3
145.02835	0.2
145.06425	0.1
147.00797	0.3
147.04411	0.4
148.01540	0.3
149.02338	2.9
149.05939	0.1
150.02872	0.1
151.00266	4.4
151.03882	0.3
152.00618	0.1
157.02826	0.2
157.06526	0.1
159.04434	0.1
161.02344	0.2
161.05934	0.1
163.00244	0.1
164.04671	0.4
165.01845	0.2
167.04944	0.1
169.01404	0.2
169.06473	0.2
171.04381	0.6
173.02310	0.1
173.05966	0.3
175.00294	1.9
175.03906	3.1
175.60400	0.1
176.01057	1.0
177.01848	0.8
179.06999	0.1
180.85391	0.1
183.04454	0.1
185.05995	0.8
186.06285	0.1
187.03922	0.4
189.01872	0.1
189.05484	0.3
190.02634	3.7
191.03413	1.2
193.04968	0.2
195.04527	0.2
196.05141	0.2
196.75507	0.1
197.02408	0.1
197.05983	0.3
198.03113	0.6
199.03923	2.9
199.05743	0.2
200.04404	0.2
201.01872	1.0
205.04994	1.2
208.15314	0.1
211.03894	0.5
212.04636	0.3
213.05447	0.7
214.02753	0.1
215.03491	0.6
217.04964	1.4
223.03960	0.3
223.06062	0.3
226.02733	0.2
227.03435	0.3
229.05057	0.5
232.03784	0.1
233.04567	0.1
239.03358	0.5
240.04109	0.2
241.05000	0.8
242.02095	0.2
243.02940	0.7
247.06070	0.1
255.03116	0.6
256.03763	0.8
257.04443	0.6
267.03015	0.5
268.03668	0.2
283.02374	0.4
284.03256	13.9
285.04025	100.0
286.04385	5.7
291.80194	0.1
299.05594	31.1
300.02765	0.1
300.05942	1.7
327.04745	0.1
395.09744	0.8
409.11575	0.1
467.06558	0.1
471.09317	0.5
489.10388	0.7
513.01843	0.1
695.16107	21.2
696.16370	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	695.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89970	0.4
57.29545	0.4
59.01260	1.9
64.54635	0.3
65.00204	0.7
67.37703	0.4
70.01750	1.8
72.99179	0.4
73.02811	0.6
75.00746	0.5
83.01271	0.6
85.02798	1.1
87.00735	0.4
89.02312	0.7
93.03320	1.0
96.95886	0.8
98.20458	0.5
103.33423	0.4
107.01258	1.7
109.02866	0.6
109.12807	0.4
113.02313	1.1
119.04922	0.4
121.02835	0.7
125.02301	0.6
133.02844	3.6
134.03651	0.8
135.04408	0.6
137.02342	1.3
140.33392	0.4
145.08614	0.6
149.02301	1.2
151.00282	2.7
151.03922	0.5
152.01018	0.4
158.52298	0.4
160.42220	0.4
161.02335	0.4
163.03949	0.5
173.04475	1.0
175.02524	0.4
175.03879	1.8
177.01779	0.4
179.03397	0.4
183.04460	0.5
191.05521	3.3
191.07129	0.5
192.05858	1.0
199.03943	1.4
201.01842	0.4
211.03952	0.5
212.04628	0.6
217.05067	0.9
227.03403	1.0
243.02864	0.4
255.03011	1.7
256.03748	3.0
257.04330	0.4
269.04532	0.6
283.02524	0.6
284.03265	57.2
285.04028	94.0
286.04398	7.1
297.03964	0.8
307.13962	2.5
327.05145	2.6
374.22906	0.4
387.16336	0.4
405.54593	0.4
447.09204	4.1
489.10373	100.0
490.10748	11.4
651.15662	6.2
652.15961	0.9
695.18475	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	695.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	13.2
63.02263	5.2
65.00190	14.2
67.01778	1.8
69.03334	3.7
69.16869	1.4
71.01265	11.2
72.99168	2.2
81.03338	2.4
83.01250	9.8
85.02831	7.5
87.00754	5.9
89.02312	4.1
93.03326	10.6
94.02828	2.1
95.01289	5.8
96.95901	3.9
97.02830	1.9
99.00745	4.5
101.02315	2.6
103.67138	1.6
107.01266	18.2
108.02068	5.4
109.02867	9.2
111.00758	20.6
113.02357	6.5
115.00226	2.3
117.03346	6.8
117.34778	1.5
119.04914	4.5
121.02833	6.9
123.00793	4.3
123.04411	1.6
124.01561	5.5
125.02319	13.7
132.02069	1.8
133.02815	4.1
133.04976	2.2
134.03644	5.2
135.00783	6.2
135.04428	6.7
136.01569	2.7
137.02344	8.2
139.00267	35.2
140.07071	1.7
142.53136	1.5
143.03433	1.5
143.04698	1.8
145.02853	4.4
147.04312	2.1
148.01561	2.8
149.02353	19.9
149.06038	1.9
149.99585	2.0
150.03110	1.8
151.00267	54.5
151.03976	2.7
152.01048	8.7
153.01836	47.2
161.02313	4.7
163.00259	9.8
163.03883	4.1
164.01044	3.3
164.04697	2.1
164.07133	2.0
165.01834	5.8
166.02650	3.2
167.03433	2.6
168.00473	1.8
169.01294	4.8
171.04425	2.5
173.04527	7.8
175.00371	2.0
175.02397	5.6
175.03947	4.9
177.01900	6.6
178.99768	15.8
179.03416	4.6
181.01343	15.4
181.04927	3.3
183.04475	3.3
185.02419	2.2
187.03978	2.6
189.01894	1.9
190.02647	2.5
191.05585	4.1
192.00575	45.9
193.01372	28.6
195.06590	2.0
199.04054	2.3
205.01340	1.9
206.02182	2.5
206.99277	17.3
207.99997	3.6
211.03944	3.1
215.03352	4.7
217.01347	2.5
217.05252	2.2
223.06119	3.5
227.03444	8.7
229.04967	3.9
231.02983	2.2
233.04410	3.6
239.03619	2.0
243.02968	3.3
245.04446	2.2
253.09787	2.2
255.02992	32.8
256.03598	5.7
257.04489	11.3
259.02353	2.3
267.07620	3.0
268.03738	10.8
268.08374	2.4
269.04501	37.1
270.04874	6.1
271.02460	5.7
272.03125	7.5
273.04129	2.7
281.09149	5.2
282.09619	3.4
283.02444	37.4
284.03058	13.4
285.04065	19.9
286.04431	3.8
286.12653	2.0
295.11014	3.5
296.11462	6.6
297.11929	2.5
299.01959	4.0
300.02731	62.3
301.03470	57.4
301.11966	2.0
302.03638	2.8
307.10910	5.8
315.07440	2.3
319.12994	1.9
351.09769	7.6
461.13101	3.1
489.12292	13.4
501.12494	6.0
503.14078	2.4
505.09863	2.7
506.19562	2.9
512.19330	2.3
529.11993	3.4
531.13550	20.5
532.13892	1.9
538.21960	7.9
543.13483	30.2
544.13953	3.2
557.11365	3.3
558.12360	9.0
559.11707	1.8
587.25726	2.1
609.14966	8.3
619.16364	11.0
631.81122	1.7
633.14728	6.4
634.15326	1.7
636.15729	1.9
645.25476	2.4
651.15594	100.0
652.16083	16.5
657.66943	1.7
663.26874	5.1
676.26685	9.9
677.27075	11.6
694.28760	2.8
695.28180	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	695.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
59.01251	1.2
61.98697	0.2
63.01963	0.2
63.02266	1.6
65.00191	0.9
69.27367	0.6
69.27802	0.5
71.01247	0.9
72.99164	0.1
73.02798	0.2
75.00713	0.2
81.03333	0.1
83.01263	0.7
83.04947	0.2
85.02316	0.1
85.02794	0.6
87.00742	0.3
89.02317	0.4
91.26762	0.1
93.03338	0.4
95.01263	0.2
95.40424	0.1
96.95873	0.2
98.20480	0.3
99.00727	0.2
101.02341	0.4
105.03330	0.7
107.01269	2.0
108.02068	0.4
109.02829	1.6
112.17305	0.1
113.02351	0.8
114.75992	0.1
116.92762	0.3
117.03314	0.2
119.04896	0.4
121.02846	1.4
123.04405	0.3
125.02338	0.3
130.97574	0.1
132.02080	0.5
133.02847	8.0
134.03653	2.5
135.04427	0.8
136.01498	0.1
137.02342	0.5
143.04967	0.1
145.02855	0.4
146.03603	0.2
147.04442	0.7
148.05180	0.2
149.01396	0.1
149.02336	3.1
149.05989	0.5
150.02763	0.3
151.00278	4.0
151.03923	0.7
152.01076	0.2
153.01846	0.4
157.06532	0.2
160.01573	1.7
161.02351	3.4
161.04456	0.3
161.05937	0.1
162.02722	0.2
163.03877	0.3
164.04721	0.9
165.05284	0.3
167.03444	0.2
169.01259	0.2
169.06436	0.1
171.04398	0.6
173.04523	0.2
173.05983	0.4
174.01778	0.2
174.03065	0.7
175.00581	0.2
175.02524	0.2
175.03922	4.7
176.01039	0.1
176.04691	1.0
177.01819	0.9
178.02492	0.1
179.03432	0.3
179.07130	0.2
183.13814	0.1
185.06009	0.7
187.03938	0.1
189.05472	0.5
190.02620	0.4
191.03194	0.1
191.05481	0.2
191.07065	1.0
191.08614	0.2
193.04968	1.9
195.04413	0.3
197.06017	0.3
198.03133	0.3
199.03943	2.5
200.04410	0.1
201.01909	0.7
202.02632	1.0
203.03387	0.3
205.04994	0.3
207.06541	0.4
207.30615	0.1
211.03918	0.3
212.04568	0.2
213.05450	0.7
215.03424	0.5
217.04994	8.2
218.05360	0.3
223.04062	0.2
223.06009	1.3
224.06487	0.7
225.06586	0.2
227.03445	0.1
229.04951	0.4
235.05914	1.4
239.03464	0.3
240.04237	0.3
241.04935	0.8
242.02046	0.2
243.03079	0.7
245.06067	0.1
253.08890	0.1
255.02951	0.1
257.04523	0.4
263.07104	0.4
267.02878	0.4
281.08170	1.0
284.03284	1.5
285.04025	100.0
286.04370	6.7
291.06613	0.2
293.08286	0.2
294.08578	0.1
296.10339	0.2
301.07501	0.1
308.10364	0.2
309.07712	2.9
309.11279	0.2
310.08020	0.2
323.09253	0.4
324.10004	1.2
337.09186	0.3
339.12375	2.8
355.10291	0.7
365.08881	0.3
489.10147	0.4
609.11908	0.6
651.13531	21.3
652.13806	3.5
695.35468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91734	3.2
57.03327	3.2
59.00986	4.1
59.01250	51.9
61.32035	3.3
61.98689	13.4
71.01247	26.9
71.59078	4.6
72.99159	5.3
73.02807	5.8
75.00743	6.1
78.95748	5.6
83.01258	5.6
83.04919	3.3
84.01542	3.1
85.02826	22.1
87.00740	4.5
89.02312	13.7
93.03319	5.5
95.01231	6.6
96.95896	17.6
99.00729	8.3
99.30666	2.9
101.02282	17.2
105.03374	3.7
109.02795	5.5
111.04433	3.7
113.02303	14.0
113.28396	3.8
119.03425	4.5
119.04847	3.7
123.04441	4.0
125.02294	8.6
125.09613	3.4
132.02098	3.9
133.02800	4.9
134.03592	9.5
135.04381	7.7
137.02342	7.9
140.82019	3.4
147.78683	3.8
149.02318	7.0
149.05984	3.3
151.03894	6.0
153.01845	4.6
160.01497	8.4
160.05338	3.6
163.03920	4.1
163.11255	3.7
164.04695	5.5
165.01877	3.6
171.10150	7.0
175.03920	12.3
177.01764	3.4
183.13786	13.3
184.14157	6.2
190.02707	6.1
191.05478	10.5
193.04976	15.6
205.04973	10.4
209.11757	100.0
210.12115	8.4
211.11473	4.9
211.13351	86.5
212.13655	4.9
223.06181	7.6
227.12845	19.0
235.08101	3.4
253.09177	10.7
267.07059	5.0
269.04465	4.8
284.03223	9.1
285.04068	40.1
362.11777	3.9
445.20905	6.8
447.22012	7.7
621.32599	19.5
639.33521	7.3
675.35175	4.9
693.21729	9.6
693.33716	21.7
694.34235	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	693.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24981	1.7
59.01246	28.6
61.98695	3.6
66.77204	1.5
69.98083	1.8
70.02783	7.1
71.01241	12.1
71.02351	1.4
72.36025	1.6
75.00738	1.9
78.95789	5.5
83.01275	2.1
83.04890	3.4
85.02827	4.2
89.02318	3.5
96.95905	5.2
97.02867	1.8
101.02325	6.8
113.02328	5.9
125.02370	2.5
131.23193	1.7
134.03610	1.7
137.02321	2.0
138.59705	1.9
141.52023	1.6
149.23659	1.7
153.09099	1.8
161.04500	3.6
171.10170	50.1
172.10519	2.3
183.13834	5.8
209.11745	41.0
211.13321	100.0
212.13701	7.5
221.84224	1.7
227.12778	13.4
235.08170	6.8
253.09216	9.0
295.22757	17.5
296.23056	2.3
298.78625	1.8
391.24921	1.6
397.13577	4.0
401.23376	3.1
407.19263	2.4
411.39050	2.0
415.14395	3.9
447.22379	12.7
621.30945	1.9
639.33698	3.0
657.35797	2.5
693.32861	14.7
694.33337	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	693.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53565	1.0
57.03332	1.2
58.11190	0.9
60.46873	0.9
69.40728	8.1
71.01243	3.0
73.21948	0.9
77.62015	0.8
85.02823	3.2
89.02330	1.5
93.03316	2.4
95.92173	1.0
96.95884	15.6
98.95483	1.8
101.02304	2.1
108.04430	1.2
109.02878	0.9
113.02350	3.3
115.00245	1.1
117.03342	15.9
119.04913	100.0
120.05229	3.9
121.02820	3.2
122.06004	2.6
133.06450	1.4
134.03658	2.5
134.06012	3.2
135.04407	2.7
135.06850	1.0
136.07585	1.2
140.07095	5.2
145.02849	61.5
146.03300	2.1
146.06001	1.2
147.00752	1.4
148.01535	1.2
149.02370	6.4
149.04750	1.9
150.03107	1.6
150.05472	1.2
151.46327	1.2
152.01018	1.6
152.06995	1.1
153.01796	1.1
159.04396	1.0
159.05556	1.1
160.04015	0.9
161.04703	2.4
161.05997	2.8
162.05502	3.4
163.03914	69.5
164.04688	6.6
164.07095	2.4
165.01779	1.0
166.04961	1.4
167.05791	1.0
167.35757	1.1
172.04036	1.3
173.04465	2.4
174.05536	1.8
175.00272	7.7
176.01070	6.3
177.05476	21.8
187.03917	1.7
189.03972	1.2
190.02649	23.0
190.04442	1.5
190.05086	1.2
191.03407	12.9
191.05473	3.4
193.01340	1.5
193.05063	1.6
204.06554	5.5
205.04997	26.5
205.06700	1.0
206.05357	1.6
208.03636	2.2
209.04376	2.9
211.08650	1.4
212.05710	4.6
223.06085	10.2
224.06238	1.1
225.06612	1.9
237.10202	5.5
239.08192	5.9
240.08978	1.6
241.09814	1.3
243.11311	2.1
250.80984	0.9
251.11952	1.4
252.12636	4.7
253.06163	6.8
253.09804	5.5
255.11249	2.3
259.10889	1.3
261.12271	1.1
266.06903	2.8
267.07672	8.2
267.11374	3.3
268.08545	5.6
268.12088	4.9
269.04233	1.2
273.12500	2.7
279.07813	1.3
280.08514	7.7
281.09283	14.3
282.09943	1.2
283.10675	1.1
285.08777	1.9
295.10834	18.5
295.13968	2.0
296.11578	13.2
297.09064	1.5
297.12259	7.8
299.10388	5.1
301.11792	3.1
303.13492	6.7
307.08206	2.2
311.10690	1.1
313.11865	2.8
325.09308	5.0
327.13443	5.6
328.14111	1.4
339.09885	1.7
340.10660	2.8
341.11356	3.0
349.13971	1.8
352.08231	1.3
353.08685	28.7
354.09091	3.0
367.10297	21.4
368.10553	1.6
371.12366	2.8
372.13220	1.9
373.13950	6.2
390.14484	3.3
404.16367	2.5
406.13824	1.4
407.14615	1.4
420.15198	1.9
434.13367	1.5
435.17960	1.3
466.16098	2.9
511.19699	9.6
512.20239	2.7
513.19946	2.0
531.14990	59.1
532.15271	9.6
599.25122	1.7
601.23126	1.8
633.25586	12.0
634.25574	2.1
643.23938	6.7
644.24390	1.5
661.25092	3.1
675.26630	44.8
676.26855	9.2
693.27917	18.7
694.27649	3.7
709.46783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06546	0.8
59.01250	7.7
67.01765	1.4
69.25919	9.1
71.01261	4.1
72.99167	1.1
81.03341	0.8
83.01270	1.0
85.02836	9.0
87.00744	2.1
89.02327	1.1
93.03333	14.6
95.01295	1.0
96.95879	6.3
101.02310	2.1
106.06443	0.8
108.04420	2.3
109.02827	1.8
111.00769	1.4
111.04385	0.8
113.02335	2.7
119.04910	3.7
119.32893	0.8
122.06005	4.8
125.02305	1.6
127.03888	1.0
134.03635	1.8
134.06010	5.5
135.04466	1.1
135.06879	1.1
136.07558	2.5
137.02368	1.4
140.07089	9.1
141.04053	1.2
144.04465	1.1
145.02898	1.6
146.05995	1.9
148.04025	0.9
149.02350	1.2
149.04727	3.0
149.05861	1.1
150.05547	1.6
151.00235	1.1
151.03903	1.5
153.01915	0.9
155.03418	1.3
160.03935	2.0
161.02400	1.3
161.04692	4.6
162.05515	4.2
163.03886	2.5
163.06168	0.8
164.03436	1.4
164.07056	3.7
166.05045	1.4
168.00623	1.3
168.62488	0.8
172.03920	1.9
173.04482	32.3
174.05481	3.0
175.03918	1.3
175.06345	1.0
176.07048	1.2
179.03441	1.4
189.98883	0.8
190.02672	1.3
190.05019	2.1
191.05542	46.5
192.05841	1.6
193.05011	0.9
195.06502	0.9
195.08098	0.8
197.09660	3.3
204.06584	7.3
205.05020	2.1
209.10895	1.0
211.04904	1.0
211.08835	1.2
212.05856	10.4
212.09367	1.7
213.10252	1.4
213.12642	0.9
223.29642	0.8
225.06635	2.4
225.10262	1.4
226.07349	1.2
227.11890	1.8
228.12488	1.5
229.13312	0.9
237.10329	8.4
238.11148	1.1
239.08261	8.9
239.10666	1.7
240.08926	3.1
241.09714	1.0
242.28207	1.0
243.11322	2.3
251.08273	1.9
251.11853	2.2
252.09019	2.8
252.09966	2.3
252.12585	8.7
253.06168	11.7
253.09785	11.3
253.13402	2.1
254.10263	1.5
255.11366	4.5
257.09274	1.2
261.12451	1.5
265.06335	1.6
266.06927	3.4
267.07712	15.6
267.11353	6.2
268.08505	11.0
268.12149	11.0
269.04462	1.3
269.09134	1.0
269.12820	1.8
270.10156	0.9
271.10193	1.3
273.12457	3.7
277.09747	1.0
279.07785	4.3
279.11057	1.3
280.08508	12.5
281.09305	23.4
282.09781	3.1
283.09970	4.0
285.08780	4.4
285.12250	1.4
294.10147	1.0
295.10880	35.3
296.11621	25.5
297.12393	12.8
298.09534	1.4
298.12775	1.1
299.10303	9.2
300.11026	4.5
301.11429	5.1
303.13513	9.4
306.08856	1.1
311.10324	1.7
312.10828	1.0
313.12048	3.6
322.14975	0.9
327.09689	1.7
327.13489	9.2
328.13892	1.9
329.15048	1.1
331.06628	1.4
339.09796	6.8
340.10611	4.9
341.11441	5.6
356.61249	0.8
371.12592	5.9
372.13193	6.3
373.13971	14.6
390.14624	5.2
392.16110	1.1
404.16135	3.0
406.13821	1.9
407.14651	1.2
420.15540	2.0
434.13388	3.2
435.18335	1.2
438.16577	1.6
448.15021	1.8
452.18280	2.0
466.16022	3.0
479.17175	1.9
480.17853	1.9
501.14063	9.6
502.14230	2.3
511.19522	20.8
512.20282	5.7
519.15125	4.8
531.14691	1.8
531.21753	1.2
577.24310	1.0
601.23157	1.8
633.25677	25.0
634.26056	4.1
643.23969	9.1
644.24115	1.2
647.27148	1.6
661.24762	1.7
675.26672	100.0
676.26990	18.8
681.77576	1.0
693.28571	25.2
694.29218	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	693.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10185	1.4
54.95889	1.5
57.03307	2.7
59.01253	13.2
67.40302	1.5
69.03326	3.5
71.01256	9.2
71.59441	1.9
81.00798	1.5
83.04131	1.8
84.04366	1.8
85.02834	8.5
87.00751	2.9
89.02317	3.3
93.03329	6.0
94.02853	5.5
95.01218	2.6
96.95894	10.3
99.00758	3.3
101.02325	3.6
105.64671	1.7
106.06509	1.7
108.02047	2.7
108.04418	3.8
109.02831	7.0
110.06006	2.2
111.00793	2.3
113.02315	5.7
115.00236	1.9
117.03349	2.8
119.04887	6.5
122.05991	5.5
123.04314	1.9
125.02306	4.5
134.03622	5.8
134.05997	6.6
135.00772	2.5
135.04378	3.5
136.01500	1.5
136.03917	1.6
136.07642	1.8
137.02374	2.0
138.05493	6.2
140.07037	5.8
141.04115	1.9
145.02840	6.4
149.02356	5.1
149.04718	3.1
150.03180	2.2
151.00233	2.5
151.03914	2.2
152.01019	5.4
153.01840	7.4
159.26515	1.5
160.01556	5.6
160.03906	2.9
161.02374	2.7
161.04654	5.7
162.05479	3.1
163.03928	7.7
164.03409	1.8
164.04689	2.1
164.07050	3.9
165.05518	3.1
168.00511	1.6
173.04434	4.5
174.05583	1.6
175.02466	3.7
175.03949	6.0
176.07155	1.9
179.03397	3.2
185.00826	3.0
187.08554	1.8
190.02655	2.5
191.03784	1.8
191.05492	8.6
193.04953	4.7
195.06572	1.6
204.06699	7.3
205.05022	3.8
212.05815	9.2
223.06039	3.7
225.06563	1.7
225.10202	2.5
227.11810	1.9
237.10236	10.5
239.08200	9.3
240.08908	2.2
243.11356	2.8
249.10216	2.2
251.08063	2.2
251.12067	2.4
252.12593	8.7
253.06253	8.1
253.09819	9.0
254.10179	2.6
255.02844	1.5
255.11307	4.5
263.08185	5.0
264.08749	2.4
265.06168	1.9
265.09848	1.9
266.06952	5.2
267.07690	15.5
267.11328	5.8
268.03693	4.0
268.08633	10.2
268.12033	10.8
269.04498	7.1
270.05106	1.6
271.10928	3.0
272.11362	1.7
273.12482	4.3
276.08972	2.2
277.09818	8.4
277.12555	1.8
278.10593	4.4
279.07703	5.7
279.11118	2.7
280.08554	10.7
281.09314	24.7
283.10840	2.1
285.03964	4.4
285.08862	4.3
291.07748	29.7
292.08304	1.9
295.10876	35.0
296.11609	25.3
297.12326	13.6
299.05063	2.0
299.10324	9.4
300.11227	3.6
301.11972	4.4
303.13535	10.3
305.09274	4.9
306.10095	23.7
307.10687	5.5
313.08582	1.7
313.12000	4.2
321.12305	2.4
327.13556	8.7
331.06848	2.7
338.09155	3.1
339.09686	5.2
340.10406	3.2
341.11130	3.1
350.09073	46.9
351.09348	5.7
365.11371	7.9
370.11752	2.2
371.12424	4.1
372.13214	4.0
373.14026	10.5
386.15442	1.7
390.14539	5.3
406.14044	3.5
407.14523	2.7
412.12946	2.1
420.15942	2.8
430.13547	7.5
434.13290	4.0
435.18237	3.2
438.16830	2.4
445.16458	6.3
446.17075	5.5
448.14999	2.3
460.18817	2.9
466.16092	5.0
477.15756	3.0
480.17874	2.3
487.15427	3.8
489.15457	3.8
490.16260	7.1
492.21857	3.8
505.18085	3.6
507.24576	3.2
511.19754	12.0
512.19867	3.9
521.17981	6.6
522.18799	5.0
531.22119	5.5
537.21002	3.1
567.22003	3.1
577.15601	3.3
585.23383	11.2
599.25159	4.7
601.22534	1.8
617.26208	11.3
629.22949	8.3
633.25604	22.2
634.26245	3.3
643.23932	6.1
649.17780	2.6
661.25104	54.9
662.25372	12.8
675.26685	100.0
676.26996	23.5
693.27740	72.1
694.28406	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	693.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02546	0.5
57.03330	0.6
59.01252	8.2
60.01593	0.4
61.62903	0.5
61.98705	1.0
65.00194	0.7
70.97809	0.4
71.01249	4.5
72.99173	0.7
73.02817	1.3
75.00731	1.0
76.26713	0.4
78.95737	0.4
83.01251	1.3
85.02824	2.6
87.00767	0.8
88.18378	0.4
89.02323	1.2
93.03329	1.4
95.01273	1.5
96.95866	2.9
99.00764	1.3
101.02341	2.4
107.04922	0.4
107.07423	0.4
109.02821	1.0
111.00761	0.8
113.02341	3.1
117.03319	1.2
119.03444	0.6
119.04887	1.6
121.02844	9.3
122.03190	0.6
125.02322	1.3
127.00223	0.5
132.02095	0.9
133.02849	0.6
134.03635	4.5
135.04430	1.1
137.02240	0.8
139.00198	0.6
145.02812	0.5
147.04419	4.5
149.02341	59.4
150.02711	2.0
151.00244	0.7
151.03908	1.6
152.01042	1.2
153.01802	0.8
160.01578	2.7
161.04491	0.9
163.03897	1.9
164.04691	48.7
165.01862	0.6
165.05101	1.9
165.12880	0.6
167.03430	0.5
171.10141	0.6
175.00278	3.7
175.03906	3.1
177.05389	0.5
179.03439	0.5
179.07062	5.0
190.02644	8.8
191.05438	0.6
193.01337	0.7
193.04974	4.5
201.11278	1.6
205.04979	11.3
206.05292	0.7
208.03729	1.7
209.11763	4.1
210.12140	1.9
223.06056	100.0
224.06378	4.8
227.12831	0.7
228.13158	0.9
267.07281	0.9
269.10391	0.9
285.03934	0.6
383.13422	1.3
443.15482	1.5
445.14874	1.6
487.16302	1.3
555.15405	0.8
649.21332	2.0
693.22687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.1
62.49397	0.8
65.61897	0.9
71.01241	3.9
71.58463	1.7
82.05032	0.9
85.02831	1.9
87.00725	1.0
89.02350	1.3
93.03326	2.3
96.95889	17.2
98.95456	2.0
101.02312	1.8
104.71631	0.9
108.02058	1.0
113.02320	2.6
117.03342	16.1
119.04911	100.0
120.05258	2.6
121.02841	3.0
122.06020	1.6
123.81582	0.9
125.02276	1.0
132.05658	1.1
133.06534	1.6
134.03619	1.2
134.06020	3.3
135.04385	1.2
136.07573	1.7
139.57518	0.9
140.07068	4.5
145.02850	61.7
146.03188	2.6
146.05984	1.3
147.00774	1.2
147.04446	0.9
149.02325	7.7
149.04733	2.1
150.03136	2.3
152.01077	1.3
160.03915	1.0
161.04672	3.0
161.05994	3.9
162.02985	1.3
162.05492	2.0
163.03917	66.3
164.04677	7.0
164.07069	1.8
166.05043	1.1
173.04416	1.4
175.00227	9.5
175.03912	1.1
176.01057	8.1
177.05495	22.1
179.07098	1.3
187.03923	2.1
190.02634	22.9
190.04433	1.4
191.01706	1.1
191.03444	15.8
191.05400	2.2
193.01428	0.8
193.05090	0.9
194.01959	1.0
204.06593	3.3
205.04991	26.5
206.05327	1.6
207.02831	1.5
208.03723	2.6
209.04390	2.8
212.05858	4.6
223.06094	10.6
225.06615	1.7
228.12712	1.0
237.10287	3.2
239.08226	3.6
239.11665	0.9
243.11308	1.7
247.06032	0.9
252.12663	4.0
253.06241	5.4
253.09840	4.7
254.10182	1.0
255.11330	3.3
261.12436	1.5
265.06284	1.2
266.07007	1.7
267.07684	6.9
267.11035	1.7
268.08450	3.6
268.12164	2.9
269.04639	1.1
273.12393	3.1
279.07480	1.9
280.08545	3.8
281.09286	11.8
285.04315	1.2
285.08795	2.1
295.10858	17.8
296.11588	12.3
297.12332	5.6
299.10306	3.1
300.11008	1.5
301.11844	1.6
303.13458	4.4
307.08270	3.1
313.11819	2.4
325.09219	4.4
327.13516	3.8
328.10843	1.0
338.06158	1.8
339.09906	3.4
340.10620	2.8
341.11203	2.5
352.08115	2.1
353.08740	27.3
354.09091	1.8
367.10315	20.0
368.10739	1.4
371.12445	2.4
372.13168	2.6
373.14059	4.3
390.14508	3.1
406.13937	1.4
429.13879	1.0
449.32825	1.1
466.16193	1.8
511.19540	7.2
512.20239	1.4
513.19696	1.1
531.14978	59.0
532.15411	7.1
599.25409	1.3
601.22742	1.3
633.25470	9.2
643.23816	6.5
661.25134	2.8
675.26733	36.1
676.26752	5.2
693.27942	10.3
694.28046	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	693.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79535	0.3
57.03326	0.7
59.01247	3.1
59.79690	0.3
65.82270	0.3
67.01752	0.7
69.03308	0.5
69.36257	1.2
69.36674	1.9
71.01254	2.5
73.02808	0.4
81.03305	0.6
83.01278	0.3
83.04860	0.5
85.02824	9.9
86.03171	0.4
87.00751	3.0
90.75634	0.4
93.03333	11.5
94.03660	0.4
96.95892	9.9
97.95824	0.4
98.95470	5.2
98.96242	0.7
99.04414	0.5
101.02299	0.4
105.73436	0.4
109.02832	0.9
111.00778	0.9
111.04413	2.5
113.02319	0.7
117.03357	1.8
119.04906	4.7
125.02358	0.8
127.03912	2.3
129.15988	0.4
133.06448	0.4
134.03670	0.8
137.02316	1.0
137.27269	0.3
137.42769	0.4
145.02855	5.9
153.01855	0.5
154.72012	0.3
155.03413	1.1
163.03915	6.0
164.04521	0.4
168.00621	0.5
171.02882	0.7
173.04466	15.5
175.03915	1.0
187.03966	0.4
190.02698	0.8
191.05540	100.0
192.05914	3.2
193.05002	1.3
195.08116	3.1
197.09637	3.0
205.04970	1.0
211.07600	0.8
223.07626	1.0
229.08495	0.4
233.06586	1.6
239.10715	3.1
241.08667	0.7
257.11902	0.4
283.09702	4.6
284.10092	0.6
285.07468	0.5
301.10767	1.0
325.09338	1.5
327.08777	1.0
331.06760	0.7
337.09177	0.4
345.09317	0.4
367.09998	0.5
399.05725	0.4
430.77988	0.4
457.15009	2.7
458.15601	0.6
501.14008	14.7
502.14249	2.0
519.15100	2.7
520.15417	0.5
531.14972	3.5
599.10895	0.3
607.59314	0.4
647.92291	0.4
693.20129	10.9
694.20667	1.6
723.82526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73794	0.3
57.03323	0.5
59.01247	5.8
63.02725	0.4
67.01740	0.9
67.46613	0.4
69.03326	0.7
69.24695	0.4
70.05052	0.3
71.01254	1.7
72.99155	0.6
79.95604	0.6
81.03311	0.5
83.04908	0.7
85.02820	10.3
87.00758	2.6
89.02314	0.5
93.03328	16.6
96.95882	21.6
98.19749	0.8
98.95464	7.8
98.96285	1.6
99.00735	0.5
101.02375	0.4
106.04153	0.3
108.02047	0.5
109.02807	1.2
111.00748	1.5
111.04388	2.9
113.02287	0.9
119.04886	2.0
123.00771	0.4
124.95710	0.4
125.02328	1.3
127.03878	3.2
129.01836	0.5
134.03653	0.4
135.04359	0.9
137.02313	1.4
145.06544	0.5
149.05968	0.9
149.99501	0.4
153.01810	0.8
155.03389	2.3
163.03925	0.6
168.00560	0.8
171.02910	0.7
173.04471	14.1
173.05997	0.9
173.35263	0.4
175.03806	0.5
178.02682	0.4
182.07234	0.7
185.06018	0.4
191.05524	100.0
192.05885	3.2
193.04996	1.1
195.08081	4.9
196.08658	0.5
197.09644	6.6
198.09940	0.6
211.07622	0.9
211.11290	0.5
213.12796	1.0
223.07602	2.5
230.09285	0.5
237.09114	0.9
238.50209	0.4
239.10748	5.1
241.08664	1.5
257.11911	0.8
283.09735	8.7
284.10034	0.8
285.04034	0.5
301.10727	4.1
327.08600	1.9
330.17612	0.4
337.09305	0.6
345.09662	1.1
415.13785	0.8
425.21228	0.4
457.14899	1.1
469.35248	0.5
475.16129	0.5
487.10898	0.6
501.13947	13.5
502.14355	1.7
519.14984	7.4
520.15259	1.0
531.21594	0.6
593.15466	0.6
693.20099	9.2
694.20618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06342	0.3
56.78207	0.3
59.01255	2.8
62.29285	0.3
63.02258	0.4
69.03306	1.2
71.01588	0.4
71.36430	0.7
73.02808	0.4
75.00731	0.4
78.95766	0.3
83.01245	0.5
85.02794	1.1
87.00703	0.7
88.17110	0.3
88.67152	0.3
89.02294	0.6
93.03312	0.7
95.01293	0.4
96.95882	2.8
97.02818	0.5
99.00757	0.4
101.02301	0.7
107.01260	0.6
108.02052	0.8
109.02820	0.4
113.02297	1.1
115.97114	0.2
119.04900	0.9
121.02820	0.4
125.02284	0.5
132.02037	0.4
133.02859	0.4
134.03590	1.1
135.04402	0.5
136.59930	0.3
137.02332	0.7
145.02786	0.4
148.01564	0.5
149.02324	0.7
149.05968	0.3
151.00238	1.5
152.01019	0.7
153.01726	0.5
155.22107	0.3
160.01553	0.7
163.03906	0.9
165.05460	0.3
167.03378	0.4
173.04471	1.0
175.00238	0.5
175.03839	0.6
177.01752	0.3
179.03459	0.4
185.00757	0.5
190.02567	0.6
191.03491	0.4
191.05487	1.0
193.04948	0.9
205.04970	0.7
211.03932	0.9
223.06067	0.7
227.03493	0.5
255.02887	2.5
256.03677	2.7
267.07343	0.4
269.04568	1.7
283.02451	0.7
284.03232	100.0
285.03616	8.1
297.03894	0.6
299.05579	84.0
300.05911	6.6
313.06708	0.4
321.14301	0.3
341.06628	1.0
349.14127	0.6
389.68265	0.3
429.71014	0.4
487.12729	0.6
503.12177	1.4
504.12567	0.3
507.24384	1.0
536.16089	0.3
585.23468	0.3
589.15820	2.7
607.16559	5.5
608.17059	0.4
648.27008	0.3
649.17639	30.2
650.17963	5.0
675.25323	0.5
693.32751	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01256	0.7
67.01762	0.4
69.03318	0.1
69.63416	0.8
71.01260	0.7
73.02820	0.3
73.64705	0.1
80.23174	0.1
83.04877	0.3
83.65776	0.1
85.02817	7.9
87.00747	1.4
87.93297	0.2
91.19404	0.1
92.43067	0.2
93.03328	3.1
94.03658	0.2
98.37178	0.2
99.04450	0.2
109.02830	1.0
111.04383	1.0
113.02265	0.2
119.04932	0.6
125.02364	0.1
126.82449	0.1
127.03898	1.9
129.01825	0.3
133.02837	1.1
135.04420	1.6
136.04768	0.2
137.02373	0.2
147.04381	0.4
149.05946	0.3
150.03099	0.2
155.03395	0.2
161.02339	2.2
163.03903	0.9
164.04092	0.2
171.02899	0.5
173.04472	2.0
173.05835	0.3
175.03854	0.2
177.01791	0.2
179.03403	1.1
189.05609	0.3
189.60443	0.1
191.05530	100.0
192.05873	3.7
193.06126	0.2
203.07158	0.2
227.06909	0.3
256.10742	0.2
327.08774	0.7
339.07001	1.5
339.10306	0.2
346.22174	0.2
351.07162	0.4
353.08734	15.6
354.09183	1.4
387.65231	0.2
425.02963	0.2
501.14053	0.5
537.53387	0.2
693.18335	0.4
713.87469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	24.2
69.03323	7.5
71.01257	14.3
71.58984	2.7
71.59370	2.8
72.99174	3.6
73.02816	3.8
75.00729	6.0
81.03340	2.5
83.01244	3.7
85.02852	14.0
87.00750	7.1
89.02332	10.6
93.03332	8.9
95.01252	3.5
96.95885	20.9
98.95435	3.4
99.00735	4.1
101.02327	6.1
108.02054	7.6
109.00943	2.0
109.02826	5.6
113.02324	8.4
115.00295	4.1
117.03329	3.3
119.03386	2.3
119.04897	4.0
122.06007	3.7
123.00808	2.8
123.04384	3.5
125.02324	11.3
129.01895	2.3
133.02852	2.4
134.03683	11.1
134.05989	2.4
135.04402	7.8
137.02321	9.6
141.04089	4.1
145.02853	2.7
145.08603	3.5
147.93906	2.5
148.05072	2.1
149.02335	9.9
149.99445	2.9
150.03143	7.7
150.07030	2.3
151.00273	4.4
151.03877	7.0
152.01003	6.3
153.01807	8.2
155.03456	2.9
159.04411	1.9
160.01613	5.0
160.03986	2.0
161.02385	5.2
161.04463	5.0
162.05585	2.0
163.03850	7.9
164.04674	3.0
165.01839	2.0
165.05469	5.5
166.02609	2.7
167.03349	5.4
167.05775	1.9
168.00526	5.4
173.04457	9.3
174.01660	2.4
175.02458	4.6
175.03893	5.8
179.03366	5.6
181.04926	2.5
185.00807	3.2
190.02664	3.7
191.05498	10.8
193.01401	2.8
193.04980	6.6
195.06596	3.4
205.04994	5.1
223.06067	6.5
227.03387	3.4
253.06256	4.6
253.09862	2.7
255.02974	40.0
255.11194	2.2
256.03513	4.4
267.07477	6.1
268.08539	2.8
269.04599	14.3
271.02591	5.2
280.08673	3.1
281.09241	4.1
283.02432	14.0
284.03256	92.4
285.03955	18.0
295.11002	11.0
296.11664	6.4
297.04080	11.4
297.12341	2.9
298.04819	12.0
299.02499	4.1
299.05591	90.6
300.05969	8.6
303.13501	3.2
327.08759	2.2
331.06656	8.1
359.56812	2.4
392.12189	2.6
399.05466	2.3
467.21185	2.5
607.16394	3.7
617.17798	2.4
633.25708	5.4
643.24146	2.6
649.17804	100.0
650.18195	13.4
675.26508	21.6
693.27942	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	691.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41710	0.4
57.03311	1.0
59.01246	6.9
61.98684	0.8
64.09357	0.4
69.03320	0.9
69.63916	0.8
69.64318	2.2
69.94776	0.4
71.01249	5.6
73.02819	1.5
75.00745	0.9
80.02554	1.1
81.03320	1.2
83.01260	1.2
83.04890	4.3
84.02026	0.5
85.02816	2.3
87.00748	1.1
89.02308	2.7
93.03323	1.4
95.01231	1.1
95.04922	0.4
96.95900	3.1
97.02866	0.5
97.06470	0.7
99.00758	0.9
101.02316	3.6
108.02058	0.9
109.02827	1.1
113.02319	3.2
115.03905	0.4
119.03455	0.6
119.04872	0.9
121.02820	0.9
122.06004	0.5
123.04409	0.6
123.08024	0.5
125.02319	1.3
125.09617	1.1
127.11192	1.5
131.74670	0.4
133.02866	0.6
134.03622	2.0
135.00769	0.6
135.04402	0.9
135.08058	1.1
137.02312	1.7
141.04102	0.6
143.03429	0.6
145.02837	0.5
145.04979	0.5
149.02330	1.2
150.03055	0.9
151.00240	0.7
151.03870	0.9
152.01016	1.1
153.01860	1.3
155.10762	0.5
160.01535	1.3
161.02361	1.0
161.04515	1.1
163.03879	1.2
163.11194	3.3
165.05463	0.5
165.09087	1.0
165.12802	2.0
167.03481	0.5
171.10167	3.0
173.04448	1.1
175.03943	1.1
179.03371	0.7
179.07051	1.6
181.12303	0.6
185.11710	0.7
190.02617	0.9
191.05522	1.2
191.10629	0.8
193.04994	2.7
201.11256	23.0
202.11610	1.0
205.04977	1.2
209.11763	100.0
210.12080	6.3
223.06139	0.8
225.11307	0.6
227.12851	14.6
228.13150	1.2
235.08220	2.7
241.09775	0.7
253.09296	8.4
259.10825	0.6
266.90909	0.5
270.10040	0.5
271.10797	1.2
284.03336	0.8
285.03989	2.0
301.11902	1.9
331.06625	0.5
383.11670	1.0
393.22940	0.7
437.20151	1.2
445.20737	2.2
597.22180	0.5
598.23810	0.5
631.23877	0.7
641.22522	0.8
659.23285	0.6
673.25146	2.2
691.25623	1.9
692.25647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88375	0.5
55.01739	1.8
57.03322	2.3
58.00479	3.3
58.47404	0.4
59.01248	55.9
60.99145	0.4
61.98683	2.3
62.78970	0.5
67.01736	0.7
68.99684	0.8
69.03330	3.7
71.01250	49.8
71.04877	3.9
72.01573	0.7
72.99180	5.1
73.02818	8.5
75.00735	1.1
78.95770	2.7
81.03307	2.6
83.01258	6.5
83.04871	1.3
85.02817	11.5
85.99974	0.7
87.00743	11.3
87.04382	0.7
89.02312	41.7
90.02637	0.7
91.03858	0.9
93.03340	1.0
95.01271	3.9
95.04890	0.7
96.95871	2.0
96.96861	0.4
97.02820	8.4
97.06435	0.6
98.19746	0.9
99.00760	3.3
99.04375	0.7
101.02319	37.2
102.02668	0.8
103.00191	0.7
103.03864	0.5
104.95260	0.4
109.02794	1.3
109.06467	2.0
111.00769	0.6
111.04406	1.3
111.07967	0.5
113.02322	20.2
114.02637	0.4
115.03858	1.3
119.03383	13.7
121.02836	0.9
123.04384	0.6
124.01498	0.7
125.02326	15.6
125.09543	0.8
127.03896	0.9
131.03381	2.1
133.04990	0.8
135.04385	0.6
137.02336	0.8
139.03893	0.9
141.01791	0.8
143.03391	6.3
149.02203	0.5
149.04468	1.5
152.99512	1.5
160.01707	0.4
161.02359	0.5
161.04463	8.8
163.11186	1.3
167.03363	1.1
169.05029	0.5
171.10190	1.9
175.03874	0.7
179.05518	8.0
181.12259	0.6
183.13782	1.1
185.04500	1.3
185.11711	0.9
191.05539	0.7
191.17957	0.5
197.11751	0.5
199.06050	0.5
199.09660	0.6
201.11290	1.0
207.10168	2.7
209.11768	4.1
209.15359	1.7
210.12119	1.0
211.13342	4.3
212.13696	0.9
217.07007	1.3
217.15935	0.6
221.06598	3.5
221.15353	0.9
223.13399	0.7
223.16986	3.2
225.11235	2.2
227.12932	0.7
231.21149	2.0
235.05768	0.9
235.08182	15.8
235.16991	25.2
236.08614	0.8
236.17296	2.0
243.12274	0.5
245.93248	0.5
249.61023	0.5
253.09262	5.8
263.07831	1.1
275.20145	27.3
276.20593	2.3
277.09293	1.3
287.07709	3.5
291.19635	1.2
292.19928	0.7
293.21210	100.0
294.21545	7.7
305.08813	4.6
323.09799	2.0
361.11578	0.7
373.23669	1.0
379.12564	1.3
383.22479	1.0
391.24826	0.9
397.13474	81.4
398.13791	5.9
401.23337	1.3
415.14545	43.6
416.14908	3.1
419.24487	1.5
445.20914	0.5
532.89539	0.5
619.31390	1.4
637.32739	1.3
638.32983	0.8
655.33105	0.6
667.30243	0.5
673.33893	0.7
691.34882	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10015	0.2
55.01749	0.4
57.03306	0.6
58.00459	0.7
59.01247	17.0
60.01555	0.2
69.03320	0.7
71.01250	11.2
71.44832	0.4
72.99176	0.9
73.02811	2.1
81.03306	0.5
82.05141	0.2
83.01232	0.9
85.02821	2.7
87.00735	2.4
88.08032	0.2
89.02311	10.5
95.01249	1.0
97.02824	1.9
97.19183	0.2
99.00744	0.6
101.02314	9.2
101.94835	0.2
111.00701	0.3
111.04406	0.4
111.08005	0.3
113.02322	4.8
113.09628	0.3
115.03896	0.3
119.03371	3.2
125.02322	3.3
127.03881	0.2
131.03377	0.4
133.04930	0.3
139.03896	0.3
141.01849	0.4
141.09061	0.4
143.03380	2.2
149.04376	0.3
161.04443	1.9
167.10603	0.3
179.05505	2.9
179.14336	1.0
195.13824	7.0
196.14462	0.8
205.12274	0.7
211.13358	0.5
217.07178	0.3
221.06598	0.9
223.13336	5.6
224.13695	0.4
228.13683	0.4
235.08154	2.9
249.22246	0.4
253.09372	1.3
256.13263	1.1
263.07468	0.4
275.20148	3.4
287.07721	0.5
293.21194	100.0
294.21512	8.5
305.08844	0.7
323.09772	0.5
397.13455	21.1
398.13831	1.5
415.14539	25.7
416.14807	1.6
654.27771	0.4
691.34631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25271	1.0
57.03328	2.6
59.01245	16.7
61.98702	5.7
69.03317	2.1
71.01248	22.0
72.99156	1.5
73.02815	2.0
75.00752	1.8
78.95772	1.9
80.02526	1.8
81.03327	2.7
83.01263	2.5
83.04904	6.4
84.02031	2.2
84.22433	1.0
85.02821	5.6
87.00761	4.1
89.02310	6.7
93.03310	1.3
95.01254	2.0
95.04902	2.8
96.95894	5.8
97.02827	1.7
97.06452	6.7
98.20558	1.7
99.00755	2.5
101.02322	7.2
104.06775	0.8
109.02844	1.0
109.06459	2.6
111.00784	1.2
113.02330	7.2
119.03374	1.9
121.02920	1.3
125.02370	1.7
125.05974	1.5
125.09637	1.7
134.03609	2.0
135.04404	1.8
137.02307	1.0
145.04929	1.3
149.02348	1.9
150.03145	2.2
151.03862	1.2
151.11192	17.2
152.99580	0.9
160.01579	1.4
161.04453	3.6
163.11145	4.4
165.05476	1.1
165.12756	3.6
167.03293	0.9
169.12251	75.8
170.12587	2.9
171.10168	10.3
172.10518	1.1
175.03825	1.4
181.12244	2.1
183.13849	3.1
185.11792	2.7
190.02553	1.2
191.05440	1.3
193.05002	1.4
195.06491	1.2
195.10213	3.4
199.09711	1.5
199.13329	2.1
201.11264	3.2
205.05067	2.0
207.10246	5.8
209.11760	79.0
210.12073	6.3
211.13358	14.9
212.13689	1.8
213.11223	10.2
223.06189	2.0
225.11218	5.1
227.12823	9.6
229.14345	2.0
229.25473	1.2
235.08159	3.2
247.13286	1.9
253.09192	7.1
267.07181	2.2
275.20056	1.5
285.03983	2.2
293.21155	3.0
322.20465	0.9
325.28928	0.9
353.10278	2.2
383.22128	1.0
397.13495	1.3
401.23389	2.1
415.14685	1.4
431.19101	2.0
449.20294	6.4
454.25323	1.0
619.31238	1.5
637.32306	6.0
641.31342	2.5
655.32715	2.0
659.32800	100.0
660.33057	19.5
673.33929	1.2
691.18860	1.8
691.34991	9.8
692.35071	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.6
57.03327	0.7
58.00459	0.8
59.01250	16.8
60.01567	0.4
61.98696	0.5
69.03321	0.9
70.65469	1.2
71.01254	14.4
72.99166	1.2
73.02827	2.4
75.00751	0.7
78.95760	0.7
81.03310	0.5
83.01260	1.3
83.04890	0.4
85.02830	3.2
86.66442	0.3
87.00756	3.2
89.02315	10.5
89.16668	0.3
93.03303	0.3
95.01254	1.3
96.95888	0.9
97.02837	2.2
97.06454	0.5
99.00751	0.9
99.32152	0.3
101.02324	10.3
109.02839	0.6
109.06481	0.7
111.04425	0.5
111.08014	0.4
113.02336	5.4
113.09594	0.4
115.03850	0.5
119.03399	2.9
125.02358	3.0
131.03473	0.5
139.03838	0.4
141.01793	0.3
143.03410	1.5
149.04518	0.3
152.99573	0.3
161.02357	0.3
161.04514	2.1
163.11293	0.5
167.10646	0.5
171.10205	1.5
179.05547	3.0
179.10652	0.3
179.14323	0.7
181.12314	0.5
183.13893	0.6
185.49155	0.3
191.05525	0.5
195.13840	7.5
196.14381	0.9
205.12268	0.8
205.16045	0.5
207.10234	1.1
209.11728	2.1
210.12074	0.5
211.13367	4.0
212.13736	0.4
221.06627	1.1
223.13326	5.7
224.13817	0.4
225.11308	0.8
228.13551	0.6
231.21210	0.4
235.08205	3.5
242.62663	0.4
249.22017	0.4
253.09254	1.1
256.13141	1.0
263.07660	0.7
265.21762	0.5
275.20123	4.0
287.07819	0.8
291.19638	1.1
292.19955	0.7
293.21225	100.0
294.21573	9.0
305.08676	0.8
323.09866	0.5
397.13495	21.9
398.13687	1.9
415.14569	23.8
416.14883	2.4
417.15024	0.4
673.33240	0.4
691.34790	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87475	7.1
55.41032	6.3
56.97411	7.1
58.17188	6.8
59.01245	100.0
61.98693	51.3
69.37136	43.3
69.37547	19.6
71.01250	83.6
72.99188	11.0
73.02814	14.8
78.95779	43.9
83.04903	15.2
84.99595	6.9
85.02805	16.2
87.00751	16.2
89.02308	30.1
96.95894	30.0
97.02833	17.3
98.17576	7.5
99.00780	12.4
101.02304	39.8
109.06490	39.4
111.00842	7.0
113.02313	28.0
119.03391	12.3
121.06430	9.3
125.02341	13.4
125.09636	19.4
135.07976	11.3
152.99483	27.7
160.01569	9.7
161.04427	12.2
161.80492	8.0
163.11203	18.8
164.14978	7.3
171.10161	69.1
172.10606	7.4
183.13803	13.7
185.11749	18.4
191.05544	12.7
197.11847	11.5
199.09656	10.3
201.11223	17.8
207.10188	72.4
209.11729	79.2
210.12126	22.0
211.13382	84.0
212.13635	25.6
213.14221	8.9
225.11305	32.2
227.12819	14.7
235.08179	16.1
247.13359	19.5
253.09247	20.5
271.29794	7.9
285.04007	11.1
291.19647	14.4
292.19775	8.7
293.21158	30.1
363.11694	8.2
373.23773	24.2
383.22339	13.3
391.24783	17.3
397.13641	19.1
397.69846	7.4
401.23346	39.6
402.23361	8.4
415.14493	16.0
419.24271	23.7
461.20126	10.4
619.31134	53.3
620.31396	10.4
621.32825	10.9
637.32281	23.4
638.33337	16.8
673.33075	12.0
691.34229	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56921	4.3
57.03320	6.4
59.01249	76.6
61.98701	21.4
69.03333	4.7
69.64452	30.9
71.01254	100.0
72.99197	6.4
73.02815	12.0
75.00744	8.6
77.07513	4.1
78.95788	10.7
81.03328	11.1
83.04900	11.5
85.02826	23.2
86.81129	4.3
87.00759	8.4
89.02307	18.7
93.03316	8.0
95.01273	7.9
95.04931	5.0
96.95889	25.6
97.02824	7.6
99.00731	12.6
101.02312	33.4
109.02842	6.6
109.06477	10.5
112.33753	4.1
113.02364	28.7
119.03385	4.8
119.04869	6.9
121.02876	5.6
125.02348	8.2
125.09566	9.0
134.03598	14.0
135.04414	7.1
137.02332	19.1
143.03401	6.0
149.02342	10.7
149.05972	4.9
152.01038	5.7
153.01816	11.1
160.01567	7.2
161.04504	11.7
163.11197	9.3
165.05545	6.6
169.12212	6.0
171.10172	60.7
173.04427	6.0
175.03954	5.1
183.13828	17.4
185.11728	23.6
190.02710	7.5
191.05554	14.6
193.04927	9.7
197.11725	10.6
199.09689	8.6
199.13286	23.0
201.11279	18.7
205.05038	9.5
207.10202	40.5
209.11783	75.8
210.12051	7.4
211.13347	93.5
212.13655	6.5
213.11287	7.7
215.12895	5.0
223.06136	7.2
223.08052	11.6
225.11217	37.6
227.12892	22.8
229.14392	18.3
235.08218	13.1
243.12183	5.1
247.13440	6.0
253.09293	27.8
267.07071	11.1
283.02527	4.7
285.03934	5.8
291.07257	13.1
373.23932	5.4
383.22067	9.7
401.23236	22.1
419.24060	6.6
461.20663	11.1
600.24359	5.3
609.32745	9.3
619.30981	15.2
637.32257	85.2
638.32458	14.1
655.33478	32.4
659.32782	15.0
673.34149	11.1
691.35797	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54630	0.2
54.89447	0.2
56.93038	0.2
56.93922	0.2
57.03315	0.3
59.01249	2.4
61.05071	0.2
61.98675	0.2
64.36237	0.2
65.00187	0.2
69.03317	0.3
69.71407	0.6
69.71841	0.6
71.01252	2.1
72.99166	0.3
73.02816	0.4
75.00733	0.3
75.71147	0.2
78.95777	0.9
79.95606	2.8
80.75209	0.2
80.76153	0.2
83.01260	0.5
83.04869	0.5
85.02812	1.1
86.58328	0.2
87.00738	0.6
89.02328	0.9
93.03321	0.6
96.95883	100.0
97.02779	0.3
98.95472	0.2
99.00771	0.5
101.02320	0.8
108.02050	0.4
109.02853	0.5
109.06473	0.2
111.00742	0.2
111.04393	0.3
113.02345	0.8
119.03342	0.2
119.04896	0.4
121.02779	0.3
123.00751	0.3
124.01566	0.4
125.02353	1.2
126.02622	0.2
127.11156	0.3
133.02834	0.4
134.03647	0.7
135.00734	0.3
135.04379	0.6
136.01523	0.3
137.02315	0.7
145.02765	0.3
149.02319	0.5
149.99442	0.3
150.03073	0.4
151.00267	0.9
151.03897	0.4
152.01064	0.5
152.12242	0.2
153.01836	0.8
154.01312	0.4
160.01624	0.3
161.02306	0.4
161.04453	0.2
163.03859	0.5
163.11171	0.2
164.04698	0.4
165.01828	0.2
165.05484	0.3
167.03305	0.2
167.36063	0.2
168.00533	0.7
169.01170	0.2
171.10156	0.3
173.04471	0.5
175.00244	0.3
175.03940	0.5
178.02544	0.2
179.03406	0.3
179.10649	0.2
185.11790	0.2
190.02634	0.7
191.05501	0.8
193.04977	0.7
195.06558	0.3
201.11198	0.9
205.04990	0.7
209.04565	0.2
209.11749	3.2
210.12161	0.5
211.13318	0.4
211.43732	0.2
211.82500	0.2
215.39655	0.2
223.06084	0.5
225.11182	0.2
227.12807	0.7
229.14386	2.5
253.09392	0.4
255.02931	0.4
283.02554	0.4
284.03271	0.4
285.04111	1.1
301.03439	0.3
331.06729	0.3
337.09387	0.2
365.10071	0.3
461.42215	0.2
593.25940	0.4
648.00812	0.2
655.16498	0.4
655.39258	0.3
659.23651	0.5
690.33539	0.4
691.21021	1.1
691.34521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42782	0.2
54.21089	0.2
57.03316	0.1
59.01246	1.6
61.98693	0.2
67.01765	0.2
68.27152	0.1
69.03325	0.2
71.01248	1.3
71.57847	0.3
72.99188	0.3
73.02821	0.3
75.00741	0.2
78.95773	0.8
79.95599	3.0
83.01244	0.3
83.04880	0.2
85.02828	0.7
87.00755	0.3
89.02299	0.5
93.03329	0.7
96.95885	100.0
97.02850	0.2
97.95807	0.3
101.02324	0.7
108.02028	0.4
109.02847	1.3
111.04392	0.3
113.02342	0.7
119.04893	0.4
121.02823	0.3
123.00817	0.2
123.04425	0.4
125.02319	0.7
127.03920	0.2
132.02132	0.2
134.03616	0.6
135.00781	0.4
135.02948	0.2
135.04382	0.5
136.01506	0.2
137.02344	0.6
139.03891	0.2
141.04100	0.2
145.02856	0.3
149.02325	0.8
149.05963	0.3
150.03130	0.4
151.00287	0.6
151.07581	0.2
152.01036	0.4
153.01825	1.9
154.02199	0.4
155.02269	0.2
160.01593	0.4
161.02359	0.3
161.04604	0.2
161.05939	0.2
163.00366	0.2
163.03854	0.4
164.04709	0.6
165.01851	0.2
165.05502	0.5
167.03383	0.6
173.04478	0.8
175.00395	0.3
175.03920	0.5
177.05457	0.2
178.99773	0.2
179.03432	0.5
185.00751	0.2
187.03806	0.3
190.02623	0.6
191.03380	0.1
191.05539	0.6
193.04973	0.6
197.66638	0.1
201.11290	0.3
205.04985	0.6
209.11786	1.6
215.07086	0.3
223.06056	0.7
227.13022	0.2
249.06236	0.2
253.09212	0.3
255.06436	0.2
269.04630	0.2
281.04474	0.5
285.04019	0.6
286.04526	0.2
287.09048	0.2
333.59363	0.2
341.06683	0.5
349.09097	0.2
372.88602	0.2
497.11038	0.3
515.12457	0.4
593.26031	0.6
647.40106	0.2
659.23804	0.3
673.22839	0.3
691.24847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.8
67.01746	1.6
71.01258	2.8
73.02797	0.7
77.23666	0.6
81.03323	1.1
83.04917	0.8
85.02827	10.3
87.00745	4.0
90.71258	0.6
93.02747	1.1
93.03332	14.7
96.95798	0.6
98.20537	1.6
99.04371	0.7
108.02039	1.8
109.02837	5.6
111.04420	3.7
115.00240	2.0
119.04918	2.4
127.03889	2.8
129.59068	0.6
135.04417	9.5
136.04828	0.5
137.02354	0.9
155.03363	1.5
161.02374	0.5
163.03864	1.9
171.02962	1.0
173.04459	11.4
174.04771	0.6
179.03441	4.6
191.05527	100.0
192.05908	3.5
226.06322	2.3
227.07065	7.6
228.07404	0.7
253.08563	0.8
255.10231	15.3
256.10593	1.4
281.08142	1.7
307.06158	0.7
325.07251	0.8
343.08212	5.0
353.08774	2.2
374.39041	0.6
437.42563	0.6
499.12512	1.1
517.13440	2.9
518.13306	0.8
691.18652	14.3
692.19006	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.4
67.01760	1.7
68.58173	0.6
69.67560	4.0
71.01252	4.9
81.03333	0.9
81.96286	0.6
83.04910	1.0
85.02819	11.7
87.00745	5.0
93.03329	17.5
93.33605	0.6
94.03669	0.7
96.95887	2.6
99.00739	0.7
108.02037	6.5
109.02837	15.0
111.04408	3.6
115.00264	6.5
119.04916	1.9
121.02867	0.7
122.03600	3.6
123.04410	1.2
125.02352	0.7
127.03895	2.4
129.01857	0.9
135.04440	5.5
137.02310	2.4
145.06471	1.3
147.04305	0.6
149.06108	0.7
155.03429	2.0
161.02310	1.2
161.06041	0.6
163.03929	1.7
173.04468	21.0
179.03391	3.4
191.05534	100.0
192.05887	2.8
225.05487	1.4
226.06305	9.2
227.07056	10.3
233.20819	0.6
237.09242	0.7
239.07091	0.9
253.08652	2.5
255.10234	58.7
256.10562	3.7
281.08200	3.1
289.05685	1.9
299.09384	0.9
307.06198	0.8
325.06900	1.0
337.09323	1.2
343.08197	38.8
344.08527	2.6
353.08792	2.3
376.73093	0.6
463.10776	2.1
473.14523	0.8
499.12488	2.0
517.13489	23.1
518.13574	2.5
691.18732	27.1
692.18793	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75776	0.7
52.45180	0.6
55.44528	0.6
59.01248	1.5
61.78954	0.8
67.01756	2.3
67.04292	0.6
71.01263	4.5
71.57214	1.3
77.31748	0.6
85.02821	9.7
87.00745	3.8
93.03331	12.9
96.95860	3.7
108.02061	4.1
109.02830	10.3
111.04396	4.4
115.00251	3.5
115.03932	0.8
119.04864	4.3
121.02813	0.9
122.03632	1.7
123.04465	1.0
127.03865	1.8
131.05019	0.7
132.05682	0.8
133.02887	1.9
135.04395	10.4
137.02313	1.9
145.06496	1.3
155.03378	1.7
161.02333	1.7
161.06003	0.8
163.03891	2.7
173.04454	13.0
177.01767	0.7
179.03397	5.3
180.08289	0.8
191.05530	100.0
192.05899	3.3
224.38116	0.8
225.05481	1.3
226.06302	5.9
227.07043	8.4
253.08745	2.0
255.10239	36.2
256.10651	2.6
279.06476	0.9
281.08041	1.1
299.09338	0.8
307.06003	1.0
337.09280	1.3
343.08185	20.1
344.08514	1.2
353.08847	4.0
353.12595	0.7
463.10999	1.7
499.12546	1.6
517.13593	12.0
691.18707	21.5
691.30859	1.1
692.19110	2.8
715.96460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
59.01241	1.5
60.99176	1.4
67.01757	2.6
69.03330	0.7
70.57664	1.1
71.01246	4.1
77.23918	0.5
81.03333	1.5
83.04894	1.4
85.02817	12.2
87.00754	6.0
93.03332	22.8
94.03643	0.6
96.95878	1.8
98.19813	0.6
99.00755	0.6
108.02049	3.1
109.02834	8.0
111.04380	4.3
115.00259	4.1
119.04910	1.4
121.02825	0.8
122.03614	1.9
127.03912	3.6
129.01830	1.1
130.02161	0.4
134.03610	0.6
135.04391	4.7
137.02362	1.1
145.06479	0.7
155.03316	2.1
161.02448	0.7
163.03908	1.1
171.02896	0.9
171.04297	0.7
173.04463	14.3
179.03429	2.4
191.05530	100.0
192.05922	3.3
197.05910	0.7
212.91057	0.5
215.03400	0.5
225.05536	1.5
226.06335	5.5
227.07076	7.7
251.06966	0.4
253.08633	1.4
255.10240	26.2
255.94986	0.5
256.10504	2.1
266.05771	0.7
274.81735	0.5
279.06644	0.5
281.08179	1.9
289.05679	1.8
307.06042	1.3
325.07001	1.3
337.09000	0.7
343.08206	8.0
344.08716	0.6
353.08810	1.1
443.74155	0.5
463.11002	1.9
499.12891	1.3
517.13452	18.9
518.13898	2.3
658.56873	0.5
691.18744	32.0
692.19318	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	691.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.5
59.01244	2.4
66.49828	0.5
67.01749	2.0
69.82065	2.8
71.01244	3.1
77.47361	0.6
81.03323	1.9
85.02820	13.3
87.00732	3.9
93.03330	16.9
99.00819	0.6
99.04372	0.7
108.02048	3.3
109.02827	6.7
111.04380	3.8
115.00264	2.9
119.04889	3.3
127.03918	3.0
134.03558	0.7
134.57491	0.6
135.04395	10.1
137.02336	0.9
155.03400	1.6
161.02359	0.8
163.03893	3.4
173.04454	11.7
179.03365	6.4
191.05524	100.0
192.05963	3.1
225.05397	0.8
226.06277	3.6
227.07068	7.1
228.07234	0.9
239.07144	0.8
253.08594	0.8
255.10243	17.2
256.10486	1.3
281.08185	1.0
289.05701	1.0
343.08154	6.4
353.08710	3.2
409.12317	0.6
499.12219	0.9
517.13361	6.5
518.13977	1.1
525.11743	0.6
569.66864	0.6
691.18646	13.2
692.19159	1.9
693.47003	0.7
720.94855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01252	1.8
60.99171	1.0
67.01756	1.5
71.01252	3.4
80.08939	0.5
85.02818	11.7
87.00736	4.8
93.03323	17.6
94.03655	1.2
96.95861	1.0
108.02030	3.2
109.02835	8.3
111.00751	0.7
111.04392	3.4
115.00244	3.5
119.04922	1.3
122.03596	2.1
124.38920	0.6
127.03907	2.8
135.04399	4.1
137.02341	1.3
142.40341	0.7
145.06461	0.6
155.03447	1.3
163.03891	1.7
171.02927	0.8
173.04468	13.5
179.03398	2.8
189.33498	0.7
191.05525	100.0
192.05806	4.0
204.37883	0.6
207.92245	0.6
214.71030	0.6
223.04684	1.0
225.05505	1.5
226.06329	5.4
227.07051	8.5
227.25598	0.6
227.69890	0.6
253.08669	1.4
255.10248	24.5
256.10663	1.0
270.53351	0.7
279.06427	0.8
281.08099	0.9
283.94742	0.6
289.05679	2.3
307.06064	0.9
343.08163	13.9
344.08627	1.2
353.08737	2.3
463.10831	2.3
483.28940	0.7
499.12463	2.0
504.20724	0.6
517.13422	16.9
517.20844	1.2
518.13794	2.0
691.18707	30.1
692.19006	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	691.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
60.98282	0.2
69.68167	0.2
71.01240	0.4
71.58627	0.2
73.98694	0.1
75.20142	0.1
79.95605	2.4
85.02818	0.4
89.02325	0.2
93.03316	0.2
96.95886	100.0
97.95842	0.2
101.02336	0.3
107.01191	0.2
113.02364	0.2
119.04913	0.2
125.02341	0.4
135.04373	0.4
137.02365	0.2
151.00249	0.4
152.00919	0.2
168.00557	0.2
173.04422	0.4
177.02026	0.2
179.03470	0.3
181.83234	0.2
191.05496	0.8
212.45801	0.2
267.04202	0.2
268.37695	0.2
284.03256	0.3
285.04092	1.7
286.04636	0.2
327.09500	0.2
576.04004	0.2
593.14807	1.4
594.15533	0.3
691.18286	0.4
717.82526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.4
60.98282	0.2
69.68167	0.2
71.01240	0.4
71.58627	0.2
73.98694	0.1
75.20142	0.1
79.95605	2.4
85.02818	0.4
89.02325	0.2
93.03316	0.2
96.95886	100.0
97.95842	0.2
101.02336	0.3
107.01191	0.2
113.02364	0.2
119.04913	0.2
125.02341	0.4
135.04373	0.4
137.02365	0.2
151.00249	0.4
152.00919	0.2
168.00557	0.2
173.04422	0.4
177.02026	0.2
179.03470	0.3
181.83234	0.2
191.05496	0.8
212.45801	0.2
267.04202	0.2
268.37695	0.2
284.03256	0.3
285.04092	1.7
286.04636	0.2
327.09500	0.2
576.04004	0.2
593.14807	1.4
594.15533	0.3
691.18286	0.4
717.82526	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05780	0.6
53.54593	0.6
57.03329	1.1
58.42442	0.7
59.01249	7.7
61.98717	2.9
65.03310	0.5
69.03352	1.1
71.01254	9.3
71.58028	1.0
72.99183	0.6
78.95765	3.4
79.15336	0.6
83.01264	1.3
83.04899	1.3
85.02837	2.3
87.00745	1.5
89.02302	3.9
90.36886	0.5
95.04926	0.9
96.95913	1.5
97.06458	1.1
99.00762	0.9
100.53331	0.6
101.02325	5.6
109.06541	0.7
111.08073	0.9
113.02320	3.0
119.03389	1.2
120.89329	0.6
125.09654	0.7
126.99066	0.6
127.68677	0.6
145.05005	1.2
152.99493	1.8
155.10649	1.1
158.46996	0.6
161.04457	2.0
163.11165	1.5
165.12743	8.9
167.14368	1.0
171.10162	6.5
179.05519	0.8
183.13829	87.1
184.14160	4.5
185.11662	0.7
193.12248	2.4
197.11714	2.0
199.09692	2.1
201.11223	2.5
207.10187	2.5
209.11765	13.8
210.12115	0.9
211.13332	100.0
212.13666	6.0
215.12807	20.4
216.13077	0.9
225.11273	3.6
227.12860	6.6
235.08170	3.8
253.09282	10.3
349.52600	0.6
445.20599	1.8
447.22073	2.0
463.21701	3.2
653.30780	0.7
657.34851	74.1
658.35150	12.0
671.32813	1.3
689.37653	8.9
690.36292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03329	1.9
57.03558	0.3
58.00448	1.4
59.01246	24.6
61.98695	1.4
68.99689	0.5
69.03307	1.2
71.01247	22.2
71.04884	0.7
72.99177	1.9
73.02810	3.7
78.95795	0.5
81.03322	1.2
83.01237	2.8
83.04896	1.6
85.02818	4.7
87.00737	4.4
89.02309	16.3
93.03314	0.8
95.01260	1.6
95.04887	0.9
96.89908	0.3
97.02834	3.3
97.06443	0.6
99.00745	1.5
101.02312	14.6
109.02866	0.8
109.03635	0.3
109.06462	1.0
111.04402	0.9
111.08034	10.3
113.02326	7.3
118.30560	0.3
119.03377	4.4
119.05020	0.4
121.10110	0.4
123.08054	0.4
124.01503	0.6
125.02342	6.1
125.09602	0.7
127.03815	0.3
127.11208	0.4
131.03386	0.7
133.04956	0.8
135.04433	0.5
135.11713	0.3
137.02304	0.8
137.09624	0.8
139.03874	0.5
141.01810	0.4
143.03409	2.8
149.09627	0.8
155.10619	0.6
161.04489	3.5
161.44836	0.4
163.11188	0.8
165.12753	0.3
167.03348	0.5
167.10677	2.5
169.12236	0.4
171.10187	2.5
171.68846	0.4
175.02332	0.6
177.12744	1.4
179.05513	3.6
179.10765	1.7
181.12189	0.6
183.13760	1.0
185.04465	0.4
185.11726	0.5
191.05486	0.4
195.13834	6.6
197.11787	1.5
199.13315	0.4
201.11240	1.2
207.10114	1.7
209.11755	9.1
210.12105	0.5
211.13324	3.4
217.07109	0.7
221.06613	1.2
221.11659	0.3
225.11330	1.8
227.12808	2.1
235.08191	6.2
245.06630	0.4
247.20657	2.6
253.09265	3.1
263.07703	0.4
263.20081	0.7
273.18619	1.6
281.24017	0.4
285.04102	0.3
287.07632	1.2
291.19629	100.0
292.19965	8.4
305.08954	1.9
309.20590	0.4
320.98752	0.4
323.09869	0.9
361.11346	0.5
379.12387	0.5
397.13464	42.3
398.13885	2.8
415.14532	23.7
416.14883	1.5
447.20706	0.4
461.20013	0.4
585.39978	0.4
611.36755	0.4
689.33484	4.6
690.33716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03120	0.9
55.01762	1.4
56.54884	1.1
57.03313	2.1
58.00495	1.1
59.01250	28.9
61.98700	2.3
69.03324	2.4
70.68807	3.2
71.01249	59.8
71.04895	3.5
71.16114	1.0
72.99175	1.8
73.02817	7.0
75.00735	1.4
81.03335	3.9
83.01270	3.1
83.04897	6.6
84.02026	1.6
85.02815	9.2
87.00739	6.9
89.02316	17.4
89.50752	1.3
93.03325	1.0
95.01265	1.4
95.04907	2.0
96.95895	4.8
97.02812	6.7
97.06447	3.3
98.98948	1.0
99.00752	16.5
101.02322	19.4
106.66112	1.1
109.02836	2.5
109.06467	6.9
110.03573	1.3
111.00778	1.3
111.04398	2.1
113.02330	12.1
119.03424	4.9
119.04901	1.1
123.04401	1.0
123.08036	2.6
125.02354	6.7
125.09616	7.9
127.11169	2.9
133.04955	1.4
134.03627	3.8
135.08055	2.7
135.11882	0.9
137.02313	1.4
143.03404	3.8
145.05020	2.1
148.08815	1.1
153.01852	1.1
155.10709	2.1
160.01660	1.8
161.02350	1.7
161.04472	4.8
161.09607	1.4
162.29222	1.2
163.11215	16.2
165.12759	23.0
166.13165	1.1
169.12160	1.2
171.10175	37.9
172.10483	1.7
175.03923	1.5
179.05540	3.4
179.10640	1.0
181.12228	13.0
183.10291	1.2
183.13820	42.2
184.14343	1.4
185.11734	2.6
189.09143	1.3
190.02554	1.2
191.05530	1.8
191.10774	1.3
193.04996	5.0
197.11743	4.0
199.13345	8.4
201.11243	18.0
204.13911	1.1
207.10208	35.7
208.10619	2.0
209.11766	100.0
210.12167	5.3
211.13341	4.2
215.12856	2.6
225.11267	51.2
226.11601	1.8
227.12816	18.0
233.11673	1.1
235.08162	8.0
235.13300	1.3
243.12289	15.2
247.20715	6.5
251.12698	1.2
253.09258	14.5
267.07080	2.0
273.18625	4.6
285.04028	1.7
291.19644	74.5
292.20096	4.8
305.08923	1.2
310.47540	1.0
381.21368	1.4
397.13510	26.6
398.13879	1.9
415.14545	14.8
461.20126	6.4
462.20602	1.3
463.21710	3.1
479.21262	3.1
645.34778	4.7
653.31958	3.1
671.32831	6.6
689.33893	80.3
690.34668	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	689.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61480	1.2
59.01241	5.8
69.03305	4.9
71.01240	4.4
73.02811	1.7
78.95753	1.2
79.01744	1.1
79.95601	1.4
80.96376	7.8
83.01237	1.7
85.02818	6.4
87.00739	2.3
93.03318	4.1
94.97934	1.6
95.01236	2.3
96.95887	5.8
97.02828	2.8
98.20611	3.8
99.00755	1.5
107.01245	1.2
108.02050	84.6
109.02851	21.9
113.02325	2.5
115.00253	1.3
119.04896	3.2
121.02835	5.6
122.03629	3.3
123.00787	3.1
123.04392	4.2
125.02332	7.1
133.02820	2.3
134.03590	2.1
135.04381	4.6
136.05168	4.2
137.02365	7.1
145.02821	1.5
149.02316	7.6
150.03142	22.0
151.00253	3.5
151.03914	7.9
152.01057	100.0
153.01857	15.3
161.02388	2.2
163.03899	2.4
164.04671	2.4
165.01834	5.1
165.05481	12.7
166.02681	1.5
166.05858	1.1
167.03360	2.9
168.00497	3.2
173.04549	1.4
175.02365	3.2
175.03842	2.2
177.01834	2.5
179.03415	2.3
180.04240	2.1
181.01321	3.3
181.04988	3.2
185.00812	1.2
191.05542	3.1
193.04927	1.5
195.06555	10.7
224.51843	1.2
225.00644	2.1
230.42482	1.5
283.09616	2.0
285.04071	2.1
297.06052	5.7
301.03687	1.3
311.09155	3.6
312.02121	1.4
315.07098	5.4
329.10251	2.4
343.11963	8.1
383.06015	1.4
391.14594	1.3
394.12631	1.3
459.86795	1.2
492.12613	9.3
527.18512	1.5
562.59485	1.4
622.60303	1.4
657.15887	2.5
671.19739	5.3
689.20953	92.4
690.21283	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	689.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86815	0.9
59.01249	7.1
69.03309	3.2
69.97868	3.7
71.01236	6.4
71.23345	0.9
72.99137	1.2
73.02808	1.9
75.00750	1.3
75.06632	0.9
78.95799	1.0
80.43174	1.0
81.03320	2.5
81.47305	1.0
83.01225	1.7
85.02806	5.4
87.00737	1.9
89.02309	1.6
93.03309	4.3
95.01246	2.5
96.95892	9.1
97.02827	1.9
99.00765	1.4
101.02287	2.7
107.04903	1.0
108.02045	81.3
109.02847	36.9
111.00772	1.3
111.04388	1.2
113.02316	3.0
115.59790	0.9
119.04870	3.1
120.01153	1.5
121.02832	6.3
122.03599	4.6
123.00755	2.3
123.04384	5.6
124.01484	1.6
125.02336	5.8
133.02818	2.9
134.03604	3.2
135.00769	1.2
135.04416	8.1
136.01549	2.5
136.05144	3.3
137.02347	7.0
141.01707	2.3
141.04037	3.0
149.02339	8.5
149.05940	1.5
150.03123	25.0
151.00273	1.9
151.03929	11.1
152.01045	100.0
153.01846	26.8
154.02180	1.5
160.01540	1.6
161.02328	3.8
161.05962	1.9
163.03911	4.2
164.04654	3.6
165.01817	3.8
165.05476	15.3
166.02585	1.4
167.03363	2.0
168.00522	1.0
173.87685	1.1
175.00237	0.9
175.02374	1.9
175.03828	1.3
179.03363	2.7
179.06996	1.0
180.04164	2.2
181.01347	2.2
181.04927	3.2
190.02592	3.2
191.05504	3.8
193.04922	2.0
195.06540	11.0
205.05049	2.8
206.05301	1.7
223.06018	2.0
231.06554	1.2
241.04924	1.7
259.07224	1.3
260.86765	1.2
269.04605	1.3
271.09750	2.4
285.03900	1.6
297.05997	4.2
303.09195	1.1
311.09177	2.1
315.07184	3.7
315.11298	1.0
329.09998	2.2
343.11777	4.8
367.10281	1.8
368.10663	1.4
369.10983	1.7
419.52667	1.1
424.13779	1.1
491.11865	1.5
492.12671	10.2
493.13483	1.5
592.14044	2.0
620.17401	1.2
641.18500	2.5
671.19879	3.5
689.20758	97.5
690.21008	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	689.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08916	0.7
58.44602	0.7
59.01235	2.0
63.02258	0.9
65.00210	1.5
69.03310	1.0
71.01243	2.1
77.17584	0.8
83.01257	1.0
85.02835	0.8
87.00750	16.6
93.03339	2.0
93.20992	0.8
95.01225	0.8
96.95880	6.1
98.20164	6.5
107.01269	4.5
108.02077	2.0
109.02830	3.5
113.02293	1.2
121.02837	3.6
123.00815	1.1
125.02302	2.5
134.03610	1.2
135.04352	1.0
137.02321	1.5
142.89485	0.8
149.02322	2.0
150.03214	1.3
151.00276	17.0
151.03825	1.0
152.01100	4.1
153.01738	2.0
161.02275	1.4
163.00269	3.3
169.01318	1.8
173.04492	1.8
178.99791	7.3
183.04344	0.8
190.02701	1.0
191.05469	2.3
193.04828	0.9
211.03865	1.5
215.03409	0.9
226.02698	1.8
226.78500	0.8
227.03465	2.3
229.04980	1.6
243.02959	8.9
245.04607	1.6
254.02255	1.9
255.02957	27.3
256.03369	1.8
271.02460	47.4
272.02875	5.4
273.04041	1.6
283.02518	1.7
297.94943	0.8
299.01956	2.4
300.02719	100.0
301.03455	51.2
302.03815	3.2
304.17075	1.0
329.94946	0.9
343.04559	1.0
445.07675	1.2
463.08801	46.5
464.09149	4.3
537.13892	1.2
583.10809	15.6
584.11261	2.5
601.11920	31.6
602.12183	4.8
635.23535	1.0
645.14594	6.1
646.14990	1.1
689.12360	8.8
690.13049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52649	1.3
57.03307	4.3
59.01249	15.7
61.98688	2.2
69.03320	2.0
71.00883	1.7
71.01251	18.6
72.99177	5.8
73.02800	1.4
75.00740	11.1
78.95760	2.4
81.03281	1.2
83.01231	1.8
83.04888	3.9
85.02816	12.3
87.00760	6.8
89.02324	3.2
93.03339	0.9
95.01249	4.2
95.04886	1.5
96.95867	2.0
97.02854	1.1
97.06464	1.3
98.19728	2.0
99.00740	8.9
99.04398	1.1
101.02317	2.9
107.04911	1.1
109.02818	1.3
109.06499	1.7
111.08020	3.1
113.02335	15.0
115.00228	2.2
117.01820	1.8
127.03909	2.4
129.01814	1.2
135.08040	1.2
138.77393	1.3
139.07466	1.2
141.11336	1.0
152.16075	1.0
152.99529	1.6
160.58461	0.9
161.04382	1.2
163.11142	1.4
165.05429	1.0
165.12749	20.2
166.13144	1.2
169.12262	1.2
171.10156	8.1
175.02368	4.3
183.13814	97.7
184.14149	5.5
197.11761	2.3
203.16779	1.0
205.05023	1.1
205.08627	1.3
207.10156	4.4
209.11742	15.1
211.13353	9.3
212.13602	1.3
219.40782	1.1
223.09669	4.2
225.11240	6.8
227.12859	9.3
249.06061	2.4
253.09126	2.8
260.75504	1.1
267.07245	2.7
300.02689	2.8
301.16504	1.8
415.19690	3.1
459.18536	1.2
461.20129	1.3
477.19650	11.7
511.29111	5.3
625.32257	4.9
655.33783	1.5
669.30951	3.7
687.32184	100.0
688.32605	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	687.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91763	0.6
57.03330	2.0
58.23931	0.6
59.01248	8.4
61.98703	1.4
68.58266	0.7
69.03324	4.3
71.01257	8.1
71.58537	0.9
72.99170	0.6
73.02832	2.1
75.00759	0.8
75.27646	0.6
81.03323	1.0
83.01288	1.1
83.04886	0.6
85.02824	6.8
87.00767	1.3
89.02322	2.2
93.03322	3.8
95.01263	2.4
96.31725	0.6
96.95886	4.3
97.02835	2.4
99.00774	2.0
101.02315	3.6
107.01270	1.2
107.04911	0.8
108.02048	65.0
109.02853	18.3
110.03173	0.9
111.00735	1.1
111.04415	0.9
111.08068	1.8
113.02328	4.6
119.04933	0.9
121.02847	5.5
122.03634	1.0
123.00772	3.9
123.04385	3.0
124.01560	2.7
125.02328	11.3
126.02693	1.0
129.01807	0.9
133.02864	1.7
134.03633	2.5
135.00807	2.2
135.04407	3.2
137.02347	5.2
139.03932	1.0
141.04050	0.7
141.27107	0.6
145.02901	1.0
147.04434	0.7
149.02333	10.4
149.03409	1.0
149.99506	3.5
150.03085	2.0
151.00250	2.6
151.03871	3.7
151.07512	0.6
152.01051	100.0
153.01852	18.6
160.01552	1.1
161.02385	1.3
161.04463	2.1
163.03911	3.7
164.04692	4.1
165.01839	2.8
165.05472	1.0
165.12756	10.1
166.02650	1.5
167.03400	5.9
168.00546	6.1
169.01283	1.8
174.01608	0.8
175.02455	1.0
175.03899	1.8
177.01738	1.6
178.02492	0.7
179.03488	1.6
179.07082	0.7
181.04993	1.3
183.13820	13.5
190.02647	1.9
191.03696	0.8
191.05573	1.6
193.04965	2.6
195.03004	3.9
205.04959	2.1
209.11743	1.7
223.06104	6.6
227.12781	3.4
271.02325	1.0
285.03964	2.7
286.04166	1.0
297.06119	4.5
300.02557	0.9
301.03448	1.2
315.07193	16.5
316.07501	1.6
317.06647	1.6
318.06888	1.8
319.07318	1.7
343.11856	0.8
357.08185	3.4
373.26114	1.1
389.24854	0.7
481.10269	0.9
507.18533	5.6
518.40094	0.8
525.19745	88.3
526.12585	1.0
526.20099	11.4
566.68597	0.8
567.20721	6.9
568.21448	0.9
627.22693	2.5
684.98090	0.7
687.24207	32.8
688.25226	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16223	0.4
51.93860	0.4
59.01245	1.6
62.45654	0.5
69.03320	2.9
71.01254	3.5
71.59144	0.7
75.00767	0.7
81.03313	1.0
85.02800	2.5
87.00742	0.6
89.02313	1.0
93.03339	2.5
95.01288	0.9
96.95895	1.8
97.02832	1.9
99.00742	0.7
101.02312	0.9
107.04919	1.0
108.02048	57.8
109.02888	7.8
113.02341	1.5
115.00244	0.6
117.03336	0.8
119.04929	2.1
121.02850	3.1
122.03640	3.1
123.00755	1.0
123.04438	3.7
125.02318	4.2
132.02055	2.8
133.02864	4.1
134.03619	13.6
135.04410	6.6
137.02333	3.4
145.02856	0.7
147.04419	0.7
149.02336	6.3
149.05980	2.2
150.03134	18.1
151.00261	1.8
151.03922	11.4
152.01053	100.0
153.01845	10.3
160.01563	13.9
161.02359	7.8
162.02676	0.5
163.03882	2.9
164.04712	2.2
165.01860	0.8
165.05478	13.9
166.02618	2.3
166.05827	0.5
168.00496	0.8
173.04503	0.7
175.03923	21.3
175.05460	1.0
176.04288	1.0
177.01884	2.2
177.05478	0.9
178.02582	2.4
179.03407	2.0
179.06941	0.7
180.04155	1.5
181.04939	5.2
189.77814	0.5
190.02626	2.7
191.05490	1.5
193.04980	10.7
195.06529	1.9
205.05006	3.9
213.05473	0.8
223.06062	1.1
241.04964	1.2
250.06503	0.5
251.07152	0.6
256.07364	1.6
271.02634	0.5
271.09634	1.1
282.08960	1.4
297.06125	6.1
315.07166	1.5
322.06888	0.9
323.07791	1.0
327.08615	0.6
337.09326	3.7
341.10150	0.8
357.08676	0.6
367.10397	3.7
490.11203	5.8
491.11841	7.5
492.12256	1.1
505.13382	5.2
639.16803	0.8
687.19202	83.4
688.19489	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	687.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43025	12.6
70.93686	1.6
78.95783	3.0
79.00097	1.8
95.47748	1.7
127.37723	1.6
189.24091	1.7
209.11871	2.2
255.23302	1.7
273.44598	1.9
290.47968	1.7
296.03107	1.8
431.13635	2.1
438.13000	6.1
452.14807	1.9
481.15118	46.3
482.15411	11.7
495.16592	11.6
496.16779	3.2
497.17926	3.1
514.14984	3.1
522.14594	2.2
539.15594	4.5
540.16614	14.6
541.16974	3.9
554.18738	3.3
555.18829	87.3
556.19049	13.8
572.15643	19.4
573.15350	4.5
586.17145	3.7
587.17139	2.8
641.22540	40.7
642.22675	7.9
643.24011	6.7
687.23029	100.0
688.23462	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80443	0.5
57.03324	0.7
59.01246	2.6
60.19282	0.6
69.03329	5.5
71.01248	3.0
71.58535	0.8
71.58898	0.7
81.03310	0.9
85.02821	2.5
87.00772	0.7
89.02322	1.2
92.25624	0.6
93.03336	4.8
95.01268	1.3
96.95911	1.8
97.02836	2.5
99.00768	0.9
101.02317	1.2
105.03278	0.7
107.01257	1.5
107.04919	0.9
108.02050	68.2
109.02869	13.4
110.03218	1.0
111.04462	0.9
113.02313	1.5
117.03367	1.8
119.03564	0.6
119.04919	11.5
121.02838	4.5
122.03658	3.1
123.00773	2.0
123.04417	2.6
124.06519	0.6
125.02316	5.5
129.01830	0.8
132.02074	3.2
133.02855	3.3
134.03635	18.3
135.00787	1.5
135.04433	4.5
137.02379	3.8
139.03951	0.9
145.02896	3.2
147.04434	1.4
149.02345	7.7
149.05983	4.3
150.03143	19.0
151.00269	3.1
151.03926	7.4
152.01054	100.0
153.01849	19.8
155.03406	1.6
160.01572	14.2
161.02388	5.1
163.03905	11.2
164.04617	1.5
165.01785	1.4
165.04115	1.0
165.05487	11.6
166.02608	1.8
173.04510	0.8
175.00333	1.2
175.03912	12.8
177.01817	2.1
177.05525	0.9
178.02599	4.6
179.03339	1.8
181.04973	1.9
185.00890	0.6
190.02670	2.8
191.03331	0.8
191.05505	1.5
193.04993	11.4
195.06512	1.4
205.05011	1.7
214.23148	0.6
223.06017	1.5
241.05077	0.7
257.04492	1.0
267.07562	0.7
282.08804	1.5
285.04388	0.8
297.06140	8.0
309.08960	0.6
315.07343	1.0
319.08240	4.1
323.07617	0.8
327.08652	1.4
337.09256	1.5
341.10052	1.3
367.10474	2.0
370.26163	0.7
389.12375	0.8
393.82990	0.6
447.12830	1.0
490.11157	9.4
491.11984	7.4
505.13391	1.8
531.14758	2.6
545.12689	1.7
552.53400	0.7
639.17175	1.9
655.17371	1.0
669.18188	5.3
670.18549	1.8
687.19226	64.7
688.19507	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	685.2878
Annotation	CHEBI:68367
Peak:m/z	Relative Intensity
51.83571	1.6
55.05682	1.4
57.56559	1.8
59.01236	1.7
60.97733	1.5
61.98697	1.9
65.99711	4.0
70.63902	1.4
78.95784	3.3
82.02852	24.9
82.87743	1.5
83.01223	1.9
136.03961	9.6
164.03418	13.0
171.10150	5.2
177.58437	2.0
194.04419	3.9
194.08127	3.0
195.42209	1.6
196.06052	5.2
215.08170	2.3
223.12415	3.5
225.13800	2.1
241.05981	2.1
243.07790	2.1
249.71364	1.7
255.07648	7.9
255.23402	2.5
277.21631	4.6
296.68906	1.7
325.15668	2.1
479.20807	4.9
487.10269	1.9
551.19189	10.3
552.19122	2.0
566.21948	3.1
581.27533	5.0
583.22394	2.7
621.23431	3.9
638.25269	2.1
653.26178	24.6
654.26666	3.5
685.28741	100.0
686.29065	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	685.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.9
59.01247	40.9
61.98692	8.3
63.23839	2.9
70.73526	10.2
71.01239	27.2
73.02804	7.3
75.00733	4.3
83.04887	8.8
85.02832	13.0
87.00737	7.3
89.02318	13.5
93.03356	3.9
95.01258	3.8
95.04883	4.3
96.95885	5.1
97.02844	5.2
99.00749	21.3
101.02312	16.6
102.27487	3.6
109.06467	5.8
111.00767	4.8
113.02335	17.0
121.06452	3.9
123.04389	5.4
123.08025	3.7
125.02347	3.1
125.09618	13.8
127.03880	3.8
134.03593	5.8
137.02309	6.0
149.02351	4.0
161.04417	6.0
163.11169	12.1
165.12776	5.8
167.10643	3.2
171.10161	66.4
179.07079	4.6
181.12262	22.7
183.13797	5.7
195.13707	6.9
197.11838	5.9
199.13364	8.5
205.12296	5.3
207.10138	30.0
209.11761	35.3
211.13310	12.3
215.14320	6.6
220.07335	6.7
221.11806	18.2
223.06020	4.6
223.13284	27.7
225.11264	39.2
227.12863	4.0
233.15475	16.9
235.08131	7.1
239.12814	12.6
243.12317	19.5
249.14880	19.9
253.09238	13.3
255.23090	4.4
301.77017	3.3
332.10175	3.5
385.23849	12.6
392.73584	3.8
403.24829	25.5
404.25357	5.0
421.25989	9.9
459.22308	5.2
461.20175	7.8
479.21643	8.4
540.58264	3.8
621.32721	54.3
622.32819	11.7
639.33832	53.5
640.34094	10.5
667.32349	4.6
685.34460	100.0
686.34448	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	685.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04675	0.9
55.01728	1.0
57.03315	2.4
59.01249	19.4
61.98668	1.8
67.01749	1.1
69.03316	3.3
71.01252	18.9
71.58693	1.5
72.99158	1.7
73.02796	3.8
74.87177	1.1
75.00719	1.7
76.98457	1.0
81.03333	1.3
83.01219	2.9
85.02810	7.3
87.00734	3.4
88.98691	1.1
89.02307	6.6
93.03333	7.8
95.01254	17.0
96.95895	10.7
97.02817	7.0
99.00737	2.9
101.02325	7.6
108.02045	8.0
109.02872	7.6
111.00745	1.9
113.02323	6.9
115.00177	1.5
115.03852	1.1
119.03330	3.2
119.04862	3.2
119.41686	0.9
121.02826	4.1
122.03533	1.1
122.73997	1.1
123.00761	97.3
123.04375	3.9
124.01566	34.4
125.02338	52.7
129.01778	1.2
133.02832	1.2
134.03600	3.2
135.04366	4.4
136.01587	1.4
137.02339	13.4
139.00261	1.2
145.02811	2.9
147.04364	1.6
149.02319	4.7
149.99492	33.7
150.03105	2.3
151.00269	4.9
151.03853	3.5
152.01027	9.9
153.01839	7.5
160.01546	3.6
161.02301	4.4
161.04491	1.0
163.03882	4.8
163.06110	1.2
164.04666	1.7
165.01808	3.8
165.05444	4.2
166.99767	5.5
167.03398	23.6
168.00555	66.2
169.01382	6.0
173.04454	2.0
174.03044	1.6
175.00288	1.4
175.03844	5.0
177.01794	1.3
177.05537	1.1
178.02684	1.0
178.99796	1.6
179.03424	2.2
179.05574	1.2
181.04880	1.3
185.00804	1.2
190.02615	2.9
191.03479	4.9
191.05478	3.7
193.04950	2.2
195.02899	2.1
197.04398	1.5
205.04929	2.1
209.08150	1.1
223.06004	3.1
251.07224	2.2
267.06598	3.7
269.06641	7.7
279.06540	4.7
282.09094	1.6
285.04175	4.9
293.04700	1.2
294.05084	1.3
299.02084	1.1
299.05618	1.7
309.07663	2.2
313.05621	40.2
314.05710	2.1
315.07172	2.1
317.06512	3.9
331.06671	38.7
332.06946	1.6
337.09546	1.3
338.07687	3.4
341.10358	1.2
353.10278	3.3
357.08884	1.4
504.32605	1.2
522.33514	1.4
523.17444	1.2
523.34210	2.3
655.16522	1.9
684.39148	9.0
685.17560	100.0
685.40302	8.7
686.17554	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	683.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03327	4.9
59.00958	0.3
59.01249	6.6
61.17617	0.5
65.77959	0.3
66.54606	0.3
69.03327	0.7
70.60231	0.5
70.60574	1.3
71.01256	4.8
73.02813	0.6
80.02539	0.5
83.01254	0.6
83.04917	0.7
85.02817	0.8
87.91332	0.4
89.02304	4.3
93.72126	0.4
95.04912	1.3
97.06469	13.3
98.06809	0.5
98.95580	0.4
101.02313	3.1
104.76677	0.4
113.02334	2.8
119.03394	1.0
123.08054	7.0
125.09614	100.0
126.09943	3.7
137.66685	0.4
143.10681	1.5
145.72102	0.4
160.38606	0.4
161.04501	0.7
169.08638	2.1
179.05553	1.0
187.09683	74.8
188.10037	2.8
199.75903	0.5
211.09650	0.6
253.09280	1.5
261.13406	1.2
277.21716	14.3
278.22092	1.5
314.15338	0.4
405.17752	6.0
423.18729	18.6
424.18909	1.0
683.40057	79.0
684.40387	16.1
693.28088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74910	0.4
55.01762	0.7
56.76289	0.4
57.03326	4.9
58.86166	0.5
59.01251	4.8
64.65873	0.4
69.03319	1.0
71.01261	4.3
71.04880	0.6
71.13821	0.9
73.02803	1.5
80.02527	0.7
80.43161	0.4
83.01257	1.2
83.04890	1.3
85.02837	1.4
87.00748	2.1
89.01773	0.5
89.02295	2.3
95.04905	1.6
97.06467	17.2
101.02312	4.9
111.00852	0.5
113.02301	2.6
117.28033	0.5
119.03388	0.6
123.08046	11.1
125.09612	98.0
126.09959	3.6
143.10669	1.2
145.04964	1.6
160.19934	0.4
161.04446	1.8
169.08606	2.2
187.09680	42.9
188.10062	1.7
216.50340	0.5
235.08151	3.9
253.09247	3.7
261.13483	0.8
270.37622	0.5
277.21710	51.3
278.22025	4.3
405.17624	7.0
406.18103	0.7
423.18771	7.0
424.19073	0.7
513.43671	0.5
521.35278	0.5
538.69189	0.5
683.40082	100.0
684.40387	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	683.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.6
59.01250	54.3
70.80598	3.0
70.80939	2.1
71.01257	13.5
71.53416	1.5
72.99171	1.8
73.02807	4.0
78.95766	2.5
81.99281	1.5
83.01263	2.1
83.04887	2.9
85.02824	6.2
87.00761	4.6
89.02328	7.8
90.02045	1.3
95.01301	1.6
95.04964	1.8
101.02314	7.6
106.84359	1.5
112.08206	1.6
113.02324	5.8
115.64569	1.7
119.03388	1.9
125.02330	1.7
137.09633	1.9
145.04976	3.8
149.72139	1.5
161.04469	2.3
171.10204	16.9
172.10585	2.3
179.05479	2.4
193.75304	1.7
235.08249	7.6
237.15007	1.9
266.96082	1.9
277.21652	4.1
291.19690	2.8
293.21060	5.0
315.26892	2.1
325.25497	3.9
341.24933	3.0
343.26376	6.2
351.23282	1.9
358.78571	1.8
359.25851	5.5
367.24902	1.5
369.24246	9.4
387.25394	33.6
388.25717	3.4
405.26434	22.0
406.26810	2.7
479.30231	2.1
623.34363	100.0
624.34747	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	683.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94116	1.0
53.36337	1.0
55.01752	1.5
57.03323	2.4
58.06314	1.0
59.01249	59.9
66.77322	0.9
69.03316	0.9
71.01251	15.7
72.99172	1.3
73.02805	3.8
83.01241	2.6
83.04887	1.8
85.02815	3.3
85.99945	1.0
87.00749	6.8
89.02318	7.2
91.40336	0.9
95.01288	1.2
97.02811	2.0
98.19746	2.2
101.02324	11.3
109.06449	2.6
111.00845	1.2
111.08050	2.7
113.02335	7.7
119.03397	1.8
127.11143	1.2
135.08040	1.2
137.09682	2.1
145.04961	1.9
147.11696	1.1
153.09148	1.2
161.04468	2.7
165.90900	1.0
169.50253	1.0
171.10172	63.6
172.10524	2.3
195.13890	2.3
203.14238	1.6
213.14894	1.3
221.15314	1.1
223.13368	2.6
231.17612	1.8
235.08189	9.2
236.67149	1.0
237.14854	1.2
239.16566	2.0
241.17952	1.4
249.14789	1.3
253.09238	7.5
265.17996	1.5
275.16678	1.8
275.20032	3.2
293.21210	24.4
294.21500	2.5
315.26920	3.4
325.25275	5.1
341.24738	3.2
343.26468	6.0
351.23080	2.2
358.51764	1.2
359.25937	6.6
361.27084	1.2
369.24347	9.4
387.25403	39.0
388.25537	3.7
405.26395	25.8
406.26620	2.6
479.29788	1.9
503.21310	1.1
595.35254	2.5
605.33600	1.5
623.34290	100.0
624.34711	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	683.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14164	0.7
52.51630	0.5
54.52124	0.5
55.01744	0.6
57.03318	1.1
57.49226	0.6
58.00451	1.8
59.01251	42.4
61.68586	0.6
64.01770	0.6
69.39349	3.9
69.39755	1.0
71.01255	35.4
72.01590	0.5
72.99155	1.6
73.02798	0.9
75.00761	1.4
75.95167	0.6
83.01254	1.0
85.02825	4.4
87.00747	2.8
89.02315	43.5
95.01258	1.9
101.02325	18.0
102.34290	0.6
108.01994	0.5
111.04403	1.1
113.02332	13.4
119.03389	14.4
119.04838	0.8
123.78525	0.6
125.02381	0.8
131.03413	1.8
135.04419	2.2
143.03406	3.8
149.04482	1.1
161.04465	4.2
163.03851	0.6
178.78841	0.5
179.05525	21.6
180.05905	0.8
191.05527	0.7
223.04564	0.9
341.10898	100.0
342.11206	5.3
355.08801	0.8
373.23843	0.7
610.38916	0.8
683.17950	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.9
59.01239	6.0
60.63987	0.9
68.87449	0.9
69.03320	4.1
69.28674	8.5
71.01251	3.4
85.02828	4.1
89.02332	1.6
91.61761	0.8
93.03333	3.6
95.01247	1.4
96.95903	1.6
97.02849	2.6
99.00771	1.8
101.02323	1.7
108.02048	45.1
108.21520	0.8
109.02844	14.9
110.03166	1.0
111.04391	1.0
113.02359	2.7
119.04846	1.2
121.02801	4.6
123.00790	0.9
123.04431	0.9
125.02338	4.3
133.05042	1.3
134.03674	1.9
135.00781	1.8
135.04410	3.8
137.02332	2.7
147.04384	1.2
149.02333	21.8
149.49615	0.9
150.03062	1.6
151.00284	1.9
151.03891	1.8
152.01053	75.5
153.01840	24.8
161.02246	1.3
163.03906	3.5
164.04715	13.9
165.01871	1.8
165.05420	1.6
166.02615	1.2
167.03416	3.5
173.04500	1.8
175.00232	7.4
176.01083	6.3
177.01747	1.1
179.03432	1.4
179.07042	2.1
190.02647	25.3
191.03416	11.7
191.05542	3.0
192.04004	1.1
193.01407	1.5
193.04955	1.1
194.02176	1.2
195.02826	0.9
205.04984	24.3
208.03661	4.8
209.04465	2.3
223.06071	14.3
223.08067	1.2
249.06218	1.0
297.06122	4.4
315.07175	5.0
338.06458	1.0
352.07895	1.8
353.08826	3.5
367.10226	5.2
473.35388	0.9
517.13458	2.6
521.12970	100.0
522.13403	11.2
535.14819	1.7
563.13916	10.4
564.14313	1.0
683.18115	15.0
684.18634	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	683.1824
Annotation	Chrysosplenol C 6,4'-diglucoside
Peak:m/z	Relative Intensity
59.01248	2.1
59.42279	0.5
69.03332	1.9
71.01259	2.1
71.38128	0.9
81.03320	1.2
83.04870	0.8
83.52706	0.5
85.02822	2.5
87.00771	1.4
89.02291	1.2
93.03334	4.1
95.01286	0.9
96.95879	2.9
97.02822	1.4
107.01282	0.6
107.04891	0.6
108.02053	47.6
109.02857	9.7
111.04405	4.1
113.02312	1.7
118.96279	0.5
119.04892	1.8
121.02839	2.3
123.00771	0.9
123.04386	1.1
125.02331	3.4
126.81879	0.4
127.54744	0.6
133.02869	1.3
134.03613	0.8
135.04424	1.7
137.02345	1.4
143.04904	1.6
145.02812	0.6
148.01495	0.6
149.01205	1.0
149.02351	13.7
149.03545	0.8
150.03053	1.4
151.00299	1.5
151.03911	0.9
152.01059	71.2
153.01859	17.3
154.02168	0.5
155.03410	5.2
161.02359	0.6
163.03886	1.9
164.04703	12.8
165.01790	1.1
165.05348	1.1
166.02609	1.0
167.03448	1.2
173.04475	1.2
175.00287	4.3
175.03917	0.6
176.01093	5.4
177.01833	1.1
179.03465	1.0
179.05626	0.6
179.07091	2.0
190.02649	15.7
191.03432	12.0
192.03862	0.7
193.01381	1.0
194.02115	0.6
199.04132	2.8
205.05006	16.0
206.05345	0.8
208.03749	2.5
209.04477	2.2
211.07623	0.6
218.02158	0.6
223.06059	9.9
233.04485	0.7
265.08691	1.2
269.04764	1.9
287.59540	0.5
297.06216	2.9
315.07211	0.9
327.08804	1.5
338.06473	1.0
352.07968	0.6
353.08667	3.3
354.08899	0.7
355.08374	6.1
356.08664	0.8
367.10361	2.0
396.25763	0.5
477.12216	0.9
517.13965	0.9
521.12988	100.0
522.13318	11.1
563.14008	3.7
683.18042	37.8
684.18555	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	683.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.6
60.99181	2.7
65.00195	1.0
71.01257	2.1
71.57680	0.9
76.44717	0.5
83.01282	1.2
85.02797	1.1
87.00754	0.6
88.98673	8.3
89.02301	1.1
93.03330	1.6
95.01262	1.0
96.95867	0.6
101.02302	0.6
107.01263	2.0
108.02074	0.7
109.02835	2.2
110.02292	0.5
113.02319	1.0
121.02817	1.3
123.00772	1.6
124.01534	0.8
125.02352	4.7
133.02826	3.1
137.02335	2.6
147.04399	1.6
149.02296	2.0
149.04356	0.6
151.00267	5.0
152.01042	1.4
153.01831	2.7
160.03932	0.6
161.04451	0.5
163.00241	0.5
163.03883	0.5
165.05446	1.7
168.00473	1.7
169.01418	0.7
169.78790	0.5
173.04433	0.6
175.03908	1.6
177.01784	1.1
191.05527	0.8
199.03891	1.7
207.06535	0.7
209.00893	0.5
217.04813	0.8
233.04594	0.5
241.05046	0.8
256.03711	1.0
284.03244	13.5
285.04022	100.0
286.01498	0.9
286.04407	8.4
311.05591	1.0
315.07135	0.8
392.83383	0.5
431.10355	0.6
477.12299	3.1
503.19357	1.3
521.12543	0.7
593.15082	60.2
594.15369	9.5
683.16449	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	683.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.6
60.99181	2.7
65.00195	1.0
71.01257	2.1
71.57680	0.9
76.44717	0.5
83.01282	1.2
85.02797	1.1
87.00754	0.6
88.98673	8.3
89.02301	1.1
93.03330	1.6
95.01262	1.0
96.95867	0.6
101.02302	0.6
107.01263	2.0
108.02074	0.7
109.02835	2.2
110.02292	0.5
113.02319	1.0
121.02817	1.3
123.00772	1.6
124.01534	0.8
125.02352	4.7
133.02826	3.1
137.02335	2.6
147.04399	1.6
149.02296	2.0
149.04356	0.6
151.00267	5.0
152.01042	1.4
153.01831	2.7
160.03932	0.6
161.04451	0.5
163.00241	0.5
163.03883	0.5
165.05446	1.7
168.00473	1.7
169.01418	0.7
169.78790	0.5
173.04433	0.6
175.03908	1.6
177.01784	1.1
191.05527	0.8
199.03891	1.7
207.06535	0.7
209.00893	0.5
217.04813	0.8
233.04594	0.5
241.05046	0.8
256.03711	1.0
284.03244	13.5
285.04022	100.0
286.01498	0.9
286.04407	8.4
311.05591	1.0
315.07135	0.8
392.83383	0.5
431.10355	0.6
477.12299	3.1
503.19357	1.3
521.12543	0.7
593.15082	60.2
594.15369	9.5
683.16449	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	681.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	2.8
57.03333	4.1
59.01250	19.3
59.05786	2.2
61.98687	9.2
65.84533	2.0
69.03331	3.6
71.01262	11.1
71.58196	3.3
73.02807	5.5
83.01275	2.7
85.02839	7.1
89.02301	4.5
96.95877	15.6
97.06494	2.7
101.02323	5.6
109.06459	2.5
111.08083	3.1
113.02303	5.5
121.02847	2.7
125.02335	2.6
127.29573	2.0
134.03629	3.4
136.05179	3.7
137.02412	3.7
153.09097	6.3
160.01591	6.0
164.04720	2.5
165.12758	47.4
171.10205	3.7
175.03894	5.3
183.13826	100.0
184.14116	4.6
193.04991	3.1
205.12189	5.0
209.11761	8.0
227.12874	29.7
233.11571	5.1
256.18668	2.4
367.17535	3.2
637.32263	59.8
638.32385	8.2
681.37512	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	681.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.7
57.03314	1.2
58.00484	1.9
58.00732	0.5
59.01252	37.6
65.61034	0.4
69.03317	2.1
71.01255	39.1
72.01606	0.5
72.99179	3.6
73.02821	5.7
74.40938	0.3
75.00731	1.7
78.95730	0.4
81.03349	2.2
83.01264	3.9
85.02338	0.7
85.02828	9.5
87.00750	8.9
87.04414	0.6
87.38574	0.4
89.02318	31.7
90.02666	0.5
91.03873	1.0
93.03342	0.5
95.01265	3.2
97.02838	5.2
99.00774	2.6
101.02325	31.7
103.00211	0.4
104.34546	0.4
109.02825	0.8
111.00713	0.5
111.04384	0.9
113.02330	16.1
115.03873	1.0
115.50951	0.4
119.03387	9.5
125.02339	12.7
131.03386	1.9
133.04932	1.2
139.03897	1.0
141.01794	0.5
143.03398	5.9
149.04440	1.2
155.73428	0.4
157.04976	0.5
161.04460	7.9
167.03372	0.7
169.05034	0.8
171.10182	1.9
179.05534	7.0
185.11780	5.8
199.05939	0.6
217.07150	1.2
219.04936	0.5
221.06604	2.4
230.37326	0.4
230.39395	0.4
231.62276	0.4
235.08185	13.9
236.08514	0.6
245.06569	1.1
253.09212	4.1
253.21796	0.7
263.07718	1.5
277.09293	1.2
277.21664	5.2
278.21991	0.5
283.26413	100.0
284.26776	7.9
287.07803	3.5
305.08820	4.1
319.54578	0.4
323.09872	2.1
361.11450	0.8
379.12369	0.9
397.13495	92.1
398.13837	6.2
415.14569	34.3
416.14835	2.2
429.00516	0.4
430.33994	0.5
434.83432	0.4
445.23663	0.6
681.38440	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	681.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37088	0.6
59.01094	4.7
59.01427	3.2
60.58783	0.6
64.70393	0.9
69.39273	2.9
69.39700	3.5
71.01072	3.1
71.01496	1.8
75.00611	1.0
78.96827	0.7
82.02728	1.1
82.03188	0.7
83.01107	0.8
85.02620	2.9
87.00598	1.1
87.01035	0.7
89.02107	2.3
93.03186	1.5
94.02647	12.2
94.03313	3.2
94.06371	0.9
95.01136	1.0
96.95674	2.6
98.71342	0.7
99.00644	0.9
101.02110	2.3
106.06374	1.1
108.04194	3.3
108.07854	0.8
110.05774	3.9
113.02077	2.9
119.03175	0.7
119.04726	1.0
121.02692	1.1
122.05759	6.4
125.02179	0.7
134.03441	1.1
134.05743	3.8
135.04202	1.2
136.01239	0.6
136.07318	4.4
136.12503	0.7
138.05229	3.3
140.06894	0.9
141.03812	0.8
144.04204	0.9
146.05722	2.6
148.07356	1.5
149.02156	1.0
150.02896	0.8
150.05342	1.3
151.03683	1.2
152.00754	0.9
152.06801	4.1
153.01578	0.9
160.01208	1.1
161.02109	0.8
161.04396	2.4
161.05656	0.7
162.05295	1.0
163.03688	0.9
164.04474	1.3
165.05211	1.2
167.27043	0.7
173.04259	2.2
174.05223	2.3
175.03619	1.3
179.03146	1.1
179.05229	0.8
180.06290	14.4
181.04915	1.3
181.06612	0.8
186.05344	1.4
188.03273	0.7
188.06786	6.9
190.02370	2.2
191.05235	3.2
193.04826	1.6
201.10092	1.8
203.05540	1.1
203.11531	0.8
204.06294	2.3
205.04726	2.0
212.05511	2.9
213.10080	1.5
215.11534	1.9
218.04187	1.0
223.06006	0.8
223.08305	1.0
224.09077	1.3
225.10094	1.5
227.11435	0.9
229.09511	1.3
229.13089	0.9
231.11198	1.3
237.10294	4.2
238.10735	1.2
239.07903	3.1
239.11862	6.4
241.13290	1.1
248.11272	1.3
249.05881	1.6
249.10033	1.4
251.07950	3.0
251.11581	1.8
252.08832	2.0
252.12370	2.0
253.05867	2.3
253.09735	3.6
253.12842	0.8
255.11044	2.0
261.12225	1.6
263.07675	0.7
263.11487	2.2
264.08710	2.4
265.09808	8.7
266.06818	1.3
266.10114	2.1
267.07657	4.2
267.11322	5.5
268.08154	2.5
268.11786	2.6
271.09656	1.5
273.12387	1.6
274.12704	1.5
279.07407	3.0
279.11115	5.2
280.08127	3.5
280.11432	3.7
281.09283	9.8
281.12454	1.7
282.09222	0.9
283.10684	1.4
285.03799	2.0
285.08499	1.8
290.10223	1.4
291.10846	2.2
291.13431	2.0
292.08514	1.3
293.09299	8.0
295.10834	7.9
296.11551	8.6
297.12006	2.2
298.09454	0.8
299.10062	2.7
301.11758	1.4
305.09164	1.0
307.10873	15.9
308.11609	28.1
309.12195	4.0
311.09985	3.0
312.10944	1.6
313.11771	1.8
317.11478	1.0
318.11685	1.0
319.12653	2.8
322.09634	0.9
323.10010	0.7
325.03458	0.9
327.09311	0.8
327.13251	2.6
335.12292	3.5
336.12744	3.5
337.12836	3.5
339.09512	2.2
340.10605	16.8
341.10611	1.5
343.12622	0.9
344.13327	0.8
351.09540	2.0
352.10507	1.9
353.10062	1.4
362.18494	0.9
371.12161	2.5
371.26837	0.9
372.12970	2.5
373.13663	1.3
376.16461	1.5
388.16568	1.0
395.27209	0.7
402.18085	1.5
406.17645	1.0
418.17789	4.1
430.12207	1.2
430.17676	18.6
431.17841	2.3
433.15131	2.7
448.18741	18.4
449.18939	1.8
450.16443	1.3
452.17914	0.9
456.15469	1.0
474.16885	3.8
475.15799	0.8
492.17740	67.5
493.18130	9.7
496.20581	1.0
506.18982	2.4
512.20740	3.3
519.14655	1.2
524.20337	100.0
525.20721	13.5
587.25183	0.9
621.25317	3.6
622.26630	1.0
631.24194	2.9
649.24896	1.0
663.26611	5.5
681.27850	28.4
682.27783	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	681.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	1.1
69.54110	4.8
69.54512	2.7
71.01238	1.6
75.00752	2.8
85.02826	2.5
87.00758	16.4
93.03367	1.3
99.00771	3.3
105.01804	21.3
109.02811	1.8
118.39037	1.0
133.02843	1.6
134.03627	3.2
135.04411	37.6
136.04732	1.2
138.01363	0.9
147.02893	4.8
165.03952	100.0
166.04300	2.3
166.78769	1.1
173.04478	1.2
179.03410	24.3
191.05525	24.1
193.93056	1.0
221.95636	1.2
259.78210	1.1
271.09781	1.2
327.07184	24.2
328.07663	1.7
353.08609	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	679.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21994	1.1
57.03313	1.6
59.00982	1.8
59.01249	19.6
71.01250	9.7
72.99174	1.3
73.02803	2.7
75.00751	1.7
76.14033	1.1
83.01260	1.9
83.80268	1.4
85.02821	5.6
87.00762	2.1
89.02316	5.2
91.05461	1.2
93.03335	3.7
96.95888	5.2
97.02863	1.2
99.00788	3.1
101.02323	4.1
101.52913	1.2
108.02074	1.7
109.02845	3.8
113.02330	5.5
115.00203	1.8
116.92719	3.0
117.03300	1.4
119.01279	3.8
119.04890	2.3
121.02848	12.7
122.05989	1.3
123.04419	1.3
125.02308	1.7
132.02086	2.5
133.02753	1.7
134.03606	5.8
135.04433	7.3
137.02332	3.8
141.04117	1.4
145.02827	1.4
147.00758	2.5
147.04388	6.7
149.02347	69.2
149.06015	4.5
150.03017	2.7
152.01022	3.5
153.01794	2.9
160.01585	2.6
161.02281	2.2
162.03215	2.7
163.03937	4.2
164.04701	57.7
165.01787	3.4
165.05309	3.0
166.02647	2.1
173.04457	3.0
175.00290	21.4
175.02505	3.2
175.03952	3.3
177.01668	1.5
179.03404	3.0
179.07007	7.0
188.18431	1.3
190.02629	56.0
191.03307	3.1
191.05524	2.3
193.05072	6.1
205.04997	74.1
206.05379	2.2
207.10205	1.4
209.04433	1.3
223.06062	100.0
224.06355	5.1
225.14888	1.5
235.06027	1.4
254.83217	1.4
256.03812	1.4
284.03189	3.7
285.04138	7.8
287.09280	1.9
311.05597	4.0
429.20779	2.0
443.12360	1.6
475.30548	2.9
585.24017	2.2
593.26581	1.5
629.22961	4.8
635.16833	3.2
635.27002	56.5
636.27002	8.5
647.23651	7.1
679.26172	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	679.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.0
57.03307	0.9
58.00470	1.4
59.01248	33.3
60.01579	0.3
67.01750	0.3
68.99664	0.5
69.03327	2.0
69.32151	2.1
69.32558	0.6
69.50259	0.3
71.01249	31.8
72.01537	0.3
72.99171	2.5
73.02813	5.4
75.00727	0.7
81.03323	1.2
83.01251	3.7
83.04889	0.6
85.02817	8.2
85.99973	0.3
87.00748	7.5
89.02310	26.9
91.03866	0.6
93.03324	0.3
95.01266	2.5
97.02829	5.2
99.00735	2.1
99.04417	0.5
101.02314	26.2
102.02664	0.5
103.00272	0.4
109.02840	0.6
111.00804	0.6
111.04377	0.7
113.02326	12.1
115.03873	0.8
119.03385	8.8
119.47762	0.3
121.02782	0.4
123.00743	0.3
123.04481	0.3
124.01522	0.6
125.02328	12.0
127.03896	0.4
129.01843	0.3
131.03442	1.3
133.04916	1.0
139.03876	1.0
139.40984	0.3
141.01807	0.8
143.03398	5.5
149.04434	1.0
161.04449	6.0
167.03378	0.8
169.04971	0.4
174.83397	0.3
179.05527	5.6
185.04364	0.5
186.05606	0.3
188.43181	0.2
199.01886	0.3
203.05579	0.3
210.35706	0.3
217.07101	1.1
219.05005	0.5
221.06561	2.3
227.05788	0.3
235.08173	12.7
236.08482	0.5
245.06584	0.9
253.09276	3.9
256.14340	0.3
259.08133	0.3
263.07660	1.1
277.09268	1.1
281.24829	100.0
282.25204	7.4
287.07693	3.1
295.26315	0.7
305.08737	3.4
323.09778	2.1
361.11334	0.4
379.12396	0.8
397.13458	76.5
398.13806	5.2
415.14532	31.3
416.14969	1.8
679.38763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41339	1.7
57.03318	1.7
59.01250	46.5
59.83323	1.9
61.11216	1.8
69.03344	1.9
71.01254	37.5
71.57988	3.0
72.99165	9.5
73.02819	2.7
75.00750	16.6
79.02356	1.7
85.02827	27.1
87.00751	7.3
88.47809	1.7
89.02299	12.0
91.38737	1.6
93.03302	3.3
95.01240	5.6
96.95882	3.0
98.95464	2.7
99.00748	12.6
99.01857	2.9
101.02304	5.2
103.00254	2.8
113.02327	39.3
115.00236	2.6
117.01822	3.2
119.03403	2.1
125.02331	2.5
129.01834	2.0
131.03386	2.6
135.04466	2.1
141.04105	13.5
151.00288	1.9
157.01331	2.0
161.13272	7.5
175.02251	2.1
187.11203	5.2
205.12259	9.7
207.05098	2.1
249.06136	14.8
249.11278	4.0
257.09546	1.9
267.07205	55.1
268.07419	2.4
269.04526	18.8
284.03265	3.4
285.03955	5.0
303.09537	9.0
307.11063	2.0
335.12177	2.4
343.12991	2.1
371.08273	4.3
455.19186	11.2
481.16956	2.2
499.18274	37.2
500.18277	4.3
517.19476	8.4
577.15582	4.4
585.52649	2.0
593.26056	2.1
656.28210	1.8
679.24536	100.0
680.25073	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	679.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32697	0.9
55.01749	1.4
57.03316	3.9
58.00459	1.6
59.01250	39.1
67.01759	1.2
68.99684	1.5
69.03336	2.0
69.56415	7.8
71.01253	32.9
72.99190	5.7
73.02805	2.2
74.53028	1.0
75.00745	14.7
77.60646	1.0
83.01254	3.0
85.02826	28.5
87.00737	9.9
89.02322	13.3
91.03863	2.0
93.03318	1.5
95.01262	5.9
96.95881	3.8
98.20497	2.0
99.00757	9.8
101.02320	6.1
103.00252	1.9
109.02822	2.0
111.00797	2.2
111.04408	1.2
113.02335	35.1
114.02657	1.3
115.00237	2.1
117.01817	1.8
119.03407	2.2
121.02811	1.0
122.06014	4.7
124.01591	1.3
124.03904	1.5
125.02347	6.1
129.01817	2.6
133.04942	1.5
135.04393	3.0
136.03903	2.2
136.07565	5.2
138.05476	1.1
143.04935	1.1
149.05951	1.3
149.99484	3.2
150.05522	4.1
153.01833	1.5
161.05984	1.4
161.13263	7.7
168.00574	5.2
175.02382	2.9
180.47495	1.2
186.09315	1.2
187.11198	3.6
189.05469	9.6
191.05565	1.3
201.06468	1.6
205.05064	1.6
205.12354	5.7
207.04921	1.7
207.06665	1.6
215.08202	1.9
228.10402	1.8
229.09706	6.0
230.11781	4.6
245.09245	3.4
249.06091	14.4
255.11304	1.4
257.09299	3.8
263.44147	1.1
267.07205	46.0
268.07776	1.5
273.12460	9.8
275.10300	1.5
317.11334	7.4
331.06714	8.7
334.11874	1.3
335.12466	45.5
336.12692	3.3
343.13098	1.4
455.19205	6.3
499.18167	15.7
500.17981	1.7
517.19373	6.3
679.24609	100.0
680.25061	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	679.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41339	1.7
57.03318	1.7
59.01250	46.5
59.83323	1.9
61.11216	1.8
69.03344	1.9
71.01254	37.5
71.57988	3.0
72.99165	9.5
73.02819	2.7
75.00750	16.6
79.02356	1.7
85.02827	27.1
87.00751	7.3
88.47809	1.7
89.02299	12.0
91.38737	1.6
93.03302	3.3
95.01240	5.6
96.95882	3.0
98.95464	2.7
99.00748	12.6
99.01857	2.9
101.02304	5.2
103.00254	2.8
113.02327	39.3
115.00236	2.6
117.01822	3.2
119.03403	2.1
125.02331	2.5
129.01834	2.0
131.03386	2.6
135.04466	2.1
141.04105	13.5
151.00288	1.9
157.01331	2.0
161.13272	7.5
175.02251	2.1
187.11203	5.2
205.12259	9.7
207.05098	2.1
249.06136	14.8
249.11278	4.0
257.09546	1.9
267.07205	55.1
268.07419	2.4
269.04526	18.8
284.03265	3.4
285.03955	5.0
303.09537	9.0
307.11063	2.0
335.12177	2.4
343.12991	2.1
371.08273	4.3
455.19186	11.2
481.16956	2.2
499.18274	37.2
500.18277	4.3
517.19476	8.4
577.15582	4.4
585.52649	2.0
593.26056	2.1
656.28210	1.8
679.24536	100.0
680.25073	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	679.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54893	0.1
55.01766	0.1
57.03312	0.1
59.01256	0.9
63.02262	1.8
64.99881	0.2
65.00185	0.9
68.37170	0.1
69.65252	0.6
71.01260	0.6
72.99188	0.1
75.00739	0.1
83.01270	0.4
85.02830	0.3
89.02353	0.2
91.01778	0.2
93.03328	0.8
96.95879	0.2
105.03358	0.2
107.01275	1.6
110.83105	0.1
113.02313	0.3
117.03347	4.0
119.01260	0.3
119.04932	0.1
121.02828	0.3
125.02380	0.2
134.03629	0.2
135.04396	0.4
137.02283	0.1
147.00847	0.1
149.02342	1.4
149.05983	0.2
151.00256	1.1
154.04114	0.1
155.05038	0.2
157.06476	0.2
159.04413	1.5
160.01624	0.1
161.02330	1.0
164.04706	0.5
165.01866	0.1
165.05418	0.1
169.06491	0.5
169.12181	0.2
171.04439	0.2
173.05882	0.1
175.00276	1.7
176.00964	0.2
180.05743	0.2
181.06482	0.5
182.03624	0.1
183.04428	0.9
187.11107	0.1
189.01886	0.2
190.02634	3.5
191.03337	0.2
193.04993	0.2
196.05225	0.4
197.06010	0.8
199.03893	0.2
201.05446	0.6
205.04999	2.1
223.06078	0.4
224.04539	0.3
225.05511	1.4
227.03500	0.5
239.03494	0.1
241.05009	0.2
268.03760	1.8
269.04541	100.0
270.04880	6.5
283.06177	1.2
285.04013	0.3
371.11359	0.3
387.19943	0.1
409.11325	0.5
439.58224	0.1
450.27197	0.1
455.09842	0.6
473.10767	0.7
481.35526	0.2
510.20132	0.1
679.16650	4.2
680.16949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22108	1.7
50.45007	1.7
54.15689	1.6
55.03724	1.7
55.87437	1.8
57.03309	4.4
59.01245	42.8
63.22789	1.6
68.99685	1.9
69.03333	4.1
71.01250	40.9
72.99164	8.4
73.02808	2.8
75.00746	16.7
75.03533	1.6
83.01253	4.9
83.04908	2.1
85.02815	30.1
87.00745	8.7
88.19767	1.8
89.02314	14.7
93.03342	4.7
95.01267	9.1
96.56144	1.9
96.95893	9.5
97.85607	1.8
98.95473	7.5
99.00729	10.4
99.01837	2.4
101.02319	7.0
103.00241	2.8
108.02098	1.9
109.02833	2.7
113.02337	43.6
115.00280	4.5
117.01830	2.6
119.03366	3.0
122.05963	2.4
123.00759	1.8
125.02323	4.1
129.01793	4.1
135.04390	6.5
137.02322	3.1
141.04076	14.6
149.02296	2.6
153.01776	3.1
157.01369	2.8
161.02309	3.7
161.06010	1.8
161.13255	7.3
163.03871	3.3
167.03354	2.2
173.04485	3.5
175.02396	3.9
175.03883	3.1
176.04730	3.2
177.05380	2.6
179.03413	3.5
187.11220	5.1
191.05573	4.0
193.04916	3.2
205.04988	2.5
205.12239	7.8
207.04857	1.9
229.09859	2.5
230.50601	3.6
249.06061	18.4
257.09250	1.9
267.07196	52.8
268.07425	2.4
269.04517	25.9
270.04739	1.7
271.02475	3.4
273.12482	1.9
284.03244	6.7
285.03955	14.6
286.04413	2.5
299.02081	3.0
299.05518	2.0
303.09488	10.8
323.14941	2.3
334.11627	2.4
357.13382	5.5
371.08380	3.6
375.76538	2.2
401.12527	3.8
413.12436	2.4
455.19247	9.3
474.12082	2.3
499.18195	35.0
500.18509	3.3
517.19318	15.6
518.19489	2.2
577.15814	3.6
635.16034	8.9
647.24670	2.5
679.24579	100.0
680.24786	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	679.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	1.1
59.01246	26.3
65.00204	1.4
69.03307	1.4
69.54470	2.6
69.54893	4.6
71.01254	9.7
72.99160	2.5
73.02800	1.3
75.00743	9.6
78.95745	0.9
79.31200	0.9
79.95615	1.3
83.01247	1.9
85.02810	8.8
85.83878	1.0
87.00753	3.0
89.02313	2.3
93.03320	1.7
94.02882	1.5
95.01247	2.4
96.95886	35.0
96.96549	1.6
96.96854	2.3
97.02837	1.1
98.19787	1.9
99.00745	8.7
101.02287	1.1
107.01254	3.6
108.04458	1.5
109.02821	1.6
111.04464	1.1
113.02333	12.2
117.01846	1.6
119.04923	1.2
121.02840	1.3
122.05999	3.3
124.03964	1.4
125.02336	2.0
129.01801	1.0
133.02858	5.1
134.03612	2.7
135.04369	2.3
136.03932	2.6
136.07565	4.7
137.02373	2.7
147.04279	1.1
149.02335	2.8
149.99641	1.1
150.05495	4.1
151.00278	7.0
157.01315	1.5
161.02391	2.0
164.04700	1.7
165.01822	2.3
169.01282	1.6
173.04431	1.3
175.02405	1.0
175.03885	2.6
179.03368	2.2
179.06952	1.1
180.04175	1.4
187.11217	1.0
191.05588	1.4
195.06554	2.2
196.74774	0.9
199.03952	2.4
201.06523	1.2
205.12234	1.7
207.10162	1.2
211.03984	2.1
223.13289	4.2
227.03413	2.0
227.07115	1.1
227.09222	2.0
228.10121	1.8
229.09799	7.5
230.11827	3.5
231.04903	1.0
243.02786	1.1
245.09250	2.0
248.97409	1.0
249.06126	9.7
255.11305	2.4
256.03693	4.6
257.04080	1.0
257.09283	2.3
267.07175	7.5
269.04416	1.0
273.12457	11.5
283.02628	1.3
284.00024	2.7
284.03253	94.6
285.04004	100.0
286.04471	5.8
317.11456	6.5
334.11728	1.9
335.12457	39.0
336.12787	1.7
343.12790	1.9
429.08319	3.0
447.09659	1.3
473.11020	1.3
473.20114	1.7
496.83331	1.2
499.18088	9.6
514.52252	1.1
517.19250	27.9
518.19592	2.4
559.20184	2.1
561.40601	1.2
575.13715	6.6
576.14380	1.1
593.15375	7.0
619.23389	1.6
626.81018	1.1
635.16132	92.0
636.16547	12.5
647.23499	1.8
679.24957	11.3
680.23944	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	679.1508
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.30570	0.6
59.01239	2.8
65.00196	1.5
69.03324	1.0
73.54939	0.7
75.00745	0.8
81.81866	0.7
83.01260	2.0
87.00720	0.9
95.01218	1.2
96.95889	0.9
107.01248	2.6
109.02834	1.0
116.05203	0.9
119.04890	0.7
125.02332	1.0
133.02870	4.2
134.03609	1.2
135.00801	1.0
135.04405	0.9
143.04985	0.8
149.02240	1.6
149.99380	0.8
151.00294	5.7
152.00795	0.6
153.01770	1.6
160.01482	0.7
161.02390	0.9
162.56142	0.7
165.01907	0.8
175.03889	3.4
177.01840	3.1
185.06042	0.8
187.03906	1.2
192.00597	1.5
197.05876	0.9
199.03879	3.0
209.62939	0.7
211.03865	1.1
212.04704	0.9
213.05435	1.0
217.04839	1.0
220.28943	0.7
227.03389	1.5
229.04858	1.1
235.83046	0.8
241.05133	1.8
255.02902	1.5
256.03668	2.7
257.04596	1.1
268.03699	2.0
269.04459	3.6
283.02405	1.8
284.03244	63.4
285.04010	100.0
286.04449	7.4
299.05554	1.2
327.05255	0.9
331.38974	0.8
372.59045	0.8
471.09329	2.1
479.90341	0.8
489.10480	3.0
575.13660	1.7
593.14954	4.0
635.16132	65.8
636.16681	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	679.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	1.6
63.02280	1.4
65.00202	1.1
69.37032	1.5
69.37457	2.1
77.39171	0.3
78.58703	0.4
83.01250	1.0
107.01278	2.8
109.02817	0.8
113.02360	0.4
121.02834	0.8
132.02092	0.5
133.02832	5.7
134.03581	1.3
136.53271	0.4
149.02351	1.7
151.00273	5.6
169.01318	0.4
175.03912	2.9
183.04376	0.4
185.06036	0.5
187.03935	0.6
188.04660	0.6
195.04445	0.5
199.03973	2.3
200.04726	0.7
201.01817	0.8
201.34409	0.4
211.03941	1.2
212.04779	0.5
213.05608	0.9
214.02658	0.4
215.03441	0.5
217.04999	1.4
227.03432	1.8
239.03494	0.8
241.05000	0.8
243.02873	1.0
255.03012	1.3
256.03708	4.5
257.04526	0.8
261.19803	0.4
268.72607	0.4
269.04572	0.5
283.02438	0.7
284.03247	71.7
285.04010	100.0
286.04343	6.5
299.05682	0.5
309.04166	0.7
320.61496	0.4
327.05136	1.3
329.94193	0.4
335.12393	0.4
471.09674	0.6
489.10645	2.0
517.19318	1.1
593.15106	1.8
635.16132	70.4
636.16473	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
59.01246	3.7
60.20740	0.2
60.21058	0.3
61.98712	0.4
63.02246	1.3
65.00188	1.0
66.97639	0.2
67.01746	0.3
70.72636	0.5
70.73045	0.5
71.01247	1.9
72.99159	0.3
73.02821	0.4
80.99703	0.2
83.01254	0.8
85.02815	1.1
86.98647	0.2
87.00753	0.7
89.02319	1.2
93.03322	0.9
95.01249	0.6
96.95872	0.8
99.00742	0.5
101.02325	1.0
105.03315	0.6
107.01265	2.2
108.02044	0.4
109.02812	1.5
111.00780	0.3
113.02319	1.2
117.03342	2.2
119.03467	0.3
119.04897	1.0
121.02853	1.3
123.00787	0.3
123.04410	0.4
125.02356	0.6
125.09580	0.3
132.02078	0.4
133.01822	0.5
133.02835	7.4
134.03583	1.0
135.00732	0.2
135.04378	1.1
136.05219	0.3
137.02295	0.9
145.02831	4.3
146.03181	0.3
147.04367	0.4
149.02316	3.0
149.06013	0.3
151.00264	4.3
151.03908	0.3
152.01079	0.4
153.01785	0.8
153.09256	0.3
159.04482	0.3
160.01540	0.7
161.02336	0.8
161.04378	0.3
163.03917	0.7
164.04753	0.6
167.03386	0.3
168.00514	0.3
169.12167	0.3
171.04448	0.4
171.10216	0.4
173.04504	0.3
173.05981	0.3
175.00226	0.6
175.03879	3.4
176.04475	0.3
177.01811	0.6
179.03287	0.3
185.05998	0.6
187.03972	0.6
187.11137	0.3
189.05521	0.5
190.02626	1.6
191.05487	0.4
193.04980	1.0
197.04431	0.4
197.06026	0.3
198.03140	0.3
199.03903	2.3
201.01830	0.9
205.05032	1.4
205.12306	0.3
213.05534	0.8
215.03511	0.5
217.04996	1.3
223.04079	0.4
223.05991	1.7
227.03539	0.3
229.05070	0.6
239.03456	0.5
240.04143	0.4
241.04971	0.8
243.02922	0.8
255.02927	0.5
256.03827	0.3
257.04434	0.6
267.02878	0.5
267.07352	0.3
269.04236	0.3
281.08377	0.3
283.02396	0.5
284.03244	3.8
285.04007	100.0
286.04382	6.4
311.12936	0.5
471.09698	0.3
489.10211	0.8
568.78229	0.2
593.13342	0.7
635.14014	32.8
636.14270	4.9
678.34149	0.4
679.30853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20173	0.2
55.76159	0.2
57.03329	0.2
59.01250	2.5
61.98695	0.3
63.02259	1.4
65.00185	1.0
67.01746	0.2
68.41129	0.2
69.03330	0.2
71.01244	1.3
72.99202	0.3
73.02813	0.4
75.00747	0.5
81.03305	0.2
83.01266	1.0
84.95000	0.2
85.02811	0.8
85.53346	0.2
87.00757	0.4
88.98675	0.2
89.02311	0.6
93.03334	0.7
95.01286	0.2
96.95869	0.7
99.00749	0.2
101.02314	0.6
105.03363	0.5
107.01272	2.1
108.02100	0.2
109.02850	1.4
111.00736	0.3
111.04286	0.2
113.02316	0.7
117.03347	2.0
119.04918	3.3
121.02827	1.2
123.00797	0.3
125.02319	0.7
132.02010	0.3
133.02838	5.8
134.03694	1.4
135.02858	0.3
135.04402	0.8
137.02296	0.6
139.03893	0.2
139.33330	0.2
145.02853	4.3
147.04417	0.3
149.02333	3.0
150.03047	0.4
151.00262	4.1
151.03860	0.5
152.01038	0.3
153.01849	0.6
159.04393	0.3
160.01614	0.3
161.02246	0.3
161.04501	0.2
163.03851	1.3
164.04675	0.5
165.05440	0.5
168.00514	0.3
169.01283	0.3
170.71883	0.2
171.04433	0.3
173.04509	0.2
173.05952	0.3
175.00302	0.7
175.03908	2.8
176.04584	0.2
177.01837	0.7
178.02441	0.2
179.03424	0.2
185.06015	0.6
187.03955	0.3
190.02597	1.3
193.04919	1.1
197.05962	0.5
198.03186	0.3
199.03886	2.0
200.04500	0.3
201.01843	0.6
205.04994	0.9
213.05557	0.5
215.03490	0.4
217.05020	1.2
223.04120	0.3
223.05951	1.1
229.05031	0.4
229.18996	0.3
241.04962	0.7
243.02992	0.8
255.02898	0.6
257.04538	0.6
267.02756	0.3
267.07083	0.3
283.02588	0.4
284.03235	3.8
284.06131	0.3
285.04016	100.0
286.04370	7.0
321.87582	0.2
339.08578	0.3
353.10492	0.3
471.09445	0.3
489.10507	0.6
497.14551	0.2
515.15875	0.3
593.13013	0.5
635.14038	28.1
636.14380	4.8
679.27887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.1
58.02835	0.3
58.69765	0.1
59.01247	1.1
69.03330	0.3
71.01255	0.6
71.59450	0.2
72.04393	0.1
72.99184	0.2
75.00742	0.3
80.04930	0.3
81.03328	8.4
82.03649	0.1
83.01231	0.2
83.04893	20.6
84.05235	0.4
84.09872	0.1
85.02830	0.5
87.00761	0.3
89.02319	0.3
89.75378	0.1
93.03345	0.5
95.01254	0.2
96.01856	0.1
96.95899	0.7
96.96414	0.1
97.02787	0.2
99.00764	0.3
100.07561	0.3
101.02328	0.3
104.15350	0.1
107.06034	0.5
108.02045	0.3
108.04428	0.6
109.02840	0.5
111.04380	0.2
113.02321	0.4
115.00250	0.3
119.04908	0.5
121.02847	0.3
123.04456	0.1
125.02391	0.2
125.07089	1.4
126.05497	0.5
133.02838	0.2
134.03592	0.4
135.04398	0.3
137.02359	0.4
140.03505	0.1
141.04106	0.2
143.03442	0.1
143.08133	0.6
145.02879	0.3
149.02344	0.4
149.05983	0.2
150.03145	0.1
151.00253	0.3
151.03891	0.2
152.01033	0.5
153.01802	0.5
157.13354	0.3
160.01563	0.3
161.02339	0.3
161.04390	0.1
163.02667	0.1
163.03906	0.5
165.04065	0.2
165.05559	0.2
167.03264	0.1
169.01315	0.2
173.04463	0.5
175.00269	0.1
175.03911	0.4
178.02498	0.2
181.04903	0.1
190.02577	0.3
191.03461	0.1
191.05530	0.4
193.04984	0.4
199.18137	0.1
205.04958	0.2
207.14934	1.9
217.04921	0.1
219.56180	0.1
223.06052	0.2
224.17648	3.1
224.34650	0.1
225.16031	13.1
226.16406	0.7
242.18677	0.9
251.13948	0.2
268.03583	0.2
268.16675	0.4
269.04501	0.2
272.06262	0.1
284.03143	0.4
285.03854	0.8
286.04343	0.3
290.22372	0.2
291.20874	0.3
309.21698	0.8
310.21692	0.1
317.70697	0.1
324.26315	0.7
327.08820	0.3
333.22900	1.0
339.07120	0.3
339.27789	0.2
341.29242	1.3
349.08948	0.1
351.23962	0.4
367.27081	1.0
385.28204	0.6
401.69949	0.1
407.33817	0.3
419.66547	0.1
433.05521	0.1
433.31802	1.5
434.31927	0.1
450.34558	1.4
451.32858	6.1
452.33185	0.8
535.38556	0.2
550.43402	1.0
559.39673	0.4
565.44556	0.3
567.45538	0.1
593.44086	0.7
636.16534	0.2
649.19586	0.2
659.48645	1.4
660.49695	0.2
677.18677	1.7
677.49634	100.0
678.49945	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	62.5
61.98687	30.1
70.92620	40.6
70.92992	17.6
71.01234	18.4
78.95769	50.5
96.95875	23.7
113.02363	20.0
137.66728	14.5
152.99460	43.5
159.81563	14.4
167.03369	15.6
211.13362	100.0
272.93524	15.9
331.22739	15.8
410.42679	17.3
447.22516	18.5
452.81409	16.4
595.27307	21.3
677.34308	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03310	1.2
58.00465	1.7
59.01249	37.7
60.11749	0.3
62.11742	0.4
67.46730	0.3
69.03310	2.0
71.01250	32.4
72.01618	0.4
72.99164	2.9
73.02813	5.8
75.00721	1.0
78.95782	0.4
81.03320	1.8
83.01244	3.9
85.02819	8.3
85.99966	0.4
87.00748	8.5
89.02312	29.9
91.03836	0.5
93.03297	0.4
95.01251	3.0
97.02824	5.8
99.00753	2.4
99.04379	0.4
100.01466	0.4
101.02318	28.5
102.02623	0.6
109.02817	0.5
111.00827	0.5
111.04382	0.8
113.02324	13.9
115.03888	0.8
119.03379	9.9
123.00702	0.6
123.04382	0.5
124.01555	0.5
125.02330	12.0
131.03389	1.6
133.04948	0.8
139.03906	1.2
140.41135	0.4
141.01779	0.8
143.03381	5.8
143.04408	0.6
149.04468	1.0
152.99533	0.4
153.27748	0.4
161.04460	6.5
167.03406	0.8
179.05530	5.6
180.62790	0.4
185.04474	0.7
199.06052	0.5
203.05537	0.5
217.07098	1.0
219.05185	0.5
221.06619	2.6
235.08180	12.9
236.08492	0.5
245.06664	1.0
253.09213	2.5
261.22354	0.7
263.07687	1.5
277.09186	1.0
279.23267	100.0
280.23581	7.2
287.07727	3.1
293.25052	0.7
305.08765	4.0
323.09979	1.8
324.10101	0.4
361.11575	0.7
379.12750	0.7
397.13467	74.2
398.13812	4.6
415.14548	30.5
416.14600	2.2
677.37775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42325	0.6
58.10926	0.7
59.01246	2.0
62.10352	0.7
67.39682	0.6
70.01958	1.9
70.02373	1.8
77.80359	0.6
78.95801	1.1
91.03865	1.4
98.11790	0.7
116.92944	0.6
119.80360	0.7
139.00008	0.6
171.10141	1.7
189.15457	0.7
195.13791	1.2
211.13315	1.5
223.13443	1.4
229.14360	1.3
293.21237	21.8
327.21710	5.6
438.13385	2.7
452.15045	1.1
480.14499	0.9
481.15097	14.3
482.15619	2.5
494.15402	0.9
495.16885	3.8
539.15692	2.9
540.16370	4.0
544.03241	0.9
554.18286	0.9
555.18884	27.9
556.19055	5.2
572.15521	6.2
573.15863	1.6
586.16785	1.1
603.42023	1.1
609.19922	1.3
627.20978	2.0
641.22614	25.0
642.22919	7.1
677.20215	100.0
678.20477	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	677.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27982	3.3
56.81290	3.5
59.01250	19.1
61.98697	5.5
66.51218	3.7
69.27856	43.4
71.01231	6.7
78.95776	9.1
96.95902	3.8
98.67614	3.5
99.00754	6.3
101.02283	4.4
122.14542	4.1
131.26073	3.8
140.22472	3.9
163.57060	3.9
171.10156	7.6
183.13879	7.2
190.47165	3.9
196.67761	4.0
207.10014	4.4
209.11839	8.1
211.13324	100.0
212.13611	9.8
278.34262	3.9
342.45602	4.0
348.57263	3.9
429.21045	4.6
447.22461	14.7
572.10370	4.3
623.34186	22.0
641.35205	9.8
677.33478	30.7
678.34119	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	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80904	0.3
51.03526	0.3
55.01755	1.6
57.03326	1.7
58.00460	2.4
59.01247	56.9
60.01589	0.4
68.99691	0.4
69.03317	2.6
71.01249	44.3
72.01595	0.3
72.99173	2.7
73.02811	6.8
75.00752	1.0
80.10990	0.2
81.03318	1.7
83.01256	5.2
83.04876	0.4
85.02820	9.0
85.99961	0.6
87.00745	10.8
87.04409	0.3
89.02312	36.1
90.02649	0.4
91.03889	1.2
93.03339	0.3
95.01266	2.9
95.04939	0.3
97.02821	7.0
99.00756	2.8
99.04406	0.4
101.02316	35.9
102.02635	0.6
103.03896	0.5
109.02805	0.6
109.90229	0.2
111.00752	0.6
111.04392	1.3
112.01550	0.4
113.02321	17.5
115.03860	0.9
119.03379	11.8
121.02843	0.7
123.00805	0.3
123.04405	0.7
124.01532	0.3
125.02329	14.3
126.02713	0.4
127.03930	0.8
127.07567	0.3
131.03400	2.1
133.04956	1.3
137.02333	0.3
139.03906	1.4
141.01860	0.8
142.02496	0.3
143.02338	0.5
143.03403	6.7
149.02316	0.3
149.04478	1.1
161.04457	8.0
167.03377	0.7
169.04988	0.6
171.02849	0.3
179.05505	6.3
185.04497	0.9
199.06111	0.3
203.05611	0.4
213.75301	0.3
217.07098	1.2
219.05042	0.5
221.06592	2.6
233.22743	0.6
235.08177	15.0
236.08588	0.4
245.06641	0.7
253.09248	4.2
259.20697	0.5
263.07657	1.5
268.56470	0.3
275.20218	0.4
277.09256	1.1
277.21701	100.0
278.22040	8.2
287.07693	3.6
288.08182	0.3
305.08737	3.9
322.74167	0.3
323.09885	1.9
361.11511	0.4
379.12335	1.1
397.13467	79.0
398.13818	5.8
415.14536	34.0
416.14908	1.9
502.38730	0.3
518.81146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.5
59.01237	1.0
60.99180	0.6
67.01753	1.6
70.58934	1.3
71.01242	1.3
73.34010	0.4
74.59184	0.3
77.24545	0.4
81.03326	0.7
83.04891	0.6
85.02813	6.0
87.00752	3.5
93.03333	17.3
99.04427	0.5
109.02835	0.5
109.46151	0.4
111.04395	4.4
113.58047	0.4
115.00293	0.4
119.04910	17.5
120.05252	0.6
127.03916	1.5
128.05600	0.3
129.01836	0.9
131.04897	0.4
137.02362	1.0
143.04929	1.6
145.02811	1.1
155.03394	3.2
163.03912	25.1
164.04208	1.1
173.04468	26.7
174.04773	0.8
191.05530	100.0
192.05923	3.3
210.11684	0.4
211.07637	0.9
223.07590	1.1
237.09143	3.2
239.10716	1.3
265.08591	1.9
283.09796	2.8
309.07669	1.1
327.08710	27.9
328.09137	2.3
337.09268	11.8
337.13324	0.7
338.09692	0.9
441.08673	0.4
457.14963	1.5
469.70471	0.4
483.13062	2.1
501.14026	21.6
502.14188	2.9
584.19397	0.5
675.19257	26.2
676.19434	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	675.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.8
59.01490	0.7
62.50314	0.7
63.02250	0.9
65.00189	0.9
69.74472	0.7
70.05922	3.4
71.01244	1.7
75.00705	0.9
82.95262	0.8
83.01238	1.2
85.02795	1.2
88.60999	0.6
93.03311	0.9
96.95891	1.7
98.20393	0.9
101.02327	1.7
107.01250	2.9
113.02308	1.8
119.04868	1.0
121.02905	1.1
125.02346	2.1
133.02835	9.5
134.03615	0.8
134.36520	0.8
134.46730	0.7
137.02312	1.7
149.02313	2.8
151.00278	5.5
152.00925	0.7
161.02390	1.0
161.04579	0.8
165.12746	2.8
173.04434	0.9
175.03902	2.6
183.13823	8.2
190.02565	0.8
191.05536	2.1
194.55489	0.7
199.03917	1.9
205.04961	1.3
205.55382	0.8
209.11734	0.9
217.05034	1.6
223.06102	1.4
227.12830	22.3
227.15117	1.0
228.13124	1.2
241.05003	1.5
272.17673	0.8
285.04022	100.0
286.04376	7.2
327.08896	1.0
369.20615	1.0
389.18143	6.6
469.21133	0.9
582.15802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74767	0.5
55.01764	2.3
57.03311	1.5
58.00468	2.3
59.01249	53.5
68.99683	0.6
69.03331	2.7
71.01251	40.9
72.01601	0.6
72.99177	2.4
73.02808	6.6
74.96530	0.5
75.00717	1.1
81.03333	2.1
83.01257	5.0
85.02824	9.1
87.00748	11.2
89.02314	36.7
91.03879	0.6
94.31539	0.4
95.01247	3.2
97.02821	7.7
99.00763	2.3
99.04369	0.7
101.02319	34.9
102.02653	0.5
109.02879	0.9
109.65001	0.5
111.04421	0.9
113.02329	15.7
119.03374	10.8
121.02823	0.7
124.01614	0.5
125.02336	14.8
127.03909	0.7
129.01782	0.5
131.03363	2.2
133.04987	1.1
139.03864	1.2
141.01839	0.8
143.03380	6.2
149.04448	1.0
160.95428	0.5
161.04457	7.2
167.03386	0.8
167.16396	0.4
168.07831	0.5
169.04929	0.5
179.05527	8.4
185.04533	1.3
199.05972	0.8
203.05379	0.5
216.90622	0.5
217.07097	1.5
221.06607	2.7
235.08188	14.0
245.06445	0.7
253.09221	4.4
259.50510	0.5
263.07666	1.6
275.20151	0.7
277.09378	1.3
277.21710	100.0
278.22015	7.7
287.07733	3.3
296.12842	0.5
303.19925	0.6
305.08780	4.4
318.42764	0.5
323.09888	2.0
379.12549	0.9
397.13486	80.2
398.13745	4.7
415.14551	34.9
416.14856	2.8
540.13599	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33031	0.7
55.01772	0.9
56.45888	0.7
57.03320	1.7
59.01247	6.3
60.99174	1.4
61.98698	1.1
67.01756	5.6
69.03334	2.0
71.01247	6.5
71.58824	0.7
72.99192	2.0
73.02827	1.3
81.03333	1.7
83.01253	1.5
83.04880	1.7
85.02827	9.7
87.00743	9.6
89.02324	1.4
93.03330	37.6
95.01266	1.4
96.95881	18.4
97.02832	1.3
99.00755	1.7
101.02325	2.2
108.02083	2.1
109.02843	4.5
109.03954	0.7
111.00768	0.9
111.04409	8.3
113.02344	2.0
115.00246	1.1
117.03339	2.4
119.04912	87.7
120.05244	2.3
121.02837	2.0
123.00762	2.1
123.04440	2.1
124.01582	1.1
124.72545	0.8
125.02326	3.9
127.03918	2.4
129.01749	1.4
132.02069	2.9
133.02859	3.7
134.03612	6.5
135.04425	4.1
137.02371	4.6
141.04083	2.2
142.14653	0.7
145.02829	6.5
149.02316	1.7
149.05936	1.9
149.81570	0.8
150.03056	1.2
151.00264	2.0
151.03896	2.0
152.01051	2.4
153.01855	5.3
155.03404	4.8
159.04411	0.7
160.01566	17.0
161.02371	12.0
163.03917	60.7
164.04431	2.3
165.01816	1.1
165.05621	0.9
171.02898	0.9
173.04468	26.4
174.01595	0.8
175.02492	1.3
175.03911	18.6
177.01842	1.5
177.05487	8.1
178.02715	1.4
179.03430	2.9
179.07001	0.9
190.02646	0.9
191.05537	100.0
192.05864	3.5
193.05014	7.0
195.06525	0.8
197.04466	1.3
203.03455	0.8
209.07918	0.8
211.07680	0.8
223.06029	2.6
239.12801	0.8
255.03058	1.0
275.98471	0.7
285.03873	1.5
287.05725	1.3
289.07077	0.8
301.10742	1.4
313.08398	2.0
315.07260	1.4
322.06665	1.1
323.07672	14.2
327.08740	3.3
337.09280	17.4
338.09760	0.8
351.10797	14.8
352.11066	1.1
371.41956	0.7
391.77625	0.9
499.14380	3.3
501.14017	36.8
502.14200	3.8
523.16339	1.1
675.19073	54.0
676.19476	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	675.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55528	0.3
57.03312	0.7
59.01233	1.8
60.99154	0.6
67.01760	2.2
69.03325	0.7
71.01248	2.0
72.99188	0.4
73.02814	0.7
74.10967	0.3
81.03325	1.1
83.04881	0.8
85.02815	11.8
87.00748	3.7
93.03328	18.3
94.03693	0.4
96.95897	0.4
99.04394	0.6
109.02834	1.3
109.34481	0.4
111.04398	4.8
115.13105	0.3
117.03381	0.4
119.04905	22.3
120.05238	0.8
127.03889	3.0
129.01772	0.4
130.05954	0.3
137.02316	1.6
143.04904	1.1
143.60243	0.3
145.02867	0.7
145.06456	0.4
155.03380	2.4
163.03909	15.8
164.04257	0.6
171.02898	0.7
173.04456	21.6
191.05524	100.0
192.05908	3.0
209.02975	1.1
211.07568	0.8
223.07625	0.9
237.09143	2.4
238.09933	0.4
239.10677	1.3
265.08612	0.9
283.09775	2.8
309.08011	0.5
327.08688	18.3
328.09003	1.8
333.11731	0.6
337.09225	4.4
457.15125	0.6
473.45187	0.4
483.12671	0.6
501.13998	12.3
502.14481	1.3
639.24371	0.4
675.19275	15.8
676.19214	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	675.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10079	0.3
50.12687	0.4
57.03322	0.5
59.01234	1.9
60.99171	1.2
67.01762	2.9
69.03326	0.7
70.35098	1.2
71.01243	2.1
81.03329	1.0
83.04887	1.7
85.02820	12.0
87.00737	5.7
92.15782	0.5
93.03327	32.0
94.03692	0.7
96.95895	0.9
96.99174	1.2
97.59948	0.4
98.45741	0.4
99.04350	0.5
101.02259	0.5
109.02829	1.3
111.04398	4.2
115.00275	0.6
117.03351	0.9
119.04913	11.5
120.05209	0.5
123.04449	0.6
127.03922	2.8
129.01802	0.9
130.04169	0.4
131.04909	1.8
133.02829	1.4
137.02344	1.2
143.04922	7.5
145.02858	1.9
154.10884	0.4
155.03375	1.7
163.03922	7.6
164.04259	0.4
171.02931	0.6
171.04378	0.9
173.04459	13.0
191.05527	100.0
192.05896	2.7
211.07568	3.6
221.09850	0.5
223.07631	1.4
235.07657	1.4
237.09169	3.0
265.08679	8.2
283.09805	1.3
309.07767	3.6
327.08719	46.0
328.09015	2.9
334.49179	0.4
337.09344	2.3
408.91153	0.4
457.15265	0.7
483.13120	1.0
501.13971	19.2
502.14429	1.6
675.19226	28.5
676.19562	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	675.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12175	0.3
57.03328	0.4
58.61029	0.3
58.99502	0.4
59.01244	2.3
59.60705	0.3
60.99170	0.7
63.16066	0.3
64.40246	0.3
67.01762	1.8
69.03319	0.9
70.71106	1.0
71.01260	1.9
72.53601	0.3
73.02802	0.4
81.03333	0.9
83.04895	1.3
85.02816	12.7
85.85610	0.3
87.00735	5.3
87.11076	0.3
93.03327	19.1
94.03677	0.5
96.95881	3.3
96.99214	0.8
99.00753	0.5
99.04387	0.7
106.65003	0.3
109.02821	1.1
111.04391	4.3
117.03412	0.4
119.04900	9.5
123.04388	0.5
125.02322	0.5
125.91778	0.3
127.03895	2.8
129.01762	0.5
131.04895	0.5
133.02805	0.4
137.02348	1.1
143.04907	2.2
145.02867	1.0
155.03404	0.9
163.03922	6.5
169.39809	0.3
171.02914	1.0
173.04456	9.8
191.05524	100.0
192.05884	2.9
211.07582	1.5
223.07581	0.4
235.07518	1.0
237.09184	1.8
238.98494	0.3
239.10594	0.5
265.08701	2.8
283.09753	2.1
309.07596	1.1
327.08725	15.9
328.09070	1.4
337.09167	1.1
501.13959	7.2
502.14557	0.5
675.07813	0.8
675.19177	13.4
676.18878	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	675.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05345	0.3
57.03310	0.4
59.01254	0.7
59.47326	0.3
60.99187	0.3
61.38101	0.4
67.01752	1.3
70.35021	1.1
71.01253	1.5
81.03328	0.9
83.04900	0.8
85.02820	7.3
87.00748	3.1
90.24458	0.5
91.39522	0.4
93.03330	23.8
94.03662	0.7
95.57512	0.3
96.99187	2.8
99.04411	0.4
106.04060	0.3
108.02029	0.5
109.02826	2.2
111.00741	0.6
111.04412	3.0
113.92484	0.4
115.00263	0.9
117.03339	1.1
119.04911	9.2
123.04391	1.6
125.02356	0.8
127.03888	1.7
129.01794	0.9
130.04195	0.5
131.04918	2.9
133.02840	2.4
135.04364	0.5
137.02338	1.7
143.04918	12.5
144.05244	0.8
145.02818	1.1
145.06476	0.9
149.02339	0.9
152.01065	0.5
155.03387	2.5
158.79568	0.3
159.04425	0.6
163.03911	7.8
164.04559	1.1
171.02980	0.7
171.04424	1.6
173.04466	11.4
174.04726	0.4
175.03914	0.4
177.05466	0.5
179.07036	0.4
191.05527	73.6
192.05869	2.5
193.01343	0.5
208.03674	1.5
211.07559	7.3
214.95528	0.4
219.08138	0.8
221.09718	1.0
223.05981	3.4
223.07710	0.5
235.07639	2.3
237.09181	5.2
239.10698	0.9
245.08188	0.6
265.08670	17.1
266.08939	1.5
271.17020	0.4
283.09787	0.8
289.07495	2.4
309.07690	4.6
327.08710	100.0
328.09024	7.9
358.18311	0.3
483.12943	0.7
501.14038	15.8
502.14401	1.9
593.22479	0.4
675.19257	16.3
676.19373	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	675.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84193	0.1
57.03324	0.1
57.26735	0.1
59.01241	0.4
59.35029	0.1
70.89920	0.2
71.01244	0.4
73.02827	0.1
78.95770	0.5
79.95602	3.1
85.02824	0.4
85.35895	0.1
87.00754	0.2
93.03336	0.7
96.95887	100.0
97.95823	0.3
101.02328	0.2
108.02001	0.2
109.02824	0.3
111.04443	0.2
113.02322	0.2
119.04897	1.2
120.49704	0.1
123.04454	0.1
125.02367	0.6
134.03566	0.2
135.04358	0.2
137.02315	0.4
141.01837	0.1
149.02332	0.1
150.74358	0.1
151.00313	0.3
151.03883	0.2
152.01062	0.2
153.01811	0.2
155.03415	0.2
160.01538	0.2
161.02342	0.5
163.03865	0.7
166.99736	0.1
173.04466	0.8
175.03915	0.4
177.01881	0.1
179.03455	0.2
190.02669	0.1
191.05528	1.6
193.04987	0.1
209.08231	0.1
214.93376	0.1
255.02962	0.2
268.03793	0.4
269.04526	1.6
285.04016	0.4
286.04877	0.1
289.07300	0.3
323.07813	0.1
337.09308	0.2
501.13571	0.6
519.70660	0.1
577.15405	0.9
578.15613	0.2
587.34479	0.1
675.18732	0.8
676.19482	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	675.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82410	0.1
59.01246	0.6
67.01749	0.3
67.12671	0.2
69.03299	0.1
71.01246	0.5
71.58755	0.2
77.89445	0.1
78.95766	0.4
79.95605	2.8
85.02818	0.5
87.00741	0.6
93.03325	2.0
93.07826	0.1
94.54423	0.1
96.42764	0.1
96.95885	100.0
97.10310	0.1
97.95817	0.2
98.95541	0.1
99.00721	0.2
101.02309	0.2
108.02022	0.2
109.02835	0.5
111.04417	0.3
113.02274	0.1
115.00248	0.6
117.03310	0.2
119.04909	2.9
125.02319	0.8
134.03590	0.2
137.02338	0.5
141.04053	0.2
149.02396	0.2
151.03941	0.2
152.01135	0.1
153.01846	0.3
155.03380	0.4
159.03122	0.1
160.01552	0.2
161.02310	0.3
163.03914	2.3
173.04462	5.1
175.02400	1.3
175.03911	0.4
178.99895	0.2
191.05528	1.6
193.04953	0.2
206.11061	0.1
223.09662	0.2
245.08282	0.2
269.04547	2.8
270.04880	0.3
289.07239	0.4
337.09244	0.3
385.13126	0.3
490.88510	0.1
501.14069	0.9
521.09106	0.1
577.15558	0.5
675.20123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.6
59.01249	1.5
66.00835	1.6
67.01749	0.4
69.03348	0.3
70.14449	0.3
70.33112	0.3
71.01246	1.1
79.95605	2.7
83.01246	0.6
85.02814	1.1
87.00744	1.9
93.03323	2.5
94.97991	0.3
95.01245	0.4
96.95883	100.0
97.02806	0.4
99.00751	0.4
105.14444	0.3
108.02097	0.4
109.02840	0.8
111.00737	0.4
111.04436	0.6
113.02284	0.5
115.00233	1.9
117.03309	0.4
119.04901	2.5
121.02882	0.3
123.00748	0.4
123.04412	0.6
125.02300	1.9
127.03928	0.3
133.02843	0.4
133.80000	0.3
134.03610	1.7
135.04375	0.7
137.02336	1.1
139.00299	0.5
141.04080	0.8
145.02832	0.5
149.05925	0.4
151.00258	0.9
151.03940	0.5
152.01022	0.6
153.01857	0.5
155.03395	0.5
157.01297	0.4
160.01526	0.5
161.02332	0.5
163.00262	0.3
163.03914	2.0
166.99794	0.3
173.04495	2.6
175.02391	3.2
175.03911	0.8
178.99756	0.6
187.03914	0.3
189.01852	0.4
191.05519	10.6
193.04974	1.7
223.09723	0.3
231.14854	0.5
235.02551	0.3
245.09337	0.7
255.02892	0.4
269.31805	0.3
285.04172	0.4
287.01935	0.4
289.07101	0.7
293.04584	1.0
327.08762	1.1
337.09381	0.7
349.04681	0.9
349.09308	0.8
385.12634	0.5
413.08878	0.5
455.19748	0.3
473.81992	0.3
483.12607	0.4
501.14273	0.3
505.14886	0.5
513.13916	0.5
517.19086	0.4
522.72314	0.3
523.16327	0.7
577.15387	0.6
651.35193	0.3
675.19952	3.8
676.19916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.3
58.00457	2.8
59.01245	11.7
60.39433	1.1
61.98708	7.7
62.91771	1.1
71.01248	44.3
71.04848	1.2
71.21031	1.5
73.02807	4.7
75.89835	1.1
78.95764	4.9
80.02520	1.4
81.03314	3.6
83.04896	5.7
84.02048	1.8
85.02808	3.9
87.00737	3.5
89.02306	5.0
95.04900	1.0
97.02818	4.3
99.00761	4.2
101.02329	8.3
108.53567	1.1
109.02857	1.1
109.06464	13.0
110.03639	1.4
113.02301	5.3
113.54090	0.9
119.03415	1.8
119.17081	1.1
125.02345	1.5
125.09605	3.8
127.11155	1.8
135.07988	2.2
145.04953	1.5
161.04431	3.6
163.11180	12.9
165.12729	3.3
171.10188	16.0
181.12178	6.0
183.13832	9.7
185.11707	4.0
191.10722	1.5
193.12201	1.5
197.11771	1.2
199.13324	22.3
200.13618	1.4
201.11212	13.7
207.10181	30.3
208.10596	1.3
209.11755	100.0
210.12134	6.8
211.13319	75.4
212.13629	4.0
215.12804	1.6
225.11269	28.8
226.11577	2.4
227.12828	56.2
228.13135	3.2
229.14392	1.8
235.08221	6.5
243.12302	3.8
247.13368	3.3
249.15112	1.6
253.09219	13.5
265.14407	2.0
339.23203	1.6
373.23798	1.6
383.22305	2.4
389.14578	1.1
391.24939	1.8
401.23093	6.8
419.24249	4.8
431.96152	1.1
445.20483	1.5
447.22153	1.7
461.20145	9.0
463.21689	6.5
479.20959	1.6
520.40369	1.2
637.32031	6.0
638.32642	1.4
655.33057	9.0
656.33832	2.2
673.34149	18.0
674.34326	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	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	2.5
59.01035	1.4
59.01254	14.5
61.98704	7.8
69.03319	1.8
71.01251	51.6
72.45309	1.3
73.02820	3.8
78.95773	6.1
81.03351	2.7
83.01247	1.9
83.04888	4.0
85.02815	4.2
87.00756	2.6
89.02299	4.7
96.95873	1.5
97.02818	3.3
97.06472	2.0
98.19764	3.8
99.00761	3.7
101.02311	8.3
109.06464	9.4
113.02308	4.3
119.03417	1.7
123.08012	1.6
125.09612	4.0
127.11182	1.4
135.08023	2.4
152.99471	1.8
161.04485	3.7
163.11230	10.2
165.12778	4.0
165.32613	1.6
169.12231	1.8
171.10162	12.2
176.31230	1.5
179.05481	1.8
181.12233	5.4
183.13855	8.2
185.11732	4.0
193.12230	1.6
196.37132	1.6
199.13321	25.9
201.11234	6.5
207.10175	27.9
208.10437	2.0
209.11772	78.4
210.12137	7.8
211.13336	100.0
212.13663	6.6
225.11252	22.1
227.12836	77.1
227.15143	2.9
228.13147	3.9
229.14392	3.6
235.08191	7.0
235.13280	2.9
243.12325	2.1
247.13374	2.8
253.09196	14.4
265.14508	2.1
368.86060	1.7
373.23648	2.1
391.24722	2.1
401.23273	5.6
402.23578	2.3
419.24362	5.6
443.19376	1.8
443.44321	1.6
447.22415	3.1
461.20145	4.4
463.21759	10.1
637.32257	8.6
655.33453	7.8
656.33942	3.2
673.34253	18.8
674.34576	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	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90017	0.1
55.01759	0.2
57.03318	0.2
59.01245	2.2
65.87707	0.2
69.03309	0.2
71.01248	1.8
71.04902	0.1
73.02805	0.3
78.07349	0.1
80.02542	1.0
81.03329	1.3
83.01248	0.4
83.04892	4.4
84.02041	0.7
85.02830	0.7
85.31921	0.1
86.56458	0.1
87.00745	0.4
89.02313	1.4
93.03320	0.3
95.01239	0.2
95.04881	0.7
97.06459	0.3
101.02307	1.9
104.99101	0.1
109.02840	0.4
109.06454	0.3
111.08028	0.2
111.16226	0.1
113.02340	1.0
117.57814	0.1
119.03339	0.3
125.02322	0.5
125.05967	0.4
125.09557	0.5
133.05006	0.2
134.03595	0.2
135.08031	0.7
147.11653	0.2
149.04271	0.1
149.09590	0.2
149.99483	0.3
153.01828	0.8
161.04446	0.6
163.11182	3.6
165.11360	0.2
165.12729	2.4
168.00482	0.4
171.10153	2.2
179.05467	0.3
181.12238	0.7
185.11731	0.3
191.10712	1.1
199.13300	0.4
209.11749	100.0
210.12073	5.9
211.13345	0.5
221.11662	0.3
227.12819	12.8
228.13135	0.8
229.21542	0.2
235.08191	1.6
239.12865	0.2
243.06602	0.5
247.13336	1.4
251.13026	0.1
253.09236	5.9
265.14352	0.4
271.02371	0.2
300.02734	0.5
301.03555	0.7
314.09131	0.2
401.23096	0.2
407.19147	0.2
419.24393	0.2
437.25699	0.2
445.20984	0.5
501.13956	0.1
611.30835	0.2
637.32257	0.5
655.32526	0.4
673.21838	0.4
673.34296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	3.1
58.00460	2.1
59.01245	16.6
59.64942	1.6
61.98685	3.5
67.78403	1.8
71.01252	31.8
71.07019	2.5
71.07334	2.8
73.02818	3.6
80.20837	1.3
81.03300	1.7
83.01246	2.5
83.04890	5.3
85.02823	4.6
87.00719	3.4
89.02306	8.3
95.04918	2.1
97.02851	4.0
99.00717	3.3
101.02320	14.5
109.06431	5.3
110.53140	1.6
113.02325	4.1
125.02304	3.0
125.05904	1.5
145.04955	2.8
161.04372	3.2
163.11154	6.5
165.12708	13.7
171.10165	15.9
171.43353	1.7
181.12276	3.5
183.13823	100.0
184.14148	6.1
185.11702	4.0
191.10684	2.3
193.12363	2.9
199.09666	7.1
199.13303	16.8
201.11351	8.4
203.75932	2.0
207.10185	17.2
209.11755	92.0
210.12100	6.0
211.13332	84.9
212.13708	5.0
215.12740	3.2
225.11240	19.8
227.12807	40.8
228.13156	2.3
234.09879	1.8
235.08278	8.2
247.13287	2.6
253.09261	18.0
253.14343	1.9
284.03149	3.3
285.03989	5.2
286.04254	4.2
287.04361	2.4
292.26660	1.7
359.17615	1.7
368.88284	1.7
383.22147	2.3
401.23294	3.7
419.24356	3.9
447.21991	4.6
461.20288	2.2
463.22021	9.8
593.29956	2.4
619.31079	5.4
629.34357	3.5
637.32520	8.3
655.33405	14.9
655.61481	1.9
673.24994	5.2
673.34412	70.5
674.34863	10.9
693.33289	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	673.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.8
59.01249	15.5
61.98689	3.1
69.27409	20.2
69.27749	2.1
71.01254	30.7
72.99163	2.6
73.02812	5.2
80.65649	1.8
83.04891	7.2
84.02043	2.8
85.02818	5.8
87.00763	2.6
89.02314	6.1
95.01292	2.0
95.04930	2.3
97.02810	3.1
97.06462	2.8
98.20699	3.0
101.02311	11.3
102.27209	1.8
107.06699	1.8
109.06473	9.1
111.08098	2.3
113.02300	6.2
119.03357	2.4
125.02316	3.3
125.09605	3.8
127.11237	1.9
135.08040	2.9
155.10608	2.2
161.04491	3.3
163.11250	10.0
165.12703	4.6
167.14371	2.1
171.10181	22.1
181.12302	2.9
183.13794	23.7
185.11734	4.9
193.12273	2.4
197.11731	2.2
199.09677	14.6
199.13330	14.1
201.11353	8.7
207.10185	18.4
209.11774	100.0
210.12085	5.8
211.13330	90.1
212.13690	3.1
215.12819	6.3
225.11263	26.7
226.11678	2.3
227.12833	40.4
228.13150	2.5
235.08232	6.7
253.09253	16.5
285.04053	3.6
299.51578	1.8
303.94687	2.2
373.23627	2.2
383.22382	7.2
401.23297	7.4
419.24274	5.6
435.18738	2.8
447.22238	3.8
461.20328	7.3
463.21777	4.3
499.33713	2.0
593.30426	4.4
619.21991	3.9
619.31207	40.5
620.31378	7.7
629.31494	5.0
637.32275	16.7
655.33478	13.0
673.34650	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	673.214
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53913	2.0
53.35106	1.7
55.42131	1.9
56.68441	2.0
59.01259	10.2
69.03259	1.8
71.01252	6.9
71.35165	1.6
71.35533	3.0
75.00743	5.0
78.95763	3.2
81.11771	2.0
83.85578	2.0
85.02822	8.2
87.00771	5.3
89.02287	2.7
93.03345	4.2
96.58068	1.7
96.60522	2.0
96.62668	1.9
96.95866	3.9
97.02819	2.6
101.02326	3.4
108.02053	4.3
109.02837	7.6
111.00767	2.1
113.02347	11.8
113.03035	2.0
123.04402	2.9
125.02322	8.5
133.02853	8.2
134.26480	2.0
135.04373	4.7
137.02345	5.1
149.02367	3.1
151.00223	2.6
151.03908	3.3
152.01073	5.3
153.01871	3.2
154.91141	2.0
161.02364	2.5
163.03885	5.0
165.01859	3.7
173.04456	2.4
175.02449	2.0
175.03920	5.8
177.01842	2.2
191.05544	6.8
249.06230	2.9
255.03247	1.9
267.07202	21.6
284.03360	7.8
285.04001	7.1
291.07260	2.9
297.03952	12.4
298.04700	8.5
299.05603	16.7
300.05807	2.2
311.05463	2.8
315.07205	2.2
327.05106	100.0
328.05493	9.5
335.06210	3.2
339.05008	3.3
341.06815	2.0
357.06241	24.0
369.06567	2.4
393.06158	1.9
407.07794	3.2
447.09326	79.7
448.09451	9.0
532.97888	2.2
673.21826	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	673.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
59.01245	4.8
60.67269	0.4
60.97974	0.3
61.98686	1.1
63.02277	1.0
65.00197	0.7
69.03335	0.5
69.32194	0.9
69.32609	2.3
71.01245	3.9
73.02814	1.3
75.00732	0.4
77.80722	0.3
79.98669	0.3
80.02533	1.2
81.03339	1.1
83.01237	1.6
83.04889	4.0
84.02026	0.7
85.02805	1.4
85.50401	0.3
87.00746	0.8
89.02321	2.1
93.03321	0.7
95.01231	0.6
95.04882	0.6
96.95875	1.4
97.06441	0.4
101.02303	2.7
104.29465	0.4
107.01265	1.6
108.02058	1.8
109.02832	5.0
111.00700	0.4
113.02296	1.6
119.03379	0.5
119.04925	0.4
121.02819	1.3
123.00782	0.5
123.04389	0.5
124.01535	0.3
125.02352	1.7
125.05987	0.5
132.02097	0.4
133.02855	4.6
134.03563	0.5
135.00761	0.6
135.04396	0.9
135.08041	1.0
137.02293	1.8
138.01886	0.5
149.02356	2.4
151.00269	3.9
151.03844	0.5
152.01067	2.0
153.01843	6.2
154.02133	0.5
160.01500	0.3
160.82254	0.3
161.02322	0.6
161.04471	1.0
162.03072	0.3
163.03908	0.4
163.11221	3.3
165.05406	0.4
165.12749	1.9
167.03380	0.6
169.06596	0.3
171.04451	0.6
171.10172	2.3
173.04555	0.5
173.05975	0.4
175.03896	2.5
176.04100	0.4
177.01816	0.6
181.12263	1.0
183.10226	0.4
185.06052	0.6
186.50198	0.3
190.02649	0.4
191.05502	0.5
191.10768	0.7
193.04958	0.6
198.03169	0.4
199.03966	1.9
201.01889	0.6
205.04997	0.6
207.10339	0.5
209.11755	86.9
210.12119	3.5
213.05429	0.6
215.03448	0.4
217.04970	1.5
221.11725	0.5
223.06203	0.8
225.11320	1.0
226.02698	0.3
227.12837	10.8
229.05096	0.5
235.08202	1.8
239.03560	0.4
241.05016	0.7
243.02823	0.6
243.12398	0.5
247.13356	0.7
253.09229	4.7
255.03036	0.6
256.03836	0.3
257.04462	0.5
267.02890	0.5
282.01276	0.4
284.03302	5.6
285.04025	100.0
286.04346	7.5
287.05505	0.5
289.07037	0.9
301.03329	0.6
315.07187	0.5
349.20276	0.4
375.27454	0.7
445.20508	0.8
611.30731	0.4
613.19257	2.8
614.19800	0.5
637.32227	0.6
655.20331	1.3
655.32507	0.7
672.32550	0.5
673.21387	23.5
673.33789	2.9
674.21765	4.2
674.34082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.4
59.01247	7.0
61.98708	3.7
65.00227	0.9
65.03840	0.8
69.03333	1.5
69.31808	4.7
69.32224	1.1
70.79087	0.6
71.01244	5.3
72.99189	0.8
73.02819	1.2
73.59581	0.6
75.00756	1.5
81.03334	1.2
83.01255	6.2
83.04906	0.6
85.02825	3.7
87.00752	1.1
89.02309	1.2
91.01787	1.7
93.03339	5.3
94.02221	0.5
95.01272	1.4
95.04915	0.9
96.95888	2.0
97.02825	4.1
99.00764	1.1
99.04415	0.7
101.02316	2.8
107.04910	2.3
108.02048	1.3
108.49700	0.5
109.02829	5.9
111.45222	0.6
113.02311	3.8
117.03328	0.9
119.01255	5.3
119.04910	1.9
121.02831	8.1
122.03658	3.4
123.00771	1.0
123.04365	1.2
124.01572	1.4
125.02334	10.2
132.02055	1.1
133.02785	1.1
133.58926	0.6
134.03625	2.5
135.02858	0.9
135.04443	4.1
136.01501	0.6
137.02336	48.1
138.03012	2.2
139.03928	1.5
141.04138	1.5
145.02866	1.4
147.00758	4.3
147.04425	2.6
149.02336	41.2
150.03139	8.2
151.03908	5.1
152.01070	3.2
153.01813	2.3
153.05519	0.8
155.03452	0.7
159.04469	0.8
160.01657	0.6
161.02373	3.4
161.04460	0.7
162.03099	1.2
163.03905	6.2
164.04688	30.9
165.01839	5.3
165.04129	0.8
165.05453	4.4
166.02626	2.1
167.03378	2.0
168.00586	0.8
169.05038	0.6
173.04524	1.3
173.05969	1.0
175.00270	33.7
175.03772	1.3
176.00877	2.7
177.01794	1.8
177.05437	1.1
178.02507	0.6
179.03410	1.4
179.07004	3.4
181.04895	0.9
189.01839	1.2
190.02628	87.5
191.03220	5.7
191.05313	3.4
193.01329	3.0
193.04935	1.4
195.02890	0.7
199.07620	0.7
201.05519	1.5
202.06276	2.8
203.03432	1.2
204.04184	1.6
205.04985	100.0
206.05370	4.8
207.02916	2.5
208.03668	6.8
209.04323	0.9
209.08069	0.7
217.01378	0.9
217.08667	0.8
219.06596	1.3
220.07318	1.8
223.06055	65.9
224.06435	3.5
224.77208	0.5
227.03491	0.6
232.03714	1.2
235.09709	0.9
244.07320	3.9
247.06050	2.4
267.06900	0.7
269.04471	1.8
270.05325	1.7
271.02289	0.6
281.06686	0.8
285.03931	2.2
285.07498	2.1
303.08701	29.7
304.09079	2.7
327.08838	1.0
337.05545	4.7
337.09390	1.1
352.07980	6.5
353.08743	2.7
367.10300	62.7
368.10696	3.4
447.12958	2.8
465.14276	0.8
671.19635	29.5
672.20001	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	671.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84980	0.5
54.98723	0.6
57.03320	10.8
59.01249	6.8
61.98699	5.0
63.02260	3.0
65.00186	5.3
67.01755	0.7
69.03338	1.4
69.61427	3.2
69.61829	1.2
71.01254	5.2
72.99181	1.7
73.02822	1.4
75.00739	1.6
80.96372	0.6
81.03326	1.4
83.01251	7.8
85.02814	3.0
87.00749	2.8
89.02299	2.2
90.77122	0.6
93.03339	5.9
95.01251	1.9
95.04882	1.0
96.95900	3.4
97.02804	0.8
99.00769	1.1
99.04407	0.6
101.02328	2.2
107.01263	7.7
107.04924	0.7
108.02051	3.7
109.02837	6.1
111.00747	1.7
113.02324	2.3
115.00276	0.9
119.04916	1.5
121.02851	3.5
122.03584	1.1
123.00750	1.5
123.04407	5.3
124.01586	3.6
125.02331	100.0
126.02655	2.6
129.01808	0.8
132.02051	1.4
133.02843	14.2
134.03603	2.8
135.00749	1.5
135.04366	3.1
137.02338	8.6
138.05519	1.3
138.11320	0.6
139.03891	2.8
141.04129	0.8
143.04939	0.6
145.02884	0.8
146.03642	0.8
147.04401	1.2
148.01552	1.1
149.02333	13.5
149.99435	0.7
150.03166	4.9
151.00270	30.4
151.03868	4.5
152.01080	7.3
153.01836	41.2
154.02234	1.4
155.03409	1.0
160.01556	4.4
161.02353	4.5
161.04503	0.6
161.05980	1.1
162.03072	0.9
163.00269	2.6
163.03899	2.7
164.04723	4.0
165.01820	2.1
165.04082	0.7
165.05417	2.9
166.02565	1.4
167.03423	4.3
168.00504	0.7
169.01286	4.1
169.54379	0.6
171.04449	1.1
172.05173	0.8
172.55710	0.6
173.04448	1.3
173.05942	0.9
174.03120	1.7
175.00272	2.7
175.02582	0.6
175.03905	15.1
176.00983	1.6
176.04285	0.9
177.01846	15.5
178.02563	0.8
178.99774	32.0
179.03314	1.6
179.05672	0.7
180.00128	1.7
181.01318	6.4
181.04956	1.2
188.04665	2.3
189.01881	2.6
189.05484	4.3
190.02615	8.1
191.03612	3.4
191.05350	3.4
193.01370	1.1
193.04945	3.5
195.02994	1.5
195.06566	2.5
199.03943	6.0
201.01877	1.6
205.04967	3.2
207.02893	0.8
213.05504	1.3
216.04193	1.6
217.04982	7.3
219.02971	1.3
223.06094	2.3
231.06575	1.2
239.71472	0.6
241.04999	5.3
242.05450	0.7
243.02916	1.9
243.06458	1.1
254.07263	0.7
255.03021	0.9
256.03821	1.0
257.04578	2.0
259.06131	3.4
260.03024	0.6
265.04883	1.0
266.05768	3.7
267.07095	1.1
271.02408	2.8
275.05588	32.5
276.05905	2.4
281.08258	1.8
284.03250	2.8
284.06357	0.6
285.04025	44.1
286.04370	3.1
287.05707	0.7
289.07150	2.9
294.05325	1.7
299.02289	1.2
299.05606	3.3
300.02792	3.2
301.03571	3.4
303.05087	42.0
303.08362	1.6
304.05447	2.6
309.04242	1.3
309.07776	2.6
311.09216	2.0
313.11346	0.7
317.06671	1.7
323.07269	0.6
327.05328	1.0
327.08719	23.0
328.09225	1.5
333.10004	0.8
343.11630	0.7
345.09903	1.1
353.09027	0.9
367.10294	1.0
375.27313	0.7
378.59052	0.7
419.09851	1.2
429.08231	1.4
437.11096	1.3
443.59225	0.7
447.13165	2.0
463.08670	0.9
465.10046	1.7
476.15604	1.4
489.10367	1.6
519.11475	2.2
520.11420	0.9
521.12939	15.4
522.13220	2.0
547.10754	6.5
548.10907	1.3
549.12433	1.2
583.11029	2.1
643.16534	12.2
644.17310	2.5
653.15332	6.5
654.15729	1.0
671.15167	8.8
671.34064	1.0
672.16718	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	671.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	9.9
59.01251	11.3
59.28412	0.9
60.99194	1.0
61.98695	1.1
63.02273	2.3
65.00198	5.8
68.92443	1.0
68.99663	0.9
69.03345	1.3
71.00912	1.4
71.01249	7.1
72.99162	1.1
73.02845	2.4
74.64021	0.9
75.00754	2.7
79.45947	0.9
81.03334	1.6
81.73685	0.9
82.23858	1.0
83.01261	7.5
84.76288	0.9
85.02816	5.6
87.00761	5.5
88.98669	1.7
89.02324	3.6
93.03338	9.9
95.01257	2.9
95.70387	1.1
96.95870	5.0
97.02837	0.9
99.00751	2.6
99.04415	1.1
101.02325	3.1
102.25240	0.9
107.01256	8.8
108.02057	5.0
109.02839	10.3
113.02346	5.1
115.00311	1.2
119.04926	2.2
121.02811	5.1
122.03647	2.1
123.00755	2.4
123.04441	5.4
124.01567	3.5
125.02332	100.0
126.02682	2.2
133.02849	10.8
134.03613	3.2
135.04431	4.2
137.02341	12.2
139.00319	1.1
139.03857	2.8
141.04083	2.4
145.02866	2.2
147.04436	2.7
148.01503	1.2
149.02338	14.4
149.05960	1.1
150.03133	8.9
151.00270	29.1
151.03941	4.6
152.01076	9.8
153.01837	40.3
154.02148	1.3
155.03467	1.9
160.01593	4.9
161.02406	5.1
161.04507	2.1
161.05983	1.2
163.00261	2.8
163.03931	3.8
164.04680	5.3
165.01834	2.1
165.05476	6.6
166.02573	1.9
167.03406	5.1
168.00513	0.9
169.01295	4.5
171.04341	1.3
173.04541	2.2
173.05884	1.2
174.03143	1.5
175.00299	3.2
175.02486	1.9
175.03915	15.1
176.00995	1.1
177.01862	17.0
177.05374	1.1
178.02675	1.4
178.99776	28.0
179.03363	2.9
179.07082	1.8
181.01353	6.6
181.04961	1.5
185.00818	1.0
188.04712	1.9
189.01834	2.1
189.05482	4.7
190.02606	7.4
191.03415	3.5
191.05536	4.2
191.07060	1.2
193.01271	1.4
193.04958	5.2
195.02927	1.5
195.06570	3.2
196.06844	1.0
199.03970	6.3
201.01842	1.1
205.05075	4.8
212.04829	1.0
213.05545	1.8
217.04991	7.7
219.02928	2.8
223.06151	5.0
227.03534	1.0
229.22188	1.0
230.66599	1.0
231.06569	1.6
240.04248	0.9
241.04988	5.2
243.02937	2.4
254.39940	1.1
255.02928	3.8
257.04495	2.0
259.06009	5.3
266.05783	1.9
267.07181	1.7
271.02454	6.8
275.05576	27.8
276.05933	2.7
279.08707	1.9
284.03232	3.2
285.04028	42.1
286.04318	3.1
289.07040	1.6
297.06024	1.3
299.05615	3.9
300.02728	9.9
301.03506	6.9
303.05096	39.2
303.08478	2.8
304.05411	2.6
309.04138	2.5
311.09265	4.0
317.06503	1.8
323.07938	1.3
327.08719	11.0
328.09085	1.2
367.10327	2.3
429.08356	1.8
463.08859	1.5
464.08997	2.2
465.10306	1.6
519.11310	1.8
521.12994	11.3
547.10913	7.3
549.12231	1.0
583.11011	4.1
643.16522	12.0
644.16742	1.6
653.14691	4.4
671.16455	6.1
671.25116	1.2
671.33331	2.7
672.16412	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	671.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	9.2
57.88597	0.8
59.01245	2.8
59.74961	0.7
62.92523	0.7
63.02267	3.9
65.00190	4.8
66.78291	0.7
71.01274	1.1
71.59359	1.0
83.01253	7.2
85.02816	2.3
87.00758	0.8
89.02318	1.0
91.01749	0.8
93.03335	2.9
95.01265	1.6
96.95865	1.2
100.95966	0.8
101.02326	1.0
107.01272	8.3
108.73046	0.8
109.02831	5.0
111.00795	1.0
113.02335	2.1
116.92791	0.8
119.04910	0.7
121.02846	2.0
123.00774	1.3
123.04424	4.4
124.01556	3.0
125.02329	100.0
126.02663	2.8
133.02824	1.2
134.03638	5.4
135.00764	1.5
135.04373	1.3
137.02356	5.3
139.03902	3.4
146.34508	0.7
147.04425	1.8
149.02347	10.2
149.05962	1.3
150.03062	2.1
151.00262	29.1
151.03883	3.2
152.01086	5.4
153.01833	42.7
154.02199	1.4
160.01570	0.9
161.02364	1.4
161.04494	0.7
163.00255	2.5
164.04642	0.9
165.01878	1.3
165.05504	1.0
167.03419	4.0
168.00604	0.9
169.01314	3.3
171.04356	2.2
173.05966	0.8
174.03093	1.8
175.00276	1.3
175.03886	13.4
176.01057	1.0
177.01843	14.4
178.99783	34.7
179.03377	1.1
180.00101	1.0
181.01338	7.3
187.48668	0.7
188.04716	2.4
189.05518	3.9
190.02637	3.8
191.03401	3.5
191.05351	1.7
193.04974	9.8
195.02815	0.9
197.05968	0.7
199.03923	7.0
200.14610	0.8
201.01805	1.6
205.04988	1.7
207.02928	0.8
213.05577	1.1
215.03392	1.1
216.04126	1.1
217.05000	7.5
223.06073	1.9
231.06438	1.4
240.04395	1.0
241.05035	5.3
241.07108	0.8
243.02826	1.0
256.03717	1.1
257.04517	2.4
259.06161	2.5
267.07297	0.9
269.04456	2.9
274.03961	0.8
275.05615	36.9
276.05975	2.1
285.04022	36.1
286.04391	2.5
289.07190	3.2
299.05502	2.7
303.05072	32.2
304.05444	3.2
311.09229	1.8
317.06616	1.5
341.06094	0.7
367.10275	1.0
419.09848	1.8
437.34308	0.9
493.13586	1.3
501.19931	0.9
519.11346	2.3
521.12933	15.4
522.13336	2.1
547.10889	6.2
548.10925	1.3
549.12714	2.0
643.16571	16.9
643.27118	1.0
644.16840	2.8
653.14929	5.9
671.15845	9.1
672.16516	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74213	0.3
57.03306	0.8
58.20682	0.3
59.01245	6.7
67.01744	0.3
69.03317	2.4
70.12299	1.6
71.01255	3.8
71.04893	0.5
72.99178	0.7
73.02806	0.6
80.02539	0.9
81.03324	1.2
83.01246	0.5
83.04893	5.7
84.02016	0.8
85.02808	0.9
87.00726	1.0
89.02313	3.0
90.29972	0.4
93.03331	0.5
95.01231	0.5
95.04887	1.0
97.06472	0.8
99.00743	0.4
101.02316	4.2
109.02805	0.4
109.06448	1.0
113.02343	2.2
119.03370	0.7
125.02377	0.5
125.05965	0.4
125.09620	0.5
142.99788	0.4
143.03238	0.3
145.04953	0.6
149.09589	0.9
161.04448	1.3
163.11180	4.3
165.12752	2.7
167.04843	0.4
167.10690	2.7
167.32718	0.5
169.12119	0.4
171.10159	3.0
179.05545	0.4
179.10683	1.3
179.14345	2.5
180.14665	0.4
181.12236	0.5
185.11792	0.4
187.11208	0.5
191.10735	1.1
195.13834	8.6
196.14087	0.4
197.11716	0.5
205.10320	0.4
205.12265	7.5
206.12560	0.6
207.10167	0.5
209.11757	100.0
210.12108	4.9
211.13371	1.2
221.11884	0.5
223.13333	79.0
224.13678	4.3
225.11259	1.3
227.12830	15.9
228.13278	0.8
229.61440	0.3
235.05975	0.6
235.08150	3.9
253.09241	10.7
261.14941	2.6
307.08813	0.3
361.10919	0.6
415.24777	1.1
441.21149	0.7
445.20776	1.3
459.22388	6.6
460.22781	0.7
633.32678	0.7
637.68280	0.4
651.33209	1.2
669.31317	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	669.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	8.0
59.01250	25.8
61.10350	1.5
61.98693	5.2
69.03311	3.2
71.00884	2.3
71.01249	24.2
71.53880	2.2
72.99162	1.6
73.02828	3.6
75.00727	2.6
83.01234	3.1
83.04858	2.6
85.02811	9.1
87.00739	4.2
89.02291	11.0
93.03345	3.7
93.63435	1.5
95.01265	2.7
95.04903	4.0
96.95877	3.2
97.02825	2.8
97.06466	16.0
99.00755	4.4
99.77200	1.7
101.02302	12.5
104.22295	1.6
108.02018	1.9
109.02840	4.1
109.06472	3.6
111.00751	2.0
111.04358	2.1
113.02312	12.0
119.03349	2.1
121.02844	3.2
123.04356	3.0
123.08025	9.5
125.02330	3.2
125.09606	100.0
126.09902	3.2
134.03604	3.1
135.04445	2.0
136.05156	4.5
137.02255	4.5
137.34619	1.5
139.24736	1.6
149.02367	3.8
151.07506	5.1
153.01773	2.3
157.08540	4.6
160.01546	2.5
161.02440	2.2
161.04408	3.3
162.06720	5.8
163.11171	3.1
165.05464	2.0
165.09105	6.5
165.12698	2.9
169.08678	2.2
171.10168	7.3
177.09061	3.1
179.03342	1.7
179.05490	3.9
179.10616	1.7
187.09666	86.9
188.09984	3.8
195.06487	1.7
205.05045	2.5
207.10188	6.5
209.11748	21.4
211.13326	3.8
220.50436	1.8
221.11893	2.0
223.06012	3.8
223.09630	4.2
223.13298	8.2
225.11354	9.6
225.37822	1.9
227.12854	3.7
233.11893	2.7
235.08151	3.6
235.13380	8.0
253.09225	10.0
261.13358	3.2
263.12836	21.9
285.04080	1.8
405.17587	6.6
423.18698	40.8
424.19009	4.0
461.20026	1.9
465.35968	4.0
471.26114	3.1
507.25604	3.1
513.88409	1.9
560.29718	1.8
609.37439	5.0
627.37537	2.8
651.30176	7.2
669.30414	41.6
670.30920	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	669.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80466	0.8
55.91896	0.8
57.03314	1.5
59.01247	7.1
60.33734	0.7
61.98677	0.8
69.03320	3.6
69.39011	6.3
71.01245	5.3
72.99192	1.0
73.02832	0.9
75.00734	1.5
75.01395	0.6
78.95742	0.7
79.64794	0.7
81.03324	1.5
81.53252	0.6
83.01244	1.1
85.02823	7.2
87.00761	1.1
89.02318	1.6
93.03317	2.0
95.01241	2.2
96.95915	1.6
97.02825	2.8
99.00738	1.1
100.09034	0.7
101.02316	2.2
107.04881	0.9
108.02047	82.0
109.02846	29.0
110.03178	1.1
113.02317	5.3
117.03396	0.7
119.04874	1.1
121.02841	2.3
122.03634	0.9
123.00758	3.0
123.04427	0.8
125.02332	6.0
129.93268	0.8
133.02832	1.3
134.03642	1.8
135.00728	0.9
135.04401	3.2
137.02313	2.8
145.02921	1.8
147.04414	2.0
148.05151	1.1
149.02330	1.8
149.06004	0.9
150.03070	0.9
151.00270	1.6
151.03865	1.4
152.01047	100.0
153.01834	53.3
154.02126	2.0
160.01530	0.8
161.02406	0.9
163.03857	1.4
164.04622	0.9
165.01865	1.0
165.05524	0.9
165.09175	0.9
167.03384	1.5
173.02321	1.3
173.04480	1.0
174.03148	4.7
175.00237	0.9
175.02527	0.9
175.03964	2.6
177.01854	1.6
179.03468	1.4
187.04013	1.3
188.04770	1.0
190.02640	1.8
191.05569	1.5
193.04929	1.6
202.02577	1.0
203.03363	1.3
206.02100	0.9
209.06018	1.0
211.13322	1.4
215.03384	0.8
217.05038	2.9
219.95508	0.7
221.06155	1.5
229.05212	1.3
233.76755	0.8
237.05458	2.4
249.05727	2.2
250.06148	0.7
251.07101	2.4
255.02847	0.8
263.07202	1.2
265.04965	3.0
267.06723	7.1
268.07385	1.1
271.02563	0.9
277.04956	2.8
278.05838	1.4
279.06573	4.5
279.09891	1.6
280.07446	1.8
281.08331	1.0
282.08932	2.3
283.09760	1.1
285.04004	2.5
291.07047	1.4
293.04465	3.7
294.05353	3.8
294.09021	3.2
295.06067	1.6
297.06152	4.0
297.11252	0.8
300.02765	2.8
301.03391	1.2
301.07245	1.9
301.11020	0.8
304.07321	0.9
305.04507	2.3
306.05286	2.6
307.05832	1.3
308.06924	2.6
309.07632	7.9
315.07120	3.1
320.06833	2.6
321.07645	7.5
322.08154	1.0
323.05573	2.8
323.09201	6.7
324.06186	1.0
326.07901	0.9
335.09311	1.4
338.08026	3.1
339.08627	3.8
341.10202	1.8
353.10287	4.4
463.08542	1.1
471.13086	1.5
483.13104	3.2
533.12799	9.4
534.13153	1.3
639.06525	1.5
639.17133	30.4
640.17432	4.6
651.17102	32.6
651.78931	1.0
652.17267	4.3
668.37024	0.9
669.18176	57.3
669.29883	2.2
670.18445	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	3.5
69.03313	2.0
69.40524	4.2
69.40942	1.2
71.01243	2.4
72.99179	0.8
73.01185	0.5
75.00757	0.6
81.03331	1.0
83.01275	1.4
85.02815	2.0
87.00753	1.0
88.98675	6.2
89.02280	0.8
89.98948	0.8
90.99092	0.9
93.03322	2.3
95.01263	1.4
96.95899	1.4
97.02805	1.8
99.00724	0.7
101.02319	1.2
107.01269	1.4
108.02051	2.4
109.02805	1.4
111.43411	0.6
113.02336	1.1
117.03321	0.8
119.04951	0.7
123.00777	4.7
124.01552	11.5
125.02326	47.4
126.02628	1.2
134.03598	1.3
135.04358	1.2
137.02347	4.7
141.05371	0.7
145.02634	0.6
149.02350	1.6
149.17383	0.6
149.99477	21.0
151.00250	3.4
151.03854	1.2
152.01022	1.7
153.01785	0.7
161.02200	0.6
165.01784	0.9
167.03372	1.9
168.00545	53.6
169.01280	6.9
173.04495	0.7
193.04962	0.8
223.06049	1.0
248.72537	0.7
268.03925	0.8
269.04520	25.3
270.04834	2.5
271.15268	0.6
285.03937	0.7
313.05621	6.9
331.06680	100.0
332.07092	6.1
399.05670	25.6
399.09763	0.4
400.05862	1.6
477.10248	0.7
577.15302	3.5
669.16602	18.6
670.17041	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24945	1.2
57.03326	2.1
57.44375	1.2
59.01255	20.2
60.01601	1.5
63.02242	1.2
65.00226	1.2
69.03342	2.1
69.80170	8.4
71.01246	12.4
72.99194	3.4
73.02821	3.1
77.54023	1.1
77.94874	1.2
78.95779	1.5
83.01256	3.3
83.04898	1.4
85.02818	8.5
87.00759	4.0
88.98701	2.1
89.02323	6.5
93.03349	5.4
95.01272	2.6
96.95899	7.6
99.00767	2.5
99.01884	4.2
101.02338	5.6
103.00259	1.6
107.01287	4.7
108.02062	8.2
108.65833	1.3
109.02840	10.5
111.00786	2.6
111.01842	2.7
113.02328	8.8
115.00278	1.5
117.03313	2.3
119.03394	3.0
119.04913	5.8
121.02843	4.2
123.00771	2.7
123.04350	2.2
124.01570	2.6
125.02338	4.2
129.01822	1.9
133.02855	2.4
133.05002	1.4
134.03616	5.4
135.00771	4.6
135.04419	5.9
136.01570	2.7
137.02327	4.4
140.03333	3.5
141.04074	35.8
145.02863	4.3
148.01642	1.5
149.02341	5.7
149.05960	2.5
150.03156	3.4
151.00284	12.0
151.03934	1.7
152.01085	7.2
153.01892	7.3
160.01514	3.5
160.04024	1.2
161.02347	2.1
161.04459	2.6
162.03148	2.0
163.00305	5.0
163.03915	9.1
164.00980	1.9
164.04654	5.5
165.01836	2.7
165.05479	3.6
166.29453	1.3
167.03391	4.1
169.01338	1.3
173.04523	1.9
174.01630	1.2
175.00308	2.3
175.02554	1.5
175.03969	5.0
177.01865	2.7
177.05524	1.2
178.99805	3.9
179.03378	2.4
179.05653	1.3
179.07066	2.1
181.05042	2.2
187.03955	1.6
190.02641	4.7
191.03461	3.4
191.05533	6.6
193.04968	8.6
193.13493	1.4
195.06593	1.7
201.11421	1.3
205.05008	4.8
208.02237	2.8
211.03677	1.9
211.13461	3.4
217.04967	4.6
223.06099	5.5
223.13554	1.4
224.06587	1.8
226.02557	2.2
227.03505	5.1
235.06073	1.7
239.03355	1.7
240.04311	2.4
241.04895	1.6
243.02917	10.6
245.04663	1.4
254.02263	2.5
255.02974	25.9
256.03622	2.6
258.05237	1.8
267.07007	2.2
268.03696	3.3
269.04480	1.7
271.02469	55.3
272.02939	6.0
283.02625	1.7
283.05963	2.6
283.10791	2.4
284.03284	3.4
285.04059	7.6
286.04346	3.6
287.04706	2.4
299.02057	3.7
300.02734	100.0
301.03470	38.7
301.07175	26.6
302.03937	1.9
303.09445	12.3
304.09662	1.5
313.10904	2.0
315.05148	4.6
316.54160	1.6
353.08688	2.5
367.10257	2.0
371.08374	20.5
463.08783	47.6
464.09070	4.9
477.10361	3.1
489.18945	3.6
490.10400	2.6
491.10919	1.7
669.14459	35.8
669.24988	3.3
669.31598	4.0
670.14905	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.2
59.01250	1.8
59.29922	0.1
70.86710	0.1
71.01250	1.6
73.02820	0.4
75.35088	0.1
78.22019	0.1
79.85339	0.1
83.01258	0.1
85.02831	0.3
87.00738	0.2
89.02322	0.9
94.92014	0.1
95.01272	0.2
97.06447	0.1
99.00748	0.1
101.02311	1.3
102.02683	0.1
103.47321	0.1
109.67728	0.1
113.02333	0.7
119.03380	0.3
125.09603	0.8
127.11175	1.8
131.03410	0.1
133.59587	0.1
141.69582	0.1
143.03397	0.1
145.04950	0.1
147.61450	0.1
153.09116	0.5
161.04489	0.4
171.10176	100.0
172.10516	4.2
179.05534	0.3
233.22699	0.2
235.08185	1.2
241.20302	0.1
248.77756	0.1
253.09254	4.6
254.09682	0.2
259.20657	0.2
275.20078	0.2
277.21701	47.8
278.22067	4.1
307.04337	0.1
407.19302	1.1
513.30231	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	669.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88999	1.1
56.07063	1.0
57.03303	1.3
59.01244	13.8
65.00191	2.8
66.61985	1.0
71.01247	8.5
72.99171	1.6
73.02799	2.8
74.56938	1.1
80.21504	1.0
81.03323	1.0
83.01254	3.3
83.56791	1.0
85.02811	5.4
87.00736	2.9
88.98676	1.7
89.02295	4.0
93.02826	1.0
93.03333	6.6
95.01263	2.0
96.95876	3.9
99.00756	1.2
101.02315	3.3
104.54736	1.1
107.01248	4.4
107.04884	1.3
108.02007	5.8
109.02835	7.9
111.00768	2.1
113.02312	5.0
119.04898	2.0
120.54679	0.9
121.02829	4.1
123.00752	1.5
123.04385	3.0
124.01641	1.0
125.02302	3.3
129.01807	1.5
133.02858	2.6
134.03586	3.7
135.00746	1.6
135.04375	5.4
137.02357	10.3
138.02670	2.2
145.02840	1.4
147.04483	1.6
148.01617	2.3
149.02341	5.2
150.03133	1.5
151.00282	14.6
151.03888	2.8
152.01093	5.3
153.01866	4.8
160.01495	3.1
161.02304	2.3
161.04445	1.4
163.00253	4.1
163.03879	3.3
164.01019	1.7
164.04623	2.1
165.01860	2.7
165.05502	2.7
167.03392	2.2
169.01297	2.6
173.04413	2.5
175.00229	2.9
175.03906	3.6
176.01076	2.1
178.99791	6.6
179.03314	1.7
189.73050	1.1
190.02591	4.3
191.03400	5.1
191.05447	2.8
193.04942	2.3
199.03912	2.7
201.05389	1.0
203.03386	1.4
205.05000	4.0
209.04388	1.4
211.03917	1.4
211.13280	2.9
221.08113	1.6
223.06032	3.0
226.02678	1.7
227.03444	5.1
228.04152	1.3
229.04919	1.7
239.03297	1.3
240.04083	1.6
243.02991	12.8
245.04591	1.6
247.06084	3.2
254.02173	3.2
255.02950	32.7
256.03616	4.2
257.04520	1.5
258.05136	1.3
268.03702	5.4
271.02475	65.9
271.05872	3.7
272.03204	5.3
273.07608	3.6
283.02676	1.8
283.06155	3.6
284.03268	2.5
285.04031	9.9
299.01920	3.3
300.02731	100.0
301.03549	64.2
301.07050	7.8
302.03796	3.2
302.07034	1.4
314.04416	1.3
315.05063	4.4
353.08569	2.3
383.12741	1.2
397.13083	1.9
447.09457	1.7
463.08795	50.6
464.08978	3.0
477.10129	4.5
535.96960	1.3
669.14545	54.3
669.26715	3.5
670.14929	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	667.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.2
59.01244	2.9
71.01248	2.1
73.02827	0.6
78.95754	0.3
83.01241	0.2
84.58411	0.2
85.02832	0.5
87.00726	0.5
89.02320	1.6
97.02793	0.2
101.02312	2.1
101.23759	0.2
113.02337	0.9
113.33118	0.2
119.03381	0.5
125.09602	0.6
126.68713	0.2
127.11163	1.3
130.44780	0.2
143.03433	0.3
145.04945	0.3
153.09105	0.4
161.04442	0.8
170.27916	0.2
171.10172	90.2
172.10524	3.1
229.36307	0.2
230.64612	0.2
233.22832	0.4
235.08163	2.4
253.09259	7.3
259.20645	0.3
275.20099	0.4
277.21695	100.0
278.22040	7.3
278.24405	0.2
355.02399	0.2
407.19110	0.8
513.30701	0.5
521.99658	0.2
698.71753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	3.3
57.03316	3.4
58.00463	2.2
59.01247	42.6
61.98700	0.9
69.03305	0.8
71.01250	40.9
71.04890	0.4
72.99182	3.6
73.02816	8.5
75.00750	0.9
83.01262	6.6
83.04906	0.4
85.02821	15.3
85.99991	0.5
86.09785	0.4
87.00757	3.4
88.87019	0.4
88.98679	0.4
89.02314	20.2
93.03319	0.9
95.01252	3.2
96.95890	1.1
97.02831	0.8
99.00746	3.5
101.02319	27.3
102.02736	0.5
107.04921	0.4
108.02046	1.4
109.02881	1.7
110.37085	0.4
111.00750	3.3
113.02323	14.1
114.02681	0.5
116.45495	0.4
119.03383	7.3
119.04912	1.1
121.02894	0.6
121.10104	0.5
123.04407	0.6
124.03947	0.4
125.02336	1.8
128.44719	0.3
129.01802	1.3
131.03391	1.0
132.02203	0.5
133.02814	0.4
134.03650	1.1
135.00768	0.6
135.04417	0.8
137.02321	1.4
141.01820	0.7
141.04042	0.3
143.03400	1.4
145.02863	0.7
149.02322	1.3
149.04477	0.5
149.05949	0.6
150.03160	0.8
151.00301	0.8
151.03850	0.5
152.01039	1.6
153.01823	2.4
153.27045	0.3
157.12271	0.7
159.02887	1.8
160.01595	0.8
161.02382	0.9
161.04457	3.8
163.03914	0.9
164.04674	0.6
165.05525	0.8
167.03407	1.0
175.00333	0.5
175.03908	0.9
179.03391	0.5
179.05573	2.0
185.15492	0.8
190.02594	1.1
191.05450	0.4
192.04152	0.4
193.04968	1.4
197.11699	0.7
205.05019	0.8
215.07193	0.6
223.06026	0.9
255.02963	0.6
267.07312	0.5
269.04553	0.5
271.02234	0.4
280.37839	0.4
284.03168	1.3
285.03998	2.8
286.04446	0.5
289.07394	0.6
299.05521	0.6
315.07407	0.8
325.27628	0.7
343.28690	1.7
375.23691	0.4
377.10242	0.6
383.09140	0.5
398.11331	0.3
447.09543	0.4
487.32880	3.1
503.13489	0.4
505.33823	17.3
506.34216	1.8
583.67108	0.5
607.36841	0.5
649.19946	0.4
667.39069	100.0
668.39404	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	667.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10818	0.3
57.03299	0.6
59.01247	5.2
61.98684	0.4
63.02256	0.5
65.00185	0.8
69.03303	0.3
71.01246	3.3
72.99169	0.5
73.02791	1.0
75.00725	0.5
83.01261	1.3
83.04884	0.4
85.02821	1.7
87.00719	0.5
88.98634	0.3
89.02301	1.4
93.03306	0.8
95.01245	0.6
96.95858	0.9
97.02823	0.4
99.00750	0.7
101.02333	2.0
102.87052	0.3
107.01251	1.6
107.04901	0.3
108.02019	1.2
109.02850	1.2
111.00726	0.5
113.02319	1.9
117.03331	0.4
119.03397	0.6
119.04909	0.4
121.02863	0.6
123.04420	0.3
124.01511	0.3
125.02312	1.2
133.02837	0.8
134.03581	1.2
135.00729	0.5
135.04417	2.3
137.02310	1.2
145.02846	0.7
147.04366	0.3
148.01544	0.5
149.02304	1.0
149.99474	0.4
151.00267	4.1
151.03891	0.4
152.01064	1.4
153.01765	1.1
160.01492	0.7
161.02312	0.7
161.04501	0.6
163.03880	0.4
164.04697	0.6
165.05507	0.4
168.00490	0.3
169.01369	0.5
175.00237	1.1
175.03931	1.1
175.11197	0.3
176.01041	0.3
177.01715	0.4
177.05469	0.3
179.05496	0.4
179.06955	0.3
190.02655	2.4
191.05475	0.4
193.05016	0.6
193.06978	0.3
200.04651	0.5
205.04967	2.3
209.11775	0.5
211.03922	0.5
219.10052	0.3
223.05974	0.5
227.03505	0.8
243.06656	0.5
255.02901	1.4
256.03714	3.1
261.06216	0.3
269.04422	0.4
283.02487	1.0
284.03244	64.3
285.03726	6.2
286.04266	0.4
287.05600	1.8
299.05588	100.0
300.05914	6.3
301.07141	0.4
314.04333	0.3
315.07175	0.5
353.10315	0.5
367.10358	1.0
387.20190	0.4
443.09708	0.5
447.09509	0.3
461.11075	0.4
505.33475	0.4
585.39795	0.3
607.37006	1.7
625.38123	1.5
667.16791	3.4
667.29303	0.9
667.39838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.7
59.01250	4.1
63.02282	1.2
64.44894	0.4
65.00197	1.5
67.01747	0.5
69.03356	0.4
70.07509	1.3
70.07932	0.8
71.01248	2.7
72.99174	1.0
73.02806	1.3
75.00732	0.6
83.01254	1.2
83.04829	0.4
85.02822	1.6
87.00768	0.7
88.98673	0.4
89.02329	1.3
93.03333	1.7
95.01293	0.5
96.95884	1.5
97.02862	0.5
99.00758	0.9
101.02310	1.5
105.03389	0.4
107.01282	2.4
108.02047	1.3
109.02835	2.9
111.00723	0.4
113.02313	1.5
119.01287	0.3
119.03487	0.4
119.04937	2.1
121.02856	1.9
123.00739	0.8
123.04385	1.1
125.02355	0.7
132.02007	0.4
133.02850	5.2
134.03622	3.7
135.04445	2.4
137.02327	1.6
141.04024	0.4
145.02859	0.7
149.02318	2.8
149.05957	1.1
150.03104	0.6
151.00253	5.3
151.03896	0.7
152.01050	1.7
153.01836	1.5
159.04411	0.9
160.01585	0.8
161.02354	0.7
161.05937	0.7
162.03101	5.0
163.00235	0.4
163.03923	1.6
164.04695	1.1
165.01794	0.5
165.05440	1.1
167.03398	1.3
169.01340	0.6
171.04337	0.5
173.04501	0.6
175.00227	0.5
175.03888	3.0
177.01845	0.8
177.05487	2.2
177.07559	0.4
179.03410	0.5
183.04433	0.7
185.02394	1.3
185.65007	0.4
186.03131	0.8
187.03935	0.9
190.02609	1.4
191.05493	1.0
193.04961	1.0
193.06934	0.4
199.03889	2.4
201.01868	0.8
201.05508	0.8
205.04980	1.8
211.03888	0.9
213.05533	0.6
215.03345	0.5
217.04962	1.2
223.06104	0.8
227.03384	0.8
239.03383	0.4
240.04466	0.5
241.04973	1.1
243.02893	0.7
247.06113	0.9
255.02977	1.3
256.03714	2.9
257.04468	0.6
267.02921	0.6
267.07056	0.5
271.02502	0.9
283.02322	1.4
283.99988	0.8
284.03250	35.0
285.04019	100.0
286.04391	6.4
287.09256	0.7
297.04031	0.8
299.01944	1.5
299.05573	4.3
315.07144	0.6
327.05145	0.9
349.09308	2.5
447.09268	8.5
448.09473	1.2
481.06412	0.5
489.10336	38.8
490.10687	3.8
505.18295	0.5
517.10010	2.9
593.26245	0.5
634.61975	0.5
635.24225	0.5
649.15509	16.0
650.15613	2.2
667.16449	3.1
667.28864	1.4
668.13959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18385	0.3
59.01247	1.7
60.11960	0.3
60.99177	16.0
65.00189	0.3
70.35220	0.7
70.35629	0.7
71.01248	1.3
72.99182	0.5
75.00770	0.4
77.85139	0.3
85.02834	0.9
87.00737	0.5
88.98676	100.0
89.02323	0.8
89.99023	0.9
93.03329	0.6
93.08858	0.3
95.01328	0.4
96.07599	0.3
96.95889	0.4
101.02341	0.5
107.01263	0.4
108.02068	0.6
109.02837	1.0
113.02335	0.8
117.03409	0.3
123.00776	0.4
123.04385	0.4
125.02309	0.6
135.04381	0.7
137.02325	1.1
139.00249	0.5
149.02368	0.5
150.03105	0.3
151.00284	1.1
152.01047	0.7
153.01866	2.2
161.02373	0.5
163.03903	0.6
167.03426	1.6
173.04410	0.4
174.80963	0.3
178.99812	0.5
179.03418	0.5
181.01419	0.4
190.02707	0.4
191.05583	0.9
193.05070	0.5
206.99258	0.4
212.78217	0.4
255.02927	0.4
267.07178	1.1
268.03781	0.5
269.04553	3.0
270.04932	0.4
285.03983	0.6
335.06131	0.5
577.15918	0.9
578.16223	0.5
623.16461	0.5
648.21362	0.4
667.16827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18385	0.3
59.01247	1.7
60.11960	0.3
60.99177	16.0
65.00189	0.3
70.35220	0.7
70.35629	0.7
71.01248	1.3
72.99182	0.5
75.00770	0.4
77.85139	0.3
85.02834	0.9
87.00737	0.5
88.98676	100.0
89.02323	0.8
89.99023	0.9
93.03329	0.6
93.08858	0.3
95.01328	0.4
96.07599	0.3
96.95889	0.4
101.02341	0.5
107.01263	0.4
108.02068	0.6
109.02837	1.0
113.02335	0.8
117.03409	0.3
123.00776	0.4
123.04385	0.4
125.02309	0.6
135.04381	0.7
137.02325	1.1
139.00249	0.5
149.02368	0.5
150.03105	0.3
151.00284	1.1
152.01047	0.7
153.01866	2.2
161.02373	0.5
163.03903	0.6
167.03426	1.6
173.04410	0.4
174.80963	0.3
178.99812	0.5
179.03418	0.5
181.01419	0.4
190.02707	0.4
191.05583	0.9
193.05070	0.5
206.99258	0.4
212.78217	0.4
255.02927	0.4
267.07178	1.1
268.03781	0.5
269.04553	3.0
270.04932	0.4
285.03983	0.6
335.06131	0.5
577.15918	0.9
578.16223	0.5
623.16461	0.5
648.21362	0.4
667.16827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02842	3.6
59.01238	21.8
60.99167	11.5
65.00175	5.4
65.99743	4.2
71.01239	17.8
71.58425	3.7
72.99184	4.6
73.02799	8.8
78.95692	3.5
83.01254	6.4
85.02813	11.4
87.00751	9.4
88.98676	92.2
93.03315	13.3
95.01260	5.2
99.00759	5.5
101.02312	6.5
107.01286	11.5
108.02046	4.9
109.02841	21.6
110.00024	4.1
111.00769	5.0
113.91680	3.6
117.03280	4.1
118.02914	7.3
120.43142	4.0
121.02834	13.3
123.00729	6.3
123.04427	3.7
124.01584	4.4
125.02349	10.7
133.02853	9.2
134.02354	11.7
135.00842	6.0
135.04407	5.7
137.02399	25.3
139.00179	5.3
139.03865	4.2
147.04457	4.4
148.01569	28.4
149.02390	30.8
151.00272	24.4
151.03822	4.9
152.01044	7.4
161.02312	9.8
162.01891	23.7
163.00253	17.1
163.02609	5.6
163.03929	8.4
164.01088	5.4
164.03398	12.9
165.01862	7.5
165.21361	3.7
166.99786	4.5
174.01746	5.3
175.00253	13.9
175.03935	7.5
176.00996	8.7
177.01840	72.8
178.99782	13.3
186.01881	16.5
190.01303	7.5
191.02106	16.5
191.03633	7.1
191.05547	10.6
193.01321	5.6
199.03983	7.2
202.01343	5.6
202.99837	14.8
204.02979	71.5
205.01395	8.1
205.03296	5.6
211.03893	4.5
214.01425	4.9
216.04062	4.8
227.03429	11.7
230.00853	21.4
233.04510	5.1
239.03394	4.9
243.02911	13.5
254.04700	4.3
255.02934	10.4
258.04468	4.1
266.11258	4.4
267.02975	7.0
269.00751	7.5
269.04330	4.4
271.02405	30.9
272.03052	7.4
284.03229	8.0
285.03973	14.0
286.04120	4.9
288.02728	6.3
293.04526	25.6
294.04068	13.8
295.02325	7.6
297.03870	4.3
299.01886	39.8
299.99445	4.3
300.02692	15.5
301.03452	10.9
312.05255	4.5
313.03360	21.7
316.02200	12.1
317.02927	15.8
322.03461	43.9
324.05069	6.6
339.03833	41.7
340.00897	21.4
340.04568	77.9
357.04666	14.2
358.05695	10.6
413.08618	9.1
471.16217	4.0
475.14639	5.0
489.12402	8.0
501.12448	24.8
530.15088	59.4
531.15527	5.5
556.13031	54.0
557.13678	6.5
577.15527	30.4
581.14624	6.0
607.13312	4.7
625.13867	14.7
648.15674	92.9
649.15985	13.4
666.16553	100.0
667.17175	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	665.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	19.5
69.03332	4.0
69.96877	7.4
71.01250	13.9
73.02817	4.7
75.00774	1.7
82.02860	7.1
83.04900	2.0
84.04460	1.6
85.02827	7.2
86.59566	1.8
87.00752	5.3
89.02328	6.9
93.03339	4.8
94.02859	77.7
95.01256	2.7
95.03210	2.1
96.04430	8.3
96.95894	12.6
99.00780	4.3
101.02319	7.3
103.63029	1.5
103.86806	1.6
105.05713	4.7
107.04891	1.7
108.02040	9.4
108.04450	5.2
109.02839	5.6
110.05994	16.6
111.00799	2.3
113.02339	7.6
119.03427	1.9
119.04936	4.7
120.08079	66.8
121.02835	2.5
121.05240	2.8
121.08432	2.8
122.06019	24.9
123.00822	2.0
123.04429	6.1
124.07563	1.7
125.02310	4.4
129.01711	1.8
133.02840	1.7
133.04991	4.3
134.03612	7.6
135.04419	5.0
136.03896	2.8
137.02336	5.7
137.04753	2.6
138.05505	35.8
141.04044	2.1
144.04434	9.2
145.02890	2.1
149.02345	5.3
149.05989	2.0
150.03152	3.6
150.05478	2.4
151.00339	3.8
151.03891	4.4
152.01047	11.5
153.01862	3.6
160.01559	5.2
160.03981	3.2
161.02222	2.8
161.04674	2.4
162.05568	3.3
163.03961	4.9
164.04590	2.7
164.07043	6.6
165.05420	1.8
166.02487	1.9
167.03426	6.1
168.00540	3.1
173.04549	5.2
174.05542	8.1
175.03951	8.2
177.01801	3.0
179.03351	4.6
188.03445	2.2
190.02673	2.8
191.03410	1.9
191.05540	6.6
193.04965	7.3
195.06621	2.9
203.05783	14.9
204.06461	1.7
205.04987	3.8
211.02437	6.8
215.11876	6.7
217.13298	2.7
223.08731	3.7
236.09492	5.3
237.10262	10.8
245.94733	1.8
249.10281	5.8
249.13849	3.0
250.07387	4.0
250.10986	3.8
251.11852	42.8
252.12546	4.1
253.09749	2.5
255.03004	2.4
261.12384	2.6
262.07367	1.9
263.08270	7.6
263.11755	8.9
264.08942	9.5
265.09781	5.8
265.13409	9.9
267.11530	2.2
268.08551	2.1
269.04575	2.7
273.04160	2.0
275.08267	2.3
276.08978	7.2
277.09802	40.4
277.12637	3.1
278.10522	13.3
279.11395	6.9
280.12167	2.4
281.09296	6.5
281.12714	2.2
282.09991	4.0
283.10950	3.9
284.03192	5.3
285.04028	22.8
285.12454	2.8
286.04410	2.8
291.11362	44.6
292.12164	60.5
293.09515	3.4
293.12885	41.4
294.13342	3.6
295.10907	4.7
296.11597	3.6
297.04065	3.9
298.04623	4.2
301.12131	3.1
303.13394	3.2
309.08939	1.7
311.10565	3.2
313.12039	6.1
319.10693	3.7
323.10294	3.0
324.11298	11.2
325.11856	4.9
326.12155	2.5
335.10416	14.7
336.11142	22.3
337.11813	13.8
343.13174	4.7
344.14151	2.4
346.15607	6.5
347.16211	2.5
358.15585	2.9
359.16495	2.4
360.17181	8.5
362.18726	3.9
372.17218	10.3
373.17767	3.1
374.18893	4.2
386.14771	3.1
388.16501	9.7
389.17294	2.8
390.18088	5.4
399.15192	1.9
400.16687	2.7
402.18207	7.8
403.18726	2.1
406.17538	3.1
414.18079	11.7
415.18924	4.0
418.17902	10.7
432.19400	14.4
433.19687	4.2
436.18826	3.4
446.20947	3.1
447.17792	3.3
450.20230	2.8
458.17258	5.5
459.17819	9.5
460.18726	1.9
464.22342	2.6
469.22653	2.7
476.18304	27.3
477.18881	19.1
478.19626	3.8
485.26175	2.0
490.19962	5.1
499.58954	1.9
508.20859	89.1
509.21094	15.1
511.23251	5.6
529.24695	13.3
555.22235	3.7
571.25439	5.5
573.23566	40.0
574.24121	6.9
587.24951	4.6
589.26654	3.1
597.23395	3.2
605.26117	100.0
606.26501	15.5
615.24603	32.7
616.24890	5.1
621.14252	9.7
633.25641	57.0
634.26019	9.4
647.27252	44.7
648.27686	7.0
663.33795	2.0
665.17426	11.7
665.28156	63.5
666.17542	3.1
666.28394	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	665.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27179	0.1
55.42825	0.1
56.61160	0.1
59.01236	0.5
63.01949	0.1
63.02259	1.8
63.02567	0.1
65.00177	1.2
65.00459	0.1
69.03315	0.1
71.35150	0.2
71.48767	0.1
73.02808	0.1
75.00755	0.1
81.03322	0.1
83.01251	0.9
85.02839	0.2
87.00747	0.1
87.20148	0.1
93.03345	0.3
95.01223	0.2
96.95895	0.4
99.00754	0.1
101.02274	0.1
103.19827	0.1
105.03346	0.5
107.01263	2.6
109.02832	1.4
113.02332	0.3
119.04926	0.2
121.02829	1.1
123.04420	0.4
125.02322	0.2
132.02049	1.5
133.02846	7.7
134.03702	0.6
135.04404	0.3
137.02332	0.2
141.06984	0.1
143.04947	0.2
145.02867	0.1
147.00772	0.1
147.04388	0.3
148.01608	0.1
149.01204	0.2
149.02344	2.5
149.05948	0.2
151.00269	4.7
151.03899	0.2
157.02931	0.1
157.06506	0.2
159.04367	0.2
160.01561	4.0
161.02350	1.2
164.04652	0.3
167.04909	0.1
169.01302	0.2
169.06474	0.3
171.04366	0.6
173.02351	0.1
173.05988	0.2
174.03146	0.3
175.03908	4.7
176.04208	0.2
177.01869	0.7
183.04462	0.1
185.06003	0.8
187.03868	0.3
188.04680	0.1
189.05489	0.5
190.02527	0.2
193.05045	0.1
195.04465	0.2
196.05159	0.1
197.02472	0.1
197.05991	0.5
198.03131	0.4
199.03925	2.6
200.04295	0.2
201.01843	0.9
202.02483	0.1
211.03949	0.5
212.04611	0.2
213.05495	0.9
214.02623	0.2
215.03471	0.5
217.04980	1.6
223.03940	0.2
223.06088	0.4
226.02695	0.1
227.03433	0.3
229.04970	0.5
239.03397	0.4
240.04138	0.4
241.05040	1.0
242.02124	0.2
243.03000	0.8
255.02998	0.3
256.03708	0.4
257.04391	0.5
267.02924	0.4
268.03778	0.2
283.02594	0.2
284.03247	10.1
285.04010	100.0
286.04355	6.0
299.05579	20.6
300.05896	1.6
327.04599	0.1
365.08633	0.7
471.09250	0.3
489.10333	0.6
665.15045	25.2
666.15369	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	665.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15144	0.3
57.91719	0.4
57.92413	0.3
58.49012	0.3
58.58858	0.3
59.01265	2.5
59.91109	0.3
63.02273	1.6
65.00211	1.2
69.03329	0.4
69.58157	0.8
69.58571	1.8
75.00784	0.4
83.01261	1.2
85.02831	0.9
87.00758	0.5
89.02328	0.8
93.03352	0.7
96.95871	1.9
105.03310	0.3
107.01266	2.3
109.02834	1.5
111.00780	0.4
113.02287	0.8
116.00562	0.3
119.04920	0.5
121.02868	1.1
123.04420	0.3
125.02327	0.6
131.63568	0.4
132.02051	0.6
133.02838	5.6
134.03584	1.3
135.04422	0.6
137.02321	0.4
149.02325	2.0
149.06032	0.3
151.00272	5.0
153.01820	0.5
160.01439	0.4
163.03856	0.3
165.05458	1.3
165.48146	0.4
169.01259	0.7
171.04428	0.5
173.04483	0.4
174.03128	0.5
175.00220	0.4
175.03900	2.6
177.01819	0.5
183.04408	0.5
185.06004	0.7
190.02579	0.5
191.05641	0.4
193.05034	0.5
198.03049	0.5
199.03967	2.3
200.04723	0.4
201.01863	1.0
211.03915	0.9
212.04668	0.6
213.05536	0.4
215.03409	0.6
217.04990	1.1
227.03401	1.2
228.04050	0.5
229.05035	0.4
239.03418	0.6
241.05019	0.8
243.03043	0.8
255.02917	1.2
256.03726	3.1
257.04523	0.5
267.07150	0.6
269.04559	2.5
283.02524	1.0
284.03250	61.1
285.04016	100.0
286.04385	5.9
309.03903	0.6
356.67624	0.4
447.09009	0.5
471.09091	0.6
489.10287	4.0
490.11066	0.4
517.19055	0.6
579.13702	1.9
579.21582	0.4
621.14551	97.0
622.14862	12.6
665.25708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.5
59.00992	1.0
59.01254	13.0
67.72747	0.8
68.99689	1.6
69.03341	1.4
69.63158	6.0
71.01252	5.1
72.99199	1.5
73.02814	1.8
75.00759	0.9
81.03326	1.5
83.01252	3.1
83.04897	1.2
85.02807	4.5
87.00734	1.6
89.02322	2.2
93.03320	2.0
94.02848	2.7
95.01255	1.6
95.04887	1.6
96.95902	6.7
97.02832	1.0
98.02340	3.9
99.00765	1.1
101.02348	4.6
106.06522	1.4
108.02059	1.8
108.04440	2.8
109.02861	2.2
110.02353	10.2
110.06002	6.0
111.04414	12.9
113.02325	4.0
119.04921	2.2
120.08079	11.6
121.02854	1.1
121.05233	1.0
122.06015	9.9
123.00802	0.8
123.04427	2.0
124.03919	1.4
125.02338	4.0
130.06567	1.2
133.02779	1.2
134.03600	2.0
134.06010	1.2
135.04439	1.7
136.03975	4.8
137.02303	1.7
137.75677	1.0
138.05490	3.1
144.04445	2.7
145.02835	0.9
145.07568	0.9
146.05966	1.2
147.05533	2.1
149.02353	1.9
150.05501	6.1
151.00293	2.1
151.02618	0.9
151.03838	1.2
152.01056	1.7
152.03436	10.1
152.07037	1.2
153.01898	1.9
153.04155	1.0
154.04987	3.2
160.01599	1.4
160.03928	1.3
161.03456	1.9
161.04648	2.6
162.05511	2.7
163.03902	1.5
164.04721	2.0
165.01891	1.9
165.05489	1.2
168.00540	1.0
168.06572	3.7
173.04613	2.2
174.01639	1.0
174.05513	10.2
175.03839	2.1
175.05138	1.2
177.01843	1.1
179.03555	0.9
179.05472	1.6
188.07095	1.0
190.02594	1.9
193.05028	2.0
195.06595	2.0
201.10199	10.3
203.05708	4.2
205.05016	2.0
211.08766	0.9
213.10304	4.1
223.06123	1.9
226.11160	1.5
227.11771	6.0
229.09865	12.2
229.13358	4.5
230.11830	1.0
236.09546	1.0
237.10307	3.0
239.11868	2.6
240.09038	0.9
241.09831	2.0
242.10321	1.0
246.09444	1.1
249.06010	0.9
251.11800	1.5
253.13548	1.0
255.11464	7.7
257.09158	1.9
257.13058	5.3
263.07962	1.1
265.09702	1.2
267.07373	1.8
267.11392	1.6
269.04623	1.2
271.10791	1.7
273.12415	5.4
277.09860	2.1
279.08279	1.1
279.11389	3.5
281.09192	2.1
282.09946	2.7
283.10812	4.3
285.04163	1.2
287.10205	1.3
291.11377	1.8
293.09702	1.2
293.12991	3.5
295.10995	1.2
301.03540	2.1
301.08600	1.8
301.11911	30.4
302.12305	2.2
309.12335	1.1
311.10413	8.0
312.10995	3.0
313.11896	4.4
317.11517	1.7
319.13007	44.6
320.13632	3.0
325.11978	2.3
327.13931	1.2
328.10849	1.2
330.12457	1.4
331.06647	3.7
335.12482	1.3
342.12335	1.5
343.13083	5.8
344.14026	1.7
346.15573	2.7
355.12036	2.7
356.14264	0.9
358.15762	1.9
360.17145	1.0
370.11612	1.3
372.13370	1.6
376.16595	3.4
384.17093	1.5
386.15106	8.1
387.15710	2.8
388.16965	2.0
396.13394	1.7
400.12582	2.1
400.17059	2.0
404.16010	2.5
405.16974	1.1
406.17776	1.2
412.16788	2.1
414.14609	9.5
415.15207	1.3
419.14499	1.9
428.16104	4.4
429.16730	3.4
432.15591	3.5
434.20856	1.4
437.16196	1.6
444.15573	1.3
446.17136	4.1
447.17764	1.5
453.16931	1.1
477.19693	1.7
525.24792	1.2
527.22943	5.2
539.23083	1.4
545.24036	11.2
546.24103	1.7
551.23102	2.3
552.23590	1.0
557.23907	1.4
569.24084	14.7
570.24164	3.0
572.23486	1.3
587.25159	22.2
588.25592	3.5
589.22998	2.2
590.23700	2.5
591.24011	1.2
601.25891	1.4
613.22955	6.0
619.27020	1.0
631.24152	23.0
632.24176	3.8
645.25269	5.6
663.26740	100.0
664.27075	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	663.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69016	0.8
55.88708	0.9
57.03333	1.3
59.01248	15.5
61.98691	1.2
62.09356	0.9
65.00172	0.9
67.01785	1.2
69.03310	1.1
69.38898	4.5
69.39330	3.8
71.01252	8.3
72.99191	1.4
73.02802	2.5
75.00741	2.5
81.03311	1.2
83.01242	2.5
83.04885	1.6
85.02821	4.4
87.00765	2.3
89.02303	3.4
93.03345	1.9
94.02847	3.9
95.01266	1.8
95.04894	1.6
96.95888	9.0
97.02844	1.0
98.02368	4.5
98.02972	0.8
98.95477	1.3
99.00768	1.3
99.04356	1.2
101.02319	3.0
106.06490	2.1
107.01286	1.3
107.04926	1.0
108.02044	1.1
108.04407	2.2
109.02806	2.8
110.02363	10.3
110.05980	7.5
111.04406	11.8
111.52011	0.9
113.02354	5.1
115.00294	1.2
119.04897	2.2
120.08070	10.2
121.02782	1.7
122.05991	10.3
123.04415	1.0
124.03915	1.7
125.02322	3.9
130.06482	1.1
133.02838	1.5
133.06461	1.9
134.03613	1.9
135.04422	2.2
136.03935	6.5
136.07549	2.4
137.02345	2.4
137.04643	1.0
138.05504	3.7
144.04451	1.5
145.02907	2.0
146.06038	1.7
147.05531	1.7
149.02322	2.5
150.03047	1.3
150.05496	9.6
151.00322	4.9
151.01353	1.0
151.02682	1.7
152.01068	1.9
152.03442	9.1
153.01802	2.6
153.04079	1.6
154.04962	2.7
160.01544	1.7
160.03996	1.1
161.02234	1.0
161.04550	3.0
162.05576	1.9
163.03894	2.9
164.04755	2.1
165.01799	1.5
165.05432	0.9
168.00476	1.0
168.06499	2.6
173.04619	3.0
174.05518	9.2
174.09273	0.9
175.02556	1.2
175.03831	1.7
175.05116	1.7
179.03400	1.1
180.04037	1.2
186.12828	1.0
188.07091	1.3
189.04213	1.2
190.02605	3.0
191.05470	1.7
193.04939	2.8
195.06503	2.1
201.10146	6.7
202.12369	0.8
203.05838	4.5
205.04993	3.4
213.10280	4.1
223.06107	2.7
225.10126	1.2
227.11731	4.4
229.09784	13.4
229.13184	4.4
230.11824	1.7
237.10281	3.6
239.08086	1.3
239.11873	3.2
241.09827	2.7
242.10829	1.1
243.08540	1.3
243.11058	1.3
249.06181	1.4
251.11807	2.9
253.09756	1.5
255.11382	7.6
257.09189	2.4
257.12976	5.8
264.08981	1.6
265.09650	1.3
267.07596	1.5
267.11435	1.7
269.04535	1.2
273.12460	8.8
275.14020	1.4
277.09772	1.6
278.10400	1.7
279.11411	4.0
281.09363	2.3
282.10043	1.8
283.11023	4.8
285.03937	1.1
291.11383	1.4
293.09149	1.7
293.13025	3.2
299.10361	1.2
301.03381	2.7
301.11899	31.5
302.12268	3.6
309.12439	2.6
311.10385	7.1
312.11060	4.2
313.11847	4.9
317.11414	3.3
319.12967	45.4
320.13422	3.3
325.11789	1.6
327.13745	1.2
329.11847	1.2
330.12338	1.3
331.06400	4.6
335.12463	13.4
336.12799	1.0
343.13007	7.4
345.15018	1.1
346.15582	1.9
355.12085	6.8
358.15680	1.4
359.12766	1.2
360.17093	1.8
370.11685	1.5
372.13345	1.3
373.13922	1.5
376.16550	3.2
383.11942	1.7
386.15128	9.0
387.15665	3.0
388.16565	2.4
399.05740	1.2
400.12524	1.8
400.17102	2.0
401.17233	1.2
404.16214	3.7
406.17807	1.4
412.16962	1.6
414.14511	10.1
415.15308	1.6
419.14532	1.6
428.16107	5.8
429.16937	4.2
432.15463	2.7
434.21042	1.4
446.17227	4.3
447.17691	3.1
464.18192	1.0
477.19519	1.2
508.17526	1.5
510.21881	1.0
515.22028	1.2
519.26178	1.6
525.24127	1.5
527.23077	5.7
540.20050	1.5
543.26001	2.1
545.24139	12.2
546.24316	1.6
551.22992	2.5
557.23370	1.4
569.23950	15.3
570.24316	3.0
587.25049	22.2
588.25317	4.3
589.23267	2.2
590.23956	2.1
591.25702	1.0
601.26251	1.2
613.22693	7.3
619.27344	1.9
631.23993	23.8
632.24371	3.9
633.25616	1.2
637.77527	1.0
645.25482	8.6
663.26691	100.0
664.27081	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	663.267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43048	1.0
52.18591	1.1
54.26601	1.1
59.01244	10.3
59.97903	1.2
68.70730	1.3
69.03310	2.4
71.01240	4.0
71.36555	3.2
73.02811	1.9
81.03343	1.2
83.01244	2.5
83.04888	1.1
85.02800	1.4
87.00717	1.4
88.66530	1.2
89.02306	1.8
89.03812	1.2
93.03329	2.7
94.02831	1.6
95.01312	1.4
96.95860	2.4
97.02850	1.5
98.02349	4.5
99.00748	2.1
101.02299	2.0
108.04415	1.7
109.02774	1.3
110.02371	12.5
110.05985	6.4
111.04392	15.6
113.02334	2.2
117.03365	2.1
119.40245	1.3
120.08086	8.9
121.02879	1.3
122.05994	8.5
124.03919	1.8
125.02304	4.2
130.06465	1.7
132.02039	1.6
134.02631	2.3
134.03625	35.5
134.05965	1.5
135.04359	2.8
136.03935	5.5
137.02397	2.8
137.04709	1.7
138.05481	3.8
141.04036	1.8
144.04445	1.9
147.05449	1.1
149.05988	2.6
150.05473	4.7
151.02745	2.1
151.03903	6.8
152.03404	8.4
154.04999	4.2
160.01546	3.2
160.04031	1.3
161.02328	1.8
161.04619	1.9
162.05470	1.4
168.00610	1.4
168.06577	5.1
173.04669	1.5
174.05499	8.8
175.03809	5.9
175.05135	1.4
179.03250	2.2
182.15547	1.3
188.03499	1.5
188.07025	1.6
190.02716	1.2
193.04979	44.8
194.05312	2.4
201.10202	8.3
203.05775	4.7
205.05031	2.0
205.76111	1.0
213.10258	4.2
223.06042	1.4
227.11786	5.2
229.09834	11.0
229.13387	3.8
237.10217	4.0
239.11938	1.8
241.09740	1.8
242.10654	1.8
251.11934	3.1
253.05148	1.8
253.09737	1.2
253.99643	1.1
255.11388	8.5
257.09183	2.0
257.12915	5.2
267.11395	2.7
273.12372	7.3
277.07147	1.3
279.11292	2.9
281.09369	1.8
282.10046	2.0
283.10757	4.8
287.10318	1.5
291.11273	1.5
293.13028	3.7
293.44406	1.5
301.11865	30.4
302.12277	1.6
311.10281	7.7
312.11069	2.1
313.11887	4.1
319.12955	48.2
320.13394	5.4
325.11951	2.6
329.11356	1.8
330.12897	1.4
343.13144	9.2
344.13766	1.9
353.10199	4.3
354.10556	4.8
355.10721	6.7
360.17450	1.5
370.15594	1.8
371.12650	1.8
372.13339	1.5
376.16779	2.6
386.15082	8.3
387.15826	2.3
388.16714	3.3
396.13422	1.5
402.18637	1.3
404.16055	5.8
412.16763	2.2
414.14462	10.7
415.14661	1.4
419.14590	2.8
428.16010	4.7
429.16470	2.9
432.15311	5.6
437.15417	2.3
446.17090	4.8
447.17957	2.0
509.22040	1.2
513.74652	1.2
527.22894	5.2
528.23682	1.8
545.23859	14.3
546.24939	2.1
551.22882	2.6
563.25433	1.8
569.24091	12.5
587.25000	25.5
588.25616	2.8
589.22876	2.0
590.23560	2.0
613.23108	5.3
619.19006	1.3
619.28088	1.7
623.57910	1.2
631.24017	21.7
632.24579	3.6
645.26093	6.0
663.26666	100.0
664.27106	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	663.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36627	1.1
56.76612	1.2
57.03316	2.7
59.01244	5.5
69.03317	3.4
71.01245	10.5
73.02811	9.5
76.25273	1.4
83.01270	2.2
85.02820	26.1
87.00745	100.0
88.01126	1.4
93.03313	1.3
95.01246	4.3
97.02821	20.4
103.03889	11.9
113.02323	8.6
115.00239	8.7
122.65716	1.4
125.02308	1.2
128.03397	1.4
135.80379	1.5
157.01297	7.2
173.04472	2.0
175.02385	63.3
176.02736	1.6
180.16754	1.2
191.05487	5.1
217.03481	19.2
277.08389	1.6
298.67651	1.2
303.07208	36.4
321.08258	21.8
321.11908	2.1
322.08380	1.7
330.42734	1.3
517.73157	1.4
559.97992	1.4
628.42865	1.4
663.20227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1567
Annotation	Apigenin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
58.52209	1.2
59.01247	2.8
63.02258	1.4
76.00578	1.1
84.94810	1.1
96.95927	2.3
98.20538	3.4
107.01256	1.3
117.03351	5.0
149.02316	1.9
159.04393	1.9
160.01498	1.2
161.02396	1.8
175.78235	1.3
204.22992	1.3
225.05608	1.2
236.10657	1.4
240.04189	1.9
261.02667	1.2
268.03748	22.5
269.04547	100.0
270.04892	8.4
392.91605	1.4
441.28177	1.4
525.23480	1.3
532.32404	1.3
577.15430	3.8
619.16663	68.2
620.16699	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	663.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89678	0.8
56.93121	0.9
57.03312	1.8
59.01249	20.6
60.99188	0.9
61.34305	0.8
61.98707	2.6
67.34109	0.8
69.03329	1.8
71.01248	11.7
72.99166	1.2
73.02821	3.2
75.00723	2.1
78.95763	1.9
83.01257	3.1
83.04932	1.0
85.02818	6.0
87.00738	2.3
89.02319	3.7
89.03824	1.2
93.03323	4.3
94.02916	0.9
95.01249	2.6
96.95883	6.0
97.02835	2.3
99.00762	2.6
101.02320	5.4
108.02058	2.0
109.02842	3.3
111.04404	1.8
111.44410	1.0
113.02322	6.1
117.03342	4.0
118.03650	0.9
119.03384	1.3
119.04911	1.9
120.08049	1.1
120.44226	1.2
121.02827	2.5
122.03585	1.2
122.06026	1.1
123.04414	1.9
123.08038	0.9
125.02313	2.9
127.03886	1.3
132.02040	1.8
133.02791	1.6
134.03625	73.4
135.04211	3.5
137.02336	7.3
139.00243	1.0
141.04019	1.7
149.02309	3.4
149.05965	7.5
150.03094	1.5
151.00282	2.8
151.03899	2.1
152.01021	1.8
153.01840	2.5
160.01550	10.2
160.03751	1.0
161.02359	2.0
161.04478	2.8
163.03912	1.8
164.04648	1.9
165.01756	1.2
165.05496	2.6
167.03438	1.1
175.00269	1.4
175.03908	10.8
177.01756	0.9
177.05489	1.1
178.02638	2.0
179.03400	1.4
185.00751	0.9
190.02600	3.9
191.05554	2.6
193.04987	100.0
194.05446	4.7
205.05008	4.7
222.33131	1.0
223.06129	3.0
229.09776	1.2
229.69225	1.2
255.11398	1.4
269.10229	1.8
283.10645	2.6
285.04214	2.1
287.05725	1.3
301.11926	2.9
319.12985	3.8
377.16864	1.0
409.40582	1.1
499.32892	1.3
545.23541	1.3
566.20490	1.1
569.23700	3.5
587.24811	2.5
613.23157	1.2
619.20300	1.8
631.24573	2.0
645.25439	2.0
663.25989	7.0
664.27692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	14.6
61.98720	1.5
70.05104	0.6
71.01260	2.6
71.57581	0.7
73.02811	0.7
89.02321	1.8
101.02315	1.4
113.02345	0.8
125.02338	0.7
127.11152	1.2
153.09094	1.0
161.04520	1.0
163.81477	0.6
171.10172	100.0
172.10509	4.8
183.13815	5.1
191.05461	0.9
193.12234	1.3
209.11670	0.7
211.13329	82.7
212.13634	4.2
228.18820	0.6
235.08218	3.9
253.09204	5.9
282.85501	0.7
285.04218	0.7
293.77875	0.6
407.19095	4.8
407.36722	0.7
429.21271	1.4
447.22278	4.2
539.11060	0.7
583.31464	0.7
601.32172	0.8
661.34711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.5
57.03319	1.4
58.00458	2.0
59.01247	51.5
68.08688	0.5
68.99663	0.8
69.03333	2.8
70.25552	0.6
71.01247	44.5
72.99176	4.6
73.02816	6.5
75.00738	1.6
81.03319	2.3
83.01262	5.2
83.04916	0.9
85.02814	10.6
87.00752	11.6
89.02309	38.1
91.03867	1.0
95.01255	3.4
97.02821	8.0
97.06457	0.6
98.20580	1.1
99.00739	2.6
99.04372	1.1
101.02316	39.4
105.76682	0.6
106.23141	0.6
109.02826	1.2
111.00768	0.8
111.04394	1.5
113.02319	17.9
115.03908	1.1
119.03367	12.2
125.02330	14.3
127.03915	0.8
131.03386	1.8
133.04901	1.7
137.02316	0.8
139.03874	1.5
141.01804	1.1
143.03384	10.4
149.04410	1.5
161.04456	8.6
167.03458	0.9
169.04967	0.7
171.10217	0.6
179.05522	8.2
180.05527	0.7
185.04456	0.9
217.07074	1.7
221.06613	3.4
229.41516	0.7
235.08185	15.8
236.08649	0.7
245.06468	0.7
253.09196	5.0
263.07654	1.7
263.20132	100.0
264.20447	5.8
265.96054	0.6
277.09152	0.9
287.07721	3.7
305.08603	3.9
323.09686	2.1
364.94220	0.6
379.12485	1.3
397.13464	83.2
398.13702	5.9
415.14532	38.2
416.14877	2.3
627.69403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45863	0.2
55.75618	0.2
59.01245	0.6
59.82381	0.3
65.57366	0.2
67.36118	0.2
71.58377	0.4
73.02797	0.3
74.52702	0.2
79.95602	2.9
85.02833	0.5
91.48550	0.2
93.03316	0.6
96.95884	100.0
97.95852	0.4
108.02055	0.7
109.02843	0.9
113.02346	0.3
119.04889	0.3
121.02821	0.4
123.00815	0.3
125.02289	0.4
135.04359	0.8
136.94363	0.2
137.02405	0.5
149.02309	0.3
151.00230	0.3
152.01053	0.8
153.01837	0.9
163.03734	0.3
173.04468	0.6
174.85515	0.2
175.57077	0.2
177.01862	0.3
179.03539	0.3
182.21227	0.2
191.05559	1.0
315.07190	1.0
327.08826	0.3
339.07327	0.3
383.06348	0.3
429.77570	0.3
527.30481	0.2
563.14331	0.7
661.18433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.9
61.98694	2.3
71.01250	3.8
83.01231	1.6
89.02313	2.0
96.95885	6.9
98.19806	2.5
99.38815	1.8
106.06487	2.3
107.03660	3.0
109.02879	1.6
110.05985	7.0
120.04449	2.1
120.38871	1.9
122.06004	40.7
134.06064	8.2
135.04391	1.8
136.07549	2.8
137.02336	1.9
144.04456	2.3
146.05994	1.7
160.06310	6.0
161.04630	2.2
162.05455	3.1
174.05489	10.3
180.06528	5.5
186.05537	2.1
188.07092	3.7
198.50818	1.5
203.05769	4.5
203.11896	2.3
205.05099	1.8
213.10222	24.9
215.11786	2.4
223.06247	2.0
225.10191	4.3
226.10999	2.4
236.09521	2.3
237.10294	4.4
238.07526	1.7
239.11836	28.6
240.12305	2.2
241.13412	18.8
249.10394	1.6
250.11060	1.6
251.08220	2.1
251.11873	6.4
255.11360	2.0
263.11887	3.5
264.08960	11.8
265.09766	8.2
267.11298	5.9
273.12442	1.5
276.09070	4.1
277.09781	5.9
278.07236	1.8
278.10446	4.3
279.07806	5.0
279.11349	17.5
280.12033	3.8
281.09338	2.1
281.12778	3.5
283.10815	5.1
285.09198	3.9
285.12415	68.2
286.12686	4.3
291.07758	4.3
291.11365	13.8
292.08533	14.2
292.11664	2.9
293.09219	12.5
293.12967	5.5
301.11801	4.2
305.09406	2.9
306.10025	7.4
307.07489	3.0
307.10840	49.0
308.11533	16.1
309.12189	3.6
311.10382	5.9
314.12906	1.7
316.32220	2.2
323.10126	1.9
328.10837	2.0
330.15991	1.9
340.10562	6.4
341.11523	2.8
343.13141	2.8
344.17596	3.0
350.09082	10.2
351.09805	40.8
352.10400	6.6
353.15024	1.7
355.13358	2.2
356.13788	6.8
357.14551	1.8
365.11240	4.2
368.17715	3.1
369.14502	3.2
370.15591	11.9
370.59235	2.0
371.16324	2.2
372.16946	5.2
377.22220	1.7
383.12543	2.6
384.13235	3.2
384.17651	1.8
398.14990	18.3
399.15350	3.7
403.15179	2.5
412.16635	11.8
413.12021	2.6
413.17206	12.7
430.17700	11.4
432.15472	2.1
433.15817	2.6
444.19482	1.9
447.17838	3.8
448.18732	7.4
457.16409	4.4
462.20273	4.0
474.16599	6.2
485.26035	2.2
488.17932	2.2
491.16998	3.6
492.17545	15.0
493.22418	4.9
506.19299	34.1
507.19653	4.3
511.23474	9.0
520.20734	2.3
523.23920	2.1
524.20349	6.7
535.23444	18.7
536.23743	3.0
538.21936	57.8
539.22266	8.8
553.24512	64.2
553.33032	3.5
554.24786	10.4
556.23456	2.3
579.22302	4.9
585.26971	6.3
597.23572	54.2
598.24127	10.2
599.25061	2.4
611.24982	5.7
617.38531	2.0
629.26135	100.0
630.26062	14.3
661.28693	36.4
661.39374	2.3
662.29132	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	659.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05773	3.0
57.40780	2.9
58.58829	2.5
59.01251	6.3
60.20375	3.0
61.98702	7.5
63.18265	2.6
66.39731	2.9
69.46679	23.6
71.01257	11.0
73.02837	3.0
78.95777	25.9
78.98460	7.8
79.95618	9.5
80.96384	77.3
87.00742	5.2
89.02287	3.2
94.97948	19.1
106.97979	3.7
111.07928	3.0
122.97503	4.9
125.02327	6.3
145.92888	3.3
148.99040	6.8
152.98453	6.0
152.99538	8.8
153.99722	3.6
161.32620	2.7
164.97258	2.6
164.98524	11.1
169.12259	3.8
171.00525	4.7
176.58522	2.7
206.99698	3.8
209.11737	3.7
211.13365	6.1
225.00667	19.7
227.12825	3.3
277.21631	4.3
280.47430	2.9
299.04462	18.1
317.11450	3.2
577.26849	100.0
578.27350	14.2
623.34406	5.5
659.34558	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	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36757	0.6
59.01250	100.0
61.98716	1.0
63.93167	0.7
64.73763	0.6
71.57826	1.0
76.31876	0.7
78.95771	4.3
82.22519	0.7
87.54604	0.7
102.56940	0.7
130.09962	0.7
152.99548	2.0
158.66641	0.6
265.21384	0.6
279.23428	2.0
413.75150	0.7
509.13077	0.7
535.65875	0.8
549.84308	0.7
641.34882	1.0
659.37531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79816	0.7
59.01244	1.5
61.98693	2.8
63.96120	1.6
71.01250	7.7
71.57914	1.2
72.85720	0.9
73.02822	1.4
77.85261	0.9
78.95780	7.3
78.98464	5.8
79.95602	9.2
80.96390	58.4
81.03327	1.4
83.01243	1.0
85.02823	2.2
86.79676	0.8
87.00754	1.6
87.28596	0.8
94.97962	12.1
96.95918	1.7
97.02801	1.9
101.02323	2.3
106.97970	2.8
113.02302	0.8
122.97474	3.3
125.02335	3.5
127.03813	0.9
134.97472	4.4
136.99010	1.5
148.99054	5.1
152.98384	4.1
152.99501	3.4
164.98557	10.7
171.00563	1.7
171.10226	0.9
206.99562	2.1
209.11737	2.0
211.13295	2.5
225.00702	17.3
225.02840	0.6
237.69028	0.8
277.21729	2.1
299.04401	13.2
300.04910	1.1
381.03433	2.5
577.26849	100.0
578.27222	15.6
599.24396	1.3
659.24872	1.2
659.34808	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	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00439	0.3
59.01243	4.1
65.07791	0.2
65.38852	0.2
69.03316	0.6
71.01255	2.8
73.02803	0.7
75.00729	0.3
80.02540	0.8
81.03315	0.8
83.01245	0.5
83.04889	4.4
84.02035	0.6
85.02821	1.1
87.00755	0.5
89.02312	2.3
95.04890	0.8
97.02868	0.3
97.06419	0.2
97.26302	0.2
98.20547	0.6
101.02316	2.9
104.20592	0.2
109.06420	0.3
110.91840	0.2
111.08017	0.3
113.02322	1.8
119.03382	0.4
125.02297	0.4
125.05955	0.5
132.30559	0.3
135.08038	0.6
143.03336	0.5
145.04980	0.5
147.11676	0.4
161.04457	1.0
163.11195	3.0
163.69135	0.3
165.12755	2.8
167.14279	0.8
171.10147	2.2
172.10521	0.4
179.05479	0.4
181.12306	0.5
183.13817	6.8
183.15349	0.5
184.14024	0.5
191.10744	0.9
193.12271	1.6
199.13414	0.5
206.72203	0.3
207.10249	0.2
209.11760	91.1
210.12086	5.6
211.13322	100.0
212.13644	6.0
227.12830	14.2
227.15131	0.4
228.13112	0.5
235.08197	3.6
247.13225	0.3
249.14943	1.8
253.09247	9.8
254.09602	0.3
385.23785	0.6
403.24582	0.8
421.25677	0.7
429.21057	0.4
445.20682	1.0
447.22330	3.1
448.22748	0.3
621.32800	1.0
639.33667	0.8
657.33698	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25153	0.6
59.62887	0.6
65.26216	0.8
69.74956	4.7
69.75272	1.0
71.01240	2.8
73.02800	1.1
82.86941	0.9
85.02836	2.1
95.01257	1.5
108.02042	83.9
109.02845	27.2
113.02348	1.6
120.29293	0.7
123.00745	1.6
123.04366	1.2
135.57146	0.8
151.03905	1.5
152.01045	67.0
153.01840	21.8
163.03946	1.0
165.01817	1.3
165.44028	0.8
177.58638	0.7
193.86916	0.7
315.07181	100.0
316.07379	6.1
324.92038	0.8
359.14410	0.8
380.36374	0.8
526.66034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.3
59.01253	2.4
61.98709	0.4
63.02280	0.6
65.00211	0.9
69.03326	0.4
70.61646	0.5
70.62020	0.4
71.01247	1.4
80.02536	0.3
82.02879	0.2
83.01257	0.6
83.04903	1.6
84.02039	0.3
85.02814	0.5
87.00726	0.3
89.02319	1.2
93.03347	0.5
95.01257	0.3
95.04900	0.4
96.95892	3.6
96.96845	0.3
97.02843	0.2
101.02335	1.5
105.03333	0.6
107.01275	2.2
108.02088	0.3
109.02831	1.3
113.02311	0.6
121.02840	0.4
125.02330	0.6
125.05939	0.2
133.02847	4.5
134.03630	0.6
135.04430	0.3
135.08057	0.3
136.05202	0.3
137.02356	0.7
143.03323	0.2
144.39172	0.2
149.02322	1.9
151.00288	3.2
161.04428	0.4
162.25014	0.2
163.11221	1.2
165.12752	0.9
166.38768	0.2
167.14378	0.4
171.04379	0.3
171.10201	0.9
175.03917	2.3
177.01823	0.5
183.13832	2.7
185.05981	0.4
191.10645	0.3
193.05031	0.4
193.12201	0.5
199.03952	2.1
201.01904	0.5
205.04958	0.2
209.11772	31.6
210.12094	1.9
211.03964	0.4
211.13347	26.7
212.13678	0.7
213.05540	0.6
215.03442	0.5
217.05040	1.1
223.03969	0.4
225.11302	0.4
227.12836	5.3
228.13145	0.3
229.04967	0.4
229.14519	0.3
233.15572	0.3
235.08202	0.9
239.03485	0.4
241.04977	0.7
243.02979	0.5
249.14964	0.9
253.09325	3.1
256.03738	0.8
257.04486	0.5
269.04385	0.2
283.02454	0.3
284.03259	8.5
285.04037	100.0
286.04391	6.9
297.03943	0.3
299.10281	0.9
327.05096	0.4
385.23801	0.4
403.24823	0.5
439.94647	0.2
447.09109	0.3
447.22284	0.7
581.24023	0.9
613.22864	0.9
614.23547	0.2
621.32898	0.4
639.20801	2.8
639.33698	1.1
640.21301	0.4
657.21893	26.4
658.22241	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	657.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81505	7.9
59.01251	70.9
65.00195	16.4
67.01758	7.5
69.03310	14.7
70.94950	9.9
71.01237	21.1
73.88319	8.7
75.00757	11.6
81.03278	8.9
83.01260	12.7
85.02812	18.3
87.00746	24.3
93.03341	29.1
95.01286	21.0
95.98162	10.0
99.00774	26.8
100.46667	9.8
101.02334	14.7
105.14320	8.5
107.01266	22.8
108.02083	9.0
109.02827	47.6
111.00788	28.0
113.02338	10.0
117.03342	9.7
121.02841	16.4
123.00748	18.5
125.02357	24.9
127.00258	12.2
129.41814	8.0
133.02869	10.8
134.03693	10.4
135.00751	9.7
137.02328	36.2
139.00258	41.0
141.01828	12.0
141.04120	10.0
145.02899	16.8
147.04462	16.6
148.01581	12.5
149.02359	19.1
151.00252	49.3
152.00999	17.4
153.01744	17.2
154.99721	40.2
155.03389	11.4
159.04410	20.9
161.02379	21.8
163.00328	22.1
163.03886	12.3
164.98264	10.4
165.01799	51.8
165.05504	11.5
166.99767	31.6
169.01347	19.1
173.04463	11.7
175.00298	9.6
175.03889	14.9
177.01833	32.9
177.05376	8.9
178.99773	51.9
179.03391	11.4
180.04160	22.3
181.01340	40.3
187.03857	17.9
189.01857	19.4
190.02496	9.6
191.03555	14.1
191.05539	37.4
192.00552	10.7
193.01349	12.3
193.05058	8.8
194.99368	15.5
195.02972	9.4
195.06471	43.3
199.03865	15.3
203.03406	26.9
205.01399	11.4
207.99890	9.0
209.08116	12.4
210.05243	16.5
211.07626	17.4
215.03426	23.4
225.07643	56.3
230.02155	14.8
231.02931	35.2
233.04308	9.4
242.02113	11.5
243.02875	14.4
247.02469	12.6
258.01593	9.3
259.02460	49.2
269.04556	27.5
271.02527	24.7
272.03085	9.7
273.04251	9.1
275.01895	20.9
285.03989	9.3
287.01984	100.0
299.02069	18.2
300.02728	25.0
301.03448	37.1
303.01273	41.6
303.56882	8.8
304.02020	13.8
312.99939	17.4
315.01459	80.2
316.02020	19.6
317.03015	12.0
331.00891	78.0
333.02536	11.8
349.01959	11.7
489.12384	15.1
501.12347	18.4
503.13544	15.6
521.11633	34.3
577.15900	11.3
583.13135	14.4
585.14722	24.8
609.14075	10.9
613.13440	11.2
614.14752	10.4
624.13019	21.0
639.13385	17.5
657.12317	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01257	2.7
61.98704	100.0
65.00195	1.3
68.90997	0.2
69.03326	0.6
71.01264	1.9
72.99184	0.4
73.02827	0.4
75.00760	0.3
78.78278	0.2
78.95773	0.3
83.01259	1.1
85.02843	1.2
87.00735	0.6
89.02343	0.7
93.03325	1.4
96.95905	0.5
99.00771	0.6
101.02342	0.9
102.87121	0.2
107.01288	1.7
108.02105	0.7
109.02859	1.0
113.02361	0.8
117.03390	0.3
118.74895	0.2
119.03487	0.3
119.04927	0.7
121.02863	0.5
123.00797	0.5
123.04462	0.4
125.02323	2.2
126.02637	0.4
133.02872	0.8
134.03737	1.1
135.04433	5.0
136.04745	1.2
137.02353	1.1
139.00389	0.3
143.03468	0.3
145.02928	0.3
147.04483	0.3
149.02361	1.3
150.03091	0.7
150.06778	0.2
151.00287	7.1
151.04068	0.2
152.00671	1.9
153.01849	0.9
159.02919	0.2
159.04419	0.3
160.01660	0.5
161.02371	1.3
162.02701	0.4
163.03943	0.8
164.04695	1.7
165.01875	0.3
167.03412	0.3
169.01390	0.2
175.00317	1.0
175.03961	1.0
177.01897	0.3
179.03404	0.4
181.05106	0.3
190.02670	3.4
191.03195	0.4
191.05540	0.3
193.05064	0.6
205.05031	3.2
206.05457	0.6
209.11859	0.8
211.13370	0.5
223.06110	1.8
227.12918	0.4
241.10652	0.2
244.07088	0.3
255.02963	1.3
256.03430	1.0
267.07196	0.2
283.02533	1.0
284.03076	2.0
285.04025	4.9
286.04367	2.9
287.05594	2.4
288.05893	2.0
299.05743	0.4
300.06049	0.5
317.06873	0.3
335.55624	0.2
359.27969	0.3
367.10416	0.4
368.10767	0.5
446.08627	1.1
447.08981	1.5
448.09702	0.5
449.11041	0.3
450.11261	0.3
504.15985	0.3
593.26044	3.2
594.26685	0.4
656.16333	3.2
656.26031	0.3
657.25916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51583	1.1
59.01257	1.4
69.32777	1.0
71.57668	1.5
71.58054	1.8
78.95764	4.2
79.95554	1.2
80.96373	2.7
115.91962	2.1
116.92735	2.9
117.92741	1.3
152.99443	1.9
179.71446	1.3
199.35605	1.2
211.13414	1.4
225.11137	1.2
373.09427	1.7
489.07516	1.4
555.28461	2.1
573.16663	2.3
641.24109	1.3
656.25037	100.0
657.25366	22.3
657.34991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.7
59.01249	3.8
59.52370	0.2
61.98701	100.0
63.41053	0.3
65.00212	0.4
67.01772	0.4
69.03323	0.4
69.37811	2.4
71.01254	2.1
72.99178	0.6
73.02824	0.6
74.57269	0.2
75.00747	0.5
76.29451	0.2
81.03333	0.3
81.43421	0.2
83.01263	0.8
85.02816	1.5
87.00757	0.4
89.02328	0.7
93.03333	1.2
95.01285	0.5
96.95894	1.0
97.02860	0.4
98.19769	0.5
99.00745	0.5
99.04400	0.3
101.02340	0.7
107.01267	0.6
108.02134	0.6
109.02856	0.9
111.00768	0.4
113.02341	1.1
116.48188	0.3
117.03365	1.3
118.03685	0.4
119.04935	0.9
121.02849	1.1
123.04428	0.7
124.01539	0.7
125.02327	3.8
126.02686	0.8
132.24719	0.3
134.03624	0.9
135.04424	1.0
137.02348	1.0
139.03865	0.3
141.01782	0.3
141.04089	0.8
143.03375	0.3
145.02899	0.3
147.04416	0.3
149.02339	2.7
149.05991	0.4
150.02736	0.6
151.00290	1.0
151.03986	0.5
152.01027	1.1
153.01817	1.0
156.00502	0.3
160.01582	0.5
161.02342	0.8
163.00374	0.4
163.03932	0.9
164.04678	1.6
165.01837	0.3
165.05432	0.7
167.03416	0.4
169.01352	0.3
170.80452	0.3
173.04465	0.5
173.05951	0.5
175.00294	1.3
175.02501	0.3
175.03935	0.9
177.01930	0.4
177.05524	0.2
178.02698	0.2
178.99762	0.5
179.03528	0.5
179.07010	0.4
180.00107	0.4
181.04927	0.3
190.02684	3.1
191.03346	1.0
191.05603	0.7
193.05029	0.9
195.06577	0.3
199.07623	0.3
201.05569	0.4
205.05014	3.6
215.07275	0.3
217.01390	0.3
223.05991	2.0
224.06516	0.3
241.04947	0.4
242.05536	0.3
243.03264	0.2
243.06551	0.5
244.06987	0.4
249.06036	0.3
259.06064	4.1
260.06470	3.4
267.07336	0.4
269.04498	0.3
285.04044	0.9
287.05536	2.2
288.06006	1.6
311.05478	0.5
313.06747	0.3
387.20175	0.4
441.69577	0.3
493.31244	0.3
511.15369	0.3
593.26038	4.9
594.26868	0.5
628.17297	1.3
635.12140	0.3
656.16675	0.4
656.32281	0.3
657.23859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	2.4
61.98689	2.0
77.99828	1.2
85.02806	2.3
87.00750	1.4
98.19794	4.5
107.01256	2.7
109.02826	2.8
133.02870	2.1
145.65874	1.2
149.02348	1.9
151.00285	5.1
199.03902	1.6
230.44031	2.0
255.03116	1.5
284.03287	14.0
285.04025	100.0
286.04431	7.7
404.61838	1.6
593.15063	63.6
594.15344	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	656.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67076	0.8
55.46906	0.8
59.01247	2.1
61.98695	1.0
65.00210	1.5
68.99773	0.9
71.01247	1.2
71.59158	1.2
85.02850	1.2
87.00765	1.1
91.91358	0.7
93.03328	1.0
95.01297	1.0
98.96790	0.8
107.01258	2.0
109.02907	1.0
117.86678	0.8
123.00737	1.0
125.02339	0.8
133.02844	3.6
139.00279	1.1
149.02333	1.3
151.00237	4.5
169.01259	1.3
175.03925	1.1
177.01910	0.9
178.99762	1.5
185.05988	1.0
191.05521	1.2
199.03922	1.7
210.88068	0.9
217.05115	1.5
233.04395	1.5
243.02824	1.0
259.02496	0.8
284.03229	12.2
285.04019	100.0
286.04410	7.8
287.01859	0.9
319.04092	1.0
331.04779	1.0
593.15039	52.1
594.15326	8.8
657.16479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32388	0.9
59.01246	100.0
60.01590	1.4
61.98695	6.7
70.13504	1.1
71.01256	3.0
71.57552	1.3
71.58018	1.3
78.95760	5.4
89.02315	2.4
97.02778	1.6
101.02335	1.5
109.06441	2.7
135.08192	1.3
141.01585	66.4
142.01945	1.4
149.78613	1.0
152.15602	1.2
152.99507	2.2
155.25015	1.1
162.49519	1.0
163.11195	2.1
173.02927	1.5
180.13379	1.0
185.11697	1.4
189.57672	1.0
196.48120	0.9
207.10146	6.5
209.11731	5.2
211.13329	15.1
225.11325	5.1
253.09232	2.1
255.23137	1.7
256.23572	1.7
257.05347	1.1
275.06210	4.7
277.21725	2.9
305.49835	1.0
317.07397	1.4
339.00122	3.1
359.21887	1.7
383.22305	1.8
391.19595	2.5
401.23169	1.9
417.15790	1.1
461.20078	1.5
507.30560	1.2
535.27454	5.8
637.32446	3.9
655.32928	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	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.1
57.03325	2.1
58.00484	0.7
59.01248	22.2
60.18587	0.8
61.98684	2.4
67.00596	0.8
68.99750	0.8
69.03320	1.8
71.01247	15.6
71.05839	1.2
71.06156	1.0
71.45013	0.8
73.02812	2.2
76.16180	0.7
80.02543	1.9
81.03301	3.7
83.01246	2.3
83.04894	3.9
85.02824	4.3
87.00751	3.3
89.02312	8.7
93.03342	1.5
95.01229	1.8
95.04896	2.9
97.02831	8.6
97.06443	2.2
99.00748	2.4
101.02317	12.2
106.04115	1.0
107.04887	1.7
109.02840	0.9
109.06470	40.4
110.03619	2.3
110.06839	1.2
111.04391	1.2
113.02315	6.1
119.03375	2.1
121.06476	3.0
123.04473	1.0
123.07996	1.6
125.02357	1.3
125.09588	2.9
133.06514	1.2
135.08084	5.1
136.05157	2.0
141.01843	1.1
142.02611	2.8
143.03368	0.9
145.04922	1.9
149.09421	0.8
161.04457	3.3
161.09605	3.1
163.11185	20.4
164.11475	1.4
165.12767	1.4
171.10173	6.2
179.10728	1.7
181.12294	6.4
183.13818	12.1
185.11754	11.3
189.09142	1.5
193.12202	1.7
203.14267	1.2
205.12265	1.3
207.10193	100.0
208.10504	5.5
209.11739	14.4
210.12065	0.9
211.13327	99.0
212.13705	4.6
221.15416	2.9
223.13332	2.0
225.11272	56.7
226.11607	3.0
227.12837	2.4
231.13841	1.2
233.11826	2.3
235.08220	6.5
247.13370	2.3
249.15022	1.4
251.12857	3.4
253.09235	12.7
263.16492	1.3
275.16522	1.4
281.13889	1.5
299.14886	2.7
310.46927	0.8
321.22284	1.0
329.24829	1.5
339.19540	1.0
339.23080	4.7
355.22739	2.5
357.24216	3.2
365.21326	1.2
373.23761	7.9
374.23917	0.9
375.25455	2.1
383.22205	11.9
384.22223	1.0
391.24811	6.9
401.23331	26.1
402.23618	2.3
419.24323	9.9
420.24802	1.1
443.19165	5.3
447.22272	1.8
461.20248	17.6
462.20599	1.8
493.28036	1.0
546.31317	0.9
609.33063	4.7
611.30945	1.9
619.30994	4.1
637.32227	50.8
638.32538	7.9
655.33307	55.2
656.33722	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	655.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.6
59.01246	0.8
61.98692	1.7
63.02270	2.1
65.00191	15.4
66.00509	0.3
69.21610	0.2
69.32602	0.8
69.33022	1.1
71.01245	0.4
81.03342	0.4
83.01254	6.1
83.04894	0.2
85.02810	0.5
85.41491	0.2
88.53980	0.2
89.02318	0.3
93.03342	0.5
101.02302	0.3
107.01266	23.6
107.04875	0.5
108.01542	0.4
109.02843	2.2
113.02333	0.4
116.92738	0.8
117.03314	0.3
121.02866	0.6
123.04425	0.2
125.02325	6.1
131.01262	0.3
133.02863	1.0
134.03687	1.3
135.04407	64.1
136.04736	2.3
137.02319	0.7
140.43997	0.2
145.02780	0.2
149.02344	1.8
149.05949	0.3
151.00267	100.0
152.00598	3.1
153.01808	0.3
159.04419	0.2
161.02339	3.2
164.01059	0.4
164.04666	0.7
165.01836	1.0
169.01344	2.5
175.00270	1.6
177.01848	1.5
190.02637	2.8
191.03354	0.6
193.01289	0.3
205.01532	0.2
205.05000	2.9
209.11783	2.0
223.06044	0.8
225.05464	0.3
227.12662	0.2
243.06602	0.2
247.06264	0.2
255.02950	0.7
256.03632	0.3
269.04541	0.9
283.02505	1.3
284.03131	0.9
285.04065	0.8
287.05600	59.3
288.05930	3.9
295.04538	1.3
301.07159	11.4
302.07520	0.8
351.21634	0.2
353.08942	0.4
367.10400	3.7
368.10797	0.4
431.09869	1.2
432.09909	0.3
449.10660	1.4
493.12939	0.5
493.31995	0.3
519.11499	2.0
536.46240	0.2
655.16614	15.4
656.17041	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
61.98700	4.1
71.01257	4.6
71.01635	1.0
71.57858	1.5
78.95782	1.9
83.01227	1.1
87.00748	1.1
89.02312	1.4
97.02780	1.8
101.00830	2.0
101.02293	1.1
103.91872	1.5
109.06488	3.3
114.78696	1.0
117.00338	2.2
129.16933	1.0
133.24535	0.9
141.01590	76.2
142.01884	1.2
152.99539	1.2
163.11171	1.3
171.10242	1.2
171.94556	3.9
173.02950	1.7
185.11784	1.3
201.02496	1.2
207.10222	6.2
209.11790	2.1
209.82901	1.0
211.13290	11.8
225.11191	4.5
253.09294	2.8
257.05295	1.0
275.06238	10.6
277.21713	3.4
298.00708	1.0
303.32242	0.9
317.07242	3.5
339.00198	2.2
359.22192	1.3
391.19681	4.5
419.23636	1.4
461.20273	1.5
472.89304	1.2
535.27710	11.2
536.28479	1.4
595.30133	2.0
637.31958	3.1
655.33044	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	655.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72189	0.3
51.22370	0.3
55.01749	0.4
57.03313	2.6
57.26456	0.3
59.01246	4.5
61.98701	2.1
63.02267	2.1
65.00191	16.1
68.97171	0.3
69.03325	0.5
71.01257	3.3
71.58469	0.3
72.99181	0.5
73.02808	0.6
75.00745	0.9
78.89935	0.3
81.03311	0.6
83.01252	7.1
83.04890	0.5
85.02827	1.3
87.00748	1.0
89.02296	1.5
92.33715	0.3
93.03341	1.2
95.01266	0.7
96.95878	0.7
97.02823	0.8
97.06474	0.3
99.00749	0.6
101.02331	1.2
107.01266	21.8
107.04922	0.4
108.02093	0.8
109.02846	2.5
111.00787	0.4
111.04367	0.3
113.02327	1.8
116.92737	0.6
117.03348	0.3
119.03406	0.4
119.04834	0.4
121.02846	1.3
123.04417	0.7
124.01598	0.4
125.02331	17.3
126.02689	0.5
130.75752	0.3
131.01260	0.4
132.02037	0.4
133.02879	1.4
134.03644	2.0
135.04405	63.2
136.04691	2.2
137.02347	3.1
139.03885	0.3
141.04112	0.4
149.02341	2.2
149.05989	0.9
150.03140	0.7
151.00267	100.0
152.00597	3.0
153.01814	1.0
159.04398	0.6
160.01588	0.9
161.02362	3.9
161.04373	0.4
163.03860	0.5
163.11258	0.4
164.04663	1.3
165.01828	1.5
165.05415	0.6
165.09120	0.4
168.00545	0.3
169.01332	4.3
171.10124	0.4
174.01462	0.3
175.00278	2.3
175.02473	0.5
175.03909	1.3
176.01041	1.3
177.01860	1.8
177.09149	0.3
179.03418	0.7
179.07040	0.3
183.13864	0.5
185.11842	0.3
190.02631	3.5
191.03421	1.8
191.05144	0.4
193.01292	0.6
193.04921	0.7
199.46481	0.3
201.05450	0.3
205.05005	4.2
207.10265	0.7
209.11742	6.3
211.13312	0.5
217.01331	0.5
223.06036	1.3
225.11214	0.6
227.12819	1.1
241.04840	0.3
243.19588	0.4
247.06210	0.4
249.05891	0.4
260.57101	0.3
267.12250	0.5
269.04550	1.1
284.03152	0.6
285.04019	2.2
286.04553	0.7
287.05591	65.6
288.05936	4.1
295.04581	0.6
301.03647	0.7
301.07138	11.9
302.07523	0.8
317.06583	0.4
335.92328	0.4
367.10370	4.7
401.23373	0.6
405.24527	0.4
419.24051	0.3
431.09576	1.3
449.10779	1.0
449.33487	0.3
493.11960	0.3
493.31512	0.7
519.11804	1.5
520.11426	0.4
637.32135	0.7
655.16455	12.7
655.32336	3.5
655.72791	0.4
656.16461	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	655.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.7
59.01248	2.1
61.98704	2.9
63.02264	1.8
65.00191	16.0
66.00530	0.3
69.26712	0.3
69.27109	1.1
71.01251	1.2
72.99166	0.3
73.02807	0.3
74.72643	0.1
75.00739	0.4
77.97791	0.1
81.03323	0.2
83.01251	6.6
83.04897	0.3
85.02816	0.7
87.00771	0.2
89.02315	0.6
91.01741	0.2
93.02943	0.1
93.03353	1.4
95.01255	0.4
95.04837	0.1
96.95895	0.4
97.02822	0.2
99.00748	0.4
99.92443	0.3
101.02332	0.5
107.01266	23.6
107.04884	0.4
108.02154	0.7
108.99162	0.2
109.02835	2.8
111.00783	0.2
111.04405	0.2
113.02320	0.6
116.92731	3.4
117.01788	0.2
117.03315	0.2
117.92764	0.2
119.01272	0.2
119.04890	0.3
121.02842	0.5
123.04428	0.3
124.01626	0.2
125.02340	5.5
131.01228	0.2
132.02068	0.2
133.02809	1.1
134.03650	2.0
135.04407	64.5
136.01584	0.3
136.04747	2.0
137.02356	2.0
139.00319	0.1
139.03903	0.1
141.04082	0.1
145.02859	0.5
149.02338	1.7
149.05988	0.4
149.99469	0.3
150.03049	0.2
151.00267	100.0
152.00598	3.2
153.01819	0.6
159.04480	0.3
160.01547	0.2
161.02338	2.9
161.04489	0.2
161.05984	0.2
163.00282	0.6
163.03893	0.4
164.01048	0.3
164.04691	0.9
165.01846	1.5
165.05438	0.4
167.03458	0.2
168.00609	0.2
169.01329	3.5
171.10132	0.2
173.04504	0.3
175.00273	2.0
175.03889	0.5
176.00668	0.2
177.01834	2.1
178.99901	0.1
179.03476	0.2
179.07095	0.2
181.04951	0.2
183.04465	0.2
190.02631	2.9
191.03413	0.5
191.05522	0.2
192.00621	0.2
193.01314	0.2
193.05022	0.4
196.00050	0.3
199.03954	0.2
201.01819	0.3
201.05484	0.3
203.03441	0.3
205.01442	0.2
205.04996	3.1
206.05519	0.3
209.11745	4.1
215.03400	0.1
217.01399	0.3
223.06059	1.2
225.05576	0.2
227.12860	0.3
241.05013	0.2
243.06607	0.3
247.06024	0.3
255.02925	1.3
256.03699	0.4
269.04535	1.4
270.04959	0.4
283.02478	2.2
284.03262	1.6
285.03976	2.7
286.04602	0.6
287.05588	60.4
288.05936	4.2
295.04535	1.1
299.02017	0.2
299.05490	0.2
300.02820	0.2
301.07150	9.7
302.07358	0.8
317.02921	0.2
353.08704	0.6
359.28116	0.2
367.10318	3.8
368.10815	0.3
405.24780	0.4
431.09836	1.0
447.09338	0.4
449.11090	1.1
493.11984	0.4
519.11420	2.0
520.11981	0.3
637.32629	0.3
655.16571	13.1
655.32434	1.2
656.16907	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77072	0.2
55.01757	1.6
57.03331	1.3
58.00467	2.5
59.01253	47.7
60.01608	0.3
61.98707	0.4
68.99697	0.4
69.03329	2.8
71.01256	38.3
72.01623	0.4
72.99187	2.8
73.02821	7.2
75.00748	1.0
80.95034	0.2
81.03328	1.6
83.01260	4.8
83.04881	0.3
83.89992	0.2
84.01575	0.3
84.02036	0.3
85.02827	8.3
85.99989	0.3
87.00755	9.4
87.04427	0.3
89.02321	32.9
90.02661	0.4
91.03893	0.7
91.06216	0.3
93.03362	0.3
95.01266	2.8
95.04913	0.2
97.02831	6.4
98.03138	0.3
99.00771	2.3
99.04394	0.6
101.02324	30.7
102.02710	0.4
103.03895	0.4
109.02874	0.7
111.00787	0.8
111.04377	1.5
113.02336	15.3
114.02612	0.3
115.03917	1.1
119.03394	11.5
121.02856	0.7
123.00751	0.5
123.04436	0.5
124.01509	0.3
125.02341	13.4
126.02670	0.4
126.92852	0.2
127.03893	0.7
129.01828	0.5
131.03401	1.8
133.04977	1.5
139.03880	1.4
141.01883	0.7
143.03398	6.1
149.04437	1.2
151.03813	0.2
157.05002	0.3
159.02762	0.3
161.04482	7.3
167.03423	0.6
169.04904	0.7
171.02885	0.4
171.05577	0.3
179.05528	6.6
181.04861	0.3
185.04497	0.6
199.06055	0.5
203.05644	0.6
217.07224	1.2
219.05061	0.5
221.06618	2.9
235.08208	14.6
236.08527	0.6
237.22041	0.3
245.06607	0.7
253.09285	3.2
255.23283	100.0
256.23624	7.0
260.52707	0.2
263.07715	1.8
269.24826	0.4
277.09314	1.0
287.07779	3.7
305.08820	4.2
323.09787	2.3
361.11505	0.6
379.08011	0.2
379.12354	1.3
397.13507	82.9
398.13815	5.1
415.14581	31.7
416.14987	2.0
563.08447	0.3
653.36993	0.3
658.93573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18692	1.2
55.01749	1.3
57.03315	3.9
58.64441	1.2
59.01244	21.4
61.98684	4.0
67.01757	1.4
71.01254	21.4
71.29332	2.0
71.29656	1.9
72.99186	6.7
73.02804	3.6
75.00743	16.2
81.03345	1.3
83.01247	2.4
83.04900	2.5
85.02816	23.5
87.00751	7.3
89.02308	7.4
93.03321	2.3
94.52829	1.1
95.01253	4.8
96.95835	1.6
99.00731	11.4
101.02319	5.4
103.00230	1.5
108.02003	2.0
109.02828	1.3
109.06474	1.7
111.08040	3.2
113.02328	20.9
117.01838	1.7
119.03442	1.5
125.02364	1.6
125.09621	4.1
133.02873	1.6
137.02338	1.7
137.39690	1.4
139.00258	1.5
149.02368	3.0
161.02361	1.8
161.04440	1.9
164.04735	2.0
165.12749	4.8
171.10191	18.2
175.02428	1.9
183.13824	11.0
185.11810	1.6
190.02733	2.4
207.10213	4.0
209.11795	7.6
211.13315	3.6
215.14377	1.8
223.06023	4.4
223.13394	1.8
225.11214	3.4
227.12823	5.6
231.13882	1.3
233.15390	6.8
249.06267	1.5
249.14905	6.0
253.09291	1.6
285.04126	2.9
317.23447	1.5
341.24933	1.6
385.23764	3.6
403.24948	4.5
421.25778	2.3
609.32495	1.5
635.30585	7.6
653.31799	100.0
653.43512	9.6
654.32324	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	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.1
57.03318	1.5
58.00468	2.0
59.01251	39.7
60.01576	0.4
61.98695	0.8
62.17142	0.2
64.58396	0.2
68.99687	0.4
69.03322	2.1
71.01252	38.7
72.01591	0.5
72.99179	3.4
73.02815	5.0
75.00751	0.7
78.95782	0.5
81.03341	1.9
81.96358	0.2
83.01257	4.5
83.04857	0.3
84.02027	0.2
85.02827	8.1
86.00004	0.3
87.00749	9.1
88.01079	0.3
89.02316	32.2
90.02618	0.5
91.03886	0.9
93.03343	0.5
95.01270	2.3
95.04928	0.3
97.02826	5.9
98.19769	0.6
99.00762	2.8
99.04400	0.7
101.02320	30.1
102.02650	0.5
103.00288	0.4
103.03906	0.6
109.02850	0.6
110.32275	0.2
111.00748	0.8
111.04392	1.0
112.01543	0.4
113.02329	13.8
114.02654	0.5
115.03877	0.8
119.03389	9.7
121.02868	0.8
123.04421	0.4
124.01572	0.6
125.02332	14.3
126.02666	0.2
127.03884	0.5
129.01794	0.3
131.03387	1.4
133.04956	1.2
137.02307	0.5
139.03964	1.0
141.01794	0.4
143.03400	6.4
146.92587	0.3
149.04463	0.9
152.99469	0.6
157.04991	0.4
161.04456	6.8
167.03462	0.6
169.04976	0.7
171.02879	0.5
179.05525	6.5
180.05942	0.3
185.04478	0.7
199.06003	0.4
203.05551	0.2
217.07085	1.0
219.05057	0.4
221.06596	2.5
222.06845	0.3
229.41147	0.2
235.08188	14.4
236.08594	0.4
245.06697	0.8
253.09265	3.2
255.23267	100.0
256.23611	7.0
256.26331	0.3
263.07617	1.4
269.24875	0.8
277.09305	0.7
287.07724	3.2
305.08759	3.8
306.08990	0.3
323.09756	1.6
361.11337	0.4
379.12479	1.1
397.13486	78.9
398.13867	5.9
415.14554	29.6
416.14883	2.4
480.98340	0.2
571.28638	0.9
653.37720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03362	0.5
59.01249	4.7
61.98731	1.1
69.03355	0.6
70.65331	0.7
71.00879	0.6
71.01257	4.3
72.99201	0.6
73.02855	0.8
75.00793	0.6
78.95803	1.1
83.01304	0.6
83.04936	0.7
85.01257	0.5
85.02879	1.9
87.00758	0.7
89.02348	1.0
91.01786	0.6
93.03372	1.6
95.01324	1.2
95.04917	0.4
95.29762	0.4
97.02867	0.6
97.06530	0.7
99.00808	0.8
101.02338	2.5
107.04963	0.6
108.02103	2.0
109.02838	3.7
109.06503	1.2
113.02375	1.7
119.01334	1.7
119.03374	0.5
119.05034	0.4
121.02824	2.7
123.00819	1.9
124.01607	1.4
125.09644	1.3
133.02859	2.1
134.03670	1.4
135.04451	1.5
136.01569	2.3
137.02341	5.4
145.02809	0.9
147.00832	1.7
147.04572	1.0
148.01619	1.5
149.02332	9.3
149.03380	0.6
150.03052	0.5
151.03897	0.7
152.01013	2.4
153.01891	1.2
159.04404	0.5
160.01639	0.8
161.02377	3.9
161.04439	0.6
163.03902	2.5
163.11145	0.7
164.04695	9.2
164.05927	0.7
165.01859	1.3
165.12775	0.8
171.10255	1.5
174.01784	0.7
174.03244	0.6
175.00275	16.4
175.04024	0.9
176.01006	2.3
177.01872	0.9
179.05681	0.5
179.07065	2.0
183.13933	1.0
185.06137	0.5
185.11728	0.9
186.06786	0.6
189.01859	0.7
190.02629	40.2
191.03362	4.9
193.01404	0.9
193.05125	0.5
197.06012	0.7
199.03984	1.1
202.06366	0.7
205.04996	48.6
206.05389	2.7
207.02939	1.2
207.10156	2.6
208.03690	2.2
209.04398	0.7
209.06190	0.6
209.11737	7.4
211.03947	1.5
211.13362	0.6
213.02013	0.4
213.05539	1.7
214.06242	0.6
217.01439	0.5
222.84779	0.4
223.06061	15.7
223.09483	0.6
223.13379	0.8
224.04594	0.6
225.05530	2.0
225.11205	3.0
226.06293	2.1
227.03503	2.4
227.06711	0.5
227.12903	2.0
228.04185	0.6
232.03653	0.7
235.08107	0.5
241.04999	2.4
242.05771	1.6
245.11853	0.5
247.06212	1.0
247.13187	0.5
252.04225	1.0
253.05034	2.2
255.02960	7.0
256.03589	0.5
261.29730	0.5
269.04578	5.5
270.05313	100.0
271.05649	6.6
284.03342	0.8
284.06967	1.5
285.07654	77.7
286.08023	5.6
294.05310	0.6
299.05847	0.7
299.09036	3.1
307.08948	0.4
337.05450	2.5
339.08884	0.6
352.08121	4.4
353.08749	6.6
367.10315	49.8
368.10715	3.8
373.23611	0.7
399.21820	0.7
403.19464	1.5
417.22824	1.8
429.11832	3.6
430.11758	0.5
435.23615	0.8
443.79730	0.5
447.31052	0.6
461.20535	0.5
491.33075	0.5
635.30127	1.9
653.18207	9.4
653.31171	10.3
654.18707	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	9.5
57.93552	1.9
59.01249	30.9
67.01727	2.8
67.49953	2.0
68.99693	3.8
69.03314	5.8
69.36560	16.0
71.00896	2.4
71.01254	32.1
71.80876	2.0
72.99168	7.0
73.02809	5.8
75.00747	10.7
83.01245	5.7
83.04893	2.1
85.02331	3.1
85.02821	33.6
87.00747	16.2
89.02328	12.0
93.03326	4.9
95.01263	7.1
96.95874	6.9
97.02802	2.8
97.06454	2.4
99.00743	7.7
101.02295	11.3
106.77017	1.9
108.02039	4.8
109.02831	11.5
111.00750	6.5
111.08003	8.8
112.01527	1.9
113.02325	41.3
115.00256	4.9
115.07709	2.0
121.02820	2.2
123.04308	3.0
124.01488	2.2
125.02285	4.0
129.01773	7.2
131.03375	3.2
133.04924	4.2
134.03629	3.1
135.00769	4.1
137.02299	5.7
139.00208	3.9
139.03772	2.3
141.01799	2.3
149.02295	7.8
151.00267	2.4
151.03825	2.2
152.01027	7.4
153.01868	17.7
163.03868	3.2
164.04642	3.7
165.05305	1.9
165.12755	84.5
173.04398	3.1
175.02370	3.7
175.03865	3.9
179.03397	2.9
183.13828	82.6
184.14076	4.5
190.02579	8.0
191.05528	4.6
193.04918	2.5
195.06578	4.1
205.04979	12.3
205.06966	3.8
209.11705	7.0
223.06029	5.5
227.12833	17.3
243.06606	19.9
249.06093	11.8
262.64035	2.0
263.07639	6.2
267.07098	7.4
271.02423	2.6
281.08719	19.1
285.03931	5.8
299.01956	4.8
301.16400	3.2
405.11783	4.7
415.19791	9.3
433.85126	2.1
459.18616	6.7
464.83511	1.9
473.20160	33.4
474.20602	3.9
491.21323	86.7
492.21716	10.5
502.26932	2.1
533.22052	3.1
563.22491	2.2
593.24280	2.8
653.17383	5.4
653.26508	100.0
654.26709	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	653.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41723	0.4
57.03315	0.5
58.23510	0.4
59.00995	0.4
59.01249	5.9
61.98687	1.0
63.02254	0.6
65.00164	0.6
67.01762	0.4
69.03305	0.9
69.40515	3.3
71.01255	3.4
72.99161	0.7
73.02798	1.0
75.00741	0.5
77.77900	0.5
83.01245	1.2
83.04864	0.6
85.02799	1.7
87.00722	0.5
89.02309	1.4
91.01760	0.7
93.03323	1.5
95.01259	1.4
95.04879	0.5
96.95857	1.2
99.00739	0.9
101.02328	2.0
102.04105	0.4
107.01250	1.2
108.02026	2.9
109.02835	2.8
109.06489	0.6
113.02298	1.8
117.03361	0.5
119.01265	1.2
119.04906	1.0
121.02815	2.6
123.00761	1.9
124.01527	2.5
125.02306	1.6
133.02841	5.0
134.03600	1.3
135.00739	0.5
135.04376	1.4
136.01550	1.2
137.02321	5.4
139.03827	0.5
143.20268	0.5
145.02846	1.5
145.65771	0.4
147.00754	1.0
147.04404	0.9
148.01576	0.9
149.02328	7.8
150.02806	0.5
151.00291	2.1
151.03835	0.4
152.01065	3.2
153.01796	1.6
160.01529	1.5
161.02342	2.9
163.03891	1.1
163.11179	0.5
164.04689	6.5
165.01797	0.8
165.05215	0.5
165.12730	0.4
171.10213	0.7
175.00296	7.8
175.03932	1.7
176.01111	0.7
179.07024	1.0
185.05948	0.5
187.55969	0.5
190.02637	16.8
191.03348	2.3
193.04958	1.0
197.06020	0.6
199.03998	2.4
200.04674	0.8
201.01810	0.5
202.06238	0.6
205.04991	18.6
206.05379	1.0
207.10226	0.6
209.11745	0.9
211.03867	1.4
213.01762	1.3
213.05475	2.1
214.06256	1.5
223.06050	11.4
224.04596	0.9
225.05528	2.1
226.06326	2.1
227.03450	3.3
229.05029	0.5
241.05057	2.5
242.05730	1.8
243.06564	1.5
249.06281	0.5
252.04218	1.2
253.05005	3.0
255.02962	8.0
256.03610	1.6
257.04227	0.5
268.03708	1.0
269.04559	5.0
270.05307	95.2
271.05658	5.9
283.02319	0.9
284.03247	11.9
284.06421	0.9
285.04065	42.3
285.07657	100.0
286.04358	3.5
286.08005	7.0
299.05682	1.0
299.08997	0.6
315.07083	1.0
352.07813	0.7
353.08783	2.7
367.10300	14.6
368.10513	1.1
429.12280	0.7
502.16428	0.4
609.19830	3.9
610.20087	0.7
653.18854	21.8
653.30847	3.7
654.19183	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30989	0.6
59.01245	4.6
71.01244	3.6
72.17890	0.6
73.02805	0.9
83.01231	0.7
85.02814	2.4
87.00748	1.9
88.98684	0.8
89.02310	2.1
91.01767	12.8
93.03319	1.4
95.01274	1.3
95.08611	0.6
96.95872	1.4
101.02313	1.6
108.01352	1.1
108.02044	13.4
109.02230	0.8
109.02847	9.1
113.02315	2.1
119.04891	1.5
121.02830	1.5
123.00753	5.1
123.04543	0.6
124.01535	0.7
125.02316	0.6
133.04962	6.0
134.03616	1.3
135.00768	14.4
135.04375	1.8
137.02333	3.5
137.63144	0.6
145.02802	0.7
149.02309	2.2
152.01044	14.8
152.02167	1.2
153.01845	10.0
153.05432	0.6
161.02194	0.6
163.03926	1.1
164.04674	1.6
167.03424	0.8
171.10182	1.1
173.04474	0.7
175.00252	0.9
175.03847	0.9
177.01901	0.8
190.02628	2.0
191.05458	1.3
193.04996	1.5
197.06020	1.1
202.95427	0.6
205.05048	1.7
213.05475	1.5
223.06047	2.4
243.06583	100.0
244.06918	7.5
285.04022	2.8
285.16812	0.6
297.06223	2.4
315.07013	0.7
405.11896	1.7
429.10333	2.5
447.12918	26.6
447.22235	1.0
448.13239	2.5
478.73889	0.7
489.10510	2.0
653.27966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76051	1.0
58.57425	1.1
59.01234	4.7
60.59237	1.1
67.33967	1.1
69.03322	2.6
71.01256	7.0
73.02818	1.4
75.00736	1.9
83.01233	1.7
85.02806	5.4
87.00745	2.0
88.98682	2.0
89.02309	9.6
93.03332	2.3
95.01249	3.2
97.02807	2.0
98.19750	3.1
101.02320	3.5
107.01247	1.3
108.02047	69.2
109.02845	38.9
111.00759	2.0
112.69428	1.3
113.02301	3.0
121.02837	2.0
122.29171	1.2
123.00768	14.0
123.04360	1.4
124.01588	7.4
125.02319	20.9
125.87617	1.2
131.03580	1.1
133.02864	1.9
133.04964	7.2
134.03589	3.3
135.00743	3.7
135.04370	2.7
137.02338	4.5
144.04424	2.4
146.05995	1.3
149.02322	5.4
149.99469	10.0
151.00252	2.9
151.03880	3.5
152.01050	75.9
153.01836	41.9
154.02191	2.1
160.03928	1.4
161.02341	1.6
161.04433	1.3
163.03885	4.3
164.04611	2.2
165.01823	3.2
165.05519	1.2
167.03343	4.2
168.00575	22.8
169.01282	4.7
175.95744	1.2
177.01863	26.7
178.02376	1.6
180.03951	1.4
190.02628	1.8
191.03540	1.5
191.65857	1.3
193.04977	3.0
197.02596	1.2
205.05064	1.7
212.22412	1.1
219.02888	1.2
223.06009	1.6
230.56857	1.2
264.06036	1.3
269.06613	2.9
295.04504	1.9
304.80771	1.6
313.05576	6.2
315.07199	100.0
316.07446	6.4
339.07184	43.7
340.07544	2.6
357.08197	12.6
359.12347	1.2
383.06161	40.3
384.06421	3.1
401.07211	20.0
429.10269	5.4
441.05002	1.2
446.50229	1.3
447.11411	56.4
448.11560	4.6
475.15607	1.8
609.21814	1.7
653.16870	28.2
654.17896	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	653.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	5.4
59.01252	16.5
63.02249	0.9
65.00189	2.6
67.01736	1.4
68.99660	1.5
69.03318	4.2
71.01253	16.5
71.04891	1.8
71.59374	1.3
72.99207	1.7
73.02813	2.0
75.00767	2.6
81.03346	1.3
83.01239	3.7
85.02819	16.5
87.00754	7.2
89.02290	4.9
91.01763	12.1
93.03344	3.5
95.01257	4.9
95.04931	1.1
96.95904	3.6
97.02841	1.9
99.00755	3.2
99.04418	1.3
101.02312	3.6
103.00283	1.0
107.01273	4.9
107.04916	1.1
108.02057	15.7
109.02840	9.6
109.06432	1.1
111.00757	4.7
111.08038	6.4
113.02322	20.8
114.02657	1.0
119.03369	1.7
119.04913	1.2
121.02818	2.3
123.00774	7.2
124.01521	1.4
125.01521	1.0
125.02296	5.4
129.01822	3.1
133.02829	1.0
135.00772	13.9
135.04457	1.3
137.02351	6.6
139.00246	3.1
139.03918	1.1
139.11194	1.0
141.01775	2.4
149.02299	4.1
151.00261	12.4
151.03799	1.2
152.01044	19.4
153.00623	1.7
153.01833	20.0
161.02267	1.4
162.81955	1.1
163.00290	3.3
163.03943	2.1
164.01155	1.2
164.04684	2.2
165.01811	4.0
165.12758	50.8
166.13077	2.0
167.03424	1.5
169.01329	1.2
175.00237	2.1
177.01805	1.8
178.99734	2.6
183.13837	28.9
184.14113	1.1
190.02571	3.2
191.05511	2.3
193.01256	1.7
197.05998	1.8
205.05002	2.9
205.06897	1.6
206.99222	1.9
207.99916	1.3
209.11794	4.4
213.05530	1.1
215.06929	1.2
223.06078	3.9
227.12851	7.8
241.04970	1.2
243.06590	100.0
244.07036	6.7
249.06197	3.1
257.04398	1.1
263.07767	3.7
267.07098	2.2
269.04562	5.9
279.05127	1.7
281.08774	13.2
284.03152	2.1
285.03995	4.9
286.04111	1.5
297.06152	2.0
301.03433	1.8
302.03613	2.3
303.04132	1.1
339.07095	2.3
373.19290	1.3
396.79684	1.0
405.11880	36.6
406.12183	3.0
431.12265	1.5
447.13034	1.6
459.18756	3.4
473.20227	26.8
474.20413	1.8
491.21320	63.4
492.21561	5.2
501.12503	2.4
501.19556	1.7
503.14209	5.9
504.14337	1.4
515.14197	1.5
519.13171	2.4
531.13232	1.7
533.14417	5.4
559.12592	2.6
560.12695	1.4
578.92413	1.1
635.15918	2.7
645.29425	1.2
653.16302	8.6
653.26678	30.0
654.27063	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	653.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03347	0.5
59.01252	4.6
60.99218	0.4
63.57455	0.3
69.03317	2.2
70.98535	0.7
71.01252	6.2
72.99181	0.3
73.02858	0.5
73.25178	0.4
75.00785	0.8
81.03351	0.8
83.01318	1.0
85.02821	2.6
87.00756	3.4
87.04434	0.5
88.98735	1.0
89.02314	16.0
93.03397	1.3
95.01254	4.2
96.95952	1.4
97.02827	2.2
99.00819	0.5
99.04417	0.4
101.02392	1.4
107.01279	0.8
107.05009	0.4
108.02044	3.7
109.02831	3.0
111.00796	0.6
113.02310	2.0
119.04971	0.8
121.02822	2.8
123.00766	22.4
123.04465	0.9
124.01555	13.3
125.02338	36.7
126.02737	1.1
129.01866	0.5
131.03680	0.4
133.02917	0.5
133.04955	14.5
134.03673	0.9
135.04485	0.8
136.01613	0.5
136.96948	0.3
137.02362	5.4
145.02887	0.6
146.06024	0.5
147.04427	0.9
149.02341	7.5
149.04544	0.5
149.99486	19.4
150.02966	0.6
151.00294	3.2
151.03983	0.8
152.01047	4.7
153.01851	1.9
154.22131	0.4
156.31194	0.4
160.01653	0.4
160.03975	0.6
161.02393	1.1
161.04536	0.7
163.03938	1.5
164.04695	4.0
164.05954	0.4
165.01808	0.4
165.05493	0.5
166.02719	0.4
166.99869	1.0
167.03409	6.1
167.04707	0.5
168.00546	42.5
169.01324	7.9
173.04503	0.9
175.00351	1.1
175.03902	0.6
177.01935	1.2
179.03516	1.3
179.05638	0.4
179.07101	0.5
181.05063	0.7
185.01047	0.5
190.02646	2.7
190.05075	0.4
191.03461	1.3
191.05464	0.8
193.01321	0.4
193.05092	1.1
194.05606	0.3
195.02899	0.6
195.06644	0.6
196.23376	0.4
205.05005	3.2
209.04610	0.5
211.02377	0.4
223.06055	3.2
249.06174	0.5
267.07254	0.5
269.06619	5.6
295.04507	2.6
300.02332	0.4
308.90851	0.3
313.05646	11.0
314.06009	0.4
315.07199	2.3
331.06815	0.9
339.07175	1.5
340.09424	1.1
345.06021	0.5
355.11868	1.3
383.06216	1.3
385.07837	0.4
389.25543	1.1
401.07556	0.6
429.05362	0.3
429.10257	9.0
430.10660	1.3
447.11411	100.0
448.11789	9.7
475.12390	0.5
519.11749	2.2
562.11487	0.4
653.17096	26.5
653.27136	1.3
653.34186	0.8
654.17407	5.1
654.27167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00541	0.7
59.01247	3.2
65.00193	1.1
65.03827	1.6
65.67078	0.9
66.14822	0.8
67.01759	1.5
70.45298	1.8
70.45683	2.0
71.01241	2.6
72.99169	0.8
85.02801	1.4
89.02309	1.1
91.01763	35.3
93.03342	1.0
98.19845	0.8
108.02046	3.8
109.02826	25.6
116.05215	0.8
119.04893	1.6
121.02843	2.0
123.04376	1.4
128.27223	0.9
133.02782	1.5
135.00766	100.0
135.04370	3.7
136.01137	3.1
137.02318	4.1
149.02321	2.6
152.01077	2.0
153.01830	85.6
154.02158	3.0
161.02353	1.6
163.03967	0.9
165.01901	1.0
175.03883	2.6
177.01854	3.1
189.01788	1.2
191.05577	2.2
193.04961	1.1
243.06519	5.4
267.06763	0.9
297.06125	46.4
298.06430	2.7
311.07745	1.1
339.07162	46.9
340.07343	4.9
401.14224	0.8
405.11816	14.6
447.12985	13.8
448.13202	1.3
491.11511	1.5
653.16345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1721
Annotation	Isopyrenin 7-O-glucoside
Peak:m/z	Relative Intensity
57.03325	2.5
59.01245	22.3
63.78568	1.7
69.03332	6.3
69.52972	4.8
69.53378	10.0
71.01249	11.9
72.99170	1.9
73.02813	3.5
75.00744	3.6
82.46492	1.9
85.02808	11.7
87.00758	4.2
89.02328	8.1
93.03349	8.6
95.01258	3.8
96.95892	10.3
97.02831	2.8
101.02328	4.2
108.02052	55.9
109.02846	20.1
113.02308	11.6
119.04926	4.0
121.02839	5.2
122.03549	2.2
123.00776	3.0
123.04414	3.4
125.02333	7.5
128.03471	2.3
132.02065	5.3
133.02861	4.8
134.03632	35.6
135.04407	7.9
137.02321	10.6
141.04050	2.0
144.30037	1.9
149.02336	12.9
149.05988	6.8
150.03117	6.4
151.00304	2.5
151.03897	4.1
152.01048	100.0
153.01849	36.4
160.01564	33.2
161.02341	16.6
163.03922	6.0
164.04634	2.6
165.01836	4.2
165.05450	11.4
166.02592	3.0
167.03438	6.6
173.04457	3.0
175.00478	2.4
175.02469	3.9
175.03922	47.3
177.01784	3.1
178.02620	7.3
179.03409	4.3
181.04987	2.2
189.08974	2.1
190.02664	2.4
191.05571	7.5
193.04959	33.1
195.02879	2.5
195.06596	5.6
205.05035	3.8
223.06091	2.7
245.00829	2.1
249.06218	3.1
267.07230	6.4
285.03705	3.0
286.04193	2.0
297.06165	7.8
315.07156	4.5
323.07645	4.1
337.09180	7.5
375.14374	2.4
457.16934	5.4
473.16483	2.2
482.14282	2.7
491.11798	94.0
491.17151	6.1
492.12299	10.9
505.13010	3.6
506.13495	2.0
533.12756	10.1
621.15466	2.2
653.16748	58.2
654.17480	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	653.1722
Annotation	Tricin 5,7-diglucoside
Peak:m/z	Relative Intensity
59.01247	5.1
59.74180	0.9
69.03323	5.6
69.49052	4.9
69.49455	2.4
71.01234	4.4
72.99170	1.4
75.00706	0.9
83.01232	1.0
85.02827	5.0
87.00702	1.2
89.02309	7.6
91.01738	1.6
93.03319	2.6
94.55898	1.0
95.01253	1.8
96.95852	3.2
107.04934	1.0
108.02049	52.5
109.02859	11.9
113.02285	2.0
114.91611	1.0
117.03313	1.4
119.04896	1.4
121.02782	2.6
123.00740	1.9
123.04356	1.7
125.02325	5.5
132.02046	2.8
133.02808	4.5
133.04938	2.7
134.03639	21.3
135.00758	6.6
135.04367	3.4
136.01511	1.7
137.02299	3.3
149.02333	4.0
149.05965	4.2
150.02992	1.0
151.00241	3.0
151.03864	1.4
152.01047	90.2
153.01848	26.8
153.05273	0.9
160.01566	21.6
161.02344	19.1
163.03879	1.6
164.07018	1.9
167.03358	2.7
170.10307	1.0
173.04517	0.9
175.02654	1.3
175.03906	26.7
177.01759	2.3
178.02591	3.5
179.03467	4.6
191.05450	3.2
193.04991	17.6
206.08099	3.4
207.08440	2.0
267.06619	3.3
282.08853	2.8
297.06183	7.8
297.11346	5.3
315.07135	3.3
322.06412	1.3
323.07538	4.0
327.12338	2.9
337.08289	2.4
339.07092	3.2
345.13245	2.1
358.19238	1.2
375.14481	6.4
447.12625	1.2
473.16205	1.3
491.11908	100.0
492.12259	9.9
528.84674	0.9
533.12872	6.5
534.13586	1.1
537.19250	0.9
653.16974	42.1
654.17548	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	653.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.2
61.98692	0.2
61.99564	0.2
63.02252	1.6
65.00191	1.0
71.01240	1.5
71.07744	0.4
71.08073	0.2
72.99168	0.3
73.02824	0.3
75.00742	0.4
83.01250	0.7
85.02803	0.9
87.00747	0.3
89.02317	0.4
93.03333	0.3
95.01292	0.2
99.00747	0.4
101.02328	0.7
105.03334	0.7
107.01269	2.3
108.02060	0.3
109.02837	1.7
113.02316	1.1
121.02801	1.1
123.00760	0.3
123.04365	0.2
125.02351	0.5
132.02034	0.3
133.02840	6.5
134.03571	0.4
135.00800	0.2
135.04375	0.6
136.01541	0.2
137.02316	0.6
141.04094	0.5
145.02791	0.2
147.00806	0.4
147.04382	0.4
149.02345	3.2
149.99535	0.2
151.00264	3.7
151.03906	0.3
152.01024	0.4
153.01831	0.4
153.09030	0.2
160.01523	0.3
161.02324	0.2
163.03928	0.3
164.04688	0.7
165.05438	0.3
167.03528	0.2
168.00554	0.3
171.04385	0.5
173.04437	0.2
175.00327	1.3
175.03900	2.5
176.01071	0.6
177.01855	0.6
179.03391	0.2
185.05936	0.5
187.03908	0.4
189.05513	0.4
190.02618	3.0
191.03358	0.9
193.05000	0.3
195.06467	0.3
197.05920	0.4
198.03197	0.4
199.03958	2.6
201.01880	0.7
205.04990	1.7
209.11769	0.4
211.03984	0.4
213.05463	0.6
215.03477	0.6
217.04979	1.4
223.06038	0.9
227.03232	0.3
229.04945	0.6
238.46655	0.2
239.03320	0.5
241.04971	0.6
243.02864	0.8
255.02809	0.3
256.03696	0.6
257.04483	0.5
267.03052	0.5
267.07156	0.9
268.07568	0.3
269.04352	0.3
283.98468	0.3
284.03238	10.4
285.04013	100.0
286.04352	6.4
299.05588	23.0
300.05902	1.8
331.06409	0.4
353.08734	0.9
367.10226	0.3
429.08240	0.8
447.09241	0.7
635.30347	0.2
653.15051	19.2
653.32190	0.6
654.15302	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84485	0.1
59.01244	0.4
63.02267	2.1
65.00185	1.1
78.35490	0.1
83.01247	0.6
85.02811	0.1
93.03336	0.2
98.19773	0.3
100.13759	0.1
105.03343	0.7
107.00574	0.1
107.01270	2.5
109.02842	1.5
118.81027	0.1
119.01299	0.2
121.02820	1.0
125.02298	0.2
127.93531	0.1
133.02841	8.2
134.03595	0.2
135.04407	0.4
143.04930	0.1
145.06573	0.1
145.60051	0.1
147.00847	0.1
147.04402	0.3
148.01570	0.2
149.02347	2.9
151.00267	4.6
151.03896	0.2
155.04895	0.3
157.02847	0.2
161.02292	0.1
164.04648	0.3
167.04912	0.1
169.01282	0.2
169.06552	0.2
171.04395	0.6
173.05960	0.2
174.03206	0.2
175.00284	1.0
175.03928	3.0
176.01047	0.5
176.04237	0.2
177.01900	0.5
183.04492	0.1
185.06004	0.9
187.03900	0.2
189.05429	0.4
190.02646	1.9
191.03339	0.6
195.04529	0.2
196.05336	0.1
197.06015	0.6
198.03174	0.5
199.03932	2.7
200.04356	0.2
201.01871	0.9
205.04997	0.9
211.03938	0.6
212.04707	0.3
213.05510	0.8
215.03421	0.6
217.04971	1.5
223.04037	0.2
223.06070	0.2
229.05013	0.4
230.05064	0.1
239.03447	0.4
240.04189	0.5
241.04984	1.0
242.02460	0.1
243.02940	0.8
255.02898	0.4
256.03735	0.6
257.04559	0.6
267.02911	0.3
268.03619	0.2
283.02478	0.2
284.03259	10.6
285.04016	100.0
286.01163	0.2
286.04382	6.8
299.05585	26.9
300.05933	2.1
353.08765	1.1
429.08270	0.7
447.09296	0.4
499.89862	0.1
653.15057	24.4
654.15405	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41394	0.3
57.03300	0.4
58.76096	0.3
59.01245	2.6
60.69611	0.3
61.77176	0.3
61.98700	0.4
63.02263	1.8
65.00208	1.3
71.01250	1.9
71.36286	0.7
72.99165	0.4
73.02819	0.4
74.80290	0.4
81.64299	0.3
83.01267	1.4
85.02812	0.8
87.00717	0.4
89.02325	0.7
91.01790	0.7
93.02824	0.3
93.03352	0.7
95.01280	0.6
96.95863	1.0
101.02347	0.8
107.01262	2.6
109.02843	3.6
113.02335	1.2
119.01276	1.0
119.04931	0.7
121.02850	1.2
122.92392	0.3
125.02315	0.4
133.01852	0.4
133.02853	6.4
134.03635	1.1
135.00790	1.6
135.04408	0.8
137.02299	1.1
147.00737	1.1
148.01556	0.6
149.02368	4.3
150.03157	2.0
151.00262	4.4
151.03908	0.7
152.01042	0.7
153.01843	7.1
160.35497	0.3
161.04607	0.4
161.05997	0.3
163.03920	1.0
164.04718	1.6
165.01877	0.3
165.05421	1.0
169.01389	0.5
173.04465	0.5
175.00284	4.9
175.03918	2.8
176.01067	6.7
177.01801	1.2
185.05968	0.5
188.04860	0.5
190.02646	10.3
191.03423	9.1
191.05313	0.7
192.03821	0.5
193.04890	0.5
194.02052	0.7
195.02905	0.3
198.03134	0.5
199.03963	2.3
201.01859	0.9
205.04988	5.0
208.03784	0.4
209.04486	2.6
211.03932	0.8
212.04720	0.4
213.05428	0.5
217.04950	1.0
223.06126	1.2
227.03458	1.0
229.05040	0.4
239.03429	0.6
241.05014	1.1
243.02959	0.8
251.05614	1.0
255.02985	2.1
256.03741	3.0
257.04388	0.5
269.04471	0.4
283.02444	1.1
284.03250	41.4
285.04022	100.0
286.04404	5.9
297.03839	0.4
299.05579	20.0
300.05905	1.4
315.07147	0.9
327.05206	0.8
339.07104	0.7
343.12320	0.4
353.08759	14.3
353.13150	0.7
354.08978	0.8
430.08881	0.4
447.09500	0.6
535.31073	0.5
590.05817	0.3
653.15076	65.1
654.15442	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	653.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.1
57.03338	0.2
59.01249	1.8
61.98690	0.3
63.02278	0.5
65.00204	0.4
67.01762	0.2
67.49664	0.1
69.03313	0.1
69.67197	0.9
71.01247	1.3
73.02807	0.3
78.95782	0.3
83.01260	0.5
85.02816	0.7
87.00760	0.7
88.68756	0.2
88.98685	0.2
89.02296	0.6
89.48338	0.2
91.01778	0.3
93.03328	0.5
95.01240	0.3
96.95875	0.6
97.02859	0.2
97.23666	0.1
98.20546	0.2
99.00747	0.2
101.02315	0.5
107.01276	0.6
107.04911	0.2
108.02051	0.4
108.86508	0.2
109.02824	0.7
113.02317	0.6
119.03362	0.3
119.04871	0.4
121.02788	0.4
123.04401	0.3
125.02322	0.3
125.05949	0.2
133.02841	0.5
133.04961	0.2
134.03621	0.4
135.00768	0.4
135.04361	0.3
137.02345	0.9
139.03958	0.2
140.48314	0.1
141.04083	0.2
143.04889	0.2
145.06468	0.2
147.04390	0.2
148.01553	0.3
149.02342	2.1
149.05881	0.2
151.00243	0.4
151.03906	0.6
152.01039	0.5
152.03412	0.1
153.01819	0.4
153.09056	0.2
160.01576	0.2
161.02278	0.2
161.04391	0.2
163.03885	0.3
164.04649	0.5
165.05383	0.3
166.02473	0.2
167.03474	0.2
167.04929	0.2
168.00589	0.2
169.06493	0.3
171.04381	0.3
173.02312	0.3
173.05907	0.2
174.03122	0.2
175.00261	0.5
175.03888	0.9
176.01031	0.5
177.01860	0.4
178.02618	0.2
179.03362	0.3
179.07042	0.2
183.04501	0.2
185.06056	0.8
187.03902	0.4
189.05516	0.3
190.02620	1.4
191.03244	0.2
191.05478	0.3
193.04933	0.5
195.04514	0.3
195.06543	0.2
196.05209	0.2
197.06055	0.3
199.03902	0.5
199.13321	0.3
205.04970	1.2
211.03981	0.4
212.04703	0.3
213.05434	0.8
215.03450	0.3
217.04910	0.4
223.06015	1.2
227.03377	0.5
229.05000	2.5
230.05298	0.2
237.11426	0.3
239.03400	0.3
240.04149	0.4
241.05081	0.3
242.02155	0.8
243.02760	0.2
254.45744	0.2
255.02982	0.4
256.03595	0.5
257.04501	4.4
258.05145	0.2
258.76797	0.1
267.02884	0.2
268.03717	0.3
269.04547	0.2
283.02393	0.2
284.03226	0.8
285.04013	100.0
286.04358	6.7
299.05521	0.5
367.10373	0.3
387.20242	0.2
447.09207	0.4
653.15021	3.4
653.25342	0.2
653.32404	0.7
654.15259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03624	0.4
55.01741	0.7
57.03324	3.9
58.00462	0.8
59.01245	29.2
61.98703	1.0
68.99728	0.5
69.03326	1.2
71.01249	21.5
72.99174	4.3
73.02821	2.0
75.00739	9.7
78.95770	0.7
79.95625	0.4
80.94354	0.5
81.03325	0.8
81.78501	0.4
83.01236	1.1
83.04862	0.6
85.02814	22.3
87.00742	8.9
88.98675	1.8
89.02318	8.5
89.02866	0.4
93.03322	1.2
95.01247	4.0
96.95882	9.5
97.02796	0.5
97.95824	0.5
98.02324	0.5
98.95470	5.4
98.96290	1.5
99.00748	7.3
99.04362	0.5
101.02329	2.6
103.00255	2.3
108.02022	1.4
109.02827	1.7
111.00743	1.5
112.01566	0.5
113.02322	33.7
114.02681	0.8
115.00224	1.3
117.01803	2.4
119.01268	0.5
119.04890	1.1
121.02847	1.4
123.00769	0.5
123.04394	0.6
125.02322	1.6
129.01822	2.3
131.03386	1.4
134.03622	1.6
135.04427	0.7
137.02319	2.2
138.01849	0.5
139.00255	0.7
145.12527	0.5
149.02348	2.9
149.04410	0.7
150.03047	0.5
151.00246	0.8
151.03883	1.2
152.01018	1.7
153.01813	1.6
157.01332	0.9
159.02914	0.5
160.01598	0.6
161.04440	1.0
163.03818	0.7
164.04713	2.4
165.01971	0.5
165.05261	1.0
167.03348	0.6
168.00520	0.6
173.04596	0.7
175.00230	0.8
175.02382	2.4
175.03813	0.8
179.07095	0.6
190.02586	1.8
190.37029	0.4
191.03268	0.6
191.05550	1.0
193.03438	3.4
193.05042	1.3
195.06511	0.5
205.04991	1.4
205.07111	3.0
207.04961	1.6
223.06061	4.1
224.06387	1.4
247.08289	0.7
249.06110	8.4
255.03014	1.0
267.07184	100.0
268.03745	2.4
268.07492	4.4
269.04486	2.0
271.19080	0.6
283.02798	0.8
283.06119	3.8
284.03204	1.2
285.03998	1.6
291.07184	8.8
298.16782	0.5
331.06577	0.5
335.06143	19.5
336.06512	1.2
609.35864	0.5
651.24347	11.8
652.25317	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	650.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	26.8
65.00198	20.1
65.00485	3.2
65.70054	3.1
65.99725	4.1
69.03320	4.5
69.46329	27.9
71.01252	15.0
73.02821	4.9
81.03356	2.9
83.01254	7.7
85.02824	7.8
87.00731	3.5
89.02306	9.7
91.00795	3.1
91.27580	3.1
93.03346	5.8
96.95882	6.5
99.00771	3.7
101.02320	3.9
107.01244	22.9
109.02811	23.2
111.00693	3.9
113.02310	6.3
117.03342	4.2
119.04916	21.3
120.05257	8.0
121.02814	7.3
123.00740	4.4
124.01511	5.4
125.02354	28.3
133.02852	55.0
134.02379	7.3
134.03513	4.0
135.00752	4.2
135.04396	9.1
137.02344	49.8
137.65460	3.2
139.00211	3.9
141.04060	5.1
145.02859	11.2
147.03143	4.0
147.04375	6.3
149.02361	9.4
151.00261	94.1
151.03972	3.5
152.01003	4.1
153.01868	20.0
160.00246	4.0
160.03908	5.6
161.02370	27.1
162.01738	5.9
163.00269	8.0
163.03915	12.7
164.03369	36.4
165.01852	4.1
167.03448	5.1
169.01300	4.9
173.04430	4.4
175.00316	7.9
175.03918	6.9
176.01012	12.0
177.01840	38.9
178.02231	3.2
178.99791	8.4
179.03404	20.3
180.03790	3.3
183.04378	4.3
187.03906	4.5
187.99773	3.5
188.03410	5.9
190.01353	16.8
190.04973	22.9
191.03471	6.7
191.05533	9.1
192.00647	4.2
193.01367	6.7
197.05940	3.2
199.44661	3.4
205.01375	38.3
206.04538	16.5
215.99176	4.8
216.02940	8.3
217.05069	4.2
227.03502	8.2
228.74196	3.5
229.05042	6.9
230.00830	6.4
230.04660	3.5
231.01642	35.0
232.02446	80.7
242.02113	5.6
243.02969	10.7
255.02968	33.7
256.03503	7.0
257.04538	34.3
269.04565	14.0
271.02579	12.6
283.02493	16.4
284.03198	49.4
285.03992	70.2
297.03983	41.6
298.04010	6.7
299.02173	5.6
299.05518	17.8
300.02332	7.6
300.05215	12.8
301.03513	39.5
302.03888	6.0
303.09766	3.7
313.03168	3.7
314.03336	7.2
314.06659	10.3
323.04251	9.3
323.07751	4.4
324.05078	67.6
324.08716	4.7
325.05322	6.1
336.21603	3.6
342.02365	15.7
342.06146	100.0
343.06592	4.8
381.13449	8.1
412.72391	3.4
443.33560	3.5
447.09402	17.1
457.76862	4.1
459.11639	5.2
472.14554	3.8
487.11603	18.6
488.12717	20.6
489.10330	20.4
501.12900	4.3
514.15491	10.2
540.13519	55.9
541.13452	6.5
592.14154	8.0
605.15350	5.8
607.14716	4.0
609.14575	5.4
622.17133	8.6
632.16125	59.8
633.16730	6.3
650.16870	83.6
651.15802	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83715	2.9
59.01254	5.7
65.03872	3.5
65.99748	3.0
75.00706	3.1
83.01263	5.8
85.02815	6.4
93.03340	5.2
96.95892	3.6
109.02842	7.0
113.02270	3.4
117.03334	3.9
120.65006	3.5
125.02320	10.6
132.80177	3.6
135.04385	6.3
137.02332	5.1
141.04178	3.4
141.48851	3.1
149.06047	3.9
159.04456	3.2
161.02293	7.3
163.03981	4.2
165.01788	3.8
165.72046	3.1
175.02591	3.5
175.04074	4.7
177.01906	4.5
177.04137	5.9
177.05528	4.0
179.03352	5.8
191.03487	4.9
191.05479	12.3
192.05841	4.4
205.03629	7.9
209.04550	6.0
281.08191	3.9
283.05936	5.4
297.07816	4.7
298.04575	6.3
301.06985	4.5
311.05484	3.7
325.07095	3.4
328.09122	4.0
331.06668	7.1
339.04932	3.5
351.05374	4.0
353.06479	16.4
368.10120	15.1
369.06024	6.5
383.07693	11.3
392.07504	6.6
395.20148	4.3
399.06949	4.2
410.08548	9.8
440.09686	12.5
473.10962	6.9
488.14178	5.6
489.10013	7.7
512.12054	4.7
530.13037	24.4
531.13757	3.9
560.14014	4.5
593.15112	21.5
632.16150	9.2
650.17206	100.0
651.17285	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	650.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91772	1.8
56.47696	2.4
58.38206	1.7
59.01239	12.1
63.02289	2.5
65.00197	15.8
65.99714	3.6
69.03322	2.0
71.01256	4.1
71.18616	1.8
75.00748	3.2
83.01249	7.7
85.02816	3.7
87.00762	4.0
89.02299	5.7
93.03346	2.3
95.01290	2.0
96.95913	3.0
107.01260	25.4
108.02081	1.9
109.02827	23.8
110.02385	3.7
110.62550	2.0
111.00756	2.6
119.04918	3.5
123.00766	4.6
125.02342	25.8
133.02843	46.1
134.02345	4.2
135.04398	11.4
137.02328	42.6
141.01770	2.7
146.02318	3.1
147.00720	2.0
147.03183	4.5
148.03874	2.0
149.02345	6.3
149.99449	3.2
151.00272	87.4
151.03915	2.7
152.00720	2.4
153.01868	14.2
160.03917	5.2
161.02357	13.7
162.01883	6.3
163.00241	8.0
163.02600	4.0
164.03448	30.3
165.01842	4.3
168.00488	5.0
169.01195	3.7
172.03973	2.2
173.04472	2.4
175.00253	8.5
176.01024	8.7
177.01868	32.4
178.99788	5.6
179.03406	23.3
180.03725	2.1
187.02596	4.9
188.03427	9.2
189.01904	3.9
190.01314	15.8
190.05017	22.6
190.99725	3.4
191.03497	3.4
191.05429	4.7
192.00557	5.2
192.02850	3.5
193.01370	3.9
199.03838	3.4
201.01904	3.9
202.01373	3.8
205.01343	36.3
205.03476	3.0
206.04549	22.0
213.05620	2.3
214.01318	3.2
215.99319	4.9
216.02969	6.4
217.01364	3.5
217.04997	3.4
219.02974	2.1
227.03392	6.3
227.05565	2.4
229.04933	5.4
230.00885	6.9
230.04504	2.5
231.01643	35.8
232.02444	78.0
233.02719	3.9
239.03496	3.1
240.04114	2.7
243.02954	6.8
245.04529	2.3
253.04999	3.0
255.02896	22.5
256.03699	4.8
257.04529	35.8
258.04901	2.3
269.04608	9.3
271.02420	8.5
271.06140	2.7
273.03876	5.0
280.06137	3.7
283.02524	17.7
284.03256	30.4
285.04007	30.2
285.29706	2.4
286.04211	4.1
287.05542	3.4
296.02829	3.9
296.05981	3.4
297.04010	39.3
298.04062	5.0
299.02094	4.2
299.05521	14.6
300.02505	5.8
300.05441	10.4
301.03461	43.5
302.03854	6.1
306.03925	2.4
313.03485	7.6
314.03217	4.2
314.06677	7.9
315.04739	2.5
323.04199	6.3
324.01712	3.1
324.05078	67.2
325.05533	3.7
326.03116	2.5
341.01590	4.2
341.05365	4.2
342.02380	13.8
342.06134	100.0
343.06366	6.1
366.06317	3.0
384.07278	3.0
447.09335	6.9
459.11264	5.7
461.13321	2.8
472.14465	7.4
487.11130	8.7
488.12701	2.9
489.11331	3.4
501.12427	2.4
514.15466	13.5
540.13611	62.3
541.13629	6.2
560.87610	2.1
565.15033	3.6
592.14410	10.1
605.14905	2.6
607.16119	2.7
609.14172	6.4
610.14709	2.8
622.17639	10.2
632.16168	66.9
633.16040	9.4
650.16315	70.4
651.15894	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	649.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79196	0.3
55.01673	0.9
57.03233	1.3
58.00376	1.0
59.01158	16.0
59.01492	2.9
61.98636	0.4
65.00129	0.3
69.03242	0.6
71.01152	17.3
71.01589	2.1
72.99093	1.4
73.02713	3.1
75.00645	1.4
75.01046	0.6
83.01153	2.4
83.04824	0.4
85.02712	7.9
85.03267	0.7
87.00643	2.1
89.02203	11.6
89.02812	0.9
91.01674	0.5
93.03224	1.4
95.01144	1.9
96.95767	2.9
97.02731	0.9
99.00640	2.1
99.04265	0.4
101.02204	13.5
101.02911	0.9
107.04837	0.5
108.01965	0.6
109.02694	1.0
110.52632	0.3
111.00653	0.5
111.04279	1.1
113.02332	8.8
113.03049	0.7
117.03249	0.5
119.01141	0.9
119.03258	3.8
119.04898	5.5
120.05185	0.3
121.02840	2.3
121.06434	0.5
123.00678	0.6
123.07973	0.7
124.01416	1.0
125.02356	2.5
131.03331	0.4
132.01923	0.6
133.02704	1.0
134.03502	1.4
135.02768	0.4
135.04393	2.0
137.02200	1.1
143.03207	0.4
145.02733	1.4
145.10068	0.4
147.00644	0.9
147.04326	0.4
148.01453	0.4
149.02347	10.0
149.04156	0.4
149.05907	0.4
149.99368	1.0
150.02899	1.6
151.00151	1.1
151.03789	0.6
152.00954	0.6
153.01694	1.1
159.02859	0.5
159.04242	0.4
160.01434	1.1
161.02388	3.3
161.04356	0.9
161.05789	0.4
162.02975	0.4
163.03891	5.4
164.04677	6.9
165.01662	0.9
165.05449	1.7
166.04967	0.4
167.03268	0.5
168.00584	2.1
169.01118	0.4
171.11617	0.8
173.04378	0.6
175.00294	6.6
175.03868	1.6
176.01062	4.1
176.04390	0.4
177.01767	0.6
177.05365	1.1
179.03262	1.1
179.06894	0.6
187.11136	0.4
188.13683	0.4
189.05534	1.9
189.12685	1.0
190.02638	18.0
191.03218	4.1
191.05354	1.5
193.01202	0.3
193.04887	0.9
195.06430	1.0
205.04997	18.6
205.12190	0.4
206.05209	0.5
207.06590	0.5
208.03551	0.7
209.04295	0.9
219.13748	0.6
221.04550	0.6
223.06059	4.9
224.06332	0.5
227.03123	0.3
237.14876	1.0
249.05908	0.7
255.02888	0.6
267.07022	1.3
269.04187	0.4
271.02255	0.6
281.08914	0.4
283.14429	0.4
285.04059	0.5
300.02441	0.4
301.03455	0.4
311.07751	0.7
323.07541	1.3
331.06702	2.7
332.06860	0.4
337.08972	0.5
351.10754	0.5
425.18164	1.7
443.19174	100.0
444.19522	8.5
474.12280	0.9
487.12323	3.0
487.18222	0.4
501.13995	0.4
517.19385	1.2
605.26465	0.6
649.25146	19.5
650.16003	0.6
650.26514	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	649.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26515	0.2
50.45477	0.2
55.01737	0.3
57.03310	0.5
59.01249	7.8
65.00201	0.2
69.03325	0.2
71.01248	3.5
71.06705	0.4
71.07057	0.2
72.99184	0.4
73.02820	1.6
75.00747	0.3
78.95798	0.2
81.03336	0.2
83.01258	0.7
85.02824	2.2
87.00751	0.6
89.02321	0.8
89.03842	0.2
91.01772	0.4
91.05414	0.8
93.03321	1.2
95.01260	0.5
96.95879	2.6
97.02824	0.2
99.00751	0.9
101.02310	2.1
107.04900	0.3
108.02032	0.4
109.02838	0.6
111.00758	0.3
113.02313	2.3
115.84338	0.1
117.03345	0.8
119.01273	0.9
119.03362	0.2
119.04910	1.1
121.02841	10.7
122.03173	0.2
123.04388	0.2
125.02352	0.5
132.02031	1.4
133.02777	0.2
134.03659	0.5
135.02882	0.2
135.04427	0.6
137.02357	0.6
143.03334	0.3
146.03508	0.2
147.00780	0.7
147.04402	3.7
149.02339	64.6
150.02675	2.2
151.00331	0.2
152.01038	0.8
153.01776	0.6
159.02965	0.4
159.04488	0.2
160.01549	0.8
161.02319	0.3
161.04457	1.4
162.03111	0.2
163.03926	1.2
164.04692	52.2
165.01868	0.5
165.05029	2.3
167.03369	0.3
168.69711	0.2
171.10127	0.3
173.04419	0.3
175.00282	5.2
175.03900	0.6
176.00859	0.2
177.01717	0.2
179.05464	0.3
179.07036	5.7
190.02637	10.2
191.03058	0.5
191.05623	0.3
191.07385	0.2
193.01367	0.6
193.04948	0.6
201.11275	0.5
202.11595	0.2
205.04994	12.3
206.05331	0.8
208.03708	1.6
209.11761	0.6
210.12112	0.3
223.06062	100.0
224.06392	5.2
266.02148	0.8
269.10223	1.2
270.05621	0.2
281.04510	0.6
282.46967	0.2
285.04004	0.6
311.11230	0.2
315.07388	0.2
368.47723	0.2
383.13440	1.4
401.14487	0.8
425.14709	0.5
429.17593	0.2
443.15396	1.3
444.16281	0.2
548.97882	0.2
649.21289	0.9
649.30804	0.8
649.38593	0.2
650.21240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63437	0.3
55.75881	0.3
59.01244	3.5
63.02283	0.5
69.03331	0.4
71.01244	2.2
72.99162	0.3
73.02805	0.6
75.00725	0.4
78.95765	2.6
79.95612	3.3
83.01285	0.4
85.02782	1.3
87.00727	0.4
89.02322	1.0
93.03355	0.7
96.95884	100.0
97.95827	0.4
98.02357	0.7
98.20652	0.5
99.00753	0.7
101.02335	1.0
102.23793	0.3
107.01273	0.6
109.02808	0.8
109.67368	0.2
113.02325	1.6
117.03352	0.6
119.04889	0.5
121.02898	0.3
123.00819	0.3
124.01487	0.3
125.02311	0.8
132.02042	0.4
133.02876	0.6
134.03604	2.3
135.00761	0.6
135.04410	1.2
137.02321	1.1
149.02382	1.6
149.04543	0.4
150.03128	1.9
151.00240	1.1
152.01025	0.7
152.92874	0.3
153.01805	1.7
160.01576	0.8
161.02335	0.7
163.03851	0.4
164.04655	1.0
165.01833	1.1
165.05423	1.7
173.04399	0.3
175.00247	0.3
175.02495	0.3
175.03903	0.9
179.03333	0.3
179.06969	0.3
180.04172	1.1
181.04955	0.3
183.04419	0.4
183.06578	0.3
190.02594	0.9
191.05475	1.0
193.04947	2.3
195.06564	3.2
205.05028	0.7
223.06047	1.0
227.03391	0.6
249.06082	0.3
255.02945	24.7
256.03522	2.3
267.07285	0.6
268.03708	1.3
269.04529	10.6
270.04922	0.7
281.04514	0.6
283.02454	10.7
284.03232	28.8
285.03787	3.9
297.03986	5.5
298.04764	5.5
299.05573	40.4
300.05801	2.2
313.03406	0.5
341.06546	0.4
429.08295	0.9
472.45389	0.3
589.15588	15.5
590.15930	1.4
605.15137	4.0
607.16632	14.4
608.16974	1.4
649.17249	12.0
650.17401	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	649.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.9
63.02284	0.8
65.00217	0.3
69.33271	3.2
72.99204	0.4
73.02834	0.4
83.01269	0.8
85.02810	0.7
87.00767	0.4
89.02321	0.4
93.03325	0.3
93.17580	0.4
96.95891	1.3
99.00790	0.4
107.01299	1.0
113.02310	0.6
119.04902	0.3
119.37105	0.3
121.02845	0.5
123.00767	0.4
125.02338	0.4
132.02080	0.7
133.02855	0.7
134.03629	1.1
135.04401	0.7
137.02399	0.4
149.02319	1.1
151.00294	1.8
151.03896	0.4
152.01102	0.5
153.01924	0.4
160.01500	0.4
163.03897	0.6
163.75142	0.3
164.04701	0.6
169.01337	0.4
171.90015	0.3
175.03943	0.7
179.03432	0.6
183.04465	0.5
187.03963	0.4
190.02640	0.4
191.05574	0.3
195.06598	0.5
200.04727	0.5
205.04991	0.8
211.04016	0.8
223.06061	0.9
227.03383	0.7
255.02956	43.6
256.03534	5.0
257.04074	0.4
267.07239	0.5
268.03760	1.2
269.04556	4.7
270.04678	0.5
282.99884	0.3
283.02463	17.1
284.03244	85.7
285.03821	11.6
286.04321	0.5
297.04037	12.2
297.07062	0.5
298.04770	8.7
299.05591	100.0
300.05936	5.8
313.03555	0.7
326.83426	0.3
339.04681	0.6
385.30151	0.3
470.08572	0.4
485.10794	0.7
488.10077	0.4
489.10397	0.6
589.15643	2.1
607.16681	6.0
608.17053	0.4
649.17664	74.0
650.17969	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	649.1441
Annotation	Malonylapiin
Peak:m/z	Relative Intensity
59.01250	0.8
71.01238	0.4
71.58965	0.3
76.28053	0.2
77.32271	0.2
78.95772	1.6
79.95607	2.8
85.02840	0.2
87.00728	0.1
89.48918	0.2
96.95884	100.0
96.96885	2.5
97.95803	0.2
98.02351	0.3
109.02893	0.2
113.02322	0.3
130.68167	0.2
135.00792	0.4
135.04463	0.3
137.02313	0.3
149.02347	0.4
150.03154	0.2
151.00256	0.2
153.01833	0.9
160.72763	0.2
161.02399	0.2
164.04808	0.2
165.01900	0.2
165.05493	0.2
168.32619	0.2
175.03967	0.3
190.02718	0.3
191.05504	0.2
195.06573	0.3
205.04988	0.2
223.06081	0.2
255.02942	2.9
256.03391	0.4
269.04550	0.9
283.02487	0.8
284.03241	4.0
285.03983	1.0
285.06793	0.2
297.04034	0.6
298.04813	0.4
299.05591	4.3
300.05875	0.3
315.45273	0.2
465.17801	0.2
498.56607	0.2
537.48315	0.2
589.15839	2.0
607.16443	1.6
649.16650	1.3
677.33618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60252	1.9
59.01248	20.6
60.15810	1.4
71.01255	13.6
71.06688	2.6
71.07016	2.6
71.60825	1.4
72.99171	3.8
73.02810	2.7
75.00741	7.2
78.63362	1.6
83.01282	3.3
85.02814	16.9
87.00739	5.3
89.02311	6.2
89.67619	1.4
91.04218	1.4
93.03325	7.0
95.01250	4.6
96.95878	13.5
99.00748	5.2
101.02316	5.7
103.00229	1.7
104.06866	1.6
108.02083	2.5
109.02837	6.4
111.00792	1.8
113.02309	18.5
117.03328	10.2
119.04891	3.4
121.02870	2.4
123.00803	1.6
123.04436	2.6
125.02358	3.8
133.02838	2.5
135.04419	8.9
137.02321	4.1
147.04373	2.7
149.02286	4.0
149.05963	4.3
149.19843	1.4
150.03165	1.9
151.03868	4.4
152.01027	2.6
153.01816	4.2
160.01578	2.1
161.02356	16.2
161.05881	2.7
163.03891	5.9
166.02583	1.6
168.00575	1.9
173.04477	2.3
175.02435	2.9
175.03905	5.9
177.01872	2.1
177.05435	3.1
179.03424	3.0
189.01717	1.5
189.05458	5.1
191.03381	2.8
191.05515	6.7
193.04985	2.6
201.05458	1.6
203.03571	3.2
205.05009	2.0
205.06982	1.7
221.04367	2.0
231.06583	4.2
233.04500	2.9
242.59665	1.5
245.04427	2.2
249.06183	5.0
267.07138	45.2
268.07318	3.0
275.05756	1.8
281.04379	2.1
282.05313	4.9
283.06088	8.8
291.07129	6.2
293.04633	2.9
295.06128	10.6
296.06839	8.3
297.07617	32.9
298.08102	2.5
307.06000	6.0
309.07632	5.7
311.05667	8.7
314.04535	1.9
318.08176	1.5
323.05518	9.0
324.06216	2.1
325.07144	15.4
326.07437	1.6
328.05984	7.8
335.06015	10.4
337.07166	6.8
341.06546	2.9
351.04916	2.0
353.06610	59.3
354.07043	5.3
355.07846	3.0
356.04803	2.0
365.06635	17.6
366.06699	2.4
367.08331	2.0
381.06174	2.7
383.07648	69.3
384.07867	7.5
395.07648	7.9
407.07867	3.0
413.08719	15.4
425.08722	11.5
443.09750	50.5
444.09998	3.9
455.09998	6.3
461.09799	1.6
473.10803	11.2
485.10764	2.8
515.11938	11.9
527.12085	2.7
545.13116	9.1
563.14178	13.5
587.13824	2.3
605.15027	100.0
606.15570	16.8
649.16565	6.6
650.16846	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	647.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28642	1.1
57.03308	2.1
58.54103	1.1
59.01252	25.6
61.98693	2.5
69.03317	2.2
69.74512	1.2
71.01254	14.9
71.59247	1.2
71.59622	1.4
72.99178	2.6
73.02818	3.9
83.01271	3.1
85.02821	7.1
87.00726	2.6
89.02321	6.4
89.03843	1.3
93.03326	2.3
93.50744	1.1
95.01264	2.6
96.95872	4.3
99.00755	3.0
101.02325	7.3
106.06483	1.7
107.01254	1.8
108.02038	2.3
109.02834	4.6
113.02330	8.0
113.87991	1.1
117.03345	5.0
119.04924	3.5
121.02811	2.5
121.22891	1.3
122.06019	3.4
123.00745	1.7
124.01556	2.2
125.02309	3.5
128.81258	1.2
132.02060	25.9
133.02824	5.1
133.04872	1.3
134.03629	63.3
135.04341	4.3
136.07585	2.2
137.02322	5.4
139.00299	1.5
139.03893	1.5
141.04114	2.9
143.37941	1.3
145.02888	1.6
147.04388	2.1
149.02338	2.1
149.05981	9.9
149.99461	1.5
151.00299	8.1
151.03889	1.3
151.07617	1.5
152.01134	3.4
153.01820	3.7
153.09056	2.1
160.01567	93.3
161.02106	5.3
161.04501	1.9
163.03888	3.2
163.06033	1.7
164.04669	2.6
164.98160	1.5
165.01982	1.3
165.12744	2.3
171.10153	1.7
173.04523	2.0
175.03917	100.0
176.04301	4.1
177.01801	2.0
179.03441	2.8
179.05534	1.5
187.11172	3.7
190.02669	4.4
191.05527	3.3
193.04984	100.0
194.05357	4.9
201.11256	9.8
205.04974	4.2
209.11777	9.8
223.06110	3.4
227.12959	3.0
235.06097	1.6
249.90434	1.2
253.09355	1.8
267.11371	2.2
268.03772	1.5
269.04492	3.6
271.02277	1.3
285.04089	1.6
291.11664	1.8
315.07516	1.6
330.03766	3.6
337.10699	2.2
338.11102	3.6
339.12027	9.6
345.06094	5.0
508.39395	1.4
571.23938	2.2
573.23584	3.6
603.24414	62.9
604.24677	11.5
646.37189	1.5
647.27533	6.7
647.37408	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	647.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97612	0.3
54.51435	0.3
57.03325	0.4
57.60194	0.3
59.01251	2.9
61.98705	0.5
63.02261	2.6
65.00196	8.9
68.99688	0.4
70.09607	0.3
71.01254	1.7
73.02813	0.5
81.03335	0.5
83.01254	5.8
85.02820	0.8
87.00739	0.6
89.02251	0.4
93.03351	0.9
95.01279	0.5
96.32650	0.3
96.95910	0.8
97.02835	0.9
98.02345	0.4
98.20556	0.8
99.00802	0.4
101.02329	0.6
106.04113	0.9
107.01270	13.6
108.01487	0.4
108.02119	0.4
109.02873	0.6
110.02383	0.7
111.04427	0.7
113.02298	0.7
119.04901	0.5
120.08102	0.3
121.02910	0.7
122.05975	0.3
124.01546	0.4
125.01566	0.3
125.02320	1.9
131.01280	1.1
132.05698	7.8
134.03607	0.7
135.00777	0.4
135.04359	0.4
137.02324	1.1
140.42535	0.3
141.01659	0.5
149.02324	1.0
151.00272	44.8
152.00685	1.3
152.03368	0.5
153.01714	0.3
159.33617	0.3
161.04572	0.3
161.09628	3.2
163.03897	0.9
164.01083	0.4
164.04688	5.2
165.01845	2.4
169.01346	3.7
171.10229	0.4
174.05605	0.4
175.00284	3.1
175.04004	0.5
177.01826	2.7
179.03424	0.5
187.11203	27.6
188.11574	1.8
189.09132	0.4
190.02719	0.4
193.01311	1.7
193.05028	0.6
201.11261	0.9
205.04990	0.6
209.11726	0.9
211.11182	0.3
213.09163	0.9
227.12772	0.3
229.09827	0.5
229.12158	0.3
229.29218	0.3
253.12244	0.7
255.10269	1.2
257.13028	0.5
273.12457	0.6
278.12665	0.3
279.11572	0.3
295.13535	0.7
301.11932	1.1
319.13037	2.3
321.11383	0.4
327.13565	0.5
339.12344	100.0
340.12698	10.4
363.12332	2.0
381.13461	1.7
414.14478	0.6
446.17032	0.4
459.11459	1.0
529.24536	0.9
530.24622	0.3
553.24469	0.9
571.25702	1.9
572.25732	0.5
615.24329	2.0
619.27710	0.3
638.29895	0.3
647.23334	4.8
648.25092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79761	1.1
56.71447	1.2
57.03328	3.0
59.01249	19.9
61.98714	1.6
69.03331	1.5
70.73531	1.2
71.00932	1.4
71.01259	12.9
72.99155	1.7
73.02802	3.6
73.80873	1.1
75.00771	3.1
80.02527	1.5
81.03342	1.8
83.01238	2.2
83.04881	5.0
85.02824	8.4
87.00742	2.4
89.02312	7.7
93.03331	4.5
95.01257	2.2
96.95876	3.9
97.00336	1.3
97.02874	1.8
98.19807	4.1
99.00754	1.7
101.02316	9.9
102.05481	2.2
108.02094	1.1
109.02801	2.1
111.01904	2.6
113.02315	8.2
117.03330	4.3
119.04945	2.3
121.02832	1.8
125.02310	3.4
125.09607	3.9
127.11172	5.9
132.02078	8.3
133.02803	2.2
134.03632	48.9
135.04410	2.7
137.02271	3.2
137.09583	1.4
139.00275	1.3
139.11160	1.6
141.01720	3.5
145.02852	2.3
149.02361	2.4
149.05992	3.9
150.03149	1.5
151.00211	1.5
151.03889	2.3
151.07437	1.7
152.01044	2.1
153.01868	2.7
155.03307	1.6
155.10670	1.5
160.01578	38.8
161.02132	2.3
161.04437	3.6
163.11145	2.5
164.04602	1.9
165.01764	1.7
165.09161	2.5
165.12717	2.3
168.00490	1.7
171.10165	2.3
173.04489	2.4
175.03914	47.3
176.04283	2.6
177.01904	1.5
178.02776	1.6
179.03467	2.7
190.02580	3.3
191.05528	4.8
193.04984	54.0
194.05363	3.2
195.06659	1.5
199.09666	2.1
201.11250	100.0
202.11623	3.0
205.04961	3.5
205.12253	2.0
209.11761	92.4
210.12097	3.8
223.13438	1.4
227.12880	10.6
235.08194	4.4
253.09241	20.1
285.03940	1.5
291.58920	1.5
304.40259	1.3
308.11670	1.5
383.24249	1.9
393.22916	2.2
437.20148	1.9
492.17300	1.8
543.22375	3.8
603.24432	37.8
604.24689	5.2
615.24164	2.1
646.35809	3.3
647.26978	4.5
647.37421	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	645.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59682	2.0
57.03312	2.3
59.01243	26.0
61.98698	7.9
69.03337	2.3
69.09167	2.2
71.01254	16.6
71.58280	3.0
71.58669	2.7
73.02814	7.0
73.78158	2.0
75.00757	2.1
81.03328	2.0
83.01273	2.5
83.04890	3.4
85.02807	13.2
88.98669	2.5
89.02308	5.3
92.77612	2.6
93.03368	2.8
95.01236	3.2
96.95860	10.0
97.02884	2.1
98.01137	2.0
98.95509	2.3
99.00742	4.4
101.02320	10.5
109.02818	3.6
110.06004	2.8
113.02325	6.8
118.94901	1.9
119.04919	2.4
121.05283	2.5
122.06017	10.7
123.04391	3.6
123.08054	2.2
124.63226	2.3
125.02351	5.5
133.02840	2.3
134.05978	3.0
135.04405	6.7
137.02333	4.9
149.02365	2.9
152.01024	5.6
153.01790	5.9
153.09094	3.0
157.58293	1.8
161.02245	2.1
161.04494	3.2
163.03944	5.3
163.11250	2.4
168.00500	2.2
171.10164	3.0
175.03824	2.2
183.13716	2.1
187.11110	4.1
189.12804	9.4
190.02486	2.6
191.05539	3.3
193.04788	2.3
197.11800	2.8
199.07535	3.0
199.09636	6.1
199.13344	13.3
205.04973	2.6
205.12099	2.2
209.11766	21.9
213.06654	2.4
213.10196	3.1
215.10643	16.2
223.06235	2.2
223.08696	3.1
224.09311	2.6
227.12828	5.4
228.13005	1.9
233.11787	5.8
235.08488	2.8
237.10326	6.4
239.11887	8.6
250.07396	3.6
251.08205	5.0
253.09337	2.4
257.12897	5.0
263.08356	5.1
264.09045	20.6
265.09796	12.3
269.04639	2.9
277.09869	3.1
278.10489	2.0
283.10654	2.2
284.03455	2.2
285.03986	4.3
296.11725	3.8
301.11963	6.6
304.08536	2.2
304.38510	2.3
311.09531	2.1
328.10892	3.4
330.12350	4.7
342.12381	4.8
343.13196	6.7
344.14053	9.7
351.13571	6.0
358.15656	8.9
359.16290	3.1
360.17072	3.7
370.11771	3.4
371.12662	6.1
372.13373	18.8
372.16711	1.8
383.16223	2.9
384.13449	4.7
384.17728	2.0
385.14172	7.0
386.15076	42.9
387.15433	5.5
398.14914	3.9
400.16684	5.2
404.16275	2.7
416.16037	3.9
418.17715	34.7
419.17825	3.0
426.14764	2.8
430.17676	2.5
458.17343	2.5
472.18777	3.0
494.22845	4.4
504.14816	2.3
504.21262	11.8
505.22354	18.2
506.22708	11.6
524.24121	6.6
537.21008	28.2
538.21582	4.8
558.24854	5.7
559.24652	2.8
583.25348	3.4
595.24121	2.0
609.28784	2.4
613.25903	7.2
615.28387	8.4
627.28320	22.9
628.27899	4.7
645.29327	100.0
646.29419	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	643.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03256	0.3
56.05466	0.4
57.03325	0.4
59.01252	5.9
63.54326	0.4
66.47128	0.3
69.03329	1.2
70.60107	0.6
70.60454	0.8
71.01247	4.2
71.04845	0.4
72.99183	0.5
73.02806	0.9
80.02561	1.0
81.03333	1.5
82.62260	0.3
83.01270	0.5
83.04885	5.1
83.05301	0.5
83.94595	0.4
84.02040	0.4
85.02821	1.5
87.00744	1.0
89.02316	2.6
93.03365	0.6
95.04919	0.7
96.95907	1.9
97.02836	0.6
97.06446	0.4
98.95489	0.5
99.00793	0.5
101.02311	3.8
108.02045	0.5
109.02846	0.8
109.06493	0.7
113.02296	2.0
119.03374	0.5
123.00777	0.4
125.02371	0.9
125.05993	0.5
125.09616	0.8
127.03864	0.6
134.03601	0.4
135.08070	0.7
137.02330	0.4
139.07542	0.6
143.03458	0.4
153.09270	0.4
153.12723	1.1
161.02399	0.5
161.04448	1.7
163.11172	2.9
165.05450	0.4
165.12788	2.1
167.10753	0.5
169.12238	6.1
171.10080	1.8
173.63669	0.4
179.05489	0.8
179.10663	0.8
181.12257	0.7
185.11714	0.8
190.02710	0.5
191.05444	0.6
191.10703	1.0
197.11748	100.0
198.12100	5.2
199.13298	1.5
201.11212	2.1
205.05037	0.6
207.10027	0.6
209.11754	89.3
210.12094	4.3
211.13397	2.4
212.13576	0.8
215.12720	0.4
223.13405	2.0
227.12830	13.6
228.13165	0.8
235.08171	3.5
235.13373	1.6
253.09254	12.0
284.02979	0.5
285.04007	0.7
371.22284	0.5
389.23328	0.9
407.24353	0.8
415.19391	0.4
433.20837	3.0
445.20703	1.4
475.41916	0.4
548.09918	0.4
607.30817	1.0
625.32977	1.0
643.37714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.9
60.17277	2.0
60.23866	1.9
67.01779	2.4
68.07149	1.9
69.03307	4.8
69.41909	12.0
69.42314	5.6
70.05903	2.3
71.01237	4.5
77.22224	2.2
78.95763	1.9
85.02798	4.0
89.51627	1.9
91.24620	2.0
93.03311	6.2
95.01247	2.8
96.95863	3.4
97.02834	3.4
106.51213	2.1
107.01257	2.3
108.02022	6.0
109.02789	3.0
111.00723	2.8
123.00793	10.3
123.04427	5.2
124.01532	19.2
125.02334	36.2
137.02301	5.4
138.71906	2.0
149.99481	35.2
151.00217	4.2
152.01019	7.5
153.01790	6.0
167.03413	17.6
168.00543	53.4
169.01239	6.5
191.05565	17.2
209.11838	2.9
279.06522	2.7
311.07639	6.3
481.09756	13.0
643.15033	100.0
644.15521	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	643.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	13.3
71.01251	17.7
71.44249	8.1
81.03322	24.9
83.01243	27.7
85.02843	12.3
87.00726	11.0
93.03324	29.3
95.58765	7.2
96.95872	9.9
97.02829	12.6
101.02330	9.2
107.01289	9.8
107.04942	8.4
109.02810	29.8
111.00788	13.8
111.04397	9.4
113.02303	11.5
117.03334	8.1
119.04942	12.7
121.02824	24.1
123.00765	9.8
123.04404	46.7
124.01577	7.5
125.02353	44.8
131.04910	7.8
132.38295	6.9
133.02802	9.5
135.04384	15.7
137.02319	36.7
137.05952	12.4
139.03891	20.7
141.01767	8.0
147.04379	10.1
149.02338	29.6
150.03090	12.5
151.03922	24.4
153.01851	32.0
155.03394	10.7
161.02359	16.6
163.00269	16.0
163.03909	19.7
165.01820	23.1
165.05487	11.5
167.03406	52.0
173.04474	9.4
175.03868	15.2
177.01817	38.0
178.02492	8.0
179.03424	47.5
180.04149	16.5
181.01309	9.6
181.04927	7.6
183.02888	8.7
189.01866	11.1
189.05489	9.1
191.03381	42.8
191.05537	20.7
192.04239	8.3
193.01317	26.6
193.04926	9.3
195.02904	40.8
197.04462	9.1
201.11205	14.7
203.03476	13.6
205.01416	19.9
205.05022	9.0
205.72433	7.0
206.01956	9.1
207.02931	41.2
209.04465	76.8
213.05626	8.0
219.02872	50.7
221.00896	23.5
221.04472	18.6
223.02402	18.5
225.04005	15.1
229.04979	7.0
235.02449	53.3
237.03886	14.0
239.05455	34.8
243.06589	7.3
247.02498	18.8
249.04024	31.1
251.01956	16.5
253.03409	11.5
265.03537	25.0
271.05972	8.7
277.03479	17.4
279.05099	12.8
282.05521	8.7
283.06213	8.5
295.04544	15.3
296.06912	11.4
297.07626	26.9
299.05389	14.4
303.07199	14.1
311.05411	10.4
313.07217	8.4
322.83533	7.6
323.05637	9.0
325.07288	8.6
329.08823	21.9
341.06598	24.6
353.06534	44.4
355.06903	14.1
357.05936	10.3
358.06564	7.9
367.06583	8.3
369.06097	27.4
371.07755	17.4
383.07233	22.0
385.05692	30.6
386.08014	10.3
399.07281	15.0
411.07880	7.5
415.06522	20.2
449.12527	25.2
459.09375	10.8
461.10861	20.7
473.10992	21.6
477.10898	8.2
487.10999	47.2
488.11011	9.6
489.10300	18.1
493.09854	33.9
505.09949	67.4
506.10715	41.5
523.10809	24.2
569.14923	12.0
593.15125	90.3
609.14313	50.9
625.13983	25.5
626.14630	24.7
643.14801	100.0
644.15277	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	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.2
58.00473	0.2
59.01248	1.8
62.15668	0.1
69.03327	0.3
69.60212	0.7
71.01251	1.7
72.99178	0.2
73.02813	0.3
75.00739	0.1
83.01238	0.2
83.04884	0.3
85.02816	0.4
87.00748	0.4
89.02311	1.3
95.01236	0.2
96.95900	0.1
97.02866	0.1
97.06470	0.1
98.19780	0.2
99.00707	0.1
101.02330	1.4
106.25310	0.1
111.08012	0.2
113.02321	0.8
119.03385	0.3
125.02306	0.2
133.04968	0.1
136.07562	0.1
143.03375	0.2
145.04884	0.1
155.10710	0.2
156.72514	0.1
158.27928	0.1
161.04474	0.7
163.11197	0.1
165.12726	0.3
167.10678	0.2
167.14337	0.5
169.12318	0.2
171.10216	0.3
175.11183	0.2
179.05499	0.2
183.13832	7.0
184.14195	0.4
185.95419	0.1
193.12283	2.1
197.11769	0.3
201.11227	0.2
207.10136	0.2
211.13341	100.0
212.13676	5.4
213.14911	0.2
229.77504	0.1
235.08194	1.5
253.09286	3.9
254.09691	0.2
309.20587	0.3
344.36243	0.1
387.25418	0.7
398.99500	0.1
399.78055	0.2
405.26437	0.4
429.21356	0.8
447.22388	4.5
448.22690	0.3
597.33325	0.2
623.34045	0.7
641.35590	0.3
644.11682	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	641.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84476	0.1
52.59567	0.1
55.01768	0.2
59.01240	1.8
69.03330	0.3
70.86994	0.4
71.01250	1.6
73.02792	0.3
80.31632	0.1
83.01242	0.2
83.04893	0.3
85.02818	0.6
87.00732	0.3
89.02306	0.9
96.95911	0.2
101.02319	1.6
111.08041	0.1
113.02322	0.9
119.03343	0.3
128.45309	0.2
143.03383	0.2
145.04982	0.2
148.52341	0.1
155.10690	0.3
161.04483	0.7
165.12726	0.3
167.10695	0.4
167.14334	0.7
171.10194	0.2
179.05605	0.2
181.12276	0.3
183.13823	6.3
184.14191	0.3
193.12260	1.9
197.11661	0.2
199.13287	0.6
207.10112	0.2
209.11848	0.1
211.13321	100.0
212.13664	5.6
223.13264	0.2
225.11290	0.6
235.08185	1.5
253.09247	4.5
254.09483	0.2
265.11313	0.1
309.20679	0.4
341.23083	0.3
387.25293	0.6
398.74661	0.2
405.26407	0.5
429.21246	0.5
447.15979	0.2
447.22318	4.6
448.22742	0.3
460.80240	0.1
623.34357	0.8
641.39490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.6
69.03317	0.4
70.82660	0.2
70.82993	0.2
71.01253	1.7
72.99168	0.1
73.02810	0.3
83.01245	0.1
83.04897	0.2
84.44382	0.1
85.02820	0.5
87.00751	0.3
89.02314	1.1
95.01272	0.1
99.00774	0.2
101.02340	1.4
113.02310	0.6
119.03388	0.2
145.04953	0.2
151.49191	0.1
155.10663	0.2
161.04456	0.6
165.12756	0.1
167.10655	0.2
167.14340	0.7
175.11269	0.1
179.05528	0.3
181.12196	0.1
183.13828	6.6
184.14064	0.3
193.12277	1.6
211.13336	100.0
212.13678	5.6
235.08176	1.6
253.09282	3.8
254.09518	0.2
357.43808	0.1
387.25424	0.6
405.26505	0.4
429.21124	0.6
447.22357	4.4
448.22784	0.5
623.34149	0.9
624.34381	0.2
641.35938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.2
68.90945	2.3
69.03320	2.1
71.01248	7.5
95.04896	32.5
103.91906	12.0
104.92695	9.5
162.83833	4.1
169.20808	2.5
183.13818	7.2
195.13782	3.1
199.13269	2.6
209.11656	4.6
210.12175	2.7
211.13332	100.0
212.13550	5.3
223.13272	11.8
225.11226	3.7
253.09210	4.0
253.40288	2.1
275.03900	2.1
277.05222	12.9
279.06836	45.6
293.04675	7.2
293.21265	5.0
311.05884	6.1
380.12769	3.7
381.18149	2.3
417.20938	6.2
447.22345	3.2
503.20917	9.4
524.33130	2.8
534.19324	3.2
554.27271	7.5
571.27692	4.6
572.27686	22.1
573.28210	2.6
586.25781	10.5
604.27051	51.3
605.27515	6.9
641.34967	53.5
642.35394	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	641.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.9
59.01250	11.5
61.98680	0.7
65.00233	0.7
67.01763	1.0
68.29714	0.6
68.99673	0.8
69.03324	1.6
71.01252	14.0
71.04880	1.5
71.58623	1.1
72.01536	0.9
72.95679	0.6
72.99178	5.8
73.02807	3.6
75.00745	14.2
76.11068	0.6
81.03295	0.7
83.04887	1.1
85.02821	15.0
85.06415	0.6
87.00749	5.8
87.04385	5.1
89.02307	3.7
93.03332	1.8
95.01250	4.3
96.95893	0.9
97.34573	0.6
99.00742	8.3
101.02296	1.9
103.00247	1.5
107.01288	0.9
108.02026	1.0
109.02802	2.3
111.00748	1.1
113.02329	14.8
115.00253	2.0
115.80774	0.8
117.01811	2.0
120.85907	0.6
121.02812	1.0
123.04408	1.0
125.02334	3.2
125.09608	1.3
129.01826	2.2
134.03616	0.7
136.01527	0.8
137.02333	1.0
143.10654	0.8
151.00250	1.4
151.03947	1.1
152.01007	0.9
155.10651	0.8
161.02321	0.8
169.12239	4.6
171.10167	7.6
173.04449	1.0
175.02365	2.0
175.03833	1.1
177.01857	1.0
185.11702	1.0
187.13297	0.8
191.05463	1.9
193.01216	0.6
249.06100	8.9
267.07181	1.7
285.04114	4.0
327.05099	1.4
327.21768	1.1
345.22766	2.4
355.25168	1.3
373.25903	6.7
389.25394	1.3
391.26971	54.6
392.27368	5.7
447.09235	0.9
483.38983	0.8
641.33862	100.0
642.34088	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	641.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	19.6
59.01247	73.0
60.01594	0.9
61.98696	3.0
69.03314	1.4
69.24064	7.1
69.24467	1.4
71.01249	11.6
72.99165	2.6
73.02811	2.9
75.00728	2.6
78.95755	1.0
79.26440	0.7
79.95602	2.6
80.96394	5.1
81.03331	1.7
83.01254	2.4
83.04922	0.9
85.02822	6.7
87.00744	3.4
88.98669	1.1
89.02318	2.8
93.03316	2.5
94.97931	1.5
95.01250	1.8
96.95871	3.1
97.02800	1.2
99.00745	1.9
99.04389	21.2
99.65673	0.8
101.02312	11.4
103.43641	0.7
108.02062	1.6
109.02831	4.3
109.06447	0.9
113.02326	7.3
119.03346	1.2
119.04915	1.7
121.02801	2.0
123.00724	1.9
123.04421	4.0
124.01515	1.8
125.02330	25.7
129.01842	1.0
132.02081	0.8
133.02861	1.5
134.03629	3.9
135.04369	2.7
137.02364	4.6
139.03940	1.2
141.01732	1.1
141.04065	2.9
143.03386	2.3
149.02339	3.0
149.05893	1.0
150.02974	0.8
151.00304	0.8
151.03906	2.1
152.01039	2.6
152.98500	0.9
153.01807	3.0
160.01576	2.0
160.24184	0.6
161.02269	2.6
161.04428	2.7
163.03889	2.9
164.04662	1.4
164.98544	0.9
165.01813	4.6
165.05463	1.3
166.02357	0.7
167.03389	1.6
168.00587	1.2
173.04492	1.5
174.01573	2.9
175.00232	0.8
175.03879	4.7
178.02443	0.9
179.03386	2.8
180.04170	3.0
181.05031	1.0
190.02620	3.4
191.03310	0.8
191.05511	1.9
193.05025	4.1
193.08601	1.3
195.06494	3.6
205.04976	3.1
209.11758	1.6
223.06036	2.5
225.00714	1.8
225.07591	5.5
225.11095	0.9
249.06174	1.2
269.04388	2.2
270.05197	0.9
270.20865	0.9
281.08765	2.1
284.03473	1.7
285.04178	4.1
289.07065	1.7
301.03439	1.6
302.03647	0.9
303.08798	2.1
305.08771	4.4
335.22244	100.0
336.22482	10.3
337.09256	0.8
349.23782	4.3
371.14929	4.4
479.33841	1.0
497.27396	1.2
505.17255	0.8
533.26788	0.9
597.32965	1.9
641.29236	12.7
642.29425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.3
57.03316	5.0
59.01247	17.1
68.99686	1.7
69.03303	1.1
71.01249	19.4
71.57393	0.8
71.57772	0.9
72.99178	6.6
73.02821	2.9
75.00739	15.1
81.03342	1.7
82.06521	0.8
83.01247	4.8
85.02818	19.4
87.00750	7.5
89.02302	4.0
90.07397	0.7
93.03341	3.0
95.01264	5.2
96.95934	0.9
97.00293	0.9
97.02834	1.0
98.01105	1.0
99.00761	9.9
99.01856	9.6
101.02305	3.6
103.00210	1.6
108.02048	1.5
109.02846	1.7
111.00768	2.6
111.01907	2.7
111.04384	0.8
113.02328	19.7
115.00253	1.9
117.01810	1.8
117.08069	0.7
119.04959	1.2
120.01153	0.7
121.02818	4.2
122.03617	5.1
123.04427	4.0
124.01505	1.9
125.02330	45.1
126.02673	0.8
129.01817	2.1
133.02841	1.8
134.03633	2.4
135.04430	4.8
136.05215	7.6
137.02339	1.8
137.05962	0.8
139.02509	2.8
139.03911	1.0
140.03290	8.4
141.04074	100.0
142.04472	1.6
145.02806	0.9
146.03618	0.9
149.02339	9.9
149.05954	1.2
150.03122	38.6
151.03917	8.9
151.07503	1.0
153.01784	0.9
157.01289	1.5
161.02324	1.7
161.04453	1.2
163.03926	0.9
164.03413	0.7
164.04698	3.1
165.01790	1.9
165.04225	1.2
165.05470	32.6
166.05830	1.1
167.03384	1.2
167.12306	0.7
171.03015	0.8
173.04495	1.1
175.02411	3.9
175.03818	0.9
176.00990	1.1
177.01875	0.9
179.03346	0.8
179.07042	2.2
180.04214	3.1
181.04980	2.8
181.71407	0.7
191.03812	1.1
191.05498	6.5
193.05054	0.8
195.06560	25.1
196.06874	1.1
199.13190	0.9
207.10269	1.1
208.02287	3.3
209.03003	2.0
225.11272	2.6
231.05022	1.7
243.12254	1.4
249.06102	20.1
249.08525	1.5
249.92026	0.8
250.06314	1.3
257.04575	0.9
267.07172	12.3
269.10190	1.2
283.06067	1.0
283.09329	1.0
287.07742	0.9
303.09448	65.7
304.09705	3.5
311.09174	2.6
317.06924	1.0
337.09061	1.5
341.10291	0.9
343.11847	8.6
371.08408	34.7
372.08679	2.9
391.13937	2.3
407.08136	0.8
422.11444	0.7
444.12637	11.6
445.13089	2.9
449.08749	2.3
479.11847	14.6
480.12155	1.1
623.19720	8.3
624.19720	1.5
641.20551	83.5
642.21167	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	641.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40048	1.0
57.03321	2.7
59.01250	21.2
67.01743	1.2
68.99675	3.1
69.03315	2.1
69.62851	1.0
71.01247	22.7
71.57631	1.2
72.99180	8.6
73.02807	2.7
75.00747	19.6
75.61906	1.2
81.03304	1.2
82.39097	0.9
83.01254	1.8
85.02821	20.1
87.00751	10.7
89.02306	5.9
93.03320	3.4
95.01264	4.9
96.95866	2.0
97.02834	1.4
99.00758	13.5
99.01858	1.4
101.02307	3.1
103.00243	2.5
108.02052	1.3
109.02821	3.1
111.00776	2.9
113.02321	21.9
115.00243	2.4
117.01801	2.7
119.04905	1.9
121.02834	6.1
122.03610	2.3
123.00829	1.2
123.04395	3.5
124.01538	1.4
125.02343	5.5
129.01797	2.4
133.02837	3.0
134.03668	2.0
135.04440	6.4
136.01535	1.9
136.05199	12.2
137.02315	2.6
137.05963	1.8
139.00258	2.5
139.11200	1.4
140.03253	1.2
141.04073	13.4
145.02858	1.9
149.02322	12.5
149.05997	2.3
150.03127	33.4
151.00285	1.3
151.03912	8.0
151.07498	1.1
153.01855	1.9
156.00394	1.1
157.01419	1.3
160.01620	1.2
161.02304	2.2
163.03864	1.5
164.04639	3.2
165.01811	1.7
165.05460	18.8
167.03362	1.4
168.00520	1.3
171.02884	1.3
173.04436	2.1
175.02466	2.5
177.01805	1.8
177.05478	1.5
179.07079	2.3
180.04178	1.8
181.01233	1.1
181.04985	3.0
191.05545	7.2
195.06544	20.8
225.11176	1.1
231.05103	2.4
249.03488	1.4
249.06090	23.9
267.07169	12.2
269.76544	1.0
283.09811	2.9
284.03131	1.2
285.03778	1.4
285.62936	1.1
303.09412	8.1
311.09238	6.9
312.09360	1.4
329.10257	2.2
343.11823	25.1
344.12143	2.1
371.08359	2.9
391.13828	2.7
425.10825	1.3
426.64572	1.2
443.12018	1.9
444.12549	8.9
445.12988	2.0
465.17511	1.4
493.19269	4.0
593.19006	1.9
623.20258	6.3
641.20880	100.0
642.21149	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	641.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33997	0.9
57.03321	2.5
57.06743	0.7
58.02838	1.3
59.01250	11.3
61.42816	0.8
61.98701	1.3
69.03323	2.0
71.01257	7.5
72.99187	1.2
73.02829	2.5
75.00744	3.2
83.01260	5.0
85.02812	5.5
85.52897	0.8
87.00742	2.9
88.98670	8.0
89.02306	2.4
91.19565	0.7
93.03332	3.5
95.01262	1.6
96.95878	2.6
97.02826	2.6
99.00742	2.0
101.02348	3.7
102.01804	1.2
103.00268	4.2
103.01302	0.8
105.03347	1.0
107.01326	1.1
107.04896	1.9
108.02045	4.7
109.02827	10.4
110.03213	1.1
111.00788	1.0
111.04350	1.0
113.02308	3.9
117.03323	3.6
119.04920	1.8
121.02823	3.0
122.03614	1.6
123.00808	1.0
123.04420	2.7
124.01581	0.9
125.02323	8.0
129.01834	1.1
132.01132	1.3
132.02060	15.2
133.02856	10.0
134.03627	48.1
135.00766	2.2
135.04297	1.7
137.02338	32.2
138.02821	1.7
139.03941	1.1
141.04071	1.3
145.02847	1.6
147.04387	2.0
148.01550	1.1
149.02336	3.5
149.05988	6.9
150.03119	6.0
151.00272	1.0
151.03925	5.5
152.01015	4.4
153.01793	2.6
159.04350	1.3
160.01563	79.6
161.02206	5.7
161.04370	1.2
163.03922	2.9
164.04637	1.6
165.01833	2.8
165.05444	4.1
166.02594	2.0
167.03377	1.0
168.00548	1.1
173.04526	1.7
173.05936	1.3
174.03088	1.1
174.64536	0.8
175.03917	100.0
176.04295	5.1
177.01814	4.6
177.05431	1.5
178.02626	5.6
179.03345	1.4
185.00771	0.8
187.03857	1.1
189.01804	0.8
189.05388	0.9
190.02608	1.7
191.03410	7.5
191.05513	3.9
193.04984	69.0
194.05321	3.0
195.06520	1.4
201.05615	1.5
202.02655	1.2
202.06255	2.1
205.04962	1.7
206.05547	0.8
206.72650	0.8
213.47766	0.7
217.01288	0.8
217.05019	2.3
217.08786	0.8
219.06537	1.3
220.07295	1.3
223.06108	1.3
244.07333	1.9
251.07065	4.0
259.09579	0.9
267.07227	1.0
269.04559	2.8
273.07504	1.0
284.03271	3.0
285.04013	11.4
285.07294	1.2
289.07184	2.1
297.07706	10.7
299.05472	1.5
302.64777	0.9
303.08722	24.5
304.08942	2.0
307.17606	2.2
322.06851	4.4
323.07791	1.0
337.09268	61.3
338.09555	5.0
345.09644	1.1
375.27817	1.6
376.27737	1.3
377.27853	1.2
417.11774	1.6
429.10266	3.5
430.10614	2.4
435.12741	0.8
447.13196	4.3
503.52557	0.9
514.53088	0.8
611.14020	2.3
623.14337	1.3
640.36096	1.8
641.18475	23.8
641.27905	3.7
641.36169	2.7
642.18701	6.0
642.28204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	10.1
58.86054	0.6
59.01256	4.3
59.49973	0.8
63.02261	2.9
65.00188	4.9
67.01765	0.8
69.03342	1.1
71.01257	2.6
72.99189	1.0
74.35417	0.6
75.00753	1.1
81.03313	1.1
83.01254	5.9
83.02440	0.6
85.02815	2.3
87.00753	2.0
87.47735	0.8
88.91625	0.7
89.02313	1.5
93.03342	2.6
94.02824	0.7
94.86994	0.6
95.01273	1.3
96.95904	1.6
98.19746	1.4
101.02294	1.3
106.34606	0.9
107.01279	7.2
108.02051	1.6
108.40605	0.7
109.02840	4.8
111.00739	1.1
113.02332	1.7
115.52029	0.7
121.02825	2.2
123.00780	1.4
123.04420	4.2
124.01563	2.9
125.02338	100.0
126.02699	2.3
132.02077	1.5
133.02840	2.0
134.03610	4.8
135.00751	0.8
137.02318	4.7
139.03894	3.2
147.04442	2.2
149.02330	7.5
149.05959	0.8
149.99533	0.9
150.03130	1.9
151.00275	29.1
151.03951	3.4
152.01082	6.0
153.01839	42.7
154.02190	1.4
160.01564	7.4
161.02351	2.4
161.05910	1.0
163.00269	4.3
163.03932	1.5
165.01846	0.8
166.02591	0.9
167.03426	3.2
169.01357	4.4
171.04465	1.4
173.04451	0.8
174.03140	2.3
175.00305	1.0
175.02490	0.7
175.03915	19.5
176.01031	0.8
177.01854	14.3
178.99789	32.9
179.03445	1.0
180.00127	1.1
181.01358	4.6
188.04756	2.4
189.05446	4.7
190.02589	0.7
191.03394	2.1
191.05415	1.5
193.01419	1.0
193.05000	5.0
199.03906	6.5
201.01868	1.2
205.04959	0.9
213.05521	1.7
216.04253	1.2
217.05009	6.2
223.06078	1.1
229.14516	1.0
229.47791	0.7
231.06519	1.1
240.04213	0.7
241.05016	5.2
243.02927	1.2
259.06165	2.7
269.04556	1.9
275.05609	33.3
276.05972	2.2
284.03366	1.2
285.04034	37.0
286.04553	3.4
289.07211	3.1
295.04703	1.2
297.06250	0.9
299.05606	2.4
303.05081	34.7
304.05441	2.1
317.06601	5.2
337.09238	3.3
419.09848	1.5
437.10898	1.8
447.09146	1.1
463.89706	0.9
479.20801	1.0
489.10345	2.3
491.11929	16.4
492.12021	1.4
517.09906	9.7
518.10260	1.0
519.11353	1.7
613.15533	17.4
614.15973	2.0
623.14276	7.5
640.36292	1.3
641.15460	8.6
641.27417	2.4
641.37085	1.2
642.14661	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	640.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.6
59.01255	2.5
61.98699	100.0
63.02295	0.3
65.00230	0.6
69.03307	0.4
69.37289	2.9
71.01257	1.7
72.99200	0.7
73.02818	0.6
74.89066	0.4
75.00761	1.4
75.54539	0.3
85.02828	1.6
87.00752	0.8
88.01045	0.3
89.02327	0.5
95.01288	0.5
96.80576	0.4
97.06516	0.4
99.00758	0.9
101.02329	0.6
105.27821	0.4
107.01264	1.1
108.02087	0.8
109.02843	0.7
111.00761	0.5
113.02319	1.5
117.03340	1.5
119.04897	0.4
125.02320	1.0
133.29503	0.4
135.04424	0.7
137.02373	0.4
147.34218	0.4
149.02266	0.6
151.00314	1.5
151.03882	0.4
152.01109	0.9
153.01808	0.7
159.04378	0.6
161.02385	0.4
166.99844	0.4
171.10117	0.5
178.99854	0.5
191.05513	0.5
201.05602	0.5
201.11240	0.8
215.12743	0.5
225.05600	0.5
227.03398	0.5
249.06133	0.7
268.03778	1.3
269.04526	55.3
270.04861	5.6
311.05566	0.4
333.02029	0.5
389.25171	0.5
450.52133	0.4
577.15570	7.7
578.15674	1.1
619.93689	0.4
639.32056	4.3
640.32819	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	641.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08809	1.0
54.63976	0.9
57.03330	1.4
59.01260	5.9
60.40972	1.0
61.98684	4.1
63.02262	2.4
65.00202	5.2
67.09711	1.0
68.99689	2.2
69.03314	0.9
69.72126	6.2
71.01242	4.5
72.99181	1.3
73.02808	1.2
75.00723	1.3
83.01250	5.4
85.02826	2.3
87.00735	3.0
89.02309	1.7
91.01705	1.3
93.03336	2.6
95.01250	4.7
96.95850	1.6
96.99172	1.5
97.02834	1.8
99.00764	2.7
99.01862	1.6
101.02306	2.4
106.00481	1.4
107.01254	6.2
108.02054	1.9
109.02847	9.0
110.00009	1.2
111.00771	7.4
113.02309	1.4
117.03349	2.3
119.01255	1.2
119.04942	2.0
120.99220	1.2
121.02825	2.4
123.00726	7.6
124.01555	2.2
124.98657	2.3
125.02319	6.6
131.04939	1.6
133.02815	4.0
135.00734	2.6
135.04382	1.8
136.98656	1.8
137.02313	4.2
137.99451	1.5
139.00264	10.8
140.01065	1.5
140.03259	1.5
141.01796	2.1
141.03148	1.3
141.04099	13.8
143.04893	2.2
145.02823	1.2
147.04362	2.2
148.01573	2.5
149.02350	6.7
149.99498	5.0
150.03065	1.6
151.00267	18.9
151.03899	2.4
152.01016	4.7
153.01830	6.0
154.99699	1.7
155.04947	1.4
159.04405	4.5
161.02414	5.3
162.02844	1.0
163.00301	5.5
163.03972	2.3
163.06017	1.0
164.01024	1.6
164.98224	2.5
165.01761	2.6
165.98976	2.0
166.99738	3.3
167.03423	1.6
168.00586	5.0
169.01292	4.3
171.04419	3.8
173.02376	2.4
173.04507	1.2
174.03139	1.2
175.00221	2.6
175.02531	1.2
175.03891	6.4
176.00856	1.0
177.01788	3.7
177.98996	8.1
178.99774	24.9
180.00307	1.0
183.04306	1.6
185.02368	2.3
187.03954	8.5
189.01874	5.7
190.02577	1.8
190.99693	1.8
191.03549	1.9
191.05508	3.1
192.00539	1.8
193.01277	4.4
194.99191	2.9
197.02327	2.0
199.03983	7.1
199.71684	1.2
201.01797	2.8
203.03438	12.0
204.04076	2.3
204.97589	1.7
205.01274	3.6
205.04987	1.9
206.99228	4.2
207.02831	1.8
209.00938	4.7
211.04001	1.3
213.01840	2.3
214.02574	1.6
215.03416	8.3
217.01254	2.3
217.04955	1.7
218.01869	1.1
219.02841	1.9
221.00854	1.5
222.98709	3.1
223.99391	1.3
226.02669	1.2
227.03465	2.3
229.01317	3.3
230.01997	1.4
231.02957	6.8
232.03743	7.0
233.01006	1.5
233.04489	5.9
235.02417	1.4
241.01326	2.3
242.02065	2.0
243.02939	17.1
245.00865	2.4
245.04404	3.3
246.01495	1.6
247.02325	2.0
247.13699	2.0
255.02798	3.1
257.00848	2.7
258.01636	3.3
259.02359	7.5
260.02866	2.3
261.03970	3.1
269.00824	3.2
270.01602	1.7
271.02463	38.1
272.02866	4.2
273.04269	1.1
275.01736	1.0
284.03122	1.6
285.03992	4.6
286.01050	5.6
287.01981	37.5
288.02551	8.5
289.03616	5.2
293.04636	6.2
294.04974	8.2
297.00415	8.8
299.01965	14.9
300.02640	10.2
301.03476	9.2
303.01559	2.1
314.00507	3.5
315.01456	100.0
316.01926	9.7
317.02975	3.8
331.00723	1.9
332.01831	7.5
333.02475	5.4
334.16956	2.1
345.10574	9.0
413.08469	1.2
414.08887	2.7
463.08994	2.9
479.07904	1.2
489.11841	2.4
501.12527	2.2
505.11847	4.2
517.11957	1.5
529.12054	3.4
541.15576	4.2
569.15027	3.5
578.16150	7.2
579.13983	1.6
595.13025	2.0
597.14673	7.5
608.13226	1.2
610.94421	1.1
613.13892	2.5
623.12506	9.1
624.12677	1.9
641.13507	37.4
641.25177	2.1
642.13422	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	640.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.7
59.01249	4.7
61.98701	100.0
63.02274	0.2
65.00201	0.6
68.99683	0.2
69.03320	0.4
71.01260	2.6
71.58527	0.3
71.58901	0.3
72.99180	1.1
73.02811	0.6
75.00743	2.4
83.01253	0.5
85.02821	2.5
87.00736	0.9
87.04374	0.4
89.02312	0.8
93.03303	0.3
95.01278	0.9
96.95942	0.3
99.00768	1.4
101.02315	0.4
103.00304	0.3
107.01261	0.7
109.02854	0.6
111.00777	0.3
113.02337	2.3
117.01819	0.5
117.03348	0.4
119.04897	0.4
123.00776	0.3
125.02345	1.3
125.09599	0.4
129.01863	0.4
133.02872	0.4
137.02351	0.7
139.00311	0.4
141.01817	0.2
147.05486	0.2
149.02324	0.3
150.03195	0.3
151.00273	1.4
151.03909	0.3
152.01060	0.3
153.01843	0.6
156.84911	0.2
161.02380	0.4
163.00388	0.3
163.04062	0.2
164.04729	0.3
166.05009	0.3
169.01295	1.0
171.10205	0.9
171.32681	0.2
173.04507	0.3
174.63692	0.3
177.01781	0.4
178.99777	0.5
179.03447	0.7
181.96077	0.3
183.13809	0.4
184.06143	0.5
187.03946	0.3
190.02763	0.4
191.03659	0.3
191.05513	0.4
193.01442	0.3
194.05801	0.3
201.11311	0.4
209.08133	2.4
243.61867	0.3
249.06177	1.2
250.06558	0.2
267.07248	0.5
268.03793	3.3
269.04532	16.6
270.04898	1.5
285.03989	0.4
294.17978	0.3
319.04700	0.2
321.63571	0.3
355.24280	0.2
371.24255	0.7
389.25391	4.7
390.25760	1.7
391.27042	1.0
434.12906	0.7
455.12122	0.3
477.19543	0.4
478.20401	0.3
577.15564	9.3
578.15875	1.5
639.32391	8.9
640.18817	0.7
640.32635	8.5
641.15979	0.3
641.33899	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	639.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28387	0.4
55.01334	0.5
55.01719	0.7
57.03324	5.8
59.01249	9.0
61.98703	10.4
67.01763	2.4
67.23974	0.4
68.99648	1.6
69.03327	2.2
71.00896	0.8
71.01251	10.6
72.99173	0.9
73.02805	1.6
75.00718	1.4
83.01259	2.2
83.04878	0.5
85.02824	12.4
87.00745	5.1
87.04350	0.4
88.98688	0.8
89.02325	3.3
91.01743	1.0
91.03890	1.1
93.03305	2.1
94.03648	0.5
95.01252	2.8
95.04882	0.7
96.95806	1.1
97.02850	0.9
97.06469	0.8
99.00734	1.5
101.02322	2.8
105.01817	1.0
107.01188	0.5
107.04899	0.6
108.02061	1.4
109.02810	1.7
110.78874	0.4
111.00762	3.0
111.08050	0.7
112.01515	0.6
113.01620	0.7
113.02332	9.6
115.00205	0.5
116.92722	0.5
119.03373	0.7
119.04883	0.5
121.02813	0.5
123.00732	0.7
123.08009	2.1
124.01524	0.4
125.02329	1.1
125.09644	1.2
125.37308	0.5
127.11173	0.9
129.01791	1.6
130.45735	0.4
134.03578	1.2
135.00775	2.1
135.04381	1.6
137.02350	3.4
137.09619	0.5
139.00249	1.7
139.03873	1.1
139.11092	0.7
141.12727	0.7
143.10667	0.7
145.02844	0.7
149.02316	1.7
149.40579	0.4
149.99399	0.4
150.03088	0.7
151.00255	0.7
151.03923	0.9
152.01065	2.3
153.01788	2.0
155.10663	1.2
157.01337	0.5
160.01521	0.8
163.03937	0.8
164.04678	0.8
165.01891	0.5
165.03986	5.1
165.05302	0.8
167.03270	0.5
169.12265	10.8
170.12582	0.6
171.10191	6.7
173.04478	0.5
175.00229	0.4
175.03914	1.0
176.00903	0.6
179.03368	0.9
185.11748	3.1
187.11198	0.8
190.02711	2.4
191.03212	0.7
191.05501	1.0
193.04962	1.2
205.04933	1.6
205.06956	1.0
205.12317	0.7
206.05330	0.6
223.06071	1.9
231.04858	0.6
249.06017	0.9
249.11334	0.6
263.07639	4.3
268.03693	0.6
269.04330	0.8
270.04895	0.6
283.06018	0.9
285.04007	2.7
301.03522	4.4
302.69852	0.5
311.22128	0.6
327.25333	0.7
329.23386	2.3
331.06644	0.7
337.43323	0.5
339.07162	1.1
339.25433	1.0
346.51370	0.5
355.24683	0.8
357.26495	5.7
358.27066	0.6
373.25894	1.5
375.27505	94.6
376.27850	9.4
412.16614	0.6
607.33942	1.3
639.36041	100.0
640.36444	16.6
640.45691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21263	0.6
54.09461	0.7
57.03321	5.1
57.97253	0.8
58.00467	1.0
59.01246	21.8
61.98691	3.9
65.00184	1.0
65.04752	0.7
66.62999	0.7
67.01768	2.8
68.14403	0.8
68.99690	2.0
69.03319	3.9
69.26799	4.7
69.27224	3.7
71.01248	17.5
72.99184	2.2
73.02831	4.3
75.00750	5.8
81.03326	1.6
83.01249	2.8
83.04878	1.5
84.02071	0.9
85.02818	17.2
87.00748	5.8
87.04386	0.8
88.98679	1.4
89.02322	6.6
91.01772	3.3
93.03310	4.3
95.01254	4.2
96.95902	5.0
97.02847	1.0
99.00758	3.6
99.04426	1.3
101.02317	5.4
108.02060	2.9
109.02853	3.5
109.06467	1.1
111.00782	3.5
113.02325	14.4
115.03860	0.9
116.92715	4.3
117.03334	1.4
119.03429	2.0
119.04914	2.2
121.02861	3.3
123.00774	1.4
123.04487	0.9
123.08039	2.3
124.01543	1.2
125.02352	3.3
125.09627	1.4
127.11237	1.6
127.74173	1.0
129.01831	2.7
132.02119	0.8
132.94949	0.7
133.02850	1.8
133.04987	1.9
134.03627	3.5
135.00809	3.5
135.04422	19.0
136.01602	1.0
136.04816	1.5
137.02345	4.4
137.09587	1.9
138.01747	1.2
139.00313	1.8
139.11275	1.0
141.01637	0.8
141.04073	1.9
143.03398	1.0
143.04962	1.2
145.02786	0.9
149.02350	7.8
149.05887	1.0
150.03012	1.3
151.00272	1.8
151.03915	1.9
152.01009	3.9
153.01819	9.0
153.09084	0.9
155.10666	1.2
157.01358	0.8
157.12231	1.0
160.01622	2.7
161.02339	3.1
161.04507	1.4
161.09608	1.5
163.03937	3.0
164.04720	4.0
165.01843	0.9
165.05444	2.2
165.12720	1.9
168.00583	1.4
169.12173	1.2
171.10266	1.6
173.04469	1.3
175.00330	2.8
175.02431	0.8
175.03923	3.1
178.02560	1.1
179.03465	2.2
179.05583	1.0
179.07024	1.1
181.04955	0.9
183.13837	3.2
185.11775	2.5
187.11275	1.0
190.02643	6.7
191.05559	1.5
193.04980	3.7
195.06578	2.2
201.11319	1.0
204.39116	0.8
205.05028	7.2
205.06860	1.3
205.12260	1.2
206.05382	0.9
223.06061	6.6
243.02814	0.9
249.06079	1.9
251.20197	0.9
255.02907	1.2
263.07666	5.9
267.07147	2.7
268.03879	1.7
269.04578	3.8
269.10394	0.9
271.02576	2.4
271.06134	9.9
272.06494	1.7
283.06131	3.3
284.03293	2.1
285.03998	11.3
286.04224	1.3
293.04611	2.9
294.05124	1.6
295.05426	1.4
299.05676	1.3
300.02570	3.9
301.03491	3.2
301.07248	3.3
311.22330	1.0
313.06082	1.1
327.21756	1.0
329.23218	4.2
333.20773	2.4
339.25732	1.1
357.26489	5.5
367.10504	1.1
373.26093	3.9
374.26294	1.2
375.27490	86.3
376.27841	7.4
415.09521	1.5
433.10791	1.9
463.08765	1.7
477.19971	3.7
477.31085	0.9
489.09998	1.1
607.33380	1.8
639.15149	3.8
639.36005	100.0
640.26239	3.0
640.36346	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	639.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21263	0.6
54.09461	0.7
57.03321	5.1
57.97253	0.8
58.00467	1.0
59.01246	21.8
61.98691	3.9
65.00184	1.0
65.04752	0.7
66.62999	0.7
67.01768	2.8
68.14403	0.8
68.99690	2.0
69.03319	3.9
69.26799	4.7
69.27224	3.7
71.01248	17.5
72.99184	2.2
73.02831	4.3
75.00750	5.8
81.03326	1.6
83.01249	2.8
83.04878	1.5
84.02071	0.9
85.02818	17.2
87.00748	5.8
87.04386	0.8
88.98679	1.4
89.02322	6.6
91.01772	3.3
93.03310	4.3
95.01254	4.2
96.95902	5.0
97.02847	1.0
99.00758	3.6
99.04426	1.3
101.02317	5.4
108.02060	2.9
109.02853	3.5
109.06467	1.1
111.00782	3.5
113.02325	14.4
115.03860	0.9
116.92715	4.3
117.03334	1.4
119.03429	2.0
119.04914	2.2
121.02861	3.3
123.00774	1.4
123.04487	0.9
123.08039	2.3
124.01543	1.2
125.02352	3.3
125.09627	1.4
127.11237	1.6
127.74173	1.0
129.01831	2.7
132.02119	0.8
132.94949	0.7
133.02850	1.8
133.04987	1.9
134.03627	3.5
135.00809	3.5
135.04422	19.0
136.01602	1.0
136.04816	1.5
137.02345	4.4
137.09587	1.9
138.01747	1.2
139.00313	1.8
139.11275	1.0
141.01637	0.8
141.04073	1.9
143.03398	1.0
143.04962	1.2
145.02786	0.9
149.02350	7.8
149.05887	1.0
150.03012	1.3
151.00272	1.8
151.03915	1.9
152.01009	3.9
153.01819	9.0
153.09084	0.9
155.10666	1.2
157.01358	0.8
157.12231	1.0
160.01622	2.7
161.02339	3.1
161.04507	1.4
161.09608	1.5
163.03937	3.0
164.04720	4.0
165.01843	0.9
165.05444	2.2
165.12720	1.9
168.00583	1.4
169.12173	1.2
171.10266	1.6
173.04469	1.3
175.00330	2.8
175.02431	0.8
175.03923	3.1
178.02560	1.1
179.03465	2.2
179.05583	1.0
179.07024	1.1
181.04955	0.9
183.13837	3.2
185.11775	2.5
187.11275	1.0
190.02643	6.7
191.05559	1.5
193.04980	3.7
195.06578	2.2
201.11319	1.0
204.39116	0.8
205.05028	7.2
205.06860	1.3
205.12260	1.2
206.05382	0.9
223.06061	6.6
243.02814	0.9
249.06079	1.9
251.20197	0.9
255.02907	1.2
263.07666	5.9
267.07147	2.7
268.03879	1.7
269.04578	3.8
269.10394	0.9
271.02576	2.4
271.06134	9.9
272.06494	1.7
283.06131	3.3
284.03293	2.1
285.03998	11.3
286.04224	1.3
293.04611	2.9
294.05124	1.6
295.05426	1.4
299.05676	1.3
300.02570	3.9
301.03491	3.2
301.07248	3.3
311.22330	1.0
313.06082	1.1
327.21756	1.0
329.23218	4.2
333.20773	2.4
339.25732	1.1
357.26489	5.5
367.10504	1.1
373.26093	3.9
374.26294	1.2
375.27490	86.3
376.27841	7.4
415.09521	1.5
433.10791	1.9
463.08765	1.7
477.19971	3.7
477.31085	0.9
489.09998	1.1
607.33380	1.8
639.15149	3.8
639.36005	100.0
640.26239	3.0
640.36346	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	639.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.8
57.03312	3.5
57.44501	0.8
57.91457	0.8
58.00457	1.2
58.27863	0.8
59.01245	26.5
61.98700	1.3
64.27581	0.7
65.03825	2.1
66.01630	0.8
71.01247	24.1
71.06582	1.6
72.99168	2.8
73.02809	6.4
81.03314	1.5
83.01283	4.3
83.04895	6.8
85.02818	7.2
85.06445	2.6
87.00740	9.8
89.02305	11.2
91.03883	1.1
91.05410	1.2
93.03313	1.4
95.01260	2.9
95.04891	1.4
97.06454	4.7
99.00757	1.9
101.02312	18.1
105.06986	1.0
107.04898	1.1
107.08481	1.2
109.06480	3.0
111.00782	1.5
111.04338	1.1
111.08033	6.8
113.02325	10.5
115.23576	0.7
117.27160	0.8
119.03415	2.2
119.04890	2.1
119.08536	1.3
121.02821	0.8
123.08031	3.3
125.02296	1.0
125.09615	14.0
131.71802	0.8
133.06430	1.2
134.07182	0.8
135.08051	1.4
137.09599	3.1
143.03421	1.1
145.04979	4.0
151.11201	1.7
155.10670	1.2
161.04497	5.1
162.78595	0.9
171.10175	66.3
172.10538	3.6
179.05450	2.3
183.13919	1.8
185.11768	1.6
187.09702	1.4
187.14787	2.3
189.16426	1.8
201.12814	1.4
205.15834	6.3
207.13840	2.5
209.11766	16.7
210.12016	1.4
211.13336	30.0
215.14319	9.0
221.15491	4.3
231.13858	8.6
233.15417	44.6
234.15662	4.3
235.08185	9.8
235.13322	2.2
237.14888	1.4
239.16608	1.2
247.13290	1.8
247.16934	2.3
249.14943	41.7
250.15228	3.3
251.16510	1.9
253.09308	8.7
265.18188	1.0
313.25204	1.2
323.23666	1.9
331.26395	3.8
339.22998	1.4
341.24805	7.9
349.21802	1.1
357.24368	2.0
359.25882	3.4
367.22684	4.6
368.22879	1.4
375.25369	5.8
377.26971	1.7
385.23788	33.9
386.24271	3.2
393.26468	2.5
403.24875	56.2
404.25189	6.2
407.19052	2.1
421.26001	17.7
422.26041	2.1
467.23392	1.4
477.28442	1.6
485.23776	5.7
513.08453	0.9
611.34589	2.7
621.32727	100.0
622.33038	20.9
639.33807	57.3
640.34100	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	639.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.0
55.02432	0.8
57.03322	4.0
57.07324	0.8
58.00464	1.5
59.01253	27.9
65.03831	1.7
68.26666	0.7
70.85055	1.0
70.85405	1.8
71.00887	1.4
71.01252	22.0
72.99158	1.4
73.02824	5.9
77.18109	0.8
81.03323	1.9
83.01244	3.5
83.04890	7.2
85.02831	6.9
85.06451	2.4
85.99946	1.1
87.00761	8.0
89.02324	10.7
91.05413	1.2
93.03316	0.9
95.01254	2.0
95.04890	0.9
97.06492	4.6
99.00761	2.0
101.02319	16.5
105.06960	1.8
107.87848	0.8
109.06461	2.8
111.00752	0.9
111.04396	1.9
111.08054	6.8
113.02341	11.4
115.51791	0.8
119.03407	2.1
119.04903	1.2
121.06473	0.9
123.08033	3.9
125.02235	1.8
125.09608	16.0
133.06490	1.0
135.08061	1.9
136.01599	0.9
137.09572	2.6
138.51485	0.7
145.05011	4.7
161.02386	1.4
161.04478	4.7
163.11234	1.3
171.10172	63.3
172.10506	2.3
179.05487	1.7
183.13882	1.8
185.11671	1.8
187.14882	1.4
189.16351	1.6
201.12813	1.4
205.15947	4.5
207.13829	1.2
209.11777	17.5
211.11604	0.7
211.13318	19.5
213.12830	1.0
215.14380	13.3
221.15431	4.1
231.13824	7.2
233.15431	43.2
234.15788	2.2
235.08221	11.6
235.13370	2.3
237.14877	1.1
247.17038	2.0
249.14932	35.7
250.15294	3.0
251.16629	1.4
253.09270	7.0
257.17532	1.3
285.61502	1.0
313.25302	0.9
317.26480	0.9
323.23767	1.4
331.26401	2.7
334.76404	0.8
339.23190	1.5
341.24814	6.5
357.24380	1.8
359.25937	2.2
367.22809	4.3
368.22784	1.6
375.25311	6.3
377.27054	1.1
385.23825	30.6
386.24078	3.6
393.26447	2.0
403.24866	49.6
404.25034	5.5
407.19257	2.2
421.25986	13.0
422.26321	1.5
467.22519	1.6
485.24179	2.1
491.78229	1.0
611.34326	3.8
621.32782	100.0
622.33099	17.2
638.35999	1.0
639.33844	51.7
640.25128	1.4
640.34320	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	639.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	3.2
57.99318	0.6
59.01249	12.6
60.99152	0.7
61.98703	93.1
67.01772	1.4
68.99696	1.0
69.03339	1.2
71.01250	12.6
71.58878	0.8
71.59264	0.9
72.83212	0.7
72.99196	6.2
73.02820	3.6
75.00745	12.5
81.03378	0.7
81.89166	0.6
83.01249	1.9
83.04925	0.7
84.02029	0.7
85.02827	13.5
87.00769	6.2
87.04406	1.8
88.98676	2.8
89.02325	4.2
93.03346	2.6
95.01244	3.8
96.95911	1.7
97.02847	0.9
97.06467	1.4
99.00750	6.9
99.04455	1.1
101.02339	2.5
103.00251	1.0
106.42291	0.6
107.01293	1.0
108.02087	1.0
109.02848	2.5
111.00735	0.9
113.02331	13.4
115.00242	1.3
117.01817	1.6
121.02805	1.0
123.00797	1.0
123.04379	1.7
123.08012	1.0
125.02350	5.9
125.09620	2.4
129.01845	1.3
133.55342	0.8
134.03581	1.3
135.04445	1.6
137.02339	1.6
139.00285	1.5
139.07603	0.8
141.04111	0.7
149.02368	2.3
150.03159	1.1
151.00266	3.4
153.01830	1.8
157.01285	1.0
157.08586	1.1
161.02339	1.0
163.03946	1.3
164.04657	1.4
165.01741	0.8
165.05444	1.4
167.03407	2.3
169.01263	0.8
171.10207	5.5
175.02373	2.2
175.03833	1.1
177.01903	1.3
179.03374	1.1
183.13838	3.0
190.02690	1.4
191.05597	1.4
193.00085	1.1
195.06604	0.7
201.11235	4.3
215.12775	1.0
223.06062	1.3
227.12859	1.3
231.06618	2.7
245.14027	0.7
246.24326	0.7
249.06163	8.6
267.07214	2.3
268.03842	3.2
269.04544	16.4
270.04755	0.8
271.19208	0.7
285.04019	2.6
313.08969	1.1
319.04544	1.3
330.09869	0.9
333.20557	1.6
371.24228	3.5
387.23987	0.9
389.25427	35.0
390.25830	3.1
443.15646	0.9
451.18283	2.9
459.18381	1.3
477.20120	5.1
496.88779	0.9
577.15649	14.7
579.22430	0.9
596.17004	0.8
621.16455	0.8
621.31201	1.4
639.32410	100.0
640.22760	1.4
640.32733	17.1
658.68005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.0
56.97330	1.0
57.03328	2.5
59.01249	13.1
61.98699	73.8
68.99667	1.2
69.03305	1.8
69.39642	0.8
71.58573	1.0
71.58952	1.4
72.99166	5.1
73.02819	3.2
75.00734	11.4
82.75211	0.9
83.01254	2.7
85.02810	13.8
87.00744	6.9
87.04391	2.1
88.98671	4.3
89.02296	4.7
93.03310	1.9
95.01239	3.1
99.00759	9.1
99.04363	1.0
101.02316	2.8
103.00262	2.4
107.01236	1.0
108.02039	2.3
109.02850	2.1
111.00710	1.4
113.02326	12.5
115.00235	1.1
117.01808	1.5
118.16278	1.0
121.02820	1.4
123.04436	1.2
123.08035	0.9
125.02319	8.6
125.09622	2.2
134.03619	1.0
135.04420	1.2
137.02357	1.8
139.03905	1.2
141.09105	1.0
149.02350	2.1
151.00267	5.3
152.01028	1.5
153.01820	2.0
157.08614	1.8
163.03784	1.1
165.01877	1.2
165.05528	1.5
165.12744	1.2
167.03380	2.4
168.00504	1.2
171.10139	5.5
173.04420	1.5
175.02402	1.0
177.01836	1.4
183.13852	3.0
191.05515	2.3
195.06519	1.2
201.11316	5.2
205.05035	1.4
215.12810	1.9
223.06081	1.6
227.12759	2.7
231.06668	5.6
232.59198	0.9
243.15901	1.0
249.06087	9.5
267.07077	1.4
268.03650	2.8
269.04526	15.4
270.04834	1.2
275.05649	1.3
285.03983	3.4
319.04593	1.6
325.93814	1.0
331.10193	1.1
333.20679	2.1
343.21320	1.6
359.24304	1.1
371.24472	4.7
389.25433	32.8
390.25824	4.5
451.18042	1.8
477.19644	4.7
577.15625	8.5
579.21973	1.2
639.32349	100.0
640.32581	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	639.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30752	0.5
55.01798	0.6
56.85145	0.4
57.03330	3.7
58.00507	0.7
59.01249	12.7
67.01801	1.0
68.99722	1.3
69.03378	2.1
69.59399	3.9
71.01254	18.1
71.04935	0.6
72.99184	5.5
73.02854	1.1
75.00750	18.0
81.03391	0.5
82.35184	0.4
83.01317	0.9
85.02824	18.4
87.00757	7.7
87.04402	0.5
89.02312	5.1
91.03922	0.8
93.03373	1.2
95.01247	4.9
97.06532	0.6
99.00755	22.3
101.02378	2.0
103.00327	1.8
106.08763	0.5
108.02080	0.7
109.02890	1.4
111.00824	1.4
111.08044	4.5
112.01606	0.7
113.02328	23.7
115.00304	1.3
117.01881	1.3
120.22030	0.5
129.01904	2.2
131.03461	0.9
137.02469	0.6
139.00331	0.9
142.62204	0.5
142.63287	0.5
149.04463	0.6
153.01917	1.0
157.01338	4.6
165.12759	32.8
166.13187	1.4
175.02473	2.2
181.01353	0.6
181.12352	1.0
183.13831	25.6
184.14233	1.1
189.04144	0.6
205.05293	0.7
205.07144	1.2
207.05121	0.7
209.11717	2.7
227.12849	9.5
231.05052	0.9
247.82280	0.6
249.03537	1.0
249.06129	21.4
267.07211	32.8
268.07602	1.1
301.16675	3.3
340.73126	0.5
347.63409	0.6
415.19687	3.0
459.18732	32.1
460.19156	2.7
477.19751	100.0
478.20056	11.2
501.19702	0.7
519.20721	4.2
552.61487	0.5
639.24927	39.5
640.25256	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	637.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40914	0.4
56.41343	0.5
57.03261	3.6
59.01190	8.9
64.82181	0.5
67.01710	1.4
68.99624	2.1
69.03253	2.2
69.03590	0.5
69.29116	1.2
69.29520	3.9
70.31303	0.5
71.01248	9.0
71.55141	0.5
72.99128	1.5
73.02760	2.0
75.00708	1.3
83.01206	1.9
83.01646	0.5
83.04850	1.1
85.02821	10.7
85.03300	0.5
87.00753	2.5
89.02317	3.3
91.03827	0.8
93.03257	1.8
95.01251	3.3
96.95839	1.2
97.02737	0.7
99.00702	0.9
101.02251	1.8
108.01948	0.5
109.02770	1.0
111.00748	3.0
111.04372	0.7
111.07973	0.8
113.02320	9.7
113.61871	0.5
116.92710	1.4
117.03323	5.1
119.04845	2.3
119.77992	0.5
121.02858	3.7
123.04278	0.5
123.07980	1.5
125.02236	1.5
125.09602	3.1
127.11108	1.5
129.01767	1.1
131.01195	1.5
132.09192	0.5
133.02725	0.8
133.04881	1.1
134.03613	2.5
135.04338	0.6
136.05121	0.5
137.02284	1.6
137.05891	0.6
137.09521	2.0
139.00212	1.5
139.03845	0.5
141.04079	1.2
141.08994	0.8
143.10634	0.6
145.02628	0.7
147.04408	1.0
149.02341	16.7
149.05884	1.3
150.02681	0.7
152.01003	1.2
153.01750	1.5
153.09097	1.0
153.12643	0.5
155.10603	1.8
157.01289	0.7
160.01472	0.8
161.02257	0.8
161.53539	0.6
163.03908	2.4
164.04674	10.3
165.05022	0.7
167.03349	1.6
168.00510	0.7
169.12160	0.6
171.10159	8.9
173.02335	3.6
173.04436	0.8
174.98982	0.6
175.00301	6.8
175.03802	1.2
177.12698	0.7
178.02582	0.7
179.03447	0.6
179.05530	0.7
179.06970	2.9
185.11659	3.1
189.03879	0.7
190.02669	3.5
191.05482	1.3
193.01280	1.0
193.04933	1.7
195.13791	4.9
201.14909	0.6
205.04906	2.7
205.06830	1.2
206.05247	0.6
207.02898	0.7
207.10236	0.8
208.03575	0.8
223.04076	0.9
223.06062	9.7
224.06427	0.7
229.14337	0.8
230.14999	0.7
243.15903	0.6
249.05922	1.1
253.04965	0.6
263.07700	6.0
265.07214	0.6
267.07013	0.7
269.04416	2.8
281.04294	1.0
283.06091	8.2
284.06232	0.7
285.20728	0.7
293.04535	61.2
294.04910	6.8
295.06000	0.7
298.04605	0.5
311.05594	13.1
312.05856	1.4
323.05518	1.5
325.23846	0.9
327.21725	0.7
331.06677	1.0
341.06653	3.1
343.24869	0.7
355.24875	2.7
371.24411	1.6
373.25912	74.8
374.26251	6.9
413.08740	32.3
414.09149	5.1
431.09793	21.7
432.10175	3.5
443.11685	0.9
475.22159	0.6
475.30234	1.4
605.31921	1.2
637.34625	100.0
638.35095	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	637.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40914	0.4
56.41343	0.5
57.03261	3.6
59.01190	8.9
64.82181	0.5
67.01710	1.4
68.99624	2.1
69.03253	2.2
69.03590	0.5
69.29116	1.2
69.29520	3.9
70.31303	0.5
71.01248	9.0
71.55141	0.5
72.99128	1.5
73.02760	2.0
75.00708	1.3
83.01206	1.9
83.01646	0.5
83.04850	1.1
85.02821	10.7
85.03300	0.5
87.00753	2.5
89.02317	3.3
91.03827	0.8
93.03257	1.8
95.01251	3.3
96.95839	1.2
97.02737	0.7
99.00702	0.9
101.02251	1.8
108.01948	0.5
109.02770	1.0
111.00748	3.0
111.04372	0.7
111.07973	0.8
113.02320	9.7
113.61871	0.5
116.92710	1.4
117.03323	5.1
119.04845	2.3
119.77992	0.5
121.02858	3.7
123.04278	0.5
123.07980	1.5
125.02236	1.5
125.09602	3.1
127.11108	1.5
129.01767	1.1
131.01195	1.5
132.09192	0.5
133.02725	0.8
133.04881	1.1
134.03613	2.5
135.04338	0.6
136.05121	0.5
137.02284	1.6
137.05891	0.6
137.09521	2.0
139.00212	1.5
139.03845	0.5
141.04079	1.2
141.08994	0.8
143.10634	0.6
145.02628	0.7
147.04408	1.0
149.02341	16.7
149.05884	1.3
150.02681	0.7
152.01003	1.2
153.01750	1.5
153.09097	1.0
153.12643	0.5
155.10603	1.8
157.01289	0.7
160.01472	0.8
161.02257	0.8
161.53539	0.6
163.03908	2.4
164.04674	10.3
165.05022	0.7
167.03349	1.6
168.00510	0.7
169.12160	0.6
171.10159	8.9
173.02335	3.6
173.04436	0.8
174.98982	0.6
175.00301	6.8
175.03802	1.2
177.12698	0.7
178.02582	0.7
179.03447	0.6
179.05530	0.7
179.06970	2.9
185.11659	3.1
189.03879	0.7
190.02669	3.5
191.05482	1.3
193.01280	1.0
193.04933	1.7
195.13791	4.9
201.14909	0.6
205.04906	2.7
205.06830	1.2
206.05247	0.6
207.02898	0.7
207.10236	0.8
208.03575	0.8
223.04076	0.9
223.06062	9.7
224.06427	0.7
229.14337	0.8
230.14999	0.7
243.15903	0.6
249.05922	1.1
253.04965	0.6
263.07700	6.0
265.07214	0.6
267.07013	0.7
269.04416	2.8
281.04294	1.0
283.06091	8.2
284.06232	0.7
285.20728	0.7
293.04535	61.2
294.04910	6.8
295.06000	0.7
298.04605	0.5
311.05594	13.1
312.05856	1.4
323.05518	1.5
325.23846	0.9
327.21725	0.7
331.06677	1.0
341.06653	3.1
343.24869	0.7
355.24875	2.7
371.24411	1.6
373.25912	74.8
374.26251	6.9
413.08740	32.3
414.09149	5.1
431.09793	21.7
432.10175	3.5
443.11685	0.9
475.22159	0.6
475.30234	1.4
605.31921	1.2
637.34625	100.0
638.35095	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	637.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.6
56.28340	0.6
56.97391	0.6
56.98175	0.6
57.03329	4.2
59.01253	15.8
61.98698	1.6
67.01749	1.7
68.99683	1.9
69.03329	4.0
69.52703	5.4
71.01253	13.9
72.59538	0.6
72.99169	2.7
73.02827	3.2
73.03165	0.6
75.00739	2.2
83.01244	2.3
83.04889	1.2
85.02821	11.0
87.00747	4.4
88.98662	0.9
89.02315	6.0
91.01748	0.6
91.03852	0.9
93.03342	3.2
95.01264	3.4
96.95879	2.5
97.02822	1.5
97.06498	1.2
98.19823	1.3
99.00718	1.5
101.02308	5.1
103.00248	0.8
103.01791	0.7
108.02037	2.1
109.02826	1.9
111.00762	2.8
111.08013	0.7
113.02337	11.8
116.92739	4.6
117.03344	4.4
118.46835	0.6
119.03361	1.0
119.04891	2.0
121.02825	3.6
123.04395	1.4
123.08036	2.2
124.01585	0.7
125.02338	2.3
125.09581	2.8
127.11157	2.0
129.01877	1.5
131.01288	1.6
132.02043	0.8
133.02838	1.5
133.04976	1.3
134.03604	2.7
135.04376	2.8
136.05164	1.1
137.02353	4.7
137.05928	0.9
137.09601	2.0
139.00240	1.6
141.01729	0.9
141.04106	1.0
141.09061	0.9
147.04367	1.0
149.01205	1.0
149.02354	13.4
149.05936	1.4
150.03041	1.0
151.03876	0.8
152.01001	1.9
153.01799	3.9
153.09085	0.8
155.10658	1.4
160.01563	1.7
161.02315	1.4
161.04478	1.2
162.03181	0.8
163.03868	2.8
164.04698	7.6
165.01810	0.7
165.05338	1.0
168.00591	0.9
169.12230	0.9
171.10167	8.3
173.02319	2.0
173.04453	1.2
175.00293	7.5
175.03864	1.9
177.01822	1.6
179.03389	0.9
179.05655	0.7
179.07057	1.7
185.00902	0.9
185.11768	4.1
190.02634	6.7
191.03323	1.0
191.05495	2.4
192.04210	1.5
193.04994	2.5
195.13847	11.6
196.14114	1.2
199.13214	0.7
205.05032	4.7
205.06932	1.1
205.12337	0.9
207.06454	2.1
207.10300	1.2
208.03690	0.9
209.04454	0.8
221.06332	0.8
223.06073	10.1
224.06401	1.3
229.14439	1.6
239.12730	1.2
249.05927	1.0
263.07755	4.9
267.07446	1.3
269.04425	2.8
271.02664	0.7
283.06122	6.6
284.03247	1.4
284.06424	0.8
285.03970	2.1
293.04562	42.5
294.04895	3.4
308.05545	0.6
311.05600	7.8
312.05734	0.6
327.21625	1.0
331.06900	1.3
341.06775	3.1
343.24908	0.9
355.24823	2.9
371.24356	1.9
373.25922	78.4
374.26352	6.4
397.13037	1.0
413.08762	26.3
414.09128	3.7
415.14325	1.3
431.09750	14.4
432.09952	1.3
475.30850	3.5
605.31738	1.6
637.35022	100.0
638.25281	1.0
638.35559	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	637.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.0
58.00443	1.6
59.01248	22.8
61.98701	2.6
65.03826	3.8
65.84121	1.3
67.20576	1.4
69.03309	3.5
69.86697	7.2
71.01251	25.3
72.99176	1.8
73.02808	4.2
81.03363	2.0
81.55614	1.3
83.01252	3.3
83.04900	3.0
85.02824	6.4
87.00739	5.8
89.02315	8.0
91.05406	2.0
95.01251	2.2
95.04877	1.8
96.95897	1.9
97.02836	2.0
97.06457	3.9
99.00777	2.0
101.02323	14.7
109.06461	6.0
110.98809	1.3
113.02335	6.8
116.36671	1.2
119.03400	2.1
121.02821	5.5
123.08020	2.5
125.02331	1.8
125.09602	13.0
131.04890	1.3
135.08069	1.9
143.03360	1.9
145.04987	3.9
161.04420	3.6
163.11095	2.7
166.02571	2.3
171.10141	4.8
185.11729	3.9
185.40259	1.3
187.14790	5.5
189.12848	1.4
191.10684	1.6
199.13333	1.8
201.12741	1.8
205.12160	2.0
207.10223	9.0
209.04469	3.8
209.11772	16.2
211.13304	6.1
213.12802	4.7
217.00238	3.9
225.11282	4.0
231.13840	16.4
233.11691	2.3
235.08235	6.7
247.13376	4.4
249.14926	6.6
253.09180	2.8
275.12796	1.7
329.24783	3.0
339.23239	5.0
355.22766	2.2
357.24426	3.8
365.21170	4.8
373.23862	6.5
383.22214	21.1
384.22464	2.8
389.76227	1.7
391.24915	4.0
401.15021	1.4
401.23315	32.3
402.23520	3.7
419.24429	13.3
455.07446	3.8
522.69458	1.6
609.32928	3.0
619.31207	100.0
620.31317	16.5
633.25977	1.5
637.32190	49.8
638.32556	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	637.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94976	0.9
56.81277	0.8
57.03312	5.2
59.01248	100.0
60.01583	1.2
61.98687	2.8
69.03312	1.8
71.01250	12.9
72.99182	4.3
73.02798	4.2
75.00732	2.4
78.95749	0.9
81.03345	1.7
83.01254	2.2
83.04891	3.6
85.02827	6.8
87.00743	6.8
87.25791	1.0
89.02306	7.9
93.03325	3.1
95.01252	2.3
95.04896	2.2
96.95905	1.4
97.02822	1.7
97.06461	4.6
99.00742	2.4
101.02310	11.7
107.04906	11.3
108.02022	3.5
109.02824	2.8
109.06490	1.1
111.60148	0.9
113.02322	6.9
117.05426	1.2
119.03384	3.0
120.05692	3.4
122.03544	1.0
125.02357	1.7
134.03587	1.5
135.00743	1.9
135.04405	6.6
135.08012	1.0
135.11624	1.5
137.02316	5.6
141.05463	2.6
149.02374	2.5
152.01050	3.4
152.04662	2.2
153.01854	2.9
157.06421	1.3
159.08061	1.5
160.01529	1.9
161.02341	1.2
161.04523	1.7
161.05913	1.1
161.09618	19.5
161.13266	9.7
163.03853	5.8
163.11180	3.4
164.04657	1.7
165.12770	1.2
171.10207	2.5
175.00415	1.0
175.03900	2.1
177.01744	1.1
178.06284	6.4
179.03320	1.1
179.10722	1.4
187.11194	27.6
188.11624	1.4
189.09134	13.3
189.12749	1.2
190.02612	2.6
193.04974	1.7
193.08638	14.7
194.08995	1.0
202.99506	1.0
203.10689	2.5
205.04968	3.2
205.12260	15.4
207.10202	4.3
209.11758	45.0
210.12080	2.4
223.06061	2.5
223.13319	4.0
225.14922	2.7
227.12801	1.7
231.10146	1.6
238.76370	1.0
243.06569	9.8
249.11279	20.6
250.11603	1.9
267.12329	9.5
269.04556	3.1
269.17722	1.7
284.03290	4.1
285.04041	3.0
383.22113	1.5
383.44302	1.0
387.20297	9.5
401.23407	3.8
419.24704	1.4
484.50381	1.2
519.15234	3.3
537.16022	2.1
585.79974	1.0
593.12726	1.6
619.31573	1.9
624.86505	1.1
637.32324	58.9
638.32806	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	637.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.7
57.03309	1.6
58.00460	0.6
59.01249	14.9
61.98689	1.5
65.03828	3.4
68.99675	0.5
69.03325	2.1
69.38113	2.8
69.38526	1.5
71.01250	14.2
72.99178	1.5
73.02827	2.9
79.05414	0.5
81.03319	1.0
83.01259	1.9
83.04890	2.0
85.02821	4.7
87.00757	5.7
87.04369	0.5
89.02323	5.7
91.03909	0.4
91.05385	2.3
93.03340	1.6
93.06977	0.4
95.01253	1.3
95.04915	2.6
96.95887	0.5
97.02806	1.1
97.06456	3.2
99.00740	1.3
101.02319	9.2
103.03943	0.5
103.05379	0.7
105.06976	1.2
107.04900	0.9
109.02820	0.5
109.06467	2.4
111.08012	0.6
113.02335	5.7
115.05396	3.1
117.06973	0.9
119.03400	1.5
119.04920	0.5
121.02850	0.5
121.06482	0.5
123.08043	1.7
125.02317	1.0
125.09611	11.3
126.09882	0.4
129.01886	0.5
133.06441	0.9
133.10158	0.8
135.08026	2.0
137.09641	0.6
145.04945	2.8
157.10092	0.8
161.04507	2.4
163.11163	1.2
165.12764	0.7
171.10179	6.5
173.13313	0.6
175.11163	0.5
179.05573	0.6
181.12257	0.8
185.09723	0.6
185.11740	3.9
185.13231	0.8
187.09628	1.6
187.11200	0.8
187.14819	4.3
189.12831	0.6
191.10719	1.3
195.11696	1.0
201.12804	1.2
203.14319	1.4
205.12184	0.9
207.10150	1.6
209.11755	12.1
210.12015	1.1
211.13216	0.9
213.12822	7.2
215.10730	1.2
217.12366	0.5
221.15341	0.9
225.11243	1.0
229.12289	0.7
231.13858	15.2
232.14185	1.1
233.11812	2.0
233.15382	0.6
235.08203	4.1
235.13359	1.8
247.13385	2.6
249.14958	2.6
253.09241	1.9
261.15012	1.2
263.16690	0.8
273.14819	0.7
285.14850	1.0
291.16333	0.5
313.21573	0.5
321.21854	0.5
329.24771	1.7
339.23181	3.0
340.23807	0.6
355.22638	1.3
357.24396	2.7
365.21222	2.4
373.23737	3.5
375.25446	0.6
383.22250	15.4
384.22696	1.9
391.24753	1.8
401.23306	18.1
402.23611	1.6
419.24237	5.5
445.20779	0.5
457.25980	0.6
493.27390	0.6
537.24316	0.5
609.32971	1.3
619.31213	100.0
620.31549	15.7
637.32269	24.5
637.42993	0.8
638.32690	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	637.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48788	1.8
54.72940	1.9
57.03302	2.1
58.00465	3.4
59.01250	50.3
61.98710	3.6
67.17182	1.6
71.01251	81.1
71.58337	2.7
72.01565	1.8
72.99182	2.3
73.02827	4.8
75.76256	1.7
80.96427	2.6
81.03331	4.1
83.04900	4.0
85.02826	6.9
87.00756	5.3
89.02295	11.8
93.03348	2.2
95.01267	3.1
95.04906	3.8
97.02839	7.8
97.06450	3.3
99.00761	4.4
101.02346	14.5
109.06467	34.0
110.03649	2.5
113.02360	9.9
117.03346	1.9
119.03423	2.7
119.04976	2.4
121.02866	4.8
125.09586	5.6
134.87666	2.4
135.08026	5.7
145.02835	3.6
145.04994	4.0
161.04475	5.9
161.09653	2.8
163.03870	1.9
163.11203	20.8
171.10167	17.1
181.12231	6.0
185.11708	3.6
190.02609	4.2
199.09729	3.0
201.09477	1.8
201.11288	7.5
203.36719	2.1
207.10197	100.0
208.10513	6.2
209.11769	6.2
209.63199	2.0
211.13348	4.4
217.00241	4.0
225.11270	53.4
231.13968	3.9
235.08202	6.7
243.12416	4.1
247.13470	5.4
249.14929	2.9
253.09227	24.0
267.39716	2.3
269.04529	2.7
275.12808	3.6
329.24597	3.2
339.23184	7.3
357.24377	5.3
365.21317	3.7
373.23856	4.9
383.22269	15.1
384.22766	3.1
391.24939	3.1
401.23343	31.1
402.23715	3.6
419.24121	12.6
461.20148	16.7
462.20920	5.4
475.26956	2.4
494.75977	2.2
534.84631	1.9
593.30322	2.1
619.31262	19.9
637.32147	47.2
638.32501	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	637.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.7
59.01247	24.7
61.98668	3.9
71.01248	13.3
71.57835	1.1
71.58215	1.5
72.99161	1.4
73.02787	3.8
75.00716	3.5
78.95757	1.5
83.01172	1.3
83.04870	1.4
85.02791	4.8
87.00719	2.4
87.08061	1.0
89.02271	4.7
91.01731	2.1
93.03304	2.7
95.01202	1.5
96.95853	2.6
99.00728	2.7
101.02306	8.4
108.03691	1.0
109.06435	1.1
110.58899	1.1
113.02288	5.9
113.02959	1.1
119.01254	6.9
119.03298	1.6
119.04833	3.4
121.02765	3.8
123.04416	1.9
125.02267	2.6
125.09589	1.5
132.02043	1.4
134.03548	3.2
135.04413	5.5
135.08002	1.2
137.02232	3.4
139.06046	1.0
145.02734	1.5
147.00682	5.0
148.56578	1.1
149.02338	15.1
151.00259	1.3
151.07501	1.1
152.00992	1.9
153.01666	2.1
160.01535	1.5
161.04416	2.1
163.03912	13.6
163.11108	3.3
164.04695	18.0
165.01726	1.9
165.12662	1.3
168.00513	1.5
171.10120	1.1
175.00270	41.3
176.00523	2.2
178.06306	5.1
179.06908	3.9
183.13547	1.0
190.02626	100.0
191.03061	5.3
193.01125	1.7
193.08600	6.1
205.04984	89.8
206.05276	5.4
209.09926	2.0
209.11751	31.6
210.12042	1.4
223.06029	31.2
224.06319	1.2
225.11220	1.3
241.04686	1.1
247.13303	1.1
269.04443	5.2
285.03946	2.7
379.67737	1.2
383.21945	3.0
387.19928	1.9
391.24890	1.2
401.23236	6.9
418.11823	1.2
419.23996	2.3
619.30481	1.6
637.28400	83.4
638.28894	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04541	0.4
58.00467	1.2
59.01252	31.6
62.43920	0.4
64.45525	0.6
71.01257	19.1
71.33799	0.5
72.01602	1.0
72.99178	0.7
73.02811	1.0
76.68840	0.4
83.01274	0.8
85.02823	4.5
87.00755	1.2
89.02319	20.9
95.01259	0.9
99.66520	0.4
101.02322	12.5
101.20961	0.6
108.02074	0.9
113.02333	7.7
115.03888	1.1
119.03381	8.6
119.04224	0.5
131.03407	0.8
133.04935	1.2
141.04115	0.6
143.03348	0.6
149.04512	0.7
152.01060	0.6
179.05540	0.9
191.56326	0.5
295.10336	100.0
296.10733	5.3
303.09296	0.5
315.07199	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80212	0.7
54.00039	0.5
57.03326	3.1
59.01245	14.1
61.98690	0.6
65.00211	0.7
68.99670	0.6
69.03318	4.1
69.25875	7.8
71.01250	12.6
72.99159	1.2
73.02814	4.0
75.00728	1.4
81.03323	1.4
83.01258	1.7
84.05695	0.6
85.02810	6.6
87.00756	4.6
87.04375	2.4
89.02312	12.9
90.76942	0.6
93.03326	4.7
95.01234	3.4
96.95895	4.5
97.02814	2.5
98.19724	1.5
99.00739	1.9
99.04340	1.1
101.02319	5.6
107.04870	1.4
108.02046	56.8
109.02853	17.1
111.00745	0.9
113.02311	7.5
119.01277	1.3
119.03368	1.5
119.04861	1.6
121.02815	5.2
123.00755	3.1
123.04381	2.3
124.01540	1.5
125.02309	6.0
129.01907	0.7
132.01985	0.8
133.02840	1.5
133.03998	1.2
133.04948	17.8
134.03644	3.5
135.00749	1.7
135.04414	3.3
137.02327	6.1
139.03882	0.7
141.04057	0.7
142.48105	0.6
143.03366	0.8
145.02850	1.2
147.04404	2.9
148.01546	1.5
149.02341	31.6
149.05911	1.6
149.07031	0.6
149.99512	1.9
150.03018	2.8
151.00253	2.1
151.03894	1.6
152.01048	78.6
153.01843	22.7
154.02217	0.8
159.21353	0.6
160.01559	2.3
161.02351	2.1
161.04457	2.1
163.03905	3.3
164.04688	21.9
164.24300	0.7
165.01903	1.1
165.05342	1.9
165.12735	5.8
166.02559	0.8
167.03383	2.3
168.00536	3.1
173.04482	1.0
175.00290	12.3
175.03897	2.5
176.01041	9.0
177.01825	2.0
178.02621	0.8
179.03372	2.4
179.05481	2.0
179.07039	2.3
181.18413	0.8
181.24797	0.7
183.13809	14.9
185.11751	1.1
190.02626	29.8
191.03348	13.1
191.05467	3.0
193.01395	1.1
193.04979	2.4
194.02045	0.7
205.05003	22.8
206.05363	2.1
208.03648	1.9
209.04442	2.2
209.11859	0.8
223.06064	16.7
224.06395	1.6
227.12830	21.7
232.03815	0.8
251.12811	2.9
255.02907	0.8
268.49579	0.7
269.04465	3.2
269.14993	0.6
269.17581	4.3
271.02328	1.1
281.13824	0.7
283.13406	0.7
285.03925	1.4
293.14047	1.6
297.06024	2.2
311.09195	2.5
315.07242	1.2
331.06558	4.1
341.13727	0.8
353.08884	1.0
367.10144	0.9
369.07959	0.8
373.25919	4.4
389.17892	3.1
389.25534	1.0
409.11594	0.9
413.10864	2.9
431.07529	1.4
431.12222	2.1
431.19019	1.4
445.18219	0.8
463.19699	0.7
469.13831	1.3
475.16092	1.3
503.12219	1.8
521.12799	4.1
593.15088	4.3
593.31702	1.9
637.17639	100.0
637.34894	5.7
638.17969	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	637.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
57.03320	1.1
59.01251	9.1
60.44415	0.5
65.00218	0.7
67.01761	0.6
68.48392	0.5
69.03326	4.4
69.29506	5.5
71.01248	10.8
72.99181	2.1
73.02833	2.4
75.00743	2.9
78.95773	1.1
79.01764	0.5
81.03326	2.0
82.95273	0.6
83.01254	0.9
83.02399	1.0
84.01914	0.8
84.94985	2.1
85.00300	1.1
85.02818	9.3
86.03155	0.5
87.00745	4.5
87.04397	0.7
89.02314	9.9
91.01759	0.9
92.94353	0.5
93.03318	4.6
93.87405	0.5
95.01257	3.4
96.95887	20.5
97.02818	3.0
97.95805	0.6
98.02323	1.2
98.20583	1.1
98.95468	13.3
98.96297	2.5
99.00777	3.2
99.01857	1.6
99.04411	0.6
101.02320	3.2
107.01275	0.6
107.04899	1.4
108.02052	67.8
109.02858	19.9
111.00758	0.8
113.02335	5.9
115.00238	0.6
117.03374	0.6
119.01267	1.6
119.03387	0.8
119.04903	2.1
121.02837	6.4
123.00765	3.1
123.04413	1.2
124.01574	1.3
125.02331	7.2
129.01851	0.6
132.02029	0.9
133.02844	1.3
133.04965	9.8
134.03621	3.6
135.00755	2.7
135.04420	3.5
137.02338	6.4
138.05356	0.5
141.04044	0.5
141.56055	0.5
143.03325	0.7
147.00789	1.0
147.04407	2.2
148.01547	1.0
149.02341	32.5
149.05954	1.0
149.99423	0.7
150.02971	2.1
151.00314	2.5
151.03920	1.6
152.01054	89.3
153.01840	27.8
154.02155	1.6
155.64909	0.5
161.02335	1.2
161.04420	1.0
163.03951	3.4
164.04697	25.5
165.01810	1.7
165.05408	2.4
167.03375	1.9
168.00526	1.4
169.01332	0.5
171.10196	0.9
173.04465	1.4
175.00256	11.7
175.02504	0.6
175.03897	1.8
176.01050	9.8
177.01733	1.9
179.03387	1.8
179.06923	2.7
189.01863	0.8
190.02637	33.4
191.03387	15.2
191.05492	5.6
192.03877	0.8
193.01305	0.9
193.04965	2.1
194.02237	1.0
205.05005	23.9
206.05237	1.2
207.02979	0.7
208.03734	1.4
209.04468	2.9
221.11824	1.1
223.06064	22.2
224.06439	1.1
224.86392	0.6
237.07585	1.3
239.12671	0.6
247.06094	0.8
249.06158	1.5
255.02898	0.6
257.04495	0.6
267.07001	1.1
269.04584	0.8
271.02478	1.3
271.09650	1.3
283.13330	3.4
284.03326	0.6
284.13809	0.6
285.03836	1.2
286.03998	0.6
297.06241	2.1
299.01959	2.6
299.05185	0.8
300.05954	0.9
301.14301	1.2
314.04431	3.8
315.07343	1.2
327.15924	0.7
329.06696	5.1
353.08987	0.5
369.08505	0.8
369.22705	0.7
371.24329	1.1
373.25757	1.5
374.11777	0.5
387.09213	0.9
387.24118	0.7
389.25464	7.6
413.10867	3.9
425.10580	0.6
429.10272	1.7
430.10620	1.0
431.11667	4.3
433.14944	1.4
445.18835	1.0
463.19727	2.2
469.13397	2.1
473.12921	1.2
475.10889	0.8
503.12225	2.6
521.13031	4.8
577.28387	0.7
593.15143	4.2
593.32117	0.7
594.15210	0.9
619.29999	0.7
637.17700	100.0
637.29254	10.1
638.18024	13.1
638.28625	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.7
59.01253	3.1
61.98689	0.7
65.00192	0.6
68.99687	0.3
69.03326	0.4
69.32854	3.2
71.01248	2.4
72.99174	1.1
73.02812	0.9
75.00726	1.0
77.03846	0.4
79.01738	0.4
83.01240	0.5
85.02838	2.5
86.34534	0.3
87.00732	0.9
88.98714	0.4
89.02315	1.1
93.03362	1.8
95.01260	0.8
96.95857	0.9
97.02802	0.5
98.19746	0.6
99.00724	0.8
101.02317	1.0
103.01751	0.4
108.02062	1.6
109.02824	1.1
111.00724	0.4
111.04417	0.5
113.02305	1.5
116.92673	0.5
117.02544	0.7
117.03345	11.3
118.03682	0.7
119.01266	0.3
119.04910	1.6
121.02837	6.9
124.01543	0.5
125.02326	1.7
129.01770	0.3
131.01283	3.3
132.02072	0.4
133.02798	0.3
134.03630	2.0
135.00746	0.7
135.04407	1.3
137.02325	0.7
145.02840	0.7
147.04399	1.4
149.02348	29.1
149.05962	0.7
149.99501	0.4
150.02745	1.2
151.00197	0.5
151.03806	0.6
152.01064	1.0
153.01834	1.8
159.04500	0.4
160.01593	0.5
161.02325	0.9
161.04446	0.4
163.03885	2.4
164.04701	19.2
165.01828	0.5
165.05096	0.7
167.03400	1.9
168.00549	1.2
171.10118	0.8
173.02345	5.8
173.03983	0.3
173.04457	0.4
174.98764	0.6
175.00296	12.5
175.03847	0.5
176.00624	0.5
179.03436	0.3
179.07028	3.8
183.04352	0.4
190.02574	1.9
191.03384	0.4
191.05450	0.6
193.01369	0.8
193.04967	2.0
193.06483	0.8
197.05940	0.6
205.05093	1.7
208.03658	1.1
208.05479	0.4
221.06163	0.7
223.06070	15.7
224.06444	0.8
227.03317	0.4
227.07025	0.4
237.05537	1.0
239.07086	1.0
249.05817	0.9
251.03313	0.3
263.07788	0.4
264.04214	0.5
265.05051	1.2
267.07007	0.4
269.04541	1.5
281.04538	2.4
282.05341	0.9
283.06100	16.2
284.06372	1.3
285.04050	0.9
285.20682	0.5
293.04547	100.0
294.04871	9.5
295.06058	2.0
309.03879	0.4
311.05600	25.0
312.06076	2.0
314.04276	0.6
323.05569	1.9
325.23917	0.7
331.06607	1.2
335.05624	1.1
341.06595	7.0
342.06979	0.6
353.06586	0.8
355.24838	0.4
357.08475	0.5
373.25919	5.6
413.08755	61.0
414.09052	7.1
431.09811	33.4
432.10175	3.1
443.11819	0.8
475.30511	0.9
513.58130	0.4
637.15485	0.4
637.35034	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	636.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36435	0.8
58.02850	9.4
59.01242	2.9
63.60240	0.8
69.52538	3.9
69.52960	2.2
70.02838	4.0
71.01250	1.0
72.00772	2.5
77.31955	0.8
85.02798	1.9
91.05402	2.2
93.03322	2.5
96.95914	1.5
109.02830	0.9
125.02367	1.1
135.04428	1.4
137.02338	1.5
147.04410	17.2
149.12541	0.9
150.03162	1.6
155.78868	0.9
164.07076	46.6
165.01886	1.1
165.05406	0.9
165.07309	1.9
173.04446	1.3
191.05577	3.1
194.59270	0.8
195.06613	1.6
196.06886	0.8
206.08150	100.0
207.08467	3.9
267.06885	0.8
516.57556	0.8
542.37463	0.8
636.16571	1.0
642.71716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.1
57.03318	0.4
59.01247	3.0
61.98697	0.2
63.01959	0.2
63.02258	1.8
63.02570	0.2
65.00171	0.9
65.03810	0.2
67.01757	0.1
68.29410	0.1
69.03310	0.3
69.27728	0.5
69.28150	0.8
71.01247	1.5
72.99162	0.2
73.02800	0.3
74.13271	0.1
81.03326	0.1
83.01254	0.4
83.04895	0.2
84.23415	0.1
85.02818	0.8
87.00761	0.6
89.02314	0.7
91.01765	0.7
93.03349	0.7
95.01257	0.2
96.95897	0.9
97.02802	0.1
97.06461	0.2
99.00748	0.5
101.02311	0.8
105.03336	0.2
105.39543	0.1
107.01268	1.8
107.04924	0.6
108.02036	0.3
109.02134	0.1
109.02832	2.1
109.03565	0.1
113.02353	0.7
113.03016	0.2
117.03331	3.5
117.68344	0.1
119.01227	0.2
119.03374	0.2
120.05725	0.2
121.02800	0.6
123.00783	0.2
123.04414	0.2
125.02311	0.5
132.01971	0.2
133.02847	0.4
134.03659	0.3
135.00771	1.3
135.04393	1.7
137.02371	0.6
137.09668	0.1
139.00229	0.1
141.04083	0.2
141.05484	0.1
145.02829	0.3
147.00760	0.3
149.02348	1.6
150.02946	0.2
151.00281	2.2
152.01016	0.4
152.04710	0.1
153.01833	1.6
155.04823	0.1
157.06525	0.2
159.04428	1.3
160.01549	0.2
161.02344	1.3
161.04420	0.2
161.09615	0.9
161.13272	0.4
163.03896	0.2
163.11230	0.2
164.04694	0.5
165.01778	0.1
165.05370	0.2
167.03407	0.2
169.06448	0.6
171.04440	0.2
171.10121	0.3
173.05917	0.2
175.00282	0.8
175.03914	0.4
177.01839	0.2
178.02605	0.2
179.03481	0.2
179.05473	0.2
181.06461	0.4
182.03656	0.2
183.04411	0.8
187.11200	1.4
189.09149	0.6
190.02632	2.1
191.03154	0.1
191.05504	0.4
193.04976	0.3
195.04430	0.1
196.05185	0.4
197.05991	0.7
199.03932	0.3
201.05479	0.7
203.03392	0.1
205.04979	1.6
205.12254	1.0
206.05325	0.2
207.10258	0.3
209.11749	0.4
212.46785	0.1
223.04132	0.1
223.05966	0.8
223.13245	0.2
224.04715	0.3
225.05508	1.1
225.14847	0.3
227.03421	0.4
240.04056	0.2
241.04948	0.2
242.05771	0.2
249.11255	1.2
250.11586	0.2
257.04367	0.2
257.08148	0.5
263.89960	0.1
267.12350	0.3
268.03790	1.0
269.04520	100.0
270.04849	8.0
271.02924	0.1
283.06158	0.7
284.03152	0.2
285.03925	0.5
287.05457	0.8
299.05304	0.2
341.23166	0.3
357.26630	0.1
367.10278	0.5
387.20248	0.5
413.08652	0.3
429.04944	0.2
429.10413	2.4
430.10709	0.2
431.10031	0.3
484.07855	0.1
497.09515	0.2
529.12024	0.9
577.31964	0.1
636.31433	0.2
636.72125	0.1
637.15607	4.1
637.32330	2.8
638.16046	0.7
638.32800	0.1
643.29156	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	635.307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	6.7
59.01249	55.5
61.03453	1.6
61.98705	2.4
65.94824	1.6
71.01251	22.2
72.99178	3.4
73.02829	6.2
74.24626	1.6
75.00743	2.9
78.95789	3.7
83.01273	3.7
83.04916	5.4
85.02831	11.7
87.00735	11.5
88.98692	6.2
89.02324	5.9
93.03367	2.7
94.48662	1.6
95.01280	4.8
97.06475	8.2
99.00768	2.0
101.02334	7.4
107.04911	21.4
108.02080	3.1
109.02855	4.6
113.02354	9.7
119.04965	3.4
120.05698	4.7
121.02866	3.8
125.02365	2.4
133.10124	2.1
134.03647	4.6
135.04420	10.3
137.02388	5.9
139.07610	1.6
141.04173	3.2
141.05464	3.3
149.02342	9.8
151.04066	2.3
151.07602	2.7
152.01099	3.2
152.04666	3.5
152.08340	2.5
153.01859	4.5
153.09137	8.4
160.01640	5.1
161.04488	3.2
161.09634	31.2
161.13264	15.2
162.09979	3.1
163.03966	4.5
163.11197	4.3
164.04666	11.0
171.10228	4.3
175.00317	11.8
175.04004	4.9
179.10669	2.4
183.13770	2.9
187.11206	38.1
187.12811	2.3
189.09122	21.5
189.10480	1.7
190.02635	29.7
191.03235	2.1
193.05063	6.5
200.86568	1.6
203.10762	6.4
205.04987	26.9
205.06746	2.6
205.12267	35.9
205.14024	2.5
206.05484	2.0
207.10190	8.8
209.11682	3.6
223.06076	16.8
223.07719	1.6
223.13431	5.6
231.10315	2.1
247.06281	1.7
249.11299	39.4
249.13710	2.8
250.11673	4.2
267.12366	17.2
285.04089	2.6
319.85263	2.1
354.18109	2.2
385.18796	2.2
515.32251	3.4
635.30865	100.0
636.31641	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	636.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86175	4.5
59.01242	15.8
62.94513	3.8
68.60966	4.5
71.01249	5.9
71.57520	7.5
79.36361	3.9
83.01252	6.2
85.02807	6.7
93.03333	7.3
96.95876	7.6
99.00761	6.4
101.02322	4.5
108.02024	5.6
109.02841	8.2
111.00761	6.1
111.04349	5.1
113.02308	7.5
117.03273	4.1
119.04923	5.6
121.02819	6.5
123.04430	6.6
125.02355	11.8
133.02832	6.6
135.04436	11.5
137.02341	9.1
139.00333	4.8
147.04393	9.3
149.02371	10.2
151.03874	6.5
153.01801	11.5
158.05638	4.6
163.03908	10.0
165.01877	8.1
165.05521	4.9
166.15639	4.1
167.03426	7.1
175.03880	5.9
177.01837	6.9
178.99707	4.0
179.03415	14.0
191.03528	4.2
191.05528	19.2
195.06500	9.3
203.03465	5.7
205.01309	7.9
205.04933	4.2
206.08255	7.3
207.02907	8.3
209.04478	8.3
227.03264	4.5
233.04605	4.4
235.02467	7.9
265.03549	5.3
285.04025	5.8
325.03348	7.2
329.06970	3.8
338.09021	5.0
343.04434	9.9
353.06610	9.5
373.05405	8.4
383.06641	5.5
384.07333	7.6
419.11618	5.8
426.08475	9.6
473.09995	5.8
498.10507	7.1
503.10776	6.7
510.54416	5.3
516.11804	24.3
517.11975	6.3
546.12506	16.2
563.14990	4.8
564.14105	4.4
579.13373	6.6
609.14838	5.5
618.14978	12.7
619.14783	6.5
636.15765	100.0
637.16022	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	635.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.8
59.01249	18.2
68.99721	0.5
69.03311	0.9
71.01249	9.6
71.04913	0.6
71.59604	0.6
71.61447	0.5
72.99182	1.1
73.02813	2.7
75.00742	1.0
78.06554	0.6
78.95795	0.6
83.01267	1.0
85.02824	4.3
87.00759	1.8
88.98686	1.5
89.02309	4.2
91.01745	2.4
93.03340	2.7
95.01275	1.4
96.95886	13.9
96.96854	0.6
97.02864	0.5
97.06489	0.5
99.00757	1.7
101.02338	3.5
107.04907	1.5
108.02041	1.3
109.02839	1.5
109.06456	0.6
111.00843	0.5
113.02315	3.6
113.03531	0.5
117.03400	1.1
119.01256	5.2
119.03380	1.3
119.04932	1.7
121.02840	8.7
123.04397	0.6
125.02358	1.8
128.07251	0.4
129.01794	0.5
132.02046	1.4
133.02863	0.7
133.04950	1.2
134.03671	3.4
135.04416	3.2
137.02335	1.7
137.09634	0.7
141.04094	0.7
145.02846	0.6
147.00761	4.2
147.04433	3.3
148.01555	0.8
149.02341	50.3
150.02814	2.1
151.03922	1.4
152.01057	1.7
153.01828	2.1
160.01582	1.2
161.02310	1.3
161.04460	0.9
161.09583	1.3
161.13243	0.7
162.03123	1.1
163.03896	3.1
163.11217	0.6
164.04698	44.1
165.01842	2.3
165.05005	2.3
171.10216	1.5
173.04483	0.9
175.00281	36.4
175.03914	1.5
176.00699	2.2
177.01843	1.2
177.05580	0.5
179.05621	0.9
179.07034	6.2
179.71710	0.5
187.11227	1.9
189.01743	1.1
189.09122	0.8
190.02634	89.8
191.03094	5.4
191.05489	0.7
193.04913	1.3
205.04991	92.0
205.12271	1.4
206.05365	6.0
207.02823	0.6
207.13826	0.6
208.03658	1.5
209.04529	0.7
209.11812	1.2
221.07999	0.9
223.06062	100.0
223.13246	3.7
224.06439	4.9
225.14882	1.0
232.03555	0.9
247.06071	3.6
249.06262	0.6
249.11198	2.3
250.87808	0.5
265.07202	2.1
267.12338	3.2
268.12656	0.5
285.03946	1.1
367.10376	1.1
369.19040	1.5
371.24673	0.5
385.11331	1.8
387.20221	1.2
429.17557	0.9
549.26349	0.7
575.25287	1.2
591.33417	1.6
593.25647	1.0
620.23730	0.7
635.26947	51.3
636.27197	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	635.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.4
57.03310	1.0
59.01249	14.8
63.35877	0.3
65.00248	0.4
69.03316	2.3
69.44323	3.0
71.01254	7.1
72.99180	0.8
73.02805	2.4
75.00745	0.7
78.95790	0.5
83.01260	1.3
85.02814	2.8
87.00752	1.2
89.02313	3.8
91.01743	2.1
91.05398	0.6
93.03345	3.1
95.01272	0.8
96.95898	2.0
97.02834	1.4
99.00746	1.4
101.02319	4.0
107.04922	0.9
108.02070	1.1
109.02843	0.8
113.02335	3.3
117.03339	1.0
119.01266	6.6
119.03400	0.7
119.04924	1.3
121.02831	8.6
125.02339	1.2
129.01848	0.4
132.02063	0.7
133.02832	1.4
133.04941	0.8
134.03635	3.2
135.04442	3.3
137.02351	3.5
137.09607	0.6
139.00258	0.4
143.06985	0.4
147.00772	4.8
147.04419	3.3
149.02341	52.0
150.02811	1.4
151.00224	0.6
151.03877	0.8
151.07706	0.4
152.01001	2.0
153.01860	1.3
153.05548	0.5
160.01587	0.9
161.02306	2.6
161.04494	0.7
162.03094	1.6
163.03911	3.4
164.04692	44.6
165.01852	2.3
165.05138	2.0
166.02585	0.9
167.03358	0.5
169.01376	0.4
173.04453	0.9
175.00279	38.9
175.03720	0.8
176.00623	2.1
177.01819	1.1
177.05489	1.1
179.03487	0.5
179.07066	6.7
181.04922	0.4
185.00778	1.9
189.01875	1.3
190.02632	99.7
191.03018	5.2
191.05557	0.8
193.04967	1.0
197.15430	0.5
205.04993	100.0
206.05313	4.9
207.02866	0.5
208.03680	0.6
209.04477	0.7
223.06059	91.7
224.06419	4.3
225.14935	1.7
235.48418	0.4
242.36919	0.4
247.13388	0.4
249.06154	0.7
264.32483	0.4
265.07059	0.6
284.03152	0.8
285.04077	2.8
369.19226	1.4
371.24280	0.5
387.20334	1.5
429.21619	0.9
488.44122	0.4
531.32233	0.6
549.26904	0.5
575.25037	0.6
591.24316	0.4
593.25696	0.6
605.25836	0.4
635.27008	65.4
636.17584	0.6
636.27484	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	635.2513
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
52.06161	1.9
58.99429	1.8
62.56939	1.7
63.56448	2.3
66.09566	1.8
70.92981	2.0
71.15411	4.1
74.92095	2.0
78.95777	15.2
93.59505	1.9
121.02658	1.7
128.29265	1.9
152.99483	8.2
160.05507	1.8
171.10199	6.0
183.89166	1.8
194.83371	2.1
206.93672	2.0
217.33929	2.3
255.23233	9.1
327.61990	2.0
334.08469	2.0
349.98285	2.1
391.22800	2.7
399.14172	4.9
419.18552	3.8
430.13858	3.2
458.17642	2.9
459.18597	2.3
473.20535	4.9
474.16898	11.8
475.17343	3.5
487.17969	3.4
488.18488	9.4
489.19437	9.8
490.20053	8.2
501.19342	2.2
505.22357	7.0
549.21484	6.8
575.22888	16.1
576.23688	11.1
635.25153	100.0
635.35040	5.8
636.25342	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	635.1614
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
59.01258	2.2
63.02272	1.0
64.69163	0.4
65.00199	2.4
82.95293	1.4
83.01237	0.8
83.02383	1.7
85.02811	0.8
87.00750	0.5
89.02328	0.8
93.03355	0.7
95.01273	1.0
96.95910	2.2
98.19829	0.9
107.01277	1.9
108.02013	0.7
109.02840	0.6
113.02336	0.7
117.03358	0.7
119.01163	0.4
119.04910	1.1
119.25692	0.3
121.02853	0.9
125.02294	0.7
131.04962	0.3
132.02119	0.4
133.02856	2.1
133.04971	1.5
134.03604	0.6
135.00737	0.5
136.98701	2.6
137.02345	0.6
139.00275	0.4
143.04909	0.6
149.02347	0.6
149.99487	0.6
151.00252	3.8
152.01031	0.7
153.01715	0.5
157.06494	0.5
159.04375	0.5
161.02406	0.4
163.00275	1.8
164.01076	0.5
164.98169	0.7
165.01843	3.4
165.99088	0.5
169.01294	0.5
169.06499	0.4
171.04448	0.8
173.04547	0.3
175.03929	1.2
177.01842	1.4
183.04388	1.2
184.05249	0.4
185.06042	0.9
187.03951	1.2
190.99829	0.6
192.00539	0.9
193.01390	0.5
195.04428	0.4
196.05295	0.4
197.05943	0.3
199.03911	1.5
200.04756	1.0
211.03955	1.4
212.04712	1.0
213.05495	2.1
215.03468	0.4
227.03415	2.8
228.04161	0.4
229.05038	1.0
239.03444	1.6
240.04237	1.0
241.04965	2.2
255.02927	3.6
256.03577	2.9
257.04553	3.3
267.02966	1.0
268.03821	0.9
269.04477	1.6
274.77585	0.3
283.02481	4.4
284.03241	44.5
285.04010	100.0
286.04340	6.1
299.05707	1.8
323.01358	0.4
327.05038	0.6
375.06668	0.3
387.55362	0.4
410.17593	0.3
418.77014	0.4
429.08273	0.6
471.09332	3.6
473.10568	0.4
489.10425	1.1
494.82846	0.4
575.13849	1.5
593.15106	2.9
594.15369	0.5
607.17004	0.4
635.16095	50.1
636.16382	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	635.1617
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
52.46544	0.3
57.03325	0.5
59.01250	5.7
59.01526	0.4
63.02281	1.5
65.00197	1.7
69.58195	1.5
69.58624	0.9
72.99177	0.5
73.02823	0.7
75.00752	1.7
83.01261	1.6
85.02814	2.3
87.00761	1.0
89.02333	0.6
93.03352	0.6
95.01281	0.6
96.95887	4.2
99.00764	0.9
101.02318	0.6
102.29986	0.3
105.03368	0.6
107.01267	3.2
109.02846	0.7
113.02315	2.4
121.02843	0.9
125.02352	0.5
132.02069	0.8
133.02831	6.0
134.03642	2.2
135.02876	0.8
135.04462	0.9
137.02304	0.9
148.01520	0.4
149.02342	2.3
149.99457	0.5
151.00269	6.7
151.01480	0.4
152.10925	0.3
153.01825	0.5
154.02658	0.3
160.01547	0.7
161.02377	0.8
163.03957	0.7
165.01929	0.4
169.01331	0.8
173.04504	0.8
175.03893	2.8
179.03360	0.5
183.04362	0.4
185.06075	0.5
190.02676	0.4
191.05548	0.7
193.05029	0.5
198.03166	0.6
199.03973	2.0
200.04645	0.3
201.01872	0.8
211.03961	1.4
215.03381	0.7
217.05016	1.5
223.03940	0.4
226.02698	0.4
227.03496	2.0
228.04230	0.5
229.04947	0.4
239.03615	0.7
241.05020	0.6
243.02962	0.6
249.06105	1.1
255.02986	2.5
256.03717	6.2
257.04498	0.9
267.07227	2.0
269.04471	0.9
283.02393	0.6
284.03247	94.5
285.04001	100.0
286.04388	6.2
297.04004	1.0
299.05688	0.4
309.03989	1.0
327.05115	1.3
327.08557	0.4
339.08719	0.7
342.10953	0.7
357.13431	1.5
369.13370	0.6
429.08264	3.4
429.48810	0.4
447.09225	1.3
489.10245	1.1
517.19354	2.6
575.13971	8.7
576.14368	1.3
593.15131	6.5
594.15240	1.0
635.15997	94.1
636.16394	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	635.161
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
54.22575	0.6
57.03331	0.9
59.01246	7.9
63.02288	1.3
64.99932	0.6
65.00226	3.1
67.41205	0.7
69.03331	1.0
71.01264	4.0
71.57929	1.3
72.99184	0.8
73.02839	2.0
75.00761	1.8
75.08247	0.8
83.01285	1.2
85.02827	3.5
87.00768	2.2
89.02340	1.3
93.03383	2.0
95.01276	1.3
96.95888	3.9
99.00835	0.8
101.02324	1.7
105.63373	0.7
107.01305	2.3
108.02016	0.9
109.02869	0.8
113.02361	2.8
116.92828	0.7
117.03318	1.4
119.04939	1.4
121.02888	3.1
125.02372	1.6
129.01865	1.0
133.02878	3.0
134.03659	2.5
135.02826	0.9
135.04453	2.8
136.98727	2.3
137.02397	2.5
147.04494	0.9
149.02371	2.9
151.00284	5.6
152.00957	1.1
153.01859	1.1
161.02359	1.3
163.00319	2.8
163.03998	1.2
164.04735	2.1
165.01866	6.8
165.98996	1.4
173.04500	1.6
175.00264	0.8
175.02542	0.9
175.03964	3.2
177.01884	1.7
185.06108	1.4
187.04001	1.5
190.02661	1.4
191.05562	2.6
192.00534	1.2
193.01361	0.9
193.05003	1.2
199.04066	1.5
205.05057	2.1
211.03949	1.5
212.04755	1.3
213.05542	2.4
223.04068	0.9
223.06158	2.2
227.03371	4.2
229.04979	1.4
239.03450	2.1
240.04198	1.8
241.05032	2.7
255.02956	5.8
256.03619	4.6
257.04645	4.7
267.02963	1.3
267.07266	2.1
268.03583	1.0
269.04565	2.9
283.02554	4.6
284.03247	58.2
285.04013	100.0
286.04404	7.4
299.05612	1.8
327.05112	1.7
387.23563	1.0
429.08142	1.7
471.09091	1.2
489.09811	0.9
515.13690	1.0
517.18964	2.9
575.14069	14.7
576.13666	2.3
593.15033	14.4
594.15167	2.5
635.15906	50.0
635.25458	3.2
636.16498	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	635.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41627	0.1
52.98721	0.1
57.03307	0.3
59.01247	1.9
67.83744	0.1
69.03311	0.1
69.58042	1.0
69.58376	0.2
71.01246	1.2
71.43324	0.2
72.99200	0.2
73.02816	0.3
75.00748	0.7
75.57092	0.1
78.95774	1.7
79.95602	2.7
83.01267	0.1
83.02407	0.2
85.02808	0.9
87.00739	0.4
89.02319	0.6
91.01732	0.2
93.03330	0.4
95.01239	0.2
96.95886	100.0
96.96879	3.0
97.95825	0.4
98.02348	0.2
98.19851	0.2
99.00761	0.3
101.02306	0.4
103.03889	0.1
108.02035	0.4
109.02843	0.7
111.00757	0.2
113.02348	0.9
118.97697	0.1
119.04929	0.2
121.02867	0.2
123.00748	0.2
123.04382	0.3
125.02313	0.2
129.01857	0.2
133.02849	0.2
133.04950	0.4
134.03609	0.9
135.00768	0.4
135.04375	0.2
137.02336	0.3
145.02884	0.2
149.02327	0.4
149.06001	0.2
150.03101	0.2
151.00237	0.3
151.03876	0.2
152.01070	0.8
153.01823	0.6
154.01323	0.2
160.01576	0.5
160.04106	0.1
161.02365	0.3
163.03862	0.2
164.04771	0.3
165.05415	0.2
173.04446	0.3
175.00272	0.3
175.03928	0.5
177.01884	0.2
181.04948	0.2
185.11790	0.1
185.29066	0.1
190.02666	0.3
191.05553	0.7
193.04973	0.6
205.05081	0.4
223.06065	0.3
249.06105	0.4
250.98668	0.3
251.99208	0.2
255.02974	0.3
267.06821	0.2
269.04556	2.4
270.04794	0.2
281.08850	0.2
283.02606	0.2
284.03232	1.3
285.04028	1.2
299.05545	0.9
353.10391	0.4
387.23907	0.4
429.10373	0.8
527.06787	0.2
560.14844	0.2
605.17468	0.2
617.18402	0.4
635.15216	1.1
635.27789	0.8
636.16248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1611
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
59.01244	1.3
63.02266	2.0
65.00205	1.5
69.26818	3.9
83.01262	1.3
85.02873	0.4
94.71524	0.3
96.95885	0.7
100.37859	0.3
105.03317	0.7
106.60839	0.3
107.01269	3.3
109.02837	0.9
121.02831	0.5
122.21775	0.4
125.02342	0.7
127.46605	0.3
132.02109	0.3
133.02846	5.8
134.03635	1.3
148.01570	0.6
149.02362	2.2
149.03377	0.4
149.99515	0.6
151.00266	5.6
161.02341	0.5
169.01366	0.5
172.05052	0.3
172.26070	0.4
175.03908	3.0
183.04367	0.4
185.06021	0.6
187.03934	0.5
188.04613	0.4
189.05432	0.4
199.03947	2.8
200.04637	0.5
201.01831	0.9
211.03937	1.4
212.04675	0.6
213.05522	0.7
215.03331	0.8
217.04974	1.6
226.02727	0.4
227.03444	1.9
229.05087	0.5
239.03468	1.0
241.05078	1.0
243.02924	1.0
255.02954	2.1
256.03720	4.7
257.04419	0.7
283.02460	1.1
284.03250	80.5
285.04004	100.0
286.04361	7.3
297.03986	0.4
309.04099	0.6
327.05090	1.0
340.86874	0.3
471.09424	0.4
489.10300	2.2
593.15344	1.0
635.16113	82.2
636.16412	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	634.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.5
63.02245	2.2
65.00192	4.0
69.03323	2.2
83.01263	2.5
85.02802	2.3
87.16300	1.3
93.03286	2.4
96.95876	2.8
98.19808	2.7
101.02291	1.6
105.02493	1.2
107.01254	5.3
108.02045	2.1
109.02836	7.9
113.02357	1.7
117.03345	3.5
119.04905	2.6
121.02832	3.1
124.01509	1.7
125.02361	9.5
133.02803	4.2
137.02344	49.2
138.02629	1.8
143.35155	1.9
145.02846	2.5
147.04486	1.8
149.02309	2.8
150.99274	1.8
151.00287	18.8
152.01053	2.0
153.01826	8.4
154.02211	1.5
156.04411	2.0
160.03891	2.0
160.26678	1.2
161.02322	3.3
163.02649	2.1
163.03893	1.7
163.52681	1.4
164.03426	46.0
165.03734	2.0
168.00589	1.4
174.05511	2.2
175.03902	4.1
177.01810	4.9
179.03371	5.0
185.06035	1.5
188.03419	1.7
191.03447	2.0
191.05470	1.4
192.00439	1.4
193.01251	2.0
199.03894	2.3
201.05498	1.5
205.01300	3.5
206.04515	4.8
215.03430	1.7
217.04921	2.8
227.03401	2.9
229.05054	3.7
231.01624	2.5
232.02428	5.1
241.04919	3.9
243.02838	2.0
253.05104	2.5
255.02940	1.8
256.03674	3.0
256.06134	2.4
257.04520	11.3
267.03009	2.6
268.03705	4.3
269.04465	7.4
271.06067	4.7
281.04462	13.5
283.02380	1.6
283.05887	3.3
284.03003	12.4
284.05692	6.1
285.04010	100.0
286.04459	7.7
298.07156	5.4
299.05582	7.2
307.04672	1.8
308.05667	25.0
326.06665	47.1
357.13181	1.5
368.07813	1.7
472.14511	24.9
473.14856	3.5
483.76260	1.5
514.15387	3.3
529.83942	1.5
540.13300	3.2
593.14966	13.2
594.15277	1.8
606.18042	6.1
607.16168	1.8
616.16486	8.8
617.16632	2.6
634.17688	74.1
635.17798	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	634.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28997	4.0
59.01249	25.9
69.60007	27.0
71.01249	9.2
71.83422	3.0
73.02820	3.5
85.02823	12.7
89.02303	5.5
93.03311	8.1
95.01258	5.0
101.02354	6.3
108.02096	3.4
108.30150	4.1
109.02850	6.9
113.02325	5.2
117.03342	11.1
119.04929	4.3
122.02363	12.5
123.04316	4.0
125.02328	4.5
131.01294	6.5
133.02870	5.1
135.04430	4.2
136.01564	5.1
136.08464	3.6
137.02325	11.3
141.21880	3.3
145.64786	3.3
148.01501	6.4
149.02333	15.9
151.00269	3.9
151.03854	5.2
152.01015	3.8
153.01784	8.3
160.04002	3.6
161.02345	15.2
163.00240	5.4
163.02629	14.4
163.03860	5.1
164.03300	5.8
165.01807	5.4
166.02675	5.0
169.58192	4.5
173.02374	3.8
175.00267	16.3
175.03897	5.0
176.01054	4.6
177.01762	5.5
179.03429	14.7
188.03426	12.4
191.03561	5.7
191.05493	7.1
193.01288	6.0
200.03404	4.3
200.57747	3.9
203.03455	6.5
205.01422	4.7
205.03540	5.1
206.04504	10.3
218.04472	5.4
230.04506	15.0
253.05000	7.3
269.04575	4.6
271.06003	6.0
281.04459	10.3
283.05981	8.2
284.03305	7.1
285.04092	9.0
293.04584	29.3
295.06018	12.0
297.03708	7.7
298.04752	12.9
299.05600	18.0
305.03918	4.0
308.08228	20.4
309.04056	25.1
311.05496	16.0
322.07230	7.4
323.05447	8.7
327.04980	24.0
332.05637	8.6
338.07007	4.3
339.07425	6.2
340.08231	4.5
341.06366	4.6
350.06586	31.2
352.10315	16.1
357.06039	9.8
367.06848	8.2
368.07651	11.3
380.07397	5.4
398.08743	6.1
413.08908	8.7
429.08344	4.0
431.09705	7.5
452.09958	5.5
470.10953	9.3
472.14795	40.6
473.10428	7.4
496.12253	5.8
514.13562	51.8
515.13544	7.6
521.44934	5.1
577.15552	12.9
579.66382	3.9
593.15118	13.7
616.17004	18.0
634.17639	100.0
635.17786	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	633.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28291	1.5
59.01250	100.0
71.57577	2.1
78.95778	5.8
79.83752	1.4
81.62806	1.4
81.73270	1.3
100.27380	1.6
110.81453	1.2
124.43708	1.4
144.98401	1.6
152.99492	5.5
223.13341	7.1
255.23323	2.3
293.21140	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	634.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.2
62.05770	0.6
63.02276	1.7
65.00185	2.9
70.89295	1.7
74.82346	0.6
82.45468	0.6
82.66560	0.6
83.01263	2.6
85.02802	1.0
85.48459	0.5
89.02335	0.7
92.82913	0.6
93.03339	1.4
94.02847	0.6
95.01259	0.9
96.95894	2.0
99.00767	0.9
107.01270	6.2
108.02062	1.3
109.02827	3.3
113.02348	0.9
117.03355	1.2
119.04919	1.2
121.02846	1.4
123.00765	1.1
123.04396	0.5
125.02338	3.4
131.04800	0.7
133.02846	5.4
134.02353	0.6
134.03601	1.2
135.04393	0.7
137.02338	12.4
138.02586	0.6
145.02890	0.8
149.02325	1.7
151.00273	16.5
151.01500	0.9
152.00990	1.4
153.01823	1.0
156.04362	0.7
160.03937	0.9
161.02335	1.2
162.01875	2.3
163.02669	6.4
163.03891	1.0
164.03438	7.0
165.01839	0.8
165.05473	0.6
169.01402	1.1
171.04521	0.6
173.04454	0.8
174.05489	1.2
175.03934	2.4
176.00989	0.6
177.01822	2.1
178.99744	1.9
179.03409	2.0
183.04405	1.2
185.06056	0.8
187.03992	0.8
191.05562	1.2
193.01329	1.2
193.05020	0.7
195.04323	0.7
199.03932	2.4
200.04779	0.7
205.01360	0.7
206.04527	1.9
211.03981	1.1
212.04655	0.8
213.05539	0.7
215.03516	0.8
217.05014	2.0
227.03395	4.0
227.06960	0.8
229.05014	2.0
231.01640	1.2
232.02205	0.9
239.03387	0.7
240.04179	1.1
241.05011	1.8
241.25650	0.6
243.02892	1.0
253.04956	1.2
255.02982	4.9
256.03705	7.4
257.04587	4.6
267.02875	1.1
268.03726	2.9
269.04520	6.4
271.06052	7.0
280.03549	0.7
280.06381	0.7
281.04523	4.6
282.04630	1.2
283.02377	2.2
283.04858	1.2
284.03210	71.3
284.05515	3.9
285.04019	100.0
286.04562	2.8
297.03928	0.6
298.07214	1.5
299.05566	1.2
307.04706	3.2
308.05392	5.3
310.03589	1.3
315.07242	0.8
325.05850	1.9
326.06528	5.3
327.04852	1.2
342.70377	0.6
367.95737	0.9
447.09039	0.9
455.08945	0.6
459.11411	1.1
472.14560	12.4
473.15054	0.9
489.10388	2.3
514.15405	1.7
540.13629	2.2
589.15100	0.8
593.15057	12.0
594.15167	0.9
600.91644	0.8
606.18408	4.9
607.17169	1.6
616.16223	3.1
634.17633	37.5
635.16223	79.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2554
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
57.02089	0.2
57.03315	0.4
59.01248	9.9
65.00206	0.8
67.01752	0.3
69.03307	0.5
69.45367	0.8
69.45797	1.3
71.01251	4.9
71.31618	0.2
72.99183	0.5
73.02811	2.0
75.00756	0.4
83.01255	0.9
83.04927	0.3
84.74750	0.3
85.02824	1.8
87.00729	0.6
89.02316	1.0
91.01746	2.1
91.05396	0.4
93.03328	1.9
95.01295	0.7
96.95876	2.3
97.02799	0.5
99.00739	0.8
101.02332	1.8
107.04890	0.8
107.36785	0.3
108.02064	0.5
109.02840	0.9
111.00769	0.4
113.02343	1.8
117.03329	0.5
119.01268	7.3
119.03384	0.4
119.04899	1.0
121.02843	5.9
123.00739	0.5
123.04430	0.4
124.01608	0.3
125.02311	0.9
129.01845	0.3
130.30783	0.3
132.02034	0.9
134.03604	1.9
134.68198	0.3
135.04396	2.2
137.02335	1.0
138.06760	0.6
143.03416	0.6
147.00758	5.1
147.04399	2.4
149.02339	35.9
150.02737	1.2
151.00267	0.3
151.03888	0.4
151.07571	0.6
152.01059	0.6
152.08322	0.4
153.01747	0.4
153.09106	2.0
160.01607	0.6
161.02353	1.5
161.04396	0.3
161.09613	0.8
162.03111	1.2
163.03871	2.8
163.11153	0.4
164.04691	36.3
165.01852	2.5
165.05109	1.5
165.09026	0.3
165.12636	0.3
167.03444	0.4
169.05005	0.4
171.10205	1.0
175.00278	41.9
175.03856	1.2
176.00595	1.8
177.01811	0.5
177.05470	0.4
179.03407	0.5
179.07054	6.0
187.11217	0.4
189.01868	1.3
190.02631	100.0
191.02991	4.5
191.05586	0.4
193.01277	0.6
193.04985	0.9
205.04990	88.0
205.12276	2.0
206.05345	5.1
207.02837	0.6
208.03700	1.0
209.04448	0.5
210.86781	0.3
221.08139	0.4
222.05313	0.5
223.06056	90.1
223.13313	1.1
224.06403	4.3
239.40730	0.3
247.06059	0.6
265.07214	0.3
265.10709	0.5
285.04028	0.8
298.04764	0.9
300.02466	0.4
301.03735	0.5
383.11227	1.8
409.11374	1.0
443.03751	0.3
517.17450	0.4
529.30420	0.6
547.30975	0.5
573.23254	3.0
574.23474	0.5
591.24561	0.8
618.23175	0.4
633.25427	49.4
634.25909	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	632.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08825	0.6
59.01233	1.2
63.02279	1.2
65.00188	1.5
65.99715	1.4
69.54025	2.3
69.54440	1.6
71.01256	1.2
72.99989	0.5
79.71964	0.5
83.01274	1.6
85.02823	0.7
90.56212	0.5
93.03340	1.0
95.01271	0.6
98.19784	1.0
101.02368	0.6
102.25751	0.4
107.01266	2.8
109.02832	2.0
113.02312	0.9
117.03365	0.7
119.04897	1.9
121.02824	1.0
123.00824	0.5
123.04373	0.5
125.02315	1.7
130.40189	0.5
133.02869	1.3
135.00719	0.6
135.04443	1.4
137.02296	0.8
145.02872	3.7
147.04399	1.3
149.02385	1.3
149.99490	1.0
150.03107	0.6
151.00262	9.2
152.01006	0.7
153.01854	0.9
161.02399	3.4
163.03903	1.6
165.05423	0.6
168.00468	0.7
169.01382	1.0
169.25555	0.5
171.03154	0.8
172.03935	1.8
173.04527	0.9
175.03900	1.2
183.04463	0.7
186.01855	0.9
189.01839	0.6
191.05489	1.4
193.05042	0.7
195.06535	0.9
196.05183	0.9
197.05939	0.7
198.01773	1.0
199.03970	0.7
201.05498	0.9
211.03946	1.1
211.90106	0.5
213.05495	0.6
217.01178	0.5
225.05536	2.0
227.03488	2.9
229.05037	3.6
240.04274	1.1
241.05043	4.2
242.02164	1.2
243.02904	0.7
251.03322	0.9
253.05022	2.3
255.02980	10.5
256.03638	2.1
257.04544	17.0
267.02893	1.2
268.03674	3.3
269.04544	9.8
279.02933	1.5
280.03531	0.9
280.06277	1.6
283.02429	5.2
284.03232	12.8
285.04028	40.5
286.04379	2.9
287.05621	0.8
288.05832	0.6
292.47275	0.7
296.03275	2.4
297.04034	61.8
298.04468	5.4
299.05551	1.6
300.02728	0.6
306.04132	1.7
313.03513	2.7
322.03537	0.9
323.04343	14.0
324.05106	51.3
325.05621	4.2
331.06650	0.7
366.06107	0.8
447.09204	9.1
448.09274	0.9
468.09439	2.1
471.11639	1.7
565.15582	1.9
592.14301	5.3
593.14697	0.9
605.14838	2.5
632.16156	100.0
633.16516	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	631.2765
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
59.01250	16.3
61.98685	3.0
69.95499	1.0
70.98480	2.8
71.01254	5.8
73.02832	1.4
75.00735	1.7
78.95783	1.4
83.01241	2.0
85.02802	1.9
87.00740	1.3
87.64681	1.1
89.02296	2.8
94.06499	9.6
96.95878	5.9
101.02312	2.7
101.90053	1.0
106.06547	1.1
109.02803	1.8
110.05975	7.3
113.02342	2.7
120.08072	2.6
122.06010	17.0
125.02328	1.3
133.04953	1.4
134.05997	5.2
136.07558	9.8
137.02362	1.9
153.01912	1.2
160.03949	2.0
161.02374	1.3
161.07143	4.8
162.05478	1.7
171.10083	2.7
173.04657	2.2
174.05545	16.3
185.11740	12.5
201.11345	6.5
203.05824	3.2
209.11760	11.8
211.13342	10.8
215.11781	4.1
217.00038	1.3
223.08696	2.0
227.12756	1.9
237.10251	6.5
239.11836	3.8
241.13449	19.8
242.23611	1.3
243.14964	13.7
251.11841	1.7
253.09227	4.4
264.08969	2.6
265.09726	2.1
267.07654	1.4
277.09723	2.1
278.10620	1.8
279.11429	2.1
281.09302	1.4
282.10120	2.6
283.10818	3.9
285.04099	1.8
287.13992	25.2
288.14304	2.3
292.12018	1.3
293.12854	2.8
295.14374	1.5
301.11749	1.5
309.03983	1.5
311.10297	3.6
312.11133	6.0
313.11792	4.1
343.13055	5.4
345.14966	1.5
346.19281	1.5
353.10315	5.8
358.15561	2.6
359.16443	1.8
370.19333	2.4
372.17236	9.7
373.17731	3.2
374.18521	2.1
386.14905	3.9
387.15591	1.2
399.15915	1.4
400.16650	13.1
402.18079	1.6
405.16953	2.4
411.03601	1.2
414.18164	13.5
415.18832	4.8
418.17712	1.3
430.17365	1.5
432.19211	1.4
483.24136	2.3
495.23679	6.2
513.25128	12.5
514.25641	2.2
525.24976	2.4
537.24976	8.7
538.25024	1.5
555.26154	24.4
556.26459	3.5
557.24158	1.4
558.24951	3.0
569.24274	2.2
581.23688	2.1
593.14471	1.5
599.25037	24.5
600.25403	3.1
613.26862	4.0
628.71722	1.3
631.27722	100.0
632.28101	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	631.277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26337	1.4
55.00461	1.4
55.04676	1.5
55.81236	1.5
57.03312	2.4
59.01251	13.2
60.91071	1.5
61.98697	2.7
71.01254	11.0
75.00734	2.2
85.02832	5.4
87.00756	2.6
89.02309	3.6
95.01261	2.7
95.04901	2.8
96.95893	6.6
97.02827	4.5
101.02311	4.7
105.05737	1.8
107.03668	6.7
108.05663	2.4
109.02871	4.3
110.06003	10.2
111.04417	2.5
113.01572	1.6
113.02358	5.0
113.05975	4.0
120.04431	1.5
120.08077	51.8
121.05205	3.4
121.08430	2.1
122.03654	4.9
122.06008	86.2
123.04362	2.1
123.08036	2.9
125.02296	2.6
125.05952	3.9
134.03676	3.2
134.05989	5.2
135.04433	3.0
135.08022	2.2
136.05203	2.3
136.07574	2.2
137.02301	2.9
138.06764	5.7
139.07529	11.7
139.28749	1.5
141.04065	2.0
144.04471	5.8
149.02342	4.8
151.03856	1.8
151.07561	23.4
152.04718	3.4
152.08347	11.5
153.09114	5.6
160.01578	2.0
160.03940	2.8
161.02415	1.9
161.04539	2.3
162.05525	4.5
163.03931	2.1
163.07556	2.3
164.04695	3.9
164.07065	3.9
171.10185	3.2
174.05557	8.8
175.00296	4.1
175.03943	2.9
177.01747	1.6
185.11700	3.7
188.03461	3.0
190.02643	12.7
193.05022	3.5
201.11151	1.9
201.12773	8.5
203.05806	8.4
203.10762	2.7
204.11523	10.5
205.05006	19.3
206.05405	2.3
209.11780	2.8
211.13461	1.8
211.47676	1.8
219.13882	19.6
223.06059	6.7
223.08615	3.7
236.09550	5.9
237.10284	9.5
239.11833	2.1
241.13402	4.8
243.15028	1.9
249.10330	4.8
249.14027	4.3
250.11110	3.5
251.08134	2.3
251.11874	40.5
252.12517	4.9
253.09660	2.8
253.13492	2.1
263.08212	5.0
263.12903	25.2
264.09061	9.9
264.12781	1.8
265.10034	4.1
265.13470	9.5
266.10599	2.4
267.10861	1.8
268.08435	2.5
269.09293	3.4
271.02917	1.8
276.09039	6.2
277.09793	35.4
278.10559	19.6
279.11295	7.4
280.12088	2.9
281.09335	3.8
281.13010	1.6
282.10278	3.8
283.10818	4.3
285.12408	2.0
286.04651	2.3
287.13977	4.7
291.11368	43.0
292.12140	44.3
293.09576	1.5
293.12894	40.6
294.13431	4.3
295.10950	3.4
296.11603	3.4
301.12036	2.6
309.12469	2.0
311.10477	3.2
312.11096	3.0
313.12219	2.6
324.11203	9.6
325.12061	3.9
325.15527	2.9
335.10391	10.2
336.11105	17.2
337.11920	11.8
343.13019	4.8
358.15527	2.3
359.16162	1.8
360.17010	7.7
361.17914	1.8
367.10330	21.0
372.17184	12.3
373.17856	3.8
374.18765	5.4
377.17578	1.7
386.15060	2.7
390.18268	8.8
392.19818	2.0
400.16437	4.3
402.18472	4.7
404.16092	3.1
406.17789	2.9
414.18237	16.9
415.18854	8.0
418.17673	10.1
419.18304	2.0
432.19415	12.2
433.19980	3.2
436.18967	6.1
458.17203	6.6
459.17914	8.3
476.18198	37.3
477.19067	20.0
477.30252	2.8
478.19659	4.9
490.19897	7.7
495.24506	2.7
508.20898	100.0
509.21426	14.3
513.25378	3.6
525.24982	3.7
537.24939	16.2
538.25842	3.0
555.26190	23.5
556.25977	2.6
569.24689	3.1
581.24426	10.7
582.23779	1.9
593.26672	2.4
599.25098	96.1
600.25470	18.2
613.26978	5.8
631.27887	79.5
632.28479	14.6
657.55640	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	25.0
60.46741	1.6
61.98680	2.7
69.03333	1.7
69.62733	4.8
69.63166	6.8
70.49599	1.8
71.01231	4.9
82.55808	1.7
85.02827	3.5
85.56211	1.8
87.00718	1.7
89.02293	3.0
94.06490	15.2
95.04909	1.9
95.16872	1.4
96.95855	2.8
99.00735	1.8
101.02303	3.8
109.02838	2.6
110.05991	11.6
122.05994	18.4
125.02311	2.9
130.06525	1.8
134.05963	5.8
136.07565	7.0
146.06061	2.2
152.01022	2.1
152.72102	1.6
161.04576	2.6
161.07100	5.8
162.05489	2.1
171.10129	4.7
174.05505	22.0
177.01962	1.9
181.98711	1.7
185.11746	16.2
201.11221	5.8
203.05731	3.4
207.10178	2.2
209.11740	11.3
211.13286	5.4
215.11832	3.9
217.00203	2.2
225.10349	1.9
227.11931	2.1
237.10278	8.9
239.11951	3.7
241.13338	15.6
243.14998	16.6
253.09244	3.6
264.08884	2.2
265.09781	2.3
267.11481	2.1
270.05139	1.5
278.10443	2.8
279.11240	2.0
281.09244	2.5
282.09988	3.3
283.10785	5.0
287.13962	29.2
293.12888	2.2
301.12140	3.4
311.10333	4.5
312.11041	5.7
313.11801	6.1
325.11868	2.2
343.12961	6.0
356.17816	1.9
358.15533	2.1
370.19449	2.1
372.17194	10.0
373.17984	3.1
374.18704	2.1
386.14957	5.5
400.16693	14.4
401.17206	2.1
405.16806	3.6
414.18173	14.9
415.18906	5.6
432.19342	2.4
487.27560	1.9
495.23920	8.4
511.26678	2.9
513.25043	15.0
514.25433	2.4
525.24976	2.3
537.25214	9.3
555.26025	25.5
556.26727	4.9
558.25104	2.4
581.23737	4.9
599.25134	28.8
600.25281	7.0
613.26227	3.6
626.07050	2.2
631.27637	100.0
632.27887	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	631.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81639	0.1
56.14278	0.2
56.65546	0.2
57.03304	0.2
59.01257	0.4
71.01257	0.4
79.95611	2.5
83.01245	0.2
85.02821	0.3
87.00707	0.2
96.95886	100.0
97.95799	0.2
101.02283	0.2
109.02827	0.3
125.02300	0.5
133.02852	0.2
135.04391	0.3
149.02309	0.2
150.46956	0.2
151.00259	0.4
152.01045	0.3
153.01874	0.3
165.01839	0.2
165.05424	0.2
168.00513	0.2
173.04555	0.3
177.01820	0.2
179.03473	0.2
191.05576	0.3
195.06554	0.2
199.03960	0.2
230.22018	0.3
255.02960	0.4
269.04315	0.2
273.91757	0.2
283.02426	0.4
284.03226	1.6
285.03998	3.0
286.04324	0.3
299.05652	0.2
323.97864	0.2
437.49615	0.2
470.51895	0.2
489.10419	6.0
490.10675	0.7
534.75616	0.2
587.12531	0.2
601.18610	0.2
631.20209	0.2
632.15662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04100	0.8
58.42989	0.8
59.01254	18.8
61.98707	2.4
69.03326	1.4
71.01266	6.5
71.59653	1.7
72.99181	0.9
73.02829	1.5
85.02822	4.0
87.00746	1.1
89.02323	2.8
93.03344	1.8
94.06472	1.0
95.01301	0.9
95.04910	0.9
96.95875	2.9
99.00768	1.6
101.02319	3.3
102.55015	0.9
107.03660	1.1
108.02031	1.2
108.08116	1.1
109.02868	2.2
110.06006	5.8
113.02309	2.6
119.03375	1.4
120.04438	1.3
120.08092	2.3
121.02850	2.2
121.05206	3.5
122.06022	21.2
123.04448	1.8
125.02345	1.3
130.06541	1.8
134.03635	2.0
134.06046	8.1
135.04446	2.0
136.05190	2.6
137.02338	2.6
149.02356	1.2
151.00212	1.6
151.07555	12.4
152.01080	2.5
152.07903	1.4
152.99443	1.1
153.01883	1.7
159.05589	1.8
160.01546	1.0
160.03970	1.2
160.06328	9.9
161.04640	2.7
162.05475	1.5
165.01796	1.4
171.10158	2.5
174.05522	7.1
175.03964	1.2
183.10066	1.5
185.11809	1.9
186.05580	1.0
190.02570	1.1
193.05029	1.6
195.06494	1.2
198.12834	1.4
199.09726	3.0
201.11406	0.9
203.05794	2.7
205.05138	1.6
209.11758	2.0
211.13338	2.5
213.10283	38.9
214.10524	1.6
214.12411	1.0
215.11880	2.1
223.06096	1.7
223.08490	2.1
225.10298	3.1
226.11044	3.7
236.09358	1.3
237.10281	1.2
239.11859	18.0
240.12292	1.9
241.13431	20.5
242.13834	1.2
249.10373	1.2
251.11946	4.6
255.02928	1.2
265.09875	1.0
277.09531	1.8
281.09445	1.1
283.10791	3.6
285.03970	3.0
285.12454	100.0
286.12775	6.7
293.12845	7.8
299.05573	1.4
301.11960	3.8
311.10413	1.7
313.11990	1.8
328.10782	3.4
328.14542	1.5
329.12128	1.5
329.15674	1.8
330.16257	1.7
341.11301	1.7
342.16083	1.5
343.13043	8.2
344.13544	1.1
344.17633	2.9
345.18585	1.4
354.12241	1.7
354.16113	3.5
355.13181	1.7
356.14105	10.1
357.14603	2.0
358.15683	1.1
368.17709	2.7
369.14215	1.5
369.18524	1.3
370.15634	15.7
371.16229	5.5
372.17218	6.5
382.11765	2.3
383.12476	1.9
384.13376	3.1
384.17636	1.5
389.13986	1.0
397.14270	2.8
398.15118	14.9
399.15710	1.6
403.15479	4.3
412.16595	11.1
413.17297	7.1
456.15564	1.5
457.15851	1.9
481.22232	2.3
485.25375	2.8
491.24240	1.9
493.22586	5.8
511.23465	13.2
512.24042	2.7
523.23212	4.3
535.23486	27.8
536.23846	3.2
553.24548	57.9
554.24707	9.6
556.23309	4.7
567.22607	1.1
579.22485	9.3
580.22870	1.3
585.26666	1.2
597.23535	65.8
598.23956	13.1
600.24829	1.0
611.24994	2.8
629.26190	29.6
629.38397	7.5
630.26807	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	629.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	19.9
66.00861	10.7
69.23256	100.0
71.01236	35.0
73.02810	12.1
75.00700	10.8
78.97268	9.1
83.01247	11.8
85.02821	29.0
87.00742	35.5
93.03331	41.4
95.01216	12.3
96.29862	7.7
96.95873	32.0
97.02837	19.6
99.00731	16.5
101.02302	17.7
108.02077	10.9
109.02811	37.8
111.00758	13.9
111.04362	9.2
113.02338	14.3
119.04907	11.8
121.02866	13.0
123.00745	13.4
123.04381	14.1
125.02331	43.2
135.04391	16.1
137.02335	33.3
139.03857	12.6
149.02351	28.0
150.34174	8.8
151.00217	10.2
151.03893	20.1
152.01070	9.3
153.01851	51.3
158.91197	9.4
159.04367	12.1
161.02338	13.6
163.03854	15.7
165.01813	26.8
167.03401	11.3
171.10233	21.5
173.04478	15.2
177.01833	38.0
178.99789	11.8
179.03413	27.0
180.04120	9.8
181.01328	13.1
181.04933	11.1
189.01808	22.7
191.03635	18.7
191.05493	91.5
193.01282	23.9
193.05009	14.0
195.02866	20.4
203.03439	18.2
205.01445	18.3
207.02917	22.9
209.00894	15.9
209.04437	14.9
219.03041	17.7
221.00873	19.6
235.02480	34.9
237.03882	10.8
239.05627	13.2
273.30698	8.9
285.03894	21.2
298.04684	10.1
343.04361	12.7
359.03690	10.9
397.13373	11.2
447.10202	8.7
451.09335	10.5
461.08340	8.9
491.09097	15.9
509.09085	13.0
519.11182	10.0
521.08942	13.5
539.10748	8.7
579.13300	12.1
595.12830	16.0
611.12891	14.0
613.28223	9.9
629.13275	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18713	2.3
59.01245	10.7
64.78111	2.2
68.99426	15.1
69.03332	4.8
69.41239	4.9
69.41649	19.8
71.01255	41.1
72.99181	6.8
74.95251	3.3
83.01245	3.1
87.85884	2.5
87.92399	15.4
90.94736	2.8
97.85762	2.3
99.00770	7.5
102.94749	6.2
103.91912	61.3
104.92683	39.4
106.94254	8.7
111.00737	5.4
112.98445	18.4
113.02313	8.8
114.05507	4.2
114.94765	37.8
123.94529	8.9
128.96324	7.8
130.94293	15.6
132.95842	2.4
140.96359	4.7
142.94283	16.1
144.95847	8.1
146.93761	15.2
156.95856	16.6
158.93745	15.3
170.97374	4.5
171.94597	27.3
172.95369	17.9
184.82501	2.7
184.95374	18.5
196.95380	2.7
198.96848	6.9
200.94800	17.4
203.01231	2.9
204.98004	7.5
211.13324	3.0
214.96466	7.9
216.98050	3.2
232.97498	6.6
256.97604	3.7
258.99075	5.2
270.48898	2.6
275.99475	3.9
277.05527	2.5
277.21710	40.9
278.22177	4.1
289.00046	5.8
290.00793	4.0
307.01202	11.2
308.01556	2.6
314.97867	2.9
320.99228	17.8
338.00745	4.0
339.00159	82.5
340.00464	4.5
344.90347	2.4
344.99197	4.3
347.00729	15.5
349.02277	48.3
350.02716	3.0
365.14172	10.2
391.15848	18.8
394.14539	6.6
395.15173	4.7
423.18686	4.0
555.27301	3.5
565.20825	5.5
567.22668	100.0
568.23047	17.0
599.21667	38.6
600.21997	3.2
627.24811	31.1
628.25165	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	627.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.5
61.98683	0.3
69.30345	3.4
71.01241	0.8
78.95775	5.4
79.95615	2.7
85.02859	0.3
90.96965	0.4
93.03347	0.5
95.04886	0.9
96.95888	100.0
96.96787	7.6
97.02791	0.3
98.02351	0.6
99.00761	0.4
101.02341	0.4
106.83201	0.3
113.02332	0.4
116.98625	0.4
118.96547	0.7
155.42465	0.3
171.10185	0.8
183.13742	0.6
185.11708	0.8
189.00652	0.3
197.11757	3.6
209.11848	0.6
211.13351	2.6
223.13300	0.4
225.11240	0.7
253.09180	1.6
272.72711	0.3
291.03925	2.3
293.21222	3.4
335.02930	0.8
351.06018	3.6
354.10046	1.8
391.18109	0.8
438.00284	0.3
621.61279	0.4
627.36639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25906	1.7
55.59182	1.5
59.01236	8.9
61.98717	2.6
66.91187	1.6
67.56267	2.0
71.01254	4.1
71.58036	2.9
72.99187	1.8
75.93153	1.5
82.95285	10.9
83.02365	4.4
85.02834	3.8
90.63601	1.6
91.34390	1.6
91.66158	1.6
95.68057	1.8
96.95877	7.4
101.02303	2.3
109.02879	2.0
110.06003	5.1
122.05968	2.1
125.02380	2.3
130.08514	2.2
133.77917	1.7
134.06027	6.1
134.55234	1.8
136.05209	2.9
153.01785	3.1
169.12195	2.0
171.10172	5.6
183.13814	2.6
190.13608	1.6
197.11713	10.5
209.11772	4.2
211.13344	9.7
225.11311	2.4
237.14911	4.2
239.11823	2.0
265.09958	2.2
284.03473	1.7
289.09781	3.3
328.10876	1.9
340.10736	3.9
340.14551	4.1
341.11630	1.8
353.11816	5.6
354.12421	4.0
356.13907	11.1
357.14154	2.2
366.12503	7.9
367.13309	2.6
368.14001	14.1
369.14441	3.2
370.15662	6.5
380.10284	19.9
381.10785	9.7
382.11707	3.2
382.15717	18.2
383.12173	3.0
383.16415	3.6
384.17191	6.0
394.11923	5.1
395.12714	5.0
396.13486	100.0
397.13916	12.8
398.15213	2.3
410.15134	21.0
411.15836	53.4
412.16388	14.2
413.13849	3.1
414.14508	8.4
415.15274	3.9
419.39459	1.9
427.11819	2.3
442.17627	9.0
443.14404	16.5
444.15097	2.6
455.14813	26.6
456.15167	4.9
465.35724	5.7
475.17163	3.3
487.17545	2.5
521.21851	4.7
533.21997	17.9
534.22028	2.4
551.22919	72.3
552.23145	9.1
553.24310	7.0
565.24530	14.7
583.16394	2.7
583.25555	46.7
584.25922	6.3
595.21893	44.8
596.22089	9.9
609.32825	1.9
627.24316	41.8
627.34399	2.9
628.25049	7.8
630.65179	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	627.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56784	1.2
57.03324	2.2
57.13499	1.2
59.01249	20.6
61.98698	7.3
62.92855	1.3
62.95998	1.3
69.39486	8.1
69.39899	2.4
71.01247	15.7
72.99170	3.7
73.02809	2.2
73.77451	1.3
75.00751	3.8
78.95779	1.5
78.98489	1.2
79.95598	1.6
80.96391	3.6
81.02000	1.1
83.01232	2.0
83.04893	1.7
85.02823	7.0
87.00751	3.2
89.02322	7.2
92.85493	1.2
93.03322	6.2
95.01260	2.5
96.95889	5.8
97.02802	1.7
99.00749	3.9
101.02337	6.8
107.04873	1.6
108.02074	3.1
109.02815	4.9
111.00751	1.5
111.04439	1.7
113.02326	7.6
115.00288	1.4
117.03319	1.5
119.01260	4.9
119.03426	1.7
119.04883	3.5
121.02845	4.7
123.04458	1.7
124.01571	1.4
125.02320	5.0
131.03352	1.3
132.01968	1.4
133.02873	1.7
134.03612	5.5
135.04405	5.4
137.02321	6.3
147.00763	3.4
147.04434	1.4
149.02345	29.6
149.05959	1.8
150.03053	4.4
151.00273	3.1
151.03905	2.2
152.01009	4.3
153.01878	3.7
156.44032	1.3
160.01599	1.5
161.02361	3.1
161.04465	2.9
162.03117	2.2
163.03925	6.8
164.04697	39.0
164.14731	1.3
165.01810	3.9
165.05423	3.2
167.03352	3.9
168.00534	1.4
173.04463	3.4
175.00272	35.8
175.03806	3.2
176.00681	2.2
177.01714	1.7
177.05516	2.7
179.03435	3.0
179.05635	1.9
179.07036	5.9
181.04843	1.5
190.02641	100.0
191.03188	5.7
191.05498	4.3
193.05069	2.7
205.04994	92.5
206.05530	5.5
217.01434	1.7
221.08138	5.1
223.06070	40.8
224.06471	2.2
232.03691	2.3
237.07674	2.1
247.06090	32.6
262.06873	1.2
265.07129	8.6
267.07169	3.3
271.06186	1.5
284.03256	5.2
285.03940	7.8
289.07007	1.9
299.05548	4.5
300.05856	2.0
367.10257	4.5
385.11386	15.5
386.11282	2.1
591.24463	79.8
592.24792	11.5
627.24658	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	627.2101
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
59.01330	0.3
61.87368	0.4
67.35021	0.3
73.02522	0.7
73.02943	1.2
81.74277	0.3
93.55181	0.3
197.11882	0.6
217.00609	0.3
265.96021	0.4
417.75580	0.4
437.12643	1.3
438.13196	2.1
451.14087	1.9
452.14841	5.1
453.15466	1.4
462.58072	0.3
465.16043	1.0
466.16995	0.9
469.11389	0.6
479.17288	1.4
480.14200	0.7
481.15021	10.3
482.15292	1.7
484.14038	0.6
492.17877	0.6
493.15533	1.4
494.16119	0.9
495.16833	20.3
496.17050	4.4
497.87698	0.4
498.15421	0.5
507.17242	1.4
508.18417	2.0
509.18756	1.8
512.12970	1.5
519.16699	0.4
521.14874	1.0
522.15247	0.8
523.16632	1.2
523.19366	1.3
525.14240	0.4
526.15155	1.0
533.18402	0.9
535.16248	2.6
536.17065	3.2
537.17102	0.7
539.15613	0.9
539.23059	0.7
540.16089	3.4
540.23981	0.7
541.16907	0.9
544.15961	0.8
551.19409	47.0
552.19647	9.0
553.17230	0.9
554.17511	1.4
555.19409	1.9
567.18774	0.5
568.16235	1.5
569.17371	0.4
572.15582	3.5
573.15961	0.6
583.22119	0.5
586.16949	2.4
587.16736	0.6
595.09369	0.7
595.18347	9.7
596.18463	2.5
626.26691	0.6
627.20923	100.0
628.21198	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	627.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	37.3
65.03831	1.6
66.11530	0.7
67.01734	0.7
69.47912	2.7
69.48337	2.8
71.01247	2.0
85.02806	1.1
87.00762	1.9
91.01765	30.2
92.02067	0.8
96.95896	1.0
99.00759	0.8
107.04892	1.3
108.02081	3.8
109.02839	29.7
109.03601	1.5
110.03135	0.9
111.00750	2.6
113.02344	1.0
119.04926	1.0
121.02832	2.0
122.38123	0.7
131.04953	0.8
133.02824	1.7
135.00774	96.3
136.01144	3.1
137.02336	3.7
149.02376	1.8
151.03912	1.6
152.01056	1.9
153.01839	100.0
154.02164	3.5
161.02419	0.9
163.03871	0.9
165.01819	6.8
166.02496	1.0
167.03465	0.8
175.03934	2.6
177.01859	3.3
179.03407	1.6
179.06999	1.3
180.04218	3.6
180.60391	0.7
181.04942	1.2
189.01801	0.8
190.02681	0.8
191.03520	1.3
191.05563	2.9
195.06555	4.2
197.06035	0.9
210.05461	0.8
225.05717	1.0
225.07588	4.0
243.06607	9.6
297.06143	70.7
298.06473	4.4
337.09549	1.0
345.09698	1.0
372.54510	0.8
405.11905	76.4
406.12299	6.7
491.15997	2.4
627.19287	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	627.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	27.5
64.41840	2.7
71.01237	9.0
71.57253	3.3
72.82267	3.0
83.01257	4.7
85.02808	9.7
87.00763	16.8
91.01757	21.7
93.03351	3.4
96.95866	3.7
99.00751	4.3
100.01486	2.8
101.02318	3.7
108.02060	4.0
109.02832	34.0
111.00759	6.6
112.98667	3.9
123.00724	4.0
125.02354	5.3
129.01831	3.2
134.03629	2.8
135.00766	87.0
135.04378	3.0
137.02332	10.0
142.99733	5.0
149.02303	5.6
149.05998	2.5
150.03139	2.5
151.00233	3.3
152.01187	4.2
153.01834	100.0
158.28070	2.8
161.02313	3.2
163.03905	4.7
165.01830	51.3
166.02576	4.9
166.70084	2.9
173.00842	4.5
175.03915	6.2
176.04599	4.2
177.01685	4.9
179.03391	17.4
179.07034	5.7
180.04182	38.4
181.04861	6.0
191.05560	6.6
194.05753	6.4
195.06577	43.5
205.05046	3.6
209.08070	5.9
210.05237	7.9
219.03032	2.7
221.08101	3.5
225.07639	25.3
234.05112	3.8
243.06601	9.0
262.04849	4.8
265.06958	3.3
274.86337	3.1
277.07339	5.4
297.06122	44.2
298.06464	3.7
337.09265	23.4
405.11887	59.6
406.12140	6.6
414.12408	3.0
491.15631	10.8
609.17871	8.6
627.19336	36.7
628.19757	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	627.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89244	1.0
56.70343	1.0
59.01242	10.1
61.98690	2.1
69.10824	1.0
71.01232	5.9
71.58749	1.7
72.99198	1.5
75.00738	4.9
80.96407	2.1
85.02803	5.0
87.00724	2.4
88.96134	1.1
89.02345	1.3
90.40365	1.1
91.01757	14.9
93.03345	2.5
96.04379	1.2
96.95886	7.0
99.00741	1.7
101.02318	1.9
105.84766	1.2
108.02036	15.8
109.02831	14.3
111.00740	1.3
113.02316	2.2
117.03340	1.3
117.08787	0.9
119.04926	3.2
121.02813	2.6
123.00773	5.0
123.04382	1.2
124.01548	1.2
125.02334	2.4
133.02866	1.6
134.03618	13.0
135.00771	22.2
135.04340	2.6
137.02306	8.0
145.02875	1.3
149.02327	4.7
149.05914	1.6
150.03152	6.5
151.00250	2.9
152.01050	18.0
153.01823	24.3
160.01567	2.8
161.02238	1.7
162.05362	1.2
163.00252	1.1
163.03920	2.2
164.04651	2.0
165.05452	4.7
167.03438	1.8
173.04457	1.6
175.03883	4.4
177.01738	1.5
178.99902	1.1
179.03415	1.5
191.05534	2.0
193.04980	18.9
195.06491	4.3
197.05933	1.2
209.08096	1.0
213.05403	1.2
243.06583	100.0
244.06944	6.0
250.75815	1.2
260.09299	1.7
267.26581	1.1
271.02121	1.2
283.42712	1.1
284.03271	4.3
285.04044	12.8
286.04245	1.1
289.90469	1.2
297.06100	2.4
299.05463	1.3
301.03583	2.0
371.14868	1.4
389.13467	1.2
405.11847	55.7
406.12347	6.1
418.97409	1.2
443.11642	2.6
524.99286	1.1
583.14008	2.1
627.13177	2.4
627.26917	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	625.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08935	0.4
55.01751	0.9
57.03324	6.3
58.00449	0.6
59.00946	0.7
59.01247	14.1
61.98689	0.9
67.01778	1.0
68.99698	1.1
69.03326	1.7
69.44916	2.2
69.45325	1.1
71.01250	13.4
71.04901	0.9
72.18594	0.4
72.99179	5.5
73.02811	2.5
75.00745	14.1
81.03336	1.0
83.01260	1.2
83.04907	0.8
85.02819	16.1
85.06458	0.9
87.00750	5.3
88.98682	1.2
89.02312	3.3
93.03356	2.0
95.01254	3.3
96.95882	3.2
97.02796	0.5
97.69169	0.4
99.00748	7.8
101.02330	1.8
103.00241	1.1
108.02059	1.4
109.02856	2.0
111.00750	1.1
111.04429	0.5
113.02328	15.9
115.00270	1.5
117.01823	1.6
117.03338	0.5
119.03404	0.4
119.04922	0.8
121.02842	1.1
123.04423	0.5
125.02332	2.1
125.09605	0.7
127.48392	0.4
129.01837	1.4
131.03450	0.6
133.02882	0.7
134.03632	1.3
135.04387	0.9
137.02277	0.7
139.00256	0.6
140.01031	0.8
143.10612	0.4
145.02875	0.6
147.04413	0.6
149.02338	1.8
149.05981	0.6
150.03163	0.9
151.00273	1.1
151.03844	1.0
152.01082	1.8
153.01831	1.1
155.03374	0.9
157.01324	0.7
160.01526	0.7
161.02399	0.7
161.04492	0.5
163.03918	0.6
164.04723	1.2
165.01842	0.4
165.05513	0.7
167.03340	0.6
171.10133	1.2
173.04532	1.1
175.02383	2.2
175.03943	1.5
179.03352	0.7
181.04996	0.5
182.01915	0.4
183.13814	3.4
190.02631	1.7
191.03499	0.5
191.05487	2.3
193.05011	1.3
195.06602	1.2
201.14926	0.9
205.05009	1.4
206.05472	0.5
223.06046	1.5
227.12930	0.4
231.05000	1.2
243.15973	0.9
249.06110	10.8
250.06467	0.6
267.07211	1.0
269.04544	0.8
273.07739	0.9
284.03241	0.5
285.03970	1.0
286.85236	0.5
287.05524	0.7
301.06918	0.7
311.22180	0.5
329.23242	4.1
331.13388	0.4
343.11716	0.5
357.26443	3.5
359.24057	0.5
373.25754	1.0
375.27484	58.1
376.27820	6.0
521.33337	2.6
522.33575	0.5
539.34204	0.6
595.80145	0.5
607.33160	0.7
625.34381	100.0
626.34680	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	625.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.7
57.03315	3.3
58.00452	0.7
59.01250	14.5
67.01740	0.7
68.99689	1.2
69.03330	1.0
71.01249	14.0
71.26192	0.5
72.99176	4.0
73.02824	2.5
75.00745	12.3
83.01268	1.6
85.02822	13.8
87.00735	3.9
89.02316	5.5
91.31877	0.5
93.03365	0.8
95.01266	4.1
97.02837	0.6
98.19788	1.0
99.00751	7.0
101.02320	2.7
103.00267	1.4
108.02090	0.5
109.02850	1.5
111.08035	0.8
112.76705	0.7
113.02329	13.6
115.00266	1.8
117.01803	2.2
119.03409	0.7
121.02831	1.0
123.08064	0.9
125.02366	1.3
129.01866	0.7
135.04393	1.1
139.11203	1.1
141.12793	0.7
149.02362	1.5
153.01883	0.6
157.12248	1.4
165.12808	1.6
169.12184	0.8
175.02396	1.3
175.03905	0.7
177.01836	0.9
178.02638	0.6
178.99792	1.1
183.13808	14.2
184.14224	0.7
185.11752	2.2
193.05005	1.2
194.02194	0.8
205.05228	0.6
211.06050	2.3
215.13023	0.8
227.12856	2.2
235.86234	0.6
237.03989	2.7
249.06114	8.0
267.07315	0.9
311.05823	0.7
311.22345	0.6
329.23428	2.6
339.25485	0.8
357.26453	3.7
373.26038	2.3
375.27484	54.1
376.27811	4.9
387.20370	1.1
397.13507	1.0
422.62296	0.6
472.11682	0.8
473.12146	1.9
487.26776	0.6
607.34125	1.1
625.27386	7.4
625.34698	100.0
626.27399	1.3
626.35205	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	625.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.3
57.03322	3.8
57.91449	0.2
58.00465	0.4
59.01249	10.1
63.33254	0.3
63.39706	0.2
67.01760	0.6
68.99676	0.6
69.03323	1.0
70.42023	0.8
71.01254	11.0
71.04917	0.5
72.99180	4.1
73.02792	1.3
75.00747	11.5
81.03343	0.5
83.01270	1.0
83.04898	0.3
84.02040	0.3
84.76094	0.3
85.02824	12.7
86.03143	0.2
87.00742	4.1
89.02316	2.7
93.03335	1.0
95.01262	3.1
96.95863	0.6
97.02840	0.3
97.06462	0.4
99.00752	6.7
101.02320	0.9
103.00236	1.3
108.02045	0.3
109.02849	1.0
111.00778	0.7
111.08062	0.7
113.02328	13.9
114.48632	0.2
115.00245	1.4
117.01823	1.9
121.02830	0.4
123.04476	0.4
123.08051	1.4
125.02344	0.5
125.09640	0.9
127.11178	0.3
129.01828	1.2
134.03659	0.4
135.04410	0.4
139.00270	0.5
139.11237	0.5
143.10651	0.3
149.02277	0.3
150.03111	0.5
151.00298	0.3
152.01045	0.3
153.01868	0.4
153.09209	0.3
155.10704	0.8
157.01363	0.7
160.01567	0.4
161.02318	0.4
165.05418	0.4
165.12767	0.3
169.05009	0.3
169.12238	5.6
171.10159	4.6
175.02452	1.3
175.03780	0.3
177.01804	0.4
179.03496	0.3
183.13831	0.7
185.11729	1.3
187.13400	0.3
189.03835	0.3
191.03627	0.2
191.05571	0.7
193.05025	0.5
195.06561	0.4
205.05042	0.5
223.05817	0.3
227.12878	0.3
227.55838	0.2
231.05017	0.8
249.06123	8.6
250.06432	0.4
255.02951	0.9
267.07196	0.6
269.04443	0.3
271.26697	0.2
283.02512	0.4
284.03119	0.3
285.04034	0.4
327.25336	0.4
329.23297	1.5
339.25650	0.5
355.24872	0.8
357.26416	3.1
363.05356	0.3
373.25824	0.3
375.27496	53.3
376.27844	6.3
395.07751	0.9
425.08691	0.4
515.11938	0.7
607.33881	1.2
625.34387	100.0
626.34692	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	625.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.7
58.57877	0.5
59.01247	10.9
61.98694	2.3
65.00193	0.8
65.40579	0.5
68.84319	0.5
69.03329	3.6
69.86868	3.4
71.01247	7.4
72.99185	2.0
73.02829	2.6
73.47778	0.5
75.00752	1.7
80.16164	0.6
80.96368	1.2
81.46412	0.5
83.01260	1.9
83.04892	0.8
85.02818	8.7
87.00743	0.9
89.02328	1.6
93.03336	1.6
95.01270	1.5
95.04882	0.8
96.95869	2.1
97.02831	2.3
97.06475	1.6
99.00765	1.9
101.02302	3.4
106.65097	0.5
107.01268	1.6
107.04894	0.9
108.02046	74.2
109.02852	15.1
109.98685	0.5
110.03194	0.5
111.00747	0.6
113.02308	3.6
116.92715	0.8
119.03382	0.8
119.04916	1.1
120.01153	0.7
121.02843	2.5
122.03590	0.8
122.05978	0.6
123.00747	1.5
123.04457	1.1
125.02332	5.5
132.02011	0.9
133.02797	0.9
134.03654	2.9
135.02953	0.6
135.04407	6.9
137.02373	2.9
137.09575	0.8
139.03973	0.6
141.04036	1.0
145.02951	0.7
149.02332	1.4
149.06044	0.6
151.00275	6.7
151.03929	1.6
152.01053	100.0
152.99367	0.6
153.01852	7.9
160.01576	1.4
161.02420	1.4
161.04472	1.0
163.03941	1.8
163.40448	0.5
164.04608	1.0
165.01868	1.2
165.05449	1.0
165.12784	0.8
166.02629	0.6
169.12376	0.6
171.10219	5.1
173.04390	0.6
175.03928	3.4
177.01877	1.0
179.03459	1.1
183.13811	1.6
190.02637	1.4
193.05011	1.9
195.06622	0.8
197.11775	1.2
205.05022	1.0
209.11771	3.3
211.06076	1.3
211.13341	5.8
217.04778	0.6
221.11774	0.8
227.12923	0.8
229.14412	4.0
237.04037	0.8
239.12743	0.9
283.02484	1.5
285.04095	3.1
287.05548	4.0
291.19852	1.0
297.06104	2.7
311.09332	0.9
315.07306	1.9
327.21738	5.3
397.13330	0.9
483.60672	0.7
503.57635	0.6
625.28577	95.0
626.28931	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	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
57.03311	1.2
58.00458	1.2
58.02839	0.4
59.01250	18.4
65.00183	0.9
69.03341	0.8
71.01251	15.3
72.99161	1.1
73.02814	2.7
75.00736	1.4
80.02547	1.5
81.03336	2.3
83.01257	2.5
83.04889	5.9
84.02026	0.7
85.02831	4.7
87.00730	3.7
89.02316	15.1
93.03333	1.9
95.01255	1.4
95.04895	1.0
96.95890	1.4
97.02824	1.4
99.00736	1.7
101.02318	13.7
101.02991	0.7
107.01256	1.6
108.02026	0.8
109.02831	4.8
111.00773	1.1
113.02324	6.8
119.03387	4.8
119.04859	0.4
121.02845	1.0
123.00743	1.0
123.04410	0.4
124.01509	0.5
125.02325	8.1
125.05973	0.5
129.01778	0.5
131.03360	0.8
133.02876	0.6
133.04929	0.6
134.03586	0.5
135.04382	0.8
135.08029	0.6
137.02348	0.9
139.00272	0.9
139.03896	0.8
141.01826	0.6
143.03416	2.2
147.00754	0.5
148.39601	0.4
149.02321	1.0
149.04427	0.6
150.03128	0.4
151.00267	4.1
152.01030	0.7
153.01834	5.7
161.02338	1.0
161.04449	2.9
163.00322	2.1
163.03896	0.9
163.11214	4.4
164.04625	0.5
164.11491	0.5
165.01842	1.0
165.05432	0.8
165.12776	3.2
167.03365	0.7
173.04434	1.0
173.08051	0.7
175.00327	0.7
175.03975	0.5
177.01826	1.0
178.99791	1.4
179.03348	0.4
179.05579	2.7
181.01331	1.4
181.04921	0.8
181.12289	0.5
185.04434	0.7
187.03899	0.6
190.02655	1.0
191.03606	0.7
191.05511	2.8
191.10678	1.4
192.04138	0.5
193.01300	0.7
193.04968	0.5
195.06694	0.5
199.13261	0.8
203.03441	0.6
205.05066	0.9
206.99232	1.4
209.11760	100.0
210.12129	6.1
221.06575	0.7
223.06183	0.8
225.63647	0.5
227.12833	19.9
228.13161	1.1
229.05138	0.6
231.02983	0.6
235.08157	3.7
243.02972	1.2
245.04442	1.3
253.09309	0.9
255.03014	1.2
263.07745	0.6
271.02536	2.0
273.03986	2.4
284.03262	1.9
285.04016	1.6
286.04388	0.5
287.07831	0.8
297.03964	0.5
299.01962	1.6
299.05365	0.8
300.02600	0.8
301.03375	0.8
305.08664	0.7
316.02182	0.9
317.03073	4.4
318.03198	0.5
323.09744	0.6
397.13477	28.8
398.14001	2.3
415.14542	17.8
415.35361	0.5
416.15097	1.1
433.13049	0.4
459.11362	0.6
507.20328	0.5
521.33539	0.8
565.22607	0.7
607.13116	1.7
607.26611	0.5
625.14099	4.0
625.23047	0.6
626.14465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56870	0.3
57.03323	0.4
59.01247	100.0
59.81441	0.3
60.01574	1.0
61.98703	0.9
69.03344	0.3
69.57426	2.2
71.01245	1.6
72.99167	0.3
73.02853	0.5
73.52017	0.3
78.95770	2.7
79.95605	0.3
83.72758	0.3
84.12414	0.3
85.02830	0.7
87.68640	0.3
89.02325	0.8
93.03374	0.7
96.95910	0.8
96.96828	0.5
97.02859	0.5
99.00761	0.5
101.02332	1.1
108.02055	1.0
109.02877	0.7
113.02327	1.0
116.92751	0.4
121.02807	0.4
125.02331	0.9
134.03603	0.5
135.04431	0.5
137.02365	0.6
149.02350	0.3
152.01059	1.3
152.99480	3.0
153.01736	0.3
160.01627	0.3
161.04474	0.4
163.03909	5.1
165.05579	0.3
175.04005	0.3
178.06259	6.1
179.03392	0.3
179.06651	0.5
193.05022	0.7
193.08627	11.6
194.08949	0.7
197.11745	1.7
201.11264	0.3
209.11810	1.3
211.13403	0.8
227.12975	0.4
241.01144	0.7
267.22205	0.3
285.04095	0.6
309.20599	0.7
336.58896	0.3
403.17630	1.0
625.26721	4.2
625.38214	1.4
626.27875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.7
58.00430	1.1
59.01249	25.9
60.38804	0.6
69.03306	1.4
71.01250	16.7
72.99168	1.4
73.02818	3.1
75.00724	2.1
80.11451	0.6
83.01222	2.3
85.02811	5.7
87.00748	3.8
89.01812	1.0
89.02313	13.8
92.76606	0.7
93.03302	1.2
95.01233	2.0
96.95889	0.6
97.02798	2.3
97.66637	0.7
99.00720	2.6
101.02319	10.6
106.03964	0.9
111.04397	1.1
111.07980	1.7
113.02341	7.7
119.03422	3.4
125.02319	4.1
132.56676	0.7
133.04889	0.9
135.04369	0.8
137.02322	1.0
143.03381	1.2
151.00185	0.8
161.04373	2.5
164.18147	0.7
165.12767	8.9
167.03334	0.9
173.04379	1.1
183.13824	70.2
184.14162	4.2
185.11685	2.4
186.12001	1.1
187.11990	0.8
188.44354	0.8
191.16100	0.8
205.69989	0.7
209.11670	1.0
214.05676	0.7
221.06561	1.1
225.16545	0.7
227.12839	10.9
229.82869	0.8
235.08087	0.8
249.06076	1.6
269.04446	0.9
269.43097	0.7
313.27054	0.7
324.89355	0.9
375.27606	3.6
397.13614	6.4
415.14618	5.4
506.37640	0.7
558.50977	0.8
607.24805	1.1
625.26697	100.0
626.27197	16.2
626.36169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.5
57.03323	13.8
58.00436	0.8
59.01247	58.8
60.99160	0.8
61.98698	13.1
67.01760	1.2
68.99680	1.6
69.03323	2.3
69.31681	7.9
71.01249	36.1
71.04886	0.9
72.99178	6.5
73.02803	4.9
75.00741	15.8
78.95763	1.5
79.95596	2.1
80.96391	7.3
81.03333	1.8
83.01250	3.4
83.04868	1.3
85.02818	33.6
87.00741	11.4
87.04413	0.8
88.98656	2.2
89.02309	12.3
91.03883	0.8
92.98388	0.7
93.03337	5.1
94.97948	2.0
95.01254	6.1
95.04946	0.8
96.95881	2.8
97.02818	3.0
99.00749	10.1
99.04389	12.3
101.02325	9.4
103.00238	4.1
108.02036	2.7
109.02831	3.2
111.00774	4.4
111.04365	1.5
112.01563	0.9
113.02325	44.3
113.83743	0.7
114.02691	1.4
115.00240	1.6
117.01803	1.0
119.03362	1.0
119.04910	2.0
121.02837	5.2
123.00797	0.8
123.04409	2.7
125.02338	9.6
127.03864	1.2
129.01813	2.9
131.03377	2.3
134.03613	3.1
135.04390	2.4
135.08081	0.8
137.02338	7.9
137.09563	1.9
139.00208	1.6
139.03882	0.9
140.01028	2.8
141.04051	1.2
143.03453	0.8
149.02322	2.0
149.04430	0.9
149.06020	1.0
150.03047	1.0
151.00267	2.0
151.03888	2.4
152.01015	3.6
152.98456	0.9
153.01793	2.1
153.05481	1.4
154.05719	1.1
155.03384	4.8
157.01320	0.9
159.03061	0.8
160.01578	2.9
161.02274	2.5
161.04478	2.5
163.03897	1.4
164.04703	1.2
164.98410	1.1
165.05432	1.2
167.03358	0.9
171.10197	0.9
173.04433	3.2
175.00291	1.4
175.02350	2.2
175.03899	3.8
177.01842	1.1
178.02516	0.9
179.03355	1.8
179.05608	0.9
179.07056	1.1
181.08603	3.4
187.07553	1.4
190.02620	2.6
191.03815	0.7
191.05519	4.7
193.03439	4.4
193.05008	4.9
197.04456	4.9
198.04872	3.0
199.09738	1.3
205.05008	2.0
205.07083	3.4
207.04965	0.9
209.11757	2.0
223.06058	1.7
225.00624	2.6
227.12880	1.9
231.10243	1.3
249.06129	11.3
259.06100	3.9
267.07184	100.0
268.07495	4.3
269.04544	2.0
285.04004	2.6
287.05496	1.5
291.07230	11.5
309.08276	1.4
327.05109	1.2
335.06122	20.6
349.09460	1.1
375.27478	5.0
443.15488	1.0
463.23178	1.8
481.24423	2.8
505.33572	1.4
528.02051	1.0
624.33051	1.2
625.24530	18.0
625.34418	16.9
626.25110	3.6
626.34656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10158	0.3
50.39661	0.3
56.42670	0.3
57.03316	0.7
59.01237	1.5
61.98692	1.9
62.09528	0.2
63.02265	1.8
64.32285	0.3
65.00191	14.1
67.36316	0.3
67.98194	0.2
70.15203	1.2
71.01248	0.9
71.03654	0.2
81.03334	0.5
83.01249	6.3
85.02829	0.8
85.82882	0.3
89.02340	0.5
93.03358	0.5
94.24560	0.3
99.00813	0.3
101.02325	0.4
105.47669	0.3
107.01261	22.2
107.04916	0.3
108.02063	1.2
108.99127	0.3
109.02843	2.6
110.00324	0.3
113.02322	0.6
119.04927	0.4
121.02821	0.3
125.02334	5.4
132.02068	0.9
133.02841	0.9
134.03606	2.7
135.04405	62.3
136.01535	0.3
136.04767	1.6
137.02357	0.9
149.02353	0.3
149.05991	0.4
151.00264	100.0
152.00610	3.4
153.01869	0.3
159.20296	0.3
160.01584	2.9
161.02342	3.7
164.01082	0.5
165.01846	1.2
169.01373	2.4
175.00351	0.8
175.03900	3.5
176.04401	0.4
177.01845	1.8
178.91388	0.3
190.02562	0.4
191.05507	0.4
193.01186	0.3
193.04970	1.2
201.05441	0.2
203.03348	0.4
205.04958	0.3
209.11755	1.3
211.13174	0.3
217.01279	0.3
235.02614	0.3
269.04486	0.9
285.04099	0.9
286.04416	0.7
287.05591	66.6
288.05890	4.4
295.04630	0.9
301.07187	8.5
302.07285	0.7
323.07642	0.7
337.09213	4.3
338.09589	0.6
359.27927	1.2
397.13589	0.3
401.10388	0.3
403.28125	0.4
415.14261	0.5
431.04309	0.3
431.09811	1.5
432.62790	0.3
449.10596	1.3
489.10507	2.2
490.10535	0.4
625.15601	18.8
625.27728	2.1
626.16101	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	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63388	0.8
60.16560	0.7
63.94904	0.8
65.00202	1.1
70.86436	2.1
83.54178	0.7
96.95866	1.7
107.01278	1.1
116.15762	0.8
125.02248	1.0
151.00267	9.0
153.01805	0.9
163.03917	1.4
165.01817	0.9
178.99701	1.2
191.05487	0.9
198.03146	0.9
199.03897	2.0
212.44893	0.9
215.03239	1.3
227.03404	2.4
243.02982	4.0
255.02989	2.2
271.02460	43.2
272.02890	2.9
277.31940	0.8
299.01941	100.0
300.02570	17.1
301.03503	43.6
302.03830	3.9
313.03522	1.4
314.89310	0.9
343.04565	1.5
350.24554	0.8
462.07996	23.8
463.08804	38.5
464.09302	3.9
505.09372	1.5
625.14032	61.0
626.14404	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45150	1.6
58.07748	1.5
59.01262	2.2
65.00180	2.7
66.16452	1.6
69.91708	7.6
69.92120	2.8
80.31886	1.5
83.01260	3.1
87.00719	2.3
95.01252	2.7
98.20547	2.0
107.01211	3.1
109.02857	8.0
109.99989	7.5
111.00748	5.7
111.62079	1.4
119.57704	1.7
123.00745	6.2
124.01537	4.3
125.02314	3.2
129.01822	2.0
130.49709	1.4
136.98680	2.8
137.02319	2.8
137.99472	2.9
139.00276	10.5
144.70030	1.4
146.03561	1.8
149.02274	3.5
151.00276	14.1
152.00998	4.0
153.01811	3.4
159.04388	2.3
161.02351	1.9
163.00264	4.7
164.01013	2.3
165.98924	9.9
166.99744	6.9
173.29999	1.6
173.98038	1.9
175.03850	2.1
178.99760	11.8
183.04405	2.0
185.02328	2.0
187.03873	4.4
199.03934	6.3
201.01866	2.8
203.03398	4.7
211.03822	2.0
214.02621	3.5
215.03421	2.1
216.04077	2.2
227.03369	8.0
231.02791	4.5
232.03493	1.7
241.01445	1.9
242.02116	5.2
243.02971	13.2
244.03508	2.7
245.04524	2.4
255.02927	7.2
259.02405	4.5
270.01633	6.1
271.02460	49.9
272.03064	8.6
273.03928	5.9
287.01947	15.7
288.02573	8.0
289.03290	2.7
298.01019	2.9
299.01926	48.0
300.02451	4.6
301.03394	2.0
315.01486	2.1
316.02225	62.7
317.02945	35.4
318.03290	1.9
607.12903	4.1
625.13971	100.0
626.14459	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	625.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71540	0.7
55.64350	0.9
57.03298	1.7
58.00473	1.0
59.01251	21.9
63.02247	1.0
65.00188	5.4
68.99682	1.5
69.03326	2.1
71.00883	1.6
71.01249	18.0
71.58477	1.7
72.99162	2.2
73.02798	2.9
75.00727	1.4
81.03310	3.9
83.01249	5.9
83.04894	4.5
84.02068	1.2
85.02838	5.9
87.00750	4.6
89.02312	15.6
91.01753	0.8
93.03320	4.1
95.01239	3.6
95.04901	1.5
96.95867	1.8
97.02800	2.9
99.00735	2.5
101.02322	15.3
105.03254	1.1
106.09937	0.9
107.00752	0.8
107.01281	8.9
108.02092	1.8
109.02142	1.5
109.02833	26.0
110.03172	1.0
111.00771	5.2
111.04355	1.3
113.02323	8.1
119.03373	4.0
119.04893	0.8
121.02815	2.6
123.00739	2.6
123.04398	2.2
124.01543	2.2
125.02332	14.0
127.03844	1.1
130.47148	0.9
131.01265	1.2
131.03413	1.8
133.02881	5.1
133.05022	1.0
135.00768	2.8
135.04396	2.9
135.08084	1.0
137.02332	6.4
139.00287	7.7
141.01860	2.2
143.03340	3.5
148.01576	1.0
149.02299	4.1
149.05865	0.9
150.03082	1.8
151.00272	34.5
151.03902	2.0
152.00925	3.5
153.01834	45.3
154.02191	2.2
159.04343	1.1
161.02299	1.9
161.04413	2.7
161.05727	1.1
163.00275	23.5
163.03899	1.3
163.11147	2.8
164.00919	2.5
165.01865	4.3
165.05455	2.0
165.12714	3.0
165.98999	0.9
166.99713	1.1
167.03377	2.7
169.01318	3.8
173.04391	2.4
173.05869	0.9
175.00259	4.6
175.03896	3.2
177.01872	5.3
178.99773	9.9
179.03320	2.2
179.05466	3.2
179.06877	1.1
181.01344	9.0
181.04990	2.0
181.12233	1.3
190.02519	1.1
190.99886	4.4
191.03520	1.5
191.05463	3.9
191.10594	1.8
192.00436	1.4
193.01321	4.6
195.02885	2.0
195.06697	1.1
199.03819	2.3
201.01848	1.9
203.03415	2.4
205.01331	1.7
205.04987	2.6
206.99280	12.1
207.02893	0.9
207.99922	2.8
209.11758	100.0
210.12018	3.3
214.02763	1.2
215.03423	1.1
217.04999	2.0
219.02902	1.7
227.03384	3.3
227.12849	18.4
229.04987	2.7
231.02913	3.6
235.08124	3.4
242.02206	1.3
243.02960	6.0
245.04471	7.0
247.85750	1.0
253.09096	1.1
255.02910	6.2
256.03568	1.2
257.04391	1.2
270.01569	1.3
271.02487	16.2
272.02960	1.6
273.04053	13.9
281.00845	1.0
283.02621	1.1
284.03238	10.8
285.01373	1.1
285.04056	12.6
286.04486	1.2
288.02377	1.2
289.03442	1.8
297.03857	1.7
299.01965	15.7
299.05313	1.6
300.02582	3.7
301.03433	4.1
316.02243	5.9
317.02975	38.1
318.03241	3.3
359.03885	1.2
359.77740	1.1
397.13483	32.5
397.78839	1.1
415.14536	16.0
444.06909	1.4
447.09454	2.6
452.09979	1.2
459.11066	2.5
460.11331	1.5
461.07001	1.2
487.11087	4.4
489.12402	1.9
501.12424	1.6
515.10352	6.7
516.10999	3.9
521.32574	1.0
529.95605	0.9
553.15601	1.1
581.15106	2.0
597.14868	1.3
607.13062	8.4
608.13501	2.2
625.13837	30.2
625.23389	2.1
626.14252	4.0
634.63123	1.1
641.31732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49033	2.6
57.30571	2.9
59.00993	2.6
59.01246	17.6
63.02249	5.5
63.21984	2.4
65.00193	16.7
69.02775	2.4
70.35851	9.6
70.46617	2.7
71.01241	13.0
81.03313	4.7
83.01254	12.7
83.04875	3.0
85.02817	4.8
86.04173	2.8
87.00777	3.6
89.02310	9.9
90.52715	2.5
92.87283	2.4
93.03341	3.4
95.01277	5.6
97.02823	3.1
99.05479	2.6
101.02333	10.2
107.01252	31.0
108.02060	2.9
109.02833	78.6
111.00793	6.9
121.02790	3.0
123.00780	2.6
125.02356	16.5
125.32867	2.6
131.01331	3.8
133.02840	9.0
135.00800	9.3
137.02338	13.2
139.00284	11.9
149.02341	4.8
151.00264	78.7
152.00865	4.9
153.01831	100.0
154.02145	3.7
159.04404	3.0
161.04471	3.3
163.00270	61.0
163.03917	4.1
163.11172	2.8
164.00880	4.9
165.01868	5.0
167.03433	5.4
169.01360	6.6
175.00278	10.7
177.01881	8.4
178.99782	28.6
179.05486	3.7
181.01329	21.3
187.03830	3.4
190.99821	12.1
191.03427	2.9
191.05376	3.0
193.01265	6.6
195.06551	3.0
199.03824	5.0
201.01787	4.7
203.03496	5.0
205.04900	2.8
206.99295	31.7
208.00200	4.2
209.11760	51.5
211.03810	3.6
217.04935	8.2
219.02898	4.6
227.03380	6.9
227.12787	9.6
229.05084	6.0
231.02898	7.3
242.02127	4.8
243.02957	9.5
245.04507	19.1
255.02985	10.2
271.02432	26.1
272.33359	3.2
273.03989	22.9
284.03275	14.3
285.03915	21.1
289.03442	4.0
299.01978	22.3
300.02682	4.9
301.03366	6.2
315.01483	4.2
316.02118	9.1
317.02985	72.8
318.03482	5.0
360.63058	3.2
397.13376	13.8
415.14484	8.2
459.11349	10.5
461.12457	3.3
487.10721	6.7
489.12320	3.3
515.10406	11.8
516.11261	6.2
553.15753	4.1
581.15393	3.4
607.12732	14.8
608.12988	4.0
625.13965	41.5
626.14148	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	623.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	0.7
57.03321	3.6
59.01243	10.1
61.98668	2.1
63.01888	0.5
67.01740	1.8
68.99663	1.7
69.03313	1.6
71.00906	0.6
71.01250	9.2
71.58268	0.9
72.99155	1.1
73.02782	1.6
73.40091	0.5
75.00733	1.0
78.95741	2.3
79.95580	1.1
80.96375	1.3
83.01237	1.3
83.04895	0.8
85.02814	10.9
87.00731	2.6
89.02312	4.2
93.03294	1.6
95.01260	3.3
96.95836	1.0
97.02799	1.5
99.00725	1.7
99.04404	0.9
99.18646	0.5
101.02325	3.0
101.25100	0.5
108.02036	0.7
109.02824	0.8
109.06422	2.2
111.00728	2.4
113.02332	7.9
115.03874	0.6
119.03336	1.0
123.04418	0.6
124.01505	2.0
125.02287	1.7
129.01782	1.0
133.02771	0.7
134.03670	0.6
137.02289	2.4
139.00221	1.2
139.03848	1.9
141.04012	0.7
141.12738	0.7
149.02370	1.3
151.03821	0.6
152.01036	1.2
152.99464	1.3
153.01817	0.8
160.01489	0.8
161.09552	0.5
163.11061	1.5
164.04639	1.7
167.03268	0.6
175.00166	0.9
175.03850	1.2
177.01813	2.2
181.12286	0.6
189.03899	1.0
190.02617	2.5
193.04970	1.3
205.04974	2.7
205.06981	1.1
207.10207	6.5
209.11749	1.7
223.05977	1.8
225.00565	0.7
225.11275	5.6
231.04890	0.6
253.09122	0.7
263.07693	5.6
267.06882	0.6
267.23380	0.6
269.04507	0.8
285.03989	3.5
291.74518	0.7
295.22556	0.8
311.22501	0.7
311.25812	1.5
313.23834	9.3
314.24359	0.8
341.23279	0.8
341.26889	2.3
357.26282	1.1
359.27994	100.0
360.28345	7.4
397.13440	1.8
415.14548	2.0
591.33868	0.8
623.26172	5.0
623.36511	88.1
624.26569	2.4
624.36755	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	623.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.5
55.60408	0.6
57.03328	4.0
58.00481	2.0
59.01253	25.8
61.98703	0.9
69.03341	2.0
70.44415	0.5
71.01256	29.0
71.04887	1.1
72.01589	0.9
72.99189	2.9
73.02823	6.3
75.00759	0.6
81.03368	1.7
83.01265	4.8
83.04894	3.6
85.02825	8.9
85.06559	0.5
85.99983	1.3
86.82294	0.5
87.00754	11.5
89.02317	14.7
91.03911	0.7
93.03350	0.6
93.06964	0.7
95.01254	3.2
95.04920	2.0
97.02832	2.7
97.06510	1.4
99.00772	1.9
101.02332	19.5
102.02679	0.7
103.03938	0.6
106.23425	0.6
107.04965	0.9
108.47123	0.6
109.06461	3.7
111.00787	1.4
111.04402	0.7
111.08052	3.8
113.02333	12.4
115.03925	1.1
115.99167	0.5
117.07005	0.6
119.03406	3.1
123.08088	1.1
125.02337	3.0
125.09684	0.7
129.01846	0.8
133.04973	1.2
133.06502	1.1
135.08023	3.3
137.09642	4.4
139.11179	1.0
143.03467	1.5
145.04973	6.4
147.97842	0.6
161.04494	5.6
161.09656	0.8
163.11201	0.9
167.14420	0.7
175.11278	0.7
177.12741	0.8
177.46780	0.6
179.05528	2.9
179.14330	1.0
181.12273	1.1
187.06120	0.6
203.14421	2.3
203.23436	0.6
207.10272	2.2
207.17555	0.8
209.15393	0.8
211.13399	2.0
213.14899	2.4
221.15540	1.0
225.11317	1.1
229.15826	0.6
231.17470	2.3
234.19624	0.6
235.08191	16.8
236.08475	1.1
237.14983	2.3
237.18823	0.6
239.16507	3.6
241.18105	1.9
247.13353	1.1
247.16988	0.6
249.14871	1.0
249.67332	0.7
251.16516	1.6
253.09212	1.0
263.16422	0.7
265.18076	2.2
273.18512	0.6
275.16449	3.5
277.18088	1.5
289.18045	0.8
305.21527	0.6
313.25360	1.1
315.26968	4.2
317.28397	1.3
325.25357	8.9
326.25885	1.3
333.27997	1.4
341.24799	5.7
343.22778	0.9
343.26450	8.5
344.26926	1.3
351.23309	3.3
359.25912	12.7
360.26288	1.4
361.27390	2.9
369.24319	18.5
370.24844	1.9
377.26978	2.4
387.25421	76.2
388.25714	8.7
405.26440	54.3
406.26791	6.7
479.29895	3.4
490.46997	0.7
547.23639	0.8
595.34991	2.0
605.33258	1.5
623.34357	100.0
624.34680	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	623.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00313	0.5
55.01750	1.0
57.03326	4.1
58.00465	0.9
59.01250	12.9
62.69256	0.4
65.04089	0.5
67.01757	0.8
68.99671	1.7
69.03311	1.6
71.01249	14.5
72.99185	4.7
73.02821	2.7
75.00745	14.9
81.03309	0.7
83.01262	0.7
85.02821	16.7
87.00751	6.0
89.02319	2.7
93.03309	0.9
95.01244	4.1
97.06434	0.6
98.19812	1.1
99.00755	8.9
100.04806	0.5
101.02322	1.0
103.00252	1.4
109.02855	0.7
111.00787	0.7
111.08025	0.6
113.02327	13.7
114.02631	0.6
115.00252	2.4
117.01835	1.8
122.39072	0.5
123.08040	1.0
125.09592	2.3
127.11173	2.1
129.01828	1.5
137.02403	0.6
137.09587	1.0
153.01826	0.6
153.09203	0.5
155.10672	2.1
157.01334	0.5
162.15479	0.5
171.10197	8.4
172.10594	0.7
173.04536	0.7
175.00311	0.5
175.02429	1.1
185.11688	2.4
190.02594	0.7
199.13254	0.6
205.05107	0.7
229.14587	0.5
229.80614	0.6
231.04997	1.0
249.06142	10.7
250.06540	1.0
285.20667	1.1
325.23764	1.2
327.05151	0.5
327.21829	0.6
343.24969	0.5
355.24899	2.4
371.24289	1.0
373.25922	49.3
374.26276	6.2
375.27515	1.2
525.71466	0.5
605.31952	1.5
623.32770	100.0
624.33075	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	623.343
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01754	1.7
57.03317	3.2
58.00464	1.5
59.01247	23.7
69.03322	2.5
70.03798	1.6
71.01247	27.2
71.04885	0.8
72.01593	0.4
72.99183	2.6
73.02812	7.2
81.03313	1.8
83.01253	3.7
83.04900	3.0
85.02815	8.0
85.99952	1.9
87.00741	10.0
87.04375	0.8
89.02311	11.4
91.03898	0.9
93.03352	0.6
95.01261	2.6
95.04884	1.8
97.02817	2.4
97.06475	1.3
98.00105	0.3
99.00777	1.8
99.04373	0.7
101.02317	16.9
102.02654	0.4
103.03884	0.6
106.04116	0.6
107.04913	0.9
107.56762	0.4
109.02830	0.6
109.06464	4.2
111.00758	0.8
111.04406	0.9
111.08039	2.6
112.01543	0.4
113.02325	11.9
115.03951	0.4
119.03382	3.0
119.04822	0.5
121.02829	0.5
123.08014	1.0
124.01598	0.4
125.02298	2.3
131.03362	0.5
132.45988	0.4
133.04964	1.4
133.06479	1.0
133.10129	0.4
135.08038	3.0
137.09627	2.6
139.11237	0.7
141.01807	0.5
141.09167	0.3
143.03391	1.4
145.04948	5.8
149.04498	0.4
157.12292	0.6
161.04451	5.9
161.09605	0.9
163.11180	0.9
167.14368	0.5
177.12749	0.7
179.05504	2.4
179.10815	0.4
179.14415	0.5
181.12282	0.6
187.06107	0.4
187.14746	0.5
195.13829	1.1
203.14349	2.3
204.14658	0.4
205.15959	1.2
207.10178	1.1
207.17514	0.7
211.13396	2.0
211.16901	0.4
213.14880	3.1
217.15773	0.4
219.14012	0.7
221.15532	0.8
223.16916	0.7
225.11330	0.9
225.14822	0.6
227.66867	0.4
231.17511	2.2
233.15463	0.3
233.18983	0.4
235.08179	17.1
235.17113	0.7
236.08479	0.8
237.14955	2.3
237.18500	1.0
239.16489	3.9
241.18114	2.0
245.15242	0.4
245.19096	0.6
247.13351	1.1
247.17033	1.0
249.14851	0.8
249.18622	0.5
251.16447	0.8
253.09167	0.7
253.18077	0.5
253.37585	0.4
261.18518	0.8
263.20230	0.6
265.18036	2.9
267.19589	1.3
271.20743	0.7
275.16562	3.7
277.17990	2.0
289.18054	0.7
293.21130	0.9
299.23685	0.4
313.25351	1.1
315.26883	4.7
317.28461	0.8
323.23773	0.5
325.25293	7.8
326.25543	0.7
333.28043	1.2
341.24774	5.7
342.25238	0.5
343.22348	0.6
343.26367	10.5
344.26691	1.2
351.23254	5.0
352.23633	0.7
359.25854	14.3
360.26266	1.7
361.27411	2.5
362.27783	0.5
369.24286	19.1
370.24527	2.3
377.26846	1.9
387.25363	66.4
388.25714	8.2
405.26410	54.8
406.26758	5.7
429.26407	0.6
461.29031	0.8
479.29959	3.1
480.30298	0.5
595.34869	3.1
605.32928	1.4
623.34290	100.0
624.34631	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	623.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
57.03321	4.4
58.00457	1.2
59.01250	27.9
61.98678	1.0
63.38840	0.5
67.01743	0.9
68.99702	0.9
69.03325	1.9
69.35954	1.4
69.36361	4.4
71.01247	21.1
71.04877	2.8
71.43382	0.6
72.99183	6.2
73.02818	7.4
75.00743	16.8
79.22710	0.6
81.03310	0.7
83.01242	2.8
83.04899	0.8
83.16666	0.6
85.02820	17.4
87.00737	5.9
87.04402	0.7
88.98686	0.8
89.02305	8.1
90.44276	0.6
93.03342	4.2
95.01273	5.1
95.04884	0.7
96.31743	0.5
96.95885	1.4
97.02839	0.9
97.06444	0.8
99.00761	8.8
101.02310	9.0
103.00242	1.9
103.03911	1.8
108.02047	1.7
109.02833	1.7
111.00744	1.0
111.08018	1.3
113.02325	19.3
114.02608	0.7
115.00228	1.8
117.01821	2.2
119.03403	1.4
123.07996	0.7
125.02314	2.2
125.09606	1.8
129.01791	0.9
131.03403	1.1
134.03609	0.9
135.04399	1.6
137.02345	5.9
137.09644	1.0
141.04059	0.7
143.03401	1.2
149.02362	1.6
150.03120	0.6
151.03857	0.6
151.11226	0.7
152.01010	1.2
155.10661	3.6
159.29364	0.6
160.01617	1.1
161.02364	0.7
161.04501	1.4
163.06036	3.5
164.04706	1.7
165.05518	0.8
167.03433	1.1
169.12282	1.3
171.10178	22.9
172.10490	0.8
173.04375	0.7
175.00287	2.0
175.02382	2.6
175.03790	1.2
178.02742	0.6
179.03415	0.7
183.13809	0.8
185.11729	0.7
190.02644	6.0
191.05486	0.8
193.05019	1.6
194.05704	0.7
197.11848	0.9
205.03310	0.6
205.04994	6.5
205.07068	1.4
206.05362	0.8
207.10175	1.4
209.08160	6.8
223.06120	1.6
225.11465	0.6
231.05138	1.3
249.06133	12.9
285.03894	0.9
307.10492	0.7
343.24780	3.8
355.24844	21.1
356.25168	2.3
371.23865	0.6
373.25928	21.5
374.26321	2.3
375.26971	0.8
417.24881	4.0
421.17139	4.8
485.13168	0.7
563.30664	11.2
564.30725	1.8
572.00995	0.6
605.31781	17.7
606.32050	2.3
623.32800	100.0
624.23407	1.0
624.33093	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	623.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
57.03318	4.1
59.01247	20.9
59.61981	0.6
65.03867	0.6
67.01765	1.1
68.99703	1.0
69.03329	1.7
71.01248	17.4
71.04900	1.4
72.99182	5.0
73.02813	3.6
75.00747	13.9
83.01247	1.4
83.02363	1.4
83.04925	1.0
84.01926	0.8
84.94988	2.8
85.00307	1.3
85.02821	17.0
87.00743	5.4
89.02320	5.8
91.01768	1.0
93.03345	2.4
93.06988	1.0
95.01251	4.2
95.04913	0.6
96.95878	1.7
97.02833	0.7
97.06495	1.3
99.00761	7.4
101.02300	3.7
103.00237	1.0
108.02036	1.9
109.02840	6.3
111.00748	1.2
111.04368	0.8
113.02320	16.1
115.00236	2.3
117.01801	2.1
119.04930	1.1
121.02816	1.3
123.00749	1.4
123.75497	0.6
125.02309	2.2
125.09606	1.2
127.33026	0.7
129.01825	1.2
130.26680	0.6
131.03391	1.1
132.02034	0.7
133.02809	1.0
133.04956	1.7
134.03625	5.4
135.00771	1.2
135.04448	3.0
136.01564	1.2
137.02309	2.2
139.00229	1.0
145.02856	0.8
149.02379	3.4
149.04413	0.8
149.06004	1.2
150.03125	0.9
151.00296	1.5
151.03903	1.9
152.01056	2.6
153.01855	4.3
157.01343	1.0
157.08514	0.9
160.01605	4.0
161.02316	1.2
161.04459	1.4
163.03932	1.6
164.04672	2.8
165.05394	1.6
166.02631	1.6
167.03415	0.8
171.10229	1.1
173.04497	1.0
175.00299	2.0
175.02365	2.2
175.03914	5.1
177.01909	0.9
178.02567	1.2
179.03363	2.0
181.04984	1.7
185.11778	2.0
189.03949	0.9
190.02679	4.5
191.05519	2.3
193.04984	6.9
205.05002	3.4
223.06038	4.3
225.15030	0.8
243.15984	6.4
249.06114	9.4
267.07056	0.9
283.09836	0.7
285.04028	2.5
286.04294	0.7
311.09216	2.4
315.05051	0.9
325.23886	0.9
326.11697	1.0
327.21747	0.9
341.10217	1.5
341.13907	1.8
343.24789	5.7
355.24844	2.3
373.25919	41.1
374.26257	4.8
375.27509	1.0
387.14432	1.4
413.14517	2.7
419.16516	0.8
427.16144	0.9
447.11328	1.0
471.11252	1.1
519.31659	4.1
537.32611	1.5
566.74121	0.7
579.34039	1.0
605.31561	1.5
623.16058	3.3
623.32794	100.0
624.33130	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	623.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84818	0.7
55.01748	0.9
57.03318	2.0
58.00478	1.7
59.01250	32.4
61.98711	4.0
69.03326	2.6
71.01252	21.0
71.04893	0.8
71.58996	0.9
72.99178	1.8
73.02824	3.5
78.95783	2.3
80.02544	1.3
81.03338	3.5
83.01263	2.1
83.04900	3.4
85.02825	7.0
87.00744	5.1
89.02317	19.0
93.03316	1.0
95.01280	2.3
95.04927	0.9
96.95877	1.1
97.02827	12.8
97.06436	1.0
99.00765	3.1
101.02320	14.5
102.02641	0.9
106.04128	0.8
107.04844	1.0
109.02834	1.1
109.06474	35.4
110.03596	1.9
111.04395	1.0
113.02338	8.3
119.03374	6.3
121.06478	3.3
123.04386	1.0
125.02337	6.3
125.09613	2.4
135.08086	4.7
136.05215	1.6
137.02446	0.9
141.01820	0.9
142.02625	3.3
143.03415	2.5
149.02409	0.8
152.99513	1.2
161.04456	4.1
161.09605	2.2
163.11198	21.4
164.11552	1.0
165.09109	0.8
165.11569	0.9
179.05530	4.2
181.12303	7.0
187.09677	1.1
189.09184	1.1
190.02634	1.6
191.05573	2.2
205.05020	1.6
207.10201	100.0
208.10535	5.7
209.11676	2.2
215.14235	1.2
216.14677	1.0
221.06619	1.4
225.11272	76.6
226.11578	4.9
233.15379	3.8
234.15768	2.7
235.08281	4.0
235.15985	1.3
243.12505	2.4
244.12508	0.9
253.09340	1.7
270.18311	0.9
299.15030	1.5
301.86575	0.9
305.08698	1.3
386.24258	1.3
387.24927	2.7
397.13513	26.4
398.13803	1.9
401.51382	0.8
404.25519	0.7
405.25839	1.1
415.14584	23.2
416.15051	1.9
443.18884	1.6
605.24860	1.7
622.33350	3.2
623.25488	67.9
623.33820	13.7
624.25787	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	623.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70779	1.1
57.03323	2.7
59.01252	23.3
61.98715	11.1
65.53516	1.3
66.87090	1.1
71.01253	12.4
71.59746	1.3
72.92385	1.1
72.99183	2.2
73.02816	2.6
74.78481	1.1
75.00750	9.0
76.41508	1.2
78.95775	8.3
80.96412	1.3
81.03296	1.3
82.28961	1.0
83.01248	2.7
85.02822	4.9
87.00771	2.6
89.02299	5.9
91.01681	1.1
93.03340	4.3
95.01256	2.3
96.95913	2.2
96.96799	1.4
97.02824	2.9
99.00761	2.6
99.04430	2.3
101.02332	9.0
108.02041	2.3
109.02841	5.5
109.06498	7.6
113.02361	6.0
116.92773	1.7
119.03353	2.2
119.04877	1.2
121.02844	3.3
121.06459	1.2
123.00777	1.8
123.04395	1.8
124.01558	1.5
125.02332	3.9
125.52709	1.1
132.02069	12.1
133.02878	8.3
134.03659	15.7
135.00731	1.3
135.04340	1.4
136.01535	3.6
137.02347	12.1
139.03876	1.3
143.03343	2.2
149.02338	1.9
149.05977	4.7
151.11101	1.4
152.01036	3.6
152.99483	5.1
153.01883	1.6
160.01576	55.3
161.02357	8.2
163.11183	2.2
171.10164	4.1
172.10481	1.5
175.03929	68.9
176.04253	3.4
177.01859	2.1
181.12268	1.7
187.83931	1.1
188.85934	1.2
190.02608	2.3
191.10838	1.6
193.04976	25.1
202.02696	1.8
207.10245	18.0
209.11777	2.7
211.13283	2.2
217.04897	1.9
225.11255	17.6
226.06288	3.0
227.03378	2.3
241.01164	2.6
241.05049	3.3
242.05803	1.6
253.05130	1.3
255.02945	8.1
269.04507	5.0
270.05344	100.0
271.03128	1.4
271.05685	7.3
284.03406	1.2
285.04199	4.0
285.07681	74.2
286.08047	5.7
315.07285	2.8
317.21216	8.6
322.06921	3.2
323.07556	5.8
337.09311	64.7
338.09610	3.3
397.13596	4.4
415.14670	4.0
429.11813	3.1
440.34274	1.5
461.32996	2.3
478.14340	1.2
484.05905	1.2
623.17133	8.6
623.25922	14.0
623.34027	3.5
624.17432	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	623.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.2
59.01250	54.2
61.98710	13.7
69.03329	15.5
69.68719	18.1
71.01257	30.5
72.99170	5.1
73.02814	10.6
75.00739	8.5
78.95774	5.7
80.96392	3.0
81.03339	2.6
83.01254	7.3
83.04902	5.1
85.02830	23.2
87.00725	5.7
88.98682	9.8
89.02319	14.5
89.02822	3.4
93.03338	5.6
95.01261	8.1
96.95897	8.3
97.02842	11.8
98.39222	3.1
99.00761	13.6
101.02318	15.8
107.01279	6.7
108.02054	36.7
108.02721	4.3
109.02832	11.1
109.06480	3.6
113.02343	24.9
119.03403	3.9
119.04920	3.1
121.02797	4.6
123.00805	2.6
123.04372	3.9
125.02341	28.7
129.01859	4.3
132.02071	5.1
133.02826	8.5
134.03636	6.6
135.00780	26.2
135.04353	6.6
137.02347	10.3
141.04057	2.6
149.02333	10.4
149.06049	3.2
151.00264	7.9
151.03867	3.2
151.99925	3.8
152.01060	68.7
152.99431	4.8
153.01796	10.0
160.01567	17.1
161.02361	6.6
161.04425	6.1
163.03900	6.6
163.11197	3.1
164.04620	4.3
165.05438	3.2
175.00247	4.5
175.03893	16.4
177.01801	3.8
178.02489	2.6
179.03413	4.1
190.02643	8.3
191.05493	3.6
193.05016	9.7
195.06499	3.4
205.04991	10.0
207.10187	5.4
209.11845	4.0
223.06114	7.7
225.11298	3.1
242.05765	5.4
243.06592	28.8
249.06125	3.7
284.03384	13.4
285.04041	100.0
286.04376	8.2
299.05573	12.7
300.02789	3.0
355.24786	6.8
357.08582	2.7
359.28043	12.4
373.25861	7.6
429.09982	7.4
429.15851	2.9
447.13550	4.7
471.11411	37.6
516.03149	2.9
537.16180	8.9
579.17035	7.2
623.14740	22.5
623.24072	5.1
623.35388	26.8
624.14343	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	623.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	3.8
63.02253	1.0
68.20253	1.0
71.01252	2.4
85.16521	1.0
89.02316	3.7
95.01256	1.8
96.95927	1.4
98.19798	1.8
107.01244	2.1
109.02818	1.6
113.02312	1.1
123.00742	5.2
124.01507	5.0
125.02341	10.5
133.04944	3.6
134.03603	1.7
135.04356	1.8
137.02275	1.8
142.04669	1.0
148.01579	1.6
149.99483	5.1
151.00241	6.2
152.01096	1.6
160.01556	1.3
167.03328	1.3
168.00551	11.2
169.01277	1.4
175.03931	2.3
199.03932	2.8
215.03400	1.5
227.03395	3.7
243.02966	8.4
244.03407	1.1
254.02327	1.1
255.02950	16.0
257.04416	1.3
271.02466	64.7
272.02902	5.0
284.03192	3.7
285.03931	11.2
286.04187	7.8
287.04547	4.1
299.01935	45.6
300.02707	100.0
301.03183	7.9
313.05679	2.3
314.04178	5.5
315.05078	98.4
316.05450	7.3
429.10062	1.6
447.11383	20.2
448.11652	1.9
526.85492	1.0
623.15863	69.4
624.16028	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	623.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	27.3
65.00170	1.3
65.03828	3.8
67.01756	2.3
69.03305	1.1
69.30446	9.0
71.01256	7.2
72.99172	1.9
73.02822	5.2
75.00745	2.1
80.25972	0.9
83.01250	2.1
85.02840	4.5
87.00760	3.3
89.02309	3.0
91.01766	15.9
92.02106	1.2
93.03329	3.1
95.01254	1.4
96.95887	0.8
97.02843	1.0
98.20547	2.2
99.00763	3.3
101.02327	5.0
106.04164	0.9
108.02087	4.2
109.02837	62.1
110.03146	1.9
111.04475	0.8
113.02327	9.4
119.03394	1.0
119.04916	1.9
121.02836	3.3
122.03601	1.0
123.04377	2.9
125.02339	3.9
133.02792	2.1
134.03650	2.8
135.00774	30.2
135.04396	4.1
137.02344	8.4
139.03899	0.8
145.02876	1.2
147.04424	2.9
148.01588	2.3
149.02330	4.5
149.05965	2.1
150.03117	1.8
151.03886	2.9
152.01077	2.1
153.01846	23.5
159.04404	1.1
160.01506	1.0
161.02438	1.4
161.05948	1.3
163.03914	3.8
163.30997	1.0
164.04674	1.7
165.01781	1.2
165.05444	2.1
175.03917	3.4
177.01878	2.4
177.05470	1.8
179.03430	2.6
187.03888	1.1
190.02614	3.1
191.03386	1.4
191.05516	1.1
193.05006	2.2
194.05742	2.7
199.07584	2.0
205.05011	6.9
209.08156	7.3
217.05006	2.8
223.06029	4.5
285.03906	1.4
285.42459	0.9
287.09293	4.3
339.07166	1.5
343.24597	1.1
357.08594	1.0
373.25916	3.7
385.11481	1.2
471.11420	100.0
472.11737	11.0
519.31744	2.6
563.30157	1.0
622.31537	1.5
623.19946	1.5
623.22675	1.5
623.33020	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	623.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92947	0.8
57.03317	1.4
59.01245	24.7
61.05075	0.7
61.98697	4.4
65.00194	1.0
67.01763	0.8
69.03327	2.0
71.01250	16.6
71.58026	0.8
72.99183	2.1
73.02819	3.2
75.00736	2.5
78.95770	6.0
79.95606	1.5
80.96394	1.7
81.03328	1.2
83.01260	1.1
83.04900	1.3
83.25972	0.9
85.02805	4.0
85.07809	0.8
87.00746	2.8
89.02309	12.3
91.01767	14.3
93.03320	8.6
95.01241	3.3
96.95860	1.8
97.02840	1.9
99.00761	3.5
99.04353	0.8
101.02319	5.2
103.03848	1.2
108.02042	18.9
109.02829	7.8
109.06459	2.9
113.02301	4.6
119.03368	1.7
119.04903	1.4
121.02850	2.3
123.00763	6.8
124.01506	1.9
125.02296	4.1
127.03864	0.8
133.02853	1.3
134.03613	3.3
135.00769	19.0
135.04387	1.7
137.02328	15.9
141.04051	1.7
146.03473	0.9
149.02330	2.7
149.04361	1.1
151.00264	2.5
152.01051	20.9
152.99452	2.1
153.01830	1.7
153.09081	2.0
160.01559	3.0
161.02312	1.7
161.04454	1.1
163.03886	1.7
163.11194	1.8
175.00259	1.7
175.03908	4.2
175.88710	1.0
177.01796	2.3
190.02661	2.8
191.03181	0.8
191.05475	1.0
193.05019	3.0
197.06023	1.6
205.04984	2.6
207.10182	7.9
209.11705	4.4
213.05531	1.3
223.06073	1.6
225.11247	5.8
227.12721	1.2
240.04211	1.8
241.05074	0.9
242.05876	2.2
243.06577	100.0
244.06937	6.0
267.06891	1.1
270.05368	2.7
285.04004	8.7
285.07596	3.0
337.09470	1.2
359.27908	2.2
363.12634	0.9
372.24744	1.1
373.21420	0.9
387.10818	1.7
397.13525	2.4
402.04355	0.9
415.14349	2.0
447.13065	11.4
448.13187	1.7
471.11191	1.8
537.16272	3.3
542.72650	0.9
579.17114	64.9
580.17188	6.6
591.25073	2.1
622.31757	1.6
623.25806	5.0
623.34747	4.0
624.25909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93868	1.0
57.03326	1.6
58.00451	1.2
58.68536	0.9
59.01248	25.9
61.98695	3.7
69.03316	2.3
71.01256	12.4
71.38375	1.4
72.99186	1.8
73.02833	2.4
74.70482	0.8
75.00751	3.5
81.03335	1.0
83.01254	2.8
85.02811	6.6
87.00753	3.2
89.02316	10.6
91.01772	15.8
93.03323	2.3
95.01271	3.1
96.95901	1.0
99.00771	2.9
101.02325	5.3
107.01290	1.6
108.02046	19.9
108.35394	0.8
109.02843	8.0
113.02332	6.0
119.03367	0.9
121.02834	1.5
123.00784	5.5
124.01513	1.6
125.02327	4.4
133.02861	1.3
134.03604	1.3
135.00775	14.4
135.04401	1.5
137.02338	5.2
145.02873	1.0
149.02338	3.2
151.00285	2.0
151.03912	1.1
152.01059	20.5
153.01854	8.8
160.01617	1.2
161.02394	0.9
161.04446	1.1
163.03925	1.2
164.04681	2.3
165.05502	1.0
175.03951	1.6
176.01021	1.0
177.01778	1.0
181.04991	1.5
190.02682	2.3
193.04982	1.4
197.06033	1.4
198.03252	1.0
205.04961	3.2
213.05424	1.2
223.06096	2.7
225.11253	2.2
228.95900	1.0
243.06590	100.0
244.06883	6.4
249.06099	1.6
255.02791	1.0
269.04590	2.9
274.96237	0.9
285.04092	5.7
285.07483	1.2
297.06427	1.5
313.23846	1.3
339.07074	1.7
356.01895	0.9
373.25839	2.8
387.11072	1.1
447.12903	7.9
503.32123	2.5
537.16058	1.4
562.29285	1.3
578.32379	2.0
579.17157	25.4
579.32617	2.0
580.17468	2.7
591.23999	1.8
623.23383	3.4
623.33105	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	623.161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93631	1.1
59.01233	5.3
65.00212	1.2
67.05852	1.2
69.03307	5.7
69.47189	11.6
71.01241	5.9
72.99165	3.1
75.00761	1.6
83.01270	1.7
84.00584	1.1
85.02811	5.0
87.00747	2.3
89.02303	3.4
93.03320	4.7
96.95878	3.4
99.00726	2.7
99.01889	1.4
101.02301	3.2
108.02056	5.1
109.02833	3.5
111.04377	1.5
113.02312	4.0
119.04898	3.7
121.02831	1.7
123.04340	1.8
125.02335	5.1
133.02831	2.4
134.03598	4.1
135.04395	9.0
136.04649	1.6
137.02324	4.9
140.77937	1.3
141.04031	3.4
145.02834	5.4
149.02354	2.7
150.03140	3.3
151.04004	1.3
152.01064	8.4
153.01808	3.9
161.02322	5.9
163.03906	3.3
166.02501	1.5
173.04475	1.5
175.03851	2.9
177.01839	3.0
177.05466	2.9
179.03398	4.2
180.03731	1.2
185.00812	2.2
191.03703	1.8
191.05490	8.2
193.04803	2.1
207.10194	2.0
221.04564	1.4
225.11272	2.1
227.03554	1.5
227.49004	1.3
236.58070	1.4
237.07593	1.9
255.06700	1.5
269.04361	1.5
290.93542	1.3
298.04736	4.3
299.05353	2.2
311.05582	17.4
312.06363	50.9
313.06818	5.1
323.05548	3.5
324.06351	1.8
338.03870	1.7
339.05045	5.8
341.06448	3.6
344.05280	2.6
353.06650	2.8
355.08228	4.1
369.06131	2.3
383.07693	34.5
384.08035	3.2
395.07693	2.9
413.08704	19.5
425.08691	2.2
443.09402	1.6
461.10941	7.7
485.12561	1.6
503.11942	18.7
504.11139	1.3
533.13202	1.9
623.16119	100.0
624.16669	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	623.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72948	1.1
53.40739	1.3
56.88468	1.3
57.03337	1.9
57.47412	1.4
59.01255	6.8
59.59426	1.4
69.03322	4.9
69.25991	1.3
69.34523	9.2
69.34950	5.5
71.01254	8.1
78.53883	1.6
78.54333	1.3
81.03273	1.8
83.01244	1.7
85.02834	8.6
87.00759	1.7
89.02321	3.3
93.03326	4.4
95.01244	3.6
96.95863	3.0
97.02812	3.5
99.00745	1.7
101.02310	2.4
107.01298	2.1
108.02051	63.9
109.02861	16.8
111.00733	1.8
113.02308	4.4
117.03342	13.7
119.04908	42.5
121.02824	4.9
123.04413	2.3
125.02333	9.1
129.01756	1.7
132.31857	1.6
134.03600	2.3
135.04379	4.2
137.02315	4.3
145.02852	70.8
146.03186	2.2
149.02335	5.3
151.00246	3.6
151.03889	2.6
152.01054	100.0
153.01846	32.4
160.01619	1.8
161.02403	2.2
161.04449	1.6
163.03914	25.9
163.06099	1.7
165.05484	1.9
167.03448	3.0
173.04405	3.0
175.03856	3.0
177.01810	2.8
179.03406	1.9
181.04999	2.0
187.04074	1.7
190.02625	1.7
191.05557	9.0
193.04857	2.0
205.04977	3.6
223.06187	2.5
227.24081	1.7
230.45444	1.5
269.29630	1.4
271.02448	3.9
297.06171	5.5
298.04672	2.9
299.01950	2.9
300.02707	2.3
307.08090	5.0
315.07562	2.5
327.55075	1.5
341.06705	7.3
350.20413	1.6
372.30640	1.5
377.91299	1.5
395.37595	1.5
461.10870	76.8
462.11377	7.9
496.13995	1.6
503.11972	5.6
616.87408	1.5
623.16034	92.5
624.16248	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	623.1401
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
51.89030	0.5
56.34832	0.4
57.03306	2.2
59.01250	12.9
61.98683	1.6
63.02266	1.5
65.00184	1.9
65.24847	0.4
67.01764	0.5
68.99684	0.9
69.03312	0.5
71.00896	0.7
71.01250	10.0
71.67168	0.4
72.02564	0.5
72.99184	2.5
73.02803	2.4
75.00745	6.6
79.53889	0.4
81.03289	0.5
83.01242	2.1
85.02345	0.6
85.02824	8.7
87.00748	3.0
89.02299	3.4
93.03323	1.3
93.06935	0.7
95.01246	2.0
95.37269	0.5
96.95870	1.7
97.02826	0.5
97.06454	1.0
99.00752	3.5
101.02317	2.8
103.00234	1.0
107.01284	2.8
108.02055	1.3
109.02812	1.7
111.00755	0.8
113.02325	8.1
114.02628	0.5
117.01848	0.8
119.04912	0.9
121.02822	1.8
123.04385	0.7
123.08075	0.6
125.02334	1.3
129.01762	0.7
132.02061	3.7
133.02840	8.8
133.15608	0.5
134.03645	3.7
135.00743	0.7
135.04417	3.8
137.02397	0.8
140.31007	0.5
145.02838	0.6
147.00812	0.6
147.35753	0.5
149.02359	3.7
149.04404	1.3
149.05945	1.3
149.99333	0.5
150.03154	0.7
151.00279	4.1
151.03847	0.9
152.01091	1.0
153.01817	1.2
160.01556	10.6
161.02345	8.6
161.04446	0.6
163.06000	0.5
164.01018	0.5
164.04646	0.9
165.05363	0.6
171.04417	0.6
171.10092	0.7
175.00307	1.0
175.02490	0.8
175.03888	8.9
176.04419	0.6
177.01830	0.9
179.03392	2.6
183.13812	1.1
185.11734	3.6
190.02583	1.5
193.04977	2.3
197.05916	0.7
198.02950	0.5
199.03896	2.8
199.07526	1.0
199.13315	1.3
201.01881	1.0
205.04988	1.9
205.12416	0.5
206.02164	0.6
207.10321	0.8
211.04060	0.9
211.06053	1.6
217.05017	1.9
221.04428	0.8
223.06097	2.4
225.14915	1.2
227.03294	0.6
229.91281	0.9
237.04012	1.1
239.03581	0.7
241.04974	1.3
249.06099	5.4
255.02887	2.0
256.03745	2.8
257.04385	0.7
265.07047	0.5
267.03049	0.5
269.04462	1.0
284.03244	34.4
285.04013	100.0
286.04385	7.1
299.05597	13.2
299.08411	0.3
300.02731	0.6
300.05927	0.8
313.23877	0.8
323.07736	9.4
343.24878	1.6
355.24866	1.1
371.24329	1.5
372.24707	2.0
373.25861	16.2
375.27487	1.3
396.39816	0.5
407.37045	0.6
419.11639	0.6
563.30981	0.7
579.33881	0.9
605.31189	0.9
622.31482	8.5
623.14093	61.6
623.32635	52.8
624.14392	9.7
624.33325	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	623.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.2
59.01250	1.7
61.98690	0.6
63.02277	1.4
65.00180	1.0
69.12895	0.2
71.01251	0.9
71.57256	0.2
75.00736	0.3
78.95798	0.2
83.01264	0.7
85.02820	0.6
88.98669	0.2
89.02367	0.3
89.20710	0.2
93.03313	0.3
98.15559	0.2
98.19787	0.3
101.02332	0.4
105.03358	0.6
107.01270	1.6
108.02032	0.3
109.02858	1.2
113.02345	0.4
121.02820	1.3
123.04456	0.2
125.02338	0.4
132.02014	0.9
133.02850	6.4
134.03584	0.7
135.04434	0.5
137.02240	0.3
143.04950	0.2
147.00716	0.2
147.04485	0.4
149.02328	2.2
151.00285	3.7
151.03926	0.3
152.01006	0.4
160.01581	2.4
161.02393	1.0
163.03886	0.3
163.11230	0.2
171.04390	0.5
173.05998	0.2
175.03937	4.0
177.01855	0.7
177.07538	0.2
185.06006	0.6
189.05487	0.2
193.04951	0.4
197.05981	0.5
198.03233	0.3
199.03961	2.8
200.46799	0.2
201.01884	0.7
205.05046	0.2
207.10207	0.4
212.04778	0.3
213.05507	0.7
215.03479	0.3
217.04993	1.4
223.06058	0.4
225.11295	0.4
229.04959	0.5
231.98407	0.2
239.03465	0.5
240.04320	0.3
241.05048	0.9
243.02934	0.5
255.03035	0.4
256.03741	0.4
257.04492	0.6
267.02896	0.3
268.03802	0.3
269.04495	0.3
284.03256	7.6
285.04037	100.0
286.04398	6.8
299.05606	17.1
300.05945	1.0
323.07788	0.8
337.09180	0.3
429.08212	0.6
447.09247	0.2
623.14087	21.3
624.14343	4.1
638.47852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97647	1.5
57.03320	5.9
59.01248	42.0
61.98703	4.8
65.00201	2.0
66.03118	1.5
68.99697	4.2
69.75637	8.0
71.01254	23.3
71.04874	1.7
72.99188	3.2
73.02814	5.5
75.00731	2.9
78.95770	2.9
81.03330	2.0
83.01264	4.2
83.04893	2.2
85.02818	19.0
87.00751	7.3
89.02312	7.7
91.01774	2.6
93.03336	4.4
95.01263	5.7
96.95918	3.1
99.00764	5.3
101.02314	11.6
107.04950	1.8
108.02046	2.6
109.02855	3.8
111.00777	4.4
113.02309	17.3
117.03337	2.3
118.28587	1.6
119.01276	5.6
119.04899	3.0
120.01590	2.0
121.02813	9.0
123.00744	1.8
123.04378	1.8
124.01582	2.2
125.02321	4.6
129.01874	1.9
132.02071	2.7
134.03632	6.3
135.04427	4.8
137.02332	5.1
147.00772	3.1
147.04388	3.4
149.02333	32.5
149.05965	1.8
149.99474	1.8
150.02689	10.3
151.02838	5.6
152.01045	3.7
152.91100	1.6
152.99500	1.6
153.01816	3.1
157.01335	1.6
160.01576	3.5
161.04460	3.3
161.73695	1.5
162.03186	1.8
163.03915	3.1
164.04688	27.4
165.01906	2.2
165.05058	10.5
166.05167	4.4
169.04878	1.9
171.10181	3.7
175.00281	22.4
175.03923	3.8
176.00610	13.7
177.00821	5.1
179.05536	2.0
179.07059	3.8
183.13791	2.9
189.03886	1.6
190.02629	56.3
190.04346	3.2
191.02968	29.0
192.03101	13.7
193.05013	5.0
199.13286	4.5
205.04996	49.5
206.05313	29.6
207.05594	12.9
223.06059	50.8
224.06387	34.7
225.06538	14.6
263.07690	6.8
269.04434	3.8
270.04907	2.2
284.03336	3.0
285.03992	6.8
291.22891	1.7
297.24191	2.3
303.09399	2.2
309.24429	1.9
327.25388	28.4
328.25858	3.1
335.12387	1.7
339.25403	5.3
357.26413	97.4
358.26614	9.3
385.23993	2.0
468.37820	2.2
589.32056	4.1
621.12323	2.9
621.26929	25.6
621.36200	100.0
622.36115	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	623.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
63.01970	0.1
63.02261	1.9
65.00178	1.0
65.53429	0.1
67.71159	0.1
69.30250	0.5
69.30674	0.6
75.00740	0.1
83.01250	0.7
84.95018	0.2
87.02261	0.1
89.02313	0.2
93.03312	0.3
95.01238	0.2
105.03340	0.6
107.01270	2.5
109.02842	1.2
113.02306	0.2
121.02855	1.0
125.02265	0.2
131.01306	0.1
132.02063	0.7
133.02840	7.1
134.03726	0.6
135.00774	0.2
135.04379	0.3
137.02322	0.4
143.04918	0.1
147.04420	0.3
148.01544	0.3
149.02342	1.9
149.05952	0.2
151.00264	4.3
151.03838	0.3
152.00648	0.2
153.01807	0.2
155.05083	0.1
157.02875	0.1
158.03667	0.1
160.01555	1.9
161.02332	0.8
162.02637	0.1
167.04912	0.1
169.01262	0.2
169.06558	0.1
171.04456	0.6
173.02377	0.1
173.05980	0.3
174.03198	0.1
175.00317	0.1
175.03915	4.2
177.01814	0.5
185.05975	0.7
187.03899	0.3
189.05472	0.4
193.05009	0.1
195.04344	0.2
197.05978	0.4
198.03111	0.4
199.03918	2.6
200.04472	0.1
201.01857	0.9
205.04817	0.2
211.03886	0.3
212.04706	0.2
213.05534	0.6
214.02698	0.2
215.03458	0.6
217.04980	1.4
223.03879	0.3
223.05902	0.1
226.02695	0.2
227.03375	0.3
229.04965	0.4
239.03406	0.4
240.04099	0.3
241.05002	0.8
242.02155	0.2
243.02942	0.8
255.02885	0.3
256.03656	0.6
257.04547	0.6
267.02930	0.5
268.03577	0.1
284.03244	7.6
285.04010	100.0
286.04364	7.9
286.07739	0.1
292.55069	0.1
299.05588	17.9
300.05933	1.6
323.07755	0.9
349.88406	0.1
424.08578	0.1
429.08066	0.6
447.09201	0.3
598.93744	0.1
623.14008	25.5
624.14343	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	621.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81858	0.9
55.01773	0.8
57.03316	4.3
59.01254	18.6
61.98693	4.1
62.52515	0.8
67.01781	2.6
68.99690	3.9
71.01255	15.4
71.04913	0.9
71.27268	0.7
71.59304	1.3
72.99204	2.9
73.02840	3.0
75.00751	3.7
78.86706	0.7
78.95798	2.8
81.03346	1.1
83.01289	3.3
83.04932	1.3
85.02827	16.0
86.00025	0.8
86.60767	0.8
87.00754	4.6
88.98708	1.2
89.02333	6.1
91.03905	1.9
91.78324	0.6
93.03384	3.1
93.06997	1.0
95.01290	3.5
96.95941	2.1
97.02871	0.9
97.06496	1.1
99.00766	3.8
99.04408	1.3
101.02307	4.9
107.04925	0.8
108.02133	1.4
109.02854	1.6
111.00785	3.7
111.08032	0.9
113.02334	13.8
117.05515	1.2
119.01347	0.8
119.03437	1.4
119.04957	1.0
121.02898	2.4
123.04428	1.7
125.02380	2.3
125.09653	1.9
127.00282	0.9
129.01894	1.5
134.03712	2.6
135.04462	2.1
137.02422	2.9
139.00319	2.0
141.04041	0.9
143.03435	1.2
149.02371	5.3
152.01086	1.5
152.99547	1.4
153.01819	1.5
160.01581	1.2
161.04517	0.9
161.08139	2.1
163.03993	1.5
164.04727	5.5
165.01900	0.9
165.12788	1.3
167.03546	0.8
171.10268	2.4
175.00281	4.8
175.04034	1.9
176.00935	0.9
183.13792	4.1
190.02640	15.1
191.03102	2.2
192.03262	1.2
193.05096	2.8
195.06793	0.7
205.05025	13.9
205.06776	0.9
206.05507	2.5
207.05629	0.8
209.11890	1.1
223.06081	7.3
224.06573	1.6
227.13034	1.0
227.16483	4.9
249.06287	3.5
253.18077	4.2
255.03191	1.0
263.07672	7.4
267.07303	0.9
267.23260	1.2
285.04306	2.1
309.24411	1.8
311.22186	7.3
327.25360	6.8
339.25574	1.6
357.26440	100.0
358.26755	11.0
368.99213	0.9
371.10123	0.9
371.24564	1.5
411.15366	1.4
477.19772	1.1
521.33691	1.7
589.33002	1.9
621.35468	76.8
622.35950	13.3
636.32501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	2.0
57.03312	5.0
58.00465	2.0
59.01249	60.6
60.01575	1.3
61.98684	2.7
63.89385	1.1
66.06883	1.0
71.01254	38.5
71.58407	1.1
71.59119	1.3
72.99170	6.0
73.02821	11.4
75.00739	8.6
78.95765	1.5
81.03339	2.3
83.01256	7.8
83.04876	1.8
85.02821	18.4
87.00750	8.6
87.04364	2.0
89.02311	11.6
93.03336	4.1
95.01261	3.5
95.04899	2.0
96.95897	10.4
97.02821	2.4
98.95415	1.2
99.00742	7.1
101.02319	24.3
103.03902	1.7
103.89775	1.0
107.04896	1.3
108.02060	3.7
109.02833	3.5
111.00756	2.6
113.02317	15.2
113.05946	1.2
117.03333	3.2
119.03388	3.7
119.04888	2.5
121.02856	2.2
123.04457	6.8
123.05238	1.5
123.08039	1.5
124.01517	1.7
125.02330	8.7
125.09652	1.2
129.01845	1.4
133.02847	1.3
134.03622	17.9
135.02864	2.6
135.04451	5.5
137.02341	6.3
137.09618	1.5
141.04121	1.8
148.05182	1.2
149.02362	6.5
149.06009	2.7
150.03053	2.9
151.00275	3.4
151.03908	5.2
151.99873	1.0
152.01062	4.0
153.01842	2.4
153.05493	1.2
155.10655	1.4
159.02771	1.1
160.01564	4.2
161.02286	3.4
161.04485	4.2
163.00270	1.2
163.03893	3.9
163.06021	3.0
163.11148	1.1
164.04680	4.8
165.05396	1.9
166.02608	1.8
167.03423	16.2
168.00531	1.4
168.03818	1.1
169.01396	1.0
171.10222	8.6
173.04475	1.8
175.00247	4.6
175.03931	6.1
177.01924	1.9
178.02667	1.3
179.03400	2.1
179.05516	1.3
181.04919	1.2
183.13841	2.2
185.11729	1.5
190.02635	7.0
191.03358	1.9
191.05420	1.7
193.01344	1.6
193.03297	2.0
193.04982	23.9
205.05038	9.0
205.06886	1.9
205.12411	1.2
223.06071	5.5
249.06053	3.0
255.02878	3.0
267.07156	1.3
269.04483	2.2
275.96643	1.1
283.02405	3.3
284.03339	1.9
285.04111	3.9
315.07037	1.5
327.21732	1.3
355.24857	5.8
357.26505	1.1
371.24326	2.6
373.25885	30.5
374.26291	2.7
415.23297	21.4
416.23825	3.1
495.31812	1.3
517.30267	6.7
535.31177	21.4
536.31384	3.0
561.20551	2.5
561.29144	35.8
562.29669	5.7
577.32251	100.0
578.32581	12.5
621.16791	1.5
621.31390	16.5
622.32306	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.5
69.24676	0.9
69.25079	7.7
71.01247	3.4
73.02823	1.6
85.02831	2.3
89.02324	1.7
93.03313	1.2
95.01263	1.3
96.95866	1.8
99.00728	0.8
101.02319	1.4
107.01195	1.0
109.02861	3.8
112.13174	0.8
112.18968	0.7
113.02319	2.0
119.03275	0.8
121.02849	1.3
123.00788	3.1
125.02335	2.9
134.03636	1.2
135.04417	0.9
137.02345	12.0
143.04633	0.8
143.68842	0.8
149.02357	2.8
150.03069	0.8
151.00272	21.9
151.03906	1.6
152.00967	1.7
152.04695	3.4
153.01892	1.3
159.04439	0.9
164.04761	0.8
165.01826	0.8
165.05482	0.8
166.02634	67.1
167.03149	3.6
169.01271	1.0
173.18840	0.7
175.03893	1.3
177.01831	3.2
179.03326	1.1
181.04988	86.6
182.05309	3.6
184.03566	1.2
185.06018	0.8
190.02592	1.2
190.06271	1.2
191.03474	0.9
192.04231	1.2
193.04984	2.4
194.05441	1.0
195.06511	1.0
205.04974	2.4
205.08705	1.4
207.06554	2.1
219.06580	1.0
223.06152	1.0
224.88445	1.0
227.07086	8.4
268.03729	7.7
269.04459	22.3
270.04800	16.2
271.05078	13.8
284.03357	0.8
285.03906	1.2
313.03644	1.0
341.09988	1.1
351.92224	0.8
359.11240	1.2
373.49280	0.7
387.10849	17.1
388.11105	1.9
402.13120	7.5
403.13950	0.8
417.15543	100.0
418.15848	13.3
418.21368	0.8
474.48962	0.8
539.39362	0.8
561.15076	5.5
579.16254	6.0
580.16638	0.8
621.17255	9.3
622.17126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.145
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinopyranosyl)-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01248	2.0
63.02263	1.6
63.03381	0.1
65.00184	1.7
69.41479	0.6
69.41910	0.8
73.02810	0.3
75.00754	0.2
83.01254	1.2
85.02831	0.4
87.00743	0.2
89.02309	0.6
93.03347	0.4
95.01260	0.3
96.95898	0.4
98.20623	0.2
98.95479	0.2
99.00754	0.2
99.50203	0.1
101.02324	0.3
105.03341	0.5
107.01273	2.9
108.02072	0.2
109.02842	1.1
109.94525	0.2
113.02339	0.6
119.04912	0.2
121.02821	0.7
123.00751	0.4
125.02364	0.4
132.02054	0.2
133.02841	5.5
134.03677	1.1
135.04385	0.4
143.04913	0.2
147.04457	0.2
148.01537	0.4
149.02321	1.9
149.99452	0.4
151.00266	6.0
151.03903	0.3
152.00819	0.3
153.01859	0.1
161.02347	0.4
163.03818	0.2
163.06006	0.2
169.01320	0.5
169.06412	0.2
171.04393	0.5
173.05878	0.2
174.01671	0.2
175.03909	2.7
176.04330	0.2
177.01817	0.6
183.04465	0.4
185.05957	0.6
187.03911	0.5
189.05470	0.2
191.05521	0.5
195.04457	0.3
197.05946	0.4
198.03125	0.5
199.03914	3.0
200.04683	0.4
201.01836	0.8
211.03893	1.1
211.13370	0.3
212.04709	0.4
213.05463	0.6
214.02562	0.2
215.03423	0.6
217.04976	1.5
227.03415	1.1
228.04092	0.4
229.04918	0.3
239.03441	0.7
240.04187	0.3
241.05017	1.0
243.02980	0.8
255.02939	1.0
256.03711	3.4
257.04468	1.0
264.60858	0.2
267.02866	0.4
268.03680	0.3
269.04376	0.4
271.02591	0.2
283.02505	0.6
284.03241	58.5
285.04001	100.0
286.04358	6.8
297.03653	0.2
298.04553	0.2
309.04028	0.6
312.05048	0.3
327.05042	1.0
429.08109	0.2
444.19562	0.4
445.19547	0.2
447.09363	0.3
471.09378	0.5
489.10269	3.7
490.10876	0.3
561.12366	0.3
561.29510	0.2
579.13452	0.8
621.14539	80.2
622.14874	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	620.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87070	0.9
59.01241	3.1
61.43166	1.1
61.60326	1.0
61.60854	0.9
65.99730	1.3
68.99693	1.6
69.44350	8.0
71.01260	3.7
74.03113	0.9
75.00735	1.5
81.03328	1.8
83.01263	2.9
85.02821	2.4
89.02287	1.7
93.03323	3.6
95.01279	1.0
97.02832	2.1
98.20603	2.0
99.00764	1.0
100.74194	0.9
107.01228	1.1
109.02821	5.4
111.00750	1.7
111.04396	1.6
113.02314	2.2
117.03329	4.3
119.04894	3.2
120.04392	1.7
121.02845	2.9
123.04404	3.8
125.02341	8.7
132.04398	1.8
133.02853	3.6
134.02341	2.7
135.04388	4.0
137.02342	6.2
139.03906	2.0
139.59001	1.2
145.02800	1.6
147.04352	1.8
148.03949	3.5
149.02310	5.0
150.03116	3.8
151.03888	4.7
153.01822	3.4
156.04407	1.2
160.03926	2.9
161.02393	3.7
163.00264	1.7
163.03868	4.3
165.01810	4.3
165.05447	1.5
166.02600	3.0
167.03416	6.5
173.02246	1.7
174.05534	2.6
175.03871	3.5
176.00984	1.1
177.01833	3.6
177.04221	6.2
177.05470	1.4
178.02521	1.8
178.04922	2.7
179.03406	7.9
180.04201	1.6
181.05078	2.4
189.01883	1.2
189.05536	1.7
190.02621	1.1
190.04842	1.2
191.03441	5.9
191.05455	2.3
192.02827	2.5
193.01328	2.4
195.02927	1.1
197.04501	2.8
199.03949	1.4
199.05850	1.1
200.03421	1.8
203.03412	3.7
205.01460	2.4
205.03719	10.5
206.02307	1.4
206.04420	1.8
207.02876	4.1
207.04791	2.3
208.03552	1.6
209.04485	3.3
214.05011	1.5
215.03548	1.6
216.06625	3.7
218.04570	3.5
219.02946	3.9
220.03728	1.2
221.00876	1.3
221.04477	3.4
227.07124	1.4
233.04465	2.9
235.02386	4.0
236.02901	1.2
237.04021	2.1
239.05478	3.1
245.04605	1.9
247.02397	1.5
248.05687	1.5
249.03889	2.0
265.03476	1.3
267.07080	1.2
277.03482	2.1
281.04388	2.7
282.05258	1.2
283.06049	3.3
285.03976	1.1
291.05203	1.7
295.06046	3.3
296.07019	2.5
297.04242	1.2
297.07816	6.5
298.04721	4.8
299.05505	3.3
301.03674	1.1
307.04587	1.6
309.07736	1.5
311.05606	6.9
312.06189	2.9
313.07153	4.4
322.07257	1.3
323.05621	3.7
325.07065	3.7
327.05029	5.0
328.05661	1.9
331.06729	3.9
338.08853	15.3
339.04932	6.0
339.08649	1.3
340.08389	2.3
341.06641	2.9
343.08038	1.3
353.06564	15.0
354.06570	1.2
355.07748	1.5
357.06137	1.1
362.06607	1.5
364.08170	1.5
365.06653	2.6
368.09976	12.6
369.06024	13.2
380.07651	2.1
381.06229	1.4
382.09488	5.0
383.07669	11.5
384.08212	1.4
392.07764	4.1
395.07361	1.5
399.07162	8.8
410.08789	13.8
411.07819	1.9
412.10428	4.8
413.09018	3.1
417.16010	1.7
422.08841	6.4
424.10287	1.2
425.08572	1.4
429.08249	3.9
430.08884	1.2
440.09814	17.0
441.08917	2.4
442.11517	2.9
443.09778	9.0
444.10330	1.5
452.09952	3.7
458.12875	11.1
459.09344	4.5
470.10626	8.5
471.10757	1.7
473.10742	5.2
482.10757	3.2
489.10214	3.8
500.11972	20.2
501.12369	2.2
512.11902	4.7
530.12909	20.1
531.12665	2.0
542.13080	3.3
560.14087	3.8
561.12555	1.9
563.14020	33.6
564.14539	4.5
579.13593	8.2
584.13599	1.9
602.15070	12.6
603.14581	1.2
620.16150	100.0
621.16211	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	619.278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43665	0.3
54.02035	0.3
57.03317	0.9
59.01248	10.6
61.98715	0.8
62.61211	0.3
63.86254	0.3
65.00207	0.9
67.43478	0.3
71.01253	4.3
72.01585	0.3
72.99171	0.6
73.02824	1.1
75.00735	0.7
78.95796	0.6
81.03346	0.3
83.01260	0.6
83.93405	0.3
85.02816	2.4
87.00771	0.4
89.02325	1.2
89.03850	0.5
91.01759	1.9
91.05419	1.0
93.03331	2.1
95.01257	0.7
96.95891	0.6
97.06525	0.4
101.02316	2.5
103.71102	0.3
105.46095	0.3
107.04932	1.1
108.02039	0.4
113.02307	1.6
117.03336	0.8
119.01269	7.0
119.04936	1.1
121.02838	7.9
123.04366	0.4
125.02338	0.5
125.09614	1.0
128.03471	0.5
132.02057	0.8
134.03651	2.0
135.04388	2.5
137.02327	0.9
139.00247	0.4
143.04608	0.4
145.02849	0.4
147.00777	5.2
147.04414	3.1
149.02339	50.2
150.02670	1.9
152.01036	0.8
152.99416	0.4
153.01805	0.8
161.02391	0.5
161.04422	0.7
162.03120	1.1
163.03912	3.0
163.11151	0.5
164.04694	40.8
165.01859	3.0
165.05031	1.7
169.04875	0.4
169.12157	0.4
171.10179	6.3
172.10515	2.2
173.10719	0.7
175.00279	38.7
176.00648	2.0
177.01939	0.4
177.05557	0.3
179.07037	5.2
181.05014	0.4
189.01865	1.3
190.02634	90.2
191.03044	4.9
193.01311	0.6
193.05037	0.6
205.04993	76.0
206.05312	4.2
208.03633	0.7
209.04448	0.5
209.11765	4.7
209.15375	0.9
210.12114	2.5
211.12363	0.4
211.13324	0.4
223.06056	100.0
224.06377	4.7
227.12834	1.0
228.13158	0.7
269.04559	1.4
285.04050	0.5
306.07657	0.4
311.05618	0.4
439.43158	0.3
559.25000	1.2
604.25665	0.5
619.27502	44.5
620.27893	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	619.2556
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.78431	0.8
54.96449	0.9
56.78603	0.8
59.45725	0.9
63.64727	0.9
70.90037	2.7
78.95782	4.6
85.36517	1.0
87.78370	1.1
116.35852	1.0
152.99475	3.1
255.23305	3.1
389.15118	0.9
401.13947	2.8
415.15533	3.3
416.16422	17.3
417.16663	2.3
430.18076	2.6
431.18396	2.0
444.15869	1.1
458.17389	1.4
459.18240	100.0
460.18640	14.2
473.19888	16.0
474.20453	6.9
475.20679	1.1
487.17984	1.4
503.17102	3.0
518.11761	1.7
518.19519	40.8
519.20032	7.1
532.21155	6.4
533.21893	80.1
534.22266	14.2
587.22699	5.7
619.25592	58.6
619.34888	2.3
620.25787	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	619.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10119	0.4
57.03327	0.7
59.01250	9.7
61.98696	0.6
65.00220	0.6
70.93262	1.0
70.93605	0.5
71.01250	4.0
72.99174	0.4
73.02817	0.6
75.00737	0.6
75.47205	0.4
82.94213	0.4
83.01231	0.4
85.02831	1.7
87.00774	0.7
89.02338	0.9
91.01760	2.1
91.05439	0.8
93.03327	1.9
95.01266	0.6
96.95860	0.5
99.00738	0.8
101.02327	1.8
109.02859	0.5
113.02319	2.1
117.03342	0.9
119.01271	7.2
119.04918	1.4
121.02847	9.8
132.02069	1.0
134.03651	2.2
135.04417	2.2
137.02354	0.6
145.02863	0.8
147.00798	4.7
147.04417	3.6
149.02353	54.3
150.02725	1.5
152.01036	0.8
153.01796	0.4
160.01572	0.5
161.02370	0.6
162.03191	0.9
163.03951	2.7
164.04706	45.6
165.01833	2.5
165.05124	1.2
171.10229	0.6
175.00291	40.2
176.00787	2.5
177.01935	0.5
179.07045	5.2
189.01900	1.2
190.02654	90.7
191.03056	5.1
194.08240	0.4
205.05006	81.0
206.05371	3.2
207.02917	0.7
208.03705	0.9
209.04501	0.5
209.11742	0.7
209.15439	0.6
223.06075	100.0
224.06412	4.4
269.04559	8.9
270.04938	0.5
405.68912	0.4
604.25427	0.8
619.27490	50.0
620.27954	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	619.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46277	0.2
55.01753	0.2
57.03308	0.5
59.01248	8.0
61.98687	0.4
65.00179	0.2
67.01763	0.3
69.03337	0.3
71.01250	4.4
71.58213	0.3
72.99176	0.6
73.02821	1.7
74.02325	0.2
75.00748	0.8
83.01254	0.9
83.04903	0.4
83.14141	0.2
85.02824	2.6
87.00755	0.7
89.02326	1.1
89.03832	1.7
93.03342	0.6
95.01298	0.5
96.95901	1.4
97.02830	0.6
99.00766	1.1
99.04401	0.4
101.02320	2.3
106.04129	0.4
107.04910	0.3
109.02841	0.3
111.00767	0.3
111.04421	0.2
113.02323	2.4
117.02544	0.4
117.03339	5.0
119.03403	0.3
119.04916	0.6
121.02840	0.5
121.06483	0.2
123.00755	0.2
123.04318	0.2
125.02338	0.7
129.01836	0.3
132.02066	3.2
133.02829	0.6
134.03624	80.2
135.02881	1.2
135.03983	2.5
136.79634	0.2
137.02325	1.1
139.03900	0.4
143.03410	0.3
149.02316	1.1
149.05988	6.6
150.03078	0.3
150.45711	0.2
150.73347	0.2
151.00247	0.3
152.01051	0.3
153.01830	0.4
153.10109	0.2
160.01566	9.2
160.03799	0.5
161.02396	0.9
161.04407	1.4
163.00299	0.2
163.03893	0.3
164.04695	0.6
165.01791	0.3
165.05414	0.4
171.10199	1.0
172.10463	0.4
175.00311	0.5
175.02652	0.4
175.03909	12.6
176.04227	0.5
177.01785	0.2
178.02591	1.3
179.03386	0.2
183.13844	0.5
186.35872	0.2
190.02695	0.9
191.05434	0.3
193.04977	100.0
194.05316	3.8
205.05048	1.2
205.12241	0.2
209.11737	0.7
210.12054	0.5
223.06058	0.9
251.16484	1.2
267.07190	0.4
268.03665	0.6
269.04520	2.4
269.10245	0.7
285.03918	0.6
316.42728	0.2
371.24414	0.2
381.06198	0.2
383.13464	1.4
401.14398	0.5
425.14920	0.2
443.15436	1.4
477.19696	0.3
575.23096	0.2
575.31061	1.6
588.08984	0.2
619.18933	1.6
619.30029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1666
Annotation	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
52.09587	0.3
59.01251	1.9
63.02272	1.2
63.29044	0.4
65.00201	1.0
66.69149	0.3
70.88979	0.4
70.89298	0.8
71.01260	0.7
83.01260	0.5
85.02834	0.5
93.03331	0.5
96.95907	0.7
107.01266	1.9
113.02335	0.5
117.03339	2.7
119.04882	0.4
149.02301	0.9
151.00284	2.3
159.04424	0.7
160.01489	0.5
161.02319	1.1
169.06546	0.4
171.04364	0.7
171.88396	0.5
175.03859	0.6
181.06491	0.7
183.04390	0.6
195.04454	0.6
196.05275	0.7
197.06001	0.4
211.03966	0.8
225.05536	1.3
227.03508	0.4
239.03409	1.9
240.04169	2.4
264.26135	0.4
267.03064	0.7
268.03757	35.9
269.04526	100.0
270.04868	8.4
308.03949	0.4
311.05600	0.5
404.92953	0.5
413.08682	1.5
443.19116	2.5
444.18604	0.4
559.14581	16.1
560.14789	2.8
577.15594	18.6
578.15924	2.9
619.16608	24.1
620.16962	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	617.39
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
61.43787	1.2
62.54886	1.2
69.31894	4.4
69.32318	7.6
78.95741	1.7
85.02825	3.5
89.50903	1.2
98.19742	2.6
124.92004	1.1
152.99361	1.2
167.10657	3.5
171.10210	1.8
185.11736	68.7
186.12097	3.1
203.12811	14.7
241.77682	1.2
242.49509	1.2
245.13892	46.0
249.24338	1.1
263.69418	1.3
353.23303	3.1
372.24289	1.4
431.26477	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	619.1665
Annotation	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
55.08038	0.1
56.67813	0.1
59.01248	0.9
63.02260	1.7
64.99873	0.2
65.00181	1.0
65.00480	0.1
69.48660	0.1
69.49078	0.6
71.01252	0.2
73.02821	0.1
77.33224	0.1
78.74777	0.1
83.01260	0.5
85.02827	0.1
89.02335	0.2
92.17358	0.1
93.03328	0.3
101.02370	0.1
103.73025	0.1
105.03366	0.2
107.01273	2.0
117.03336	3.5
118.03699	0.1
121.02847	0.2
132.02051	0.1
135.04436	0.3
135.83482	0.1
147.00789	0.1
148.01523	0.2
149.02356	1.0
151.00275	1.5
157.06505	0.2
159.04436	1.3
161.02348	0.9
169.06508	0.4
171.04448	0.4
172.05223	0.3
180.05791	0.2
181.06497	0.5
183.04482	0.9
184.05127	0.2
185.02460	0.1
195.04442	0.3
196.05266	0.4
197.06010	0.9
199.03900	0.3
200.04594	0.2
201.05563	0.6
203.03484	0.1
209.41708	0.1
211.03946	0.6
212.04724	0.3
213.05391	0.2
224.04680	0.4
225.05501	1.3
227.03499	0.6
239.03445	1.2
240.04250	1.4
241.04910	0.2
267.02884	0.6
268.03754	19.7
269.04529	100.0
270.04883	7.4
270.07968	0.2
293.04440	0.1
311.05484	0.3
455.10013	0.7
457.11356	0.3
473.10956	0.3
559.14398	0.4
560.14441	0.1
577.15540	2.4
578.15784	0.3
619.16632	46.6
620.16943	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	617.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.6
58.00478	0.3
59.01246	6.5
61.98709	0.5
69.03358	0.4
69.79873	1.9
70.22379	0.3
71.01243	4.1
71.01546	0.4
72.99167	0.7
73.02830	1.0
75.00741	0.7
80.02543	0.7
81.03337	1.2
83.01252	0.9
83.04893	3.7
84.02014	0.7
85.02824	1.8
87.00755	0.6
89.02322	2.8
93.03300	0.6
94.10551	0.3
95.01250	0.4
95.04920	0.7
96.95898	0.5
97.06516	0.5
99.00770	0.6
101.02313	4.0
109.02843	0.8
109.06469	0.4
113.02328	2.3
119.01316	0.5
119.03378	0.7
121.02871	0.7
123.08035	0.4
125.02316	1.3
125.05947	0.5
125.09611	1.5
127.11150	2.0
134.03584	0.4
135.04372	0.6
135.08058	0.6
137.02325	0.9
139.00267	0.3
145.04904	0.3
147.00824	0.4
147.04427	0.4
149.02351	3.0
151.00223	0.4
152.01019	0.6
153.09100	0.6
155.86307	0.3
161.02400	0.5
161.04475	1.0
163.11203	2.8
164.04672	2.2
165.01788	0.4
165.12764	2.2
171.10170	100.0
172.10512	4.9
175.00287	2.3
175.03915	0.4
179.03534	0.4
179.05592	0.5
179.07082	0.4
181.12288	0.9
183.13852	0.6
190.02628	5.5
191.03171	0.4
191.05626	0.4
191.10663	1.2
197.11621	0.4
205.04962	5.7
206.05556	0.5
209.11758	87.6
210.12125	5.6
223.06085	5.0
225.11198	0.3
227.12828	13.1
228.13159	0.9
235.08186	3.0
239.54903	0.4
247.06105	1.0
253.09245	8.0
265.07370	0.4
285.03949	0.9
345.20859	0.4
407.19168	1.4
427.12115	0.4
445.20667	1.3
455.26617	0.6
463.21140	0.4
497.46509	0.4
517.29639	0.4
581.28326	0.5
599.30328	0.5
617.25647	1.4
617.33862	0.4
618.25861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.9
59.85099	0.5
62.87029	0.5
65.00224	0.5
69.09277	0.6
69.29810	4.7
69.30227	0.8
71.01247	5.8
72.99187	0.6
73.02831	1.9
75.00751	0.6
79.71024	0.5
81.03353	1.0
83.01291	0.6
83.04920	1.4
85.02832	1.7
87.00772	1.0
89.02335	2.1
91.01792	1.6
91.05425	0.7
93.03346	1.7
95.01271	0.8
96.95891	0.8
101.02320	2.9
107.04906	0.6
109.02879	0.7
113.02325	2.4
113.06019	0.6
117.03439	1.0
119.01279	7.2
119.04961	0.8
121.02834	6.1
123.04418	0.7
125.02368	1.1
125.05961	0.6
127.11190	0.7
132.02037	0.7
133.02844	0.7
134.03650	2.2
135.04419	2.4
137.02339	0.8
137.09631	2.3
143.03398	0.6
146.53494	0.5
147.00774	4.9
147.04379	3.0
149.02347	42.5
150.02776	1.5
152.01085	0.9
153.01830	0.6
161.04440	1.1
162.03075	0.7
163.03906	3.1
163.11214	1.0
164.04700	37.7
165.01823	2.8
165.05093	1.0
165.12773	0.7
171.10187	42.6
172.10547	1.3
175.00291	41.4
176.00676	1.6
179.07027	5.0
189.01849	1.0
190.02643	95.6
191.03047	4.1
193.04881	0.6
197.11925	0.8
199.13347	0.7
203.05550	0.9
205.05000	78.9
206.05396	2.9
207.02869	0.8
208.03743	0.9
209.11760	34.4
210.12093	1.5
221.08183	2.7
223.06064	100.0
224.06345	3.9
227.12907	6.2
235.08177	0.9
237.07581	1.2
247.03517	0.7
247.06055	13.4
248.06474	0.8
253.09181	3.0
265.07199	7.7
289.07095	0.5
337.83865	0.7
367.10172	0.7
407.18976	0.6
409.11285	1.8
427.12430	4.0
469.85651	0.6
506.35291	0.5
513.30353	0.8
547.97430	0.6
602.23218	0.6
617.25836	29.2
618.26147	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57788	0.4
54.38664	0.4
57.03321	0.6
59.01250	8.3
60.41645	0.3
65.00198	0.5
69.03313	0.3
70.63308	0.4
71.01254	4.9
72.99191	1.2
73.02816	1.7
73.40630	0.4
75.00739	0.8
83.01248	0.7
83.04889	0.6
85.02824	2.0
87.00732	0.6
89.02319	1.3
91.01746	2.2
91.05418	0.5
91.30487	0.3
93.03338	1.9
93.56651	0.4
96.95870	1.0
98.20536	0.9
99.00752	0.6
101.02356	2.2
105.03308	0.4
107.04880	0.6
108.02071	0.6
109.02849	0.7
111.00797	0.4
111.08000	0.4
113.02332	2.7
117.03334	0.9
119.01270	6.1
119.03419	0.4
119.04910	1.4
121.00020	0.4
121.02834	8.3
123.04377	0.5
125.02339	1.6
125.09553	0.5
132.02055	1.2
133.02856	0.8
134.03621	1.7
135.04405	2.6
137.02354	0.9
137.09625	1.6
143.03423	0.6
147.00797	4.4
147.04410	3.5
149.02341	49.7
150.02788	1.4
151.00233	0.5
151.03877	0.6
152.01024	1.1
153.01802	0.6
155.03413	0.6
160.01595	0.5
161.02309	1.1
161.04526	0.4
162.03105	0.8
163.03934	2.6
163.11153	0.4
164.04695	44.0
165.01828	2.4
165.05092	1.6
165.12759	0.9
169.04948	0.4
171.10176	12.3
172.50919	0.4
173.04309	0.4
175.00281	37.6
176.00693	1.5
177.01851	0.7
179.07053	4.4
182.69044	0.4
183.13805	1.4
189.01859	0.9
190.02635	82.8
191.03053	4.5
193.01437	0.5
193.04919	0.6
197.11775	1.4
199.13344	0.7
201.11270	1.4
203.05542	0.7
205.04996	68.0
206.05341	4.1
207.02887	0.4
208.03705	0.6
209.11731	7.8
221.08134	2.1
223.06062	100.0
224.06393	4.7
227.12856	3.2
237.07614	1.2
247.06091	14.9
248.06450	1.1
253.09225	1.6
265.07138	6.4
284.03268	0.7
285.03931	1.2
289.07208	0.6
337.09311	0.6
367.10089	1.0
409.11310	1.0
427.12393	4.2
428.12610	0.6
525.85956	0.4
557.15436	0.6
617.25909	18.7
618.26190	3.7
623.74402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	6.7
57.91776	4.3
59.01249	100.0
69.03329	11.8
71.01252	68.1
72.99181	12.8
73.02806	11.5
75.00737	8.1
78.95788	32.5
83.01261	10.1
83.04864	5.7
85.02834	29.4
87.00743	9.5
89.02310	84.5
93.03349	24.7
95.01254	6.9
96.79124	5.1
96.95889	41.7
96.96841	53.0
97.02831	6.9
99.00750	8.4
101.02316	53.6
104.03463	5.5
108.02039	8.0
109.02828	18.3
109.19699	4.6
113.02320	40.2
119.03391	55.0
119.04872	25.7
121.02824	7.0
122.03551	5.1
123.00752	7.3
124.01517	5.6
125.02324	8.5
131.03419	5.9
133.02837	5.4
134.03622	8.8
135.04414	18.8
137.02341	34.2
141.04036	5.9
141.24263	4.7
143.03418	13.7
145.02838	15.8
149.02319	13.6
149.05855	4.9
150.03107	21.3
151.00230	6.0
151.03891	13.2
152.01038	10.3
153.01837	24.1
155.03407	6.0
160.01505	6.5
161.02318	8.8
161.04433	20.4
163.03877	6.2
165.01793	9.3
165.05473	24.3
168.00609	7.3
173.04512	16.4
175.02451	4.7
175.03908	14.6
177.01877	7.1
179.03435	12.4
179.05530	51.8
180.04219	7.6
181.04868	8.2
185.00755	4.8
187.03976	5.4
190.02638	6.1
191.03981	5.0
191.05481	31.4
193.04976	15.5
195.06544	23.8
205.05035	10.8
223.05991	7.3
225.07573	7.5
227.07257	10.5
229.81393	5.3
250.07169	8.8
271.09888	5.5
285.03775	7.0
300.18616	5.2
373.12646	6.6
391.14468	5.3
401.15994	51.2
412.12311	31.8
581.22485	61.9
582.22198	12.3
617.20941	6.6
618.21014	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	615.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01250	5.3
60.94361	0.4
61.98695	1.3
65.00208	0.8
69.03322	1.1
71.01254	3.5
71.58086	0.6
72.99191	0.8
73.02825	1.6
75.00723	0.5
77.84284	0.4
83.01262	0.9
85.02802	2.4
87.00721	0.8
88.85809	0.4
89.02309	3.4
93.03333	2.1
95.01267	0.7
96.95882	4.2
97.02798	1.0
99.00755	5.9
101.02331	1.6
107.01279	1.9
108.02049	1.0
113.02313	4.2
117.03335	1.1
119.01281	0.6
119.03393	0.7
119.04916	3.9
121.02847	7.2
123.00775	0.4
125.02358	1.0
131.03433	0.6
132.01999	1.0
134.03586	1.1
135.04385	1.3
136.01549	0.6
137.02362	1.5
139.00269	0.4
139.03928	0.6
145.02829	0.8
147.00810	0.6
147.04408	4.0
149.02342	53.8
149.04370	1.7
150.02708	1.4
151.00272	7.0
151.03905	1.0
152.00981	1.4
153.01805	0.5
159.04469	0.4
160.01550	0.5
161.02310	0.6
161.04477	0.8
163.03947	1.2
164.04695	46.4
165.01820	1.5
165.05048	1.9
167.03409	0.5
173.04471	0.5
175.00278	3.9
175.03929	0.5
177.01895	0.9
178.02695	0.6
179.03423	0.5
179.07057	4.1
181.04977	0.5
185.00858	0.8
190.02646	8.1
191.03050	0.5
191.05553	1.8
193.01308	0.9
193.04965	1.1
195.06589	1.2
205.05005	11.1
206.05341	1.0
208.03780	2.5
223.06062	100.0
224.06421	5.7
225.05531	0.5
268.03708	5.5
269.04526	25.9
270.04794	3.8
271.02835	0.5
271.06061	4.6
285.03979	0.5
301.03189	0.5
305.54727	0.5
307.04874	0.6
308.05637	1.8
339.64929	0.4
389.16019	0.9
391.15994	0.9
409.17120	0.7
459.11664	0.9
567.21613	0.6
577.15625	12.8
578.15570	1.9
579.16937	12.2
580.17902	2.1
615.22974	4.8
616.16699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73682	0.2
51.73929	0.2
59.01238	0.6
60.35013	0.2
61.10323	0.2
69.03310	0.2
70.02504	0.9
71.01241	0.3
76.68195	0.2
78.95741	0.2
79.95605	2.5
96.95888	100.0
97.95856	0.2
101.36782	0.2
103.11108	0.2
117.03390	0.2
121.02828	0.5
125.02329	0.3
131.37497	0.2
135.04362	0.2
147.04443	0.5
149.02345	2.8
150.03027	0.2
156.43190	0.2
164.04692	2.8
175.03899	0.2
176.98091	0.2
179.07092	0.3
208.03711	0.3
223.06070	5.7
227.15547	0.2
237.64066	0.2
261.15375	0.2
268.03732	0.3
269.04471	3.7
270.04868	0.3
285.04086	1.2
286.04395	0.7
473.10410	0.4
594.79266	0.2
615.15955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13186	0.4
57.03320	1.0
59.01247	7.2
61.98698	100.0
66.41234	0.4
67.01751	0.5
69.03313	1.5
69.72504	1.3
69.72931	2.2
71.01254	5.1
72.54191	0.5
72.99180	0.8
73.02814	1.5
75.00739	2.0
78.95768	0.6
81.03323	0.5
82.48610	0.4
83.01265	1.2
85.02823	3.3
87.00760	1.5
89.02335	1.8
93.03350	1.7
95.01271	2.4
96.95898	1.3
97.02873	0.9
98.08412	0.5
99.00778	1.1
101.02340	1.8
102.05457	0.7
108.02042	2.4
109.02850	1.7
111.00777	1.1
111.04411	0.5
113.02341	2.6
115.00215	0.5
117.03403	0.5
119.03423	0.9
119.04915	1.5
121.02855	0.8
122.05978	0.5
123.00804	1.1
123.04428	1.0
124.01590	1.3
125.02342	4.2
133.02843	0.7
134.03633	2.1
135.00742	0.6
135.02893	1.9
135.04439	0.8
137.02339	2.3
139.00250	0.9
139.03868	0.5
139.11206	0.8
141.04094	0.8
145.02879	1.3
149.02345	1.8
149.06006	0.7
149.99477	1.6
150.03114	0.6
151.00281	0.9
151.03896	1.5
152.01093	2.0
153.01854	1.2
157.08682	0.5
160.01598	0.8
161.02339	1.4
161.04509	0.6
162.02986	0.5
163.03899	1.3
164.04681	1.3
165.01791	0.8
165.05495	0.9
166.05003	0.7
167.03387	2.9
168.00549	3.1
171.10167	0.7
173.04500	1.0
175.03931	1.8
177.01843	0.7
181.04955	0.7
181.12262	0.9
183.10146	2.3
183.13800	0.9
184.10564	0.6
190.02640	1.2
191.05554	1.3
193.04965	2.9
194.05484	0.7
199.13344	1.3
205.04980	1.7
209.11841	0.7
223.06125	1.8
225.11357	0.8
269.04385	1.0
270.05356	1.0
285.04092	2.1
285.07513	1.0
286.04562	0.9
315.07333	0.6
348.65164	0.4
359.16147	0.4
387.20212	1.1
388.20309	0.6
438.17776	0.9
475.15961	0.7
500.29504	0.5
518.81891	0.5
519.09070	0.5
546.27374	0.5
612.79944	0.6
613.32007	1.1
614.16034	0.5
615.23157	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	614.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84372	0.3
59.01245	1.7
59.37774	0.3
61.98697	0.7
63.02270	1.2
65.00192	0.6
69.54129	0.6
69.54532	1.7
71.01245	0.9
79.95644	0.3
83.01266	0.9
85.02824	0.6
88.01589	0.3
89.02296	0.4
93.03337	0.7
93.84634	0.3
96.95885	4.7
97.60316	0.3
98.19730	0.5
105.03366	0.4
105.14005	0.3
107.01266	1.4
108.02065	0.6
109.02822	1.2
110.63871	0.3
112.03928	1.0
119.04891	0.4
121.02806	0.8
122.69022	0.3
123.00687	0.3
123.04380	0.3
124.03946	0.6
125.02364	0.3
132.02014	0.4
133.02835	4.6
134.03578	0.8
135.04462	0.5
137.02304	0.9
147.04372	0.5
149.02339	3.3
150.03114	1.0
151.00253	3.7
151.03918	0.7
152.01035	0.6
153.01819	0.3
159.62720	0.3
160.01500	0.4
161.04501	0.3
163.03793	0.4
164.04680	1.3
165.01796	0.5
165.05428	1.4
166.04977	0.8
173.04498	0.6
175.03915	2.5
176.04288	0.3
177.01848	0.6
191.05531	0.7
193.04979	1.3
194.05464	0.3
195.06598	0.5
197.06029	0.3
199.03934	1.7
201.01878	0.3
205.05014	0.4
211.03828	0.4
213.05486	0.6
217.04913	1.0
223.06100	2.9
227.03514	0.4
229.04964	0.4
235.40552	0.3
239.03716	0.3
241.04959	0.8
243.02969	0.5
256.03690	0.7
257.04678	0.5
267.02979	0.4
284.03247	10.6
285.04013	100.0
286.04352	7.3
297.03824	0.3
327.05045	0.5
366.55014	0.4
447.09274	11.1
447.15497	0.6
448.09668	1.2
482.12509	0.3
489.09753	0.4
501.10248	0.4
516.58209	0.3
566.20673	0.3
614.15063	31.3
615.15308	4.5
615.24713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	60.5
71.01253	41.6
78.95752	9.7
85.02847	14.1
89.02323	12.9
92.11320	10.5
101.02322	39.0
106.74851	9.4
108.97594	8.9
109.02835	11.6
109.06498	14.0
110.03296	9.0
113.02229	11.0
121.80069	9.1
125.09557	10.2
163.03860	10.7
163.11266	11.7
167.95348	10.2
171.10130	100.0
171.11253	10.2
195.13745	9.4
197.11757	48.4
199.09674	39.2
207.10184	63.7
209.11751	84.3
210.12065	19.6
223.13373	47.4
225.11255	48.6
225.33775	11.1
227.12764	20.6
240.93764	10.2
253.09229	55.7
258.61401	9.8
269.04556	21.5
435.18695	28.9
445.21893	12.3
461.20236	19.2
583.80963	12.9
613.26587	23.7
613.79321	11.9
623.79742	13.2
644.45502	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	613.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.5
59.01249	2.3
61.98689	0.7
68.66227	0.3
71.01254	1.5
71.15868	0.9
80.96387	0.4
82.95952	0.4
85.02820	0.7
89.02357	0.5
95.04912	0.4
96.95899	0.5
99.00735	0.6
101.02349	0.7
109.02841	0.7
110.62425	0.4
113.02329	0.5
125.02315	0.7
135.04424	6.0
137.02365	0.6
144.67874	0.4
151.07510	0.6
161.02315	0.4
163.03914	54.0
164.04535	3.7
171.10167	3.3
177.05434	0.6
178.06265	57.0
179.03418	0.6
179.06940	6.0
181.07527	0.4
185.11751	0.9
190.02705	0.5
193.08624	100.0
194.05856	0.8
194.08943	5.5
209.08138	4.4
209.11623	1.7
210.08475	0.4
223.06108	0.7
223.13374	1.4
253.09193	0.5
269.04553	0.8
270.05295	1.2
285.04172	0.6
285.07748	0.5
291.11343	1.1
403.17654	2.4
581.23657	0.5
613.17004	0.5
613.27551	0.8
613.39349	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79653	0.2
52.09586	0.1
59.01251	3.7
59.83243	0.1
63.93576	0.1
69.51221	0.1
71.01251	0.7
71.58755	0.2
73.02833	0.2
73.15298	0.1
85.02823	0.5
87.00751	100.0
88.01087	1.4
89.02312	0.8
93.03329	0.7
96.95876	0.6
101.02343	0.2
109.02827	0.4
111.04416	0.9
113.02355	0.3
121.02811	0.3
125.02311	0.2
137.02361	0.6
139.04019	0.2
147.06450	0.1
149.02344	0.2
150.03006	0.2
150.46136	0.1
151.03914	0.4
152.01060	0.3
153.01884	0.3
161.02393	0.2
163.03870	0.2
163.22589	0.1
165.05472	0.4
166.06229	1.0
168.00522	0.2
175.04008	0.1
177.01808	0.2
179.03400	0.3
181.08611	1.4
182.08923	0.1
191.05499	0.7
195.06602	0.2
203.07047	0.2
211.49887	0.2
230.62323	0.1
267.61414	0.2
269.04578	0.3
387.20404	0.4
391.17758	0.6
439.13971	0.2
471.79315	0.2
507.14319	0.1
525.23615	0.2
613.25403	2.0
614.25452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28488	0.8
57.03305	0.9
59.01249	6.4
62.33170	0.8
65.85995	0.7
67.47523	0.9
68.99679	1.0
69.03305	1.7
69.72800	2.1
69.73211	3.2
71.01237	3.0
72.99155	1.2
73.02820	1.7
75.00748	1.1
81.03314	8.1
83.01252	8.2
85.02820	3.9
87.00723	1.7
88.39533	0.8
93.03340	2.5
95.01274	2.6
95.04904	4.3
96.95873	1.0
97.02824	5.5
99.00700	1.2
99.04362	3.5
101.02336	2.0
101.77568	0.9
107.04890	2.7
108.02045	1.2
109.02830	14.4
111.00792	1.3
111.04391	3.0
113.02311	3.0
117.62084	0.9
119.04907	1.2
121.02839	7.6
121.06438	1.5
123.00754	1.1
123.04399	23.0
125.02326	16.1
127.03975	1.0
133.02856	1.1
135.04408	16.8
137.02316	8.1
137.05960	6.7
139.03906	8.6
141.05492	0.9
145.02800	1.4
147.04456	2.1
149.02339	2.9
149.05943	1.8
150.03149	1.3
151.00215	1.2
151.03886	3.2
153.01761	1.4
153.05469	2.6
155.03398	1.5
159.04420	1.4
161.02385	1.5
161.05998	2.2
163.03915	4.1
164.04643	2.2
165.01825	3.4
165.05447	7.1
166.02594	1.3
167.03398	44.5
168.03760	1.0
175.03911	1.5
177.01872	1.4
177.05505	2.8
179.03442	11.9
179.07036	1.7
180.04121	1.8
181.04951	4.0
185.05943	1.1
187.03952	1.6
189.05420	2.4
190.57718	0.9
191.03362	3.7
191.05467	3.3
193.05003	5.2
195.06528	1.6
197.04430	8.8
203.07002	1.3
205.04987	3.1
207.02809	1.2
207.06525	2.4
209.04489	51.5
210.04799	2.7
219.02867	2.4
219.06459	1.5
221.04434	9.8
223.06055	3.1
233.04399	3.4
235.06038	2.1
239.05554	21.0
245.04465	1.3
245.08104	1.0
249.03906	1.6
251.05548	26.7
263.05414	4.9
265.07162	1.7
269.06686	2.7
275.05557	2.3
281.06586	8.1
287.01920	1.2
287.05286	1.5
289.07324	1.6
293.06683	2.3
301.06946	1.1
311.07797	2.1
331.08228	9.2
332.08563	1.2
343.08041	2.4
355.07748	1.0
361.09186	4.6
371.07791	1.1
373.09235	100.0
374.09564	9.0
385.09174	3.5
387.11353	1.2
403.10291	66.7
404.10617	5.1
415.10333	3.6
433.11374	21.5
434.11676	1.3
445.11710	1.8
457.10883	1.3
475.12457	10.7
476.12527	1.1
486.55270	0.9
493.13464	20.4
494.13715	1.7
505.13638	4.8
523.14716	2.5
595.16797	1.1
613.17865	5.6
613.31830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05074	0.2
57.03292	0.4
59.01255	2.6
59.45421	0.3
61.98697	0.8
63.02259	1.6
64.99921	0.3
65.00211	1.1
69.03330	0.4
70.00712	1.3
71.01256	1.8
72.99184	0.3
75.00735	0.3
83.01283	0.7
85.02843	1.4
87.00761	1.0
89.02318	0.8
93.03331	1.2
95.01270	0.5
96.95897	0.7
97.82185	0.2
98.20431	0.4
100.77134	0.3
101.02322	0.7
102.11919	0.3
105.03336	0.5
106.66872	0.2
107.01288	1.9
108.02063	0.5
109.02845	1.4
111.00784	0.3
112.47113	0.2
113.02326	0.8
119.03452	0.3
121.02843	0.8
121.06483	1.0
122.73390	0.2
124.01526	0.3
125.02347	0.7
129.01837	0.4
133.02855	5.8
134.03584	0.8
135.00789	0.3
135.04445	0.4
135.08076	0.4
137.02348	2.1
139.03847	0.3
143.08643	0.3
146.50964	0.2
149.02351	2.5
149.99507	0.3
150.03093	0.5
151.00276	4.2
151.03922	0.5
152.01094	0.4
153.01828	0.5
159.04424	0.3
160.01596	0.4
161.02327	0.3
161.04517	0.3
164.04712	0.4
165.05504	0.4
169.01372	0.4
171.04384	0.4
171.10143	0.4
175.03906	2.6
177.01826	0.7
183.10150	0.5
184.12123	0.3
185.05991	0.7
185.11702	0.6
187.03973	0.5
189.05486	0.3
190.02734	0.5
192.04187	0.3
193.05028	0.7
197.05952	0.3
198.03168	0.3
199.03967	2.2
201.01889	0.7
205.05038	0.7
207.06680	0.5
211.03923	0.7
213.05493	0.4
214.02722	0.4
215.03471	0.4
217.05034	1.6
223.06001	0.4
225.11166	0.3
227.03456	0.8
228.04236	0.4
239.03415	0.5
241.05020	1.0
243.02965	0.8
255.02965	0.8
256.03793	1.7
257.04437	0.6
259.87051	0.3
267.03073	0.6
269.04486	0.8
283.02667	0.4
284.03268	27.5
285.04041	100.0
286.04416	7.4
297.04047	0.9
327.05087	1.1
396.75873	0.3
447.09323	34.4
448.09546	3.6
569.16644	33.7
570.16998	4.8
613.18500	2.1
613.32849	0.7
614.19586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	5.2
58.85007	5.0
59.01241	8.2
65.00175	5.6
68.99691	6.9
69.03313	9.5
69.95280	14.8
69.95676	12.9
71.01254	16.4
75.00762	7.3
81.03326	12.0
83.01261	24.0
85.02822	11.1
87.00755	26.2
93.03352	27.4
97.02829	16.3
99.00741	7.2
107.01283	14.6
107.04885	7.2
109.02818	24.0
111.00771	10.3
111.04401	19.2
113.02307	13.9
117.03318	15.6
121.02818	27.1
123.00777	10.9
123.04404	32.0
125.02328	47.9
133.02837	17.2
134.60138	5.5
135.04387	22.7
137.02321	42.2
139.03908	19.3
146.03299	5.5
147.04454	16.2
149.02281	27.0
151.03865	28.9
153.01874	33.2
153.05464	7.0
161.02328	11.7
163.00259	9.5
163.03891	22.6
164.00978	7.7
164.04683	7.8
165.01820	26.4
166.02600	15.7
167.03407	52.9
173.04433	6.3
175.03877	11.4
177.01874	36.8
177.05455	9.2
178.99826	6.8
179.03479	39.9
180.04150	15.0
181.01295	12.8
183.02863	8.7
189.01891	9.4
191.03424	34.1
191.05492	7.8
193.01312	27.9
193.04936	10.5
195.02975	43.6
197.04543	8.1
197.46698	5.2
203.03357	11.3
205.01350	23.9
205.04971	8.9
206.01917	6.1
207.02919	50.0
209.04504	82.3
210.05064	5.9
215.03198	7.4
217.01306	6.6
219.02922	59.6
220.03510	9.9
221.00836	10.3
223.02452	22.4
223.06061	12.2
225.03984	14.8
231.02876	8.6
233.04475	13.8
234.01540	7.6
235.02414	49.5
237.04092	16.0
239.05551	29.8
241.05115	7.2
247.02444	23.5
249.03999	30.4
251.01866	13.3
253.03613	12.4
265.03510	36.9
267.04886	7.6
269.06607	6.9
271.06113	7.9
273.06165	12.1
277.03598	15.5
279.05154	18.1
283.06039	10.6
285.08112	5.8
291.05078	11.2
293.03201	6.8
295.04648	8.0
297.07587	9.7
298.04630	6.1
307.04767	5.9
309.06299	12.9
311.05487	15.2
313.07523	7.7
323.05078	8.3
325.06113	17.0
327.07550	9.0
328.05692	6.9
339.04922	12.5
341.06528	24.5
345.05972	7.2
353.06638	37.2
357.05609	11.1
369.06192	19.1
371.07846	12.8
383.07458	23.9
385.05847	22.2
387.07263	16.5
399.07230	21.6
413.08365	6.1
415.06610	22.3
419.11737	15.9
429.08804	9.3
433.07425	7.1
443.09866	13.0
445.08157	8.2
447.09528	8.3
457.09830	65.8
458.09329	8.9
459.09531	12.0
461.10809	12.1
463.08746	15.7
473.10764	13.5
475.09070	39.8
476.10730	20.6
477.10168	7.0
489.10129	11.8
493.10056	31.2
493.93414	8.6
505.09628	31.9
506.10544	11.1
523.10767	11.9
563.13989	100.0
564.14581	20.1
579.13647	48.5
580.13745	10.1
595.13037	22.6
596.13678	25.1
613.13837	90.0
614.14441	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	613.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
63.02277	0.6
63.37784	0.2
65.00201	0.3
65.25452	0.2
76.79597	0.3
77.87292	0.2
92.45222	0.2
93.03306	0.4
98.20621	0.7
105.94230	0.2
107.01270	0.7
109.63988	0.2
117.03355	1.7
125.02387	0.3
135.27510	0.2
149.02382	1.2
151.00235	0.7
151.03908	0.2
153.74037	0.2
159.04402	1.0
161.02365	0.6
169.06438	0.4
173.04509	0.2
181.06586	0.2
183.04420	0.3
191.05573	0.5
197.06041	0.4
201.05457	0.4
225.05464	0.9
227.03249	0.4
230.50935	0.3
240.04161	0.3
268.03824	2.7
269.04535	100.0
270.01898	0.4
270.04880	8.7
429.87784	0.3
452.63177	0.3
478.63074	0.2
507.56644	0.3
577.15594	16.6
578.15906	2.4
613.18707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86037	3.3
59.01246	44.6
61.48874	4.4
61.98693	11.2
69.82389	22.1
71.01245	15.3
75.00746	5.5
85.02821	8.0
96.95914	9.2
101.02332	6.9
108.02023	4.2
109.02834	12.9
113.02303	12.0
121.02844	34.7
125.02303	8.4
127.97342	3.8
134.03612	4.1
135.04422	4.5
153.09100	6.7
160.01526	8.4
171.10165	17.8
175.03882	4.8
183.13835	8.6
190.02693	4.8
193.04993	7.6
197.11798	6.8
205.12280	6.1
209.11812	12.0
223.13371	16.9
234.03117	3.7
239.03044	3.9
253.09053	4.8
267.02917	15.6
269.04474	8.9
279.02866	4.7
283.02548	7.6
284.03290	13.3
285.03842	5.0
291.11374	4.8
293.00699	4.9
294.19687	4.1
295.02533	35.3
297.03958	4.8
299.05682	14.5
305.04440	5.5
315.02692	3.9
317.04800	5.4
318.01700	4.0
319.02209	5.8
325.07062	36.4
326.07541	4.8
329.04465	8.3
335.02051	4.3
347.01947	12.8
356.03101	4.2
357.03806	5.6
367.17548	13.9
375.01230	5.8
385.03302	6.3
389.02872	8.0
391.00671	7.4
406.03281	5.5
432.04422	4.7
434.02899	11.1
449.05185	25.5
451.34338	7.0
455.07388	4.1
464.07413	100.0
465.07983	15.2
467.07483	6.6
479.07663	8.4
497.12671	5.6
504.10297	5.1
507.07205	6.2
511.10129	8.7
522.07446	3.4
537.11743	10.7
539.09650	17.5
553.11267	16.7
554.12006	13.8
555.12531	4.7
566.08771	4.2
569.14490	8.9
581.10767	6.4
583.07617	4.3
598.11084	5.4
607.33691	3.8
613.13434	32.1
613.40027	9.0
614.13776	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	612.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04320	0.2
59.01247	2.2
60.99178	0.3
61.98712	0.6
63.02268	1.4
63.16637	0.2
65.00189	1.0
69.03336	0.3
70.42603	0.4
70.42973	0.4
71.01258	1.5
72.99178	0.4
73.02838	0.5
75.00766	0.8
76.91990	0.2
81.03400	0.2
83.01279	0.7
85.02818	1.2
87.00774	0.5
88.98670	1.7
89.02341	0.8
93.03327	1.4
96.95905	0.5
99.00772	0.4
99.04375	0.2
101.02341	0.5
105.03377	0.5
107.01279	1.9
107.82015	0.2
108.02058	0.3
109.02856	1.5
110.02370	0.5
111.00788	0.2
112.22463	0.2
112.31072	0.2
113.02350	0.6
116.05025	0.3
119.04947	0.5
121.02826	1.5
123.00810	0.3
123.03114	0.2
123.04422	0.4
124.01511	0.3
125.02362	0.8
129.01819	0.2
133.02840	5.0
133.03796	0.3
134.03633	0.5
135.00810	0.6
135.04434	0.7
136.03958	0.8
137.02356	1.2
138.05486	0.9
145.02931	0.2
146.02345	0.3
147.04453	0.4
149.01102	0.5
149.02333	3.0
150.03114	0.3
151.00272	4.3
151.03934	0.4
152.01016	0.6
159.03130	0.2
160.03947	9.8
161.02315	0.5
161.04396	0.3
161.06015	0.2
163.03978	0.5
164.03442	3.4
164.04718	1.4
165.01912	0.3
165.05334	0.6
167.03404	0.4
167.10709	0.3
169.01405	0.4
171.04472	0.3
173.04509	0.5
175.00322	0.9
175.03903	2.4
177.01936	0.6
179.03426	0.4
179.07059	0.3
181.05009	0.3
183.04617	0.2
185.06050	0.5
187.03813	0.3
189.05521	0.4
190.02654	2.6
191.03040	0.9
191.05530	0.8
193.05020	0.5
195.06416	0.2
197.06096	0.2
198.03145	0.4
199.03928	1.9
201.01881	0.7
204.02893	0.3
205.05005	2.1
206.05356	0.5
211.03961	0.4
213.05490	0.5
213.14969	0.2
214.05687	0.2
215.03549	0.5
217.05020	1.0
223.04097	0.4
223.06071	2.4
224.06456	0.6
227.03505	0.3
239.03426	0.3
240.04266	0.3
241.04970	0.8
243.02937	0.6
249.06062	0.3
255.02957	0.4
256.03683	0.6
257.04523	0.5
265.07129	0.2
267.02945	0.2
267.07214	0.4
269.04556	0.6
283.02435	0.3
284.03265	10.0
285.04022	100.0
286.04370	6.2
297.03845	0.2
299.05600	0.4
311.01965	0.2
311.05673	0.3
327.05084	0.5
366.08133	0.6
415.14066	0.3
429.08078	0.3
447.09286	6.6
448.09491	0.7
501.10632	0.3
568.14459	0.5
569.12921	1.1
611.25616	1.1
612.13373	22.7
613.13776	3.0
613.22528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45525	1.0
57.03322	8.6
59.01242	24.0
59.01532	1.5
61.98701	3.1
65.09909	0.9
67.01743	0.8
68.32766	1.0
69.03325	2.1
69.50285	7.9
71.01251	19.7
71.01606	1.4
73.02825	5.0
75.00746	1.4
78.95780	1.6
80.96407	3.4
82.95981	1.1
83.01278	2.1
83.04906	2.1
83.59673	0.9
85.02808	11.4
87.00755	2.9
89.02312	7.8
93.03359	2.4
94.97989	0.9
95.01283	3.1
95.04935	1.7
96.95871	1.5
97.02818	1.5
97.06479	2.4
99.00799	2.2
101.02319	9.5
109.02840	1.4
109.06519	1.1
111.08067	3.4
113.02322	17.7
113.03061	1.4
119.03423	1.3
121.02841	4.2
123.08060	2.7
125.02373	2.5
128.03442	1.4
133.02907	1.1
134.03664	1.7
135.04431	4.9
135.08092	1.5
137.02370	2.4
143.03400	1.2
143.04469	1.1
147.04485	1.4
149.02391	1.9
151.00322	1.0
151.07535	8.1
152.99605	1.7
153.01845	1.8
160.00523	1.1
161.02393	1.3
161.04445	7.1
161.09605	2.5
163.07568	6.7
163.11186	0.9
165.07910	0.9
165.09105	4.4
165.12758	39.0
166.13103	1.9
167.03355	1.5
173.04501	1.0
175.03976	1.0
177.09187	3.4
179.05595	1.8
179.10663	5.1
183.13815	100.0
184.14194	5.5
188.08388	3.2
190.02693	1.8
191.05579	1.6
191.10751	1.9
193.04994	1.2
195.13918	1.5
197.15376	6.3
203.10690	20.4
204.11156	1.7
205.05090	1.7
207.13910	3.2
209.11766	9.0
213.52222	0.9
221.09595	1.4
221.11763	25.1
223.06125	2.0
225.00809	1.0
225.14995	4.0
227.12825	81.1
228.13220	4.3
241.14479	1.2
251.12956	4.0
269.13837	8.1
285.04169	1.5
293.14322	1.3
299.14935	1.4
306.07660	1.5
329.16275	1.7
371.16974	1.5
383.17337	2.3
389.18195	6.9
390.18488	1.3
397.13229	1.3
419.14774	1.4
423.05795	0.9
449.32809	1.1
456.90619	0.9
593.29626	14.8
593.38538	1.5
594.30634	2.3
611.30908	62.6
612.31256	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	611.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.4
59.01237	5.3
61.02176	1.3
62.19944	1.4
71.01245	4.3
78.95768	16.6
79.01758	4.1
79.95610	3.0
88.77555	1.4
96.95887	100.0
96.96819	26.1
98.02367	3.5
98.20557	2.8
118.96487	3.0
133.71318	1.3
141.05435	2.0
149.05988	3.2
150.03093	1.7
193.05038	2.9
225.07617	1.7
253.12288	5.9
277.21671	15.3
278.22406	1.6
291.04034	3.4
297.11319	53.9
297.14444	1.9
298.11588	4.4
313.10733	8.1
319.05917	1.6
333.05038	2.7
351.06149	7.3
408.89481	1.5
444.16681	1.5
565.55383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04497	0.7
56.56464	0.8
59.01245	2.2
61.28379	0.7
69.32911	8.0
71.01241	2.9
78.95779	27.4
79.95602	3.3
83.29258	0.8
95.85020	0.7
96.95885	100.0
96.96839	46.5
98.02357	3.8
98.90544	2.2
118.96500	2.5
127.51234	0.8
137.76689	0.8
146.96042	0.8
154.75098	0.8
160.97566	1.6
165.28801	0.7
189.00690	2.4
193.06374	0.8
225.11211	1.6
227.12680	0.8
251.51591	0.8
253.09317	2.3
277.21707	11.2
278.21860	0.8
291.04044	3.8
309.84244	0.8
311.22375	1.3
333.05142	2.3
351.06058	10.9
422.19385	0.8
448.48697	0.7
551.25586	2.9
596.41461	0.8
611.37726	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	611.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.3
59.01251	100.0
60.01577	1.6
60.99167	2.3
61.98693	4.7
66.50068	1.0
66.72906	1.0
69.03326	4.4
71.01252	14.1
71.04896	1.8
72.99187	5.9
73.02810	2.5
75.00742	2.5
83.01251	2.8
85.02819	8.0
85.08808	1.1
87.00737	2.9
88.98683	17.0
89.02328	7.9
93.03323	4.0
95.01270	2.4
96.95893	3.3
97.02831	3.0
99.00726	2.7
99.04414	1.0
101.02325	8.9
104.52326	1.1
107.01292	1.3
107.04902	1.4
108.02076	5.8
109.02849	3.7
109.06500	1.0
113.02319	7.4
113.86594	1.0
117.03378	1.1
119.03422	1.4
119.04926	2.3
121.02844	4.8
122.03562	1.0
123.04421	1.4
125.02354	8.1
125.84768	1.0
129.01877	1.3
130.08621	1.0
130.85300	1.1
133.02832	1.2
133.10172	1.2
134.03609	2.8
135.00781	4.4
135.04381	3.0
137.02376	5.7
137.09558	1.1
139.00311	1.5
143.03416	1.2
144.20998	0.9
145.02814	3.2
147.04399	1.6
149.02359	16.1
150.03133	9.1
151.00275	4.1
151.03883	1.2
152.01073	11.1
152.11592	0.9
153.01807	4.4
160.01598	2.9
161.02341	2.8
161.04430	2.4
163.03905	4.5
163.11096	1.1
164.04703	7.3
165.01788	1.9
165.05489	16.0
167.03319	1.5
173.04468	2.4
175.00227	2.8
175.02426	1.0
175.03912	3.1
176.00955	2.8
176.04404	1.1
177.01712	1.6
179.03416	2.6
179.06950	1.9
181.08727	1.4
183.13744	0.9
190.02614	5.3
191.03352	5.1
191.05504	2.6
191.07166	0.9
193.04999	2.4
193.08559	1.7
195.06560	19.0
195.09875	1.1
196.06894	1.7
197.06042	1.1
197.11748	1.6
205.05040	5.5
206.05281	1.3
223.06068	6.0
223.09752	1.1
223.13388	5.4
224.06294	1.7
224.13748	2.9
227.12898	1.2
242.05795	3.2
242.14734	1.2
243.06609	10.5
243.12480	1.4
269.04465	1.6
284.03299	1.8
285.03952	5.5
286.04272	2.3
287.04929	1.2
312.74045	1.3
317.67374	1.0
326.11636	3.0
341.13934	20.5
342.14270	1.5
355.84818	1.1
386.18707	1.7
389.16116	6.0
403.19788	11.8
404.20026	18.4
405.11951	2.0
405.20319	30.6
406.20541	2.0
415.15515	1.2
443.11951	2.8
551.17450	8.7
610.35791	1.2
611.25989	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	611.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.2
57.03328	4.3
59.01247	11.1
60.92197	1.1
65.03829	1.9
67.01754	1.4
67.30207	1.2
69.03342	3.7
71.01257	15.4
71.58519	1.5
72.99196	4.4
73.02830	7.0
75.00756	2.3
81.03342	2.8
83.01249	7.4
85.02826	10.3
86.32248	1.2
87.00751	91.8
89.02340	4.5
93.03370	4.4
95.01248	1.5
96.95920	4.4
97.02850	4.2
99.00765	10.6
100.01573	2.5
100.94753	1.2
101.02329	6.4
107.01286	1.4
109.02838	9.9
109.99969	1.7
111.00765	48.1
111.04416	1.6
112.98712	1.7
113.02345	3.2
115.00329	1.6
117.01846	1.3
119.04958	2.8
121.02867	4.0
122.12235	1.1
123.00797	5.2
123.04482	1.6
124.01609	1.6
125.02342	6.8
127.03925	2.6
129.01807	6.0
131.03433	2.1
133.02882	3.7
134.03607	1.6
135.04414	4.4
137.02374	5.5
138.03125	4.6
139.03891	1.1
147.02913	4.7
149.02328	13.1
149.99536	1.6
150.03108	1.5
151.00305	3.2
151.03955	4.0
152.01089	1.7
153.01881	4.3
153.05487	4.4
155.10762	1.4
161.02361	20.6
162.03000	1.3
163.03954	4.6
164.04697	26.0
165.01855	3.0
165.05460	3.7
166.02652	5.0
166.06221	2.3
167.03453	2.9
168.00615	2.4
168.04239	1.5
169.05038	1.4
173.00963	1.9
173.04474	5.1
175.00322	1.7
175.03955	3.9
176.04681	15.8
177.01833	5.8
177.05562	2.1
178.02647	1.6
178.06288	2.3
179.03439	30.3
179.07051	32.3
180.04028	2.0
181.04984	7.0
189.01903	1.8
190.02608	8.2
191.01964	2.6
191.03627	6.5
191.05580	7.4
191.07129	6.0
192.04237	2.4
193.01399	3.4
193.05014	4.1
193.08673	3.2
194.05766	39.2
195.06349	3.6
202.02769	1.5
203.03508	2.9
205.01646	1.3
205.05034	13.1
206.02069	1.4
206.05719	6.0
207.02968	2.6
208.03766	2.3
209.08128	56.6
210.08540	3.0
210.33646	1.3
219.03046	4.8
219.06654	5.6
220.03732	3.4
220.07428	2.1
221.04582	1.7
221.08125	6.4
222.05415	3.5
223.06137	9.0
231.03014	1.9
233.04558	2.0
234.01804	1.2
234.05287	6.5
235.06084	3.4
236.06821	1.5
237.07581	6.0
246.05307	3.5
247.06123	4.2
249.04106	4.8
249.07736	13.3
250.04781	2.8
261.07718	2.3
263.05463	1.7
264.06369	26.6
265.07138	24.9
265.09897	1.6
265.90366	1.4
267.75107	1.1
276.06516	1.8
279.08728	17.2
284.03296	3.4
285.03922	11.0
286.04303	10.0
287.04785	5.2
289.82361	1.2
291.08893	4.6
299.73245	1.3
303.05597	1.3
303.08823	3.5
313.05716	1.9
337.09265	10.9
400.10220	1.9
415.11258	1.2
444.52216	1.3
447.09344	2.6
448.09827	3.7
449.09787	11.5
475.16089	94.5
476.16214	10.1
499.83426	1.3
501.18082	2.1
535.18201	6.2
567.22449	1.6
576.69983	1.4
593.18433	7.9
605.23584	1.6
611.20044	100.0
611.28693	5.7
612.20435	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	611.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25242	2.9
55.01736	2.8
57.01844	2.4
57.03300	3.2
59.01237	6.9
59.40250	2.3
63.25503	2.7
65.00204	3.0
71.01244	12.5
71.58648	5.0
73.02819	7.1
83.01273	5.0
85.02833	6.9
87.00753	100.0
96.96018	3.1
97.02808	5.7
99.00764	7.3
101.02348	6.4
107.01285	3.6
109.02830	8.3
111.00767	20.9
112.98692	4.2
123.00772	11.2
125.02330	8.8
133.02847	3.2
135.04431	3.4
137.02309	2.9
138.03090	2.5
149.02350	7.7
151.00307	13.9
151.04031	3.0
153.01814	8.8
153.05475	4.8
161.02327	14.5
163.00267	3.1
163.03909	10.2
164.04662	9.8
166.02644	7.1
168.00533	3.0
173.00861	6.1
173.04472	3.1
175.03934	3.5
176.04732	7.0
177.01862	3.9
178.06328	6.8
178.99834	5.1
179.03433	13.8
179.07068	9.4
181.04994	6.1
184.29433	2.7
186.48732	2.7
190.02621	3.7
191.03429	16.5
191.05397	5.4
191.07072	4.3
192.04198	4.4
193.01358	5.4
193.08592	8.9
194.05806	13.7
203.03484	3.1
205.05034	9.0
206.05769	11.0
209.08139	22.6
219.02948	4.7
219.06593	3.1
221.08142	52.8
234.05254	4.1
235.06001	3.1
237.07474	3.5
243.02837	4.0
246.05261	3.9
247.02576	4.1
249.07693	5.0
255.02998	6.7
256.03311	5.8
257.03677	3.1
261.04041	5.2
262.04886	9.4
264.06378	9.2
265.07068	10.2
271.02539	15.5
272.02878	10.2
273.03110	10.9
276.06403	7.2
277.07120	23.2
278.07568	4.2
279.08801	6.4
284.03043	4.2
285.03998	6.5
291.08600	5.0
300.02771	30.6
301.03397	51.3
302.03537	46.3
303.04132	29.2
317.03156	4.9
337.09369	42.8
338.09402	4.3
475.09784	3.6
475.16113	42.8
476.16431	4.8
487.16034	11.1
505.17273	7.3
547.18359	6.4
593.19177	6.4
611.15405	82.0
612.16010	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	611.1616
Annotation	Flavoplatycoside
Peak:m/z	Relative Intensity
57.03329	8.5
65.00196	3.6
69.24028	1.0
69.94639	5.6
71.01283	1.7
78.82816	1.0
81.03344	1.1
83.01250	5.1
85.02834	1.3
93.03352	2.4
95.01237	1.4
95.27170	1.0
107.01252	8.2
109.02839	3.9
121.02834	2.2
123.04401	5.3
124.01532	2.6
125.02328	81.4
126.02641	2.7
133.02873	1.7
135.00781	1.4
135.04413	5.1
137.02336	3.5
139.03868	3.0
141.77315	1.0
147.04414	1.4
149.02328	12.0
151.00275	26.3
151.03864	4.3
152.00990	3.6
153.01834	23.7
158.10338	1.0
161.02307	2.7
163.00252	7.2
165.01860	1.3
166.91930	1.1
167.03371	2.6
169.01320	2.2
171.04353	1.4
173.02321	1.3
174.03098	1.4
175.00311	1.2
175.03905	13.5
176.01054	3.1
177.01855	19.6
178.99782	11.0
181.01375	1.8
188.04826	1.3
189.05443	4.7
191.03464	1.9
199.03949	6.1
201.01877	2.4
209.04535	1.8
213.05402	1.7
216.04001	1.4
217.05000	7.4
235.02498	1.9
239.05644	1.9
241.04965	6.4
253.18137	1.1
257.04425	1.7
259.06046	5.0
261.22247	1.1
275.05591	10.4
285.04031	74.0
286.04367	4.1
299.05557	2.5
303.05090	100.0
304.05313	7.6
371.07751	3.6
379.15591	1.1
401.08707	3.6
459.11462	1.3
461.12839	2.4
487.10712	4.0
488.11642	1.3
491.11658	1.8
583.16895	4.3
584.17230	1.4
593.14886	3.0
611.16022	22.8
612.16302	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	609.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34750	0.4
59.01238	1.5
61.98690	0.4
64.39636	0.4
64.98161	0.5
65.58055	0.4
68.32033	0.4
69.03311	0.7
71.01243	1.1
71.58115	0.7
78.95777	0.6
93.03281	0.5
95.04899	35.7
96.05218	0.9
109.06451	0.5
110.03619	0.4
125.09618	0.5
150.02876	1.5
163.11143	0.5
164.44821	0.5
167.10623	0.5
171.10172	0.7
179.14323	1.0
181.12268	0.6
183.13745	0.7
189.05276	1.4
195.13823	10.0
196.14386	0.7
197.11778	0.9
205.12263	1.0
207.10120	0.5
211.13335	2.2
223.13342	7.4
224.13773	0.5
228.13562	0.9
243.12393	0.7
246.12314	13.3
247.12672	0.8
256.13214	1.1
265.21469	0.5
275.20279	4.8
276.66971	0.5
278.11334	70.6
279.11758	3.4
280.11868	0.6
293.21210	100.0
294.21533	8.9
300.02643	0.6
315.19385	25.0
316.19720	2.9
471.26120	0.6
539.32208	0.5
572.31934	4.3
573.32446	1.6
609.14673	0.8
609.33447	0.6
609.41681	10.2
610.41510	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
57.38241	0.2
59.01251	3.4
60.99181	0.5
61.98706	2.7
63.02262	1.9
65.00195	12.1
66.14277	0.2
69.03336	0.4
69.71661	1.3
69.72080	0.4
71.01254	2.1
72.99195	0.6
73.02825	0.4
75.00752	0.6
81.03333	0.3
83.01260	6.1
83.01766	0.3
84.29115	0.2
85.02808	1.8
87.00761	0.8
88.98686	2.7
89.02326	0.9
93.03326	1.1
94.86463	0.2
95.01282	0.4
96.95900	0.8
97.02850	0.2
97.75392	0.2
98.20499	0.2
99.00735	0.5
101.02321	1.0
104.54559	0.2
107.01273	19.7
107.04910	0.4
108.02126	0.4
109.02845	2.1
109.32694	0.2
113.02283	1.4
114.31699	0.2
117.03333	0.4
119.03381	0.2
119.04944	0.6
121.02854	0.8
123.00757	0.4
123.04379	0.6
124.01517	0.3
125.02343	8.5
128.33191	0.2
133.02867	2.6
134.03687	1.4
135.04416	69.0
136.01582	0.5
136.04781	2.8
137.02362	1.1
143.03424	0.3
145.02780	0.3
149.02332	1.4
149.05969	0.2
150.03140	0.5
151.00275	100.0
152.00609	3.6
153.01846	0.9
155.03439	0.3
159.04399	0.4
160.01572	0.5
161.02348	8.3
161.04408	0.4
162.02756	0.3
163.03908	0.7
164.04715	0.9
165.01854	1.3
165.05389	0.3
167.03375	0.5
169.01355	3.1
173.04468	0.9
175.00270	0.7
175.02446	0.2
175.03931	0.9
177.01857	3.1
177.05502	0.4
179.03380	1.1
179.07101	0.3
190.02640	2.1
191.03189	0.3
191.05536	1.0
193.04961	0.6
201.05569	0.3
203.03401	0.8
205.05048	1.6
211.13258	0.3
223.06088	1.6
243.06584	0.4
249.06114	0.5
267.06259	0.2
269.04523	1.4
284.03387	0.3
285.04074	2.1
286.04315	0.4
287.05615	70.3
288.05951	4.3
323.07748	2.9
353.08752	0.3
405.21530	0.4
431.09814	0.6
449.10788	2.0
479.88715	0.3
501.10071	0.3
506.34146	0.4
549.18420	0.2
569.32147	0.3
611.13947	22.5
612.14392	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	609.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05194	0.5
51.47313	0.4
55.01761	0.5
57.03322	3.3
59.00945	0.8
59.01242	12.0
67.01741	0.7
68.99681	1.1
69.03321	1.6
71.01250	10.7
71.06509	0.8
71.06854	1.0
72.99177	3.2
73.02808	1.4
75.00742	13.3
81.03358	0.5
83.01247	1.0
85.02818	13.9
87.00736	4.6
89.02321	2.9
93.03298	0.6
95.01257	3.1
95.21995	0.5
99.00751	5.8
101.02324	0.8
103.00247	1.6
105.15886	0.5
111.86174	0.5
113.02325	13.8
115.00230	1.9
117.01811	2.2
127.11166	0.6
129.01840	1.5
141.12802	0.7
153.72128	0.5
161.04401	0.6
173.12941	0.4
175.02357	1.4
189.03922	0.6
191.05563	0.5
193.05154	0.6
231.05035	1.0
249.06131	8.6
290.48447	0.5
311.22116	0.6
311.25803	0.8
313.23810	5.6
314.24084	0.7
341.26935	1.8
357.26306	0.7
359.28003	56.7
360.28387	6.1
360.32629	0.8
366.69635	0.6
461.80298	0.6
591.33972	1.0
609.34863	100.0
610.35272	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82408	1.0
55.01751	2.1
57.03319	7.0
58.00458	1.8
59.01249	100.0
60.01576	1.6
61.98695	7.3
67.01762	1.4
68.99644	1.2
69.03323	3.6
69.33504	4.6
69.33929	6.2
71.01252	32.6
72.99182	4.7
73.02820	8.3
75.00747	2.4
75.91461	1.1
78.95739	1.2
83.01263	5.8
84.30076	1.0
85.02814	17.7
85.89443	0.9
87.00735	8.2
87.04385	2.4
88.98689	2.7
89.02309	14.4
91.01754	2.2
93.03333	5.8
95.01269	4.6
96.95901	3.2
97.02834	2.3
98.19759	1.2
99.00765	4.9
101.02315	22.3
108.02059	3.3
109.02834	2.9
111.00764	4.1
113.02322	15.9
113.38025	1.1
117.03336	1.3
119.01273	1.8
119.03388	3.3
119.04921	5.1
121.02853	6.2
122.99257	1.0
123.00786	1.6
123.04414	1.4
124.01561	2.1
125.02349	7.2
129.01782	1.2
131.03450	1.4
132.02026	1.3
133.02890	2.4
134.03613	5.1
135.00780	3.4
135.04407	11.5
137.02333	4.5
137.09644	1.4
138.69086	1.0
141.01872	1.6
141.04114	1.1
141.12843	1.1
143.03392	3.4
147.00752	1.5
147.04401	1.7
149.01212	1.6
149.02344	23.2
149.99406	1.3
150.02649	6.9
151.00287	2.2
151.02888	1.9
152.01018	3.5
152.99562	1.5
153.01857	6.5
155.03275	1.1
155.10649	1.8
157.12242	2.1
158.08521	1.2
159.02950	1.6
160.01599	7.2
160.02759	1.6
161.02318	3.1
161.04460	5.0
163.03940	3.7
164.04700	21.4
165.05058	6.8
166.02585	1.3
166.05180	3.1
167.03360	1.8
173.04475	2.0
175.00270	11.2
175.03937	6.1
177.01926	1.1
177.09169	1.6
179.03412	2.3
179.05623	1.4
179.06990	2.5
183.13860	5.4
187.13319	2.4
190.02634	24.8
190.99837	2.6
191.03120	3.4
191.05551	3.0
193.04961	6.8
193.12239	1.8
195.06528	1.2
197.11728	1.1
199.09589	1.2
201.14902	2.2
205.03279	2.3
205.05009	25.3
206.02190	2.8
206.05389	3.9
207.02878	1.4
211.13330	42.3
212.13730	2.8
221.04524	5.7
222.04594	1.2
223.06078	36.0
224.06422	18.5
225.06378	7.0
235.08134	2.9
241.10684	1.2
255.02924	2.9
271.02463	3.6
271.06039	4.6
285.04099	7.9
295.06152	3.1
300.02725	7.9
301.03476	3.7
315.25418	2.2
359.28070	2.8
361.29605	14.3
375.27203	1.2
387.19992	1.5
397.13486	19.9
398.13876	2.7
402.18594	1.7
403.18896	3.0
415.14581	9.3
447.09033	1.5
475.33340	1.3
505.33792	91.2
506.34314	11.5
507.28067	2.4
523.34839	19.5
524.35406	3.4
565.35901	3.9
609.14911	6.0
609.25903	16.5
610.15887	2.0
610.25525	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	609.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52955	0.8
54.33953	0.8
56.05414	0.7
57.03308	1.2
58.00455	1.4
59.01251	21.9
59.44555	0.7
61.98698	1.4
65.76945	0.8
69.03327	1.8
71.01255	20.0
72.99165	2.2
73.02818	3.4
78.95760	1.0
83.01268	1.7
83.04900	1.0
85.02808	4.4
87.00765	4.2
89.02311	15.5
95.01281	1.2
97.02819	3.8
99.00755	1.2
101.02318	15.6
101.02986	0.9
109.02834	1.0
113.02327	7.7
119.03345	4.5
125.02325	5.0
143.03354	1.8
153.09154	1.5
161.04489	4.0
163.11212	1.7
171.10161	3.6
179.05521	3.2
183.13826	9.6
184.14297	0.8
185.11739	1.0
189.76831	0.7
193.12244	2.6
197.11923	0.8
207.10176	1.1
209.11760	15.2
211.13330	100.0
211.87836	0.7
212.13721	4.6
225.11282	1.7
227.12827	2.4
229.71678	1.3
235.08226	5.9
253.09323	1.1
255.03032	1.0
271.02515	1.7
287.07758	1.6
300.02600	2.0
301.03519	1.0
305.08694	1.7
307.19064	3.0
325.20291	2.0
325.86194	0.9
369.29932	0.8
373.23557	1.1
397.13449	44.7
398.13751	2.4
415.14532	20.3
416.15009	1.0
574.19586	0.9
609.13751	1.2
609.27386	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	609.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73832	0.3
57.03312	0.9
59.01242	5.2
61.98701	4.4
63.95029	0.3
63.96107	1.6
69.03314	0.8
70.45042	0.6
70.45430	0.7
71.01243	10.9
72.99146	0.6
73.02815	2.1
75.00732	0.6
78.95776	0.7
78.98456	7.0
79.95602	12.1
80.96384	70.6
81.03336	0.9
83.01260	0.6
85.02821	3.9
87.00745	3.3
88.99157	0.3
89.02312	1.1
91.03864	0.4
93.03323	0.9
94.97953	16.0
95.01279	0.8
96.95908	1.8
96.96418	0.3
97.02811	2.0
98.01766	0.3
99.00748	0.9
99.04382	0.4
101.02315	4.2
106.97952	3.1
108.02055	0.4
109.02802	0.5
111.08063	0.4
113.02339	1.5
119.03372	0.3
122.97469	3.2
125.02329	3.6
127.03873	0.9
133.02827	0.8
134.97455	5.5
135.04430	0.8
136.99014	1.8
137.02338	1.6
148.99042	6.1
149.02403	0.3
151.00272	0.4
152.01080	0.4
152.98520	5.9
160.01501	0.6
161.02332	3.2
161.04425	0.5
162.02687	0.3
164.98534	13.1
167.00085	0.9
175.03763	0.5
179.03366	0.8
190.02599	0.5
197.11758	1.3
205.05002	0.5
206.99611	3.0
209.11781	0.6
211.13321	1.4
223.06178	0.3
225.00676	16.9
226.01019	0.3
255.02950	0.4
270.05325	2.5
271.02527	1.2
285.04132	1.1
285.07648	1.6
299.04401	3.5
300.02750	1.4
301.03372	0.6
309.20731	0.3
323.07675	2.8
397.13354	0.4
511.18472	0.8
609.25757	100.0
610.26093	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	609.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	7.4
61.98692	3.6
63.96106	1.0
69.03302	1.1
69.29894	0.7
71.01246	12.6
72.99141	1.0
73.02807	2.2
76.09307	0.7
78.95770	2.5
78.98452	4.8
79.95600	16.8
80.96386	68.1
81.03332	1.5
83.01249	0.9
85.02814	5.0
87.00727	4.0
89.02318	3.6
91.87597	0.7
94.97959	16.6
96.95873	2.0
97.02818	2.3
98.19798	1.4
99.00717	1.3
101.02312	5.9
101.38638	0.8
106.97943	2.9
109.02799	0.9
113.02317	2.0
119.03374	1.3
122.97434	3.2
125.02330	4.6
134.97478	4.2
135.90312	0.8
136.99060	1.8
143.03380	1.2
146.97470	0.9
148.99057	6.5
152.98486	6.1
152.99396	0.7
161.04453	1.6
164.98547	12.1
172.74879	0.8
179.14340	0.7
183.13788	1.1
205.12267	0.8
206.99623	3.5
207.56662	0.7
209.11661	1.5
211.13335	19.1
212.13704	1.0
223.13367	2.3
225.00684	25.9
225.11194	1.2
229.73756	0.8
235.08235	1.7
271.02521	1.4
299.04379	6.0
300.02744	3.9
301.03436	2.4
311.05765	0.9
397.13480	6.7
415.14667	4.1
523.18500	100.0
524.18823	12.2
591.24792	6.5
592.25330	1.3
609.14575	3.8
609.25897	21.9
610.26392	4.1
637.97211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54866	0.2
53.67816	0.2
55.01752	0.4
57.03326	0.8
58.00465	0.6
59.01249	14.9
61.46471	0.2
61.98703	0.7
62.49097	0.2
69.03323	1.4
71.01250	12.7
71.04884	1.9
72.99189	0.7
73.02827	1.3
75.00765	0.8
79.95657	0.3
83.01250	1.6
85.02818	4.7
87.00772	0.9
88.98665	0.4
89.02311	6.1
93.03354	0.7
95.01288	0.9
99.00769	0.7
101.02313	6.8
109.02872	0.3
109.06454	0.3
111.00771	0.3
111.04379	0.2
113.02327	4.8
113.03054	0.4
117.03251	0.2
119.01285	0.5
119.03385	2.1
119.04955	0.2
121.02836	3.0
123.04414	0.2
123.08031	1.8
125.02371	0.6
127.06660	0.3
132.02078	0.5
133.02826	0.4
134.03622	0.3
135.02809	0.3
135.04417	0.8
137.02351	0.6
137.09610	0.3
139.03894	0.3
141.49704	0.3
143.03355	0.3
147.00769	0.5
147.04424	0.6
148.01578	0.6
149.02335	9.9
149.09598	0.2
150.03137	1.8
151.00246	0.4
151.03949	0.3
152.01074	0.5
153.01869	0.4
153.12776	0.3
160.01552	0.5
161.02249	0.2
161.04422	0.3
163.03918	0.6
163.11229	1.0
164.04686	7.0
165.05383	0.7
167.03349	0.3
175.00273	3.5
175.03917	0.5
176.01070	6.3
177.01622	0.6
177.12749	0.5
179.07085	0.5
179.14331	2.8
190.02614	7.5
191.03409	6.0
192.03883	0.2
193.01523	0.2
193.05011	0.5
197.15482	0.3
205.04996	6.6
205.06808	0.4
206.05612	0.6
208.03613	0.4
209.04541	0.9
221.08186	0.3
223.06087	3.9
223.13333	17.6
224.13759	1.2
237.07796	0.2
241.14426	2.9
265.07208	0.4
271.02512	0.6
284.03381	0.4
285.04077	2.7
286.04440	0.3
300.02777	0.8
301.03494	0.6
359.28116	1.2
385.18643	4.8
403.19690	100.0
404.20041	10.2
413.50357	0.2
418.93152	0.2
433.17041	0.3
505.33746	0.4
575.04517	0.3
609.14575	1.2
609.25433	21.0
609.34460	1.7
610.15900	0.5
610.25818	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	609.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.8
58.97914	0.9
59.01246	13.3
65.00208	1.3
69.03337	1.3
69.50751	6.0
69.51160	1.9
71.01246	8.2
73.02814	2.0
75.00735	1.1
78.51635	0.9
82.12629	0.8
83.01227	2.2
85.02827	3.6
87.00754	2.0
89.02316	4.8
91.01773	5.1
93.03336	2.0
96.95896	0.9
98.20486	2.0
99.00751	1.6
100.01039	0.9
101.02322	3.3
107.04927	1.4
108.02051	4.5
109.02860	2.8
111.07811	0.9
113.02306	4.4
119.01270	6.5
119.04886	1.1
121.02835	4.8
123.00794	1.9
124.03896	0.9
125.02346	1.4
133.04987	1.4
134.03642	2.9
135.00769	4.9
135.04391	2.6
137.02399	1.1
147.00758	3.3
147.04459	1.5
149.02339	29.2
150.03000	1.1
151.00278	1.8
152.01073	5.1
153.01833	5.1
155.37337	0.9
160.01656	1.0
163.03847	2.4
164.04698	32.6
165.01823	2.4
165.05147	1.3
173.04454	1.3
174.98775	2.0
175.00279	38.3
175.03960	1.2
176.00725	1.1
176.38521	1.1
177.01921	1.7
179.03435	1.5
179.07033	5.8
181.05022	1.0
183.72299	1.0
189.01930	0.9
190.02632	98.7
191.03050	6.6
191.05476	1.2
205.04993	100.0
206.05394	6.2
208.03726	1.3
211.13306	4.9
223.06059	52.4
224.06430	2.4
241.14439	2.8
243.06601	16.4
271.02487	2.7
285.04019	1.6
300.02585	2.1
301.03391	2.1
301.07104	3.6
307.81979	1.1
397.13287	2.1
403.19608	2.2
405.11871	4.3
505.33792	2.3
513.97498	1.1
536.68677	1.0
565.14929	1.6
609.16895	4.0
609.25464	81.9
610.15771	1.8
610.25623	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03310	0.9
58.00455	0.8
59.01251	14.8
61.98700	1.1
69.03335	1.3
70.27014	0.3
70.27959	0.3
71.01249	13.7
71.04898	1.7
71.07967	0.6
72.85757	0.2
72.99177	1.0
73.02816	1.6
75.00736	0.7
81.84973	0.2
83.01266	1.1
85.02818	4.3
87.00749	0.8
88.98698	0.4
89.02312	7.2
91.01743	0.3
93.03344	0.5
93.96986	0.2
95.01263	1.2
99.00747	0.7
101.02317	7.5
109.02794	0.3
109.06519	0.2
113.02319	4.8
117.03359	0.2
119.01276	0.4
119.03385	2.4
119.04854	0.4
121.02831	2.0
123.08060	1.8
125.02381	0.4
129.01874	0.3
132.02022	0.5
134.03632	0.5
135.04410	0.5
137.02333	0.5
137.09572	0.3
147.00781	0.5
147.04379	0.6
148.01553	0.5
149.02341	10.4
150.03101	1.8
151.11162	0.3
152.01056	0.5
160.01569	0.6
161.02347	0.4
163.03914	0.3
163.11171	1.2
164.04691	6.0
165.01900	0.2
165.05409	0.7
175.00269	2.7
175.03928	0.4
176.01060	5.9
177.01651	0.4
177.12794	0.5
179.07062	0.4
179.14322	2.9
190.02643	7.5
191.03413	6.6
192.03854	0.3
193.01421	0.4
193.04993	0.3
194.02132	0.3
195.13950	0.4
197.15332	0.5
205.03072	0.4
205.05003	6.6
206.05563	0.5
207.02968	0.3
208.03781	0.4
209.04456	1.3
221.08206	0.3
223.06094	3.7
223.13338	19.6
224.06522	0.3
224.13663	1.2
241.14386	2.9
242.14798	0.2
244.55473	0.2
265.07166	0.3
271.02423	0.3
285.04095	1.5
300.02679	0.4
301.03473	0.4
328.60730	0.2
359.28091	0.9
385.18649	4.7
386.19202	0.3
388.47232	0.3
403.19687	100.0
404.20044	8.6
404.24219	0.2
533.91101	0.3
609.15033	0.7
609.25470	20.3
609.34613	1.9
610.25854	3.1
610.35486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47844	0.5
55.01756	0.8
57.03310	1.5
57.03823	0.5
59.01256	20.1
60.01598	0.5
61.98718	1.0
67.01757	0.6
69.03326	1.5
70.99673	1.3
71.01257	15.8
71.04887	2.1
72.99179	1.4
73.02822	2.4
75.00745	1.9
80.96378	0.8
83.01261	2.0
85.02827	7.0
87.00744	1.7
89.02317	8.3
92.98215	0.5
93.03339	1.5
95.01269	1.7
95.04974	0.6
96.95888	1.1
99.00767	1.7
101.02334	8.9
102.16179	0.4
108.02052	1.1
111.04440	0.5
112.03921	0.9
113.02342	7.0
117.03345	0.6
119.01297	0.5
119.03387	2.9
121.02837	1.9
123.08041	1.8
125.02345	1.2
129.01772	0.6
132.02051	0.6
133.02811	0.7
134.03651	0.7
135.04402	0.8
137.02328	0.8
147.00790	0.7
147.04419	1.0
149.02356	9.4
150.03098	2.0
151.00304	0.6
152.01059	0.7
153.01884	0.5
160.01585	1.1
161.02425	0.6
163.03853	0.8
163.11197	0.9
164.03445	0.5
164.04730	6.6
165.05415	1.5
167.03412	0.5
169.01321	0.5
175.00325	2.7
175.03899	1.0
176.01086	6.6
177.01773	0.7
179.07071	0.6
179.14357	2.7
190.02637	8.4
191.03400	6.6
191.05516	2.1
193.04979	0.8
205.03362	0.8
205.05035	6.7
209.04532	1.4
209.11870	0.6
211.13280	1.9
223.06125	3.4
223.13359	17.0
224.13866	0.8
235.56708	0.5
241.14384	2.0
249.06126	0.9
255.03011	2.0
271.02457	3.0
271.05453	0.6
276.89874	0.5
285.04031	1.7
294.25272	0.5
300.02756	2.8
301.03552	1.3
309.08026	0.6
359.27924	1.7
385.18637	4.1
397.13773	0.7
403.19724	100.0
404.20123	10.5
487.85904	0.6
608.33435	0.7
609.14728	2.9
609.25568	20.0
609.34656	4.9
610.16498	1.0
610.26074	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	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47140	0.9
52.74146	0.9
55.65709	1.0
57.03312	0.9
58.62017	0.8
59.01241	3.4
69.66153	1.0
69.70850	5.9
71.01254	3.8
71.21460	0.9
73.02802	1.0
75.00732	2.1
79.01760	1.4
81.03301	1.0
85.02818	3.8
85.59254	0.9
87.00716	1.6
88.30402	1.1
93.03329	5.0
95.01277	1.6
97.02798	1.4
98.19788	1.8
101.02328	1.2
105.61006	0.9
107.01227	1.1
107.04907	1.7
109.02822	4.4
111.00767	1.8
113.98489	0.9
117.03329	4.5
119.04876	2.6
121.02824	2.6
123.00748	1.9
123.04399	2.5
124.01583	1.6
125.02321	3.5
129.01840	1.2
130.04129	1.4
133.02838	6.6
134.03554	1.3
135.00726	2.0
135.04401	3.5
137.02284	4.7
137.05922	1.1
139.03906	1.8
145.02873	1.2
147.04385	1.7
147.69539	1.0
149.02322	3.3
150.03082	1.1
151.00238	4.3
151.03909	2.7
153.01900	1.5
159.04430	1.7
161.02341	3.5
161.04448	1.0
163.00255	3.6
163.03867	3.7
164.00957	1.8
165.01836	4.6
167.03383	2.1
173.02339	1.3
173.04457	3.5
175.03865	3.7
177.01845	4.9
177.05453	1.8
178.02640	1.1
179.03407	4.2
180.00505	2.4
180.79279	1.0
187.03822	1.3
189.01735	1.8
191.03384	3.4
191.05475	4.2
193.01341	2.0
195.02846	2.0
201.01784	1.6
203.03445	2.8
205.01382	3.0
205.05016	2.2
207.02931	3.9
207.04906	2.1
209.06111	1.2
211.03955	1.6
217.04851	1.2
219.02936	4.6
220.03639	1.8
225.05519	1.4
227.03389	2.0
235.02475	1.6
239.07138	1.2
241.05046	2.7
242.05769	1.2
247.02544	1.1
249.03969	4.1
253.05025	3.5
255.02943	3.4
255.06516	1.8
257.04285	1.3
267.06641	1.6
269.04517	3.9
270.05301	2.1
279.04944	1.1
281.04468	7.0
282.04929	1.5
283.06027	4.5
284.03131	3.4
285.04001	6.1
295.06021	2.9
297.04007	6.0
297.07410	2.0
298.04810	22.6
299.05438	7.1
301.03525	16.9
302.03787	2.1
309.04102	1.3
311.05518	4.5
312.06360	3.7
313.03494	9.2
313.07144	7.5
323.05560	1.3
326.04343	5.7
327.04611	9.9
330.03812	2.9
339.04941	5.8
340.05716	1.4
341.06531	2.6
353.06677	3.2
357.05942	1.8
369.06079	22.1
370.06506	2.6
371.07281	1.4
381.06161	2.5
399.07086	12.9
400.07166	2.0
414.62595	1.2
429.08481	2.3
446.08475	10.0
447.09418	4.2
459.09137	4.4
463.89664	1.0
471.09296	2.2
489.10376	80.7
490.10596	10.3
501.10300	1.3
519.11389	8.8
520.10992	1.2
591.13641	4.2
593.15198	1.2
609.14545	100.0
610.14734	11.8
623.21002	1.1
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
53.74049	0.6
59.01234	1.6
65.60269	0.8
70.57833	0.6
71.01253	2.3
71.58316	1.0
81.03357	0.7
83.01257	1.4
83.28309	0.7
85.02827	1.5
87.63272	0.7
93.03303	1.1
107.01305	0.8
109.02836	3.8
111.80560	0.6
119.04945	1.4
121.02834	1.8
123.04434	0.8
125.02347	1.7
132.02049	0.8
133.02838	15.2
134.03644	1.8
135.04399	2.5
137.02324	1.7
149.02330	1.9
149.05966	1.3
151.03891	1.7
159.04384	1.2
161.02379	1.6
161.06004	1.3
163.00381	1.0
163.03926	1.9
165.01903	0.9
167.03432	0.9
173.02333	0.8
173.04459	1.7
175.03902	4.4
177.01822	3.6
177.05489	1.3
179.03421	1.1
179.11322	0.8
187.03963	0.9
189.01721	0.8
189.05478	1.5
191.03589	1.4
191.05602	2.2
199.03983	0.8
201.01894	2.4
203.03447	2.6
205.01289	1.5
205.04956	1.7
213.05501	1.2
215.03357	1.1
217.04948	0.9
225.05525	0.9
227.03401	1.2
229.05171	1.2
233.04480	1.8
235.02284	0.9
241.05125	1.0
245.04468	1.7
255.06453	0.8
257.04401	0.9
266.05539	1.1
267.06616	1.9
269.04453	1.4
271.02649	0.8
283.06082	2.4
284.03201	0.9
285.03952	2.2
293.04446	1.0
295.06015	1.1
297.03949	4.7
297.60294	0.7
298.04794	14.4
299.05548	6.8
309.04004	1.3
310.04797	1.6
311.05569	11.4
312.06342	13.2
313.07095	14.6
314.07458	0.9
323.05560	2.6
324.06586	0.9
325.07153	2.5
327.05048	7.6
328.05505	0.8
339.05054	22.3
340.05286	1.9
341.06616	11.5
344.05194	1.9
351.05066	2.8
353.06598	4.3
357.06100	3.3
367.04419	0.9
369.06110	69.0
370.06558	5.3
371.07425	1.8
381.06131	10.9
382.06256	0.9
383.07578	1.4
384.50714	0.8
399.07172	44.8
400.07578	3.6
411.07187	6.5
413.08655	1.6
425.09146	1.0
429.08151	9.1
435.07053	0.9
441.08017	3.4
447.09567	1.1
459.09402	2.1
471.09219	3.1
489.10352	47.9
490.10815	5.1
501.10193	0.9
519.11395	12.9
573.12891	0.8
591.13647	3.1
609.14532	100.0
610.14807	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	609.1456
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
54.89997	1.9
55.25599	2.4
59.01244	7.1
63.02264	3.4
65.00179	8.9
71.01238	6.2
71.44727	3.5
71.45054	2.7
72.99194	2.5
73.14558	2.0
83.01247	9.5
85.02830	3.6
88.80412	2.0
93.03315	8.9
95.01205	3.1
97.02869	2.4
99.00770	2.8
101.02285	2.9
107.01267	12.9
108.02084	3.2
109.02840	4.8
111.00792	10.3
113.02325	5.2
121.02824	2.3
124.01570	3.4
125.02314	8.4
134.03568	3.2
135.04376	2.9
137.02318	5.9
139.00250	18.0
148.01573	2.5
149.02303	9.5
151.00253	38.3
152.00954	5.3
153.01833	25.7
163.00253	9.4
164.00960	3.1
165.01805	4.5
169.01303	2.6
175.00206	4.3
177.01826	4.0
178.99724	13.7
181.01395	10.7
183.04251	2.4
190.02603	4.2
191.03258	2.6
191.05447	4.4
192.00529	15.7
193.01384	14.9
199.03966	2.4
205.05013	4.0
206.99330	14.4
211.03796	2.8
211.13353	2.6
211.39735	2.5
215.03458	3.1
217.01558	2.9
223.05995	4.4
227.03378	5.5
229.05031	2.6
231.02817	3.4
255.02992	10.5
256.03427	5.3
257.04410	9.6
258.04849	3.0
259.63443	2.4
269.04538	3.0
270.05215	3.9
271.02380	6.1
272.03253	4.9
283.02454	11.1
285.03867	9.3
285.07230	3.4
299.05484	6.6
300.02731	53.3
300.05875	4.4
301.03452	50.6
301.06775	7.6
302.03839	2.9
447.11349	7.9
459.11343	9.9
461.12827	3.3
487.10806	6.1
489.12408	18.2
501.12216	10.7
516.11462	4.1
609.14490	100.0
610.14893	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02237	0.5
64.13723	0.5
65.00179	1.4
68.99352	0.5
83.01267	1.1
91.01760	0.6
107.01263	4.2
108.02044	1.9
109.02821	1.6
121.02827	2.1
135.72510	0.5
142.88036	0.6
148.01576	1.5
151.00261	12.0
163.00243	3.7
164.01056	1.2
171.04437	0.5
175.03944	0.7
178.99779	4.3
187.03958	0.8
190.99969	0.6
192.00647	0.6
199.03952	0.9
211.03905	1.1
215.03448	1.1
216.04254	0.6
226.02576	2.2
227.03365	3.4
243.02917	14.4
244.03439	1.4
245.04562	1.4
254.02184	2.0
255.02945	32.4
256.03336	1.9
271.02441	68.1
272.02960	4.9
299.01965	1.8
300.02719	56.6
301.03455	30.8
302.03842	2.0
343.04553	0.6
393.47504	0.7
609.14532	100.0
610.14825	15.3
631.77008	0.7
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
59.01242	0.9
63.02283	1.1
65.00192	0.6
69.88000	1.6
71.01255	0.9
83.01273	0.7
85.02821	0.7
91.08367	0.3
93.03339	1.1
93.14980	0.3
95.01267	0.3
96.95919	0.3
101.02333	0.3
103.16843	0.3
105.03351	0.4
107.01246	2.1
109.02830	1.2
113.02318	0.3
115.34612	0.3
119.04925	0.7
121.02818	0.8
132.02104	0.4
133.02834	4.5
135.04373	0.8
137.02348	0.5
147.04422	0.3
149.02332	1.9
151.00244	3.7
153.01776	0.3
160.01653	0.5
165.05363	0.4
171.04431	0.3
173.04507	1.6
173.05800	0.4
175.03906	2.3
176.21768	0.3
177.01875	0.7
179.85822	0.3
185.05986	0.6
190.02640	0.3
191.05542	1.7
195.06621	0.3
197.05966	0.4
198.02907	0.3
199.03886	1.6
201.01848	0.6
213.05495	0.7
215.03362	0.5
217.05005	0.9
223.06119	0.4
227.03508	0.3
230.53360	0.3
241.04951	0.4
243.02972	1.0
255.03058	0.7
256.03653	0.9
257.04507	0.6
267.02698	0.4
268.03366	0.3
276.91281	0.3
284.03256	8.6
285.04025	100.0
286.04404	7.2
343.04712	0.3
413.14618	0.4
530.86292	0.3
579.17242	0.4
609.14526	50.4
610.14923	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1457
Annotation	Herbacetin 8-rutinoside
Peak:m/z	Relative Intensity
52.90414	0.8
57.03312	1.3
59.01247	8.6
61.73361	0.7
61.73673	0.6
63.02269	1.2
65.00188	5.3
68.99683	0.8
69.03304	0.8
70.05691	3.7
70.18513	0.7
71.01239	5.2
72.99175	1.9
73.02800	2.6
73.68377	0.7
83.01257	4.0
85.02814	3.1
86.43693	0.7
87.00741	3.3
89.02301	2.1
93.03326	5.0
95.01232	1.8
97.02834	1.0
99.00784	1.0
99.52848	0.7
101.02330	3.0
104.83920	0.7
107.01249	9.2
108.02036	1.9
109.02831	2.5
111.00764	6.7
113.02338	2.1
117.03338	2.5
119.03374	1.2
121.02878	3.4
123.00753	1.8
123.04433	1.2
124.01523	1.6
125.02332	7.8
129.01871	0.9
133.02821	2.1
134.03575	0.9
135.04388	1.8
137.02351	5.5
138.99229	1.4
139.00255	19.4
139.01329	1.0
139.03926	1.9
141.01810	2.2
144.88669	0.7
147.04396	0.9
149.02328	12.3
150.03128	5.2
151.00264	26.6
152.01073	6.2
153.01839	11.1
159.04405	1.5
161.02351	2.9
163.00285	16.8
163.03911	1.9
164.00916	1.1
164.04720	4.6
164.41267	0.8
165.01826	1.8
165.04172	1.0
165.05429	5.7
167.03377	1.1
169.01321	1.7
171.04420	1.3
173.04477	1.0
175.00316	4.7
175.03961	0.9
177.01813	3.0
178.99811	7.0
179.03287	0.9
179.07050	1.2
181.01315	7.9
181.98682	0.7
183.04436	1.1
187.03882	1.7
190.02667	4.2
191.03392	2.9
191.05478	2.9
192.00517	3.5
193.01344	11.0
193.04910	0.9
194.01740	0.8
195.02859	0.9
195.06544	2.4
199.03972	1.2
201.05476	1.8
203.03462	1.2
205.01385	0.9
205.04938	6.2
206.99274	3.8
208.00023	8.0
209.08153	1.9
211.03973	1.8
213.05444	1.0
215.03424	2.5
217.01270	1.1
217.05006	1.4
223.05975	3.9
227.03462	2.2
228.03906	1.0
229.04941	3.2
231.02904	1.8
231.06496	0.8
233.04514	1.6
239.03427	1.4
243.02953	2.3
245.04462	1.5
255.02965	10.3
256.03561	2.1
257.04486	6.7
259.02588	1.0
268.03659	3.6
269.04553	8.7
270.04947	0.9
271.02554	5.9
272.03012	3.0
273.03989	4.2
273.07535	1.1
283.02451	9.2
284.03210	1.9
285.03973	5.8
297.04123	1.0
299.01993	1.6
300.02676	21.8
301.03503	100.0
302.03806	7.8
313.03589	0.9
315.04929	1.2
343.04681	1.4
357.13275	2.9
369.58316	0.8
388.53427	0.7
447.11111	3.7
448.12241	0.9
459.11584	2.7
461.12540	1.0
487.10736	1.7
489.12326	6.0
490.12817	0.9
501.12418	2.7
609.14563	60.7
609.25055	3.9
610.14801	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	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71843	0.2
57.03324	0.2
57.45387	0.2
59.01253	1.3
59.78501	0.2
61.98705	100.0
62.98424	0.2
69.03297	0.2
69.11040	0.2
70.61863	0.6
71.01263	1.4
72.99189	0.2
74.43153	0.2
78.95795	0.3
79.95607	0.2
80.96393	1.4
85.02823	0.5
87.00774	0.2
89.02329	0.5
93.03322	0.3
95.01326	0.2
96.95893	0.3
96.96876	0.2
98.19889	0.2
99.00764	0.4
101.02367	0.5
108.02044	0.3
109.02856	0.2
113.02290	0.4
120.01197	0.2
125.02349	0.4
129.01886	0.2
133.04987	0.2
134.03647	0.3
137.02344	0.4
151.00259	0.2
152.99490	0.3
175.04008	0.5
176.04308	0.3
193.05023	0.3
209.11861	0.6
210.12141	0.4
211.13406	0.5
225.00760	0.3
227.12720	0.2
255.03094	0.5
271.02585	0.6
284.03516	0.3
285.04135	0.4
299.01974	0.2
300.02777	0.7
301.03580	0.2
397.13651	0.2
416.15497	0.2
435.58533	0.2
608.25153	1.9
609.14679	0.7
609.26056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1247
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
55.01755	0.2
55.82919	0.1
56.62252	0.1
57.03325	0.3
59.01247	3.8
61.98705	0.2
63.02258	1.3
65.00166	0.7
67.19669	0.1
69.03323	0.3
71.01247	1.7
72.99165	0.4
73.02814	0.3
75.00739	0.4
83.01258	0.6
84.38087	0.1
85.02816	0.9
87.00743	0.4
89.02303	0.8
93.03328	0.3
95.01281	0.2
96.95890	0.2
97.02828	0.2
98.19752	0.3
99.00754	0.3
101.02327	0.7
105.03336	0.6
106.48071	0.2
107.00718	0.2
107.01284	1.7
108.02032	0.2
109.02829	1.3
111.00779	0.2
113.02318	0.9
119.03348	0.3
119.04926	0.3
121.02802	1.0
123.04451	0.2
124.01551	0.3
125.02304	0.4
129.01822	0.2
132.02109	0.3
133.02838	5.8
134.03609	0.3
135.00760	0.3
135.02924	1.0
135.04390	0.5
137.02304	0.3
139.03932	0.3
140.29395	0.1
143.03351	0.2
145.02831	0.2
147.04346	0.3
149.02338	2.6
151.00262	3.3
151.03902	0.2
152.00908	0.2
153.01842	0.2
157.06461	0.2
160.01501	0.4
161.02357	2.0
163.03879	0.4
164.04691	0.5
169.06508	0.2
170.03633	0.2
171.04390	0.4
173.04443	0.2
175.00275	0.5
175.03917	3.0
176.01073	0.2
176.04120	0.2
177.01834	0.5
179.07022	0.1
181.08640	0.3
183.13858	0.3
185.05984	0.6
189.05516	0.3
190.02620	1.2
191.03331	0.2
191.05528	0.2
193.04964	0.4
193.12378	0.2
197.05937	0.2
197.11719	0.7
198.03020	0.2
199.03917	2.2
201.01926	0.7
205.05009	1.1
206.02254	0.3
211.03897	0.3
211.13312	2.7
213.05545	0.5
215.03403	0.5
217.04961	1.1
221.04507	0.3
222.04721	0.2
223.04034	0.2
223.05995	1.3
229.05087	0.4
229.77539	0.2
235.08185	0.2
240.04128	0.2
241.04953	0.7
241.10768	0.9
241.58330	0.2
242.01851	0.1
243.02939	1.1
255.02942	0.3
257.04431	0.6
267.02884	0.4
271.02512	0.4
284.03284	0.7
285.04016	100.0
286.01144	0.3
286.04367	6.9
287.22250	0.3
300.02551	0.4
301.03568	0.3
301.07013	0.3
323.07593	0.3
367.09903	0.2
397.13571	1.4
401.17984	0.2
403.19638	0.6
415.14618	0.5
447.09515	0.3
488.47873	0.2
505.33820	1.4
523.34930	0.4
523.44922	0.2
537.29205	0.3
609.12463	19.6
609.24390	0.8
610.12781	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	608.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84412	0.2
57.03307	0.3
59.01255	2.8
61.98699	100.0
71.01257	2.9
71.13988	0.3
72.99178	0.3
73.02818	0.7
75.00731	0.3
78.95792	0.6
78.98463	0.6
79.95596	2.7
80.96387	8.1
83.01315	0.3
85.02818	2.0
87.00765	0.4
89.02321	0.8
89.25175	0.2
93.03347	1.1
94.97960	2.3
95.01271	0.4
95.71225	0.2
97.02884	0.3
99.00764	0.6
101.02301	1.4
101.60828	0.2
108.02058	0.4
109.02839	0.4
113.02332	1.2
116.62788	0.2
119.03371	0.3
121.02843	0.3
122.97464	0.4
123.04375	0.3
125.02345	1.0
134.97464	0.6
135.04375	0.4
137.02353	2.5
143.03476	0.3
148.16264	0.3
148.99016	0.7
151.00270	0.3
152.01047	0.4
152.98553	0.8
152.99619	0.4
155.41751	0.2
160.01564	0.3
163.03793	0.3
164.98540	1.9
175.03976	0.5
176.85718	0.3
190.02663	0.4
193.05058	0.2
206.99597	0.5
209.11852	0.3
211.13382	1.0
225.00620	2.5
235.16237	0.3
255.02931	0.4
259.53537	0.3
271.02460	0.6
284.03122	0.3
285.04111	0.4
299.04535	0.3
300.02893	1.0
434.53580	0.2
481.17700	0.4
607.37262	0.7
608.25269	1.2
608.37506	1.9
609.14948	1.0
609.25708	13.2
630.75574	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16579	0.4
55.01766	0.5
57.03326	3.4
58.08371	0.4
59.01247	16.3
60.28142	0.4
61.98689	2.0
67.01747	0.7
68.99694	1.4
69.03325	1.6
69.40218	3.2
71.01252	14.5
72.99171	4.1
73.02827	1.7
74.06295	0.4
75.00744	14.1
80.96381	1.0
83.01267	0.9
85.02821	15.4
86.65832	0.4
87.00748	5.2
89.02318	3.6
90.11526	0.4
93.03330	1.6
95.01263	3.9
96.95898	0.9
97.02844	0.8
97.06474	0.5
99.00748	7.6
101.02319	2.7
103.00248	1.4
109.02831	0.8
111.00710	0.8
112.01607	0.5
113.02333	16.0
114.02657	0.8
115.00246	1.3
115.03930	0.5
117.01830	2.1
123.08051	0.4
125.02324	1.0
125.09586	2.3
129.01799	1.3
134.03601	0.9
137.02328	1.7
143.03363	0.5
149.02322	0.8
157.01308	0.5
160.01607	1.2
175.02396	1.7
175.03932	1.6
183.17465	0.5
185.11671	0.6
190.02615	0.9
193.05046	1.2
197.15361	0.7
201.80757	0.5
205.04872	0.6
209.11751	3.7
231.05099	1.0
249.06107	12.8
250.06302	0.7
267.07236	0.7
267.23242	1.0
299.05615	0.7
309.24347	0.6
311.22235	6.2
327.25351	1.0
339.25360	1.0
357.26443	69.0
358.26736	6.1
397.13437	2.4
415.14459	0.7
547.31012	1.1
589.32349	1.4
607.33331	100.0
608.33667	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	607.2427
Annotation	Tiliasine
Peak:m/z	Relative Intensity
52.64430	0.4
57.03316	0.5
57.20999	0.4
59.01252	3.4
59.26366	0.4
61.98706	3.5
63.96108	0.9
69.03315	1.2
69.83170	2.3
71.01249	9.4
72.99186	0.8
73.02816	2.3
75.00745	0.6
76.16979	0.4
78.85052	0.4
78.95770	3.7
78.98457	7.1
79.95603	16.5
80.96387	77.8
81.03325	1.0
83.01270	0.6
83.04910	0.5
85.02821	3.5
87.00750	3.4
89.02306	1.0
94.97952	16.2
95.01289	0.5
96.95872	1.8
96.96829	0.7
97.02839	1.7
99.00755	1.2
101.02296	3.2
106.97964	3.4
108.02048	0.7
108.23851	0.4
109.02854	0.7
113.02312	1.3
122.97458	3.3
123.04421	0.5
125.02338	2.7
127.03886	0.6
134.97467	5.9
136.99039	1.7
146.97523	0.5
148.99028	7.5
152.01071	1.1
152.98509	6.1
152.99527	2.3
153.01822	0.8
159.16760	0.4
161.04462	0.7
164.98521	12.6
167.00101	0.4
195.13731	0.5
206.99596	2.2
209.11734	2.7
211.13293	1.2
223.06166	0.5
225.00687	15.1
226.00951	0.7
227.12677	0.6
239.00533	0.5
245.19226	0.4
284.03125	0.7
285.03903	0.6
291.19620	1.0
299.04636	2.7
311.22311	0.4
363.12109	1.1
371.06262	0.4
411.73950	0.4
442.42377	0.4
460.70920	0.4
575.26105	1.1
607.24231	100.0
608.24585	16.1
608.34393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74638	1.3
54.06709	1.3
55.01759	2.1
57.03326	4.8
59.01247	100.0
59.11187	1.5
69.03318	2.3
71.01252	28.3
71.45583	1.4
71.47288	1.5
72.99185	2.6
73.02816	8.1
75.00742	2.6
78.95800	1.6
83.01271	7.7
85.02823	14.0
87.00762	3.2
89.02325	4.3
93.03352	4.2
95.01243	3.5
97.02838	1.9
98.19816	3.6
99.00751	6.7
101.02316	15.6
108.02055	5.7
109.02896	2.6
111.08011	1.6
113.02328	14.7
119.03343	1.9
121.02836	2.4
124.01530	3.4
125.02345	3.8
127.11186	3.0
134.03572	2.9
135.04378	1.7
137.02313	11.1
137.09604	3.1
143.03398	3.3
147.00771	2.3
149.02333	13.9
151.00195	1.9
152.01048	5.3
153.01859	1.9
153.09064	1.7
155.10695	4.8
157.12186	1.6
160.01529	2.9
160.04008	1.4
160.88805	1.8
161.04489	3.1
163.00258	1.9
163.03900	2.8
164.04697	11.5
165.27762	1.8
175.00291	3.8
175.03893	5.8
190.02649	8.2
190.99721	4.4
191.03244	2.0
193.04958	5.2
201.14848	4.1
205.05025	7.7
206.02148	8.0
221.04504	11.3
223.06053	21.3
224.06448	3.4
229.72583	2.5
230.15120	1.9
239.05591	4.5
263.05344	1.6
285.04114	2.9
293.04593	7.2
341.27057	1.9
359.28015	11.0
373.12506	1.7
401.18182	1.6
403.17484	4.2
413.08820	5.4
431.09558	2.2
455.29776	1.9
467.29913	2.0
503.19910	3.2
503.32233	94.9
504.32382	10.9
521.33270	30.3
522.33331	3.8
563.33893	3.5
607.24634	5.5
612.64264	2.0
625.82916	1.7
626.65222	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	607.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62299	0.3
55.01744	0.5
57.03328	2.9
58.00465	0.5
59.01254	14.3
61.98694	1.5
65.00188	0.4
67.01759	0.9
68.99690	1.6
69.03310	1.5
71.01259	14.5
71.04889	0.4
72.99178	4.6
73.02816	2.1
75.00750	12.8
78.95798	0.5
79.95629	0.4
80.96384	2.3
81.03335	0.5
83.01249	1.5
83.04922	0.9
85.02829	15.9
85.03352	0.8
87.00754	5.0
89.02325	3.6
93.03342	1.2
94.97980	0.7
95.01275	3.4
95.04910	0.3
96.66632	0.4
96.95884	1.2
97.02820	0.6
98.95450	0.4
99.00762	7.7
101.02326	2.0
103.00245	0.9
108.02053	0.6
109.02837	0.7
111.00748	1.5
112.01550	0.5
113.02335	15.4
114.02643	0.6
115.00247	1.1
115.03841	0.4
115.42159	0.4
117.01850	2.2
119.03404	0.5
121.02834	0.9
125.02322	1.1
129.01814	1.3
132.02060	0.5
133.04927	0.7
134.03615	1.5
135.04401	0.6
137.02325	1.0
139.00270	1.4
143.03442	0.4
145.66061	0.4
149.02368	1.2
151.00291	0.5
151.07492	0.4
152.01004	0.8
153.01865	0.6
157.01289	0.5
160.01593	2.0
161.02333	0.7
161.04494	0.7
163.03903	0.6
164.04662	1.0
164.98573	0.4
165.12770	0.7
166.02611	0.9
171.10141	0.5
173.04568	0.5
175.00179	0.4
175.02374	1.7
175.03900	1.1
176.04129	0.4
179.03110	0.3
180.76309	0.4
181.04990	0.5
183.13757	0.6
189.03975	0.4
190.02606	0.9
193.04988	1.3
199.13336	3.5
205.05098	1.0
209.11769	1.1
223.06075	1.4
225.00667	0.9
231.05026	0.8
249.06140	10.0
250.06459	0.8
269.04663	1.8
270.05008	0.5
284.03223	1.0
285.03964	0.8
286.30392	0.4
297.24368	1.7
299.05511	1.1
309.24210	1.1
325.23810	1.0
327.25424	14.2
328.25662	1.2
339.25336	3.2
355.24826	1.0
357.26462	42.5
358.26816	3.9
359.28070	0.6
401.18161	1.0
403.17770	2.3
547.30920	0.8
576.26459	0.4
580.91248	0.4
589.32397	1.4
607.25409	4.4
607.33356	100.0
608.24860	0.7
608.33685	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	607.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50285	0.8
54.75924	0.9
55.01764	1.1
57.03312	2.6
59.01247	13.8
65.00191	0.9
69.03325	2.4
69.72260	0.7
71.01243	13.3
71.57890	1.3
72.99177	1.8
73.02817	3.2
75.00747	0.9
75.32690	0.9
83.01259	1.6
83.44196	0.7
85.02821	7.2
87.00729	2.4
88.98649	1.1
89.02312	6.9
89.03818	1.2
91.01759	1.6
93.03339	4.3
95.01256	3.2
96.95869	1.7
97.02812	1.4
99.00782	1.9
101.02318	4.6
107.04900	1.2
108.02045	33.6
109.02875	10.3
113.02325	9.4
116.71112	0.8
117.03342	1.2
119.01246	5.1
119.04884	1.9
121.02831	11.4
123.00738	1.3
123.04360	1.4
123.08048	0.8
125.02316	3.8
131.03452	0.9
132.02078	3.8
133.02841	1.7
133.04959	2.4
134.03629	15.2
135.00786	1.0
135.04422	5.0
137.02306	3.5
147.00728	3.2
147.04434	5.6
149.02342	72.6
149.06027	2.1
150.02733	2.4
151.00270	1.2
151.03918	1.3
151.07567	3.9
152.01053	48.9
153.01855	13.0
160.01570	13.9
161.02361	7.6
161.04356	1.7
161.09566	1.5
162.03111	1.8
163.03900	5.0
163.07550	2.5
163.11040	1.0
164.04694	62.5
165.01859	1.9
165.05205	3.2
165.09171	1.0
168.00664	1.1
168.62679	0.8
173.09731	0.9
174.98747	1.8
175.00282	27.8
175.02525	1.2
175.03877	11.1
176.00916	3.2
176.04276	1.2
177.01810	1.1
177.09158	1.1
178.02652	1.3
179.03419	1.7
179.07031	6.4
179.10622	2.0
188.08339	1.0
189.01813	1.3
190.02635	71.1
191.03342	6.9
191.05113	0.9
191.10709	1.7
193.01343	1.5
193.04982	10.0
195.06505	1.7
203.10669	6.3
205.04990	67.3
206.05446	4.8
207.03163	0.9
208.03609	4.2
209.04492	1.7
214.55855	0.9
221.08185	2.7
221.11717	6.7
223.06059	100.0
223.77502	0.8
224.06416	5.7
237.07552	1.5
247.06090	5.3
255.02846	0.9
257.04544	1.7
265.07220	6.6
267.11353	8.4
268.11792	1.1
269.04495	2.5
284.03159	1.9
285.03860	1.5
299.02328	1.1
299.05408	4.3
300.11285	2.0
308.76022	0.8
310.75525	0.8
339.06992	1.0
367.10336	6.5
377.17490	0.9
383.18155	1.8
389.17590	2.0
429.17453	1.2
431.11758	1.9
491.12173	1.1
563.14038	18.4
563.24115	1.6
564.14240	2.2
589.22772	4.9
607.16394	26.9
607.24146	23.9
608.16125	3.8
608.24518	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	607.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09915	0.4
57.03331	1.9
59.01250	7.3
60.88361	0.4
60.99182	0.4
69.03329	0.6
69.64548	0.4
71.01253	8.9
71.38341	0.5
72.99162	0.7
73.02817	1.1
74.66878	0.3
75.00741	0.6
83.01251	0.7
85.02822	4.6
87.00754	0.7
87.03276	0.3
88.98671	6.1
89.02322	4.0
89.03848	0.4
91.01778	1.0
91.05407	0.6
93.03338	3.4
95.01261	1.1
97.02837	0.4
99.00757	1.1
101.02325	2.8
107.04913	0.6
108.02040	4.4
109.02836	2.1
113.02316	7.0
114.02677	0.5
117.03363	1.0
119.01260	3.6
119.03432	0.8
119.04858	0.9
119.19527	0.4
121.02834	8.1
123.00719	0.6
123.04383	0.7
123.08065	1.1
125.02356	1.1
132.02078	1.5
133.02899	0.5
133.04956	0.5
134.03645	4.3
135.04413	2.5
135.08098	0.4
137.02341	4.0
143.03394	0.6
143.26715	0.4
145.48645	0.4
147.00771	2.3
147.04424	4.3
149.02339	56.0
150.02676	2.1
151.03912	1.1
151.07538	2.9
151.99890	0.8
152.01042	7.0
153.01836	3.2
160.01607	2.5
161.02321	1.5
161.04520	1.9
161.05769	0.5
161.09615	0.7
162.03067	1.0
163.03952	2.7
163.07565	1.5
164.04692	52.2
165.01765	1.2
165.04987	1.9
165.09093	0.9
167.03317	0.6
168.07889	1.0
169.05029	0.4
173.02399	0.4
173.04364	0.5
173.09660	0.6
175.00281	23.8
175.03757	2.2
175.51877	0.4
176.00774	1.3
177.01869	0.6
177.05540	0.7
177.09122	0.8
179.03387	0.6
179.05544	0.5
179.07039	5.7
179.10658	1.5
188.08298	0.9
189.01851	1.0
190.02634	55.5
191.03172	2.8
191.05548	0.6
191.10695	1.0
193.01337	0.7
193.04974	1.8
203.10706	5.8
204.11098	0.4
205.04988	53.6
206.05524	3.6
207.02975	0.7
208.03677	3.4
219.10286	0.5
221.08151	1.7
221.11732	4.8
222.05176	0.7
222.12105	0.7
223.06056	100.0
224.06352	5.0
233.04745	0.4
237.07690	1.1
247.06090	5.2
265.07153	7.0
269.04556	2.3
271.02383	0.7
284.03165	1.9
285.03845	0.7
295.08286	0.6
299.05466	2.8
325.09161	0.6
365.16138	0.6
367.10284	4.9
383.18573	0.6
385.11337	1.8
409.16199	0.6
491.11407	0.5
503.32193	0.6
563.14008	1.6
589.22632	4.1
590.22601	0.7
607.16125	3.8
607.23914	19.1
608.16949	0.6
608.24432	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	607.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26480	0.4
55.01738	0.5
57.03314	1.5
59.00987	0.6
59.01253	7.6
65.00198	0.5
71.01257	6.8
71.59418	0.6
71.59805	0.4
72.99171	0.6
73.02823	2.1
78.95811	0.5
83.01269	0.9
85.02827	2.8
87.00745	0.9
89.02324	2.1
89.03853	0.5
91.01787	0.5
93.03355	1.0
95.01289	0.8
99.00715	0.9
101.02308	3.8
108.02033	0.8
113.02337	2.8
117.03350	0.7
119.01260	0.8
119.03332	0.6
119.04919	1.0
121.02848	6.6
132.02074	1.2
134.03609	1.3
135.04472	0.9
137.02383	0.5
147.04396	3.6
149.02347	52.6
150.02707	2.4
151.03964	0.6
152.01035	0.8
153.01787	0.7
160.01570	2.1
161.01936	0.8
161.04485	1.3
163.03940	1.4
164.04701	45.9
165.05133	1.3
168.00571	0.4
175.00287	3.7
175.03893	2.9
175.11188	0.8
176.04202	1.0
177.12776	1.5
179.07037	4.9
187.96637	0.4
190.02663	9.1
190.99805	0.8
191.03163	0.6
193.01418	0.5
193.05051	1.6
194.05276	0.8
205.05028	10.5
206.02205	1.1
206.05518	0.6
208.03763	1.7
218.05223	0.5
219.97276	0.5
221.04507	1.3
223.06084	100.0
224.06433	5.8
239.05470	0.5
247.06062	0.8
269.04474	0.7
269.10303	1.1
293.04385	0.6
299.05533	0.7
383.13623	0.8
401.18451	8.5
402.18869	0.8
467.70828	0.5
503.32251	1.6
521.33258	0.8
607.19019	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	607.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37562	0.9
55.01724	0.9
57.03320	39.6
59.01249	19.3
71.01251	13.1
72.99157	1.1
73.02811	2.7
81.03312	1.8
83.01264	1.4
85.02825	6.1
87.00745	1.7
89.02319	4.8
91.01755	1.1
93.03325	2.9
95.01257	2.6
96.95876	1.3
97.02846	1.3
99.00754	1.7
99.04379	13.4
101.02309	15.2
108.16704	1.0
109.02827	1.6
112.50582	1.1
113.02334	7.9
117.03397	1.1
119.01247	3.2
119.03350	1.2
119.04903	2.9
121.02840	9.2
121.78674	0.8
123.04382	1.4
125.02312	3.6
129.01852	1.0
131.29161	1.0
132.02095	1.2
133.02826	1.3
134.03632	2.8
135.04405	3.7
137.02336	2.0
143.03427	1.5
143.50412	0.9
147.00764	1.2
147.04407	4.2
149.02335	52.5
150.02690	1.7
151.00354	0.9
151.03864	1.7
151.07550	3.1
152.01086	1.3
160.01614	3.1
161.02330	2.2
161.04439	4.0
161.09596	1.1
163.03906	3.3
163.07533	1.6
164.04689	47.1
165.01848	2.2
165.05118	1.6
173.04529	2.2
175.00278	24.5
175.03934	2.6
176.00781	1.2
179.03339	0.9
179.07043	5.8
179.10748	1.5
181.04988	1.1
190.02628	52.6
191.03053	4.3
191.10695	1.1
193.01440	1.1
193.05032	2.3
203.10620	5.7
205.04987	57.2
206.05484	3.7
208.03658	3.1
221.08073	1.8
221.11722	7.5
223.06056	100.0
224.06421	4.7
232.03801	1.1
247.06079	8.7
252.84105	0.9
265.07120	9.6
267.07104	0.9
269.04602	1.7
285.04108	1.2
285.07642	1.4
295.08188	1.7
299.05618	2.0
313.07217	2.7
320.30627	1.0
328.09464	3.7
329.10049	1.7
341.10434	1.0
343.11676	5.6
344.12469	2.8
358.14182	5.0
359.14859	6.7
367.10339	6.8
371.14957	2.9
385.11490	1.4
394.36508	1.0
399.44815	0.9
448.32599	1.0
475.19711	5.3
476.20215	1.6
503.32217	7.7
504.32791	1.1
515.22748	9.9
521.32678	1.8
547.29565	1.1
589.22864	5.1
590.22943	1.2
607.23810	28.3
608.24310	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	607.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.5
58.00477	0.7
59.00946	0.8
59.01250	14.6
64.47727	0.7
68.72495	0.8
71.01250	6.7
72.99192	1.0
73.02808	2.0
75.00749	1.1
78.95769	0.8
83.01273	1.1
85.02821	3.8
87.00751	1.3
89.02334	2.6
89.03861	1.3
93.03329	39.1
94.03680	1.8
96.95888	2.2
97.02868	0.9
98.19767	2.1
99.00757	0.8
101.02317	3.4
109.02833	1.3
111.16705	0.7
113.02331	3.6
117.03339	13.2
118.58868	0.7
121.02804	1.2
125.02301	1.0
130.61842	0.6
131.01300	2.4
133.02898	0.8
134.03627	31.6
135.04358	0.8
137.02338	100.0
138.02693	2.4
139.03856	0.6
143.03552	0.7
149.02336	3.2
149.05963	4.5
151.00208	0.7
152.01041	1.0
159.04533	0.9
160.01572	1.5
161.02229	1.5
162.03041	0.7
163.03888	2.8
164.04683	2.4
165.01909	0.7
173.02347	5.4
173.04239	0.8
175.00287	10.0
175.03906	1.9
178.02753	0.9
190.02654	5.5
193.04993	13.0
205.05009	6.8
209.06183	0.8
223.06036	3.9
253.05040	2.7
255.03041	1.2
261.86069	0.8
265.07266	0.9
269.04535	2.0
270.04733	0.8
281.04504	1.0
283.06104	15.0
284.03229	1.9
284.06284	1.1
285.04013	1.0
293.04541	79.5
294.04913	6.3
295.06064	1.8
296.27335	0.7
299.02069	1.1
299.05484	1.6
311.05606	21.1
312.05902	1.5
323.05698	1.6
335.05762	0.8
341.06516	6.6
346.25555	0.7
413.08759	41.1
414.09399	3.7
431.09793	25.6
431.18985	1.1
432.10260	3.1
503.32324	6.4
521.33386	1.2
563.17590	2.2
607.14136	0.8
607.24054	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	607.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
57.03322	1.6
57.64003	0.4
59.01249	7.0
64.92585	0.4
65.00249	0.4
69.03328	0.6
71.01247	5.9
71.58059	0.9
72.99166	0.5
73.02814	2.0
75.00732	0.8
80.66471	0.4
83.01264	0.9
85.02823	3.4
89.02310	1.8
91.05456	0.5
96.95916	0.6
99.00744	1.3
101.02317	3.4
108.02061	0.7
112.15260	0.4
113.02324	3.9
117.03352	0.6
119.01271	0.8
119.04859	0.6
121.02841	8.0
122.03105	0.5
125.02280	0.5
129.91095	0.4
132.02061	1.5
134.03632	2.0
135.54836	0.4
137.02394	0.4
141.04080	0.4
147.00771	0.6
147.04420	3.7
148.04874	0.6
149.02339	53.1
150.02693	2.1
151.03868	0.5
152.01102	0.7
156.25143	0.4
160.01608	2.5
161.02040	0.9
161.04449	1.7
163.03883	1.2
164.04697	51.3
165.04997	1.9
175.00294	4.2
175.03873	2.5
175.11220	0.6
176.04260	1.0
177.04417	0.5
177.12830	1.0
179.07069	4.7
190.02638	10.3
190.99770	0.8
191.03232	0.8
193.04976	3.5
194.05389	1.0
202.06625	0.4
205.05017	11.9
206.02194	0.5
206.05353	0.8
208.03693	1.6
221.04530	1.5
223.06067	100.0
224.06450	4.4
269.10223	0.9
279.80157	0.4
293.04358	0.8
299.05374	0.4
359.27899	0.5
383.13705	1.1
401.14294	1.2
401.18506	6.0
402.18201	0.5
430.60190	0.5
503.32376	1.4
520.13196	0.5
607.20770	2.0
607.26880	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	607.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.4
57.03318	10.7
58.75306	1.9
59.01247	100.0
60.21959	1.9
61.98698	3.6
67.01742	1.8
69.03330	4.4
70.07359	4.2
70.07762	5.3
71.01250	48.9
72.01571	2.3
72.99168	8.0
73.02818	16.4
75.00739	4.7
78.95782	2.1
79.89202	1.6
80.96388	2.9
81.03326	2.6
83.01252	9.9
84.94991	3.4
85.02822	23.7
87.00751	8.1
89.02310	17.5
91.01774	2.7
93.03329	83.8
94.03677	2.3
95.01248	10.3
96.95859	5.1
97.02824	4.7
99.00749	19.1
101.02325	24.3
107.04890	6.8
108.02064	5.9
109.02827	8.8
111.00734	2.5
113.02319	29.1
117.03348	3.9
119.03361	3.8
119.04864	2.5
121.02828	48.6
123.00742	5.0
123.04383	4.7
124.01577	2.1
125.02340	7.9
132.02063	4.4
133.02864	4.0
133.04770	2.1
134.03629	12.7
135.04425	7.1
137.02336	79.3
137.09628	2.8
138.02684	2.4
139.00322	2.4
143.03394	4.2
147.04381	3.6
149.02367	25.1
149.05922	3.4
150.02965	2.0
151.00270	2.9
151.03897	5.0
152.01021	4.8
153.01875	9.1
160.01498	13.5
161.02315	3.9
161.04475	9.7
163.03882	4.6
163.05840	1.9
164.04710	16.9
165.01811	2.2
165.05396	3.6
165.12767	2.9
167.03415	9.8
171.13872	2.9
175.00293	15.8
175.02429	2.8
175.03879	15.5
175.11185	4.0
177.01843	3.3
177.12695	5.0
179.03348	3.7
179.07002	2.9
183.13788	7.0
190.02602	34.4
191.03328	4.3
191.05502	3.4
193.04955	14.1
197.06024	10.5
199.07542	2.5
202.08192	1.9
205.05014	32.9
206.02104	2.2
206.05495	3.5
207.02829	2.3
209.11682	4.3
221.04500	3.7
223.06044	26.8
223.08148	3.4
224.06223	2.2
227.07071	93.3
227.12827	2.8
228.07503	5.8
241.05025	3.1
247.06026	4.0
249.06268	3.2
255.02991	7.1
267.07233	2.4
269.04535	28.0
269.10272	8.7
270.04849	2.8
271.09695	3.7
281.06641	7.4
283.02545	3.1
283.06107	6.8
284.03192	10.1
284.06729	7.3
285.03973	7.7
299.02310	3.4
299.05579	10.0
299.09259	18.9
311.05490	10.4
323.07816	2.8
337.09399	10.1
357.26385	5.7
363.12711	2.7
367.10132	4.6
369.11697	2.4
384.93536	2.4
397.13571	2.8
401.18124	38.6
413.10602	11.8
431.09799	3.7
455.11887	37.0
456.12521	3.9
502.30856	3.2
503.32202	31.6
507.14844	6.0
521.16718	7.0
521.33185	8.7
563.17615	7.0
563.33667	2.4
607.13879	5.3
607.25299	19.2
607.33435	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	607.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03312	1.5
57.78039	0.5
58.00478	0.5
59.01251	7.3
62.20912	0.4
69.03321	4.5
70.99641	1.2
71.01250	7.9
72.99176	1.0
73.02805	1.3
75.00743	0.6
77.05433	0.5
81.03339	1.2
83.01263	1.2
85.02827	4.7
87.00759	2.1
88.06524	0.4
89.02326	6.5
89.03816	1.0
91.01754	0.6
93.03344	1.7
95.01241	2.3
96.95894	0.8
97.02837	2.1
99.00748	1.4
101.02328	2.5
105.59165	0.5
107.01247	0.6
107.04896	1.1
108.02050	67.5
108.40363	0.5
109.02851	20.7
110.03159	0.7
111.04457	0.6
113.02345	3.6
117.03356	3.6
119.01290	1.7
119.03418	0.7
119.04919	1.7
121.02841	4.4
123.00785	2.1
123.04362	1.2
123.08075	0.7
125.02329	5.1
132.02058	5.9
133.02869	3.8
133.04944	7.0
134.03629	34.8
135.00740	0.9
135.04454	6.1
137.02361	1.4
137.09543	0.5
139.00276	0.5
143.03400	0.5
145.02809	0.8
147.00772	1.3
147.04411	2.2
149.02341	22.7
149.05978	3.6
150.02913	0.9
151.00291	2.2
151.03949	1.3
151.07579	1.2
152.01053	100.0
153.01845	23.8
153.05434	0.4
154.02180	0.6
160.01563	23.9
161.02362	12.2
161.04404	1.0
162.02975	0.5
163.03879	2.4
164.04694	20.5
165.01811	1.8
165.05412	0.7
166.02765	0.5
167.03345	1.3
168.00497	0.6
171.10138	0.5
173.04488	1.0
173.54784	0.5
175.00299	11.2
175.03918	22.0
176.01120	2.5
176.04300	0.9
177.01799	1.5
178.02586	1.1
179.03427	4.0
179.07074	2.4
179.10574	0.7
181.04964	0.5
185.51540	0.4
190.02637	26.7
191.03389	5.8
191.05260	0.9
193.04988	17.4
194.05437	0.9
203.03426	0.5
203.10680	2.0
205.04985	22.4
206.05470	1.9
207.02950	0.8
207.06529	0.5
208.03621	1.0
217.05016	0.8
221.08153	0.5
221.11765	2.6
222.05238	0.5
223.06059	29.4
224.06448	0.9
247.06129	2.2
250.04681	0.5
265.07156	2.8
269.04492	1.4
270.04758	0.5
283.02289	0.6
284.03281	2.5
285.03903	0.6
297.06210	2.5
299.02194	0.7
299.05533	3.1
315.07080	1.7
337.09436	0.5
339.07190	1.6
357.08298	1.0
367.10049	1.3
369.08270	0.8
387.09326	0.8
395.09631	1.2
413.10797	2.9
431.11780	1.1
439.12271	1.1
473.10648	1.7
491.05115	0.5
491.11493	3.0
563.14038	21.2
564.14386	3.1
589.22845	1.1
607.16461	76.0
607.24115	4.9
608.16833	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	607.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48580	0.4
59.01242	1.1
60.07063	0.3
65.00227	0.3
70.34346	0.3
70.87543	0.4
70.90002	1.0
76.31893	0.3
85.02811	0.5
101.02328	0.4
107.01271	0.7
108.02056	0.9
112.37842	0.3
121.02889	0.4
134.03548	0.9
149.02400	0.4
151.00264	1.0
152.01006	0.8
160.01512	0.6
164.04662	0.6
175.03963	0.7
179.03313	0.4
190.02527	0.9
191.05560	0.4
205.05005	0.6
223.06055	0.8
228.04329	0.5
255.02951	27.4
256.03488	3.1
268.03735	1.0
269.04556	4.0
270.04758	0.4
283.02441	15.8
284.03229	59.8
285.03793	7.7
286.04404	0.5
297.00653	0.7
297.04004	10.6
297.07245	0.8
298.04797	10.2
299.05573	100.0
300.05902	9.1
313.03445	0.7
339.04968	0.6
341.06662	0.7
428.07428	0.5
443.09384	1.1
447.09497	0.6
592.14386	0.4
607.16595	69.4
608.16980	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	606.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.2
59.01250	1.2
61.98698	100.0
65.80903	0.2
69.04521	0.2
70.58582	0.2
70.58901	0.5
71.01252	0.3
78.95763	1.0
83.01286	0.2
85.02821	0.2
87.68945	0.2
101.02348	0.2
108.02051	0.2
113.02316	0.2
135.04285	0.2
152.01088	0.3
152.99545	0.4
179.76537	0.2
209.11771	0.7
211.13368	0.6
215.06931	0.2
228.29712	0.2
230.56693	0.2
238.12086	0.2
239.79962	0.2
240.89850	0.2
246.19414	0.2
249.97118	0.2
254.09665	0.2
289.17947	0.4
290.18365	0.4
291.18893	0.3
292.19083	0.3
299.05612	0.2
307.19070	0.3
308.19589	0.6
309.19940	0.5
309.33755	0.2
463.16019	0.2
575.26550	0.4
592.55542	0.2
607.27258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.8
60.99159	1.7
61.89347	0.9
69.03309	4.1
69.44267	5.8
69.44674	2.4
71.01242	4.7
72.99179	1.3
75.00716	0.9
78.91438	1.1
81.03309	1.5
85.02822	4.8
88.98674	7.8
89.02299	4.1
93.03324	2.3
95.01245	1.5
97.02826	2.9
99.00731	1.3
101.02319	1.3
107.04838	1.2
108.02045	75.9
109.02867	20.1
111.00745	1.1
113.02301	2.0
117.03320	1.5
119.01258	2.7
119.03442	1.1
119.04876	2.0
121.02791	3.5
122.67335	1.0
123.00732	2.6
125.02341	5.4
132.02028	4.3
133.02843	2.8
133.04939	4.1
134.03632	18.0
135.04428	5.2
138.03044	1.1
147.04329	1.8
148.01503	1.1
149.02341	14.2
149.05946	1.2
150.03128	1.5
151.00284	2.3
151.03868	1.1
152.01042	100.0
153.01840	26.7
160.01552	12.7
161.02336	8.8
163.03870	2.4
164.04703	11.0
165.01788	1.2
167.03392	1.8
173.04486	1.3
175.00288	11.8
175.03917	12.2
176.01053	6.9
176.04292	1.4
177.01820	2.4
179.03339	3.0
187.68524	1.0
190.02629	29.1
191.03375	13.3
193.04959	10.4
205.04970	18.6
206.05289	1.5
209.04395	2.7
209.11636	1.4
223.06056	10.3
255.02953	1.1
269.04425	2.5
284.03317	4.7
297.06375	1.0
299.05554	6.2
339.07217	6.4
355.23105	0.9
357.08228	3.1
395.09644	3.5
413.10800	2.0
414.45056	1.1
473.10776	1.4
491.11771	1.6
519.15015	1.8
521.12982	2.0
563.13983	81.3
564.14355	10.0
607.16522	65.7
607.24677	3.0
608.17108	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	607.167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.1
59.01240	0.2
63.02010	0.1
63.02284	0.3
64.99920	0.1
65.00221	0.2
68.31699	0.1
69.03336	0.2
69.39613	0.1
69.40017	0.6
73.02796	0.1
83.01295	0.2
85.02843	0.1
98.20541	0.2
99.44577	0.1
107.01263	0.6
108.02122	0.1
119.04900	0.1
125.02327	0.2
132.02032	0.1
133.02888	0.3
134.03629	0.6
134.29279	0.1
137.02426	0.1
146.96794	0.1
148.01578	0.2
149.02342	0.3
149.99481	0.2
151.00281	1.1
152.00897	0.1
153.01849	0.1
158.03525	0.1
160.01640	0.1
161.02368	0.1
164.04726	0.1
167.35039	0.1
169.01367	0.2
175.03857	0.1
183.04410	0.2
184.05141	0.1
187.03952	0.1
190.02727	0.1
193.04993	0.1
199.03946	0.3
200.04735	0.2
211.03893	0.4
212.04738	0.2
216.04099	0.1
223.03961	0.1
223.06055	0.2
227.03389	0.9
228.04178	0.2
239.03424	0.2
243.02744	0.1
255.02959	10.8
256.03656	2.7
257.04395	0.4
267.03265	0.1
268.03635	0.2
269.04626	0.5
270.04819	0.1
271.02371	0.2
283.02481	2.8
284.03241	57.3
285.03671	5.1
286.04126	0.1
297.04062	1.3
298.04776	0.8
299.05585	100.0
300.05927	7.7
300.09488	0.2
308.55377	0.1
313.03433	0.3
341.06546	0.3
360.23734	0.1
447.09024	0.1
607.16687	2.0
608.16602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.5
57.03314	5.8
59.01249	100.0
61.98685	2.7
69.03329	3.8
71.01250	36.2
71.04887	1.9
72.99171	3.5
73.02817	12.9
73.30616	1.5
75.00748	5.0
82.23375	1.5
82.95280	3.1
83.01260	7.2
83.02364	2.1
85.02821	25.2
85.10239	2.0
87.00745	6.8
87.04366	1.9
87.93777	1.7
89.02323	10.0
93.03323	4.5
95.01280	5.3
96.95871	2.3
97.02835	4.1
98.19736	4.0
99.00748	5.8
101.02321	23.3
107.04882	2.1
108.02044	4.6
109.02843	5.8
111.00779	5.0
113.02330	18.4
119.03421	2.0
119.04890	2.9
121.02824	3.1
123.04347	2.1
125.02351	6.3
134.03650	8.2
135.04419	2.1
137.02319	5.4
139.97145	1.7
143.03441	3.0
149.02362	5.3
149.05974	2.2
152.01085	2.1
153.01825	6.4
157.12350	2.2
158.56790	1.6
159.02925	2.0
159.48274	1.5
160.01564	8.4
160.08881	2.7
161.02266	4.7
161.04483	5.3
163.03952	4.2
163.06012	4.8
163.11223	2.2
164.04655	2.8
165.05428	1.8
165.12796	2.0
175.00348	2.2
175.03928	10.1
175.11140	4.0
177.01804	2.7
178.02753	1.8
179.03320	2.0
189.01872	1.9
190.02577	8.0
193.04932	10.2
205.04999	7.1
219.10178	2.3
223.06136	7.6
227.12750	2.3
249.06004	2.0
267.07224	5.1
285.04010	3.0
330.16614	2.9
339.25369	2.2
348.17911	2.6
353.10199	8.4
355.25082	2.2
357.26422	7.3
364.02762	2.0
399.16693	3.9
429.24512	2.6
465.28415	2.1
483.29633	4.8
501.30667	95.0
502.30920	13.0
519.31671	27.1
520.32098	2.4
543.31549	2.3
545.29932	7.9
563.30884	3.6
605.23126	3.7
605.33270	9.8
609.30322	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	605.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06976	0.3
72.23973	0.5
73.10743	0.4
78.69090	0.3
114.79011	0.4
170.84129	0.4
287.89737	0.4
394.12045	0.5
415.15884	0.9
416.17114	0.8
428.16418	0.7
429.17160	0.7
430.18115	1.3
443.19150	0.5
452.16483	0.4
456.15469	0.6
457.20847	2.4
458.21118	0.5
459.17737	2.8
460.18622	0.7
461.23495	0.5
470.21292	0.7
471.18250	2.8
472.18713	0.9
473.19662	5.5
474.20047	0.8
475.21255	0.8
477.61978	0.4
485.19736	2.2
485.24384	1.2
486.20758	4.1
487.21240	1.3
496.18912	1.0
499.17706	2.9
500.18179	0.7
501.23849	3.2
502.19849	0.6
511.21500	2.9
513.19482	2.7
514.20038	9.7
515.20544	1.5
517.18671	0.8
518.19452	2.0
527.21228	0.4
528.21875	0.5
529.22406	100.0
530.22772	16.8
532.21161	1.8
533.21515	2.2
546.22345	0.6
561.25085	1.0
573.21362	0.9
605.24127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91655	2.5
59.01241	35.4
61.54512	2.8
61.98696	9.1
69.28533	5.4
69.28944	24.5
70.30090	2.6
71.01254	11.7
73.02816	4.2
75.37555	2.6
77.92444	2.7
78.95769	2.8
79.74604	2.7
82.26083	2.7
83.01245	4.2
85.02817	4.1
87.00710	2.8
89.02314	10.8
97.02815	7.7
99.00748	4.6
101.02325	13.0
113.02319	6.5
119.03341	3.6
137.09555	3.0
152.57802	2.7
164.04622	4.5
165.12688	5.1
171.10219	4.0
193.67300	2.6
197.11766	5.5
209.11855	4.4
211.13261	4.4
227.12781	4.8
247.20592	4.1
253.09222	34.6
291.19620	35.9
292.19769	3.6
309.20679	100.0
310.20987	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	605.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.8
57.03325	2.9
58.00465	1.0
59.01249	15.2
61.98682	2.3
62.63759	0.4
67.01762	1.2
68.99697	1.1
69.03320	1.4
69.70071	2.9
71.01249	16.8
71.04887	0.6
72.99176	6.7
73.02816	3.1
75.00742	14.5
75.69123	0.4
78.95779	0.5
79.95587	0.5
80.96390	0.7
81.03313	0.7
82.38147	0.4
83.01265	2.2
83.04884	0.6
85.02821	16.6
85.03352	0.9
86.05028	0.4
87.00739	5.9
89.02329	4.8
91.01769	1.0
93.03348	0.8
95.01243	4.1
96.95888	8.8
96.96852	0.8
97.02818	0.6
97.06496	1.3
98.20518	0.8
99.00749	9.0
99.01347	0.8
101.02322	2.8
103.00258	1.6
108.02036	0.9
109.02834	4.8
111.00776	0.9
113.02322	17.1
115.00273	1.4
117.01815	1.5
119.03384	0.6
119.04912	0.6
121.02796	0.7
122.06002	0.4
123.08058	0.7
125.02341	1.0
125.09606	1.5
129.01822	1.3
132.02107	1.3
133.04976	0.9
134.03639	4.9
135.00764	2.8
135.04315	0.7
137.02332	1.5
145.02834	0.5
147.04332	0.5
149.02333	0.7
149.05937	0.9
152.01083	0.7
153.01840	2.3
153.12759	0.7
157.01357	1.0
160.01541	6.5
161.04517	0.6
163.03906	1.2
163.06021	0.8
164.04681	0.6
175.02402	1.7
175.03943	6.1
178.02596	0.5
179.03439	0.6
189.03923	0.6
190.02631	1.1
191.03392	0.6
193.04997	5.5
199.13326	0.5
205.04953	1.3
205.06932	1.0
211.13165	0.4
223.06061	0.7
225.60815	0.4
227.16498	2.0
229.04938	0.5
239.16536	1.4
249.06119	10.8
267.07150	1.0
269.04602	0.6
285.03998	0.6
295.22794	1.5
304.33389	0.5
307.22885	0.9
314.56134	0.4
319.22800	0.7
325.23822	15.7
326.24200	1.5
330.03775	0.5
337.23746	2.0
345.06110	0.7
355.24854	45.0
356.25162	3.9
357.26587	0.9
429.10339	7.0
430.10724	1.0
485.31396	0.5
545.29852	1.9
561.32837	1.3
587.31219	2.8
605.31897	100.0
606.25256	0.5
606.32269	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	605.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
57.03312	2.7
59.01248	28.5
67.01762	0.8
67.35117	0.6
68.59591	0.6
69.03326	0.9
69.50201	4.5
71.01244	18.3
72.01582	0.6
72.99175	4.2
73.02803	1.3
75.00742	10.2
76.37465	0.5
83.01263	1.0
85.02821	22.1
86.03120	0.7
87.00739	8.3
89.02314	6.3
91.03851	1.0
94.06826	0.6
95.01244	3.2
96.95859	2.1
99.00748	6.9
101.02313	1.9
103.00230	1.9
108.02057	0.7
111.00766	2.3
113.02324	30.1
114.02671	0.7
115.00237	0.9
117.01801	1.3
125.02347	0.8
129.01788	2.2
131.03473	0.8
135.04364	0.7
137.02338	1.8
141.01839	0.6
143.03392	0.7
151.03903	0.7
152.01077	0.7
153.01764	1.2
159.02893	0.7
173.04385	0.7
175.02374	2.0
191.03394	0.7
191.05516	2.4
193.03464	3.8
205.07082	2.6
207.04982	1.4
238.88718	0.7
249.06079	6.8
267.07184	100.0
268.07571	4.1
291.07193	11.2
309.07968	0.7
315.07275	1.9
335.06180	21.1
339.07321	0.9
353.06531	1.6
383.07596	1.0
388.60333	0.8
443.09628	0.7
443.19040	0.7
605.17133	12.4
606.14551	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	605.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.1
59.50390	0.2
63.02266	2.1
65.00178	1.1
65.00467	0.1
65.65182	0.2
71.01260	0.5
74.34478	0.2
75.31372	0.2
83.01272	0.5
84.92091	0.1
85.02822	0.2
89.02330	0.4
93.03339	0.5
107.01263	2.2
108.02058	0.2
113.02347	0.2
117.03341	3.5
121.02863	0.3
135.04446	0.4
147.00856	0.2
148.01526	0.3
149.02325	1.1
149.99510	0.3
151.00279	1.9
151.89040	0.2
152.00722	0.3
159.04413	1.4
161.02310	1.1
169.06525	0.5
171.04472	0.3
172.05173	0.3
180.05743	0.2
181.06511	0.5
182.03622	0.2
183.04413	0.8
183.15805	0.2
191.03394	0.5
191.05428	0.4
195.04495	0.3
196.05269	0.4
197.06021	0.7
199.03981	0.4
200.04547	0.2
201.05527	0.7
211.03912	0.7
212.04599	0.3
224.04735	0.6
225.05534	1.7
227.03435	0.6
239.03471	1.4
240.04166	1.3
241.04903	0.2
267.03036	0.7
268.03748	18.0
269.04532	100.0
270.04886	7.5
311.05527	0.4
443.09753	0.2
455.09808	0.7
473.10880	0.5
545.13000	0.4
563.13989	1.5
574.72241	0.2
605.15082	37.6
606.15436	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	605.1514
Annotation	AC1NSYN4
Peak:m/z	Relative Intensity
59.01252	1.3
63.02262	1.8
63.02570	0.1
65.00178	1.0
69.36563	1.0
69.48631	0.1
71.01260	0.5
72.99175	0.1
73.02828	0.1
83.01270	0.4
85.02827	0.2
87.00751	0.1
89.02322	0.4
90.99139	0.1
93.03319	0.5
96.95908	0.1
98.20507	0.2
101.02330	0.2
104.16653	0.1
105.03320	0.1
107.01266	2.0
108.02095	0.2
109.02840	0.2
117.03344	3.7
119.83619	0.1
121.02830	0.2
130.04147	0.1
135.04385	0.6
137.02394	0.2
144.69432	0.1
146.03697	0.1
147.26431	0.1
148.01587	0.2
149.02344	1.1
149.99503	0.2
151.00262	1.4
153.01866	0.2
155.05014	0.2
157.06517	0.1
158.03662	0.1
159.04434	1.4
161.02333	0.9
169.06520	0.4
171.04445	0.4
172.05161	0.3
180.05682	0.2
181.06517	0.4
182.03671	0.1
183.04413	0.9
184.05258	0.1
191.03416	0.5
191.05470	0.2
193.05080	0.2
193.72220	0.1
193.79767	0.1
195.04388	0.2
196.05243	0.7
197.06030	0.9
199.03902	0.3
200.04695	0.3
201.05595	0.6
203.03493	0.2
211.03970	0.6
212.04721	0.3
223.04033	0.1
224.04770	0.5
225.05537	1.4
227.03439	0.6
232.03783	0.1
239.03461	1.2
240.04237	1.3
241.04828	0.1
267.02963	0.6
268.03766	17.4
269.04529	100.0
270.04880	7.3
270.07901	0.2
285.04071	0.2
293.04312	0.1
297.07761	0.3
311.05557	0.4
410.22357	0.1
413.08539	0.1
443.09863	0.2
455.09927	0.6
473.10825	0.6
545.12848	0.3
563.14026	1.8
564.14740	0.1
574.66614	0.1
605.15063	34.5
606.15417	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	603.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	5.9
59.66896	1.5
60.99184	1.9
70.60252	4.2
71.01241	3.4
78.95781	7.0
84.43109	1.3
87.00737	6.1
88.00272	8.5
88.06911	1.2
88.98681	16.4
89.02309	100.0
90.02692	1.3
96.95850	2.0
103.91898	10.7
105.70700	1.3
112.50635	1.3
122.89304	16.3
124.89018	1.6
148.90883	41.4
150.90582	1.4
152.99460	3.3
162.92422	3.0
171.10146	6.0
172.90906	1.4
174.92352	1.9
176.90382	4.4
178.91936	2.0
180.93478	5.6
184.98407	1.5
190.91933	4.0
249.93320	2.9
250.94064	2.4
251.93095	1.6
277.21628	3.0
295.22672	1.4
307.09460	2.3
315.81818	1.2
320.94803	2.0
322.96252	8.5
323.96872	1.9
324.97824	28.0
339.00125	2.5
342.98645	11.6
411.13675	1.4
431.21964	2.1
603.20093	23.3
604.19794	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	603.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53492	2.4
59.01250	59.4
61.98703	11.5
68.91861	2.6
68.99686	3.4
69.50668	10.9
69.51099	12.3
71.01249	8.3
71.78670	2.8
80.38316	3.1
83.04896	33.0
85.02821	6.7
89.02347	5.0
96.95887	4.7
101.02317	5.1
109.02847	2.9
113.02292	4.3
131.13354	3.2
163.03809	3.7
163.11172	3.7
165.12700	4.8
171.10155	25.6
172.10513	7.2
183.13808	9.1
189.09120	21.2
209.11760	100.0
210.12091	6.0
211.13391	8.5
227.12843	11.9
235.07994	3.3
307.19049	4.1
351.08682	6.2
441.28592	8.4
603.29956	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	604.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59462	3.5
69.03320	5.2
71.01231	3.9
71.56445	7.5
73.74498	2.9
85.02809	60.0
87.04401	4.5
96.04419	87.0
97.02843	10.0
99.00716	3.6
112.03886	4.1
113.02350	5.8
115.03879	4.3
128.03418	10.2
129.01816	12.4
140.03418	6.3
141.01846	5.5
158.04474	34.7
164.79117	3.6
172.02429	5.3
173.59999	3.6
200.05635	6.5
202.03519	4.4
205.67961	3.3
218.06725	3.5
219.05095	8.7
235.36478	3.3
262.05664	100.0
263.05820	4.1
312.85040	3.5
338.83121	3.9
605.19098	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	604.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.7
55.17521	0.5
57.03309	3.9
59.01244	5.1
63.41144	0.5
66.03365	0.6
68.01316	0.7
68.04961	0.6
69.03323	5.8
70.02845	1.5
71.01248	6.7
71.57224	0.8
72.99188	0.8
73.02804	1.5
74.01646	0.6
75.00739	1.5
82.02853	2.0
83.01262	1.5
84.04386	0.7
85.02816	64.6
86.02364	1.1
86.03142	0.8
86.05997	0.8
87.00739	1.8
87.04375	4.0
89.02319	3.2
91.27110	0.6
93.03333	1.2
94.02885	1.2
95.01263	1.4
96.04419	100.0
96.96815	0.9
97.02813	11.2
97.04751	2.2
98.02334	2.1
98.03007	0.5
98.61685	0.5
99.00756	5.5
99.04430	0.6
101.02308	2.4
105.01834	0.6
108.02027	0.7
108.04404	1.0
109.02824	1.2
110.02298	1.1
111.00752	1.7
111.04413	2.6
112.03906	4.5
113.02304	2.9
114.01848	1.6
114.05489	2.0
115.03889	4.5
116.03403	0.8
119.03420	1.4
119.04918	0.8
122.02372	1.7
125.02345	0.7
126.05515	2.2
127.03889	1.0
128.03419	10.4
129.00859	1.0
129.01819	17.9
130.05006	0.8
132.29799	0.7
135.02890	1.2
135.04381	1.5
138.05499	0.5
139.03909	1.3
140.03409	8.5
141.01854	4.7
142.01343	2.0
144.02965	1.2
155.08153	0.6
157.04994	2.0
158.04480	32.6
159.02879	2.5
159.04872	0.8
170.04544	0.6
172.02391	4.3
173.04457	0.9
175.06059	0.9
179.05608	0.6
184.02335	0.9
185.09145	0.8
188.05508	0.8
191.05528	2.6
198.52821	0.6
200.05585	10.0
201.03984	3.3
202.03441	5.7
218.06668	4.0
219.05063	7.4
232.90163	0.5
244.04642	1.9
262.05646	97.8
263.05920	4.1
341.10736	2.6
404.30911	0.6
418.21588	0.6
604.17737	2.0
605.19037	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68163	0.9
55.01757	1.3
55.52270	0.9
57.03316	2.5
59.01255	48.2
61.98702	5.2
69.03330	1.7
70.14008	4.3
71.01260	12.5
71.04889	1.2
72.99154	1.5
73.02815	3.1
78.95758	1.1
81.03331	2.0
81.68052	1.0
83.01258	3.7
83.04906	2.1
85.02808	5.6
87.00742	2.4
89.02314	10.2
89.93572	0.9
93.03345	0.9
95.01273	1.3
95.04885	1.8
96.29784	0.9
96.95898	2.4
97.02834	3.2
97.06465	4.5
98.19811	1.1
99.00730	2.4
101.02319	14.0
109.06464	1.3
113.02316	7.1
117.82533	0.9
119.03375	3.5
121.02816	3.5
121.06490	1.9
123.04397	3.3
123.08047	2.9
125.02348	1.0
125.09638	6.1
134.03656	1.1
135.04361	1.1
136.14906	0.9
137.02327	1.6
137.09595	2.9
141.12741	1.6
143.03360	2.2
149.02397	1.0
151.11148	2.3
161.02242	1.2
161.04454	4.7
162.10442	1.0
163.11227	7.6
164.70316	1.0
165.12770	1.4
169.12236	6.4
171.10201	12.5
172.10509	1.8
179.05351	1.3
181.12218	1.4
185.11748	7.9
191.14334	10.0
192.14780	1.1
207.10176	4.9
209.11763	18.1
211.13364	4.6
212.13681	2.1
213.11110	1.1
217.16037	1.0
225.11261	3.3
227.12982	1.3
227.17970	1.7
237.11282	3.7
245.19089	16.8
246.19365	1.8
253.09274	37.8
254.09711	1.8
263.20108	2.9
271.17001	2.4
281.21283	1.1
289.18109	100.0
290.18433	8.5
307.19165	78.1
307.21976	0.7
308.19543	7.7
543.27875	1.5
603.30029	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37984	1.4
55.01751	2.2
55.10167	1.9
57.03304	2.8
59.01251	50.0
61.98697	2.0
62.48205	1.8
69.03329	1.5
71.01257	13.2
72.99164	2.2
73.02814	1.7
81.03347	4.0
83.01227	3.8
83.04876	2.7
85.02789	3.7
87.00713	1.7
89.02311	12.2
93.03328	3.4
95.04884	3.0
96.95913	3.0
97.02850	1.9
97.06454	4.8
101.02319	10.5
113.02324	6.4
119.03355	3.5
123.04404	5.0
123.08042	2.4
125.09641	8.0
135.07983	1.8
137.02304	6.1
137.09610	4.2
161.04445	6.5
163.11197	8.7
171.10176	13.5
172.10532	2.8
181.12236	2.5
185.11746	10.7
191.14369	9.9
207.10214	5.0
209.11798	28.2
210.12038	2.5
211.13306	7.9
212.13672	3.4
217.15982	1.9
219.06973	1.6
225.11234	5.6
226.59134	1.6
229.74408	2.0
237.11259	4.9
245.19121	19.0
246.19516	2.8
253.09270	39.9
254.09593	4.8
263.20151	4.1
271.16895	1.8
289.18097	97.0
290.18396	9.9
307.19141	100.0
308.19388	10.6
417.15201	1.7
543.28198	3.2
603.30542	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	603.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39330	0.2
53.37559	0.3
55.01748	0.3
57.03321	0.5
59.01251	8.6
61.98699	0.6
69.03324	0.4
69.27084	0.4
69.27422	2.7
71.01250	4.4
73.02473	0.2
73.02818	1.5
75.00734	0.3
78.95802	0.3
81.03338	0.3
83.01275	0.9
85.02811	1.3
87.00735	0.5
88.17968	0.2
89.02312	0.8
89.03849	0.8
92.01953	0.2
93.03337	0.5
95.01279	0.3
95.04868	0.3
96.54627	0.2
96.95888	0.6
98.20548	0.5
99.00788	0.6
101.02333	1.5
105.03352	0.6
108.02059	0.4
109.02848	0.6
113.02354	1.6
117.03360	3.5
119.03412	0.3
119.04902	0.8
121.02824	0.5
123.04385	0.3
123.08040	0.2
125.02338	0.4
132.02074	25.1
133.02922	2.7
134.03636	56.0
135.04041	1.7
136.01588	0.5
136.05159	0.5
137.02312	0.9
138.06721	0.5
139.03896	0.5
145.02902	0.3
147.04401	0.5
149.05984	6.4
150.06364	0.3
152.01074	0.5
152.08301	0.7
153.01831	0.5
153.09135	1.7
153.59575	0.3
160.01573	100.0
161.01910	4.7
161.09558	0.8
162.03036	0.2
163.11163	0.3
165.05412	0.5
172.77933	0.3
173.04527	0.3
175.03925	92.9
176.04277	4.6
177.01837	0.5
178.02649	0.7
179.03426	0.4
188.04640	0.3
191.05513	0.3
192.04230	0.5
193.04993	92.5
194.05324	3.6
205.04976	0.5
205.06837	0.3
205.12282	1.3
209.11707	0.5
217.04909	0.4
223.13329	0.8
235.06021	0.5
273.10388	0.3
285.03867	0.6
399.10791	0.4
441.18573	0.3
441.28220	0.5
543.22235	2.1
561.23413	0.6
603.24463	43.2
604.16040	0.4
604.24908	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.0
57.03327	5.4
58.00476	1.0
59.01252	65.1
61.98692	3.1
66.91238	0.8
69.03322	1.8
69.59767	0.8
69.60072	7.0
71.01255	19.3
72.99165	1.5
73.02803	3.2
75.00748	1.3
80.02541	1.2
81.03305	1.4
83.01260	1.3
83.04889	3.6
85.02820	4.1
87.00737	1.9
89.02323	11.2
95.04880	2.7
97.02860	1.4
97.06467	11.7
99.00752	1.9
101.02323	15.2
109.06465	2.3
111.08032	4.1
113.02327	7.5
119.03378	3.1
123.08089	1.2
125.02309	1.9
125.09570	1.9
135.04382	1.3
137.09554	2.1
140.94601	1.1
145.05086	0.9
145.10092	1.0
149.02322	2.3
149.09584	1.4
151.11186	12.3
153.09134	1.4
153.12732	1.4
155.10664	2.7
161.04440	4.2
163.11189	3.4
165.12764	15.1
166.13144	1.0
167.10629	1.7
169.12227	2.3
171.10172	9.4
172.10516	3.5
173.10789	1.2
177.12688	1.3
179.10675	4.1
181.12247	13.1
182.12543	1.4
183.13832	2.6
188.52031	0.9
190.02673	1.7
191.10718	6.2
191.14268	2.3
195.13843	1.2
205.12334	2.0
209.11769	55.3
210.12112	2.9
211.13333	9.7
212.13693	4.0
213.11349	1.5
213.13760	1.9
227.12839	17.4
235.08159	2.8
235.20674	1.2
239.09267	1.6
243.17598	1.0
245.19096	13.6
253.09276	41.1
263.20151	20.3
264.20544	1.9
271.16888	1.5
279.19708	2.9
289.18124	27.7
290.18454	1.9
301.07144	1.7
307.19147	100.0
308.19455	9.9
445.20770	16.7
446.21097	2.1
460.19528	3.3
543.28210	10.5
544.28705	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	601.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.7
62.33580	0.4
69.22852	0.5
69.23184	5.9
71.01241	1.0
71.56824	0.5
78.95770	0.7
87.00744	100.0
88.00272	13.7
88.00832	0.7
88.01099	1.5
88.03905	1.0
98.19723	1.1
103.91885	1.3
109.08393	0.5
113.02296	0.6
122.89285	0.7
146.91306	1.7
162.92393	0.5
171.10181	2.0
211.13319	1.6
277.21713	6.1
322.98343	1.3
323.97028	0.8
382.09836	0.6
536.92523	0.6
602.19794	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	603.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	5.3
59.01251	93.7
61.98695	3.4
68.80848	1.5
69.03318	8.1
71.01254	39.3
71.59619	2.6
72.99171	9.1
73.02815	6.6
75.00745	20.8
78.91759	1.8
78.95764	2.2
81.03333	2.9
83.01263	3.7
83.04927	1.8
85.02821	41.8
87.00753	11.1
88.98672	2.8
89.02314	14.6
93.03336	7.6
95.01256	11.2
96.95889	7.5
97.02837	4.0
99.00753	14.3
99.04380	2.5
101.02313	7.0
103.00254	7.7
106.44866	1.9
108.02058	1.9
109.02836	5.9
111.00776	3.5
111.04398	2.6
113.02322	53.0
115.00253	3.6
115.91950	1.9
116.92744	5.7
117.01794	3.6
119.03433	3.1
119.04902	7.0
121.02885	2.8
122.05991	1.7
123.04416	1.9
125.02341	6.4
129.01840	2.1
132.02107	1.7
132.04457	1.7
133.02809	2.7
134.03629	7.1
135.04445	3.6
137.02370	7.1
143.03421	2.0
149.02345	3.4
150.03113	2.3
151.00272	4.4
152.01030	2.4
153.01834	6.2
155.03455	2.7
159.04253	1.9
160.01526	3.0
161.02322	5.4
161.04378	1.9
161.13248	8.3
163.03896	6.3
165.04070	3.2
166.02637	1.7
167.03394	3.2
173.04489	5.3
173.54305	1.6
175.00298	2.5
175.02344	4.5
175.03944	4.4
179.03496	3.7
181.05002	3.1
185.00816	2.6
187.11182	4.0
190.02684	3.4
191.05536	7.7
193.04912	8.0
195.06445	2.0
205.05008	4.7
205.06950	2.1
205.12292	16.7
220.03889	2.1
223.06055	3.6
235.06067	2.6
241.09660	1.7
249.06123	28.6
267.07196	100.0
268.07449	3.3
269.04654	2.5
269.76270	1.9
284.03290	3.2
285.03912	4.8
337.09146	2.2
358.35608	1.6
389.77612	1.7
455.19202	56.4
456.19553	5.9
499.18213	27.7
500.18640	4.0
517.19147	6.7
543.28406	4.6
559.20313	40.2
560.20764	4.3
585.23816	7.9
603.15576	2.5
603.23871	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	600.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
59.01248	6.2
60.16212	0.3
61.98703	100.0
69.03326	1.7
69.27360	3.4
69.27781	0.8
71.01257	3.3
72.98282	0.3
72.99193	0.8
73.02824	1.0
75.00743	0.5
81.03314	0.4
83.01268	0.6
85.02828	1.8
87.00755	0.6
89.02312	1.9
91.01778	2.1
93.03349	1.8
96.95894	2.6
97.02827	0.6
99.00758	0.7
101.01765	0.3
101.02313	1.7
108.02058	4.6
109.02838	2.1
113.02342	2.1
119.03391	0.4
119.04929	0.9
121.02847	0.6
123.00789	1.0
124.01601	0.5
124.46632	0.4
125.02350	1.1
132.02094	0.5
133.02899	0.5
134.03601	3.1
135.00798	3.3
135.04483	0.7
137.02373	2.9
139.57826	0.3
145.02840	0.4
149.02385	0.8
149.05963	0.4
151.00298	1.1
151.03874	0.5
152.01059	6.1
153.01869	2.5
160.01570	4.7
161.02199	1.5
161.04543	0.3
163.03961	0.7
164.04697	0.7
165.05434	0.4
165.12714	0.4
166.02510	0.4
167.03348	0.4
168.00562	0.4
171.10201	2.9
172.10481	0.5
173.04593	0.5
175.00237	0.3
175.03952	5.0
176.04289	1.5
177.01901	0.4
181.04930	0.4
183.13881	0.6
185.00949	0.7
190.02731	0.9
191.05563	1.0
193.04985	3.1
194.05382	0.7
197.06046	0.7
205.05028	1.0
209.11850	2.1
210.12143	0.5
215.07278	0.5
223.06178	0.8
231.16046	0.6
242.05867	0.5
243.06577	17.7
244.06990	1.2
269.04272	0.4
284.03406	0.9
285.04053	2.3
286.04495	0.9
405.11859	1.9
429.10818	0.4
537.16132	17.1
538.16516	2.1
563.24908	3.3
564.25226	4.0
565.25842	0.4
572.58105	0.4
599.23700	0.7
600.23932	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	600.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.2
59.89000	0.1
61.98700	100.0
67.93158	0.1
69.31024	0.8
69.31458	0.8
71.01257	0.7
73.02825	0.2
75.00739	0.2
85.02830	0.5
87.00752	0.2
89.02306	0.3
93.03352	0.4
95.88036	0.2
96.95887	0.3
97.02835	0.2
98.20612	0.3
99.00784	0.2
101.02343	0.2
101.60638	0.1
101.64542	0.1
108.02086	0.4
109.02859	0.4
112.03937	0.2
113.02316	0.4
119.04899	0.3
122.05999	0.2
123.11422	0.2
124.01525	0.1
125.02326	0.3
134.03648	0.2
135.04451	0.3
136.48880	0.2
137.02382	0.3
144.83424	0.1
149.02272	0.2
150.03139	0.3
151.00345	0.2
152.01071	0.5
153.01846	0.5
161.02357	0.3
161.04559	0.2
163.03983	0.3
165.01871	0.4
165.05498	0.3
166.05023	0.2
167.03487	0.2
173.04449	0.3
177.21007	0.2
179.03410	0.2
191.05602	0.5
193.05006	0.3
195.06616	0.4
205.05104	0.2
225.07816	0.2
249.06183	0.2
285.04025	0.3
429.10550	0.4
600.23499	0.6
601.21246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49789	0.5
50.75856	0.5
53.33076	0.5
57.03312	1.6
59.01245	7.4
61.98701	8.4
62.69307	0.6
69.03333	3.8
69.44500	4.3
71.01249	6.2
72.99178	1.1
73.02814	2.1
73.52689	0.5
75.00745	1.0
80.41775	0.5
81.03333	0.7
83.01239	0.7
85.02815	6.6
87.00753	0.6
89.02311	1.7
91.03902	0.5
93.03309	1.0
95.01260	2.0
96.95868	5.5
97.02815	1.7
98.19786	1.1
99.00716	0.7
101.02314	3.3
103.53341	0.6
104.50702	0.5
107.09623	0.5
108.02045	63.2
109.02862	15.3
110.03212	0.6
111.08018	0.7
113.02331	1.9
117.42829	0.5
119.03396	0.8
121.02850	1.8
123.00727	1.0
123.04407	1.0
125.02348	3.0
132.62323	0.6
133.02866	1.2
134.03630	1.8
135.00792	0.7
135.04398	1.0
137.02333	1.1
150.03156	1.0
151.00345	1.5
151.03864	2.0
152.01048	99.4
153.01834	12.8
160.03967	0.6
161.04482	1.0
163.04016	2.7
165.01816	1.4
165.05437	1.2
165.12747	5.3
171.10155	1.7
171.43115	0.5
173.04616	0.7
175.03929	1.6
177.01878	1.2
177.09062	0.6
179.03401	1.1
181.05029	0.6
183.13828	18.4
184.14221	1.2
190.02679	0.6
193.04979	1.0
205.05106	1.0
209.11798	1.8
227.12820	2.6
285.03995	1.0
297.06125	3.3
315.07184	10.4
321.53601	0.6
373.12616	0.7
388.50574	0.7
413.38596	0.6
507.18771	0.9
525.12567	0.7
525.19647	3.5
599.23407	100.0
600.23706	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
59.01250	3.0
59.51423	0.2
61.98696	0.8
63.02255	0.5
63.29577	0.3
66.92556	0.3
69.03310	0.3
71.01250	2.1
71.58891	0.3
71.59246	0.3
72.01596	0.3
72.68885	0.3
72.99169	0.5
73.02831	0.4
75.00735	1.3
83.01260	0.5
85.02824	1.4
87.00758	0.7
89.02288	0.7
92.14516	0.3
93.03354	0.6
93.94000	0.3
95.01261	0.4
96.95895	1.2
99.00759	0.5
101.02314	0.7
107.01277	0.9
108.02090	0.5
109.02843	0.5
111.00688	0.4
113.02319	0.8
117.03352	1.5
119.04925	0.6
121.02859	0.6
123.00779	0.5
123.04448	0.5
124.01564	0.6
125.02316	1.3
133.04950	0.4
134.03661	0.4
135.04391	0.7
137.02319	1.1
139.03877	0.3
145.02786	0.3
149.02299	0.7
149.99500	0.4
150.03108	0.5
151.00276	0.8
151.03900	0.4
152.01056	1.1
153.01830	0.9
159.04408	1.0
160.03902	0.8
161.02307	0.8
163.03845	0.3
165.05479	0.6
167.03416	1.1
168.00502	0.8
173.04480	0.6
175.03831	0.4
179.03493	0.4
183.04562	0.5
190.02719	0.4
191.03510	0.4
191.05522	0.8
195.06497	0.6
197.06044	0.4
201.05556	0.4
209.08165	0.4
212.06754	0.4
223.05997	0.4
225.05479	1.1
227.03554	0.4
227.09117	0.9
249.06030	0.4
267.07266	0.5
268.03714	3.2
269.04535	100.0
270.04898	7.2
273.07657	0.6
274.08047	0.6
307.57782	0.4
389.14450	1.5
563.14056	13.9
564.14435	2.4
591.15631	0.3
599.23468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.2
59.01246	1.4
61.98691	0.3
63.02270	0.7
65.00222	0.5
69.76819	1.1
71.01253	1.1
73.02778	0.3
75.00735	0.7
75.67017	0.2
83.01252	0.2
85.02815	0.7
87.00736	0.5
89.02299	0.4
93.03320	0.6
95.01281	0.2
96.95905	0.6
99.00758	0.3
101.02335	0.3
107.01255	0.6
108.02025	0.5
109.02813	0.4
110.48865	0.2
113.02312	0.5
115.03988	0.2
117.01729	0.2
117.03328	1.8
117.38372	0.2
118.88860	0.2
119.04873	0.3
121.02828	0.2
123.00688	0.3
124.60311	0.2
125.02351	0.6
133.04962	0.2
135.04369	0.3
137.02289	0.5
139.04062	0.2
149.02315	0.9
149.99431	0.3
151.00230	0.4
151.03897	0.3
152.01024	0.5
153.01810	0.3
154.41710	0.2
159.04408	0.8
160.03893	0.3
161.02351	0.7
161.04391	0.3
163.03902	0.3
165.05370	0.3
167.03381	0.4
168.00526	0.2
169.06482	0.4
171.04385	0.2
173.04526	0.3
179.03404	0.3
183.04576	0.3
185.09599	0.2
191.05508	0.3
191.40793	0.2
193.04930	0.4
196.05113	0.2
197.06049	0.3
201.05467	0.3
225.05545	0.9
227.03540	0.3
227.09233	0.4
249.05925	0.2
267.07162	0.4
268.03741	3.1
269.04526	100.0
270.04868	7.5
389.14539	0.6
393.31836	0.3
395.63953	0.2
480.03281	0.2
563.14014	14.7
564.14282	2.0
599.23492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83606	0.9
57.03328	1.1
58.02594	1.0
58.02852	13.1
59.01251	6.4
61.98698	2.4
66.03349	1.9
69.48795	1.8
69.49198	5.7
71.01256	3.7
72.00752	0.8
72.97395	2.9
72.99170	1.0
74.00573	1.2
74.02348	26.4
77.42261	0.7
81.04454	1.7
82.02853	2.7
84.04425	1.1
84.60264	0.7
85.02831	1.9
85.03941	1.5
86.02361	9.9
86.05994	1.7
87.05522	5.1
89.02295	1.4
93.03333	1.4
96.04424	1.1
97.03942	3.6
99.05518	22.7
100.00280	2.9
101.02306	1.4
101.07079	3.4
102.05492	4.5
107.06032	1.6
108.02077	1.0
109.02843	1.7
109.03951	4.8
109.07593	2.0
110.02343	1.0
111.05516	2.2
112.03913	2.6
113.02347	2.1
113.03442	0.8
122.03505	0.9
123.05533	2.2
124.03930	1.6
125.02307	1.0
125.03478	3.5
127.05019	2.9
128.03435	70.6
129.03732	1.5
134.03609	0.9
135.04547	1.5
135.05524	8.2
136.01506	1.8
137.02327	1.4
137.07117	1.5
141.06566	2.9
142.45447	0.8
143.04529	90.3
144.04845	1.9
145.06064	2.8
146.04506	7.9
149.02345	3.0
150.03134	4.8
151.00275	1.4
151.03873	1.4
152.01028	2.3
153.06609	4.5
163.03894	1.8
164.04709	1.3
165.05455	3.5
165.12785	2.2
166.02597	1.0
166.09743	3.3
167.04533	3.2
167.08192	5.7
169.06084	1.7
170.03221	1.9
171.04012	2.2
171.10205	14.2
178.06184	1.1
179.04558	20.6
179.07024	0.9
181.06145	2.3
183.13829	1.7
184.10796	1.2
185.04135	0.8
185.05621	3.7
185.65179	0.8
192.07709	2.1
193.08685	1.7
195.06560	2.6
197.05656	3.8
209.11781	10.5
210.08795	18.2
211.09167	1.1
211.13393	0.9
221.46869	0.8
226.02299	0.8
228.09875	1.1
254.07806	52.6
255.08110	3.4
256.11243	1.8
269.04337	0.9
270.05054	1.0
272.08887	100.0
273.09195	4.9
285.04050	2.6
286.04733	0.9
291.19583	2.8
295.55496	0.9
300.02740	0.9
304.05914	1.1
325.18414	5.0
358.13834	0.9
387.14941	0.9
388.14789	1.4
469.23648	3.8
551.23138	1.3
580.27301	4.4
581.29303	1.0
598.27954	33.5
599.13074	1.0
599.28186	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	598.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02842	6.5
59.01244	5.7
61.98690	2.0
66.03350	0.9
66.75337	0.5
69.03327	0.5
69.28178	5.2
71.01262	2.5
72.00787	1.4
72.99169	0.7
74.02338	16.7
81.04437	0.8
82.02841	1.6
83.02366	0.6
84.04398	0.9
85.02800	1.4
85.03934	0.6
86.02343	7.0
86.05961	1.1
86.98966	1.4
87.00713	0.6
87.05501	3.5
88.03920	0.6
88.98676	0.9
89.02328	0.9
90.00064	1.5
93.03355	0.6
96.04411	0.7
96.95886	8.0
97.03957	1.7
99.05512	13.9
100.00262	0.6
101.02326	0.8
101.07074	2.5
102.05471	1.9
107.06018	1.4
108.02066	0.8
109.02814	0.6
109.03938	2.6
109.07588	0.6
109.65002	0.4
111.05524	1.5
112.03909	1.8
113.02319	1.1
116.01638	1.4
120.01129	0.8
121.02811	1.0
123.00778	0.5
123.05499	1.5
124.03947	0.6
125.02526	0.6
125.03497	1.8
127.05009	3.4
128.03419	40.4
129.99609	0.9
135.04529	1.0
135.05513	4.7
136.01479	0.6
137.02368	0.9
137.07051	0.8
138.05475	0.7
141.06548	2.9
143.04518	52.9
144.04845	1.6
145.06070	2.0
146.04494	5.5
149.07014	0.7
152.01134	0.9
153.01842	0.9
153.06618	3.6
155.08125	0.7
160.00616	15.1
160.01839	0.9
161.02272	0.6
164.04654	0.7
165.12778	1.1
166.09802	2.4
167.04498	4.1
167.08182	2.1
170.03224	0.6
171.04077	0.6
171.07675	0.8
171.10129	1.5
177.03304	6.0
179.02985	0.8
179.04521	11.7
181.06105	1.6
183.13751	1.3
184.10764	1.0
185.05643	2.6
185.07474	0.5
192.07712	0.8
193.91609	0.5
194.72226	0.5
197.05638	1.6
198.08780	0.6
199.03920	0.5
205.05016	0.9
209.11755	1.4
210.08759	11.4
211.09053	0.7
223.06018	0.6
227.12915	0.6
228.09738	0.6
231.04599	0.5
242.07819	0.9
249.05995	0.5
254.07784	16.0
272.08865	30.5
273.09216	1.4
285.03958	1.3
288.06592	9.8
289.06979	1.1
291.19788	0.8
306.07639	100.0
307.07925	6.4
327.90533	0.5
387.20822	0.6
582.21387	0.5
598.27466	7.0
599.29150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
57.03315	0.7
58.02850	0.5
59.01246	6.4
61.98700	2.3
67.01749	0.5
68.99677	0.3
69.03326	0.8
69.96873	1.7
71.01248	4.0
72.99159	0.9
73.02813	1.8
75.00295	0.4
75.00745	10.5
81.03329	13.1
82.03649	0.4
83.01230	0.6
83.04893	39.7
84.05227	1.1
85.02840	2.0
87.00739	1.1
89.02332	2.0
93.03316	1.8
95.01266	0.8
96.95892	3.0
97.02863	0.5
98.20546	0.4
99.00789	0.6
100.07554	5.3
101.02305	1.9
102.01858	0.4
107.01242	0.4
108.02039	2.1
109.02849	1.8
111.00754	0.6
111.04405	0.6
113.02341	1.9
119.03378	0.8
119.04895	0.6
121.02828	0.8
123.00789	0.5
123.04398	0.5
124.01518	0.5
125.02316	1.4
126.05486	1.0
127.03844	0.6
131.95493	0.3
133.02869	0.8
133.04909	0.4
134.03651	1.2
135.04437	2.5
135.91887	0.3
136.01563	0.7
136.04744	0.4
137.02364	2.0
139.00261	0.5
139.03842	0.4
141.04025	0.4
145.02824	0.5
149.02325	1.4
149.05951	0.5
149.99452	0.4
150.03064	0.5
151.00243	1.9
151.03893	1.0
152.01067	2.6
153.01874	1.7
153.71976	0.4
155.03394	0.5
160.01569	0.5
161.02312	1.4
163.03900	0.8
164.04645	1.0
165.01796	0.9
165.05540	1.7
166.02591	0.5
167.03488	0.8
168.00591	0.6
173.04459	1.2
175.00307	0.4
175.03894	1.0
177.05551	0.4
178.02625	0.6
179.03371	1.5
179.07039	0.6
180.04163	0.5
181.04988	0.6
182.15454	0.4
183.02910	0.3
190.02631	0.8
191.03517	0.3
191.05441	1.6
193.04958	1.2
194.05717	0.4
195.06516	0.7
199.03896	0.4
199.13292	0.7
199.18088	7.2
205.04987	1.0
209.04494	0.7
209.08047	0.4
223.06071	1.4
224.06854	1.0
224.17583	0.7
225.07678	2.7
225.16034	8.6
239.09221	3.7
243.17094	21.1
244.17436	1.1
269.14990	1.4
274.18774	0.4
284.03189	0.4
285.03986	3.0
287.05710	0.4
289.06430	0.4
293.12396	0.6
309.21823	1.1
315.07330	0.4
353.20795	6.9
354.21011	0.5
383.11389	0.4
397.13644	0.4
435.09454	1.2
435.16556	2.9
436.16611	0.4
451.32782	2.0
452.31802	0.4
469.33942	13.7
470.34277	1.8
517.19562	0.5
537.32849	0.5
552.31079	0.3
579.37646	2.8
580.37946	0.4
597.38672	100.0
598.14911	0.7
598.38983	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	597.3276
Annotation	Cyl-2
Peak:m/z	Relative Intensity
55.01732	0.4
57.03314	2.6
59.01248	9.4
61.98692	0.3
64.86918	0.3
69.03329	1.1
71.01247	7.2
71.21346	0.3
72.99188	0.6
73.02821	1.4
73.35526	0.4
81.03350	0.4
83.01258	0.7
83.04897	0.7
85.02813	2.9
85.90299	0.3
87.00749	0.4
89.02310	3.9
95.01278	0.4
96.95871	0.4
97.02824	0.7
97.06451	1.2
99.00764	0.5
101.02319	4.1
109.02847	0.4
109.06454	0.3
109.48499	0.4
111.08034	3.2
113.02312	2.8
119.03376	0.9
119.89426	0.3
125.02271	0.5
133.02797	0.3
134.03601	0.4
137.09601	0.6
161.02342	0.4
163.11215	0.8
164.04680	0.5
165.12752	28.4
166.13060	1.7
173.09355	0.3
175.03931	0.3
177.05554	0.3
179.03421	0.4
181.12238	0.5
183.13817	100.0
184.14162	5.4
190.02533	0.4
191.10686	0.6
193.37479	0.3
194.05684	0.5
195.13837	0.5
197.15442	0.9
207.13823	0.6
209.08112	1.1
209.11754	6.6
225.14827	3.0
227.12828	26.1
228.13158	1.2
253.18054	2.2
297.00949	0.4
369.19177	1.6
370.19180	0.5
375.08615	0.4
377.96130	0.4
383.04572	0.3
387.20175	8.4
388.20651	0.7
597.32776	64.1
598.33167	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	597.3281
Annotation	Cyl-2
Peak:m/z	Relative Intensity
50.56665	0.5
54.85393	0.4
55.01749	0.7
57.03323	3.1
59.01255	12.8
61.98703	1.2
64.23624	0.4
69.03330	1.4
71.01256	10.8
71.04883	0.6
71.15176	0.8
72.99173	1.5
73.02808	2.0
73.90186	0.4
78.93220	0.4
78.99525	0.4
83.01257	1.5
83.04887	1.0
85.02829	5.3
87.00753	1.0
88.98682	2.3
89.01807	0.7
89.02313	6.2
93.03343	0.8
95.01260	1.3
95.04918	1.0
96.95087	0.4
96.95851	0.6
97.06474	1.8
99.00745	0.8
101.02320	6.7
108.02073	0.6
109.02831	1.0
109.06490	0.7
111.08047	4.9
113.02336	5.0
114.88557	0.4
119.03397	2.3
121.06482	1.7
125.02341	0.6
134.03644	0.5
135.04443	0.5
137.02350	1.0
137.09595	0.9
141.04066	0.5
143.03435	0.5
147.11693	0.7
151.11227	0.5
152.00999	0.8
152.08289	0.6
157.37891	0.4
160.01578	0.7
161.02359	0.6
161.04477	0.5
163.11186	1.1
165.12764	38.1
166.13112	1.8
171.10197	0.5
181.12241	0.8
183.13829	100.0
184.14148	5.4
190.02574	0.8
191.10703	0.7
193.04974	0.8
195.13873	0.9
196.96008	0.4
197.15376	1.1
197.98389	0.4
207.13864	0.8
209.11792	7.2
210.12181	0.6
225.14919	4.2
227.12849	27.8
228.13293	1.3
268.03613	2.5
269.04565	6.0
270.04953	0.6
275.58365	0.4
285.04056	0.6
311.05698	0.4
331.56009	0.5
369.19278	2.2
387.20273	16.9
388.20599	1.9
431.09808	3.1
432.10089	0.7
435.00369	0.5
553.34558	0.6
597.32849	77.6
598.33331	13.4
601.15619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1826
Annotation	Catechin 3-O-rutinoside
Peak:m/z	Relative Intensity
50.32307	0.6
50.73465	0.7
57.03311	2.7
59.01234	3.1
65.00175	1.7
71.01241	2.0
75.00729	1.8
81.03312	7.6
83.01245	11.5
85.02811	1.5
89.02274	1.0
93.03336	3.8
95.01261	2.1
95.04183	0.6
95.04896	2.8
97.02818	1.8
98.19991	5.3
98.20680	1.0
98.76746	0.7
99.04389	1.3
107.01244	2.3
107.04887	1.3
109.02869	5.6
111.04398	1.8
113.02299	2.1
119.04888	3.5
121.02850	2.2
123.04398	32.5
125.02328	41.5
135.04399	9.3
136.04739	2.9
137.02321	3.4
137.05965	2.9
139.03918	4.3
147.04390	0.9
149.02312	2.4
149.05922	1.0
151.00273	8.1
151.03847	1.8
152.00662	2.3
153.00674	1.6
153.01831	1.3
161.02362	0.8
161.05954	0.9
163.03920	2.6
163.07565	0.8
164.04654	1.0
165.01817	1.8
165.05444	3.7
166.02629	1.1
167.03400	100.0
168.03703	3.7
177.05486	1.3
179.03427	5.7
180.03976	0.8
181.04904	1.3
187.03966	1.4
189.05492	3.4
191.03372	2.2
191.05385	0.7
193.04994	1.3
197.04533	0.9
203.03363	0.7
203.07234	1.2
207.06601	1.0
209.04489	12.4
217.05069	0.8
221.04462	2.5
223.06158	1.3
227.07124	1.4
239.05569	4.7
245.04510	1.2
245.08160	3.2
251.05531	1.6
265.07028	0.8
271.06152	5.2
273.07681	2.2
284.03232	1.6
285.03827	2.6
286.04099	1.9
287.04532	2.1
288.04767	1.3
289.07153	83.2
290.07468	6.0
313.06802	1.1
315.08768	7.2
327.08682	3.3
341.10275	1.0
345.09787	2.9
357.09747	41.3
358.10129	3.2
369.09747	2.4
387.10806	32.0
387.55728	0.9
388.11057	3.2
399.10880	2.4
417.11914	9.0
459.12659	3.8
460.11749	0.8
461.11975	2.0
477.14008	8.3
489.14081	2.1
596.16730	1.6
597.16980	15.8
598.17383	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	597.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01491	2.9
59.01247	3.3
60.09457	3.1
69.70016	8.6
69.70432	13.3
83.01292	5.6
85.02811	6.1
87.00748	35.5
87.45158	2.8
91.10711	3.1
93.03326	4.8
93.39895	3.5
97.02784	3.0
98.20480	3.0
99.00773	3.2
101.02325	3.8
109.02846	6.1
111.00761	48.4
112.47572	3.0
116.98088	3.0
120.13280	3.1
121.02844	7.4
122.03613	11.7
129.01826	3.7
137.02345	4.2
149.02351	22.5
150.03127	100.0
151.03822	9.8
161.02339	6.7
164.04716	14.4
165.05490	96.4
166.02592	4.4
176.04749	3.1
179.03398	9.3
179.07060	12.4
180.04164	6.6
181.04912	5.7
191.05460	5.4
194.05737	6.3
195.06569	30.5
209.08121	9.2
249.04012	5.0
249.07671	7.6
250.07979	3.6
264.06354	11.0
265.07089	7.4
289.07184	13.6
337.09241	11.0
346.73849	3.3
413.12393	6.0
461.14526	55.3
462.14932	5.5
487.16278	3.9
553.30469	4.4
597.18311	81.5
598.18250	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	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39181	1.7
57.03321	2.8
59.01246	11.6
67.90502	1.7
69.88194	9.5
71.01254	10.5
72.99179	1.6
73.02790	3.8
75.00749	1.7
81.03305	1.8
83.01233	4.6
85.02815	6.8
86.89983	1.6
87.00746	83.2
89.02298	2.7
93.03328	6.0
96.95883	2.5
97.02868	2.4
99.00767	3.3
100.01517	2.4
101.02335	4.2
101.47118	1.9
109.02824	3.4
111.00750	11.5
112.98685	4.4
113.02315	2.2
118.71960	1.8
121.02832	5.4
122.03615	13.6
123.00753	7.1
123.04412	2.9
125.02342	3.8
127.03902	2.6
133.02802	2.9
135.04398	3.4
136.64172	1.7
137.02330	5.4
138.03159	1.8
142.99780	4.4
149.02347	22.1
150.03123	93.5
151.00313	5.0
151.03815	5.4
152.01028	2.3
153.01822	2.8
153.05447	1.9
153.46303	1.8
155.03333	2.2
161.02357	5.5
163.03925	3.3
164.04628	12.1
165.05470	100.0
166.02602	5.5
166.05824	5.2
167.03381	5.6
168.85358	1.7
171.17705	1.9
173.00848	4.6
174.01601	3.3
175.03835	2.8
176.04581	3.5
178.06253	2.5
179.03426	10.5
179.07066	5.9
180.04216	9.3
181.04968	7.3
190.02708	2.6
191.03404	8.4
191.05504	6.6
191.07065	2.7
193.04945	2.4
194.05742	6.6
195.06552	42.7
196.06891	1.6
198.94276	1.7
203.03496	2.7
205.04999	4.2
206.05717	2.3
209.08156	4.2
219.02945	2.4
221.04572	2.0
221.08147	3.5
234.05167	1.5
247.02545	3.0
249.03951	2.1
261.04089	2.2
262.04901	5.2
264.06229	3.4
265.07169	7.0
276.06384	3.2
277.07214	10.9
278.07562	1.7
314.09650	1.8
322.06757	1.6
327.12347	2.2
337.09210	24.4
338.09421	1.9
399.14523	4.8
434.65375	1.7
461.14526	22.8
462.14703	1.9
462.39380	1.7
521.16956	2.2
533.17712	1.8
549.80566	1.8
579.17236	6.8
597.18030	64.1
598.18451	6.7
623.43451	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43531	5.7
57.03315	4.8
59.01247	100.0
61.98701	14.1
69.03329	6.4
71.01257	53.8
71.59478	5.1
72.99167	12.0
73.02826	18.3
75.00748	20.7
79.97719	5.2
81.03325	6.2
83.01273	11.3
85.02833	36.6
87.00751	28.6
87.95096	4.7
89.02307	25.3
91.01814	8.0
93.03345	20.4
95.01258	6.6
95.06240	5.2
96.95905	15.4
97.02848	6.4
99.00774	7.6
101.02305	29.8
108.02062	16.2
109.02832	34.6
111.00806	6.4
113.02327	28.9
119.03436	7.1
119.04921	14.3
121.02850	13.9
123.00803	8.5
123.04393	15.2
124.01515	5.3
125.02349	12.5
129.01891	6.2
133.02831	10.0
133.05025	5.4
134.03606	14.9
135.00772	10.6
135.04436	19.1
137.02364	25.8
141.04063	7.9
145.02864	11.2
147.04424	7.4
149.02327	18.0
149.05992	9.6
149.21747	4.7
150.03064	11.4
151.03912	14.4
152.01060	27.1
153.01842	37.2
160.01564	8.2
161.02368	6.5
161.04489	11.7
163.03922	11.8
164.04649	17.7
165.01839	9.3
165.05461	16.1
167.03426	13.3
168.00569	6.3
173.04523	11.1
175.00333	11.9
175.03911	14.1
179.03354	11.5
185.00780	8.2
189.01913	8.0
190.02646	22.2
191.03253	7.1
191.05519	28.1
193.05005	9.8
195.06549	7.5
197.04620	4.9
203.03433	5.1
205.04985	20.2
209.04623	6.4
223.06061	21.3
224.06516	5.9
225.07693	14.6
239.09106	9.1
267.07095	7.6
269.04553	11.0
285.04028	7.5
289.07355	7.5
289.14578	5.0
307.17593	12.7
331.06613	6.6
341.06812	9.3
346.07388	5.4
389.17972	5.9
390.18289	10.5
391.19022	9.5
429.10327	10.5
435.10883	10.7
435.16571	7.4
496.46060	6.3
587.44281	5.5
597.23962	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	597.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29391	1.4
57.80312	1.6
59.01239	6.4
71.01236	11.5
71.58245	2.5
71.58631	2.0
73.02802	7.4
75.20708	1.7
83.01244	2.3
85.02814	5.4
87.00751	30.6
89.02309	3.0
93.03349	5.3
96.95901	2.0
97.02798	1.9
99.00738	4.2
100.01527	4.1
101.02328	2.1
108.02080	5.1
109.02816	2.9
111.00759	15.9
112.98645	5.7
113.02269	2.2
121.02821	4.9
122.03648	10.3
123.00754	6.2
123.04424	3.1
125.02319	1.7
129.01819	1.6
133.02846	3.7
136.01588	2.0
137.02342	5.0
142.99739	3.6
149.02325	25.7
150.03116	84.0
151.00235	3.1
151.03922	8.1
152.01065	3.1
153.01796	1.9
161.02328	4.0
163.03874	2.6
163.10564	1.7
164.04674	8.8
165.05476	100.0
166.02608	6.7
166.05840	4.2
173.00867	7.6
174.01680	3.0
175.03986	2.3
176.04678	4.0
178.06291	2.1
179.03381	5.3
179.07040	5.9
180.04158	7.2
180.13545	1.8
181.04976	8.3
191.03400	6.8
191.05132	1.7
191.07050	3.7
194.05725	6.2
195.06551	43.1
205.05060	3.2
206.05838	3.7
209.04604	2.5
209.08116	5.9
220.03484	1.9
221.08150	7.7
233.04643	1.9
234.05330	3.2
247.02429	4.1
249.04085	2.2
249.07599	4.0
261.03955	4.6
262.04745	8.9
264.06302	4.8
265.07129	6.5
271.09839	2.0
276.06308	2.8
277.07101	12.9
295.08316	1.8
322.07178	2.2
337.09268	36.7
355.10446	2.5
369.13327	8.5
370.13617	2.5
413.12390	6.1
461.14548	30.8
462.14792	3.2
473.14447	4.0
521.16412	2.6
522.16467	1.7
533.16852	5.7
579.17035	17.0
597.18219	79.5
598.18726	11.0
621.31128	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	595.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.9
57.03314	2.0
58.10714	0.8
59.01252	12.5
61.98693	2.7
64.84913	0.7
68.68646	0.6
71.01244	8.6
71.58938	0.9
72.99168	1.0
73.02812	2.0
78.37249	0.7
83.01260	1.1
83.04877	0.8
85.02826	7.0
87.00774	1.4
89.02323	2.3
93.03334	2.9
93.35944	0.7
95.01271	1.5
96.95869	0.8
97.02829	1.4
97.06477	1.4
97.91463	0.6
99.00774	0.7
101.02335	3.5
109.02835	1.2
111.08038	3.2
113.02326	2.9
119.03423	1.3
119.04919	1.9
121.02806	0.8
129.01811	0.7
133.02827	1.5
134.03650	1.7
135.00854	0.8
135.04393	0.7
137.02313	3.1
138.06750	1.3
149.02408	1.1
151.07579	0.9
152.08282	2.0
153.01659	0.6
153.09099	4.2
161.04425	1.2
163.03894	0.9
163.11205	0.8
164.04669	0.8
165.12755	24.0
166.13179	0.8
171.10146	0.8
173.04454	1.6
174.82880	0.7
175.03857	1.5
177.01842	1.0
178.02557	1.4
181.12141	0.7
183.13823	100.0
184.14127	5.8
190.02661	1.7
191.05492	0.8
197.11816	0.9
197.15439	0.9
203.03513	0.7
205.05020	1.8
205.12234	3.9
209.11745	7.1
223.13286	2.0
225.11179	0.8
225.14856	0.9
227.12830	26.7
228.13249	2.4
269.04510	0.8
285.03986	2.2
286.04218	1.2
287.04614	1.6
328.65222	0.8
577.23175	0.9
595.15527	2.4
595.31207	70.5
596.31622	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04807	0.4
50.21795	0.4
51.86020	0.4
52.36462	0.4
57.03322	3.1
57.46575	0.4
58.00480	0.7
59.01251	7.1
61.98690	1.5
69.03332	1.2
69.89822	0.9
69.90223	1.6
71.01250	8.2
72.99164	0.5
73.02821	1.2
83.01254	1.1
83.04897	1.4
85.02827	3.7
87.00725	0.6
89.02327	2.2
95.01248	0.5
97.02839	0.6
97.06464	1.7
98.20518	0.8
99.00725	0.6
101.02308	2.8
107.34598	0.5
109.02856	0.5
109.06470	0.8
110.94464	0.5
111.08034	5.1
113.02344	2.7
119.03426	1.2
125.02247	0.4
134.03659	0.4
135.04385	0.6
138.06779	1.5
139.07561	1.1
141.90204	0.4
147.11693	0.4
149.02371	0.5
151.07570	1.5
152.08359	1.5
153.09111	6.2
161.04463	1.3
161.09608	0.7
163.11217	2.0
165.12762	45.3
166.13116	2.5
167.89410	0.4
169.14967	0.4
178.06386	0.6
178.23235	0.4
179.05530	0.5
181.12309	1.0
183.13829	100.0
184.14166	4.6
190.02634	0.8
191.05603	0.6
191.10689	1.4
197.15326	1.3
205.12280	4.5
209.11754	8.7
210.12135	0.5
220.19563	0.5
223.13376	1.3
227.12836	26.2
228.13123	1.4
279.02924	0.5
284.03326	0.6
285.03970	1.2
286.03998	0.5
287.05090	0.5
290.59647	0.5
385.18539	2.1
537.93878	0.5
595.31244	82.1
596.31531	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	595.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.4
59.00948	0.8
59.01245	16.4
61.98693	0.7
69.03313	2.2
71.01250	13.9
72.99181	0.6
73.02815	3.3
75.00709	0.9
76.93935	0.6
78.95739	0.7
83.01240	1.3
83.04903	1.2
85.02809	9.1
87.00740	1.6
87.92533	0.7
89.02316	8.0
90.93253	0.7
93.03336	1.0
95.01245	2.4
95.04894	0.8
96.95940	0.7
97.02821	1.1
97.06460	2.0
97.72198	0.6
99.00733	1.0
101.02316	8.1
109.02858	0.8
109.06473	1.0
111.04360	0.7
111.08025	5.3
113.02326	19.1
114.02625	0.8
119.03348	1.9
121.02789	1.4
125.02312	0.8
131.03365	0.9
133.02808	0.7
134.03596	1.6
135.04436	1.5
137.02325	0.9
143.03366	1.5
149.02345	0.8
153.09085	2.5
160.01567	1.1
161.04451	8.6
164.04688	0.8
165.12750	44.4
166.13062	2.1
167.14346	1.0
173.04437	0.8
175.00185	0.7
175.03851	1.0
179.05525	1.8
179.14485	0.8
181.12270	1.9
183.13817	84.1
184.12717	0.6
184.14128	5.0
190.02660	0.9
191.05556	1.0
191.10667	0.7
195.13870	1.0
197.15411	8.1
205.12312	3.1
207.13820	5.3
209.11746	9.4
211.13206	0.7
225.14897	8.7
227.12828	100.0
228.13159	5.9
251.12811	6.1
263.12640	0.7
266.41443	0.7
269.13913	17.2
281.13855	0.8
285.03931	2.4
286.04285	1.3
287.04672	1.4
299.14893	2.2
329.15979	4.2
371.17096	1.4
385.18555	1.5
389.18146	19.2
390.18512	2.1
437.07681	0.8
518.87280	0.8
595.15576	2.3
595.31281	25.2
596.32031	3.7
598.16162	0.7
607.08197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2889
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
54.30828	0.7
57.56924	0.7
58.72162	0.7
68.68203	0.7
71.34881	1.0
71.35210	0.9
74.88235	0.8
78.95773	72.5
92.18561	0.7
96.96838	12.9
103.64531	0.7
115.91936	0.8
119.95712	0.7
150.97908	1.2
152.99487	100.0
153.99840	1.2
171.00554	2.9
176.70126	0.8
207.09756	0.8
209.11635	0.8
223.00081	9.6
241.01140	28.4
259.02136	1.8
275.06259	1.0
279.23279	67.8
280.23660	7.0
315.04865	17.5
333.05719	1.2
441.89606	0.9
469.37302	0.9
579.33124	0.9
595.28845	91.8
596.29260	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	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35467	0.8
59.01246	2.5
71.79556	0.8
78.95772	81.6
80.91545	4.1
96.96835	16.4
98.20572	1.5
117.90883	0.8
152.99481	67.2
159.75832	0.9
185.26859	0.8
209.11684	5.5
223.00066	2.0
241.01134	37.2
242.01588	1.0
275.06107	4.3
277.21860	5.2
279.23267	79.1
280.23611	5.7
285.03961	1.2
311.22162	2.4
315.04831	13.4
359.22180	1.7
391.19678	2.6
415.22540	5.5
436.06009	0.9
532.90723	1.1
535.27484	2.0
595.28845	100.0
596.29144	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	595.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.4
57.03320	2.0
59.01249	100.0
61.98699	24.5
66.76586	1.4
71.00929	1.6
71.01253	14.9
72.08529	1.2
72.99163	3.9
73.02805	4.3
75.00726	1.7
78.27413	1.3
82.57992	1.2
83.01271	4.0
85.02815	18.0
87.00743	5.0
88.98668	3.6
89.02287	5.4
93.03327	5.1
95.01289	1.8
96.95888	4.4
97.02824	1.4
99.00736	1.6
101.02322	8.5
108.02020	3.0
109.02834	1.9
111.00803	2.9
113.02328	10.2
119.04910	1.6
121.02787	3.3
123.04363	1.6
124.01517	1.8
125.02351	6.4
125.03095	1.3
125.09645	1.5
129.01799	4.1
134.03595	2.8
135.04352	3.5
137.02287	4.5
137.05901	1.4
143.03366	1.4
147.02933	1.2
149.02313	5.5
151.00278	1.8
152.01021	1.4
161.02327	1.8
161.04440	7.3
163.03900	14.1
164.04626	5.2
165.12747	6.4
165.81668	1.5
166.35095	1.1
167.14244	1.6
168.00610	1.3
173.04376	2.8
175.00276	10.0
178.06247	10.0
183.13843	15.9
184.14122	2.2
189.05367	1.3
190.02635	22.6
191.03313	4.2
191.05498	4.8
193.08618	29.7
194.08975	2.0
197.11763	13.2
197.15440	1.8
205.03391	3.3
205.05057	19.0
207.13680	1.6
208.03773	1.4
209.11691	4.2
211.13411	1.3
214.06224	1.7
223.04292	3.4
223.06076	5.5
225.14865	2.1
227.12816	31.6
228.13167	2.9
269.13864	4.2
285.03986	4.9
286.04282	2.6
287.04871	1.6
304.24734	1.5
371.16943	2.4
373.16397	1.5
389.18295	9.4
397.13510	7.4
415.14691	4.0
595.15143	2.4
595.24554	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
57.03314	0.5
58.00457	0.3
59.01247	8.7
61.98706	0.8
69.03336	0.4
71.01249	4.1
71.58649	0.5
72.99178	0.7
73.02822	1.3
75.00745	0.6
77.03823	0.2
78.95775	0.2
81.03320	0.2
83.01268	0.7
83.04916	0.4
85.02821	2.4
87.00756	0.6
88.98668	0.3
89.02316	2.3
92.14864	0.2
93.03338	0.6
95.01270	0.4
96.95892	0.6
97.02834	0.5
99.00700	0.5
101.02317	3.0
103.03885	2.1
108.02070	0.5
109.02871	0.5
111.00765	0.5
111.04409	0.3
113.02321	0.8
113.17850	0.2
118.11819	0.2
119.03371	1.1
119.04884	0.3
121.02839	100.0
122.03159	3.2
123.00757	1.0
123.04384	0.6
124.01572	0.3
125.02338	3.4
127.03904	0.3
128.21973	0.2
129.01817	0.3
133.02847	0.3
133.05013	0.2
134.03584	0.6
135.04391	0.6
137.02347	0.7
139.03963	0.2
141.45923	0.2
143.03441	0.3
145.02794	0.4
145.04982	0.4
147.04466	0.2
149.02307	1.2
151.00340	0.4
152.01068	0.6
153.01874	0.4
155.03421	0.3
160.01561	0.4
161.02338	0.4
161.04539	0.2
163.03961	0.4
163.06023	2.9
164.04709	0.9
164.07153	0.2
165.01830	0.3
165.05534	0.2
166.05087	0.3
167.03389	0.4
168.00578	0.6
173.04482	0.5
175.00284	1.3
175.03867	0.3
176.00647	0.3
179.03459	0.2
179.07031	0.2
190.02615	2.4
191.03134	0.3
191.05586	0.4
193.05006	0.2
205.03407	0.2
205.05040	2.4
206.05440	0.4
223.06096	1.5
224.06519	0.3
227.06979	1.1
228.07739	0.2
234.68123	0.2
247.08151	0.6
269.04587	0.3
271.06055	0.2
273.12500	0.3
277.84909	0.2
285.04019	0.9
286.04202	0.5
287.04727	0.6
301.11069	0.2
307.10330	3.4
313.05585	0.3
367.10141	0.3
379.10168	0.3
429.13934	6.8
430.14331	0.9
462.89767	0.3
491.32016	0.7
497.17798	0.9
571.61047	0.3
578.20520	0.3
595.14636	0.6
595.27667	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	595.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.1
58.00462	2.1
59.01253	77.6
65.03867	1.3
69.03323	3.6
71.01253	37.5
71.46693	2.7
72.99154	1.9
73.02827	13.7
81.03323	2.1
83.01241	4.2
85.02826	13.5
87.00764	3.0
89.02322	19.7
93.03341	76.5
94.03683	2.6
95.01274	3.8
97.02859	6.1
99.00729	2.1
101.01688	2.1
101.02328	28.2
103.03892	23.3
107.04907	5.2
108.02018	2.4
110.91830	1.2
111.00802	1.6
113.02335	5.5
115.03916	1.5
119.01279	6.1
119.03380	13.0
121.02849	50.3
122.03197	2.8
123.00755	1.4
123.01579	1.3
125.02342	23.2
127.03901	3.2
129.01761	1.6
131.03369	1.5
131.65836	1.4
133.04973	1.9
134.03648	1.4
135.04445	1.7
136.01559	2.4
137.02347	81.0
138.02742	1.7
143.03441	2.1
145.04956	3.7
147.00761	2.6
147.26910	1.4
149.02353	21.5
150.02670	5.3
151.00256	2.5
151.02812	1.5
151.03915	2.7
161.02309	1.6
163.03902	2.4
163.06053	17.6
164.04716	24.7
165.05031	9.0
166.05214	3.1
175.00276	27.7
176.00645	7.8
177.00722	2.6
179.03343	3.3
179.07077	4.5
180.07372	1.3
190.02652	71.5
191.03009	20.3
192.03151	9.7
197.06036	11.9
198.06474	1.4
199.07578	7.0
205.05023	74.1
205.07008	3.3
206.05353	23.0
207.05536	10.2
223.06081	42.1
224.06387	16.7
225.06685	7.8
227.07101	100.0
228.07426	6.8
235.05388	1.3
247.08257	8.6
281.06512	3.8
285.03986	10.4
286.04364	8.4
287.04752	6.9
307.10419	12.4
340.00446	1.3
345.25815	1.5
427.12427	32.2
428.12756	3.6
457.92755	1.4
497.17429	1.8
594.26166	5.2
595.13922	5.5
595.26935	72.9
596.27667	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	595.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
56.46238	0.6
57.03315	0.8
59.01246	7.3
64.63313	0.6
65.00195	1.4
66.02711	0.6
67.01746	1.2
67.35266	0.6
68.67466	0.7
69.03333	1.0
71.01254	9.5
71.35326	0.7
71.40324	0.6
72.99176	1.6
73.02813	1.8
75.00733	1.5
81.03302	0.9
83.01255	2.2
85.02824	5.2
87.00753	2.6
89.02306	2.9
91.01756	2.0
91.77142	0.6
93.03342	6.5
95.01250	1.4
96.95891	1.3
99.00756	1.9
101.02315	3.0
107.01242	1.6
108.02048	1.1
109.02809	1.8
111.00727	0.8
113.02328	4.9
119.01254	7.4
119.04921	1.2
121.02826	8.8
123.00777	0.9
123.04336	0.9
125.02371	3.4
128.41568	0.6
129.01770	0.8
132.02060	1.5
133.02859	1.7
134.03577	2.0
135.04396	8.2
137.02370	6.2
138.03197	0.6
139.00217	1.1
139.03900	0.7
141.01686	0.6
147.00775	4.5
147.04414	4.7
149.02335	59.4
150.02805	2.4
151.00276	5.0
151.03955	1.7
152.01001	2.3
152.04663	1.7
153.01750	1.5
153.05513	1.1
161.02380	1.5
162.03094	1.8
163.03949	3.0
164.04692	53.9
165.01828	2.4
165.05156	2.9
166.02567	0.6
166.06229	0.8
167.03366	1.5
167.06938	1.4
168.00572	1.4
173.04460	2.6
175.00272	38.6
176.00839	2.7
177.01878	1.2
177.05534	0.9
179.03389	2.8
179.05621	0.9
179.07039	4.8
189.01855	1.1
190.02629	81.3
191.03148	5.6
191.05429	5.4
193.01395	1.0
193.04950	1.1
197.04381	0.8
205.04988	65.3
206.05286	3.1
208.03659	2.0
209.04393	1.7
209.08221	1.0
212.06776	1.9
217.04912	0.7
222.05214	0.7
223.06055	100.0
224.06415	4.7
227.09151	2.2
233.04347	0.7
249.06302	1.4
261.43799	0.6
265.07159	0.8
267.07120	1.1
269.04459	0.8
284.03241	2.8
285.03955	12.3
286.04276	10.0
287.04602	11.1
287.08990	0.8
298.04947	0.8
309.06802	0.7
327.08694	1.0
327.15921	0.6
328.09464	0.8
343.11890	1.5
346.06009	0.6
371.13342	4.0
389.15909	3.6
433.15121	1.3
461.05032	0.7
535.31934	0.6
568.40710	0.7
580.17175	0.8
595.19849	29.3
596.21674	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	595.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61748	1.5
57.03323	5.2
59.01252	5.9
65.00200	2.0
69.31753	12.4
81.03329	11.0
83.01264	4.3
85.02838	2.0
93.03336	5.1
95.04905	4.8
96.29552	1.5
97.02839	3.9
98.20554	2.9
99.04382	6.3
101.02341	1.7
103.03897	1.5
105.03325	2.6
107.01272	3.7
107.04922	1.8
109.02853	3.0
117.03340	25.3
121.02848	6.2
123.04444	4.7
124.01535	2.0
125.02338	44.3
125.03242	2.5
126.02719	1.6
133.02927	1.9
135.04453	2.9
135.89529	1.3
137.02339	7.2
138.03075	3.2
139.03931	4.1
149.02339	100.0
150.02690	2.6
151.00252	9.0
151.03911	2.2
153.01828	3.3
161.02388	5.8
163.00333	1.7
165.01778	1.9
166.02649	8.0
167.03404	56.4
168.03717	2.0
175.00310	2.9
178.99808	6.1
179.03418	7.3
185.95033	1.5
191.03468	8.6
191.05434	2.0
197.04445	8.4
206.02180	3.9
209.04594	1.9
217.01408	4.8
225.05563	2.0
235.02449	2.1
235.30212	1.6
243.06766	1.5
259.06064	23.4
259.08737	1.4
269.04437	24.1
287.05551	10.1
311.05688	7.9
313.09271	72.1
314.09778	5.1
329.06561	6.4
343.04559	1.9
348.52850	1.6
353.06631	2.0
359.07938	3.2
381.08295	9.3
415.12494	1.8
433.13489	38.4
434.14041	3.1
475.12735	18.6
476.13611	2.8
501.12759	1.8
505.09866	3.7
554.67755	1.5
595.16693	53.2
596.17010	10.8
609.08673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1303
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
54.37384	1.5
55.74907	1.3
56.75410	1.4
59.01230	6.1
63.69049	1.6
67.01759	2.6
68.42487	1.4
68.99649	1.7
69.03299	1.5
70.92305	3.7
71.01237	6.1
73.02773	2.0
75.00732	2.5
79.01724	2.1
81.03342	1.5
83.01223	3.8
85.02802	2.9
87.00729	2.9
93.03323	10.8
95.01243	5.3
97.02792	2.6
99.00706	1.3
101.02317	2.5
105.03328	2.6
107.01261	2.3
107.04930	2.2
109.02823	3.7
111.00732	2.6
111.04385	2.4
112.90999	1.4
113.02306	3.2
117.03365	9.0
119.04868	4.3
121.02864	7.1
123.00748	2.8
123.04357	3.6
125.02333	8.6
129.01767	2.1
133.02800	5.9
135.00739	2.4
135.04411	7.2
137.02307	6.6
139.03824	3.2
147.04382	4.1
149.02322	10.2
150.03091	2.6
151.00240	2.9
151.03835	5.1
153.01820	5.5
155.03438	2.0
159.04387	2.3
161.02267	6.2
161.05966	2.1
162.03067	1.6
163.00224	3.6
163.03877	6.7
165.01790	8.0
165.05392	4.4
166.02594	2.0
167.03365	6.5
173.04442	3.8
175.03926	7.2
177.01862	11.4
177.05412	2.6
178.02455	1.6
179.03389	7.9
180.04185	2.4
181.01302	1.6
183.02980	1.8
187.03876	2.5
189.01814	6.5
190.02533	2.0
191.03348	10.0
191.05467	6.4
193.01286	6.8
193.05057	2.5
195.02881	3.1
197.04408	2.1
199.03871	1.7
201.05482	2.4
203.03317	5.4
204.47939	1.5
205.01306	5.1
205.04962	3.8
206.02058	2.5
207.02867	5.1
209.04346	4.0
213.05434	2.9
217.01280	4.0
217.04916	1.7
219.02835	5.8
220.03574	1.9
221.00714	3.2
221.04329	3.1
222.01660	1.7
223.02310	3.1
225.05673	2.2
226.00681	1.5
229.04930	2.0
231.02983	2.6
233.04555	3.7
235.02441	7.5
239.05391	2.6
241.05037	1.8
243.02939	2.2
245.04437	2.5
247.02356	6.6
249.04018	4.3
253.05072	1.6
257.04446	4.8
259.05991	3.3
263.01944	2.6
265.03391	7.9
269.04492	3.7
271.05841	2.4
277.03500	5.2
281.04504	2.4
282.05078	3.4
283.06033	5.5
285.03864	6.4
286.04337	3.0
287.05603	3.1
295.04614	1.8
295.05640	1.7
297.03943	4.5
297.07507	5.5
298.04727	9.8
299.05252	10.1
300.05353	6.4
307.04727	2.4
309.03702	2.0
310.04507	3.4
311.05518	8.4
312.05783	2.5
313.03262	2.2
313.06912	2.4
314.04233	4.9
315.04962	3.6
323.05490	3.1
325.06808	2.6
327.04858	7.2
328.05475	5.8
329.06171	3.6
337.03207	2.2
339.05026	10.8
340.05002	2.2
341.06436	6.6
343.04483	4.7
351.04968	2.8
353.06702	19.9
354.06992	4.4
355.04340	2.7
357.05905	4.6
367.04520	5.2
369.06113	9.2
371.07562	2.5
373.05386	2.1
381.05884	2.1
383.07407	6.0
385.05362	15.7
387.07172	2.8
395.07547	1.9
397.05630	5.1
399.07623	3.1
401.08798	1.8
415.06540	15.9
427.06311	2.3
429.07855	6.6
429.13110	1.7
430.08063	1.9
431.09549	3.5
443.09848	15.4
444.09766	1.9
445.07730	8.1
447.09442	1.5
457.07620	5.4
459.09308	7.4
462.07767	2.6
469.07541	1.8
473.10962	8.2
474.10825	4.3
475.08673	21.0
476.09644	2.0
477.10074	2.0
484.41980	1.7
487.08688	4.7
505.09882	24.6
506.09848	3.3
535.11292	3.0
541.45374	1.6
547.10236	1.9
559.10474	1.6
561.12543	6.5
562.13257	12.5
567.13342	1.9
577.12012	6.6
594.15198	3.4
595.13092	100.0
596.13300	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	593.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03479	1.3
51.03758	1.3
57.03316	3.5
59.01252	79.2
60.01593	1.3
61.98694	5.8
63.93395	1.5
68.59109	1.6
70.47058	3.5
71.01250	12.5
73.02818	2.9
73.53756	1.3
78.95776	2.2
79.99640	1.4
83.01269	2.7
83.04890	1.6
84.69717	1.3
85.02826	8.6
87.00728	3.0
89.02311	3.0
93.03329	2.3
99.00732	2.7
101.02316	7.3
109.02853	3.3
113.02313	7.9
117.03339	4.4
119.04893	3.4
121.02787	1.5
125.02301	1.8
133.02840	5.2
134.03590	1.8
137.02368	4.7
145.02856	15.9
149.02313	4.3
151.00253	3.3
151.95578	1.4
152.99556	1.6
153.49312	1.4
161.02373	2.8
161.04477	3.2
163.03918	3.7
175.03909	2.3
177.01862	1.9
185.05980	1.5
190.02664	4.1
191.05399	1.5
199.03874	2.4
205.04951	4.0
209.11865	1.9
211.13278	2.0
217.05019	1.9
223.04080	1.8
223.06097	2.6
255.02939	2.0
256.03583	2.0
269.04868	1.4
270.05353	8.8
284.03278	17.0
285.04080	100.0
285.07574	9.2
286.04312	8.1
307.08200	6.3
314.10077	1.4
345.30109	3.5
489.34430	20.4
490.34610	2.2
507.35452	3.7
553.19104	1.9
593.15149	56.5
593.26129	4.5
594.15381	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	593.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.3
57.03314	2.2
58.73341	1.1
59.01248	63.3
61.98697	3.8
69.03325	1.8
69.65068	2.3
69.65475	5.3
71.01250	17.0
72.99169	2.7
73.02824	5.1
75.00755	3.2
78.95779	2.4
83.01252	4.4
85.02814	12.2
87.00749	8.7
88.98605	1.3
89.02328	4.8
93.03343	4.1
95.01263	2.7
97.02816	1.4
99.00766	3.3
101.02316	9.8
107.01284	2.7
108.02074	3.4
109.02831	3.9
111.00735	1.9
113.02354	9.8
117.03327	1.4
119.04903	1.4
121.02843	3.1
123.00749	1.6
123.04425	1.4
124.01561	2.0
125.02343	4.3
127.79140	1.1
132.02049	1.4
133.02861	6.9
134.03654	1.4
135.04402	2.5
137.02344	4.4
145.02748	1.3
149.02341	7.2
149.99553	2.2
151.00262	6.1
152.01050	4.0
153.01852	2.5
160.01556	1.9
161.02298	1.6
161.04532	1.6
164.04643	5.5
165.05481	1.4
167.03453	1.5
167.07005	1.1
171.10129	1.4
175.00307	3.1
175.03929	3.3
177.01868	2.1
179.07069	1.8
183.10187	1.8
190.02660	11.8
191.03264	1.3
191.05473	2.3
193.05000	1.9
199.03992	2.6
205.04974	8.3
209.11729	1.8
223.06142	7.3
224.14088	1.1
241.14397	1.2
243.02937	1.2
247.06105	1.8
253.08980	1.1
255.03113	1.9
273.58212	1.0
281.12875	1.1
284.03195	19.6
285.04013	100.0
286.04462	9.0
345.29785	1.4
371.28076	2.7
402.29337	1.3
447.09280	1.2
489.34286	17.0
490.34677	2.6
507.35217	9.1
533.33319	40.4
534.33582	5.2
549.32098	2.1
593.15094	42.8
593.25995	9.9
594.15479	9.1
594.24524	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	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02597	0.4
59.01243	1.6
65.48255	0.5
66.51289	0.5
71.34589	0.9
78.95771	65.6
88.83279	0.5
96.96832	11.7
104.87112	0.5
126.04065	0.5
150.97882	1.0
152.99481	100.0
153.99831	1.1
159.20235	0.5
171.00534	2.7
173.67538	0.5
209.11711	0.7
223.00056	10.4
233.22876	0.6
240.00572	0.6
241.01134	24.1
242.01463	1.1
259.02267	1.1
275.20184	0.6
277.21707	43.9
278.22058	3.9
284.03207	1.1
285.04037	4.8
286.04160	0.6
315.04831	15.6
316.05185	0.6
333.05933	0.7
369.73270	0.6
425.72031	0.5
547.51105	0.6
593.27264	70.3
594.27686	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	593.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81713	0.4
57.26274	0.6
59.01241	0.9
64.87471	0.5
70.14902	0.9
70.15305	1.0
78.95770	70.8
79.99556	0.5
96.96838	12.9
98.19877	0.6
111.77296	0.4
123.29273	0.5
150.97923	1.0
152.99484	100.0
153.99812	1.6
171.00549	3.0
199.72472	0.5
223.00078	10.6
241.01137	27.5
242.01546	0.9
258.99667	0.6
259.02234	1.4
259.20639	0.5
271.74295	0.5
277.21701	49.0
278.22058	3.9
285.04028	1.5
295.92599	0.6
315.04834	17.7
316.05066	0.9
333.05936	0.9
351.10367	0.5
370.34570	0.5
502.97498	0.5
593.27264	79.9
594.27600	10.4
598.88184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49481	0.5
59.01240	2.1
61.98689	0.6
62.96245	0.5
69.96179	0.4
70.86791	0.8
70.87132	0.9
71.01231	0.6
78.95768	88.4
96.96830	17.6
126.06631	0.5
126.39614	0.4
134.98445	0.7
150.97899	1.0
152.99475	73.0
153.99854	1.1
171.00600	0.7
192.29002	0.5
209.11804	3.1
223.00021	2.6
227.12810	1.1
233.22546	0.5
241.01132	38.4
242.01360	1.1
259.02338	0.8
259.20422	0.7
275.20117	0.7
277.21695	60.9
278.22052	4.7
284.03177	2.3
285.03998	13.3
286.04321	1.2
291.19424	0.7
309.20773	1.4
315.04831	11.3
413.20959	7.0
414.21481	0.6
431.22012	0.6
453.79443	0.5
489.58923	0.5
593.15710	5.1
593.27240	100.0
594.16821	0.9
594.27570	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	593.2633
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03336	0.4
59.01245	2.3
61.98693	1.2
62.46200	0.4
63.96099	1.6
66.58614	0.4
69.03325	1.2
69.28656	3.6
71.01250	9.4
72.99166	0.4
73.02827	2.3
78.95758	0.6
78.98460	7.2
79.95602	13.7
80.96384	82.2
81.03316	1.3
83.01256	0.7
85.02822	4.1
87.00749	3.6
94.97955	19.2
95.01283	0.4
96.65733	0.4
96.95891	1.4
97.02790	2.0
98.20575	0.7
99.00746	0.9
101.02306	2.7
106.97967	4.0
107.01263	0.7
113.02328	1.0
121.02852	2.1
121.06470	0.3
122.97472	3.8
125.02338	3.0
127.03889	0.9
133.02844	0.7
134.97472	6.1
136.99039	2.3
146.97423	0.7
148.99048	7.2
149.99327	0.4
151.00285	0.5
152.97382	0.7
152.98521	7.1
154.37599	0.4
164.98531	13.5
167.00060	0.6
203.11656	0.3
206.99545	2.2
209.04506	1.0
209.11769	0.9
225.00688	17.5
226.00912	0.7
235.17126	0.6
243.02943	0.4
275.20129	0.5
284.03137	3.1
285.04022	18.2
286.04367	1.5
293.20944	0.5
293.50266	0.4
299.04459	3.0
355.09283	0.4
430.61923	0.4
436.40723	0.4
447.33218	1.1
593.15588	7.8
593.26239	100.0
594.15436	1.6
594.26514	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	593.2632
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.16379	0.4
59.01239	1.4
61.98703	0.7
63.02265	1.0
63.96092	1.0
69.03296	0.7
69.25736	1.6
69.26164	2.6
71.01247	6.5
73.02825	1.3
74.09437	0.4
78.98458	4.5
79.95603	35.9
80.96384	59.1
81.03339	0.8
83.01243	0.6
85.02827	2.3
87.00726	2.1
94.97958	14.0
95.01247	0.5
96.95869	1.3
97.02808	1.3
101.02318	2.6
102.57016	0.4
106.97943	3.0
107.01263	0.9
109.02856	0.7
111.67212	0.4
121.02882	0.5
122.97494	3.4
125.02328	2.7
127.03918	0.7
133.02843	2.5
134.97466	4.9
136.99095	0.9
148.99040	6.1
149.02325	1.1
151.00227	2.1
152.98500	4.7
153.01869	0.5
161.04434	1.2
164.98534	10.6
166.99951	0.6
175.03870	1.2
177.01772	0.4
179.00076	0.6
195.13788	0.4
199.03938	1.0
206.99580	4.0
217.04987	0.6
225.00685	15.9
241.00056	2.4
284.03226	6.9
285.04016	20.1
286.04349	1.6
293.21136	0.6
299.04373	3.0
315.03964	1.3
341.05396	1.1
371.06567	3.1
371.10632	0.6
385.08099	1.1
399.09500	2.1
413.11102	1.4
427.12964	0.7
441.14474	0.8
455.15698	3.1
481.16840	0.8
495.18997	2.7
523.18585	1.0
524.19525	0.8
593.15906	4.3
593.26263	100.0
594.16742	0.7
594.26593	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	593.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.8
59.01250	25.7
62.93281	0.6
69.24650	4.6
69.25079	3.1
69.88360	0.7
71.01248	9.9
72.99154	0.8
75.00741	1.0
77.15666	0.7
83.01262	1.4
85.02824	4.3
87.00738	0.7
89.02323	6.2
91.01781	1.3
93.03321	1.1
95.01254	1.1
101.02336	5.3
102.95910	0.7
107.04935	0.7
109.02862	1.1
113.02322	4.4
114.98291	0.6
119.01277	5.5
119.03401	2.2
119.04896	1.0
121.02854	4.6
125.02293	0.7
132.02074	0.7
133.02843	1.3
134.03610	1.6
135.04395	2.7
137.02348	1.1
146.98531	0.6
147.00780	3.9
147.04395	2.1
149.02336	28.8
150.02989	1.5
152.01068	0.7
161.02339	1.4
162.03123	1.1
163.03909	2.8
163.11195	12.6
164.04692	34.9
165.01823	1.6
165.05113	1.8
175.00275	37.0
176.00891	2.3
177.01845	1.1
179.07037	5.0
190.02632	99.0
191.03160	6.0
205.04994	100.0
206.05333	5.1
207.02951	0.7
209.04338	0.8
223.06049	50.3
224.06384	2.2
225.14883	1.2
265.07156	1.4
269.04599	1.2
284.03262	2.8
285.04019	16.4
286.04279	1.6
387.16547	44.2
388.16876	4.1
593.15326	7.3
593.25934	68.2
594.16467	1.0
594.26373	11.7
624.96912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39772	0.4
55.01768	0.8
55.58201	0.4
57.03316	1.2
59.01249	13.8
59.06133	0.4
61.98703	1.0
62.41729	0.4
63.02273	0.7
65.00203	0.5
69.03324	1.0
71.01254	9.5
71.41207	0.4
71.57993	0.6
72.99185	1.5
73.02821	1.9
74.95002	0.4
75.00750	1.6
83.01278	1.4
85.02823	4.6
87.00749	1.4
89.02307	4.7
91.01766	2.2
93.03330	4.6
95.01281	1.5
96.95886	2.4
97.02841	0.7
99.00766	1.8
101.02330	4.9
105.03415	0.5
107.01297	0.8
107.04903	0.9
108.02060	1.9
109.02850	1.3
111.00742	0.8
111.04424	0.5
113.02328	3.5
117.03344	1.3
119.01266	5.9
119.03396	1.6
119.04913	3.7
121.02837	6.3
123.00749	0.5
123.04388	1.4
124.01573	0.6
125.02354	1.6
132.02066	1.1
133.02817	2.7
134.03610	3.6
135.00813	1.7
135.04399	3.6
137.02348	2.0
139.00241	0.7
139.03851	0.6
145.02843	1.1
147.00772	4.5
147.04445	2.4
149.02344	33.0
149.05902	0.7
150.02896	1.0
151.00229	1.5
151.03911	1.6
152.01064	1.2
152.08319	0.8
153.01860	3.3
155.03416	1.1
160.01598	1.5
161.02385	1.2
161.04553	0.8
162.03082	0.8
163.00281	0.8
163.03922	6.2
164.04700	39.9
165.01909	2.5
165.05103	1.8
166.02631	0.6
167.03389	1.0
173.02214	0.5
173.04427	4.2
175.00288	39.0
175.03711	2.3
176.00739	2.5
177.01840	1.4
177.05605	0.4
179.03479	1.1
179.05606	0.8
179.07060	5.4
180.04236	0.6
181.05060	0.8
181.90753	0.4
189.01865	1.3
190.02644	98.7
191.03050	4.9
191.05569	1.4
192.00555	0.5
192.04030	0.5
193.01289	0.7
193.04961	2.1
194.05476	0.5
195.02895	0.5
199.03928	0.7
205.04999	100.0
206.05376	4.8
207.02951	1.0
208.03725	1.4
209.04428	1.7
213.05397	0.5
223.06073	70.5
224.06400	4.1
225.14912	1.1
249.06125	0.6
256.03607	0.7
265.07190	0.7
267.07224	0.8
275.33386	0.5
278.15527	0.8
284.03271	5.6
285.04050	32.3
286.04446	2.6
293.04471	0.8
311.05408	1.0
319.08218	0.6
327.04889	0.6
337.09494	0.6
387.16251	1.2
387.20877	2.2
431.09714	0.7
477.19440	0.6
490.20697	1.3
593.15271	15.5
593.26001	68.1
594.15442	2.4
594.26367	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	593.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09513	0.4
53.30210	0.4
55.01742	0.4
57.03334	0.5
59.01247	6.5
66.17226	0.4
68.40391	0.4
70.36053	0.6
70.36440	1.0
71.01248	4.3
72.75932	0.3
73.02835	0.5
83.01282	0.6
85.02819	1.8
89.02327	2.3
91.01762	1.8
91.05385	0.4
93.03337	1.3
101.02325	2.3
113.02305	2.1
119.01262	5.5
119.03374	0.7
119.04893	0.4
121.02836	3.2
128.86971	0.4
134.03621	1.5
135.04446	2.0
147.00778	3.5
147.04407	1.7
149.02342	25.8
150.02710	1.1
152.01065	0.7
154.02312	0.3
154.92110	0.4
161.02271	0.4
162.03159	0.7
163.03865	1.8
164.04697	31.7
165.01834	1.3
165.05116	1.3
175.00282	34.0
176.00668	1.4
177.01796	0.5
179.07043	5.5
189.01933	0.5
190.02637	82.7
191.03038	3.9
196.84453	0.3
205.04999	100.0
206.05347	5.0
207.02959	1.0
207.13844	0.5
208.03653	0.8
218.48788	0.4
223.06064	56.4
224.06412	3.2
225.14880	1.5
249.17999	0.4
285.04007	2.4
329.14368	0.4
367.89041	0.4
387.20367	2.8
549.26813	0.9
578.23724	0.7
593.25989	74.5
594.26331	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57504	0.3
55.01756	0.5
57.03323	0.7
59.01250	6.9
65.00193	0.5
69.43917	0.7
69.44319	2.1
71.01248	5.0
72.96975	0.3
73.02797	0.7
79.27055	0.3
83.01252	0.7
85.02807	1.6
87.00787	0.4
89.02312	2.1
91.01721	1.8
93.03345	0.6
98.20562	0.8
99.00756	0.4
101.02313	2.3
107.04879	0.6
108.16687	0.3
113.02319	1.3
117.03327	0.4
119.01261	6.9
119.61002	0.3
121.02827	4.6
132.02071	0.5
134.03622	2.0
135.04417	2.0
137.09618	0.8
147.00790	4.5
147.04382	1.7
149.02336	32.1
150.02757	1.3
152.01024	0.5
156.23079	0.3
161.02283	0.6
161.79706	0.3
162.03096	0.8
163.03902	2.7
164.04694	36.9
165.01866	2.1
165.05080	1.3
169.04906	0.3
175.00279	41.0
176.00591	1.8
177.01811	0.8
179.05476	0.4
179.07037	5.4
189.01811	1.4
190.02631	100.0
191.02992	4.2
197.15337	0.6
205.04991	93.6
206.05296	5.3
207.02951	0.8
208.03705	1.1
209.04410	0.7
217.98195	0.3
223.06059	58.6
224.06351	3.1
225.14906	1.9
240.21979	0.4
285.04025	2.0
288.12827	0.3
329.70929	0.3
387.20294	1.8
593.25970	57.4
594.17316	0.5
594.26404	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	593.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04161	0.4
57.03300	0.6
59.01249	8.5
65.00214	0.5
65.20589	0.5
68.21823	0.5
71.01247	6.3
71.06850	1.3
73.02812	0.8
73.03844	0.5
75.00742	0.6
75.53492	0.5
83.01266	0.9
85.02807	2.5
87.00745	1.1
89.02328	2.1
91.01780	2.0
91.05489	0.6
93.03337	1.7
95.01281	0.8
101.02309	2.4
105.88044	0.5
109.02870	0.8
113.02324	2.3
119.01266	6.8
119.03416	1.0
121.02837	4.8
129.01753	0.5
133.02884	0.7
134.03638	1.6
135.04408	2.6
137.02368	1.0
147.00761	4.3
147.04419	1.6
149.02338	35.2
150.02679	0.8
152.01028	0.7
153.01709	0.5
161.02332	0.5
161.04407	0.6
162.03142	1.6
163.03893	2.9
164.04694	36.5
165.01833	2.2
165.05052	1.8
175.00278	42.2
176.00638	1.5
177.01862	0.8
179.07047	5.5
189.01883	1.5
190.02632	100.0
191.02963	5.5
193.04993	0.7
205.04993	98.0
206.05345	3.9
207.03061	0.6
208.03589	0.7
223.06056	61.4
224.06395	3.3
225.14967	1.5
284.03281	2.3
285.04037	9.2
286.04282	1.1
291.62296	0.5
349.00485	0.5
387.20300	1.7
593.15820	3.9
593.25916	70.1
594.16022	1.2
594.26105	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31745	0.5
53.79925	0.5
55.46439	0.6
57.03310	2.1
57.96387	0.5
59.01249	11.0
61.98709	3.3
61.98988	0.6
63.02274	1.1
65.00191	1.1
69.03325	1.1
70.07721	3.0
71.01251	8.8
72.99181	1.8
73.02823	1.9
75.00744	1.5
78.95805	0.6
81.03335	0.7
83.01256	1.9
85.02816	4.5
87.00753	1.9
89.02322	2.9
91.01779	2.3
93.03334	2.4
95.01252	1.6
96.95893	2.9
97.02814	0.9
97.72225	0.6
99.00771	1.5
101.02290	3.4
107.01280	2.0
107.04929	1.3
108.02058	1.9
109.02826	2.4
113.02358	4.2
117.03353	2.3
119.01280	5.1
119.03387	1.1
119.04891	2.8
121.02849	4.9
123.00749	1.1
123.04420	1.3
125.02333	2.2
132.02063	1.3
133.02876	4.5
134.03627	5.0
135.00783	1.0
135.04430	6.1
137.02333	2.5
139.07553	0.7
145.02885	5.3
147.00777	4.5
147.04410	1.6
149.02345	27.8
149.05821	0.9
150.02834	1.9
151.00314	4.1
151.03941	1.1
152.01071	2.6
153.01733	2.2
160.01549	1.6
161.02397	3.0
162.03119	1.4
163.03900	5.0
164.04695	32.1
165.01831	2.3
165.05165	1.8
166.02605	1.0
167.03435	3.2
171.04684	0.6
173.04428	1.6
175.00290	32.1
175.03795	5.1
176.00630	2.2
177.01814	1.9
177.05534	0.7
179.03426	1.7
179.07072	5.7
179.84996	0.6
183.13841	0.9
185.60356	0.6
187.03851	1.2
189.01868	1.3
190.02634	89.7
191.02992	6.1
191.05539	2.0
193.05046	3.2
194.02010	0.8
199.03918	1.9
201.01811	1.0
205.04991	84.5
206.05345	6.3
207.02901	1.9
208.03658	1.7
209.04349	1.4
211.03874	0.8
213.05669	0.9
215.03426	0.9
217.04979	1.1
223.06065	46.6
224.06424	4.0
227.03409	1.0
255.02905	2.5
256.03619	1.7
257.04477	0.8
265.07193	1.7
269.04355	0.7
284.03250	17.8
285.04016	100.0
286.04340	10.1
311.05582	0.8
327.05093	0.8
353.06937	0.7
367.10251	1.5
369.10605	0.9
593.14313	43.1
593.25916	75.5
594.14673	7.8
594.26251	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	593.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.9
57.03315	4.7
58.00455	1.6
58.10306	0.6
59.01248	66.9
60.01560	1.1
62.45327	0.7
65.00205	1.2
69.03322	1.6
71.01249	40.4
71.07855	1.5
72.01585	0.8
72.99180	4.6
73.02815	36.3
75.00748	3.1
81.03326	0.7
83.01251	14.1
84.02048	0.8
84.86900	0.6
85.02819	20.8
87.00733	3.9
89.02306	11.5
91.01770	0.9
93.03340	3.5
94.73612	0.7
95.01255	5.0
96.95880	6.6
97.02843	1.6
98.18159	0.7
99.00748	2.4
101.02314	33.1
105.03288	1.0
107.01279	1.4
108.02052	2.3
109.02818	2.7
111.00774	5.5
111.09597	0.6
112.98691	3.0
113.02323	21.5
119.01257	2.0
119.03371	5.0
119.04890	1.5
121.02808	4.3
123.00754	1.2
123.04359	1.7
124.01545	1.0
124.65034	0.7
125.02324	2.9
129.01825	5.0
131.03378	2.8
133.02841	6.8
134.03633	2.5
135.04385	2.8
136.01523	0.7
137.02339	7.2
138.03073	1.0
143.03366	3.1
143.04921	0.7
145.02821	0.7
147.00760	1.9
147.04402	1.4
149.02336	13.1
149.04420	2.5
149.05717	0.8
150.02809	0.9
151.00258	5.8
151.03868	2.9
152.01025	1.9
153.05484	1.1
154.01353	1.4
155.03435	1.7
156.00551	0.7
159.04414	2.1
160.01476	1.2
161.02321	3.0
161.04437	7.4
163.03951	3.6
164.04694	14.4
165.01846	2.2
165.05328	1.0
166.02666	1.0
167.03433	1.3
168.00592	1.2
171.04378	1.2
172.05072	0.9
173.02400	0.7
173.04451	2.2
173.05978	2.4
174.03125	1.7
175.00249	13.3
175.03914	8.4
176.00731	1.0
176.04770	0.7
177.01807	2.6
177.05481	2.7
178.06239	1.0
179.03300	1.2
179.05505	2.6
179.07040	3.8
181.04935	1.4
181.12221	1.0
181.57304	0.7
187.03917	4.6
187.07524	0.7
188.04649	1.3
189.05464	1.4
190.02629	36.8
190.06236	2.6
191.03285	5.0
191.05469	1.9
191.07059	1.3
192.04204	1.7
193.04977	2.2
197.11774	1.2
199.03986	2.2
202.06288	2.6
203.03387	1.3
204.04092	1.4
205.05003	45.0
205.08681	1.5
206.05486	3.8
207.02954	0.7
207.06453	1.4
217.05008	2.0
217.08546	0.8
219.06563	1.4
220.07303	7.5
221.06476	0.8
221.08208	6.1
223.04492	1.1
223.06071	23.0
224.06427	1.0
227.03455	0.9
235.09717	6.2
241.04951	1.4
247.02272	0.7
255.03020	2.0
256.03598	2.2
257.04486	0.8
269.04572	1.1
277.07083	1.8
283.09763	1.6
284.03238	23.1
285.04007	100.0
286.04361	10.2
299.05551	5.5
300.02640	0.8
300.05902	1.0
311.09216	9.8
312.09537	1.1
326.11572	3.8
337.09296	4.9
341.10211	1.1
341.13940	2.6
343.21283	2.1
356.12650	1.4
371.14957	39.9
372.15219	4.8
375.20587	1.4
376.20779	0.8
387.20016	0.9
417.14221	1.5
431.17313	1.7
475.15994	4.0
491.17853	0.8
533.20013	6.6
534.20728	0.8
551.21613	0.8
575.25549	1.8
593.15131	41.7
593.26227	28.6
594.15417	7.0
594.26648	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	593.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.5
57.03320	1.2
58.00473	0.6
59.01253	45.4
65.00185	0.7
70.89500	0.4
71.01256	14.0
71.59010	0.6
71.59412	0.6
72.99171	1.7
73.02824	1.6
75.00751	1.0
83.01268	0.9
83.04887	0.5
85.02826	5.8
87.00744	1.3
89.02316	7.7
91.01783	0.6
93.03337	1.5
95.01270	1.4
96.95878	1.0
99.00761	1.2
100.54297	0.4
101.02322	5.9
107.01221	0.6
108.02026	0.9
109.02827	0.8
111.00716	0.5
113.01613	0.6
113.02348	5.4
119.01283	2.3
119.03415	3.3
119.04913	1.5
121.02861	3.6
123.00797	0.6
124.01543	0.4
125.02350	2.3
126.08962	0.5
129.01785	1.1
132.02072	1.1
133.02824	2.3
134.03630	1.6
135.04414	1.0
136.01546	0.5
137.02359	2.0
147.00800	1.6
147.04402	0.8
148.01602	1.0
149.02347	15.8
150.03043	1.8
150.92436	0.5
151.00278	1.2
152.01041	1.6
153.01892	0.7
160.01523	1.0
161.02327	0.6
162.03131	0.6
163.03891	2.3
163.11203	3.4
164.04698	11.0
165.01863	1.1
165.05385	1.0
171.10271	0.5
173.04486	0.6
175.00291	16.4
175.03900	1.3
176.01068	6.3
177.01817	1.3
179.03413	0.7
179.05632	0.4
179.07063	2.4
181.26268	0.4
189.01910	0.7
190.02647	38.3
191.03368	7.5
193.01276	0.8
193.04976	0.6
205.05000	33.2
206.05420	1.9
207.10202	8.2
208.03653	1.0
209.04460	1.5
217.05153	0.5
221.08101	0.8
223.06081	10.8
225.11191	0.9
247.06027	1.1
249.06041	0.5
257.04413	0.5
265.07172	2.0
284.03238	4.4
285.04016	23.2
286.04303	2.0
299.05646	0.8
309.03903	1.3
325.09305	0.7
327.05042	0.9
357.06174	0.7
369.15692	2.2
379.89740	0.5
387.16595	100.0
388.16940	9.1
397.00806	0.5
417.35712	0.5
429.07907	0.7
431.22968	0.8
447.09338	1.4
473.12680	0.6
529.72473	0.4
593.14801	9.8
593.25378	20.7
594.15094	1.8
594.26086	2.8
623.09601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	4.8
69.54441	6.8
71.01239	2.4
78.55730	0.9
85.02837	1.9
89.02296	1.2
93.03309	1.4
95.01299	0.8
99.76157	0.7
109.02868	1.0
112.87156	0.7
117.03332	1.6
117.82403	0.8
119.04860	0.9
121.02904	1.1
125.02341	1.7
133.02844	8.3
134.03621	3.3
135.04393	1.9
137.02318	1.1
147.00885	0.8
147.04420	1.1
149.02345	2.2
161.02325	1.8
163.00275	2.6
163.03952	1.4
165.01808	1.9
171.85403	0.8
173.02296	1.4
173.04520	1.0
175.00307	1.4
175.03883	1.7
177.01860	2.1
189.41925	0.8
191.03435	0.9
191.05464	1.4
193.01320	0.9
199.03922	1.1
205.01543	0.9
213.05525	1.0
225.05446	1.2
241.04926	2.1
253.05087	2.0
254.05666	0.9
255.03023	1.3
269.04620	3.1
270.05264	1.2
281.04495	2.0
282.05142	2.0
283.06094	1.9
284.03336	3.7
285.03998	13.5
286.04361	1.3
295.06046	1.7
297.04092	17.7
297.07288	1.6
298.04803	78.5
299.05286	12.1
307.06445	1.0
309.04068	19.1
309.07635	1.2
310.04407	2.4
311.05591	4.4
312.06189	1.3
314.04425	1.3
323.05511	1.5
325.03564	4.2
325.07169	1.5
326.04315	3.8
327.05060	25.1
328.05396	2.3
330.03708	5.1
337.03543	1.2
338.04193	3.4
339.05109	8.9
341.06750	2.2
351.05035	2.2
353.02875	3.0
353.06744	2.9
357.06155	12.2
358.06390	1.7
369.05801	1.8
371.07388	1.2
381.06180	1.7
383.07617	4.6
411.06931	1.1
429.08249	13.6
430.08890	2.1
446.08304	0.9
447.09058	1.8
459.09152	1.0
473.10876	33.2
474.11383	4.9
503.11905	3.9
593.15088	100.0
594.15570	15.9
620.08234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77658	0.3
59.01237	0.5
63.02262	1.6
64.19535	0.3
65.00192	1.3
75.42792	0.3
83.01258	1.3
86.63540	0.3
91.48631	0.3
107.01276	2.8
109.02832	0.9
121.02842	0.9
132.02058	0.5
133.02832	5.3
133.85690	0.3
134.03596	1.2
149.02351	2.4
149.99478	0.3
151.00262	6.4
161.23917	0.3
169.01361	0.6
171.04385	0.3
175.03932	2.6
183.04485	0.4
185.06065	0.6
187.03940	0.4
188.04741	0.5
195.04578	0.5
196.82840	0.4
197.05962	0.7
198.03163	0.4
199.03888	2.5
200.04639	0.7
201.01859	0.8
204.67412	0.3
211.03867	1.2
212.04688	0.6
213.05461	0.8
217.05014	1.5
227.03386	3.0
228.04106	0.5
229.05008	0.4
229.83144	0.4
239.03415	0.7
241.04971	1.0
243.02982	1.1
255.02951	3.8
256.03696	4.3
257.04343	1.2
267.02939	0.5
269.04572	3.9
283.02399	0.8
284.03247	65.7
285.04001	95.8
286.04395	8.1
297.04327	0.3
309.04025	0.7
327.05069	0.8
447.09128	2.1
486.05701	0.3
593.15076	100.0
594.15448	17.2
594.23541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65495	2.9
69.65910	2.0
71.01256	1.4
93.03374	0.9
109.58466	0.7
114.81536	0.8
116.06630	0.8
117.03342	4.8
119.04916	0.8
119.74537	0.7
135.04419	1.7
142.05452	0.8
151.56396	0.7
155.66980	0.7
161.02319	2.0
163.04021	0.8
175.03860	0.9
184.54054	0.9
187.61331	0.8
191.03474	2.3
203.03467	1.4
257.85727	0.8
271.72495	0.7
282.05276	1.3
283.06064	2.8
295.06064	2.8
296.06918	2.6
297.07654	17.9
298.07925	1.3
307.06073	2.6
309.07706	1.5
311.05490	3.7
323.05682	4.7
324.06290	2.1
325.07187	13.3
326.07358	2.5
328.05893	4.0
335.05493	2.3
337.07095	2.6
341.06784	1.0
353.06625	63.9
354.06964	7.2
355.08206	2.5
356.05579	1.3
365.06604	6.7
383.07687	33.1
384.07935	3.5
395.07709	5.2
413.08798	2.6
425.08868	1.2
436.66083	0.9
455.09860	0.9
473.10849	17.5
474.11185	2.5
476.85843	0.7
503.11954	4.7
575.13684	1.5
593.15076	100.0
594.15491	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02281	0.5
65.00217	0.8
69.38735	5.2
69.66963	0.5
83.01260	0.9
85.02789	0.5
93.03342	2.5
96.01320	0.5
107.01264	2.8
109.02859	1.3
124.14269	0.6
128.64615	0.5
132.02101	0.7
133.02849	1.7
135.00766	1.2
137.02321	0.7
143.04976	1.2
143.99374	0.6
149.02422	1.0
151.00258	3.6
153.01834	1.1
159.04404	1.3
161.02400	0.8
163.00227	3.3
164.00970	0.6
165.01840	0.8
169.06409	0.8
171.04385	1.5
175.03967	0.8
179.06819	0.6
183.04437	0.9
185.06017	2.5
187.03954	3.3
189.05489	1.4
190.02679	0.7
191.05502	0.8
195.04433	1.2
197.05922	1.2
199.03955	1.3
200.04601	0.9
201.05540	1.0
210.37976	0.5
211.03888	3.6
213.05505	2.6
214.02702	0.7
215.03363	0.6
227.03433	36.4
228.03918	2.8
229.05006	13.4
230.05257	0.8
239.03433	2.3
240.04312	0.7
241.04997	2.2
255.02945	57.5
256.03482	7.9
257.04538	6.4
258.04990	0.9
267.03021	0.8
283.02426	0.9
284.03235	62.1
285.04007	100.0
286.04300	8.4
327.04968	1.5
357.13428	1.4
593.15057	79.6
594.15430	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	593.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02270	1.0
65.00221	0.6
74.70153	0.3
83.01280	0.5
95.31238	0.2
98.19836	0.6
105.03336	0.3
107.01259	1.3
109.02817	0.6
121.02850	0.6
133.02831	4.0
134.03540	0.2
149.02319	1.2
151.00259	2.6
167.37708	0.2
171.04474	0.3
175.03893	1.7
177.01895	0.3
183.04471	0.3
185.06052	0.5
198.03107	0.3
199.03920	1.6
201.01947	0.5
211.03908	0.5
213.05511	0.4
217.04980	1.0
223.03926	0.3
227.03317	0.5
228.15594	0.3
229.80536	0.2
241.05013	0.5
243.02997	0.6
255.03009	0.4
256.03726	1.1
257.04556	0.3
267.03177	0.3
283.02573	0.2
284.03250	13.3
285.04007	100.0
286.04379	8.3
326.77765	0.2
327.05048	0.6
593.15051	36.8
594.15326	5.6
619.31891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75501	0.1
56.07133	0.1
56.82122	0.1
59.01244	0.6
61.98700	100.0
62.98389	0.2
70.10019	0.3
70.10430	0.5
71.01244	0.5
71.45757	0.1
79.95611	0.5
80.96383	2.2
94.97968	0.5
95.44014	0.1
96.95889	0.2
101.02300	0.2
111.69022	0.1
113.02388	0.2
119.56036	0.1
120.70931	0.1
121.84401	0.1
125.02303	0.2
135.04398	0.2
148.99063	0.2
149.02414	0.1
164.98610	0.4
209.11748	0.7
225.00751	0.3
242.91092	0.1
255.02977	0.2
284.03375	0.7
285.04022	4.2
293.21606	0.1
353.59009	0.2
433.13177	0.3
546.93048	0.1
592.24634	1.8
592.31720	0.3
593.15436	2.6
593.26312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.2
61.98714	0.3
64.70612	0.1
70.84970	0.4
76.03047	0.2
77.03853	0.3
78.78939	0.1
79.95628	0.2
80.96384	0.9
91.01756	0.2
93.03283	0.2
93.13795	0.1
95.01246	0.2
96.95879	0.1
120.02060	0.5
121.02840	100.0
122.03175	3.3
136.01530	0.4
147.04372	0.3
151.00328	0.2
164.98547	0.2
165.01837	4.2
165.05292	0.1
180.05681	0.6
181.05026	0.3
181.06503	2.4
187.52013	0.2
197.05994	2.3
207.04439	0.8
207.08098	0.4
209.04486	55.3
210.04851	2.1
223.03883	0.3
225.00752	0.2
225.05519	1.7
251.07033	0.3
257.09653	0.6
284.03156	0.5
285.04028	2.8
285.08972	0.2
301.08594	0.3
313.07138	1.9
314.07547	0.2
321.01221	0.2
329.08191	0.3
357.06070	1.0
373.10519	0.2
383.07803	1.0
401.08679	0.6
417.09671	1.1
505.11407	2.6
506.11597	0.4
549.10376	5.6
550.10553	0.7
593.13123	9.1
593.26605	0.6
594.13348	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	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57289	0.3
57.03297	0.7
59.01248	4.7
61.25828	0.3
61.98693	0.6
63.02253	1.5
65.00188	1.1
69.03311	1.2
69.75532	1.4
71.01244	3.7
72.99164	0.7
73.02811	0.9
75.00748	1.1
77.31419	0.3
83.01257	0.8
85.02809	2.3
87.00751	0.9
87.61635	0.2
89.02305	2.6
93.03339	0.8
95.01261	0.9
97.02811	0.8
99.00755	1.1
101.02323	1.2
105.03342	0.6
107.01263	2.9
108.02043	1.2
109.02821	1.6
111.00776	0.3
113.02328	1.8
117.03353	1.0
119.01266	1.1
119.04903	0.7
121.02833	1.8
123.00756	0.3
124.01543	0.4
125.02338	2.0
133.02840	6.0
133.04915	2.0
134.03564	1.0
134.60216	0.3
135.00768	1.4
135.04373	1.1
137.02333	0.8
143.04904	0.3
145.02844	2.7
147.00768	0.6
147.04384	1.0
149.02338	7.9
150.03142	1.9
151.00262	5.2
152.01056	2.5
153.01761	0.4
160.01552	0.3
162.03101	0.4
163.03906	1.2
164.03415	0.5
164.04698	6.5
165.01881	0.5
165.05467	2.4
165.12723	0.9
167.03442	0.6
169.01434	0.4
171.04385	0.4
171.10225	0.3
175.00284	6.4
175.03882	2.7
177.01778	0.7
177.05455	0.4
178.06271	0.7
179.07086	1.1
183.13809	2.4
185.05981	0.8
189.01814	0.4
190.02626	16.7
191.03078	1.2
191.05530	0.5
193.04895	0.3
195.06573	1.5
197.05962	0.4
198.03056	0.4
199.03961	2.7
201.01839	0.7
205.05000	16.3
206.05319	1.0
209.04317	0.3
212.04736	0.4
213.05527	0.6
215.03494	0.5
217.04945	1.4
223.06053	10.1
224.06448	0.7
226.02678	0.3
227.03473	0.3
241.04993	0.7
242.05838	0.4
243.02881	0.8
243.06570	2.4
247.06146	0.9
249.06102	1.0
257.04553	0.4
267.02881	0.4
284.03256	5.7
285.04028	100.0
286.01181	0.4
286.04373	7.4
341.13937	1.4
383.11844	0.7
387.16412	0.6
429.08099	0.5
447.09253	0.4
485.12573	0.5
551.17517	0.7
592.24792	0.3
593.13525	26.4
593.25482	13.3
594.13861	4.0
594.25122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.4
59.01249	9.0
65.00208	0.4
69.47073	2.2
69.47478	0.8
71.01255	6.2
72.99179	0.7
83.01264	0.4
85.02823	2.1
87.00735	0.4
87.31009	0.4
89.02306	3.6
91.01751	2.3
93.03340	1.4
95.01291	0.6
101.02328	2.8
107.04910	0.5
113.02328	5.8
117.05450	0.6
119.01273	6.9
119.03391	1.2
119.04935	0.7
121.02840	3.9
125.02360	0.5
132.02049	0.6
133.02934	0.4
134.03662	2.4
135.04401	2.0
137.02325	0.5
147.00784	4.2
147.04456	2.4
148.53909	0.4
149.02341	27.9
150.02756	1.2
152.01025	0.8
153.09105	0.8
161.02319	1.0
161.04454	1.6
162.03104	0.7
163.03880	2.9
164.04695	35.6
165.01807	2.6
165.05048	1.9
166.02631	0.7
166.37758	0.3
175.00279	39.3
176.00655	2.2
177.01782	0.9
177.05435	0.7
179.05553	0.5
179.07028	5.9
179.10619	0.6
181.04958	0.4
189.01927	1.7
190.02637	100.0
191.03036	6.0
192.50352	0.4
193.01306	0.5
193.04965	0.7
201.11211	0.4
204.04253	0.6
205.04994	93.8
206.05489	6.8
207.02879	0.4
208.03694	1.6
209.04279	0.4
217.01376	1.0
221.08122	3.6
223.06065	56.3
224.06459	2.7
232.03658	2.1
233.04395	1.0
237.07590	2.0
247.06085	38.0
248.06453	2.5
250.04796	0.5
251.09193	0.4
265.07153	12.3
266.07434	0.7
277.07217	0.8
289.07211	0.6
295.08206	1.4
325.09265	1.3
352.07645	0.4
367.10272	3.6
385.11389	8.7
386.11758	0.9
387.20267	0.7
531.31335	0.9
542.34015	0.4
591.24445	38.4
592.24725	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	591.2608
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.04403	0.9
54.37147	0.9
55.24960	0.9
57.47847	0.9
61.04947	1.1
63.09023	1.0
69.55786	7.7
81.38892	1.0
126.64275	1.0
226.61391	1.0
295.85300	1.0
366.14203	1.2
416.19574	1.4
443.22366	3.2
459.21869	1.7
464.29813	1.2
464.38132	1.1
471.21091	1.7
473.23624	1.4
482.21002	1.9
485.19659	2.1
487.24817	3.4
489.22815	1.2
497.23169	3.4
499.21375	3.6
500.22192	12.6
501.22226	2.0
515.24463	100.0
516.24744	18.0
559.23303	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	591.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04370	1.9
52.63537	2.3
57.03314	4.8
59.01248	100.0
59.81834	1.9
60.01582	2.1
61.98692	22.8
69.03329	3.6
71.01244	24.7
72.99155	2.7
73.02805	7.9
75.00737	4.9
75.20708	2.1
78.95763	5.1
82.95290	3.8
83.01244	6.1
83.04903	3.4
85.02827	14.7
85.46358	1.8
87.00742	5.4
89.02301	5.7
93.03320	2.5
93.06989	2.0
95.01250	2.4
96.95874	3.4
99.00730	6.9
101.02313	16.0
109.02826	5.3
113.02332	14.0
119.04916	2.9
121.02786	2.8
124.01514	2.7
125.02300	5.1
134.03595	4.8
135.04388	3.7
137.02301	5.9
149.02319	5.0
152.01028	3.2
152.99420	3.4
153.01802	2.7
157.06561	2.2
159.10126	2.2
160.01617	3.7
161.04420	4.8
164.04675	5.7
169.12196	4.4
171.10052	2.1
175.00217	5.8
175.03885	8.6
177.01797	2.3
179.10576	3.5
183.13719	2.5
190.02637	13.3
193.05040	4.7
204.65227	2.1
205.05042	14.3
211.13289	4.4
216.06909	2.0
223.06100	9.8
227.12848	2.3
250.24893	1.9
255.02853	7.3
283.02432	7.9
284.03146	2.5
285.03885	9.4
357.22726	2.7
367.10281	2.3
433.12833	4.2
447.09451	2.1
468.07462	1.8
487.32718	38.4
488.33081	2.8
502.95660	2.1
505.33942	19.9
531.31818	13.1
547.34595	3.8
591.24628	11.7
592.24280	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	591.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	5.8
65.00191	0.6
69.98737	1.7
71.01251	6.1
72.99169	0.4
73.02805	0.6
82.94630	0.3
83.01273	0.8
85.02827	2.5
87.00732	0.4
89.02311	1.6
91.01772	1.6
93.03326	1.6
95.01239	0.4
96.95924	0.4
99.00772	0.5
101.02341	1.8
107.04913	0.6
109.02868	0.6
113.02328	2.2
117.03371	0.3
118.27390	0.3
118.31567	0.3
119.01270	7.3
119.03436	0.9
119.04901	0.4
121.02843	6.3
121.39152	0.4
132.02020	0.4
134.03601	1.3
135.04419	2.2
137.02332	0.6
138.06769	0.5
147.00778	4.4
147.04414	2.7
149.02341	38.5
150.02682	1.6
151.07524	0.5
152.01003	0.8
152.08316	0.4
153.09090	1.7
161.02428	0.8
161.04462	0.5
161.09613	0.6
162.03107	0.9
163.03918	3.1
163.11166	0.5
164.04697	43.6
165.01813	2.1
165.05107	1.5
169.04851	0.4
175.00282	42.5
176.00697	1.4
177.01868	0.7
177.05470	0.6
179.03389	0.4
179.07051	6.2
179.10538	0.4
183.06522	0.4
189.01845	1.2
190.02635	100.0
190.69144	0.3
191.03009	5.2
192.04169	0.3
193.01340	0.5
194.02089	0.4
204.04161	0.4
205.04997	91.8
205.12236	1.7
206.05357	5.3
208.03712	1.1
209.04515	0.9
219.06487	0.5
221.08122	0.7
223.06064	97.4
224.06384	5.5
233.04529	0.6
247.06104	5.6
255.02943	0.4
256.03650	0.4
265.07141	2.3
283.02563	0.6
284.03223	1.0
284.56601	0.4
285.03973	0.8
295.08258	0.3
299.05414	0.4
352.07907	0.4
361.16605	0.4
367.10391	0.9
383.11212	0.5
385.11456	1.4
482.10651	0.4
570.44000	0.4
591.24457	59.3
592.24811	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	591.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.5
57.03318	0.6
59.01248	7.2
65.00204	0.7
65.78812	0.5
69.77938	2.9
71.01257	6.8
72.99199	0.7
73.02810	0.8
73.28645	0.5
85.02833	3.2
87.00770	0.7
87.26958	0.4
89.02328	2.2
91.01761	2.0
91.05421	0.7
93.03338	2.1
95.01311	0.6
96.95891	0.6
99.04451	0.5
101.02318	2.0
107.04902	0.7
111.00813	0.5
113.02337	2.2
119.01270	7.2
119.03374	0.6
119.04886	1.2
121.02837	6.9
123.04393	0.6
125.02406	0.6
129.01857	0.6
132.02061	1.0
133.02832	0.4
134.03621	2.0
135.04379	2.6
137.02379	1.3
137.09583	1.3
138.06790	0.7
147.00769	4.5
147.04424	2.5
149.02341	47.1
150.02753	1.7
152.01054	1.4
152.08330	0.6
153.09103	1.5
161.02451	0.6
161.04509	0.6
162.03134	0.8
163.03888	2.9
164.04700	44.0
165.01799	2.2
165.05115	1.7
173.04486	0.5
175.00288	42.4
176.00613	2.0
177.01927	0.6
179.07036	5.9
180.07414	0.5
189.01840	1.1
190.02643	99.8
191.03043	5.6
193.01370	1.6
193.05013	0.6
197.28549	0.5
199.48643	0.5
205.05003	83.6
205.12283	2.3
206.05367	5.0
207.03008	1.0
208.03763	2.7
221.08162	1.2
223.06078	100.0
224.06366	5.8
232.03827	0.5
247.06042	4.0
255.02876	0.8
262.83624	0.5
265.07162	1.8
284.03186	1.4
285.03967	5.1
309.58640	0.5
352.08142	0.8
367.10336	5.5
368.10883	0.5
385.11560	1.3
462.62067	0.6
469.14148	0.5
469.73767	0.5
547.14838	1.0
576.22491	0.5
591.24469	54.9
592.15955	0.8
592.24780	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	591.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53853	0.4
57.03308	0.6
59.01249	3.5
65.00187	0.5
69.03339	0.7
69.43122	1.4
69.43547	2.1
71.01252	3.4
72.99184	0.5
73.02821	0.8
75.00723	0.6
83.01246	0.6
83.45547	0.4
85.02820	2.5
88.40849	0.4
89.02308	0.7
91.01765	0.9
91.05404	0.7
93.03328	2.2
95.01295	0.8
98.19748	0.8
98.28304	0.4
100.17754	0.4
101.02313	1.3
107.04896	0.7
108.02045	0.9
109.02876	0.8
113.02319	2.1
117.03374	0.9
117.05423	0.4
119.01281	3.0
119.04931	1.2
119.87862	0.4
121.02837	13.0
122.03125	0.6
122.14577	0.3
125.02333	0.7
132.02071	1.3
133.02805	0.8
134.03618	1.6
135.04402	4.4
137.02301	1.1
145.02849	0.4
147.00787	3.2
147.04410	3.0
147.92387	0.3
149.02339	63.7
149.43378	0.4
150.02679	2.6
151.03812	0.7
152.01050	3.8
160.01653	0.4
161.02362	1.7
162.03127	0.6
163.03908	6.5
164.04697	43.6
165.01787	2.9
165.04994	2.0
169.04936	1.3
173.04451	0.7
175.00275	24.5
176.00755	1.6
177.01828	1.4
179.03389	0.6
179.07033	5.4
180.04131	0.4
180.07326	0.5
189.01881	1.1
190.02634	58.0
191.03146	3.7
193.01353	9.2
193.05017	0.4
194.01704	0.5
195.02934	0.5
204.04265	0.6
205.04994	57.5
206.05367	3.4
207.02917	2.5
208.03705	21.0
209.04149	1.0
217.01370	1.3
219.06689	0.5
221.08102	0.6
223.06064	100.0
224.06415	5.8
232.03705	1.8
247.06027	5.1
248.06508	0.5
255.02911	0.8
265.07187	1.2
274.45065	0.5
284.03171	0.6
285.03931	0.8
329.94485	0.5
337.05600	4.0
352.07922	6.2
353.08310	0.9
356.30685	0.3
367.10306	45.3
368.10593	3.8
385.11542	0.8
591.16901	1.4
591.25281	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48086	3.7
57.50799	3.9
59.01245	10.7
63.02277	5.8
65.00198	9.9
70.91828	3.8
71.01250	7.2
83.01260	9.9
85.02828	8.6
87.00766	4.2
96.95906	5.6
98.20621	12.4
107.01262	21.3
108.02045	6.7
108.91007	3.9
109.02854	32.3
121.02821	7.0
125.02320	21.4
132.02058	5.6
133.02838	61.6
135.04445	8.0
137.02344	43.4
146.02367	4.3
147.00826	4.4
149.02342	6.5
151.00270	71.3
153.01880	4.8
159.04381	4.4
160.03975	6.8
161.02341	19.2
162.05464	5.2
163.00281	8.6
164.03465	34.6
165.01846	7.3
169.01280	4.8
175.00281	12.9
175.02478	6.6
176.01036	16.3
177.01834	53.6
178.99815	5.0
179.03423	14.0
188.03430	18.4
189.01915	7.2
190.01302	9.5
190.05000	17.5
190.99846	4.9
192.00552	10.0
193.01297	8.0
197.34320	3.8
201.01900	6.5
205.01431	35.3
205.03333	8.4
206.04575	39.1
215.03484	6.9
216.03050	7.3
227.03401	11.0
230.00874	11.6
231.01639	64.2
232.02419	64.5
255.02968	40.3
256.03613	14.0
257.04358	9.0
268.03769	6.5
269.04459	17.4
271.02390	6.6
272.05634	5.8
283.02423	45.1
284.03220	34.8
285.04074	64.6
286.04337	8.6
297.03967	18.3
299.05527	7.1
300.02591	9.0
301.03516	59.6
302.03867	5.1
315.04742	6.6
323.04337	5.6
324.05054	94.8
325.05499	7.6
342.02490	6.5
342.06140	72.3
343.06638	7.3
368.09811	6.5
397.07663	6.9
410.10812	28.2
411.11264	5.5
431.09723	6.8
436.08847	100.0
437.09082	10.0
461.10757	9.4
505.09778	16.5
528.11127	23.2
546.13159	43.4
547.11981	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	0.4
60.66540	0.2
62.30562	0.2
68.09484	0.2
69.24873	2.0
69.78555	0.2
72.99183	2.1
75.00742	100.0
76.01067	0.7
78.11535	0.2
78.95777	0.2
87.04430	0.2
88.49696	0.2
93.19695	0.2
96.95880	0.2
98.19754	0.4
99.86338	0.2
124.54128	0.2
168.81790	0.2
202.50558	0.2
210.45253	0.2
277.21631	0.6
293.21432	0.3
353.32123	0.2
424.50433	0.2
568.67816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49299	0.7
57.03298	1.1
59.01250	24.8
61.98689	2.9
71.01246	4.9
71.04882	1.7
73.02812	1.6
78.95777	0.8
83.01241	1.1
85.02843	1.7
89.02313	4.1
98.20513	2.3
101.02315	6.5
113.02335	2.3
113.09605	1.5
119.03356	1.5
121.10095	1.4
125.02358	1.0
161.04434	2.5
171.10210	6.3
179.05461	0.9
183.13840	2.0
185.11797	0.8
209.11761	1.7
211.13344	1.1
223.13576	0.8
223.17026	1.6
229.75894	0.7
231.21037	1.2
235.08253	1.2
235.17020	12.2
236.17406	0.9
253.09250	23.4
254.09570	1.2
275.20148	24.5
276.20419	2.1
291.13416	0.9
293.21216	100.0
294.21503	10.6
312.85648	0.9
371.23221	0.8
420.95682	0.7
457.70471	0.9
490.26767	0.8
589.33685	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19983	2.8
54.87417	2.5
57.03317	3.6
59.01247	100.0
61.98686	7.2
70.39854	2.5
71.00929	2.9
71.01249	27.2
72.70304	2.9
72.99215	3.0
73.02813	5.6
75.00720	4.0
78.95770	4.6
80.91557	4.2
82.95269	10.0
83.01245	5.7
83.02398	4.9
85.02841	13.3
87.00768	4.6
89.02302	5.7
95.01242	3.6
96.95892	3.9
99.00704	5.1
101.02320	14.0
109.02821	5.5
113.02329	11.0
115.46630	2.5
119.04886	3.7
121.02851	6.9
125.02299	5.1
132.02071	7.2
133.02882	4.6
134.03568	15.1
135.04428	4.0
137.02307	3.2
139.48949	2.6
143.03343	3.0
149.02257	3.7
159.10162	6.6
160.01588	29.4
161.02205	5.2
161.04521	4.6
163.03877	5.5
164.04599	3.2
171.10164	4.5
175.03917	37.5
176.04362	3.2
183.13873	3.7
191.05620	3.2
193.04936	10.8
209.11748	10.7
211.13333	4.3
267.02707	3.2
285.04068	3.4
297.03912	4.7
309.03976	32.4
310.04218	4.2
352.09488	32.4
353.09683	7.3
367.11835	93.9
368.11981	14.8
373.38321	2.6
477.23596	2.8
485.31000	18.2
486.31039	4.6
503.32455	16.9
529.17249	6.7
529.24469	3.8
545.33435	4.4
589.26160	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	589.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37288	0.5
57.03322	1.4
59.01250	11.1
61.98694	1.5
65.85597	0.5
66.84302	0.4
69.03362	0.7
70.94249	0.5
71.01254	4.7
71.57984	0.6
71.58387	0.6
72.99182	0.7
73.02819	1.7
75.00724	0.9
82.95269	0.8
83.01261	1.6
85.02820	2.5
87.00738	0.7
89.02317	2.2
89.03829	0.9
93.03351	1.3
96.95888	4.0
97.02810	0.7
99.00765	1.0
101.02352	2.5
105.03328	0.7
108.02024	0.9
109.02803	1.2
113.02325	2.1
117.03339	4.3
119.03384	0.5
119.04887	0.5
121.02866	0.8
123.00816	0.7
124.01576	0.7
125.02398	0.6
132.02063	23.9
133.02962	3.0
134.03624	59.1
135.04001	1.8
137.02278	1.2
147.04364	0.7
149.05974	6.9
150.06369	0.8
153.01888	0.5
160.01561	100.0
161.01907	4.8
161.04474	0.6
164.04678	0.6
165.12831	0.6
171.10161	2.2
173.85663	0.6
175.03914	96.4
176.04222	4.5
177.01810	0.6
183.13876	0.7
191.05440	0.5
193.04980	91.7
194.05354	4.1
205.04904	1.2
209.11769	1.4
209.15427	0.9
267.07117	0.6
285.03876	1.1
497.59302	0.6
589.26440	55.1
590.26843	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02725	0.6
50.79803	0.5
59.01247	17.0
60.01570	0.8
61.98684	1.6
69.03304	0.6
71.01249	5.8
71.37878	1.5
73.02802	1.0
78.86713	0.6
83.01244	0.9
85.02819	2.1
87.00754	0.7
89.02305	4.3
95.01237	1.0
101.02306	4.6
105.26836	0.6
109.02851	1.0
113.02316	3.3
114.67847	0.7
119.03365	1.5
135.04414	0.8
137.02269	0.9
148.08784	0.7
151.11072	0.7
153.01909	0.7
157.08553	1.0
160.01543	0.7
161.04367	1.4
163.11134	0.6
165.12727	14.5
171.10156	7.1
197.11731	5.8
211.13318	1.1
247.20609	7.2
253.09247	17.6
254.09669	0.8
273.18433	4.2
285.04135	1.3
291.19638	100.0
292.19980	7.9
309.04193	0.8
339.12161	0.8
383.11298	1.3
587.31152	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
59.01249	12.2
61.98708	2.2
69.03327	0.9
69.50159	2.3
69.50587	2.4
71.01251	4.4
71.91376	0.7
73.02802	0.7
75.00772	0.9
76.48634	0.5
78.95779	0.9
82.58422	0.5
83.01277	0.9
83.74590	0.6
85.02824	2.5
87.00806	0.7
88.19707	0.6
89.02337	0.9
89.03819	0.8
90.08614	0.6
92.25848	0.6
93.68135	0.7
95.01242	0.8
96.95902	1.1
99.00768	0.9
101.02329	2.6
108.02013	1.0
109.02805	1.0
113.02334	1.6
117.03339	2.7
117.81548	0.6
121.02836	1.1
123.04385	0.6
125.02336	1.1
132.02061	25.4
133.02888	2.9
134.03625	55.1
135.04018	2.0
137.02351	1.5
149.02356	1.0
149.05980	7.2
153.01825	1.0
159.10191	2.6
160.01561	100.0
161.01852	4.6
161.04471	0.7
169.12257	2.0
171.10129	1.0
175.03915	91.9
176.04282	4.5
187.45490	0.6
193.04984	87.6
194.05351	4.0
197.11758	1.4
199.13356	0.8
209.11746	3.3
209.15408	1.0
211.13350	2.7
223.06165	0.7
275.91095	0.6
290.36890	0.7
291.19699	1.4
327.19946	0.7
525.26776	1.5
529.23883	0.8
547.33856	0.8
589.26331	46.3
590.26764	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	587.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
59.01248	9.9
60.01600	0.2
61.98701	10.4
65.00199	0.3
67.01771	0.3
69.03301	0.4
69.61673	1.5
71.01251	2.7
72.99184	0.5
73.02818	0.9
75.00723	0.5
78.33064	0.2
81.09575	0.2
83.01250	0.6
85.02808	1.2
87.00726	1.1
89.02323	0.8
91.01828	0.2
93.03358	1.1
95.01260	0.5
95.04880	0.3
96.95916	0.5
98.19773	0.3
99.00773	0.5
99.04404	0.4
101.02321	1.6
108.02036	0.5
109.02799	0.5
109.06479	0.3
111.00761	0.4
113.02326	1.1
115.00226	1.1
119.03440	0.3
119.04909	4.1
121.02839	100.0
122.03165	3.1
123.00806	0.4
123.04427	0.4
125.02321	0.6
133.02821	0.5
133.06544	0.2
134.03636	0.7
135.04408	1.0
135.46323	0.2
136.67203	0.2
137.02345	1.1
138.02707	0.3
139.00258	0.3
141.04068	0.3
143.03429	0.2
149.02383	0.3
150.03111	0.4
151.00244	0.6
151.03864	0.3
151.07605	0.3
152.01007	0.4
153.01845	0.4
155.03433	0.4
155.10638	0.6
157.01295	0.6
160.01614	0.3
161.02336	0.3
161.04491	0.3
163.03918	4.3
163.05986	0.3
165.05423	0.3
167.03392	0.5
168.00523	0.2
171.10138	0.5
173.04449	0.6
173.09683	0.3
175.02399	2.3
175.03842	0.4
177.04073	0.2
178.05644	0.2
179.03397	0.6
179.07040	0.2
181.05011	0.2
190.02731	0.3
191.05574	0.7
193.05089	0.5
195.06519	0.4
203.12875	0.3
205.05038	0.4
217.08730	0.4
217.10640	0.4
223.06064	0.4
223.13232	0.3
243.10237	0.5
261.11273	0.3
265.84613	0.2
269.04413	0.3
279.12015	0.2
285.04147	1.5
286.04404	0.3
403.19656	0.6
405.17615	0.5
413.21799	0.7
425.14127	0.5
587.30426	1.0
602.22955	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	31.2
60.33101	1.2
60.68684	1.1
61.98694	2.6
69.03349	1.7
69.31557	5.2
69.31985	7.2
71.01261	7.3
73.02830	1.2
83.04900	2.2
89.02293	5.6
101.02325	5.4
113.02345	2.7
119.03361	1.5
121.02869	1.7
121.10087	2.1
125.09568	5.8
127.11136	2.3
135.04294	1.1
144.17738	1.3
153.12750	2.2
161.04462	3.2
175.51511	1.2
175.90005	1.1
185.11713	2.5
197.11746	1.6
209.85751	1.1
211.13339	2.5
220.14615	7.7
221.15433	16.0
236.10483	12.2
247.20555	2.8
253.09254	21.1
262.56024	1.2
263.20270	9.0
273.18579	7.4
282.85867	1.2
291.19659	100.0
292.20047	7.3
293.17542	8.6
457.42902	1.2
499.04474	1.7
527.28357	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	587.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	15.3
61.98699	2.3
63.99825	1.0
65.00204	2.3
65.32794	1.0
68.61991	1.1
69.03320	1.1
70.14568	5.1
71.01242	9.7
72.99203	1.7
73.02819	2.1
74.07937	1.0
75.00735	2.8
78.95780	1.6
80.18195	1.1
80.96387	2.3
83.01256	3.6
85.02826	4.4
87.00747	1.9
89.02309	3.9
91.01732	1.4
93.03325	2.9
95.01256	2.5
96.95882	3.6
99.00746	1.6
101.02312	3.8
107.01286	3.2
107.05642	1.2
108.02032	3.2
109.02828	5.4
111.00755	5.4
111.04353	1.3
113.02314	4.8
119.04926	2.5
121.02069	1.0
121.02798	7.1
123.00723	2.7
125.02320	4.3
126.51852	1.1
132.63898	1.3
133.02831	17.7
134.03654	1.7
135.00864	2.0
135.04413	4.9
137.02318	5.2
139.00238	2.4
140.52486	1.1
141.04091	1.9
145.02863	2.6
147.04402	1.2
149.02344	10.7
150.03140	8.7
151.00256	7.9
151.03897	1.2
152.01019	2.8
153.01852	1.9
157.08609	2.5
160.01466	1.5
163.03932	3.2
164.04631	1.7
165.01836	3.6
165.05461	7.5
166.06160	2.6
166.99736	1.5
173.04475	2.3
173.06102	1.2
175.03920	3.4
177.01822	1.6
181.08607	2.6
184.14066	1.7
185.06042	1.7
187.03975	1.4
190.02545	1.8
190.99777	1.5
191.05434	1.1
193.04962	1.4
195.04704	1.3
195.06485	5.7
199.03897	1.6
201.01900	1.2
205.04980	1.3
205.12225	1.2
211.03986	1.7
217.04979	2.0
223.06136	1.2
227.03313	1.3
227.12756	1.7
229.04944	1.6
243.06577	15.9
249.06207	1.6
255.02968	2.8
257.04565	1.4
269.04300	1.5
273.61780	1.2
284.03262	3.3
285.04025	55.2
286.04327	6.1
301.03510	100.0
302.03809	9.0
387.20044	1.6
448.65582	1.5
539.22650	3.8
551.17474	1.8
587.24731	3.8
588.22675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69059	3.7
54.25784	3.6
57.03345	4.2
59.01249	47.5
59.72510	3.7
61.98688	9.0
65.00185	6.4
70.06204	13.2
71.01257	18.4
72.99198	6.3
73.02808	7.7
77.69408	3.5
78.95759	6.1
80.96340	5.5
83.01250	10.6
85.02827	13.5
87.00742	5.5
89.02300	10.7
93.03282	5.2
93.80384	3.3
96.95863	4.8
97.02843	5.7
101.02311	13.9
107.01225	11.6
109.02847	8.9
111.00745	9.3
113.02329	10.5
121.02801	5.7
125.02288	5.7
132.02013	4.0
132.05635	7.5
134.03629	4.2
137.02255	4.1
151.00282	55.0
152.01006	4.8
152.99501	4.2
157.08589	4.1
160.01555	15.6
161.09572	5.5
164.04678	7.9
165.01794	5.5
171.10167	16.0
175.00194	5.8
175.03909	13.7
177.01801	5.9
187.11180	33.3
188.11563	4.9
197.11719	19.3
201.11290	4.5
209.11671	5.6
211.13316	10.0
217.04984	6.2
285.03912	13.1
299.01959	4.1
339.12311	100.0
340.12704	11.2
376.98386	4.2
454.53558	3.8
526.77698	4.1
527.28558	6.8
587.12396	6.1
587.32880	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	583.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
63.96111	1.2
69.03313	0.6
70.15173	1.5
71.01250	7.9
73.02837	2.2
73.30659	0.4
78.98463	6.5
79.95606	9.6
80.96388	73.4
81.03329	0.8
85.02831	3.1
87.00771	3.1
94.97962	15.9
96.95886	1.6
97.02814	1.5
99.00748	0.9
101.02309	2.9
106.97965	3.2
122.97447	2.8
125.02340	2.8
127.03854	0.5
134.97496	5.2
136.99036	1.5
148.99034	6.3
152.98540	5.4
164.98540	12.7
165.41577	0.4
165.98767	0.6
167.00113	0.5
182.75964	0.4
188.98611	0.7
206.99577	3.2
225.00691	18.3
283.26477	2.3
299.04388	3.7
583.31537	100.0
584.31897	15.6
612.29059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02335	0.3
57.03314	0.3
59.01252	2.2
61.98698	4.9
67.01739	0.3
69.03320	3.1
69.52947	2.0
70.05895	0.2
71.01247	1.3
72.99162	0.4
73.02319	0.2
75.00755	0.5
75.35416	0.3
83.01261	0.3
84.03655	0.2
85.02818	1.0
89.02339	0.4
89.03819	1.6
90.04128	0.2
93.03342	1.1
95.01271	1.0
96.95894	1.9
97.02832	1.3
99.00758	0.6
101.02318	0.5
102.46415	0.3
105.94453	0.3
108.02055	0.8
109.02827	0.7
111.00784	0.4
113.02336	0.8
117.02540	0.5
117.03343	6.7
118.03683	0.2
119.04923	0.4
121.02835	2.4
123.00771	1.5
123.04418	0.3
125.02371	0.5
132.02057	0.5
133.02875	0.5
134.03625	64.6
135.04025	2.4
136.01547	0.3
137.02364	1.9
139.03946	0.4
140.03255	0.3
141.01828	2.0
141.04076	0.9
145.02806	0.4
147.04408	0.7
149.02338	14.0
149.05981	6.1
150.03128	1.7
151.03708	0.4
152.01047	1.1
153.01820	0.7
153.05455	0.2
160.01579	0.9
163.03871	0.7
164.04689	10.5
165.01830	0.6
165.05525	1.5
166.05917	0.3
166.99829	0.4
167.03415	0.4
171.10237	0.3
173.04469	0.6
175.03935	1.0
178.02644	2.4
179.03392	0.6
179.07019	1.0
180.04240	0.4
183.15118	0.3
185.00836	1.4
190.02554	0.4
193.04980	100.0
193.63504	0.3
194.05316	4.8
195.06595	1.5
205.04997	0.7
208.03723	2.8
214.06320	0.6
223.06061	21.5
224.06474	1.3
225.07523	0.3
229.08658	0.5
245.08151	0.4
267.07098	0.3
269.04510	0.3
271.06049	0.3
275.09109	0.3
284.03238	0.4
285.04062	0.9
361.05655	0.9
379.06589	0.3
399.62006	0.3
409.07507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	4.1
59.01249	22.2
61.98701	27.9
69.03315	2.7
71.01257	8.5
71.58556	1.8
72.99164	1.5
75.00744	2.9
78.95773	4.2
85.02814	5.5
87.00726	3.0
89.02322	7.6
93.03330	10.1
95.04904	1.4
96.95874	4.7
97.02821	2.6
99.00777	3.1
101.02289	4.6
107.04885	2.2
108.02055	5.6
109.02844	7.4
113.02319	6.2
119.04882	3.8
121.02815	12.1
122.03631	17.1
123.00756	2.9
123.04401	2.7
124.01519	4.1
125.02335	6.0
132.02086	1.5
133.02831	3.4
134.03612	5.6
135.04424	15.5
136.01555	14.6
137.02365	12.1
145.02884	2.6
147.04460	1.7
149.02341	31.6
149.05978	1.6
150.03128	100.0
151.00255	4.6
151.03918	16.6
152.00995	4.4
153.01837	4.7
153.09087	2.1
160.01526	2.3
161.02333	2.7
163.03920	4.4
164.04747	8.5
165.05482	98.6
166.02663	8.4
166.05812	2.6
167.03360	4.6
168.00639	2.1
172.05167	1.8
173.04480	1.8
173.05984	2.0
175.03903	5.8
177.01822	2.4
179.03510	2.5
179.07031	2.5
180.04173	6.1
181.04997	12.8
189.05473	4.5
190.02644	4.2
190.06229	7.6
191.03313	1.8
191.05472	2.3
192.79915	1.6
193.04926	4.6
195.06538	56.9
205.05008	2.8
223.06023	3.5
251.03644	1.8
256.03769	2.0
271.05988	1.6
283.05771	1.9
285.04050	3.2
311.05618	2.6
311.09235	2.2
317.03116	1.7
329.10208	3.0
342.11063	2.4
356.13074	1.9
357.09821	3.1
357.13379	10.5
372.11972	2.4
373.12662	3.4
387.14514	29.8
388.14877	3.6
429.09625	1.9
505.18665	5.0
535.19745	48.6
536.19989	6.9
583.21100	1.9
583.28192	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	583.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	4.0
59.01251	24.5
69.03340	3.9
69.34216	15.0
71.01256	11.3
72.99194	2.2
73.02819	4.0
75.00728	2.8
81.03333	9.2
83.01250	9.8
83.04949	1.5
85.02831	9.0
87.00758	3.3
88.31497	1.4
89.02310	5.4
93.03329	6.8
95.01289	5.0
95.04905	6.3
96.95895	8.5
97.02794	9.0
99.00801	1.9
99.04394	4.5
101.02331	4.7
101.12772	1.5
107.04892	2.7
108.02055	7.9
109.02847	21.8
111.00804	4.5
111.04414	5.4
113.02354	5.9
119.03378	1.9
119.04939	3.3
121.02828	13.1
121.06474	1.4
122.03624	2.9
123.00751	4.3
123.04394	26.8
124.01554	3.2
125.02337	24.9
126.02765	1.9
133.02841	2.4
134.03679	1.9
135.04407	31.3
136.01556	4.7
136.04869	2.0
137.02330	14.7
137.06015	6.7
138.03062	2.3
139.03894	13.0
141.01823	1.5
141.05367	1.9
143.62997	1.5
145.02856	2.1
147.04407	5.2
148.01508	2.1
149.02293	8.7
149.05994	3.5
149.99509	2.9
150.03108	6.9
151.00276	5.2
151.03917	11.5
152.01082	6.2
153.01831	6.5
153.05489	2.8
155.03383	4.7
159.04433	1.9
161.02379	3.5
161.04530	1.8
161.05917	3.2
162.06758	1.5
163.03899	11.4
164.04665	4.5
165.01825	4.9
165.05447	11.9
166.02621	3.2
167.03406	53.7
168.00536	4.7
168.03766	2.3
169.01292	2.2
173.04512	2.2
173.05930	2.1
175.00441	1.7
175.03868	4.3
177.01892	3.7
177.05490	7.8
179.03403	20.7
179.07036	1.8
180.04192	2.3
181.04951	7.4
185.11674	2.5
187.03868	2.6
189.05473	3.4
190.02628	2.0
190.06332	1.9
191.03510	3.3
191.05475	3.5
191.07027	2.3
193.05051	10.4
194.05519	2.6
195.06494	5.0
197.04457	11.2
205.01329	1.6
205.05013	3.7
205.08635	3.2
207.02963	2.3
207.06577	3.6
209.04482	53.4
209.07617	2.5
210.04747	3.6
219.02959	2.5
221.04590	15.8
223.06064	4.4
233.04475	2.6
235.06123	2.5
239.05582	27.0
245.08110	1.9
247.06155	2.1
251.05597	24.1
257.04520	3.4
263.05637	8.2
265.07047	1.7
269.06586	4.5
275.05582	1.9
279.04874	1.6
281.06720	14.2
285.04089	3.9
289.07339	3.2
293.06680	3.5
315.07013	1.8
323.07791	1.6
329.10208	2.2
331.08392	11.0
343.08401	2.7
343.14807	1.9
344.08261	1.8
361.09399	6.3
373.09247	100.0
374.09476	11.4
385.09308	5.1
389.16043	1.9
390.16296	5.9
391.16681	7.1
397.13406	2.7
403.10297	89.1
404.10648	8.9
415.10492	4.7
427.10345	2.4
433.11359	26.0
434.11780	2.8
445.11337	12.3
447.09210	2.7
457.11343	2.1
463.12518	27.0
475.12314	12.0
493.13623	15.6
494.13824	2.1
505.13278	3.7
535.19641	8.0
565.15436	2.1
583.16284	15.3
584.16815	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	583.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	6.6
59.01252	17.4
60.74895	4.9
63.02279	5.8
65.00196	8.6
68.43983	4.0
69.25854	11.0
69.26263	47.3
71.01249	9.4
75.00762	4.5
81.03323	5.4
83.01272	16.7
85.02833	10.8
87.00758	5.9
90.96065	4.4
93.03323	8.5
93.42412	4.8
95.01257	9.7
97.02839	9.2
98.20560	9.5
99.00749	9.9
99.04441	4.7
107.01284	12.8
108.02053	50.0
109.02828	43.5
111.00728	10.4
113.02341	7.3
121.02825	10.4
123.00777	17.8
124.01548	7.9
125.02325	54.5
133.02858	16.0
135.04395	6.8
137.02365	33.0
139.00302	24.9
139.03835	4.8
141.01820	18.0
149.02335	13.0
151.00281	70.0
152.01057	100.0
153.01848	93.9
154.02184	5.4
161.02359	7.6
163.00285	24.8
165.01868	22.9
165.05511	5.3
166.99747	30.5
167.03416	9.2
168.00528	17.8
168.03726	4.9
169.01364	35.2
173.04482	5.5
175.00305	8.9
177.01857	13.6
178.99716	29.7
180.00310	6.8
181.01350	37.3
183.02916	5.6
190.02660	5.1
190.99728	9.1
191.03421	4.6
193.01447	15.3
194.99255	12.5
197.00800	16.2
198.01393	4.8
198.50272	4.9
199.02448	8.2
203.03467	10.6
205.01344	4.8
206.99219	10.3
208.00026	35.0
209.00822	49.3
219.02942	5.8
223.99660	6.9
225.00340	40.2
231.02971	8.5
234.33492	4.4
238.91676	5.0
243.02600	5.2
247.06145	6.5
251.01971	8.1
255.03079	7.1
271.02454	8.7
273.03989	7.5
274.08246	6.9
283.02521	4.8
284.02588	5.8
291.05286	5.6
299.01877	12.7
300.02750	15.2
301.03546	70.2
315.07266	26.3
317.02936	32.2
318.80359	5.0
335.04102	17.5
336.05023	7.0
360.13919	4.5
371.06427	7.2
373.07748	20.0
383.06082	8.0
385.07770	8.4
387.09314	5.6
389.07327	9.7
397.11032	22.1
399.05411	5.7
401.06940	6.5
403.08871	17.4
413.07172	59.6
414.07199	6.8
429.06635	15.1
503.08151	5.3
505.09842	15.0
521.09381	18.8
539.10474	14.5
540.11334	17.9
565.22766	8.2
583.24908	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03313	3.4
59.01250	43.4
61.98699	35.5
68.50003	1.3
69.03329	1.8
71.01254	31.0
72.99171	3.3
73.02808	9.5
75.00733	3.6
75.20879	1.3
78.95746	2.1
81.03333	1.8
83.01260	7.3
83.04895	1.8
85.02817	22.9
87.00738	7.0
89.02319	9.2
93.03330	7.3
95.01242	5.0
96.95891	7.5
97.02812	1.8
99.00750	6.5
101.02323	24.0
108.02045	9.7
109.02834	6.2
109.06406	1.9
111.00744	5.0
113.02339	17.1
117.03316	2.1
119.03358	3.2
119.04897	3.5
121.02850	2.6
123.00797	7.8
123.04390	2.4
124.01551	4.8
125.02321	12.0
129.01825	2.4
132.02029	1.8
133.02835	3.1
133.04950	4.1
134.03600	6.2
135.04390	3.1
137.02298	5.3
137.09590	2.4
141.07582	1.3
145.02902	2.2
147.04370	1.7
149.02336	5.2
149.05959	1.7
149.99448	4.2
150.03101	5.1
151.00175	1.4
151.03859	4.0
152.01042	12.8
153.01822	4.4
154.72035	1.5
155.10674	2.3
159.02892	1.6
160.01613	7.3
161.02298	1.8
161.04466	3.1
163.03886	4.8
164.04634	2.8
165.05482	7.0
166.02615	3.6
167.03389	2.8
168.00554	10.7
173.04497	3.9
175.00233	2.0
175.03958	9.0
177.01825	3.2
179.03397	3.8
181.04968	1.8
189.09052	1.8
190.02580	5.5
191.01822	2.8
191.03539	1.4
191.05492	6.8
193.04971	9.5
195.06508	4.3
199.03839	1.5
201.14885	2.7
205.04994	6.0
223.06126	6.7
230.15115	1.9
249.05946	1.9
273.20676	2.2
284.03369	1.6
285.04004	6.1
298.04248	1.4
304.06058	1.5
315.07086	2.6
331.06509	2.3
331.24890	1.8
359.27969	13.6
383.11392	4.5
385.12668	2.0
403.19684	2.0
407.16782	1.7
477.30566	2.2
521.33307	100.0
522.33618	17.0
581.20789	13.9
581.32782	2.2
582.24188	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	581.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04709	18.5
58.28457	18.1
59.01244	100.0
62.27909	17.7
70.16184	16.0
70.53391	71.7
71.01252	44.7
85.02840	22.6
86.05869	18.0
89.02315	28.0
103.85690	16.4
113.02349	26.5
175.03932	20.2
209.08122	22.5
253.09151	35.5
291.19720	34.9
309.20731	89.8
337.09546	20.2
521.52924	20.3
581.27509	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	84.9
61.98701	19.0
65.92488	7.0
69.03331	10.0
71.01250	19.7
71.58593	8.1
73.02818	9.9
78.86241	7.3
85.02821	15.4
89.02335	9.0
96.95863	12.3
96.98339	9.4
101.02323	13.6
113.02306	11.0
129.32617	8.3
137.02283	10.3
161.56126	7.9
164.78563	7.3
175.03958	11.4
177.05492	13.1
186.29216	8.1
209.11697	14.1
253.09286	16.4
266.02283	16.0
282.79755	8.9
285.04074	21.5
291.19620	24.8
309.04037	12.1
309.20755	100.0
323.07355	8.9
545.29669	83.2
546.29938	14.4
553.58160	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2996
Annotation	15-epi-lupulin B
Peak:m/z	Relative Intensity
59.01254	1.0
63.96092	1.3
66.50497	0.4
71.01242	7.8
71.57794	0.5
73.02812	1.4
78.98460	5.7
79.95599	9.5
80.96382	71.7
81.03337	1.2
85.02809	3.7
87.00741	2.9
89.02335	0.5
94.97953	16.3
96.95878	1.3
97.02822	1.5
99.00728	0.5
101.02318	3.1
106.97939	3.6
122.86678	0.4
122.97422	2.8
125.02320	3.1
127.03898	0.8
134.97440	5.0
136.98975	2.1
138.96979	0.6
148.99033	6.2
150.96968	0.4
152.98549	6.4
161.57867	0.5
164.98520	13.7
167.00044	0.7
186.66368	0.4
188.98549	0.7
206.99580	2.9
225.00664	17.7
226.01111	0.6
281.24860	3.3
299.04276	3.5
377.31998	0.5
565.28162	0.5
581.29938	100.0
582.21484	0.8
582.30280	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	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.0
57.03315	1.7
58.00467	4.0
59.01250	100.0
60.01590	1.0
67.01765	1.4
71.01253	62.6
71.54644	0.7
72.01602	0.7
72.99172	4.8
73.02808	1.7
75.00743	0.6
83.01262	2.4
85.02827	10.3
87.00761	3.2
89.02316	87.9
89.70635	0.5
90.02663	1.1
90.85970	0.4
91.54456	0.4
95.01246	4.1
97.02810	0.8
101.02325	38.6
102.02642	0.7
108.02020	0.7
109.02802	1.0
113.02332	25.9
114.02636	0.7
119.03392	38.0
120.03726	0.6
121.02831	1.2
123.00747	1.1
123.04387	1.4
125.02311	2.0
130.34181	0.4
131.03403	5.0
131.04892	0.5
134.03590	0.9
135.04422	1.0
137.02348	2.7
138.03098	2.1
139.03816	0.7
143.03397	7.9
147.04364	0.5
149.02325	1.2
149.04436	2.7
150.03165	0.8
151.00204	0.9
151.03876	2.9
152.01030	1.8
152.04636	0.9
153.01712	0.6
153.05438	1.7
159.04370	1.2
161.02357	0.7
161.04457	5.6
163.03807	0.5
164.04666	0.7
165.05379	1.0
166.02531	0.6
167.03372	1.2
172.05290	0.5
173.05882	0.7
174.03072	0.9
175.02501	0.5
175.03932	5.6
176.04529	1.1
177.01773	0.8
177.05533	2.1
179.05530	15.5
180.04222	0.7
180.05779	0.5
181.04918	0.8
184.03568	0.7
187.03926	4.7
188.04588	1.4
189.05479	2.6
190.02528	0.8
190.06259	3.8
191.03383	0.8
191.06976	1.8
193.04919	1.2
194.05711	0.8
197.04538	0.7
199.94276	0.5
201.05554	0.6
202.06323	2.8
203.03419	0.7
203.07048	3.1
204.04111	1.0
204.07755	0.8
205.05025	7.4
205.08549	1.7
207.06458	0.6
208.07324	0.7
217.08609	1.3
218.05760	0.5
219.06554	2.5
219.10043	1.4
220.07349	5.9
221.07863	0.5
223.06050	0.7
233.08122	1.2
234.08626	0.5
235.09674	4.6
267.06561	0.5
309.07529	0.8
311.05692	0.6
313.10745	1.0
324.09787	0.9
325.07214	0.8
325.10736	0.8
341.10199	6.9
342.10629	0.6
355.11923	0.9
356.12631	3.7
369.13226	0.6
371.10989	1.4
371.15274	2.9
386.13437	0.9
389.16107	3.6
401.16046	43.6
402.16394	4.6
464.49738	0.5
468.45468	0.6
521.32867	1.1
581.22687	5.2
582.21423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54762	0.2
56.67859	0.2
57.03318	0.8
59.01248	100.0
60.01590	1.0
71.01241	2.2
71.58395	0.3
73.02824	0.4
79.32001	0.2
81.03321	0.5
82.92762	0.2
83.01271	0.4
83.04884	0.2
85.02827	1.2
87.00756	0.3
89.02319	0.5
93.03361	0.4
95.01271	0.3
96.95847	0.3
101.02310	1.1
101.56075	0.2
109.02822	1.0
113.02333	1.1
115.00260	0.4
119.04869	0.2
121.02824	3.3
123.00832	0.3
123.04437	0.4
124.01528	0.4
125.02315	2.2
127.03986	0.2
131.03412	0.2
131.04858	0.2
133.01314	0.6
133.02829	0.2
134.03606	0.3
135.04393	1.3
137.02327	1.5
138.03116	0.4
139.00299	0.4
143.10660	0.2
145.02853	0.9
147.04436	1.1
149.02296	0.3
150.03070	0.6
151.00284	0.4
151.03902	1.6
152.01070	0.5
152.04628	0.3
153.01875	0.3
153.05484	1.6
159.04424	0.2
161.02328	0.4
161.04514	0.4
161.05942	0.3
163.03905	1.5
165.01794	0.4
165.05461	0.5
167.03444	0.4
173.04498	0.4
174.03117	1.0
175.03909	4.8
176.04680	1.3
177.05493	0.8
179.03351	0.5
180.04204	2.4
181.04799	0.3
188.04744	0.9
189.05486	2.2
190.06279	5.4
191.05447	0.4
191.07051	4.1
192.04189	0.5
193.05020	2.9
194.05742	2.0
195.06407	0.4
197.04495	5.2
197.06210	0.2
203.07045	0.6
205.04964	0.3
205.08632	4.8
206.08894	0.4
207.06548	2.1
208.07324	2.6
209.04500	0.3
222.08904	0.4
223.05988	0.4
228.81058	0.2
240.04233	0.4
241.08734	0.3
254.05777	0.3
254.11658	0.3
255.10234	0.4
263.81540	0.2
269.08160	7.9
270.05637	0.2
270.08569	0.7
273.03995	0.3
281.08197	1.4
283.09720	3.1
284.10156	0.4
285.03946	0.8
295.09619	0.4
296.10675	0.4
298.12100	0.3
299.09253	4.7
311.09241	7.1
311.12827	0.5
312.09488	0.7
314.11566	11.1
315.12009	1.1
325.10818	0.9
326.11563	6.1
327.11972	0.7
329.13919	42.3
330.14276	3.8
341.13910	24.6
342.14301	2.6
351.14716	0.2
359.11139	0.3
359.15213	0.4
371.07370	0.3
374.13562	0.7
377.29071	0.9
389.16046	30.1
390.16412	2.7
419.17111	1.1
447.09509	0.4
501.16061	1.0
521.33301	3.1
522.33905	0.3
539.34357	0.9
581.14215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2236
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01746	2.9
57.03306	2.5
58.00454	2.4
59.00943	1.9
59.01244	39.4
67.19371	0.8
68.52433	0.9
70.02593	1.0
71.01249	31.3
71.12833	1.6
72.99168	4.8
73.02808	4.7
75.00751	1.6
83.01246	8.4
84.02061	0.9
85.02815	11.3
85.99930	1.5
87.00739	4.4
89.02313	18.1
93.03314	3.4
95.01237	5.1
96.95882	3.8
96.97973	0.8
97.02840	1.9
99.00755	3.1
101.02316	21.7
107.04917	0.9
108.02047	3.4
109.02828	2.6
111.00733	1.8
111.04429	1.2
113.02321	9.8
115.03874	3.7
117.01827	1.6
117.03381	0.9
118.34827	0.9
119.03394	9.5
119.04905	1.9
120.18292	0.9
121.02844	2.4
123.00748	9.9
123.04334	1.3
124.01563	3.6
125.02306	4.4
129.01860	1.3
130.97481	0.9
132.02069	1.3
133.02782	1.0
133.04909	1.0
134.03618	5.1
135.04405	4.5
137.02324	4.3
138.02153	1.7
138.03116	22.0
138.04105	1.4
139.03862	3.2
143.03389	3.1
147.88612	0.9
149.02336	9.7
150.03140	4.7
151.00269	2.6
151.03896	2.7
152.01027	4.8
153.01819	1.9
153.05470	15.2
155.57230	1.0
159.02931	0.9
160.01572	3.4
161.02383	1.3
161.04478	1.8
162.03133	1.1
163.03897	1.8
164.04668	3.7
165.01837	1.8
165.05493	3.6
166.02628	2.2
167.03352	1.6
168.00418	1.0
168.12584	1.0
173.04507	1.6
174.03203	1.0
175.00308	3.5
175.03883	4.7
177.01846	14.5
177.05466	1.4
179.03394	1.1
181.05019	1.5
187.03908	4.2
188.04745	1.7
189.05609	2.0
190.02678	3.2
191.03471	1.4
191.05536	3.6
192.04233	1.0
193.05048	6.4
193.06699	1.2
194.02153	1.5
195.02867	3.4
195.06532	4.1
201.05559	1.1
202.06221	4.6
203.07016	5.4
205.05003	4.2
206.05765	1.8
207.06577	1.7
209.04524	1.0
217.05161	0.9
219.06610	1.0
220.07327	1.0
221.08093	2.2
223.06053	6.1
224.92320	1.1
233.08144	11.8
247.06129	1.0
250.08398	1.2
250.63235	0.8
265.07147	1.4
272.03354	1.7
283.06186	0.9
286.04602	1.3
287.04819	1.3
293.04916	1.1
294.05228	1.0
298.04828	1.3
309.07672	1.0
309.57877	1.0
311.05435	1.3
312.06274	1.9
313.07166	2.8
314.11844	0.9
325.07056	1.4
326.07669	1.6
327.08881	3.4
328.09625	1.2
329.06497	1.2
329.10156	1.2
340.09641	1.8
341.09430	6.0
343.08081	2.1
343.11960	2.1
344.09018	3.5
355.12012	3.2
356.08902	2.0
358.10474	7.3
359.11261	13.9
360.11465	1.8
366.56970	0.9
371.11441	9.1
373.12906	15.1
386.13760	3.9
389.12274	7.1
391.14102	1.3
401.15970	6.7
402.16479	1.0
404.14822	6.6
405.15277	5.5
418.15866	1.1
419.17081	44.0
420.17331	4.2
461.13104	6.1
462.12924	1.0
566.19934	6.8
581.22485	100.0
582.22791	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	581.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61224	2.0
57.03286	2.1
59.01250	15.7
60.81521	1.8
71.01251	18.2
71.57896	1.9
71.58387	3.3
72.99188	3.7
83.01239	2.9
85.02824	10.2
87.00760	5.1
89.02319	9.9
93.03323	6.6
95.01265	6.3
96.95876	7.1
97.02788	2.7
101.02316	5.7
108.02031	5.3
109.02823	5.2
111.00720	3.6
113.02317	8.0
117.03350	4.5
119.01283	4.0
119.03388	3.8
119.04993	4.9
120.39201	2.0
121.02842	14.9
123.00764	27.3
123.04391	4.5
124.01567	6.0
125.02332	14.9
132.02078	4.5
133.02893	2.6
134.03636	24.4
135.04395	6.5
137.02361	7.0
138.03116	3.1
138.06279	1.9
139.00272	8.1
144.15047	2.0
145.02824	9.5
147.00784	4.1
147.04413	7.0
149.02341	61.5
149.06024	6.1
149.99500	4.9
150.03152	9.8
151.00331	2.3
151.03905	4.4
151.31522	1.8
152.01041	5.4
153.01784	3.7
153.05482	3.6
160.01605	12.1
161.02301	7.9
162.03096	11.7
163.00204	3.0
163.03931	5.8
164.04694	52.4
165.01823	8.1
165.05432	8.8
167.03418	8.9
168.00554	7.8
173.04402	3.7
175.00290	23.7
175.03905	14.4
177.01825	7.6
177.05429	9.4
178.02641	3.5
179.03433	3.1
179.07005	5.3
180.04172	3.8
190.02638	57.2
191.03297	5.6
191.05498	8.6
192.04268	3.7
192.79968	2.0
193.04961	23.5
194.99268	15.9
195.02922	2.5
195.06602	6.3
205.05003	60.7
206.05505	4.3
207.02528	2.3
207.06625	5.1
208.03641	8.1
223.06053	100.0
224.06319	6.0
241.45349	2.3
265.06973	3.6
279.71286	2.0
299.05240	2.2
299.09393	2.5
300.05487	2.9
313.05692	8.6
318.41751	2.4
328.05286	3.4
332.09225	3.8
347.11224	7.5
370.06357	2.3
371.06955	3.5
377.12384	9.1
389.16010	5.8
448.08810	2.5
461.10193	5.1
491.11285	6.5
533.16681	2.3
563.17725	5.7
581.13599	30.8
582.15283	3.8
583.92432	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	581.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.6
57.03315	1.0
59.01249	11.7
60.99169	0.9
61.98700	4.9
65.00166	0.5
67.01757	3.6
69.03321	1.4
71.01251	6.9
71.58204	0.4
71.58641	1.0
72.99181	1.1
73.02807	1.3
75.00740	1.5
77.01851	0.5
78.95794	0.6
79.92526	0.5
81.03326	1.0
83.01254	1.3
83.04899	1.1
84.23686	0.5
84.59310	0.5
85.02822	13.8
87.00742	4.2
88.98674	1.8
89.02306	1.9
91.01195	0.9
91.01767	17.4
93.03331	17.1
94.03706	0.5
95.01239	1.4
96.95896	3.2
99.00745	1.7
101.02312	3.2
107.04919	0.8
108.02047	1.3
109.02847	3.6
111.00764	1.2
111.04390	3.4
113.02325	3.0
119.03428	0.5
119.04905	4.1
121.02806	1.1
123.00742	0.9
123.04362	0.9
125.02330	2.5
127.03909	2.4
129.01811	1.0
133.02824	0.7
134.03641	1.3
135.00769	29.6
135.04391	2.2
136.01059	0.7
137.02367	4.0
143.03442	0.5
145.02847	1.4
149.02324	1.5
149.99454	0.9
150.03123	1.5
151.00310	0.5
151.03859	0.8
152.01010	1.4
153.01836	16.5
155.03374	1.5
159.04431	0.6
160.01573	1.3
161.02322	0.8
161.04472	0.8
163.03926	5.3
164.04694	0.7
165.01814	0.6
165.05479	1.7
165.12842	0.6
167.03328	0.8
168.00580	1.2
169.05077	0.6
171.02879	0.7
171.10164	0.7
172.10519	0.6
173.04466	38.9
174.04803	1.1
175.00220	0.5
175.03954	1.4
187.07474	0.7
188.00972	0.8
190.02678	1.2
191.01900	2.2
191.05533	100.0
192.05812	3.3
193.04984	1.7
195.06540	1.2
205.05028	1.2
223.06047	1.3
233.08124	0.5
241.05009	0.9
243.06555	2.0
253.04890	0.7
255.06682	1.3
269.04626	0.9
297.03979	1.9
298.04767	9.4
299.05539	2.4
313.07043	1.2
337.09268	17.2
338.09506	1.0
344.05173	0.6
350.07837	0.6
368.08884	2.2
383.11337	24.5
384.11636	2.1
389.16028	0.7
461.31363	0.6
473.10886	14.7
474.11157	1.5
491.11563	0.7
492.86118	0.5
521.29315	2.3
539.30475	1.9
563.21680	0.6
580.30365	1.0
581.22931	1.6
581.32367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.7
59.01245	0.8
63.02281	0.2
65.00198	0.8
69.03308	0.4
69.58814	0.6
69.59225	0.9
71.01250	0.5
73.02818	0.3
81.03328	9.4
82.03696	0.2
83.01251	4.1
83.01708	0.3
84.57545	0.2
90.94829	0.2
93.03331	6.5
93.53045	0.2
94.86514	0.2
95.01251	0.6
95.04874	0.6
99.04404	0.2
101.02360	0.2
107.01273	0.9
108.02065	0.4
109.89860	0.2
119.04912	9.4
123.04404	29.7
124.04731	1.1
125.02335	16.7
126.02654	0.6
135.04387	1.5
137.02356	0.3
147.04472	0.3
149.02342	1.9
151.00259	3.1
152.00848	0.3
153.01888	0.6
161.02281	0.3
163.03906	0.4
166.02586	0.5
167.03404	82.6
168.03769	2.8
169.06616	0.3
171.35497	0.2
179.03409	8.6
180.03748	0.3
181.04926	0.3
187.07607	0.3
189.05476	1.8
191.03444	1.1
209.08044	0.3
211.07559	0.3
229.08698	0.6
255.06564	0.7
269.04388	0.6
269.08127	0.3
270.04999	0.3
271.05032	0.4
273.07663	100.0
274.07999	8.0
297.07678	0.5
315.08676	0.2
419.16223	0.3
433.13461	0.9
521.33051	0.4
581.18671	17.2
582.18909	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	579.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	100.0
60.14754	13.5
61.98698	17.0
69.55116	60.1
69.55561	63.5
71.01241	36.0
76.26591	13.9
78.95779	28.9
85.61967	13.0
93.03355	20.8
96.95898	23.1
101.02341	19.6
103.91792	12.6
125.02347	14.5
131.62076	13.1
134.03650	14.5
135.04393	30.9
137.02382	25.6
155.94647	13.8
160.01563	17.1
161.02312	19.2
173.04355	14.8
199.39122	14.0
207.06642	17.4
209.11674	21.1
210.03360	13.5
260.22702	14.2
269.04523	18.4
270.59079	13.2
284.03156	17.5
285.03925	72.2
579.12091	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	581.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96930	1.4
57.02210	1.4
57.03333	4.1
58.01425	1.4
59.01244	6.5
63.07224	1.3
68.99663	1.6
69.03328	3.2
70.03831	6.7
71.01257	8.3
71.61360	1.6
73.02834	3.6
75.00735	2.1
78.88101	1.3
81.03332	20.0
83.01249	15.5
85.02830	6.9
87.00713	3.8
93.03339	6.5
95.01259	6.8
95.04903	8.5
96.95890	4.9
97.02813	14.9
99.00761	1.9
99.04389	9.9
101.02329	2.4
107.04913	3.4
109.02839	9.9
111.00809	2.3
111.04404	6.9
113.02331	7.1
117.03351	4.8
119.04912	3.8
121.02868	8.9
121.06448	1.8
123.00746	2.3
123.04410	37.1
124.01486	1.6
124.04794	2.0
125.02341	51.1
126.14431	1.6
132.63036	1.4
133.06595	1.6
134.03668	2.8
135.04405	8.1
137.02347	20.5
137.05983	3.5
138.03098	2.0
138.66879	1.7
139.03883	7.0
145.02904	1.6
147.04443	3.1
149.02354	12.1
149.06052	3.2
151.03922	10.6
153.01926	2.1
153.05499	5.3
155.03398	4.0
157.82312	1.8
161.02393	3.6
162.03165	2.0
163.03893	4.4
164.04681	5.3
165.01846	4.6
165.05487	5.3
166.02618	2.4
167.03419	64.0
167.04846	3.1
168.03806	2.7
173.04494	2.9
175.00194	2.8
177.01913	3.4
177.05510	4.7
178.02576	2.6
179.01988	2.5
179.03424	21.1
181.05042	4.3
181.99620	1.6
190.02637	4.0
191.03423	4.3
191.05557	5.5
193.01245	1.6
193.05019	5.5
195.06479	2.1
195.21013	1.5
197.04501	18.0
205.05016	7.1
207.02704	2.0
209.04489	100.0
210.04874	2.5
220.78932	1.6
221.04480	7.5
223.06027	13.4
239.05559	96.1
240.05923	3.7
251.05548	4.5
263.05576	2.0
269.06696	45.4
273.07614	1.7
281.06656	12.1
297.07520	1.8
299.07663	15.4
311.07639	10.0
329.08838	18.5
330.08960	2.5
333.74976	1.6
341.08829	4.1
359.09946	3.2
371.07727	31.9
372.07709	2.6
383.07822	4.4
401.08694	29.7
402.08868	2.6
413.09021	1.7
419.11917	12.7
424.83316	1.5
431.09848	10.3
437.62717	1.4
443.09702	4.3
461.10852	14.6
471.96713	1.6
473.10992	4.5
491.12161	12.1
503.11749	1.7
563.13318	1.9
581.14801	18.4
582.15106	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96106	1.2
65.71017	0.6
68.13630	0.6
69.03320	1.1
70.00649	1.0
70.01044	1.5
71.01250	8.3
73.02813	1.4
73.85072	0.5
78.98464	6.7
79.95611	10.9
80.96391	78.5
81.03320	1.1
85.02809	3.3
87.00748	3.2
94.97958	17.3
96.95897	3.1
97.02834	1.7
99.09745	0.7
101.02330	2.3
106.97939	3.2
113.02338	1.2
115.29414	0.6
122.97484	3.5
123.35271	0.5
125.02310	2.1
127.03902	0.9
129.53937	0.5
134.97488	5.9
136.99026	1.7
148.99022	8.3
152.98517	6.9
164.98555	11.9
206.99648	3.0
225.00691	14.4
279.23325	1.6
299.04453	3.3
362.03040	0.7
419.91858	0.6
436.33011	0.6
499.04901	0.7
552.23798	0.6
579.28442	100.0
580.28821	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	579.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	5.7
57.03321	15.8
59.01248	100.0
60.67821	4.7
61.98702	64.2
62.65595	5.6
69.03310	10.4
71.01251	41.5
72.99155	17.7
73.02803	11.0
75.00742	17.9
78.95767	6.9
83.01250	9.7
85.02829	36.1
87.00734	9.1
89.02306	22.2
93.03323	12.6
93.08957	5.5
95.01251	11.9
96.95886	24.3
99.00709	14.2
101.02306	19.6
108.02035	14.9
109.02796	16.3
109.06447	6.4
113.02310	20.9
119.03432	7.6
119.04882	5.7
121.02823	7.4
125.02308	8.2
129.01799	10.2
133.02803	8.6
134.03610	8.6
135.04465	5.9
137.02354	11.7
147.04442	5.3
149.02336	14.6
151.00206	10.6
152.01028	23.5
153.01773	8.4
161.02419	5.8
161.04414	8.8
164.01013	7.3
164.04697	6.2
165.12738	9.9
171.07903	6.6
171.10121	6.0
175.00363	8.1
175.03883	10.5
181.04933	8.7
183.13855	12.7
190.02687	14.2
205.05038	15.6
209.11775	6.6
225.14876	8.1
243.06543	7.3
244.80196	5.1
249.05959	5.9
250.26822	5.3
253.09340	14.5
267.07510	5.2
269.04572	10.2
270.04810	7.6
284.03088	7.5
285.04105	37.4
289.18115	36.3
311.22247	5.4
331.19086	6.5
343.24835	21.4
359.15051	6.5
359.28027	7.1
459.29654	15.3
579.15173	13.3
579.25085	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	70.7
61.98705	23.8
69.03305	11.8
71.01243	29.3
78.95758	18.0
85.02782	25.4
93.03336	9.7
96.95887	19.9
98.20544	26.6
99.00697	11.7
101.00486	10.1
109.02774	15.2
111.04392	9.9
113.02331	11.0
125.02341	14.9
133.02821	21.1
134.03600	22.4
137.02272	9.9
149.02359	10.6
152.01027	14.0
153.01741	14.7
155.77657	12.5
158.06715	11.2
160.01578	11.4
171.10196	15.5
177.01711	12.5
178.02625	27.6
179.03523	10.9
205.05034	14.3
209.11545	18.2
253.09146	13.9
254.50720	10.7
269.04547	27.6
275.09161	36.0
284.03079	12.9
284.39047	10.9
285.03995	100.0
289.18054	15.5
307.19086	20.5
313.31137	9.9
329.33530	10.3
398.79175	11.2
447.09164	10.8
504.13687	13.7
579.13190	21.9
579.26563	20.7
580.13806	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	579.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07821	11.2
59.01253	73.6
61.98680	16.6
69.27625	11.9
69.34200	75.4
69.34628	43.7
71.01263	25.4
78.95761	19.2
85.04620	11.5
93.03318	13.1
96.95882	12.3
101.01402	11.5
101.02179	10.7
111.04331	14.7
112.24169	12.3
115.33105	12.0
145.75423	11.1
209.11800	22.5
253.09381	23.0
269.04401	30.6
285.03989	100.0
307.19052	38.8
361.11017	33.1
516.86151	13.2
543.27924	17.2
579.14374	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	66.8
61.98687	31.3
67.01762	13.3
71.01237	30.3
72.38356	13.7
74.76512	13.0
78.95772	53.4
93.03338	36.6
93.68766	14.1
101.02352	17.3
102.20239	12.9
104.47649	13.4
107.34888	12.4
108.02096	12.4
134.60181	11.9
144.19937	12.7
151.65962	12.2
163.45006	13.2
165.12750	20.0
173.04463	20.2
177.01955	13.4
183.13896	15.4
190.02756	14.8
203.80446	13.3
270.04962	21.6
284.03250	24.9
285.04041	100.0
289.18002	25.5
579.13422	49.0
579.25415	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
57.03303	1.0
57.86637	0.3
58.00459	0.5
59.01249	17.6
59.41908	0.3
61.98682	1.0
65.00188	0.3
67.01748	0.4
69.03325	2.2
69.31857	1.6
69.32295	1.3
71.01247	15.2
71.04881	1.6
72.99181	1.2
73.02811	1.5
75.00736	0.3
79.42288	0.3
81.03307	0.6
83.01250	2.0
85.02821	4.8
87.00731	1.1
89.02311	8.8
89.03825	0.4
91.01768	2.8
93.03323	1.0
95.01238	1.3
96.95884	0.4
97.02824	0.7
99.00732	1.0
101.02316	9.0
107.01249	0.5
107.04887	0.5
107.48961	0.3
108.02047	4.8
109.02877	1.4
109.06482	0.4
109.94556	0.3
113.02308	4.8
115.21109	0.3
116.23514	0.4
117.03333	1.2
119.03369	3.5
121.02809	0.5
123.00762	1.1
123.08037	1.8
125.02315	1.1
131.03436	0.5
132.02037	2.1
133.02856	2.5
134.03624	13.9
135.00768	3.8
135.04436	2.5
137.02316	1.9
147.04388	0.5
149.02309	0.9
149.05940	1.0
151.00212	0.7
151.11235	0.3
152.01051	5.3
153.01822	1.7
160.01559	9.6
161.02341	9.7
161.04367	0.7
162.02701	0.4
163.03934	0.6
163.11217	1.4
164.04649	0.6
164.92441	0.3
165.01744	0.3
165.05479	0.5
167.03357	0.4
175.00294	0.7
175.03905	10.6
176.04500	1.0
177.01796	0.6
177.12798	0.4
179.03337	1.5
179.14357	3.0
190.02608	2.4
191.05527	0.6
191.07063	0.5
192.04272	0.3
193.04987	5.0
195.13722	0.3
197.06032	0.5
197.15399	0.5
205.04939	1.7
205.12296	0.4
207.06531	0.3
213.05565	0.4
223.06065	0.7
223.13329	20.2
224.13672	1.0
241.14400	2.9
242.05771	1.3
243.06577	23.7
244.06949	1.6
261.50659	0.3
269.04401	0.3
269.09729	0.3
285.04135	1.6
285.07291	0.3
343.10861	0.3
385.18686	4.9
386.18948	0.6
387.10748	0.8
403.19681	100.0
404.19998	9.1
405.11945	0.7
446.85294	0.3
447.13229	0.5
459.23160	0.4
519.14960	1.9
519.31940	0.5
537.16113	6.4
538.16412	0.7
579.24438	22.0
580.24817	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97789	0.6
53.94595	0.5
57.03310	0.8
59.01249	14.5
61.98700	2.0
65.00200	0.8
69.03352	0.6
71.01256	7.2
71.58040	0.6
72.99194	1.3
73.02825	2.5
75.00741	1.7
83.01258	1.1
83.04877	0.5
85.02834	4.4
87.00774	0.9
89.02299	3.2
91.01765	2.7
91.05403	0.8
93.03328	2.8
94.25416	0.5
95.01255	1.0
96.95867	0.8
97.02840	0.8
99.00737	0.9
101.02321	4.0
102.02695	0.7
105.03326	0.5
107.04896	1.7
108.02029	3.0
109.02826	1.6
113.02323	3.2
119.01271	8.4
119.03375	0.7
119.04887	0.9
121.02827	3.5
123.04382	0.9
124.01522	0.6
125.02334	1.6
126.12331	0.5
129.01791	0.6
132.02052	0.7
133.02835	1.1
133.04967	0.8
134.03622	4.4
135.00790	0.6
135.04437	4.9
137.02319	4.6
138.02734	0.5
141.04047	0.7
147.00771	6.2
147.04398	1.3
149.02336	16.2
149.05988	0.6
150.02921	0.9
151.00259	0.6
151.03986	0.5
152.01050	3.6
153.01851	1.5
161.02322	1.0
161.04448	0.9
162.03133	1.6
163.03914	5.9
164.04701	17.5
165.01865	2.6
165.05179	0.7
166.02611	1.1
167.03403	0.7
168.00595	0.7
171.04385	0.5
173.04489	0.6
175.00279	42.2
176.00711	3.1
177.01865	1.1
177.05632	0.5
179.03363	0.7
179.05728	0.6
179.07030	3.5
181.04898	0.9
189.01868	0.7
190.02634	100.0
191.03008	7.4
191.05487	0.9
191.63644	0.4
192.03131	0.6
193.01323	0.6
193.05020	0.9
205.04991	89.9
206.05350	5.5
207.02971	1.4
208.03738	0.9
209.04555	0.9
223.06062	29.8
224.06477	2.7
225.14941	0.8
226.15262	0.5
233.04518	0.6
243.06567	1.0
253.09248	0.8
269.04520	1.2
284.03644	0.6
285.04022	1.8
341.23260	2.1
342.23660	3.7
343.23923	1.6
364.19495	0.6
471.03998	0.6
503.42471	0.5
519.22223	0.8
537.23364	0.9
564.22015	1.5
578.26685	0.8
579.24420	70.0
580.24835	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	579.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.6
55.84030	0.3
57.03331	1.6
57.03570	0.3
58.00459	1.0
59.01248	31.6
61.98696	1.6
65.00189	0.9
67.01747	0.7
68.99657	0.4
69.03318	2.0
71.01248	21.0
71.04884	2.0
71.58379	0.4
71.58742	0.5
72.01603	0.6
72.99174	2.1
73.02800	2.9
75.00751	1.7
78.95771	0.6
80.02567	0.3
81.03323	1.4
83.01224	1.7
83.04880	0.7
85.02816	6.9
87.00748	1.8
89.02313	15.3
89.03840	0.5
91.01767	10.3
93.03330	1.4
95.01260	2.5
96.95888	0.6
97.02834	1.2
99.00745	1.6
101.02316	9.4
107.01263	0.9
107.04931	0.4
108.02046	15.8
109.02839	5.9
111.00729	0.7
113.01572	0.2
113.02316	6.2
117.03327	1.4
119.03389	2.6
119.04892	0.5
121.02830	1.4
123.00757	5.2
123.04404	0.9
123.08053	2.2
124.01610	0.7
125.02311	1.5
129.01839	0.5
131.03375	0.5
132.02063	1.8
133.02840	3.5
134.03618	12.6
135.00761	11.1
135.04448	3.1
137.02333	3.5
139.00230	0.6
146.03510	0.4
147.04398	0.9
149.02351	2.4
149.04379	0.4
149.05956	1.4
150.03128	0.4
151.00275	2.3
151.03899	0.5
151.11203	0.4
152.01047	16.2
153.01730	1.4
158.03670	0.4
160.01558	11.5
161.02338	9.7
161.04396	0.7
161.05901	0.4
162.02635	0.6
163.03941	1.2
163.11154	1.2
164.04665	1.2
165.05423	0.6
168.00528	0.4
171.10152	1.1
173.04558	0.4
175.00282	1.3
175.03902	9.2
176.04347	0.8
177.01820	1.4
177.05498	0.8
177.12730	0.4
178.02545	0.4
179.03403	1.4
179.05618	0.4
179.07056	1.2
179.14299	2.8
181.04999	0.4
190.02637	3.1
191.03294	0.6
191.05518	0.7
191.07098	0.5
193.05000	4.6
195.13750	0.4
197.05960	0.6
197.15434	0.7
199.07545	0.4
205.04959	2.6
207.06631	0.4
213.05511	1.0
215.07037	1.1
223.05984	1.1
223.13332	20.3
224.13663	1.2
237.89578	0.4
241.05373	0.3
241.14388	3.1
242.05833	1.8
243.06583	66.4
244.06915	5.3
253.09041	0.4
269.04391	1.1
270.04999	0.6
271.05243	0.5
272.59897	0.3
284.03256	0.6
285.04062	3.5
315.07257	0.7
341.23264	1.4
342.23682	1.4
343.23923	0.9
385.18616	4.4
387.10779	1.4
403.19678	100.0
404.20041	10.5
405.12006	0.4
447.12924	8.7
448.13321	1.3
462.46799	0.4
471.11322	1.9
475.32773	1.6
519.15259	1.0
519.39270	1.1
537.16467	2.2
579.16986	29.6
579.24652	21.5
580.17499	5.3
580.24951	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	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37344	0.7
53.44180	0.6
54.72214	0.6
57.03328	0.9
59.01250	6.6
69.74062	4.7
71.01243	3.1
72.99169	0.7
73.02811	1.5
75.00760	0.7
76.36899	0.6
83.01250	0.9
85.02824	4.9
89.02349	1.4
93.03345	5.8
95.01269	1.2
96.95890	0.7
98.20480	1.0
107.01321	0.8
108.02052	1.2
109.02829	2.9
111.00730	0.7
111.04402	1.2
112.98689	1.0
113.02306	0.9
117.03390	1.3
119.04910	12.8
121.02827	1.7
123.00751	2.2
125.02315	1.7
131.01276	3.3
133.02879	1.5
134.26637	0.9
136.01526	1.6
137.02342	9.9
145.02818	1.6
149.02344	2.5
150.03091	1.1
151.00272	17.5
151.03880	1.9
152.01021	1.7
152.04694	2.4
153.01857	1.6
155.03442	0.9
161.04462	0.9
163.00227	1.3
163.03896	1.8
164.01079	1.0
165.01888	2.3
165.05424	1.0
166.02626	62.8
167.03322	4.5
173.04469	4.2
175.00287	11.4
175.02505	0.9
175.03943	2.1
177.01794	4.2
178.02504	0.8
179.03352	0.7
181.04984	80.0
182.05344	2.9
184.03697	1.5
189.01892	1.2
190.02672	0.8
190.06212	0.9
191.03470	1.3
191.05553	4.9
192.04236	1.9
193.01392	3.4
193.04959	2.0
195.02788	0.9
195.06607	1.1
205.01186	1.0
205.37204	0.8
207.06580	1.2
211.07692	0.9
225.11110	0.7
271.06168	2.4
283.06082	1.2
285.04041	5.0
295.06134	10.6
296.06668	1.2
312.06186	1.0
313.03574	1.0
313.07053	10.3
314.07596	1.0
325.07010	1.0
327.05319	0.9
327.08749	3.5
337.09412	0.8
343.08173	3.5
359.11334	1.2
387.10849	17.4
388.11209	2.0
399.07321	1.5
402.13141	7.2
415.10223	2.1
417.15533	100.0
418.15872	11.6
459.13333	5.8
489.10327	3.1
491.11539	1.1
492.13089	1.2
579.17542	14.0
580.17108	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	579.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67117	0.4
57.03323	0.5
59.01249	2.8
63.33920	0.3
67.01738	0.4
68.87141	0.4
68.99690	0.4
69.03333	0.8
71.01246	3.0
73.02812	0.6
75.00754	0.5
79.01794	0.6
81.03357	0.6
85.02814	3.0
87.00749	0.9
87.07449	0.4
89.02296	0.9
89.65720	0.4
91.89446	0.4
93.03328	4.2
95.01283	1.7
96.95885	0.9
97.02821	0.5
99.00776	0.5
101.02310	1.0
108.02066	1.7
109.02831	4.9
111.00774	1.0
112.98688	1.1
113.02328	0.9
115.00256	0.9
117.03361	0.9
119.04912	4.6
121.02808	1.9
123.00766	3.7
123.04423	1.2
124.01587	0.6
125.02322	2.6
129.01785	0.4
131.01256	1.0
132.31381	0.4
133.02852	1.7
134.03654	1.0
135.04413	1.3
136.01549	1.1
137.02342	14.0
138.02963	0.4
139.00290	0.6
139.03848	0.6
145.02867	0.9
147.04471	0.7
147.33185	0.4
149.02362	2.4
149.06050	0.4
150.03143	1.8
151.00272	26.0
151.03920	2.5
152.01094	3.4
152.04659	2.8
152.48999	0.4
153.01866	0.9
153.05505	0.7
154.02675	0.5
155.03464	0.4
155.64011	0.4
159.04430	0.9
160.01585	0.7
161.02361	1.3
161.04468	1.0
161.05807	0.4
163.00247	0.7
163.03903	2.5
164.00989	0.4
164.04668	1.1
165.01906	1.9
165.05441	0.7
166.02628	73.6
167.03316	4.9
168.04012	0.4
173.02400	0.5
173.02931	0.4
173.04471	3.1
175.00281	2.8
175.02533	0.9
175.03867	1.9
176.00949	0.5
176.04158	0.4
177.01866	4.7
177.05432	0.8
178.02589	0.9
179.03441	1.4
181.04987	78.8
182.05313	3.6
184.03680	1.2
187.03900	0.9
189.01945	0.6
189.05518	0.5
190.02774	0.7
190.06261	1.1
191.03419	1.7
191.05554	3.8
192.04173	1.4
193.01337	0.9
193.04976	1.4
195.02948	0.8
203.03506	0.5
204.04102	0.6
205.01402	0.6
205.04987	1.5
205.08670	1.0
207.02887	1.0
207.06615	1.4
209.04436	0.5
211.07666	0.8
217.04868	0.5
219.06506	0.6
220.03696	0.5
223.07739	0.4
225.05589	0.4
225.11310	0.5
230.88159	0.4
245.04929	0.5
255.06583	0.5
269.04541	0.7
271.06152	0.9
281.04645	0.7
283.05939	0.7
285.04016	1.1
295.06107	2.6
296.06720	0.4
297.03934	1.0
298.04810	3.7
299.05466	0.8
301.07211	0.6
304.52701	0.4
311.05627	1.1
311.09354	0.4
312.06693	0.5
313.03491	2.5
313.07187	3.6
314.07666	0.7
316.09616	0.7
316.56500	0.4
325.07178	0.7
326.04269	0.6
327.05078	1.6
327.08731	1.0
339.05167	1.1
340.05542	0.5
341.10110	0.4
343.08041	0.7
357.06094	0.6
357.09845	0.5
359.11423	2.5
369.06244	2.5
371.15100	0.5
387.10852	17.2
388.11273	1.7
399.07175	1.6
402.13278	6.4
403.13583	0.7
415.10153	0.5
417.15530	100.0
418.15891	12.6
429.08081	0.6
446.08344	1.3
447.08981	0.6
459.09155	1.6
459.13968	0.7
471.09052	0.5
489.10379	5.9
490.10608	0.8
491.12146	1.1
493.47894	0.5
519.11249	0.5
561.12927	0.7
579.12988	8.8
580.13336	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	579.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.9
56.89180	1.4
57.03326	3.1
59.01247	28.4
63.02266	2.9
65.00187	12.6
67.01770	2.2
68.99681	1.3
69.03329	5.1
71.01250	15.2
71.58610	1.7
72.16269	1.1
72.99171	2.9
73.02816	5.4
75.00741	1.8
83.01239	11.6
85.02814	18.9
87.00755	7.0
89.02299	7.7
91.55957	1.2
93.03334	28.8
94.40902	1.3
95.01253	2.1
96.95887	5.7
97.02816	2.8
97.93661	1.2
99.00755	3.8
101.02336	5.8
103.03885	2.4
105.03336	1.5
107.01273	19.0
108.02069	3.3
109.02839	5.1
111.00775	4.7
111.04430	2.1
112.31725	1.3
112.98707	5.2
113.02331	3.8
113.03549	1.3
117.03353	2.5
119.04910	77.8
120.05249	2.3
121.02839	4.6
123.00747	2.6
123.04399	3.2
124.01521	1.3
125.02346	9.1
127.03890	1.9
129.01892	1.9
131.01292	14.0
133.02856	4.1
134.03648	4.7
135.04431	7.6
136.01567	5.1
137.02353	6.6
137.03304	1.2
139.00269	2.1
143.04936	2.9
145.02861	10.4
147.04433	2.1
149.02344	9.2
150.03119	5.5
151.00266	76.8
151.03905	4.2
152.00955	3.1
153.01877	2.1
161.02388	5.3
161.04550	1.9
161.05980	3.6
163.00298	5.8
163.03951	6.8
163.06065	2.1
164.01038	3.7
164.04643	2.5
165.01804	11.0
165.05461	8.0
166.02589	3.2
167.03459	2.9
169.01357	5.1
173.02196	1.8
173.04448	13.7
174.01595	1.8
174.98769	2.5
175.00281	46.9
175.02501	1.8
175.03862	3.1
176.00761	2.5
177.01842	8.2
178.02663	1.9
179.03424	3.8
181.04997	2.8
185.00917	1.9
185.06015	3.5
187.03969	5.9
189.01892	4.6
190.02666	2.8
191.03621	3.0
191.05559	17.6
191.07085	1.8
193.01343	11.6
193.02878	1.7
193.05043	5.5
194.05643	1.5
195.06548	3.7
201.01875	1.5
203.03514	1.7
205.01395	2.3
205.03314	1.8
205.05040	2.6
209.08084	1.6
211.07622	3.3
211.72598	1.3
217.01338	3.2
219.03021	1.8
223.02490	2.2
223.04373	1.8
227.07126	4.4
265.08575	1.7
271.06110	92.5
272.06540	6.1
283.06198	4.0
284.03348	2.6
284.06839	2.3
285.03928	8.7
295.06094	47.8
296.06479	2.8
312.06482	2.9
313.03476	2.8
313.07153	45.4
314.07599	3.9
325.07208	4.0
327.05103	1.9
327.08606	6.6
337.07077	2.0
337.09186	1.4
339.12280	6.6
343.08185	13.4
355.07855	2.2
369.05759	1.9
399.07394	2.2
415.10269	9.8
417.15549	2.5
433.11401	3.5
459.12918	32.2
460.13345	2.6
461.14746	3.0
489.10312	2.6
579.17194	100.0
580.17676	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	579.1725
Annotation	Chalconaringenin 2'-rhamnosyl-(1->4)-glucoside
Peak:m/z	Relative Intensity
55.01748	1.9
56.89180	1.4
57.03326	3.1
59.01247	28.4
63.02266	2.9
65.00187	12.6
67.01770	2.2
68.99681	1.3
69.03329	5.1
71.01250	15.2
71.58610	1.7
72.16269	1.1
72.99171	2.9
73.02816	5.4
75.00741	1.8
83.01239	11.6
85.02814	18.9
87.00755	7.0
89.02299	7.7
91.55957	1.2
93.03334	28.8
94.40902	1.3
95.01253	2.1
96.95887	5.7
97.02816	2.8
97.93661	1.2
99.00755	3.8
101.02336	5.8
103.03885	2.4
105.03336	1.5
107.01273	19.0
108.02069	3.3
109.02839	5.1
111.00775	4.7
111.04430	2.1
112.31725	1.3
112.98707	5.2
113.02331	3.8
113.03549	1.3
117.03353	2.5
119.04910	77.8
120.05249	2.3
121.02839	4.6
123.00747	2.6
123.04399	3.2
124.01521	1.3
125.02346	9.1
127.03890	1.9
129.01892	1.9
131.01292	14.0
133.02856	4.1
134.03648	4.7
135.04431	7.6
136.01567	5.1
137.02353	6.6
137.03304	1.2
139.00269	2.1
143.04936	2.9
145.02861	10.4
147.04433	2.1
149.02344	9.2
150.03119	5.5
151.00266	76.8
151.03905	4.2
152.00955	3.1
153.01877	2.1
161.02388	5.3
161.04550	1.9
161.05980	3.6
163.00298	5.8
163.03951	6.8
163.06065	2.1
164.01038	3.7
164.04643	2.5
165.01804	11.0
165.05461	8.0
166.02589	3.2
167.03459	2.9
169.01357	5.1
173.02196	1.8
173.04448	13.7
174.01595	1.8
174.98769	2.5
175.00281	46.9
175.02501	1.8
175.03862	3.1
176.00761	2.5
177.01842	8.2
178.02663	1.9
179.03424	3.8
181.04997	2.8
185.00917	1.9
185.06015	3.5
187.03969	5.9
189.01892	4.6
190.02666	2.8
191.03621	3.0
191.05559	17.6
191.07085	1.8
193.01343	11.6
193.02878	1.7
193.05043	5.5
194.05643	1.5
195.06548	3.7
201.01875	1.5
203.03514	1.7
205.01395	2.3
205.03314	1.8
205.05040	2.6
209.08084	1.6
211.07622	3.3
211.72598	1.3
217.01338	3.2
219.03021	1.8
223.02490	2.2
223.04373	1.8
227.07126	4.4
265.08575	1.7
271.06110	92.5
272.06540	6.1
283.06198	4.0
284.03348	2.6
284.06839	2.3
285.03928	8.7
295.06094	47.8
296.06479	2.8
312.06482	2.9
313.03476	2.8
313.07153	45.4
314.07599	3.9
325.07208	4.0
327.05103	1.9
327.08606	6.6
337.07077	2.0
337.09186	1.4
339.12280	6.6
343.08185	13.4
355.07855	2.2
369.05759	1.9
399.07394	2.2
415.10269	9.8
417.15549	2.5
433.11401	3.5
459.12918	32.2
460.13345	2.6
461.14746	3.0
489.10312	2.6
579.17194	100.0
580.17676	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	579.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02269	0.4
55.01749	0.7
57.03314	0.8
59.01247	11.8
61.98688	1.0
68.99670	0.8
69.03323	18.7
70.47530	1.6
71.01252	7.1
72.99179	1.4
73.02816	4.2
75.00748	1.0
75.60766	0.4
79.01766	1.7
81.03321	1.7
83.01253	1.6
85.02814	4.4
87.00758	1.2
89.02303	2.0
93.03322	1.0
95.01260	2.8
96.95863	1.0
97.02821	10.9
98.20658	0.4
99.00745	4.6
101.02301	3.6
102.52850	0.4
107.01266	8.9
108.02047	43.5
109.02850	9.2
113.02322	6.9
117.03338	0.6
119.04884	0.6
121.02827	1.7
123.00777	2.9
123.04401	1.0
125.02328	29.3
126.02667	0.7
133.02821	0.5
134.03676	0.5
135.00768	31.0
135.04411	1.4
136.01195	0.6
137.02350	2.7
143.03412	0.7
145.02837	1.0
147.04411	0.5
149.02385	0.8
151.00267	8.7
151.03839	0.6
152.01047	100.0
153.01799	5.5
160.01541	0.5
161.02353	0.5
161.04408	1.0
163.03850	2.3
164.04703	0.6
165.05499	0.6
167.03407	1.0
175.00294	0.8
175.03922	1.1
177.01822	2.2
179.03375	1.8
190.02596	3.6
191.03223	0.7
191.05501	1.3
193.05063	0.8
197.05978	1.6
205.04955	2.7
216.34486	0.5
223.06042	1.1
242.05757	7.0
243.06573	52.3
244.06946	3.5
269.04532	0.5
284.03467	0.4
285.04126	2.3
285.07397	0.5
293.08942	0.5
297.06442	0.5
315.07196	2.1
339.07123	0.6
341.23346	0.5
342.23480	1.1
357.08240	5.0
387.10745	1.0
403.19907	0.6
405.11929	1.4
406.64697	0.4
411.09213	1.0
417.15311	0.5
429.10333	12.4
430.10806	1.2
447.12936	10.6
448.13409	1.2
459.30167	0.5
471.11389	51.9
472.11887	5.0
519.15350	1.2
519.32019	0.6
537.16071	10.0
538.16412	1.0
579.16437	10.0
579.34283	0.4
580.17230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1721
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
51.53311	0.6
59.01239	3.2
63.02257	2.2
65.00191	14.1
69.58968	4.1
69.59382	1.2
71.01254	2.0
83.01253	8.0
85.02825	0.9
90.80743	0.8
93.03322	6.9
101.02293	1.0
107.01268	22.3
117.03340	1.7
119.04910	39.4
120.05231	1.6
125.02329	5.1
133.02806	0.7
136.01578	1.1
145.02864	5.6
151.00266	88.4
152.00600	2.8
161.06030	1.0
164.01132	1.6
165.01830	3.4
166.02596	0.9
169.01305	2.6
175.00266	1.4
175.03853	1.0
177.01855	6.0
181.04994	1.7
185.05971	1.6
187.03903	3.2
193.01379	1.5
193.04921	1.2
227.07050	2.2
235.02405	1.8
241.30400	0.9
268.03821	1.3
269.04501	7.3
270.04868	4.2
271.06113	56.2
272.06461	4.6
313.07117	2.8
373.09201	2.0
417.15524	3.2
433.96854	0.8
459.11465	21.7
460.12140	2.2
519.31525	2.1
537.32507	0.9
555.67529	0.9
579.17084	100.0
580.17529	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	579.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.5
56.89216	0.4
57.03304	1.4
59.01247	15.0
59.91104	0.4
61.98703	2.6
67.01772	0.8
69.03323	2.7
71.01249	10.7
71.04877	0.9
71.58686	0.6
72.99170	1.4
73.02822	2.3
75.00740	1.4
78.95758	0.5
80.02564	0.4
81.03326	1.5
83.01241	1.4
85.02818	4.1
87.00754	1.3
88.98657	0.5
89.02319	6.3
91.01765	12.8
92.02105	0.5
93.03323	2.0
95.01266	2.1
95.04865	0.4
96.95866	0.8
97.02821	1.5
97.06505	0.4
99.00751	1.0
101.02319	4.5
107.01262	0.9
107.04896	1.0
108.02050	16.3
109.02853	5.7
111.00744	0.5
113.02326	3.7
117.03336	0.6
119.01230	0.4
119.03356	1.0
119.04830	0.6
121.02844	1.7
123.00767	6.8
123.04390	1.1
123.07950	0.4
124.01525	1.0
125.02345	1.9
129.01863	0.6
131.03401	0.5
132.02049	1.1
133.02841	1.5
134.03622	4.8
135.00763	14.4
135.04379	1.4
137.02350	5.3
138.02753	0.4
143.03391	0.4
145.02847	0.6
145.88757	0.4
149.02336	2.0
151.00264	2.4
151.03885	0.6
152.01051	18.5
152.99489	0.4
153.01859	4.3
160.01552	3.0
161.02357	2.8
161.04405	0.5
163.03917	1.0
163.06123	0.4
164.04643	0.6
165.01826	0.7
165.05489	0.9
167.03354	1.1
168.00557	0.5
173.04428	0.7
175.00287	2.4
175.03931	3.1
177.01840	0.9
178.70958	0.4
179.03427	0.8
190.02657	4.3
191.03432	0.8
191.05518	1.3
193.04993	2.1
197.05923	1.2
199.07529	0.5
205.05000	4.9
205.06857	0.6
207.02917	0.4
208.03687	0.5
213.05504	1.1
215.07031	1.2
223.06007	1.3
223.13347	3.9
227.12950	0.5
241.14241	0.6
242.05800	4.0
242.64862	0.4
243.06583	100.0
244.06911	6.8
267.06601	0.5
269.04333	0.9
270.04831	0.8
271.05304	0.5
284.03253	0.8
285.04050	2.9
285.07446	0.8
297.06192	0.8
329.23569	0.5
385.18698	1.0
387.11075	3.2
388.11081	0.7
401.12634	0.4
403.19675	22.7
404.20084	1.4
405.11765	4.0
429.10507	0.5
445.48593	0.5
445.60938	0.4
447.13132	2.3
456.65860	0.4
459.30460	0.5
519.15186	5.5
519.31812	0.7
520.15466	0.5
537.16107	29.3
538.16541	3.6
557.31256	0.4
578.28693	0.6
579.16547	3.9
579.24487	5.6
579.32745	1.8
580.16638	0.6
580.24780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07423	0.4
70.35349	1.9
71.01257	1.1
81.03342	0.6
83.01244	0.6
93.03399	0.7
107.01234	0.8
109.02837	4.0
111.00752	0.5
119.04948	0.8
121.02770	0.7
123.04391	1.2
125.02312	1.1
131.04926	0.5
132.02034	0.7
133.02837	10.9
134.03653	0.9
135.04437	1.8
137.02310	0.6
144.88142	0.5
149.02351	1.5
149.05989	0.6
150.03114	0.6
151.03864	1.2
159.04353	0.6
161.02400	1.2
161.06026	0.8
163.00354	0.6
163.03920	1.2
165.01828	1.0
173.02350	0.7
173.04428	0.8
175.03908	3.5
177.01860	2.1
177.05495	1.5
179.03400	1.1
187.04037	0.6
189.01851	1.0
189.05467	1.1
190.02718	0.6
191.03427	1.4
191.05374	0.8
201.01907	1.0
203.03406	1.6
203.07065	0.6
205.01363	1.1
205.05016	1.3
211.04004	0.7
213.05533	1.1
215.03517	0.6
217.04997	1.2
219.02631	0.5
221.04475	0.4
227.03407	1.0
233.04460	0.7
237.05574	0.5
239.06944	0.7
240.07924	0.5
241.04929	0.7
245.04454	0.6
245.08186	0.9
254.05737	0.5
255.02927	0.5
255.06544	0.6
257.04526	0.6
265.04980	0.8
267.06516	0.9
269.04379	0.9
270.05249	0.6
271.02356	0.6
281.04453	0.8
283.06070	1.7
284.06790	0.7
285.03925	0.8
289.07147	3.5
295.06229	0.8
297.04059	3.5
298.04810	9.0
299.05450	4.4
309.03946	1.7
310.04749	1.1
311.05557	8.1
312.06335	10.7
313.07089	10.3
314.07645	0.7
323.05292	2.1
325.03650	0.4
325.07208	1.5
327.05118	5.6
327.08658	0.8
330.03781	0.5
338.04175	0.6
339.05038	11.8
340.05380	1.8
341.06583	7.3
342.07114	0.9
344.05298	0.9
351.05060	1.2
353.06662	3.7
357.06290	2.2
367.04388	0.9
369.06110	41.2
370.06375	4.3
371.07718	1.0
381.06152	6.1
382.07199	0.6
383.07712	1.2
393.05997	0.6
395.07434	0.5
398.20233	0.5
399.07172	34.2
400.07645	3.4
411.07162	4.5
413.08456	0.9
423.07227	1.2
425.08551	0.6
429.08200	6.4
430.08765	0.9
435.06931	0.6
441.08035	3.0
443.61664	0.5
453.08209	1.0
459.09290	14.8
460.09586	1.6
471.09253	3.3
489.10324	33.6
490.10718	4.2
501.10001	1.1
519.11371	5.9
520.11267	0.7
561.12238	4.0
579.13501	100.0
580.13770	15.8
580.22937	0.9
580.72980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06311	0.1
58.00462	0.3
58.64602	0.1
59.01248	11.3
60.01595	0.2
61.98705	0.3
65.00195	0.6
67.01763	0.4
68.99693	0.2
69.03327	0.9
69.24346	1.5
69.24748	0.2
71.01252	5.5
72.99180	0.7
73.02819	0.9
75.00756	0.2
80.02549	0.5
81.03326	1.3
83.01266	0.3
85.02822	1.0
87.00768	0.2
89.02312	7.1
91.01767	13.3
92.02102	0.5
93.03362	0.2
95.01273	1.1
96.95943	0.1
97.02837	0.6
99.00747	0.5
101.02322	1.3
106.53689	0.2
107.01272	0.7
107.04936	0.6
108.02045	18.2
109.02841	6.7
111.00729	0.2
113.02335	1.4
117.01759	0.2
119.03386	0.3
119.04893	0.3
121.02814	0.9
123.00763	5.8
123.04424	1.0
124.01560	0.9
125.02321	0.7
131.03404	0.4
133.02876	0.3
134.03593	0.2
135.00769	13.5
136.01216	0.5
137.02335	3.6
143.03372	0.2
145.02859	0.2
147.04434	0.2
149.02353	1.2
149.04433	0.2
150.03148	0.5
151.00259	1.7
151.03888	0.2
152.01050	16.9
153.01839	6.6
160.01534	0.2
161.02391	0.3
161.04428	0.2
163.03896	0.4
166.02582	0.1
167.03387	0.3
169.06590	0.2
175.00188	0.2
175.03850	0.2
176.01070	1.4
177.01875	0.8
179.03273	0.2
183.06587	0.2
190.02560	0.2
190.99782	0.3
191.03409	1.4
191.05247	0.2
193.04950	0.2
195.02901	0.4
197.06000	1.6
199.07579	0.4
205.05113	0.2
207.02959	0.3
209.04454	0.6
209.11748	0.2
213.05499	1.2
215.07127	0.7
219.02948	0.3
225.05516	0.4
241.05045	0.4
242.05840	1.9
243.06580	100.0
244.06917	6.5
279.05087	1.1
285.04010	0.6
285.07303	0.2
285.10086	0.2
297.06021	1.2
339.07230	1.6
340.07373	0.2
387.10855	1.8
388.11603	0.2
405.11591	0.3
411.09174	0.7
429.11203	0.7
447.12888	8.5
448.13266	0.9
471.11670	0.8
519.15002	1.5
519.31543	0.5
537.16229	1.3
538.16571	0.2
578.32434	0.4
579.17035	20.9
580.17303	2.8
580.25385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	22.6
60.01598	0.3
61.98701	0.8
78.95772	24.1
78.98483	0.3
80.96387	2.0
107.04896	0.3
108.99100	0.3
122.98457	0.3
152.98465	0.3
152.99496	2.9
155.30547	0.3
162.74663	0.3
168.04221	3.7
176.91522	0.3
224.06859	8.4
225.00740	0.5
229.90714	0.4
242.07962	2.5
269.04471	0.8
270.04980	0.4
279.23260	100.0
280.23602	9.9
285.03949	0.5
427.34326	0.3
504.30914	59.4
505.24252	0.7
505.31253	7.8
577.77655	0.3
578.16211	0.4
578.27136	1.3
579.27997	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	579.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45448	0.3
59.58134	0.4
59.96116	0.3
63.02282	1.0
65.00206	0.7
70.16681	0.8
70.17082	0.8
70.23444	0.3
85.74853	0.4
98.20501	0.4
107.01283	1.7
108.36655	0.3
109.02841	0.8
112.90544	0.3
121.02861	0.7
121.09992	0.3
133.02831	4.1
149.02345	1.8
151.00273	4.1
175.02539	0.4
175.03888	2.0
198.03134	0.3
199.03899	2.0
201.01923	0.8
213.05518	0.8
215.03426	0.7
217.04974	1.0
241.05083	0.6
243.02979	0.5
252.97758	0.4
255.02908	0.6
256.03726	1.6
283.02435	0.6
284.03256	14.6
285.04019	100.0
286.04355	7.8
293.04486	0.9
294.04877	0.5
295.05206	0.8
327.04999	0.5
415.09253	1.1
574.82269	0.4
579.13519	40.4
580.13794	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	579.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.2
58.70660	0.7
59.01233	3.1
62.90780	0.7
68.41782	0.8
69.41911	3.0
69.42334	4.5
71.01235	3.3
72.21909	0.7
73.02802	0.9
75.00737	1.3
79.01749	2.1
81.03328	1.2
83.01260	1.5
85.02822	2.4
87.00729	1.3
89.02291	1.2
93.03339	4.9
97.02821	1.6
99.00690	1.1
101.02321	1.7
107.01252	1.5
107.04900	1.1
109.02814	3.8
111.00750	2.2
113.02343	1.7
117.03344	7.4
119.04889	3.6
121.02827	2.8
123.00770	1.8
123.04372	2.1
124.01502	1.7
125.02342	1.6
133.02835	5.3
134.03610	1.1
135.00775	1.5
135.04405	3.8
137.02335	4.0
141.33484	0.9
143.04895	1.1
145.02812	1.4
147.04453	1.2
149.02309	5.0
150.03096	1.7
151.00246	5.0
151.03871	2.6
152.00861	1.2
153.01868	1.4
161.02350	4.5
163.00259	2.8
163.03902	4.6
163.45715	0.9
164.01006	2.8
164.04709	1.4
165.01823	5.6
165.05420	2.1
166.02611	1.3
167.03311	2.2
171.89442	1.0
172.54153	0.9
173.04483	2.9
175.03886	3.6
177.01865	6.2
177.05515	2.5
178.02486	0.9
179.03452	5.2
180.00540	2.3
189.01704	2.1
191.03413	4.6
191.05534	2.9
193.01332	1.9
193.05011	1.8
195.02856	1.7
199.03972	1.0
203.03406	2.4
205.01367	3.5
205.04974	2.7
206.02124	2.1
207.02885	8.8
207.04945	2.5
213.05457	1.4
215.03481	1.3
217.04967	1.5
219.02931	5.1
220.03656	3.4
221.04315	1.2
225.05573	1.3
227.03430	1.0
231.03020	1.7
233.00934	1.2
233.04379	1.2
235.02440	2.7
237.03802	1.6
240.04137	1.0
241.05019	3.2
242.05696	1.8
245.04431	1.1
247.02449	2.4
249.03951	6.4
253.05016	6.3
255.06616	2.9
260.52664	1.0
261.03836	2.0
263.01859	1.1
267.06696	2.0
269.04596	4.8
270.05280	1.6
270.43884	0.9
271.06024	1.3
279.05084	3.4
281.04538	11.1
282.05069	2.4
283.06122	4.2
284.03177	2.5
285.03949	7.1
289.07211	0.9
295.06076	2.8
297.03690	6.4
297.06976	1.1
298.04807	34.9
299.05362	8.6
309.03845	2.1
311.05481	5.9
312.06415	5.2
313.03479	21.9
313.07141	6.0
314.04099	2.8
323.05499	2.7
325.03671	1.9
325.07172	2.8
326.04260	12.2
327.05005	21.3
327.07965	1.0
328.05481	1.8
330.03668	5.8
337.03537	1.5
339.05026	11.5
340.05469	1.6
341.06638	5.1
351.04840	2.0
353.06558	4.5
355.07767	1.2
356.05112	1.1
357.06091	3.9
369.06119	35.4
370.06427	4.0
371.07401	2.1
381.06018	5.0
383.07861	2.1
395.07639	1.3
399.07181	28.2
400.07541	2.8
411.07126	3.3
416.07455	5.2
417.08130	1.5
429.08359	7.0
430.08432	1.4
441.08112	2.0
442.08853	1.0
446.08493	9.8
447.09109	3.4
459.09262	35.3
460.09406	4.0
460.32883	1.2
471.09323	2.7
489.10364	45.1
490.10751	4.4
519.11749	4.3
561.12469	3.5
579.13464	100.0
580.13763	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	577.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
57.03316	3.1
59.01250	1.9
63.66112	0.7
69.03333	0.8
71.01243	1.5
71.04895	7.5
76.81203	0.6
81.03307	0.8
83.04906	1.8
91.56570	0.7
95.04893	1.7
97.02826	5.0
97.06458	6.4
99.00751	25.2
100.01032	0.8
109.06474	1.9
110.03606	0.9
123.08043	4.4
125.09602	14.6
128.68936	0.7
135.08052	1.3
136.05222	1.6
142.02605	2.0
145.10136	1.1
149.75874	0.7
153.12764	2.1
163.11186	21.2
164.11484	0.9
179.10587	1.1
181.12250	59.0
182.12599	2.8
197.11769	1.2
199.13316	14.5
200.13573	1.2
207.10182	43.5
208.10506	1.9
225.11258	100.0
226.11600	7.0
243.12331	50.0
244.12671	2.4
249.56358	0.8
269.04544	2.9
277.21704	67.8
278.22043	6.2
281.13852	0.9
299.14981	14.5
300.15213	1.0
317.16028	37.5
318.16306	1.9
449.09891	0.8
577.37390	39.5
578.37726	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	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84570	0.3
59.01246	16.9
71.01244	0.7
72.68472	0.3
78.95779	5.8
78.98441	0.5
79.95607	0.9
80.04393	0.3
80.96387	6.4
82.95937	0.5
85.02794	0.3
87.00750	0.5
94.43520	0.2
94.97955	1.5
97.02847	0.3
106.97903	0.3
131.01982	0.3
134.97443	0.4
135.44823	0.3
136.99023	0.3
148.98996	0.4
152.98419	0.7
152.99484	1.1
164.98541	0.8
168.04237	1.8
219.37392	0.3
224.06873	0.7
225.00725	1.3
229.72733	0.4
242.07898	2.5
261.22049	0.3
279.23267	100.0
280.23630	9.8
299.04303	0.4
504.30939	28.5
505.31314	3.8
578.27173	9.2
579.26831	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	577.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21243	0.7
56.77200	0.6
59.01255	14.6
63.12605	0.6
71.01250	2.6
73.02830	1.0
74.30896	0.6
80.44386	0.6
89.02298	1.4
101.02325	3.1
113.02302	1.7
113.84509	0.8
119.03403	0.9
133.04903	0.7
148.18929	0.7
149.08778	0.6
161.04433	1.0
209.11787	2.0
211.13272	1.6
229.68672	0.9
235.08142	1.9
240.34639	0.7
253.09267	14.1
269.04565	4.4
281.24850	100.0
282.25204	9.0
293.21127	1.1
313.21750	0.7
384.39191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99429	1.6
52.01361	1.5
55.01751	1.7
57.03326	3.4
59.01234	3.1
71.01266	2.8
71.04884	7.7
71.57796	2.2
71.58160	2.2
83.77772	1.4
95.04902	2.1
97.02826	7.4
97.06467	6.8
99.00755	25.8
109.06493	2.8
123.08027	3.7
125.09610	18.2
139.60471	1.6
142.02612	1.6
148.15862	2.0
153.12750	2.5
163.11198	27.5
177.42531	1.6
179.10638	2.8
181.12253	68.8
182.12560	4.7
199.13315	14.1
207.08337	3.2
207.10205	44.9
208.10548	2.2
211.13377	1.7
225.11272	100.0
226.11624	5.1
243.12347	54.5
244.12794	3.1
268.03827	2.6
269.04510	7.5
277.21716	63.6
278.22025	5.2
299.14957	15.9
317.16031	45.0
318.16449	2.3
407.07327	1.8
577.37402	48.9
578.37732	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	577.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03311	1.0
59.01247	16.0
61.98690	1.5
67.01762	0.5
68.99656	0.6
69.03319	2.6
69.03628	0.4
71.01253	9.8
71.58324	0.8
72.99171	1.1
73.02819	1.8
75.00735	2.0
81.03320	0.9
83.01260	1.5
83.04866	1.6
83.44402	0.4
84.02032	1.1
85.02823	6.2
87.00707	2.4
89.02306	6.8
90.05262	0.4
93.03325	1.5
95.01244	2.0
95.04872	0.6
96.95869	1.4
97.02837	1.0
97.06467	9.7
99.00739	1.7
99.04393	0.8
101.02316	7.8
108.02013	1.1
109.02824	1.6
111.00775	0.9
111.04366	0.5
111.08011	0.7
113.02311	6.3
117.01797	0.5
117.03338	1.3
117.05463	0.5
119.03371	1.5
119.04849	0.5
121.02849	0.7
123.04380	0.7
125.02344	2.6
125.09576	1.5
129.01788	1.3
132.02023	0.5
133.02834	0.6
134.03589	1.6
135.00780	1.1
135.04381	0.9
137.02295	1.6
137.09653	1.0
143.03355	0.5
147.04419	0.4
149.02333	2.7
149.04489	0.4
151.00345	0.8
151.11165	0.5
152.01019	0.8
153.01801	1.0
155.10667	1.1
159.04312	0.6
160.01553	1.4
161.02385	1.0
161.04434	3.2
163.03923	1.2
164.04680	1.6
164.64143	0.5
165.05537	0.5
165.12741	2.3
167.03377	2.0
171.10175	6.5
173.04405	1.2
175.00275	2.8
175.02464	0.8
175.03908	1.9
175.11147	0.6
177.01857	0.6
177.12798	0.6
179.05460	0.8
183.13777	3.0
185.11746	1.1
190.02635	6.8
191.03038	0.6
191.05574	2.7
193.04962	1.6
193.12273	12.0
194.12540	0.8
197.05928	0.5
197.15382	0.9
201.05746	0.5
203.03497	0.5
205.03331	0.8
205.05003	7.0
206.05428	0.6
211.13336	3.0
221.11746	1.6
223.06168	2.6
225.14899	18.1
226.15244	1.4
227.12971	0.6
243.15953	7.9
244.16232	0.7
249.06122	1.2
253.09242	27.6
253.14470	1.6
254.09554	1.1
255.02834	0.5
268.03748	3.0
269.01581	0.9
269.04517	17.6
270.04877	1.4
285.03955	1.8
287.05151	0.5
291.19647	1.4
293.04602	0.7
299.05533	0.5
305.21170	0.6
341.23282	100.0
342.23657	10.2
355.24658	0.6
359.18707	0.6
367.12527	0.8
401.18243	0.6
403.17535	0.9
409.11276	2.0
417.92615	0.4
446.01129	0.4
467.19055	1.4
517.30408	1.5
577.15631	3.8
577.26569	4.7
578.16077	1.0
578.25812	1.5
587.11542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79826	0.4
55.01772	0.6
57.03355	1.4
58.00484	0.8
59.01249	12.3
61.98705	0.7
69.03351	1.7
71.01250	8.2
71.59351	0.6
72.99191	0.6
73.02854	1.6
75.00779	1.3
78.72247	0.4
83.01289	1.2
83.04934	1.2
84.02036	4.7
85.02821	4.3
87.00787	1.3
87.10818	0.4
89.02316	6.0
89.02801	0.4
93.03340	3.4
95.01291	1.2
96.95918	1.7
97.02859	1.8
97.06465	6.3
97.06985	0.4
99.00821	1.4
99.04435	1.7
101.01669	0.9
101.02314	7.2
101.02895	0.6
108.02090	0.4
109.02886	0.6
109.06502	0.6
111.00782	0.5
111.08093	0.6
113.02334	5.1
117.01904	0.7
117.03397	1.0
119.01300	2.9
119.03428	1.1
119.04958	0.8
119.08624	0.6
121.02868	2.1
123.04436	0.5
125.02348	0.9
125.09619	0.9
129.01801	1.0
134.03651	1.7
135.04448	1.6
135.08128	0.5
137.02371	1.7
137.09598	0.9
137.95970	0.4
143.03441	0.6
147.00858	1.6
147.04474	0.8
149.02348	12.4
150.03096	0.5
152.01096	0.5
161.02393	1.3
161.04433	2.6
162.03123	0.5
163.03947	1.3
164.04703	12.7
165.01831	0.8
165.05150	0.8
165.12804	1.0
168.78078	0.4
171.10179	15.4
171.11615	0.8
172.10594	0.4
175.00288	16.8
175.03870	0.8
176.00711	0.8
177.01836	0.7
177.05443	0.7
179.05626	0.9
179.07112	2.7
183.13901	0.6
185.11760	0.8
190.02640	43.8
191.02980	2.4
191.05539	1.1
193.05038	1.3
193.12267	9.8
193.13913	0.8
197.11813	1.1
197.15430	0.5
205.04996	39.8
206.05357	2.4
207.02898	0.6
209.11752	0.5
211.13330	2.5
221.11882	1.6
223.06059	19.3
224.06580	0.9
225.14896	13.4
226.15302	0.6
243.15948	5.5
244.50920	0.4
249.06116	0.7
253.09254	27.6
253.14540	0.8
254.09572	1.2
267.07394	0.5
268.03723	1.4
269.04520	19.0
270.04953	1.7
291.19662	1.6
293.04623	1.0
341.23294	100.0
342.23663	10.2
413.08905	0.5
517.29688	1.5
577.15771	2.8
577.26514	44.5
578.16711	0.8
578.26868	7.0
582.18414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.4
59.01231	1.3
63.03606	0.4
63.96099	1.6
69.03326	1.0
70.48795	0.3
70.60043	1.4
71.01246	10.9
71.18503	0.3
73.02805	2.4
78.98460	8.6
79.95597	14.3
80.96384	96.6
81.03339	0.9
85.02818	3.4
87.00749	4.8
87.37724	0.4
91.03888	0.6
93.60937	0.4
94.97956	19.9
96.95877	1.3
97.02824	2.3
99.00745	0.9
99.04398	0.5
101.02304	3.0
106.97960	4.3
113.02387	0.5
118.01740	0.4
122.97461	4.8
125.02301	3.7
127.03889	1.1
134.97467	6.5
136.99020	2.3
146.97534	0.6
148.99036	8.4
152.98526	7.2
164.98535	15.0
167.00114	0.5
200.74974	0.4
206.99596	3.3
225.00684	17.0
226.00926	0.6
269.04559	0.5
277.21707	1.9
278.22162	0.5
299.04437	3.8
331.86014	0.4
366.29480	0.4
425.30219	0.4
492.07614	0.4
577.26813	100.0
578.27148	12.5
578.36273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47035	0.4
55.01754	0.8
57.03321	3.5
58.00456	0.6
59.01250	15.1
60.84725	0.4
61.98694	1.7
67.01763	0.6
67.91125	0.4
68.92938	0.3
68.99654	0.6
69.03325	1.9
69.80641	0.4
71.01250	16.2
71.09734	0.3
72.01609	0.6
72.99186	5.0
73.02792	2.4
75.00743	11.7
83.01260	1.5
83.04888	1.0
84.02013	0.5
85.02821	17.9
86.03189	0.5
87.00753	4.5
88.73209	0.4
89.02311	4.2
93.03329	3.7
95.01265	4.1
95.04901	0.5
96.95889	2.5
97.02837	0.9
97.05924	0.4
97.06474	2.4
99.00760	7.9
101.02316	2.2
103.00247	1.7
107.01305	0.6
107.04893	0.6
108.02041	0.6
109.02834	1.0
111.00762	0.9
111.04362	0.6
113.02332	16.1
114.02614	0.5
114.35314	0.4
115.00243	1.5
117.01814	1.4
117.03347	0.7
119.03448	0.4
121.02824	0.4
123.00771	0.5
123.04416	0.5
123.08112	0.5
125.02309	1.3
125.09606	0.6
129.01794	1.8
129.80508	0.4
130.91457	0.4
133.02774	0.5
134.03613	2.2
135.04437	1.0
137.02347	5.0
137.84456	0.4
139.00261	0.6
145.02882	0.6
147.04427	0.5
149.02336	1.1
149.99471	0.4
150.03108	0.6
151.00197	0.5
151.03918	1.0
152.00987	0.8
153.01747	0.5
153.09061	0.5
155.10706	0.6
157.01292	0.5
160.01540	1.4
161.02315	1.5
161.04471	0.6
163.03880	1.3
164.04663	0.9
165.12772	0.9
167.03461	0.5
167.14299	0.5
168.00511	0.5
169.01369	0.4
171.10172	6.4
175.00247	1.5
175.02379	2.3
175.03944	1.4
176.01065	0.6
177.01801	0.7
177.12782	0.8
179.03387	0.4
183.13809	2.3
185.00949	0.6
185.11746	2.3
190.02591	2.6
191.03441	0.9
191.05524	0.9
193.04947	1.9
193.12267	0.5
197.11790	0.7
199.13127	0.5
205.04990	3.4
205.06900	0.7
209.04404	0.4
209.11754	1.1
211.13333	12.1
212.13675	1.1
221.11772	2.0
221.85733	0.4
223.06108	1.4
227.12744	0.7
229.14388	7.7
231.05061	0.9
239.12849	1.4
249.06097	7.4
267.07132	1.0
268.03809	2.3
269.04535	14.0
269.07285	0.9
270.04922	1.1
271.81967	0.4
284.03232	1.2
285.03961	2.3
286.04340	0.9
289.07159	0.5
291.19586	2.5
293.04337	0.7
299.01935	0.6
299.05490	0.4
309.20575	0.5
327.21744	15.5
328.21872	1.0
353.31342	0.5
401.18222	5.2
402.18314	0.5
408.41086	0.4
413.08820	0.8
517.30481	1.0
559.27124	2.4
577.15552	4.2
577.28595	100.0
578.15167	0.8
578.28943	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	577.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43718	0.4
59.01230	1.2
63.96095	1.5
69.03321	0.4
70.59748	1.6
71.01252	8.3
72.99178	0.7
73.02829	1.9
75.62870	0.5
78.98452	7.7
79.95599	11.6
80.96384	78.4
81.03322	0.8
83.01251	0.5
85.02805	3.5
87.00753	2.9
94.97952	19.5
95.01245	0.5
96.95858	1.2
97.02817	2.0
99.00778	0.7
101.02299	2.5
106.97961	3.6
110.20359	0.5
113.02335	0.7
122.97456	5.8
125.02316	4.5
127.03903	1.3
134.97459	5.9
136.99034	1.7
148.99033	7.1
152.98528	8.0
159.24785	0.4
164.98528	12.5
172.67874	0.4
176.69769	0.4
182.99648	1.4
206.99637	3.1
225.00673	18.9
226.00949	0.7
243.01697	0.7
269.04544	0.6
277.21695	2.7
299.04327	3.7
306.56323	0.5
478.80173	0.5
577.26819	100.0
578.27094	12.7
594.05890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71710	0.4
55.01760	1.0
57.03325	1.4
58.00447	0.4
59.01248	16.2
61.61068	0.4
61.98693	0.8
63.02282	0.4
65.00186	0.4
65.02180	0.4
65.62741	0.3
69.03323	2.6
71.01248	10.7
71.59381	0.6
72.99176	2.0
73.02811	2.0
75.00760	2.1
83.01260	2.0
83.04917	1.3
84.02029	2.8
85.02820	6.1
87.00715	2.1
89.02312	6.8
91.01778	1.0
93.03323	3.6
95.01250	0.9
96.95887	1.8
97.02843	1.2
97.06459	9.8
99.00771	1.7
99.04380	0.9
101.02319	7.9
107.04944	0.7
108.02015	0.6
109.02873	0.7
111.00755	0.6
111.08051	0.8
113.02330	5.9
113.17892	0.4
114.20701	0.4
117.03315	0.9
119.01273	3.9
119.03398	1.3
119.04934	1.5
121.02837	3.7
123.04364	0.6
123.08033	0.4
125.02318	1.4
125.09611	1.8
129.01859	0.6
130.08649	1.0
132.02083	0.6
134.03636	2.7
135.04419	1.8
135.08051	0.5
137.02350	3.1
137.09631	1.1
139.03845	0.4
147.00774	2.3
147.04428	1.5
149.02342	16.3
152.01018	1.1
153.01837	0.7
160.01563	0.8
161.02350	1.5
161.04449	2.7
162.03082	0.6
163.03914	2.5
164.04691	20.4
165.01863	1.3
165.05121	0.9
165.12796	0.7
167.03268	0.4
169.12257	0.5
171.10176	10.3
172.10533	0.4
173.04504	0.7
175.00278	25.7
175.03896	1.1
176.00746	1.2
177.01868	0.7
177.09105	0.4
177.12785	0.5
179.03403	0.5
179.05530	1.3
179.07069	3.1
183.13896	0.9
185.11725	1.0
189.01787	0.5
190.02638	64.1
191.03001	3.1
191.05551	1.3
193.01260	0.4
193.04994	1.4
193.12270	11.8
194.12656	0.8
197.11752	2.7
203.86394	0.4
205.04996	63.0
206.05396	3.4
207.02899	0.7
208.03671	0.5
209.15390	1.0
211.13326	3.1
221.11821	1.1
223.06067	28.7
224.06458	1.0
225.14894	16.8
225.17117	0.9
226.15323	0.6
243.15993	7.5
249.06136	0.9
253.09253	27.5
253.14499	1.3
254.09616	1.2
268.03702	2.2
269.04541	16.0
270.04910	1.5
291.19659	1.8
293.04605	0.8
305.21262	0.6
313.23975	0.8
323.22098	0.5
327.21753	1.1
341.23288	100.0
342.23618	8.6
413.08710	0.5
451.19705	0.5
463.53894	0.5
517.30115	1.5
550.37701	0.5
562.24078	0.5
577.16119	2.5
577.26532	62.5
578.26996	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	577.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.0
57.03311	2.3
57.67946	0.5
57.72394	0.6
59.01249	15.2
60.01562	0.6
61.98695	1.3
62.92576	0.5
63.93707	0.6
64.11497	0.5
69.03304	1.5
69.48542	3.8
71.01250	12.0
72.99163	1.1
73.02818	1.8
75.00751	2.5
83.01252	1.6
85.02824	7.0
87.00746	2.4
89.02313	5.6
89.03844	1.1
93.03324	1.7
95.01266	2.2
95.04882	0.7
96.95874	2.5
97.02801	0.8
99.00765	2.0
101.02322	4.9
105.31413	0.6
108.02050	1.6
109.02802	2.0
113.02322	9.7
117.03333	8.4
119.03392	1.8
119.04892	2.1
121.02854	1.6
123.00752	1.3
123.04378	1.0
123.08023	0.9
124.01600	1.1
125.02343	5.5
132.02055	11.5
133.02827	2.0
134.03629	79.4
135.04366	2.6
137.02335	2.5
139.03836	0.7
143.03415	1.2
145.02829	1.4
147.04440	1.7
148.01305	0.5
148.05188	1.0
149.02335	2.9
149.05984	7.8
149.99443	1.7
150.03070	1.8
151.03934	1.3
151.07527	1.9
152.01004	1.2
153.01868	2.2
160.01563	53.4
161.02081	2.5
161.04425	3.2
163.03903	2.2
163.06047	1.6
163.07512	1.2
164.04643	1.8
165.05501	1.0
167.03394	1.0
168.00520	4.5
175.00319	1.9
175.03918	54.3
176.01056	3.3
176.04526	3.8
177.01802	1.3
178.02637	2.3
179.03291	0.7
179.07031	0.7
179.10733	1.2
183.06587	1.1
188.08395	0.6
189.05392	1.2
190.02609	3.4
191.03435	2.8
191.07043	2.6
191.10661	1.3
192.04095	1.0
193.04984	100.0
194.05315	6.0
203.10635	3.9
205.05038	2.1
206.05704	1.2
206.15356	0.6
207.06573	1.5
209.04488	1.7
217.05020	8.5
221.08089	0.8
221.11740	3.7
223.06070	2.6
225.05547	0.7
235.06076	9.3
237.07431	0.7
247.06352	1.0
249.06044	0.8
255.02867	0.7
265.07025	3.9
267.07343	0.8
268.03659	4.2
269.04514	21.3
270.04849	2.3
270.27646	0.7
271.02530	1.1
283.06149	0.7
284.03278	1.0
292.51514	0.6
293.04630	3.8
295.08231	1.2
300.02747	1.3
311.05603	2.4
315.04984	0.7
327.21780	1.2
337.09290	5.4
341.06979	0.7
355.10321	1.5
365.16351	0.9
373.25949	1.4
413.08899	1.8
431.09726	2.0
517.30231	1.6
535.31152	0.8
559.21991	5.0
560.22192	0.6
577.22632	18.2
577.31274	2.3
578.23761	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	577.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53538	0.4
55.01770	0.7
57.03318	3.1
59.00943	0.9
59.01247	17.8
63.26413	0.3
67.01775	0.6
69.03332	1.1
71.01251	12.6
72.99178	1.2
73.02813	2.6
75.00734	1.8
83.01260	1.3
84.13136	0.4
85.02818	7.8
87.00745	2.2
87.04403	0.5
89.02313	4.0
89.03867	1.4
93.03347	1.2
95.01259	1.8
96.95895	0.7
97.02821	0.9
99.00768	2.7
101.02315	5.9
106.04109	0.5
107.01279	0.6
108.02046	1.0
109.02826	0.9
111.00780	1.0
111.04405	0.9
113.02320	9.0
117.03342	7.2
119.03376	1.1
119.04911	0.8
121.02843	1.0
123.00738	0.4
123.04412	0.5
123.08069	1.1
125.02345	1.2
126.63620	0.4
127.03825	0.4
129.01822	0.8
132.02071	11.2
133.02806	1.3
134.03629	76.2
135.04015	2.6
137.02312	1.8
143.03389	1.1
147.04454	1.6
148.05154	0.7
149.02289	1.1
149.05989	7.7
150.03131	0.9
151.00229	1.0
151.03851	0.5
151.07544	2.2
152.01012	1.9
152.61565	0.4
153.01820	0.6
158.03665	0.4
159.08104	0.4
160.01563	45.3
161.02104	2.1
161.04507	2.8
161.09572	0.6
163.03975	0.7
163.06059	0.6
163.07535	1.1
164.04810	0.5
165.01831	0.6
165.09094	0.8
171.10190	0.9
171.37834	0.4
173.04526	0.8
173.05913	0.4
173.09737	0.3
174.03127	0.6
175.03914	50.1
176.01102	2.4
176.04433	2.7
177.01874	1.3
177.09119	1.0
178.02625	2.6
179.03423	0.4
179.05539	0.5
179.10698	1.2
183.10265	0.5
185.00865	0.6
186.01303	0.4
188.08337	0.8
190.02658	1.1
191.03423	2.5
191.05453	0.7
191.07089	2.5
191.10718	0.7
192.04156	0.6
193.04982	100.0
194.05309	5.0
199.03986	0.5
201.11247	0.9
202.02527	0.5
203.10724	4.7
205.04984	1.0
207.06630	0.9
209.02783	0.5
209.04529	1.0
211.13399	0.4
217.04985	7.7
221.11765	3.9
223.06177	0.7
235.06067	7.5
236.06299	0.5
240.04219	0.5
249.06065	0.9
256.03705	0.5
265.07083	1.4
267.07285	0.6
268.03766	3.4
269.04538	23.5
270.04901	2.5
273.18359	0.4
283.02509	0.5
283.19241	1.3
284.03247	10.8
285.03983	9.2
293.04538	0.9
295.08362	0.4
299.05627	2.2
326.23373	0.5
327.21817	1.8
337.09293	5.0
353.17593	0.6
355.10168	2.0
365.15829	0.6
373.25876	0.7
406.12189	0.4
431.09448	0.5
433.10733	0.4
517.30780	2.2
533.12671	1.2
535.31488	0.6
559.21729	3.9
560.22369	0.8
577.15295	13.2
577.22546	12.2
577.28870	12.9
578.14941	2.1
578.22955	1.9
578.29510	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	577.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89233	0.5
54.66149	0.5
55.01753	0.9
57.03316	2.8
59.01251	14.0
63.02245	0.5
71.01250	11.0
72.99175	1.2
73.02802	2.7
75.00757	1.4
82.24716	0.6
83.01248	1.7
85.02819	5.4
87.00757	1.8
89.02328	4.1
89.03848	1.5
91.01733	0.6
93.03350	1.1
95.01250	1.6
96.95892	1.1
98.19792	1.8
99.00761	1.9
99.04377	0.8
101.02319	4.5
103.93636	0.5
108.02027	1.1
113.02332	8.5
114.02628	0.5
117.03348	7.7
119.03395	1.2
119.04955	0.9
121.02833	1.0
123.08046	0.9
125.02319	0.6
129.01851	0.6
132.02065	11.9
133.02831	1.8
134.03629	89.3
135.04028	2.5
137.02341	1.8
143.03459	0.7
147.04459	2.5
148.05165	0.9
149.02327	1.6
149.05994	8.7
150.03076	1.5
151.00304	1.2
151.03891	0.8
151.07533	2.5
152.01051	1.4
153.01828	1.2
159.04465	0.7
160.01563	51.8
161.02036	2.3
161.04486	2.2
163.03934	0.8
163.07549	1.4
165.09167	0.6
168.07843	1.0
170.81299	0.5
171.10202	1.0
173.04597	0.5
175.03915	53.0
175.55113	0.5
176.01111	2.8
176.04422	3.4
177.01768	0.7
177.09135	0.8
178.02678	2.8
179.03368	0.7
179.10687	1.2
187.07748	0.6
188.08356	1.0
190.02568	0.8
191.03389	2.2
191.05478	1.1
191.07068	2.2
191.89804	0.5
192.04266	0.6
193.04985	100.0
194.05351	4.4
194.57980	0.5
195.06592	0.6
202.02582	0.9
203.10686	4.6
204.10745	0.5
205.04970	1.3
207.06557	1.4
213.05449	0.7
217.04987	8.1
220.03656	0.6
221.11748	3.5
223.06023	0.7
229.70448	0.7
235.06071	7.2
236.06339	0.7
239.03391	0.6
255.02986	1.0
265.07068	1.0
268.03757	2.7
269.04529	16.7
270.04889	1.9
270.10751	0.5
272.38925	0.5
284.03217	8.3
285.03934	7.3
286.04330	1.0
289.05386	0.6
293.04623	0.7
295.08142	0.7
299.05756	2.6
327.21747	0.8
337.09262	5.4
343.47571	0.5
355.10184	1.1
365.16064	1.2
399.06778	0.6
403.59875	0.5
415.15381	0.5
424.20212	0.6
517.29913	1.0
548.73041	0.5
559.21448	3.4
577.15234	10.3
577.22827	12.8
577.29559	3.4
578.15619	1.9
578.23010	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	577.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.9
57.03318	1.2
57.23473	0.5
58.00476	0.9
59.01247	58.8
61.98704	2.8
64.81030	0.5
69.03322	1.5
69.17651	0.5
71.01250	25.2
72.99198	2.8
73.02817	21.8
73.03234	0.9
74.29636	0.5
75.00751	0.8
78.95786	0.8
80.00249	0.5
83.01254	7.6
85.02811	6.5
85.30654	0.6
87.00749	2.1
88.68214	0.6
89.02307	7.6
93.03340	2.6
95.01292	1.3
96.95896	1.1
97.02822	0.9
97.06546	0.6
98.20573	1.1
99.00771	1.5
101.02320	26.6
108.02041	0.7
109.02872	1.0
111.00748	0.8
113.02322	12.5
113.03069	1.1
117.03351	1.7
119.01245	0.8
119.03401	2.6
119.04920	0.9
121.02844	1.2
123.04424	1.1
125.02326	2.3
128.15326	0.7
129.01865	1.2
131.03383	3.5
134.03615	1.4
135.04422	15.8
137.02339	1.7
143.03406	3.0
145.02882	1.6
146.03632	1.1
147.00810	0.7
147.04399	0.7
149.02342	1.7
149.04462	3.3
149.05901	0.8
151.00229	1.1
152.00967	0.9
155.03354	0.6
160.01611	0.7
161.02338	1.2
161.04475	7.2
161.05775	1.2
163.03917	100.0
164.04372	5.1
165.05247	0.6
165.12766	2.4
171.10213	0.6
173.04491	1.6
175.00279	3.1
177.01833	0.7
177.05414	0.6
178.06273	73.7
179.06900	6.3
183.13832	0.8
185.11734	0.7
190.02649	4.7
191.05540	2.0
193.08635	85.0
194.08971	3.5
205.05028	4.9
206.05482	0.6
221.08459	0.6
223.06084	3.4
255.17885	0.6
268.03781	3.2
269.04517	25.4
270.04922	1.9
284.03128	3.1
285.04007	3.3
293.04541	0.8
323.11447	1.5
341.12473	5.4
355.24835	0.9
577.15265	8.3
577.26434	5.5
578.15625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00703	0.9
55.01752	1.5
57.03316	5.6
58.00478	1.1
59.00949	1.2
59.01252	31.1
61.98702	31.7
66.04533	0.9
69.03315	1.9
71.01250	25.0
71.58903	1.2
72.99194	2.0
73.02818	4.7
75.00732	2.4
78.41948	0.9
80.75292	1.0
83.01269	4.8
83.04871	1.2
84.84606	0.9
85.02817	15.0
86.49165	0.8
87.00740	3.5
89.02318	11.1
89.03772	0.9
93.03322	3.7
95.01254	3.2
96.95885	7.4
97.02851	0.9
99.00751	4.1
101.02312	19.6
107.04925	1.1
108.02045	1.8
109.02827	3.7
111.00718	2.0
113.02328	10.4
117.03314	3.7
119.03397	3.0
119.04910	2.9
119.81371	0.8
121.02812	1.8
123.04362	2.3
123.08049	4.6
125.02384	4.2
125.54019	0.9
129.01791	1.2
132.02066	1.9
133.02827	4.0
134.02632	1.9
134.03632	35.3
135.04488	5.9
137.02344	6.1
139.04033	0.8
143.03394	1.2
147.00734	0.9
149.02354	5.0
149.05963	2.1
150.02997	1.3
151.03905	1.7
152.01030	2.9
153.01791	2.4
159.04366	1.7
160.01541	7.4
161.02356	11.8
161.04480	2.6
163.03885	4.0
164.04594	3.1
165.05475	0.9
167.03352	1.4
168.00569	1.2
173.04501	1.0
174.01520	1.0
175.00333	5.8
175.02464	1.3
175.03868	6.8
176.01009	2.2
176.04706	1.1
177.12766	6.2
179.03368	3.5
179.06969	1.0
183.13754	1.2
185.11798	1.2
190.02629	12.5
191.03214	2.7
191.05495	2.7
191.07051	1.6
193.04982	14.4
195.13799	3.2
205.03308	1.7
205.05014	13.7
206.05428	1.4
207.06497	1.1
209.04552	1.5
217.05019	1.1
221.11786	4.4
223.06061	3.5
235.06050	1.0
246.01314	0.8
249.05946	1.4
255.02850	0.9
265.07123	1.0
268.03745	5.2
269.01599	2.0
269.04523	32.0
270.04831	3.4
284.03033	1.2
285.03879	2.2
286.04562	1.3
293.04419	2.4
327.21649	1.7
344.52188	1.1
355.24976	1.1
383.17221	2.3
401.18146	100.0
402.18445	9.5
402.23529	1.6
507.96686	0.9
517.27014	1.1
577.14899	6.0
577.23389	36.2
578.15295	1.9
578.23816	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88280	0.6
57.03320	3.3
59.01247	13.0
61.01651	0.4
61.98701	0.7
66.24798	0.5
69.03328	0.8
69.37380	3.6
71.01252	9.7
71.01645	0.5
72.99181	1.9
73.02812	2.7
75.00755	1.4
82.71950	0.4
83.01273	1.3
83.04910	0.7
85.02817	5.9
87.00750	1.7
89.02328	3.6
89.03823	1.4
93.03316	1.2
95.01250	0.8
96.95895	4.1
97.02828	0.6
99.00739	1.6
100.74851	0.5
101.02309	5.8
101.02917	0.7
107.01345	0.5
107.04925	0.5
108.02027	1.5
109.02837	2.0
111.00764	0.9
113.01588	0.7
113.02325	5.6
117.03344	6.1
119.03355	0.5
119.04920	1.1
121.02838	1.3
122.71978	0.4
123.00751	0.4
123.04425	1.0
124.01508	0.6
125.02311	2.8
131.03360	0.6
132.02057	2.5
133.02840	0.9
134.03621	76.1
135.04344	2.2
137.02319	2.1
145.02882	1.0
147.04420	1.2
149.02342	1.8
149.05969	6.9
149.99507	0.7
150.03137	0.9
150.06337	0.7
151.00230	1.1
151.03937	0.5
152.01080	1.6
153.01859	0.9
160.01552	10.2
161.02364	2.1
161.04399	2.1
163.03885	1.1
163.11292	0.4
164.04602	1.0
165.05437	1.6
167.03358	2.3
168.00540	1.3
171.10310	0.6
173.04466	0.9
175.00354	1.1
175.03906	13.5
175.11163	2.2
176.01080	1.3
176.04591	1.2
177.01823	0.8
177.12828	2.4
178.02579	1.6
181.05034	0.5
185.07126	12.8
186.07574	0.7
190.02641	1.0
191.03394	1.3
191.05431	1.0
191.07069	0.8
193.04974	100.0
194.05307	4.6
205.04979	1.3
217.04935	2.2
223.05997	1.5
225.07553	1.1
227.12769	0.7
235.05997	1.4
242.09261	4.9
242.57274	0.5
249.06142	0.8
253.09233	0.5
259.38110	0.5
265.07156	1.4
268.03751	3.2
269.04520	17.4
269.10413	1.0
270.04990	2.3
283.06061	0.6
285.03946	0.8
293.04572	0.8
311.05539	0.5
327.21725	1.2
349.97113	0.5
351.08755	0.9
355.24942	0.6
371.15210	2.9
373.25803	1.4
383.13400	1.2
401.18219	19.2
402.18521	1.1
413.08640	0.8
415.14105	7.4
416.14264	0.7
429.58072	0.4
467.04446	0.5
517.29999	1.2
533.30499	0.5
535.31329	0.7
577.15961	4.1
577.23676	1.2
577.30573	2.8
578.15564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41397	0.1
54.56242	0.1
62.34565	0.1
63.02259	1.5
65.00169	0.8
69.59521	0.7
73.02816	0.1
81.03326	0.1
83.01244	0.2
89.00232	0.1
93.03336	0.4
95.37502	0.1
105.03350	0.2
107.01268	1.5
117.03341	3.4
117.16287	0.1
121.02847	0.2
135.04434	0.2
148.01520	0.1
149.02335	1.1
151.00259	0.9
157.06477	0.2
159.04410	1.2
161.02338	0.9
169.06476	0.7
171.04395	0.3
181.06503	0.5
182.03711	0.2
183.04433	0.7
196.05194	0.4
197.05960	0.9
199.03940	0.3
201.05536	0.6
211.03938	0.2
211.51826	0.1
224.04681	0.4
225.05470	1.1
227.03458	0.7
239.03476	0.1
240.04178	0.3
241.05084	0.1
267.03052	0.2
268.01471	0.1
268.03738	3.9
269.04526	100.0
270.04874	7.4
311.05576	0.2
491.97879	0.1
576.81195	0.1
577.15564	1.6
578.16010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48531	0.2
59.01232	0.3
59.41816	0.2
63.02262	2.0
65.00167	0.9
69.28423	0.6
69.28841	1.2
71.01259	0.3
83.01270	0.5
93.03337	0.3
93.90473	0.2
94.18602	0.2
107.01262	2.1
113.04118	0.2
116.29794	0.2
117.03343	3.1
121.02824	0.3
147.00726	0.2
149.02322	0.9
149.99481	0.2
151.00261	1.4
159.04453	1.0
161.02336	0.8
169.06467	0.4
171.04500	0.4
181.06450	0.6
182.03676	0.2
183.04437	0.8
184.05069	0.2
195.04446	0.3
196.05161	0.6
197.05984	0.5
200.04701	0.4
201.05492	0.8
211.04100	0.9
212.04715	0.2
224.04649	0.3
225.05583	1.1
227.03329	0.6
239.03499	1.6
240.04213	1.7
267.02887	0.7
268.03748	24.4
269.04523	100.0
270.04880	7.7
293.04456	0.3
311.05527	0.5
360.06213	0.2
413.08740	0.9
431.09714	0.4
464.36795	0.2
577.15570	47.4
578.15875	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	577.1563
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
50.40751	0.6
57.03312	2.5
59.01253	16.9
63.02251	2.6
65.00187	1.5
69.03316	3.0
71.01249	11.3
71.58408	1.1
72.99176	2.3
73.02789	2.0
75.00745	3.5
83.01231	2.2
85.02340	0.9
85.02820	10.9
87.00751	1.7
89.02315	6.2
93.03335	1.7
95.01249	1.8
96.95866	1.4
97.02835	1.4
99.00749	4.2
99.04408	0.9
101.02311	4.3
107.01248	2.6
108.02047	5.6
109.02847	3.7
111.00758	1.7
111.04399	0.8
113.02326	7.6
117.03339	3.4
119.03332	1.1
119.04938	1.2
121.02809	2.0
123.00723	1.0
123.04388	0.9
125.02293	3.0
129.01820	0.9
132.02051	2.8
133.02850	4.3
134.03629	13.7
135.04388	2.8
137.02298	2.7
145.02805	1.1
148.01532	1.4
149.02332	2.8
149.05969	1.0
150.03070	2.7
151.00293	5.2
152.01070	9.2
153.01825	3.8
160.01593	8.8
161.02258	2.8
161.04425	1.5
163.03909	1.9
164.04587	1.0
165.01874	0.7
165.05417	1.1
167.03363	1.1
168.00533	1.0
169.01291	1.1
171.10150	1.0
173.04509	1.1
175.00296	1.4
175.02441	0.8
175.03896	12.5
176.01080	7.4
176.04381	0.8
177.01839	0.7
177.05557	0.7
179.03392	1.5
183.04405	0.7
184.86473	0.7
187.04016	1.0
188.04707	0.7
190.02614	2.3
191.01848	1.1
191.03383	5.6
191.05394	1.6
193.03317	1.1
193.04977	14.0
194.05280	0.8
199.03906	1.3
201.01833	1.1
201.11180	1.4
205.04958	2.7
209.02896	2.3
209.04601	0.8
217.04936	1.1
223.04308	0.9
223.06268	0.9
227.03470	2.1
233.04549	0.8
235.06104	1.1
239.03505	1.1
241.05103	0.9
249.06033	1.4
255.02863	5.1
256.03772	4.2
265.17987	1.9
267.07297	1.2
268.03769	6.4
269.04550	37.6
269.17664	0.9
270.04843	3.5
283.02460	1.6
283.19196	2.6
284.03250	83.7
285.04001	68.6
285.06619	0.9
286.04391	5.2
293.04465	1.8
299.05566	11.1
309.03818	0.7
327.05008	1.2
327.21866	3.1
331.06421	1.0
413.08710	1.5
413.53864	0.7
431.09537	3.4
481.28464	0.8
517.29816	2.5
533.13068	6.8
577.15491	100.0
577.29370	20.6
578.15710	14.0
578.23181	0.7
578.29620	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	577.1346
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
57.03313	12.4
61.68014	1.7
63.31817	1.3
71.56850	1.3
74.04966	1.4
81.03316	2.1
83.01254	4.1
93.03336	1.5
95.04906	1.5
97.02832	4.3
107.04893	1.5
108.84746	1.3
109.02822	18.7
121.02825	3.4
123.04430	13.0
125.02325	100.0
126.02684	2.9
133.02855	4.2
135.04379	1.4
137.02335	21.0
139.03893	3.2
144.41364	1.4
149.02342	5.9
151.03896	12.6
161.02335	26.9
161.05946	4.5
162.03091	3.9
163.00304	2.5
163.03906	4.1
164.01064	4.4
165.01791	3.8
175.03934	8.5
175.07582	2.0
177.01878	7.1
178.02361	1.6
179.03410	5.9
185.05980	1.6
187.03879	7.5
188.04652	2.7
189.05370	1.7
191.05388	2.0
196.64996	1.5
201.05476	2.1
202.06128	1.5
202.68161	1.8
203.07065	10.4
205.01393	2.8
205.05000	9.7
211.03894	1.6
213.05457	1.6
215.03488	1.6
221.08144	3.0
227.03470	2.7
229.05067	2.0
243.02901	2.9
243.06505	1.4
245.04495	5.5
245.08144	10.7
255.02937	6.3
256.03674	3.3
257.04523	2.0
269.04538	3.0
273.04071	6.2
281.04602	2.1
283.02310	2.4
285.04001	2.6
287.05634	9.0
289.07166	70.0
290.07501	5.5
299.05597	4.2
339.08722	4.0
381.09604	3.3
407.07648	59.1
408.07944	6.4
425.08786	19.4
426.09171	2.0
451.10327	12.0
452.10571	2.3
475.29169	1.7
549.97150	1.7
577.13678	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1557
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
50.82111	0.5
57.68869	0.5
58.00476	0.8
59.01247	19.4
63.93220	0.5
70.34351	1.4
71.01263	3.2
72.99212	0.7
73.02831	1.0
79.44201	0.5
85.02818	2.4
85.04239	0.7
89.02302	1.6
98.19797	0.7
101.02300	1.5
103.03900	1.5
117.03340	7.4
119.03419	0.5
131.01280	1.2
161.02344	1.2
163.03854	0.7
166.76694	0.5
173.02373	3.9
175.00287	7.8
185.00862	0.5
225.05716	0.6
238.59901	0.5
249.05612	0.8
265.05048	0.6
269.04608	3.2
281.04468	2.9
282.05276	2.0
283.06049	5.8
284.06641	0.8
293.04538	100.0
294.04913	8.4
295.06122	2.1
311.05569	10.9
312.05902	0.9
314.04306	2.1
323.05582	4.5
335.05588	1.5
341.06598	3.8
353.06625	0.9
413.08734	41.7
414.08893	5.7
431.09784	0.7
457.11539	2.7
458.11987	0.7
473.34442	0.6
577.15540	35.3
578.15826	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	577.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	18.4
65.03828	1.4
71.45023	1.3
81.03311	3.3
83.01243	5.6
85.02805	1.6
93.03319	3.2
95.01242	1.3
95.04896	3.5
97.02818	5.3
107.04916	2.7
108.02065	0.9
109.02834	22.7
117.03334	1.2
121.02812	3.5
122.03636	1.4
123.00735	1.0
123.04411	17.4
125.02328	100.0
126.02641	2.6
131.04947	0.9
133.02853	5.9
135.04387	2.7
137.02342	22.8
139.03903	3.6
143.04866	0.9
145.02832	2.5
146.03644	1.5
147.04370	1.7
149.02330	5.7
150.03090	2.0
151.03912	14.0
159.04408	4.3
160.05107	1.6
161.01062	1.7
161.02350	26.3
161.05936	4.7
162.02991	3.1
163.00246	2.7
163.03859	4.1
164.01057	4.8
165.01865	4.7
167.03424	2.3
173.05981	1.2
174.03177	1.6
175.03926	11.9
175.07477	2.0
177.01852	5.5
177.05463	1.2
179.03386	3.7
185.05995	1.5
187.03926	8.1
188.04645	4.0
191.05504	3.7
199.03946	1.0
201.05569	1.7
202.06245	1.6
203.03378	1.5
203.07076	9.5
205.01341	2.0
205.04955	7.3
211.03981	1.4
213.05533	1.8
214.02634	1.0
215.03362	2.1
217.04994	1.9
221.08144	1.6
225.05373	1.2
227.03392	2.4
227.07033	2.1
228.04037	1.4
229.04990	3.6
230.05745	1.2
231.06592	0.9
243.02922	2.8
245.04448	5.7
245.08102	9.1
255.02942	9.8
256.03616	4.8
257.04340	1.9
269.04507	3.8
271.05920	1.2
273.03983	3.6
281.04407	3.1
283.02420	2.0
285.04138	1.5
287.05621	7.6
288.02841	1.2
289.07159	59.0
290.07422	3.8
296.47021	1.2
299.05582	5.9
329.06329	1.5
339.08627	2.3
381.09460	1.3
407.07690	56.8
408.07913	6.7
425.08749	21.1
444.95801	1.0
451.10361	11.1
577.13513	4.1
591.51404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34140	1.0
56.43304	1.1
56.95936	0.9
57.03321	17.6
61.26805	1.1
61.42739	0.9
65.03805	0.9
70.34818	1.6
80.95815	1.0
81.03325	3.8
83.01245	5.9
93.03353	1.7
95.01243	1.2
95.04904	3.0
97.02838	5.7
105.03337	1.5
107.04887	2.2
108.02053	1.2
109.02830	21.6
121.02824	4.1
122.03616	2.1
123.04382	18.0
125.02326	100.0
126.02652	2.5
133.02827	4.6
135.04405	2.6
137.01385	1.6
137.02341	20.7
139.03844	2.0
145.02881	1.6
146.03653	1.2
149.02316	4.5
150.03099	1.1
151.03908	11.0
159.04404	3.6
161.02342	29.9
161.05965	3.8
162.03061	3.1
163.00206	2.5
163.03850	2.6
164.01062	6.1
165.01817	4.8
167.03271	1.3
173.05927	1.3
174.03015	1.6
175.03922	9.2
175.07529	1.3
177.01820	6.3
177.05324	1.4
178.02328	1.6
179.03355	3.4
187.03902	4.9
188.04637	3.8
189.05498	1.4
201.05498	1.7
202.06259	2.0
203.03352	1.7
203.07146	7.1
205.01344	3.1
205.05046	5.9
211.03978	1.5
212.04683	1.4
213.05457	1.9
215.03450	2.5
217.04779	1.4
221.08052	1.4
227.03444	2.1
227.06987	1.7
228.04222	2.6
229.04887	1.7
243.02953	3.0
245.04477	3.8
245.08128	12.1
255.02881	8.3
256.03729	3.6
257.04385	1.7
269.04510	2.3
273.03961	3.7
281.04471	3.2
283.02493	1.1
285.03986	3.4
287.05566	6.9
289.07159	67.7
290.07446	3.8
299.05481	5.5
331.08368	1.6
339.08594	3.4
346.70273	1.1
347.20477	1.2
381.09845	2.7
407.07703	56.4
408.08017	9.1
425.08768	21.2
426.09161	2.4
449.08301	1.3
451.10324	13.6
452.10455	1.3
468.83295	1.2
507.62286	1.1
577.13489	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	577.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	11.4
57.27035	0.9
62.22446	0.9
69.18504	1.1
69.54253	2.8
69.54668	4.7
74.06326	0.9
81.03302	1.6
81.50745	0.8
83.01236	5.1
86.10026	0.9
93.03316	2.2
95.04896	1.7
97.02818	4.1
98.20444	2.1
107.04874	1.6
109.02828	16.4
121.02843	2.5
123.04418	12.1
125.02331	100.0
126.02670	2.4
133.02805	3.4
134.00069	0.9
135.04416	1.4
137.02338	17.3
139.03914	2.6
145.02753	1.0
146.03696	1.0
149.02327	4.9
150.03157	1.4
151.03900	12.1
159.04398	3.4
160.05121	1.0
161.02335	26.3
161.05969	3.5
162.03001	1.4
163.00174	1.2
163.03915	3.0
164.01013	4.0
165.01817	4.9
167.03345	1.9
175.03937	10.1
175.07536	1.2
177.01849	5.5
179.03371	4.3
187.03928	6.5
188.04645	2.9
191.05467	0.9
193.04935	1.2
199.03882	1.1
201.05331	1.2
203.03438	1.3
203.07065	9.0
205.01286	2.3
205.04947	6.6
211.03900	1.8
213.05603	1.9
214.02614	1.4
215.03206	1.2
217.04987	1.8
227.07014	2.0
228.04259	1.5
229.04970	2.8
243.02872	2.5
243.06610	1.6
245.04535	6.1
245.08131	11.3
247.06085	1.3
255.02945	8.6
256.03745	6.7
257.04352	1.6
269.04520	1.5
273.04016	5.1
281.04517	3.1
283.02496	1.7
285.03986	3.0
287.05588	8.6
288.05936	1.5
289.07172	64.9
290.07553	4.7
297.04144	1.3
299.05521	7.4
300.05853	1.2
329.06714	2.0
339.08673	3.6
381.09702	2.7
407.07681	67.6
408.08026	7.9
425.08759	24.0
426.08969	2.7
451.10388	11.3
452.10666	1.6
577.13220	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	577.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	13.8
59.01230	1.4
65.00189	1.1
69.03322	1.7
71.01215	1.2
71.11817	1.6
71.12155	2.4
81.03332	2.7
81.43861	1.2
83.01258	5.5
85.02827	3.6
93.03343	3.1
95.01310	1.4
95.04903	1.9
96.95877	1.9
97.02825	4.7
103.53431	1.0
107.04910	2.1
108.02025	2.1
109.02832	18.5
110.44695	1.1
115.79651	1.2
121.02837	3.9
122.03632	2.3
123.04388	15.2
125.02329	100.0
126.02656	2.6
131.04832	1.4
133.02846	4.8
135.04393	4.4
137.02336	20.9
139.03862	1.8
145.02791	1.1
146.03609	1.6
147.04451	1.6
149.02316	7.4
150.03102	1.6
151.03906	13.6
158.03549	1.0
159.04395	4.4
161.02341	27.6
161.05988	3.4
162.02953	2.4
163.00275	1.7
163.03914	5.0
164.01019	3.9
165.01830	5.7
167.03400	8.5
173.04459	2.4
173.05914	1.1
175.03906	10.6
175.07471	1.0
177.01811	6.1
179.03400	5.0
185.06007	1.4
187.03914	7.3
188.04672	2.8
191.05547	11.4
201.05531	1.2
202.06151	1.3
203.03450	1.9
203.07040	9.2
205.01305	2.7
205.04999	6.4
213.05495	1.8
215.03479	1.6
221.08063	2.5
227.03424	2.2
227.07118	2.1
229.04976	3.2
231.02762	1.8
243.02864	2.1
245.04529	5.5
245.08163	12.8
255.02995	8.3
256.03702	3.8
257.04434	2.0
268.03735	1.7
269.04578	5.3
273.04068	5.5
281.04550	3.0
283.02411	1.3
284.03528	1.0
285.03949	2.0
287.05548	7.4
289.07150	65.2
290.07483	5.3
293.04575	2.3
297.96942	1.3
299.05551	4.9
328.05893	1.2
329.06488	1.2
339.08667	3.9
371.09940	2.0
381.09793	3.2
389.06204	1.2
407.07663	52.9
408.07983	5.8
425.08789	18.0
426.09009	2.2
451.10339	12.1
452.10818	1.5
488.63409	1.2
577.14001	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	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89608	0.2
53.68861	0.2
59.01252	20.4
61.98695	0.3
64.40891	0.2
71.01254	0.6
78.95777	7.2
98.33812	0.2
100.15887	0.2
103.67511	0.2
113.96992	0.2
117.38015	0.2
127.07471	0.3
133.32542	0.2
152.99437	1.2
168.04190	1.8
205.19594	0.2
214.58102	0.2
224.06906	1.3
229.69182	0.2
233.22635	0.4
242.07956	3.1
259.20523	0.6
268.03656	0.3
269.04581	2.4
275.20065	0.4
277.21710	100.0
278.22049	8.9
293.04578	0.3
495.97894	0.2
502.29410	28.9
503.29721	3.6
519.86279	0.2
577.15845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1205
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
50.12167	0.7
52.64835	0.8
55.01751	1.0
57.03334	4.8
57.24072	0.8
58.00470	1.0
59.01253	35.9
60.01574	0.8
61.98706	2.1
63.02274	1.2
65.00211	1.4
68.99689	1.1
69.03323	5.9
71.01252	18.0
71.04892	1.1
71.59290	1.1
72.99176	3.5
73.02826	4.9
75.00754	5.9
77.29866	0.7
81.03340	1.8
83.01270	4.6
83.04893	1.2
84.04433	1.6
85.02821	17.5
87.00763	3.3
87.04385	10.1
88.17830	0.8
88.98651	1.0
89.02325	16.0
89.02866	0.6
91.01789	0.9
91.87202	0.9
93.03344	4.8
95.01273	4.5
96.95892	5.0
97.02847	2.2
99.00764	5.5
99.04401	1.4
101.02329	8.4
103.00227	1.1
104.03432	0.8
107.01263	4.5
107.04909	1.9
108.02055	59.7
109.02857	18.7
111.00751	2.0
111.04417	1.0
113.02328	12.3
115.00220	0.9
116.92740	0.9
117.03357	7.2
119.03438	4.1
119.04920	3.1
121.02839	4.6
122.31884	0.9
123.00781	2.6
123.04424	1.9
124.01568	1.0
125.02342	8.4
125.09589	0.8
128.03430	1.1
129.01833	2.4
131.05006	0.8
132.02078	10.1
133.02881	5.8
133.05035	1.4
134.03644	29.1
135.00764	2.6
135.02879	1.9
135.04449	7.6
137.02368	4.5
138.02892	0.7
139.00266	0.8
139.03940	0.9
143.03465	1.0
145.02867	2.2
147.00728	1.3
147.04451	1.8
148.01538	1.8
149.02359	6.6
149.04356	1.0
149.06017	2.4
149.99506	1.2
150.03172	4.5
151.00269	6.5
151.03886	2.4
152.01064	88.7
153.01860	27.5
153.09094	0.9
154.49237	0.8
155.03384	1.1
159.04364	1.8
160.01578	42.1
161.02357	18.9
161.04517	2.6
161.05818	0.9
162.02783	1.3
163.03922	3.9
164.01157	1.1
164.04683	3.0
165.01788	1.4
165.05475	1.9
167.03413	1.9
168.00525	3.0
169.01309	0.9
171.10184	1.5
173.04469	3.3
173.05869	1.0
175.00310	3.6
175.02498	1.6
175.03918	36.8
176.01096	9.1
176.04478	1.7
177.01868	2.0
177.05438	1.1
179.03415	6.0
179.05489	1.3
179.06964	1.3
181.05032	1.0
183.10223	2.5
184.10558	1.1
185.00871	1.9
190.02641	7.6
191.01875	1.7
191.03426	10.4
191.05511	4.4
192.04062	1.2
193.05014	16.8
194.02164	1.3
194.05669	1.2
195.06445	0.9
199.03943	1.0
201.11241	1.8
203.03447	1.1
205.03471	1.2
205.05075	8.4
207.06601	1.2
209.01233	0.8
209.02936	2.2
209.04596	3.8
209.11885	1.1
211.03937	1.4
217.05048	1.3
218.02292	1.2
223.06055	2.8
225.05557	1.4
225.14957	1.1
227.03444	1.7
227.12868	1.1
233.04524	8.5
235.06105	1.3
239.03459	1.1
247.06230	0.8
249.06242	2.4
251.05577	2.0
255.02956	1.6
256.03763	1.3
265.18060	1.1
267.07056	2.3
268.03741	18.7
269.04544	100.0
269.17566	15.0
270.04852	9.1
271.02539	0.9
271.05264	1.5
283.02423	0.9
283.19061	4.2
284.03247	11.0
285.04004	13.5
286.04248	1.3
289.07300	1.0
291.19513	0.9
293.04501	4.2
299.65231	1.0
321.78036	1.0
327.21820	3.2
337.09296	1.7
339.07172	7.8
357.08316	3.1
365.08734	4.7
367.10428	1.7
373.12891	1.0
373.25909	1.2
379.10318	1.1
401.18466	1.0
413.08810	2.8
415.14236	1.9
491.11887	2.3
504.82974	0.8
517.30457	5.8
532.02728	1.0
533.13031	89.5
534.13300	10.9
535.31348	1.9
553.06104	0.9
577.15594	43.6
577.28656	18.0
578.15790	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	575.343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	13.0
60.22717	0.6
71.01239	2.9
71.57799	0.5
71.58198	0.6
73.02818	0.8
89.02320	2.6
94.53621	0.5
99.00731	0.6
101.02320	2.7
113.02293	0.8
116.86546	0.6
119.03382	0.6
161.04439	1.2
209.11708	1.7
215.82524	0.5
220.31204	0.6
235.08220	1.4
253.09277	12.3
259.71198	0.6
272.72528	0.6
279.23273	100.0
280.23624	9.1
291.19708	2.0
293.21155	0.6
319.16846	0.6
557.33636	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08199	0.4
57.03362	0.4
59.01250	16.5
64.39382	0.4
71.01254	2.8
71.08202	0.3
73.02822	0.8
78.95765	0.6
82.61060	0.4
83.04253	0.4
85.02792	0.6
88.95841	0.4
89.02354	2.4
98.19655	0.8
101.02319	3.1
113.02328	1.5
123.94348	0.4
133.04961	0.5
161.04459	1.4
180.37003	0.4
224.87421	0.4
235.08195	1.2
253.09270	12.6
254.09526	0.7
261.22217	0.6
279.23291	100.0
280.23630	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	576.302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21396	0.2
59.01245	3.0
61.98700	100.0
62.99122	0.2
71.01270	1.1
78.98468	0.5
79.95609	0.7
80.96392	5.8
85.02830	0.5
89.02322	0.5
91.98935	0.3
94.97975	0.7
97.02886	0.2
98.19838	0.6
100.76789	0.3
101.02349	0.3
106.23621	0.3
112.12117	0.2
113.02338	0.4
115.18273	0.2
122.97517	0.3
125.02345	0.4
134.97461	0.5
137.24989	0.3
148.99088	0.5
152.98589	0.3
161.04488	0.2
164.98563	0.9
225.00734	1.1
253.09367	0.8
254.09631	0.7
255.09843	0.9
256.09946	0.4
269.04504	0.4
277.21692	4.4
278.22052	6.5
279.22305	4.2
279.25089	0.3
280.22626	2.6
299.04703	0.4
433.59567	0.3
569.36194	0.3
577.26843	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	576.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73246	0.2
59.00064	0.2
59.01242	1.6
61.98698	100.0
67.45252	0.2
71.06022	0.3
71.06358	0.6
75.77633	0.3
78.95769	0.7
80.96384	0.6
89.93301	0.2
95.76215	0.2
105.17926	0.3
132.77557	0.3
209.11855	0.4
253.09344	0.5
255.09833	0.6
256.10178	0.5
269.04587	1.2
277.21732	3.0
278.22046	4.6
279.22345	3.5
280.22653	1.5
326.35156	0.3
441.20837	0.3
577.16766	0.5
577.27106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00879	0.4
51.31669	0.4
55.01767	0.6
57.03315	1.9
57.62959	0.5
59.01248	25.2
61.98692	0.8
66.72803	0.5
69.03329	2.2
71.01248	9.2
71.04890	0.6
72.99171	1.5
73.02817	3.2
74.09981	0.4
75.00745	2.7
78.95770	1.7
81.03340	0.6
83.01256	1.6
83.04898	1.3
85.02811	5.8
87.00745	5.3
87.04366	0.5
89.02328	3.8
92.80556	0.5
93.03329	1.9
95.01295	1.2
96.95882	2.0
97.02851	1.5
97.06464	2.3
99.00762	2.1
101.02319	5.6
103.03912	1.0
107.04910	5.7
108.02052	1.1
109.02828	1.8
111.00769	0.9
113.02335	4.2
115.00260	0.5
117.01830	0.6
117.03332	1.2
117.05386	0.5
119.04909	100.0
120.05137	2.5
121.02871	1.8
123.04370	0.8
125.02333	3.4
132.02066	1.2
133.02834	1.0
134.03632	6.4
135.00781	0.7
135.04387	2.7
137.02344	2.0
141.04100	0.5
143.03413	0.9
145.02849	1.4
147.00754	1.0
149.02364	1.9
150.03120	0.8
151.03856	0.8
152.01056	1.4
152.04718	0.7
152.99483	0.7
153.01805	1.0
155.98505	1.8
157.06506	0.9
159.07950	0.6
160.01614	3.5
160.03923	5.4
160.08844	0.9
161.02306	1.1
161.04457	0.6
161.09598	9.5
161.13255	4.4
163.03909	84.1
163.06090	2.1
163.11113	1.0
164.04245	2.9
165.05518	0.6
166.02766	0.7
167.03412	0.6
171.10120	1.1
173.04439	0.8
175.03880	5.0
175.11226	1.1
177.01897	1.3
182.24042	0.5
183.13858	0.7
185.11810	0.7
187.11201	14.2
188.11473	0.7
189.09111	7.2
190.02676	1.9
191.03435	3.6
191.05397	1.2
193.04982	5.3
197.04457	0.8
197.11760	0.7
203.10732	0.8
205.04994	2.3
205.07016	0.8
205.12263	5.6
206.99773	16.0
207.10052	1.1
208.00085	0.9
209.11777	1.6
211.13356	1.1
217.05083	1.0
219.10196	1.1
223.06065	1.6
223.13329	2.1
227.12921	0.7
231.10344	0.9
235.06117	0.7
249.07663	11.5
249.11270	8.2
267.12305	4.0
285.04041	1.4
307.08292	2.1
315.04788	1.0
325.09293	8.7
325.19891	0.6
371.11298	5.7
399.16498	0.9
411.16522	1.1
473.42996	0.6
515.32233	1.8
575.20300	16.9
575.29254	2.7
576.21136	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25412	0.3
55.18881	0.3
57.03331	0.5
59.01250	10.2
59.87654	0.3
67.01753	0.5
69.03332	0.7
71.01244	2.5
71.59752	0.3
72.99180	0.5
73.02814	0.7
75.00732	0.6
77.03852	0.3
81.03353	0.4
83.01228	0.3
83.04889	0.7
85.02830	1.2
87.00768	0.7
89.02314	1.9
93.03335	3.9
96.95884	4.2
97.02830	0.7
99.00727	0.4
101.02325	1.3
105.98981	0.3
108.02030	0.4
109.02832	0.6
111.00742	0.4
111.04375	2.2
113.02331	1.2
119.03381	0.6
119.04884	0.6
121.02839	100.0
122.03191	3.8
125.02375	0.7
132.02148	0.4
133.02782	0.3
133.04921	0.5
134.03619	4.6
135.04387	0.9
137.02333	2.7
143.03389	0.5
147.04358	0.5
149.02335	4.5
149.06000	0.4
152.01067	0.5
155.03380	5.0
160.01579	2.5
163.03918	1.2
163.06035	1.3
164.04724	3.6
165.05383	0.4
167.03416	0.3
173.04465	10.2
174.04716	0.4
175.00267	0.8
175.03914	2.3
178.02588	0.5
179.03346	0.4
179.05598	0.6
179.07083	0.5
185.00793	0.6
190.02632	1.8
191.03464	0.3
191.05450	0.3
193.04979	3.1
195.59161	0.3
205.05011	1.8
205.06964	0.5
223.06039	4.3
267.07193	0.3
269.04605	0.4
285.03937	0.3
349.09283	4.9
350.09769	0.4
351.21658	1.5
367.10156	1.4
379.10306	6.0
380.10696	0.7
391.16040	0.7
573.15167	1.5
574.15808	0.4
583.93292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.4
57.03331	0.5
59.01255	3.3
61.98692	1.2
65.00182	0.8
67.22205	0.4
68.99688	14.6
69.03333	0.5
69.87666	0.3
69.95933	1.5
71.01248	3.0
73.02820	2.3
75.00713	0.3
78.95792	0.4
79.07053	0.4
83.01276	0.9
83.04880	0.4
85.02825	1.8
85.49281	0.3
89.02333	0.5
91.01768	2.7
93.03325	1.5
99.00758	35.4
100.01030	0.4
101.02331	1.8
107.04897	0.9
113.02336	1.0
119.01271	8.9
121.02833	3.5
125.02363	0.6
132.02058	0.5
134.03621	2.0
135.04417	2.9
143.07088	0.4
147.00792	5.3
147.04404	1.4
149.02347	20.0
150.02696	0.6
151.91032	0.4
152.01045	0.6
161.02298	0.8
161.04437	0.7
162.03079	1.1
163.03960	3.3
164.04706	20.3
164.06125	1.0
165.01811	3.1
165.05145	0.9
169.12286	1.5
175.00291	43.0
176.00694	2.0
177.01884	0.5
179.07079	3.6
182.27940	0.5
189.01830	1.0
189.76024	0.4
190.02643	100.0
191.02991	5.6
193.01408	0.5
205.05005	84.0
206.05327	4.1
207.02934	1.6
208.03752	1.3
209.04420	1.1
223.06073	43.6
224.06421	1.4
233.04558	0.7
237.07753	0.7
278.32138	0.5
449.20212	1.6
457.14737	0.8
460.13687	0.8
475.16098	62.3
476.16440	9.0
521.31427	0.4
543.15088	3.1
544.15338	0.5
575.17737	13.6
575.26471	0.5
576.17926	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	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	37.6
61.98708	2.2
71.01261	5.1
71.57810	3.2
73.42184	1.8
78.95795	2.4
89.02326	5.0
101.02289	4.7
119.03422	2.0
123.73924	1.9
161.04405	2.2
209.11810	2.4
217.00288	3.1
231.21083	2.3
232.97536	2.8
253.09236	17.2
275.20132	100.0
276.20615	6.5
360.01767	2.1
382.25394	2.2
390.83920	2.1
571.34088	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	572.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	0.7
65.99726	0.2
69.03312	0.2
69.84510	0.7
71.01260	0.4
85.02838	0.2
87.00728	0.3
89.02345	0.2
93.03361	0.2
96.95890	0.6
98.20525	0.2
116.04947	4.4
117.96745	0.1
121.02872	0.2
131.03694	0.3
132.04445	0.3
133.02847	0.2
134.03610	0.2
135.04433	0.2
137.02374	0.2
138.03137	0.3
149.02350	1.0
150.03128	0.3
152.01051	0.3
159.03152	1.1
160.03949	100.0
161.04297	4.3
164.04721	0.6
173.04494	0.2
174.01921	0.9
174.05576	0.2
175.00244	0.8
175.02362	0.2
176.01024	0.2
190.02640	1.7
191.03394	0.5
191.05455	0.3
193.05052	0.2
195.06471	0.2
204.02979	4.5
205.03374	0.3
205.05054	1.8
212.03494	0.4
218.04503	2.9
219.04936	0.2
223.06084	0.5
225.70709	0.2
238.05179	0.2
240.23808	0.1
249.04340	0.2
250.04991	0.2
253.08461	0.1
276.03021	0.4
277.03720	0.4
290.04562	0.3
292.06152	1.6
294.04123	0.5
308.05682	0.3
309.06403	0.2
316.11105	0.1
322.09525	0.4
324.08740	3.6
325.09189	0.2
336.05121	0.6
351.07574	0.3
353.08615	0.7
366.08264	17.9
367.10114	2.7
368.10696	0.2
397.09116	0.2
528.15472	0.2
572.14081	8.1
573.14099	1.2
599.41193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01223	0.5
60.74835	0.5
63.70555	0.5
70.44792	1.5
70.45141	0.6
71.71931	0.5
78.95771	74.2
83.35403	0.5
96.96832	16.4
108.23516	0.5
115.03249	0.6
121.68601	0.5
150.97910	0.6
152.99480	65.7
153.99765	0.8
171.00562	0.6
197.82529	0.5
223.00017	2.4
241.01131	33.4
242.01588	0.8
255.23248	82.3
256.23587	7.0
259.02237	1.2
299.44788	0.6
314.11624	0.6
315.04831	10.9
316.05493	0.7
391.22516	6.7
571.28827	100.0
572.29169	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	571.2883
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.72921	0.6
56.75454	0.6
59.83295	0.6
63.84692	0.6
70.44813	2.0
78.95772	70.8
82.32275	0.8
82.51582	0.6
96.96838	16.9
150.97916	0.7
152.99489	69.8
153.99806	0.9
159.83156	0.6
179.05359	0.7
191.33430	0.7
204.86787	0.7
223.00099	2.0
241.01146	36.0
242.01567	1.0
255.23257	78.0
256.23672	4.9
259.02322	1.0
269.83258	0.6
272.92715	0.6
315.04852	9.9
391.22458	5.5
571.28851	100.0
572.29071	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	571.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	9.6
59.01249	100.0
61.98689	11.0
69.03314	18.7
69.29568	4.6
71.01248	56.1
71.24759	5.6
71.58150	5.0
72.99180	11.8
73.02808	18.7
75.00751	17.0
83.01270	8.4
83.04864	8.2
85.02824	25.4
87.00757	16.2
87.19707	4.6
89.02325	25.4
91.01782	7.1
93.03329	38.3
95.01258	7.6
96.95882	10.2
97.02834	12.3
99.00763	15.7
101.02349	24.9
103.03851	6.7
103.22865	5.3
108.02036	12.3
109.02822	25.8
113.02325	20.2
117.03368	4.6
119.03349	7.9
119.04888	6.4
121.02829	19.2
123.00809	4.9
123.04425	6.2
124.01568	5.5
125.02336	11.8
134.03619	8.5
135.00772	6.4
135.04393	13.6
137.02336	27.1
145.02898	5.3
149.02299	9.6
149.99390	7.8
151.00238	8.2
151.03865	6.4
152.01031	16.1
152.02193	5.1
153.01787	10.3
155.03423	6.6
161.02267	12.3
161.04518	5.9
163.03889	18.8
164.04779	8.0
165.05437	13.0
175.00269	10.3
175.02448	5.1
175.03886	7.6
183.13802	7.4
185.00768	10.6
190.02617	7.7
191.05461	8.4
193.04945	9.9
198.06844	5.3
205.04959	17.4
205.06941	6.2
223.06050	8.3
227.07028	37.5
227.12708	8.2
267.07025	6.8
269.04489	6.4
284.03424	4.8
285.03989	18.8
286.04141	6.9
286.43661	5.3
311.92270	5.5
325.07159	6.1
331.06726	6.4
343.08353	9.8
349.07025	5.7
361.16565	14.9
365.18042	7.1
373.25894	6.3
571.15430	6.3
571.26855	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	571.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42680	0.6
55.49376	0.7
59.01253	4.7
63.02661	0.6
67.01771	0.9
69.03326	14.3
71.01266	3.4
72.99181	1.3
75.00739	0.8
85.02830	2.2
93.03342	5.5
95.01274	2.1
95.04890	0.8
96.95901	2.6
97.02829	3.6
98.20562	1.3
99.00753	3.8
99.45381	0.8
101.02350	1.7
107.04897	1.1
108.02044	2.4
109.02834	2.0
113.02354	1.6
117.71090	0.9
119.04912	1.1
121.02838	5.9
122.03633	14.9
123.00784	1.1
123.04496	1.4
124.01578	0.8
125.02348	1.1
132.02054	1.7
133.02835	2.6
134.03647	1.6
135.04427	5.0
136.01559	2.7
137.02324	2.4
139.03906	1.1
141.01840	1.3
149.02342	28.6
149.05933	0.8
150.03122	97.4
151.03737	5.4
151.07481	0.7
152.01044	1.8
159.04382	0.8
160.01552	1.6
161.02376	1.9
163.03891	1.3
163.07544	0.7
164.04712	6.2
165.05475	100.0
166.02687	0.9
166.05833	3.5
167.03426	1.0
167.07021	2.4
173.04483	0.9
175.03900	1.7
177.01875	1.3
179.05586	0.8
179.07018	1.5
180.04190	7.0
180.07787	3.0
181.04942	2.6
185.00810	11.0
190.02602	2.1
191.05504	1.7
193.04956	0.8
195.06551	49.8
196.06876	3.1
202.20584	0.7
205.04930	1.7
208.07367	1.8
212.04724	2.9
223.05956	1.2
225.05540	0.9
227.03465	0.9
228.04187	2.5
231.10370	1.2
240.04091	0.9
243.10291	0.8
251.07103	0.7
253.08687	1.0
256.03809	6.4
259.09680	0.8
267.06613	1.9
269.08194	3.1
271.06519	0.8
271.09677	3.5
282.08972	0.8
283.09784	3.0
284.06787	0.8
285.04163	0.8
285.07687	1.6
287.09210	1.5
297.07727	4.0
298.07999	1.0
299.09161	2.8
299.12601	1.5
309.07410	0.8
310.08505	1.6
311.09253	7.2
312.09882	1.6
313.10626	0.8
314.07990	1.6
314.11230	1.0
315.08862	4.8
325.10449	0.8
326.11588	2.5
327.08615	7.8
327.12326	5.7
328.09033	1.3
329.10321	2.0
329.13998	2.5
330.11014	17.1
331.11526	2.9
342.10779	2.5
343.11816	1.7
344.12576	1.1
345.13406	61.6
346.13712	7.2
349.06985	0.9
357.13406	22.6
358.13687	3.0
375.14508	6.1
379.08047	0.8
409.07715	5.3
409.12601	1.0
447.14130	1.3
493.18716	12.3
494.18607	0.9
523.19678	39.3
524.20001	6.3
535.31116	2.5
541.20514	1.4
553.09668	1.2
571.11401	1.3
571.21649	8.9
572.22168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2998
Annotation	LRRK2-IN-1
Peak:m/z	Relative Intensity
57.13595	0.4
59.01249	1.0
63.96104	1.4
69.03315	0.8
70.14969	1.3
71.01252	7.5
73.02807	1.7
78.98458	5.6
79.95602	11.4
80.96384	70.2
81.03304	0.8
83.01279	0.4
85.02821	3.3
87.00739	2.7
87.01194	0.4
94.97953	16.9
96.95878	1.2
97.02832	1.3
99.00750	0.6
101.02300	2.0
106.97942	3.5
122.97448	3.4
125.02334	3.2
127.03883	0.9
127.35733	0.4
134.97466	5.6
136.99013	1.5
146.97548	0.4
148.99026	6.3
152.98514	6.0
164.98526	13.4
167.00050	0.7
206.99620	3.0
225.00685	16.7
226.01064	0.5
269.24780	1.9
299.04349	3.7
455.66156	0.4
496.72321	0.4
502.10873	0.4
569.29962	100.0
570.30353	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	571.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58146	1.2
51.65052	1.1
59.01241	4.4
68.99697	1.7
69.03307	4.9
70.99812	1.4
71.01238	5.0
71.58580	2.2
72.99184	2.9
75.00735	2.7
78.65830	1.4
81.03328	1.9
83.01244	1.8
83.04908	1.4
85.02816	6.5
87.00758	2.1
89.02306	2.2
93.03330	4.2
95.01273	10.8
96.95891	3.1
97.02821	3.8
99.00740	3.0
101.02307	2.6
107.01228	1.5
108.02048	69.6
109.02871	20.6
111.00732	1.8
113.02308	5.5
119.01260	2.3
121.02827	5.6
123.00778	11.5
123.04429	2.2
124.01546	4.0
125.02309	5.7
133.02791	1.5
134.03534	1.9
135.00774	5.1
135.04436	2.4
136.01532	3.4
137.02338	2.8
138.99222	1.4
139.00258	5.7
141.01802	5.0
143.51604	1.4
147.04416	1.9
149.02342	8.1
150.03079	4.3
151.03917	4.0
152.01054	100.0
153.01840	28.8
161.05928	2.1
163.00253	2.3
163.03886	4.2
164.01059	1.9
164.04675	4.3
165.01778	4.1
165.05501	6.3
166.02608	2.2
166.99734	6.7
167.03448	2.5
168.00555	16.8
173.04500	3.1
174.01654	2.0
175.00331	1.9
179.03397	3.1
181.01295	1.5
181.05025	1.6
190.02609	4.1
190.99748	4.1
191.03362	2.2
192.00606	1.8
195.02898	2.7
195.06567	3.1
205.05011	4.6
206.02101	1.6
211.05952	1.5
223.05980	4.8
249.93788	1.7
297.06116	7.0
315.07230	33.7
316.07504	4.9
327.12595	1.9
331.06915	2.2
463.09119	1.9
479.08099	2.0
505.18231	3.0
520.11963	7.4
521.13116	16.9
522.14160	2.2
571.22668	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	569.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66995	0.9
57.03328	1.7
57.91920	1.0
59.01252	20.6
60.01584	1.4
61.87001	1.0
61.98705	50.9
63.08187	1.1
63.87260	0.9
65.03839	7.6
67.01760	4.1
69.03327	2.1
69.28176	2.5
69.28582	8.8
70.04800	1.0
71.01249	6.7
72.99196	2.6
73.02832	2.1
83.01266	1.2
83.04885	1.2
85.02836	7.5
89.02313	2.6
93.03362	1.4
95.01290	2.1
96.95906	2.4
99.00764	2.1
101.02332	3.9
108.02055	1.8
109.02840	89.8
110.03188	1.9
113.02319	3.2
121.02841	23.1
121.03657	1.5
123.00772	2.7
124.01560	3.6
125.02353	2.0
126.30834	0.9
133.02867	2.3
135.04437	4.9
136.01587	1.2
137.02350	1.2
138.36629	0.9
139.03914	2.8
149.02284	2.1
153.01831	1.3
160.01590	2.5
161.02341	1.7
161.04446	2.1
164.04637	1.4
165.05519	1.5
167.10710	1.1
171.04391	5.2
171.10179	4.4
173.02448	1.1
175.03949	4.5
183.04466	5.9
185.00916	1.3
187.03963	3.6
195.04536	1.1
196.05136	1.2
197.11766	6.6
198.03291	1.6
199.03972	10.8
200.04477	1.1
209.11768	12.3
211.03961	13.3
212.04541	2.1
213.01961	1.3
213.05453	1.9
223.03877	1.2
225.05460	2.0
227.03455	13.5
227.12909	3.6
237.05525	1.6
239.03481	2.5
240.04173	3.3
241.05035	4.3
251.03499	2.0
252.04140	1.5
254.02007	1.1
255.02974	86.6
256.03680	31.7
257.04318	2.8
263.03763	1.1
264.04239	1.7
265.05136	2.1
267.03049	6.5
268.03787	7.6
269.04544	12.8
270.05334	100.0
271.05948	23.6
272.06793	2.6
273.07858	4.9
279.03018	3.7
280.03781	26.2
281.04477	4.7
282.05350	10.9
283.06039	6.0
284.03476	1.2
284.06854	3.1
285.03952	2.8
285.13419	3.1
292.03745	1.7
293.04483	3.2
295.06036	7.6
297.04449	1.8
297.07672	13.2
303.06714	1.7
305.04715	2.1
306.05145	1.2
308.03265	1.4
315.06723	2.8
317.04367	1.4
321.03912	1.2
322.04764	1.9
323.05579	2.9
327.06470	1.4
329.08197	1.3
330.05450	1.5
331.06067	2.3
333.07825	1.2
341.16095	1.9
342.05243	1.4
343.06366	2.4
346.30231	1.2
347.05545	1.7
355.06174	2.9
357.07855	2.1
359.05771	2.2
360.06268	1.3
361.07266	1.6
371.05600	2.0
372.06238	2.3
373.07327	3.2
383.05438	1.8
384.06372	1.6
385.06888	1.5
399.05121	4.0
400.05765	3.5
401.06503	5.7
402.07117	2.3
411.04877	1.7
412.05847	3.2
414.07458	1.9
415.08627	4.8
416.05402	3.3
417.05988	9.1
418.06180	1.2
429.05573	8.2
430.06619	2.9
431.07486	6.5
432.08447	9.3
433.09149	1.7
444.08609	12.9
445.08859	3.7
446.10123	7.5
447.10840	35.9
448.11145	5.2
459.10873	52.6
459.17325	2.6
460.11234	6.1
508.35562	8.0
509.36279	3.3
537.11737	2.3
551.13495	1.6
554.12231	7.3
569.14600	62.0
569.28546	6.8
570.14917	12.3
581.46313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	5.0
61.98687	4.0
65.03829	8.7
67.01758	5.6
67.99225	0.9
71.01262	1.8
76.92305	1.0
81.03361	1.1
85.02798	1.9
93.03326	2.0
95.01273	1.6
96.95873	7.0
98.20530	3.2
101.02312	1.6
108.02030	2.5
109.02828	100.0
110.03167	2.2
113.02331	1.9
121.02832	17.3
123.00733	2.7
124.01540	3.9
125.02334	2.5
132.02029	1.6
133.02805	2.5
135.04427	6.0
136.01518	1.7
149.02367	2.8
152.01044	1.5
160.01520	2.3
161.02357	1.7
171.04364	3.9
171.10187	1.3
175.03905	4.4
182.03665	1.6
183.04355	3.1
187.03902	2.1
190.02525	1.2
195.04420	1.1
196.05286	1.0
199.03983	6.7
200.04575	1.2
211.03961	7.7
212.04610	1.7
223.03967	1.6
225.05527	1.4
227.03404	9.7
239.03337	2.6
240.04112	2.4
241.04974	4.1
251.03418	1.9
253.05077	2.0
254.01860	1.1
254.05807	1.3
255.02950	49.2
256.03690	24.5
257.04343	4.2
258.05219	1.7
261.05786	1.1
263.03485	1.6
264.04221	3.4
265.04919	2.9
267.03043	5.4
268.03656	5.4
269.04486	8.1
270.05313	52.8
271.05975	13.5
272.06671	2.3
273.07611	3.4
279.02899	2.8
280.03763	19.1
281.04404	4.8
282.05258	15.4
283.03082	1.1
283.05969	5.6
284.03336	6.1
285.03979	16.1
292.03809	1.9
293.04449	2.8
294.05267	1.3
295.06134	8.3
297.07654	18.0
298.07840	1.9
303.06699	1.1
304.03683	1.5
305.04410	2.9
307.02594	2.2
307.05820	1.3
308.03171	1.4
315.06601	2.8
322.04901	1.9
323.05396	2.0
327.06305	1.4
328.07129	1.4
329.08069	2.1
331.05981	1.7
333.03854	1.5
339.06659	1.7
343.06140	2.3
344.06638	2.4
355.05997	2.4
356.06738	1.6
358.08459	1.5
359.05380	2.1
367.05954	2.6
370.04260	1.3
371.05563	2.7
373.06943	3.2
383.05539	3.7
384.06357	2.4
385.07047	2.4
397.07156	1.6
399.05127	4.6
400.05627	2.4
401.06488	3.7
411.05118	3.2
412.05609	2.1
414.07242	3.0
415.08105	3.1
416.05121	2.6
417.06122	4.5
426.06982	1.4
427.08099	3.0
428.04907	1.8
429.05396	9.4
430.06680	2.4
431.07632	7.5
432.08264	3.4
443.07303	1.8
444.08398	21.4
445.08878	3.6
446.09995	12.7
447.10797	25.1
448.11072	3.7
453.09845	1.3
459.10803	73.0
460.11160	9.3
537.11139	1.1
551.13605	2.7
554.12622	4.8
569.14642	58.6
570.14990	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	567.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.0
57.03317	3.0
58.00465	1.5
59.01249	94.0
61.98701	61.7
68.99681	0.8
69.03316	1.2
69.26651	1.9
69.26991	9.4
71.01254	33.5
72.99178	3.4
73.02492	1.1
73.02825	11.6
75.00728	2.6
78.95744	1.6
83.01251	6.4
85.02820	17.8
87.00741	2.7
89.02323	11.8
93.03324	3.5
95.01250	3.8
96.95862	1.4
97.02821	1.1
98.19814	1.5
99.00742	5.3
101.02322	30.1
109.02817	1.5
111.00811	2.2
113.02319	16.3
119.03397	6.1
125.02317	2.0
129.01843	1.4
135.04382	1.5
137.02321	4.8
139.16296	0.8
142.53175	1.0
143.03371	2.5
149.02318	1.2
152.01102	1.1
153.01842	1.5
159.02858	3.4
160.01601	1.8
161.04460	14.1
165.01633	0.9
173.04515	1.3
175.00337	1.3
175.03922	1.5
179.03662	0.8
179.05473	3.6
183.13857	1.0
190.02649	1.2
191.05521	1.4
192.61882	0.8
205.05003	1.2
209.11757	2.6
223.05975	1.0
231.08131	1.9
269.04440	1.0
285.03769	2.3
285.07278	2.1
299.25671	1.2
317.02097	1.0
345.30057	8.1
394.49753	1.0
507.35342	100.0
508.35733	14.2
553.20636	1.0
567.12036	1.6
567.28748	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	567.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	2.2
57.03322	2.6
58.00466	1.7
59.01248	81.2
60.07586	0.7
60.43942	1.0
61.98698	34.7
63.31820	0.8
63.44226	0.8
63.76288	0.7
69.03309	0.9
70.58653	2.5
71.01247	27.9
72.01600	0.9
72.99182	2.2
73.02814	8.8
75.00739	1.0
77.06815	0.8
83.01255	6.2
85.02821	15.0
86.99045	0.7
86.99631	0.8
87.00747	2.1
89.02312	13.2
93.03332	1.7
95.01271	2.4
96.95874	1.7
99.00735	3.8
101.02320	25.4
101.03003	1.4
108.02020	1.1
109.02815	1.9
111.00766	1.0
113.02321	12.2
119.03360	4.6
121.02871	1.6
125.02355	1.8
131.03285	0.8
135.04448	0.9
137.02322	3.8
141.01659	0.9
143.03345	1.1
149.02357	0.8
149.04350	1.2
150.03171	1.0
153.01889	1.1
159.02904	2.5
160.01524	1.3
161.02344	1.1
161.04430	12.2
179.05444	1.8
190.02666	1.0
193.04967	1.0
205.03459	1.0
209.11763	1.1
256.03503	0.8
269.04385	0.8
272.25018	0.9
285.04047	1.8
311.05582	1.0
345.29935	6.4
346.30368	0.9
401.14481	1.1
407.17303	0.9
492.34128	1.0
507.35300	100.0
508.35672	15.0
567.12708	1.4
567.21124	1.1
567.29694	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	567.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37965	0.6
54.53488	0.6
55.01764	0.7
57.03309	1.3
59.01247	3.6
61.98709	1.3
65.00198	1.0
65.37077	0.7
71.01255	2.3
71.51891	0.5
71.59148	0.6
74.49969	0.5
75.00753	0.7
81.03322	7.2
83.01247	4.7
85.02817	1.7
87.00729	0.6
89.02299	1.3
93.03327	5.6
95.01292	0.8
95.04874	0.7
96.95889	0.6
99.04382	0.9
101.02372	0.8
107.01260	1.3
109.02802	1.1
119.04923	7.6
123.03523	1.3
123.04411	23.2
124.01503	0.7
125.02345	12.9
126.24081	0.7
135.04404	2.3
136.86047	0.7
137.02362	3.6
139.03976	0.7
149.02351	1.9
151.00285	5.6
152.00880	0.6
153.01871	2.1
161.02328	0.8
161.39027	0.5
163.03848	0.6
165.01811	1.0
167.03418	61.8
168.03757	2.5
173.04494	1.0
179.03415	7.5
189.05521	1.9
191.03374	1.7
193.04990	1.0
205.05081	0.8
208.00220	0.9
209.00894	0.8
218.94388	0.6
229.08623	0.6
249.06187	0.9
267.07266	2.3
273.07684	100.0
274.07996	7.8
287.05563	0.9
288.05939	0.9
289.06293	0.8
315.08798	0.8
357.09671	1.9
373.07739	0.8
387.10541	1.2
398.39240	0.7
413.07297	0.9
417.11771	0.7
419.11975	0.8
567.17017	14.6
568.17596	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	567.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01245	3.5
61.98705	0.8
65.13953	0.2
69.03333	0.4
69.38940	2.1
71.01239	2.3
72.99169	0.6
73.02817	0.8
75.00754	0.7
78.95782	0.3
82.91096	0.2
83.01263	0.6
83.04910	0.3
85.02813	1.6
86.22988	0.2
87.00761	0.7
89.02317	1.4
93.03333	1.0
95.01266	1.8
96.95918	0.5
97.02823	0.4
99.00750	0.7
101.02320	1.7
105.01797	0.3
107.01279	0.5
107.04948	0.3
108.02060	1.7
109.02833	1.8
111.00748	0.4
111.04419	0.4
112.61800	0.3
113.02354	1.1
115.46000	0.3
119.03374	0.6
121.02862	0.8
123.00760	7.1
123.04436	0.5
124.01548	100.0
125.01762	2.4
129.01860	0.4
132.02043	0.4
133.02820	0.7
134.03606	1.0
134.38718	0.2
135.04376	1.2
137.02342	1.6
139.03947	0.5
145.02876	0.4
147.04408	0.4
149.02336	1.1
149.99493	0.7
150.03149	0.5
151.00267	0.9
151.03918	0.7
152.01045	1.1
153.01828	2.3
155.03400	0.5
160.01530	0.6
161.02303	1.3
161.04466	0.5
163.00334	0.3
163.03854	0.7
163.06062	0.4
164.04686	0.5
165.01791	0.5
165.05452	0.6
166.99754	2.2
167.03383	0.6
168.00529	1.8
169.01318	0.4
173.04442	1.2
174.05559	0.3
175.00270	0.4
175.03931	1.0
177.01778	0.4
177.05470	0.3
179.03387	1.4
179.43851	0.2
181.01369	0.5
181.04938	0.3
183.02968	0.4
190.02599	0.7
191.03265	0.3
191.05598	1.3
191.07048	0.4
193.04962	1.1
195.06410	0.3
197.04503	0.5
199.07516	0.4
199.13220	0.3
200.45844	0.3
205.04918	0.8
215.07063	13.9
216.07367	0.8
218.04466	0.3
223.05980	0.9
239.05476	0.3
243.06528	0.4
257.04318	0.3
259.02286	0.3
259.06168	0.7
269.04568	0.3
283.06104	0.5
287.04919	0.3
297.03955	0.3
298.04675	0.9
299.05447	0.6
333.94620	0.3
349.09210	0.5
361.14795	0.8
369.09790	1.9
507.18231	0.5
507.76785	0.3
523.10883	0.4
523.18018	1.0
531.14594	0.7
537.21442	0.5
567.16791	16.3
568.16956	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	567.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.3
59.01245	3.5
61.98705	0.8
65.13953	0.2
69.03333	0.4
69.38940	2.1
71.01239	2.3
72.99169	0.6
73.02817	0.8
75.00754	0.7
78.95782	0.3
82.91096	0.2
83.01263	0.6
83.04910	0.3
85.02813	1.6
86.22988	0.2
87.00761	0.7
89.02317	1.4
93.03333	1.0
95.01266	1.8
96.95918	0.5
97.02823	0.4
99.00750	0.7
101.02320	1.7
105.01797	0.3
107.01279	0.5
107.04948	0.3
108.02060	1.7
109.02833	1.8
111.00748	0.4
111.04419	0.4
112.61800	0.3
113.02354	1.1
115.46000	0.3
119.03374	0.6
121.02862	0.8
123.00760	7.1
123.04436	0.5
124.01548	100.0
125.01762	2.4
129.01860	0.4
132.02043	0.4
133.02820	0.7
134.03606	1.0
134.38718	0.2
135.04376	1.2
137.02342	1.6
139.03947	0.5
145.02876	0.4
147.04408	0.4
149.02336	1.1
149.99493	0.7
150.03149	0.5
151.00267	0.9
151.03918	0.7
152.01045	1.1
153.01828	2.3
155.03400	0.5
160.01530	0.6
161.02303	1.3
161.04466	0.5
163.00334	0.3
163.03854	0.7
163.06062	0.4
164.04686	0.5
165.01791	0.5
165.05452	0.6
166.99754	2.2
167.03383	0.6
168.00529	1.8
169.01318	0.4
173.04442	1.2
174.05559	0.3
175.00270	0.4
175.03931	1.0
177.01778	0.4
177.05470	0.3
179.03387	1.4
179.43851	0.2
181.01369	0.5
181.04938	0.3
183.02968	0.4
190.02599	0.7
191.03265	0.3
191.05598	1.3
191.07048	0.4
193.04962	1.1
195.06410	0.3
197.04503	0.5
199.07516	0.4
199.13220	0.3
200.45844	0.3
205.04918	0.8
215.07063	13.9
216.07367	0.8
218.04466	0.3
223.05980	0.9
239.05476	0.3
243.06528	0.4
257.04318	0.3
259.02286	0.3
259.06168	0.7
269.04568	0.3
283.06104	0.5
287.04919	0.3
297.03955	0.3
298.04675	0.9
299.05447	0.6
333.94620	0.3
349.09210	0.5
361.14795	0.8
369.09790	1.9
507.18231	0.5
507.76785	0.3
523.10883	0.4
523.18018	1.0
531.14594	0.7
537.21442	0.5
567.16791	16.3
568.16956	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	567.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68951	0.3
55.01743	0.3
57.03310	0.6
59.01250	6.4
60.01578	0.4
61.98706	0.4
67.01748	0.6
68.99705	0.5
69.03325	1.1
71.01247	2.7
72.79810	0.3
73.02827	1.0
75.00728	0.7
79.01754	0.4
81.03321	2.8
83.01257	0.4
83.04890	0.3
85.02824	1.4
87.00744	1.1
89.02317	0.8
90.96262	0.3
91.01773	0.4
93.03318	2.0
95.01260	8.3
96.95882	0.8
97.02810	1.9
98.19757	0.8
101.02320	1.9
105.03350	1.1
107.01265	6.3
107.04903	0.5
108.02051	0.9
109.02836	3.1
111.00744	1.0
111.04398	0.8
113.02315	1.2
117.03352	0.7
119.04916	0.4
121.02850	2.5
123.00767	6.9
123.04395	1.3
124.01564	3.8
125.02330	14.1
129.01773	0.4
131.03442	0.5
133.02835	1.4
134.03618	2.4
135.00761	1.1
135.04443	3.7
137.02322	4.5
139.03902	0.5
139.11195	0.3
141.01859	2.1
145.02847	0.5
147.04378	0.6
149.02325	2.0
149.99484	46.3
151.00276	27.9
151.03864	1.3
152.00816	1.1
153.01813	0.8
155.03406	1.0
159.04367	0.3
160.01570	1.1
161.02321	1.6
161.04436	0.6
163.00270	1.7
163.03932	1.3
165.01819	4.3
167.03377	0.7
168.00548	12.8
169.01320	12.5
173.04427	3.0
175.03902	1.7
177.01830	0.7
178.02617	0.4
179.03438	1.6
181.01349	0.6
183.10222	1.1
191.03381	1.2
191.05389	0.5
193.01334	5.3
193.04988	2.8
194.01743	0.3
203.10680	0.4
205.01265	0.6
205.05122	0.6
206.15370	0.3
223.02307	0.4
229.79242	0.4
249.05925	0.4
259.06042	0.5
313.05432	0.4
335.07697	0.6
336.07996	0.6
349.09320	2.5
350.09604	0.4
362.29770	0.5
431.12131	0.5
441.10480	0.5
459.11407	100.0
460.11746	10.6
506.33954	2.8
507.34399	1.2
521.33411	0.5
524.35303	0.9
529.13422	1.0
567.25494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09477	2.3
55.01735	3.6
57.03315	7.7
57.95369	2.9
59.01252	100.0
61.98701	16.3
62.64557	2.4
65.03812	3.7
68.99682	3.1
69.03335	5.0
69.43483	23.9
71.00086	2.5
71.01251	57.0
71.04894	2.6
72.99179	4.9
73.02799	15.1
75.00736	6.9
78.95770	6.1
79.95608	3.8
80.96350	4.2
83.01247	13.3
85.02822	31.1
87.00738	8.0
89.02306	10.8
93.03328	8.3
95.01255	7.9
96.95869	7.0
97.02813	5.3
99.00754	11.0
101.02332	40.9
108.02028	5.6
109.02846	36.8
113.02321	25.0
119.03374	4.1
125.02347	7.3
132.02074	3.5
133.02771	3.4
134.03630	23.5
135.00761	6.4
135.04408	5.1
137.02325	10.2
143.03445	4.8
149.02345	3.2
149.05948	5.5
152.01044	8.6
152.07005	3.0
153.01843	78.8
153.09120	6.4
160.01607	18.8
161.02414	3.0
161.04457	11.3
164.04617	3.2
165.01888	3.1
165.12813	4.0
168.00545	3.2
173.04463	4.0
175.03914	24.1
178.02599	6.9
179.03448	5.1
179.05557	4.3
185.80522	2.8
190.02704	8.3
191.03412	2.5
191.05534	6.4
193.04980	27.8
194.05247	4.0
197.40344	2.6
205.05048	10.5
223.06088	5.7
227.12903	3.9
261.85876	2.9
315.07153	3.7
343.28473	6.1
357.26483	2.9
461.31204	4.4
505.26450	6.0
505.33774	93.3
506.33923	13.3
545.85895	3.8
565.22742	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	565.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04719	1.7
55.01731	2.4
57.03325	5.5
58.00445	1.8
59.01249	72.8
61.98701	36.8
69.03285	2.3
71.01248	36.5
71.58199	1.6
73.02815	9.7
75.00726	3.2
76.69138	1.6
78.95758	2.2
81.03328	2.1
83.01248	5.4
85.02824	20.4
87.00735	2.7
89.02310	23.8
89.95251	1.6
93.03320	11.6
94.03652	2.5
96.95898	3.1
99.00759	3.7
101.01683	2.5
101.02316	24.9
108.02030	3.5
109.02823	5.0
111.00757	2.9
113.02321	20.4
119.03384	8.6
121.02773	2.7
124.01530	1.9
125.02348	3.3
129.01746	2.2
132.02023	3.3
133.02837	2.0
134.03627	57.4
135.04321	2.6
137.02353	15.9
138.02660	3.6
139.02777	1.9
139.03882	2.5
143.03358	3.6
144.56038	1.6
146.98920	1.9
149.02333	3.0
149.05972	20.2
151.00250	2.0
152.01044	3.4
153.01804	4.9
157.04196	1.8
159.02910	2.4
160.01555	20.7
161.04462	10.9
163.03874	3.4
165.12775	11.1
168.00479	2.1
173.04411	2.7
175.03908	22.8
177.01776	1.7
178.02615	32.8
179.03229	3.5
179.05484	4.1
183.13817	18.5
190.02617	3.6
191.05502	4.1
193.04980	100.0
194.05338	5.9
207.13867	2.0
209.11760	3.3
227.12787	23.3
251.12836	2.7
257.21210	16.5
267.81836	1.6
293.13666	2.7
337.09201	2.2
343.28485	7.2
355.10306	15.0
371.16959	6.9
389.17908	3.4
397.22491	1.9
505.33771	44.2
506.33969	5.8
529.26526	13.2
547.21088	2.2
565.22437	17.2
566.23090	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94786	16.9
59.01251	87.2
61.98695	28.9
69.87907	100.0
74.63582	16.5
78.72031	18.0
78.95796	19.0
96.95901	19.5
137.09593	71.8
158.43172	16.4
195.99800	18.4
217.00261	37.2
262.62772	18.0
267.99857	20.7
269.06989	57.7
293.21063	27.3
592.99347	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	565.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47143	1.6
53.80930	1.7
55.01757	2.1
55.17640	2.0
57.03310	3.3
58.00457	2.1
59.01256	100.0
61.98701	5.2
63.10951	1.8
69.03331	2.6
69.39771	17.4
71.01257	30.2
72.99181	2.5
73.02837	11.0
75.00739	3.6
81.03351	2.6
83.01269	6.8
83.04862	2.2
85.02823	17.5
86.03200	1.8
87.00743	5.3
87.41908	1.8
89.02325	6.4
93.03329	7.1
95.01268	4.2
97.02834	3.9
99.00786	6.5
101.02335	17.4
108.02044	13.3
109.02826	6.1
111.00752	4.4
113.02325	14.1
115.07532	2.7
119.04861	1.8
121.02845	11.9
121.60208	1.7
122.03163	5.1
123.04424	2.4
124.01552	5.8
125.02377	2.7
125.09604	2.2
129.01843	3.0
134.03633	4.9
135.04390	3.2
137.02341	8.8
139.00279	2.6
143.03378	4.4
149.02324	3.4
151.03908	3.3
152.01054	15.7
153.01840	8.7
159.02844	2.6
160.01505	3.0
161.04474	6.9
163.03903	2.7
169.05029	2.7
175.03902	6.3
178.02644	1.8
191.05510	2.3
193.04980	5.9
223.06070	2.2
239.20465	1.9
283.97977	2.2
285.03909	2.5
303.84830	1.8
315.25308	3.2
317.26913	3.7
461.31186	58.4
462.31580	6.8
479.32123	15.6
480.32959	2.6
504.18033	2.1
505.33862	12.6
521.33002	2.5
523.34674	2.3
565.23285	14.1
566.24414	3.4
566.32727	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	565.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.8
58.87924	0.9
59.01249	16.3
59.49261	0.9
61.91787	0.8
65.00215	1.4
69.03315	1.1
69.40102	7.6
71.01254	16.4
72.99162	2.5
73.02813	2.5
75.00761	2.4
78.95759	1.2
85.02829	8.4
87.00745	4.6
89.02305	6.0
91.01817	2.0
93.03341	4.1
95.01264	1.3
96.95871	2.0
98.19809	1.8
99.00787	1.4
101.02332	5.7
108.02067	2.7
109.02850	3.7
113.02340	7.0
115.00269	5.0
116.92757	1.9
117.03319	4.8
119.01219	4.8
119.03384	1.5
119.04952	2.3
121.02852	9.7
122.03644	1.8
123.00823	1.0
123.04424	2.1
124.01538	1.3
125.02362	3.7
132.02061	13.1
133.02806	1.2
134.03632	43.7
135.04381	3.4
137.02342	5.0
147.00816	2.9
147.04390	5.1
149.02350	52.6
149.05988	5.6
150.02863	2.8
151.03894	2.4
152.01082	3.3
152.04768	1.1
153.01814	4.1
159.04500	1.1
160.01563	42.4
161.02258	3.7
161.04443	1.6
162.03152	3.3
163.03882	3.6
164.04701	51.1
165.01865	2.6
165.05324	3.7
166.99625	1.0
167.03387	1.4
173.04480	2.0
174.98781	1.6
175.00301	27.1
175.02411	6.2
175.03893	41.7
176.00838	2.1
176.04298	2.3
177.01830	2.1
177.05511	3.1
178.02589	2.9
179.03459	2.6
179.05646	1.4
179.07039	4.9
181.05014	1.3
182.05817	4.3
189.05559	1.0
190.02643	64.2
191.03284	5.3
191.05569	2.3
193.04991	73.2
194.02167	1.1
194.05388	2.6
195.06546	1.2
197.04549	1.3
197.08208	3.4
205.05011	66.1
206.05345	5.8
208.03763	2.6
209.04572	1.3
223.06076	100.0
224.06415	7.4
233.41542	1.1
235.06113	1.4
247.06189	1.4
265.07288	1.7
268.03619	1.5
269.04575	9.2
270.04883	6.6
271.05002	4.4
287.05701	1.1
341.12430	2.9
371.13562	2.7
381.82172	0.9
385.12891	4.8
393.45975	0.9
403.14163	1.3
505.20154	4.5
523.20905	1.3
535.91718	0.9
547.18408	1.2
565.19458	53.3
566.19891	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.5
56.91849	0.6
57.03305	1.3
59.01248	21.9
59.87293	0.5
61.72847	0.4
61.98687	0.5
65.00200	0.8
65.82039	0.5
67.76132	0.4
69.03312	1.8
69.54800	4.2
71.01250	12.7
72.99162	1.2
73.02823	4.5
78.95781	0.7
81.03312	1.5
83.01268	2.5
83.04860	0.6
85.02832	6.1
87.00733	2.0
89.02309	2.9
93.03316	4.1
95.01234	1.1
96.95880	1.8
97.02825	2.4
98.20483	1.1
99.00727	1.8
99.04393	0.7
101.02322	6.7
106.04118	11.0
107.01230	1.1
107.04906	24.1
108.02048	6.6
108.05247	0.6
109.02843	8.4
111.00751	0.8
111.04408	0.6
113.02299	2.6
119.01207	0.6
119.04907	1.3
121.02859	4.4
123.04427	0.8
125.02314	4.4
133.02852	0.8
134.03650	0.7
135.04381	2.2
137.02336	3.4
138.03082	0.9
149.02333	2.2
150.03090	1.5
151.00252	3.3
151.03934	1.2
152.01086	2.7
153.01833	8.5
155.84102	0.5
160.01547	1.1
161.02341	1.7
163.00319	1.5
163.03873	0.7
164.04633	0.9
165.01776	0.8
165.05374	0.9
168.00481	0.7
173.04433	1.6
175.00307	0.7
175.03857	1.9
177.01820	1.5
178.99782	0.9
179.03400	1.3
181.01282	0.6
181.04869	0.6
182.02101	1.1
190.02571	1.6
190.99840	0.8
191.05544	1.4
193.04974	1.5
205.04927	1.7
206.99283	0.9
207.02922	0.7
211.07704	1.2
213.09148	53.4
214.09470	4.4
223.06015	1.5
229.05045	0.7
257.08179	8.1
285.04126	0.6
315.07181	4.6
317.03113	2.7
361.29413	0.9
403.19589	0.8
405.17313	0.6
505.33722	5.9
507.41904	0.6
523.34467	1.7
535.62219	0.6
565.19183	100.0
566.19556	15.0
566.27893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.7
57.03321	2.3
59.01250	32.0
60.01589	1.6
61.98703	1.1
68.99724	0.6
69.03331	2.7
69.55175	4.3
71.01254	10.4
72.69797	0.6
72.99170	1.0
73.02830	2.0
78.95763	0.6
81.03324	1.4
83.01266	2.2
85.02819	7.7
87.00760	1.8
89.02327	2.1
89.43458	0.6
93.03349	2.7
95.01257	2.0
97.02851	1.6
97.06461	1.0
99.00748	1.2
101.02337	5.2
104.12862	0.6
107.04898	2.4
108.02054	67.1
109.02860	21.3
110.03095	0.7
111.00780	0.9
113.02330	5.2
119.03404	0.7
119.04920	0.7
120.05684	0.9
121.02850	1.9
123.00772	1.6
123.04426	1.2
124.01579	0.8
125.02340	4.2
133.02869	1.0
134.03600	3.4
135.04404	5.6
137.02333	3.5
149.02342	1.5
149.06039	0.8
151.00314	1.7
151.03876	2.0
152.01059	100.0
153.01859	21.0
155.03430	1.1
160.01512	2.1
161.02338	1.1
161.04457	1.4
161.09610	2.8
161.13364	1.0
163.03961	1.8
163.11205	0.8
164.04768	0.8
165.01855	1.4
173.04478	2.5
175.03896	3.7
176.00807	0.7
177.01898	1.7
179.03404	2.3
187.11189	1.6
189.09114	1.5
190.02730	1.0
193.04947	3.5
195.02850	0.7
205.05045	0.9
205.12270	2.2
223.13393	0.8
227.07068	0.8
229.18054	0.8
249.11308	0.7
257.04709	0.8
297.06216	4.4
315.07205	33.7
316.07547	2.3
349.09283	2.1
350.10028	0.8
359.27899	0.9
360.28326	1.3
361.29337	1.4
367.10480	1.2
503.19467	3.3
504.20071	0.7
504.32562	9.1
505.16876	3.6
505.33221	10.7
521.19562	1.3
522.33960	3.3
523.34546	3.5
529.13818	1.1
565.19196	94.8
566.19470	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	565.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03323	4.8
58.00477	0.8
59.01249	53.3
60.01592	1.1
61.98708	0.9
65.12292	0.7
67.01762	0.9
68.99681	0.8
69.03316	4.2
71.01251	15.3
71.04896	0.7
71.58588	1.1
72.99187	1.6
73.02809	4.6
75.00753	1.0
78.95811	0.7
81.03349	1.8
83.01246	3.1
83.04917	1.5
85.02816	11.6
87.00735	4.3
89.02313	6.3
93.03333	4.3
95.01260	5.2
95.02403	0.7
95.85729	0.6
96.45724	0.7
96.95904	1.5
97.02824	2.9
97.06460	0.9
99.00765	1.9
101.02322	11.0
106.97974	0.6
107.01279	0.8
107.04893	3.2
108.02048	60.4
109.02853	22.4
111.00758	2.0
111.04414	1.2
113.02319	10.6
114.02681	0.8
117.03391	0.8
119.03378	2.3
119.04919	1.4
121.02837	5.7
122.03632	0.9
123.00764	2.0
123.04412	2.7
124.01579	1.2
125.02327	5.5
132.02127	0.7
133.02809	2.9
133.04977	0.8
134.03633	6.9
135.00819	1.2
135.04413	10.7
136.01561	2.4
137.02350	6.9
137.09627	1.4
138.02687	0.7
139.02847	0.8
139.03918	0.8
143.03394	1.6
145.02831	0.7
146.03645	1.2
147.04413	1.8
149.02333	6.9
149.06012	1.1
149.99551	0.8
150.03085	2.5
151.00284	3.5
151.03893	5.8
152.01050	100.0
153.01846	23.4
153.05460	1.7
155.03401	1.9
155.10712	0.9
159.02895	0.8
159.04349	1.1
160.01534	4.0
161.02357	6.0
161.04454	2.8
161.05836	1.5
161.09621	3.1
161.13237	1.3
162.03087	0.9
163.03902	8.9
163.11174	1.0
164.04620	1.9
164.07060	1.8
165.01842	1.5
165.05441	1.3
166.02570	2.6
167.03380	1.7
168.00562	1.6
171.10126	1.7
172.10722	0.8
173.04489	6.6
174.03160	0.7
175.00290	0.7
175.03925	5.9
176.04475	1.2
177.01833	1.4
178.02611	1.1
178.06319	3.5
179.03493	3.6
179.05312	0.8
179.10626	0.6
181.04985	2.7
185.11864	0.6
187.11177	2.7
189.05496	1.6
189.09071	1.9
190.02557	1.3
190.06247	1.4
191.03596	1.1
191.05540	3.0
193.05026	6.1
193.08647	3.6
205.05070	1.4
205.12285	1.7
206.54651	0.7
207.02975	0.7
207.10193	0.8
209.04448	1.0
211.13264	1.2
212.13713	0.9
223.06052	1.6
223.13393	2.0
229.14336	0.9
230.14781	0.8
253.09282	1.9
254.09555	2.0
267.06964	1.1
267.12350	0.8
285.03952	0.8
297.06161	2.8
308.85184	0.6
309.07394	0.6
315.07178	33.3
316.07361	1.9
327.21701	4.4
328.22049	6.9
329.22342	3.4
335.07693	7.9
355.12097	0.8
357.13162	0.9
359.27747	1.6
360.28445	0.9
361.29596	3.5
361.40540	0.7
367.10208	1.7
369.13345	0.8
371.05298	1.2
387.14182	1.8
388.16779	1.0
389.17590	3.3
397.11469	1.0
403.19653	1.4
427.13995	1.0
499.12634	0.6
503.19351	3.2
504.32785	3.1
505.17548	3.5
505.33716	32.0
506.17300	0.9
506.33679	1.4
517.17743	0.7
521.20258	0.8
522.33368	2.2
523.34772	10.4
529.14722	0.7
535.12085	0.9
535.19702	11.4
536.19812	0.9
547.18951	2.3
565.19037	92.5
566.19434	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	565.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.8
57.03321	5.9
59.01250	55.5
60.01574	1.7
61.98698	1.1
67.01765	3.6
68.99691	1.0
69.03332	2.8
69.63492	2.3
69.63901	4.8
71.00885	1.8
71.01255	24.8
72.99188	2.3
73.02815	4.4
74.01762	1.0
75.00742	2.1
75.88918	1.1
81.03331	1.8
81.19547	1.0
83.01273	3.9
83.04900	3.2
85.02825	23.3
87.00740	7.6
89.02341	5.2
89.03835	1.8
93.03344	25.4
95.01264	5.7
96.95901	2.9
97.02814	2.2
98.19823	2.0
99.00755	3.6
99.04415	1.9
101.02332	11.7
107.04903	4.5
108.02051	21.5
109.02852	10.7
111.00764	5.9
111.04408	15.1
113.02332	21.4
114.28978	1.1
117.03348	9.5
119.03379	1.5
119.04938	2.5
121.02852	2.9
123.00752	1.5
123.04389	2.1
124.01527	1.6
125.02330	4.2
127.03923	2.0
129.01836	2.8
132.02058	13.3
133.02924	11.4
134.03632	96.8
135.00809	1.5
135.04445	86.2
136.04733	3.3
137.02335	23.3
139.00282	2.5
139.03874	1.6
143.03410	2.1
148.01585	1.2
149.02364	3.4
149.05998	12.2
151.00249	3.0
151.03896	3.9
152.01067	33.2
153.01866	9.7
153.05411	1.4
155.03416	37.6
157.01382	1.0
160.01567	63.0
161.02220	29.0
161.04424	2.0
162.02020	5.1
163.03915	2.7
165.01886	1.6
165.05461	1.8
165.12744	10.8
167.03421	2.5
168.00536	2.6
173.04471	71.1
174.04802	2.4
175.03929	73.5
176.04269	26.5
177.01865	7.0
177.04271	5.6
178.02719	2.8
179.03416	20.5
180.03712	1.6
181.04985	1.9
183.13829	30.2
190.02658	2.3
191.05510	6.2
193.04990	100.0
194.05345	17.3
195.05461	2.9
197.04367	1.2
201.14922	1.5
205.05153	1.8
205.07101	2.7
210.06755	1.1
227.12836	2.7
249.06065	2.0
263.07718	4.8
272.07391	1.3
281.08774	11.1
285.03983	1.4
288.06384	1.7
288.39148	1.2
297.06195	1.5
301.16568	3.6
315.07269	9.8
334.06668	1.8
335.07709	34.9
335.11728	2.0
336.08023	3.5
349.09265	87.2
350.09552	8.7
353.08752	8.0
361.29538	4.4
367.10312	19.6
368.10782	1.8
371.05356	4.2
388.20557	1.5
389.06479	2.3
397.11340	8.8
419.26056	1.4
425.34698	1.1
465.13925	2.5
504.32599	2.6
505.33908	29.3
522.33624	2.4
523.34766	9.7
529.13513	42.6
529.21460	2.6
530.13867	5.8
541.61469	1.3
547.21936	4.3
564.25238	19.6
564.33765	1.2
565.10883	11.0
565.25677	56.6
566.11206	1.7
566.25812	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	565.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.9
55.32704	0.7
57.03313	5.6
58.91964	0.8
59.01250	64.5
60.01584	2.1
61.98691	1.8
67.01744	4.7
68.99681	1.0
69.03323	3.0
71.01252	25.9
71.58691	1.4
72.99169	4.4
73.02811	6.0
75.00740	4.4
78.95766	1.1
81.03319	2.8
83.01256	3.9
83.04903	3.8
83.97570	0.8
85.02818	15.3
85.06509	0.9
86.03156	1.3
87.00741	5.9
87.04368	0.9
89.02287	5.4
89.74184	0.9
91.01772	0.9
91.05402	1.6
93.03333	23.4
95.01273	4.2
96.95885	2.7
97.02818	2.4
97.06475	1.3
99.00738	5.1
99.04419	1.0
101.02321	14.9
102.02666	1.1
107.04910	5.9
108.02058	9.3
109.02836	11.0
111.00750	3.6
111.04391	14.4
112.04771	1.1
113.02324	13.3
114.02675	1.7
115.03889	0.9
117.03344	8.6
119.03423	1.9
119.04891	2.2
120.26875	0.8
121.02833	2.5
123.00754	2.1
123.04393	4.0
124.01539	1.9
125.02307	4.1
127.03891	2.3
129.01842	1.5
132.02069	4.3
132.31648	0.9
133.02837	9.5
133.04958	3.9
134.03625	88.3
135.04419	100.0
136.04764	4.6
137.02333	24.2
137.05885	1.0
138.02756	1.2
139.03871	0.9
140.01065	1.0
143.03398	1.9
145.02879	2.0
147.04369	1.0
149.02330	4.4
149.05977	10.2
149.99557	1.5
150.03110	3.7
151.00272	1.7
151.03902	3.1
152.01053	12.6
153.01834	7.3
153.05466	1.1
153.09090	1.1
155.03398	37.9
157.12262	2.3
159.04353	1.3
160.00208	1.3
160.01556	26.8
161.02344	29.8
161.04318	4.5
161.05701	0.8
162.02847	1.5
163.03883	3.0
164.04706	1.0
164.41327	0.8
165.01781	1.0
165.05476	2.7
166.02641	2.1
167.03386	4.2
168.00499	1.0
171.10135	2.3
171.13875	1.5
173.04463	73.9
174.04811	2.4
175.03915	38.4
176.01016	1.0
176.04280	3.8
177.01828	2.9
177.05537	1.5
178.02518	2.7
179.03424	22.2
179.05650	1.3
180.03787	2.1
181.04987	3.3
183.13757	2.7
190.02672	2.8
191.03404	1.3
191.03781	1.4
191.05536	7.4
193.04974	94.3
194.05298	4.3
195.06602	1.3
196.94124	0.9
205.05014	3.2
211.13326	1.5
223.06117	2.1
228.07898	1.7
228.89838	1.0
240.04182	2.2
243.10193	2.1
249.06161	1.3
253.09372	1.8
254.05789	1.0
254.09708	1.1
255.06747	1.1
267.07156	0.8
269.08200	0.9
272.06610	1.7
273.07608	1.2
281.09732	2.0
283.10742	2.0
284.03195	2.3
285.04013	1.1
287.09274	3.7
299.05624	1.9
309.08472	1.0
313.07047	0.9
315.07166	3.5
327.09784	2.6
327.21793	5.0
328.22012	5.9
329.22256	0.9
334.06934	2.3
335.07690	29.1
336.08011	2.8
349.09247	77.8
350.09665	6.8
353.08740	8.9
359.09589	1.0
359.27698	1.6
360.28351	1.6
361.29535	6.6
367.10281	27.4
368.10657	2.5
371.05362	3.4
389.06314	1.3
402.96359	0.9
410.97406	1.0
449.15326	1.1
457.31882	1.0
489.14810	1.2
504.32700	8.7
505.33740	42.1
522.33557	2.7
523.34778	13.5
529.13464	66.3
530.13995	10.7
546.26910	1.0
547.21960	1.6
564.24878	2.0
565.11041	5.7
565.19751	7.2
565.24329	5.1
565.32941	1.4
566.19910	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	565.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	1.1
55.98742	0.9
58.23955	1.1
59.01263	7.0
65.00205	1.9
69.03344	1.5
71.01273	6.6
71.58706	1.4
72.72276	0.9
72.99187	6.4
73.02828	1.8
76.77325	1.1
83.01268	1.6
85.02837	6.1
87.00764	2.4
89.02315	4.9
93.03336	2.5
95.01284	2.9
96.95898	3.5
99.00773	1.6
99.92479	1.7
101.02340	3.0
107.01292	3.3
108.02067	3.0
109.02845	4.7
109.99983	9.2
111.00799	6.2
113.02352	3.1
113.99541	1.3
115.00222	1.7
116.92744	31.8
117.03355	1.9
117.92748	2.5
119.04937	1.3
121.02838	2.2
123.00798	3.4
123.04432	3.3
124.01528	3.7
124.11211	1.0
125.02345	4.5
125.99519	1.0
133.02832	1.6
134.03621	4.1
135.04436	9.7
136.01534	1.7
136.98705	1.9
137.02364	7.1
137.99455	4.3
139.00272	13.9
139.03888	1.4
141.01880	1.3
147.04369	1.6
148.01564	1.3
149.02324	4.6
149.05966	2.1
149.99474	1.1
150.03064	1.4
151.00290	7.5
151.03876	3.2
152.01039	5.2
152.04741	3.1
153.01797	2.9
153.05473	2.3
160.01611	1.3
161.02356	2.9
163.00272	3.2
164.00990	1.2
164.04739	3.0
165.01836	2.4
165.03990	1.2
165.05460	3.3
165.99001	15.7
166.29378	1.1
166.99757	7.7
167.03423	1.4
168.00508	1.0
173.04485	2.7
173.73109	1.2
174.01643	7.5
174.03017	1.7
175.00293	2.4
175.02547	1.2
175.03932	4.3
176.01085	1.2
177.01871	2.4
178.02661	1.3
178.99782	11.9
179.03415	4.6
190.02602	5.3
191.03519	1.9
191.05582	2.8
193.04982	9.0
193.98601	1.6
194.00763	1.8
194.99268	1.8
195.06575	1.1
197.04514	4.6
198.03157	2.6
199.03952	4.7
201.01904	1.6
203.03481	1.7
205.05025	4.3
206.99307	1.7
215.03403	2.8
223.06107	2.7
227.03513	5.1
227.07036	2.4
228.04051	1.1
231.02966	2.0
235.02402	1.1
242.02109	2.7
243.03012	7.6
244.03618	3.3
245.04532	1.2
255.02959	3.9
256.03693	1.4
257.04489	7.0
259.02524	2.9
269.04886	1.6
270.01663	7.4
270.04507	2.1
271.02466	47.5
272.03101	5.0
273.03851	2.9
287.01984	33.1
287.05255	1.5
288.02441	6.4
298.01181	1.7
299.01941	23.8
300.02475	4.1
301.03381	2.9
315.01352	1.9
316.02228	76.1
317.02948	32.9
318.03452	2.1
341.08899	1.3
342.02930	1.3
354.59586	1.3
359.09952	8.0
359.13922	1.4
361.16214	1.5
385.13016	2.1
405.40671	1.4
469.20770	1.9
479.08270	4.0
521.09332	100.0
522.09863	12.0
565.14331	3.2
565.19427	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	565.0475
Annotation	Udpgal
Peak:m/z	Relative Intensity
61.68071	0.3
62.09252	0.3
62.96270	0.6
69.24474	0.5
69.24875	3.0
74.78313	0.3
78.95770	100.0
81.67667	0.3
93.08627	0.3
96.96832	35.7
111.01878	7.6
115.80194	0.3
120.96857	2.2
131.89056	0.3
138.97896	3.0
150.97894	2.7
158.92436	14.1
164.03413	0.6
174.97905	1.2
176.93515	1.3
181.17422	0.3
192.98979	1.2
211.00067	3.5
241.01129	7.5
259.98941	0.3
263.36099	0.3
272.95740	3.6
280.02216	1.8
305.01721	0.8
320.97708	2.5
323.02814	43.4
324.03308	2.2
384.98407	3.6
402.99472	1.2
454.10388	0.3
517.23273	0.3
565.04681	11.7
566.05457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.2
59.01256	10.5
59.91549	1.9
63.02260	6.3
65.00191	15.5
69.03308	3.0
71.01247	7.1
71.73991	2.4
73.02801	3.0
83.01266	11.9
85.02808	3.2
87.00725	3.0
89.02299	2.4
93.03322	3.0
95.01267	7.5
97.02765	2.6
99.00766	2.2
107.01259	24.4
108.02078	5.5
109.02837	81.8
110.03169	4.9
111.00757	14.7
113.02307	4.8
119.04871	2.7
121.02815	6.9
123.00759	7.7
124.01550	4.7
125.02319	16.6
133.02864	10.9
134.03625	4.1
135.00754	4.5
135.04401	2.5
137.02342	15.5
139.00267	23.9
149.02338	6.0
151.00267	81.7
151.03920	3.4
152.01067	10.6
153.01836	100.0
153.03082	4.8
154.02199	2.8
159.04378	4.2
161.02330	8.7
163.00273	42.4
163.03917	3.6
164.01007	5.2
165.01805	8.3
165.05562	3.5
168.00575	3.2
169.01270	3.9
175.00294	14.9
175.03934	4.9
177.01813	11.3
178.99773	24.4
179.03278	2.3
181.01369	36.9
183.04440	3.0
185.02281	2.2
187.04021	4.0
190.02666	3.2
190.99785	12.6
192.00554	3.7
193.01334	7.7
193.04962	3.8
195.02943	3.2
199.04002	4.8
201.01881	6.1
203.03407	6.4
205.01376	3.6
205.04964	4.0
206.99300	27.7
207.99986	3.6
217.04851	2.3
227.03474	8.0
229.05048	5.0
230.02147	6.4
231.02847	6.0
243.02824	3.5
245.04549	18.7
255.02982	10.5
263.73831	2.2
269.04419	3.6
271.02347	10.2
271.05228	2.5
272.03229	4.5
273.04037	16.2
284.03235	25.1
285.04028	19.0
288.02219	2.5
293.24332	2.8
299.01971	19.3
300.02570	3.3
315.01541	3.8
316.02069	10.0
317.02988	74.1
318.03326	3.8
342.39743	2.4
343.15607	2.8
355.06665	3.0
361.16403	7.4
383.06311	6.1
385.07568	4.1
386.08719	5.8
386.88318	2.3
411.05722	13.2
477.10016	4.2
479.08008	4.9
503.08398	4.4
504.08963	2.5
505.20853	13.9
521.09314	44.7
522.09625	4.5
523.21997	5.0
546.10950	2.4
565.21613	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	563.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41678	0.3
55.01743	1.8
57.03321	4.3
58.00467	0.9
59.01247	100.0
60.01601	0.9
61.98701	0.8
67.01766	0.6
68.99687	0.3
69.03329	2.6
70.07113	1.4
70.83690	0.4
71.01251	22.8
71.04897	0.9
72.01605	0.4
72.99186	1.9
73.02814	7.3
74.03163	0.4
75.00758	1.3
78.95798	0.3
81.03349	0.8
82.95985	0.3
83.01257	6.6
83.04888	0.6
85.02818	15.8
85.06469	0.8
85.99977	0.6
87.00750	2.7
88.98610	0.3
89.02303	4.6
93.03326	3.4
93.06973	3.2
95.01258	2.4
95.04897	0.5
96.95892	0.6
97.02833	1.9
97.06460	0.5
99.00753	4.3
99.04424	0.6
101.02316	17.6
105.98972	0.3
107.04928	0.5
108.02050	1.7
109.02857	1.6
111.00749	2.5
111.04393	1.3
111.08068	0.7
112.01531	0.9
113.02325	11.9
114.02668	0.4
115.03886	0.4
117.03327	0.7
119.03396	0.9
119.04890	1.0
120.01128	0.7
121.02853	1.3
123.00720	0.9
123.04394	1.0
123.08057	0.4
124.01568	0.7
125.02319	3.2
129.01836	1.2
131.03447	0.6
132.02077	1.4
133.02855	1.4
134.03621	3.5
135.04424	2.4
135.08054	0.4
135.53529	0.3
137.02356	1.2
141.01825	0.7
143.03409	2.2
143.04449	0.6
143.10657	0.4
147.11711	0.8
149.02344	1.3
149.05965	0.9
151.00323	0.5
151.03931	1.0
152.01051	2.5
153.01828	1.2
153.05464	0.5
153.09120	0.5
155.03401	0.9
157.12267	0.7
159.02916	1.8
159.04292	0.6
160.00383	0.5
160.01584	5.1
160.05194	0.5
161.02283	0.9
161.04449	5.8
161.05789	0.4
163.03880	1.6
163.06073	0.7
164.04660	0.7
166.05008	0.4
167.03416	0.5
172.05176	1.8
173.04488	4.2
173.05856	0.5
175.00366	0.5
175.02417	0.3
175.03891	4.9
176.04579	0.4
177.01825	1.0
178.02606	0.5
179.03346	1.6
179.05637	0.5
181.15965	0.8
183.13838	0.5
186.06721	0.4
187.03952	1.1
190.02608	0.7
191.05528	10.0
192.05823	0.8
193.05002	4.9
194.05341	0.5
200.04768	0.4
201.05489	0.4
201.11057	0.3
202.06284	0.7
204.04243	0.4
205.03465	0.5
205.05095	0.6
205.06938	0.3
207.02922	0.4
209.15442	0.9
211.16956	0.7
217.05023	0.4
223.06117	0.7
227.03410	1.1
227.16476	0.6
228.04329	0.4
229.18028	10.7
230.18411	0.7
257.15479	0.5
269.04462	2.1
283.13385	9.6
284.13733	1.3
285.04074	0.6
301.07040	0.4
301.14261	3.2
302.14777	0.5
306.07553	1.0
309.14896	0.9
309.20789	0.3
311.13083	0.4
315.07513	0.5
319.17456	0.5
327.15903	1.9
337.09540	0.4
341.27029	1.3
345.13086	0.8
345.17038	8.5
346.17432	1.2
349.09341	0.4
353.06729	0.9
353.14072	0.5
359.28027	5.0
360.28268	0.6
371.14963	4.1
372.15295	0.7
373.22284	7.4
373.26614	0.7
374.22629	0.8
383.07565	0.6
387.16617	0.5
389.16068	0.5
391.23398	8.6
392.23685	0.9
431.22989	0.5
455.30228	0.5
467.30038	0.7
473.31393	0.7
485.31216	1.1
503.32230	70.9
504.32611	8.7
513.14325	0.7
521.33258	24.5
522.33606	3.4
529.13464	0.3
546.69135	0.3
563.14325	2.0
563.23499	2.6
563.33978	1.7
564.23846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	3.2
57.03320	10.4
58.00498	2.7
59.01251	100.0
61.98693	10.4
67.01765	4.3
69.03326	5.8
71.00887	4.7
71.01253	63.3
71.04902	3.5
72.99170	6.7
73.02816	17.7
75.00742	3.7
78.95773	3.8
83.01256	10.7
83.04901	3.5
84.02029	2.5
85.02824	41.8
87.00756	13.1
89.02317	19.7
93.03329	61.9
95.01255	6.8
96.95863	3.1
97.02811	3.8
98.19607	3.8
99.00770	7.5
101.02328	42.4
108.02065	3.8
109.02849	10.3
111.00723	2.9
111.04382	6.0
112.68406	2.7
113.02343	29.5
117.03339	2.8
119.03387	5.8
121.02845	7.0
124.01597	4.2
125.02316	8.7
127.68253	2.7
133.02814	7.1
134.03630	14.0
135.04405	26.7
137.02338	72.0
137.09689	3.2
141.04012	3.3
143.03423	3.1
145.02917	2.6
149.02341	5.6
149.99521	3.4
151.03925	7.5
152.01047	6.1
153.01793	5.0
155.03384	3.6
160.01566	4.6
161.02335	4.0
161.04457	33.7
163.03940	6.2
164.04651	4.8
171.10191	21.8
173.04485	23.7
174.03000	2.8
175.03920	8.8
176.01138	3.1
177.01759	2.9
178.02658	8.7
179.03363	7.8
179.05548	4.6
183.13811	4.9
187.07504	4.4
190.02679	3.9
191.03676	4.3
191.05530	73.9
193.04964	5.8
201.05534	4.8
203.06937	3.2
205.05110	4.0
205.08710	3.0
209.11781	2.9
211.13336	8.6
223.06093	4.6
229.08530	4.1
229.14359	5.2
233.08163	3.7
247.09825	6.3
253.09328	21.2
269.04520	8.1
285.04071	7.6
289.58658	3.0
308.09079	5.3
311.25809	4.6
327.15811	6.8
327.21744	63.9
328.21991	5.5
331.06711	3.0
339.12271	2.7
341.26904	32.3
345.16611	5.5
352.07974	7.7
353.06305	6.8
371.14865	15.4
383.07520	5.9
389.15982	7.2
396.69965	2.6
503.25659	4.2
503.32248	47.2
504.32483	5.4
545.20044	4.7
563.14313	16.1
563.20215	17.5
563.33459	11.8
564.21515	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62713	0.2
54.42650	0.2
55.01757	1.4
57.03323	4.6
58.00467	0.4
58.24599	0.3
59.01252	100.0
59.21070	0.3
60.01583	1.2
61.01662	0.3
63.02266	0.3
65.00200	0.6
65.23999	0.2
65.80988	0.2
67.01762	0.5
68.99706	0.6
69.03330	2.1
69.71783	1.7
71.01254	21.3
71.04893	0.5
72.01588	0.4
72.99184	1.3
73.02818	6.8
75.00761	0.9
76.12707	0.3
81.03320	0.4
83.01258	6.2
85.02825	13.7
85.06512	0.3
85.99982	0.6
86.03202	0.2
87.00751	2.5
89.02321	3.0
93.03330	1.4
95.01273	2.8
95.04892	0.3
96.95905	0.4
97.02839	2.3
97.06498	0.5
99.00761	3.3
99.04384	0.4
101.02324	13.1
105.03341	0.3
107.01287	1.5
107.04962	0.4
108.02070	1.1
109.02845	1.3
111.00782	1.8
111.04433	0.3
111.08024	0.7
112.01565	1.1
113.02336	10.5
114.02689	0.3
115.03873	0.4
119.03405	0.8
119.04904	0.4
121.02808	0.4
121.50301	0.3
123.00760	0.4
123.04375	0.6
124.01565	0.8
125.02364	2.9
125.09651	0.3
127.03928	0.5
127.11205	2.0
129.01833	0.6
131.01268	0.3
132.02071	0.8
133.02849	0.8
134.03638	1.9
134.05992	0.2
135.04434	0.4
137.02345	3.1
137.09608	3.2
141.01811	0.3
143.03403	2.4
145.06485	0.8
147.04411	0.4
149.02353	0.9
149.06055	0.3
151.00261	2.5
151.03937	0.5
152.01083	1.4
153.01831	0.9
153.12762	1.3
155.03563	0.3
155.10704	4.6
157.12233	2.0
159.02904	1.1
160.01584	3.7
161.01999	1.4
161.04459	2.5
163.03918	0.4
164.01155	0.3
164.04703	0.5
165.12735	0.5
167.03419	1.1
167.04698	0.3
169.06555	0.5
169.12317	0.4
171.04428	1.4
171.10262	0.6
173.04474	0.7
173.05881	0.3
173.11772	0.4
175.00269	0.8
175.03900	3.4
176.04308	0.6
177.01877	0.9
177.04518	0.5
179.03516	0.5
179.05452	0.3
183.08110	0.5
183.13852	0.8
185.00879	0.3
187.07527	0.4
190.01126	0.3
190.02637	1.6
191.03465	0.3
191.05571	1.3
193.04979	2.1
194.05344	0.6
201.14885	5.2
205.05000	1.2
205.09169	0.3
209.11876	0.3
211.07552	1.3
211.13191	0.4
213.05583	1.0
217.05011	1.1
217.14543	0.3
218.05482	0.4
219.05556	0.6
222.25586	0.3
223.06096	1.1
227.07170	0.4
229.14439	0.8
229.17992	0.6
230.15186	2.8
231.15860	0.3
235.06081	0.5
250.01405	0.3
253.09261	0.6
255.06601	28.3
256.06937	2.6
265.10724	0.3
269.08020	0.4
279.06723	1.6
280.07040	0.4
295.11557	0.3
297.07657	0.8
301.16824	0.5
313.23813	0.4
315.07364	0.5
315.18076	0.3
327.21817	1.7
330.16409	0.3
333.19199	0.3
335.17191	0.7
341.27039	1.8
353.45877	0.3
357.26465	1.0
359.28024	15.8
360.28488	1.6
373.22131	0.7
383.27802	0.4
389.16040	0.3
391.23383	0.4
401.29007	0.5
410.92645	0.3
413.29153	0.3
455.30347	1.5
457.89282	0.3
465.35840	0.3
467.29962	0.8
467.36572	0.3
468.29807	0.3
473.30948	1.3
485.31149	1.0
503.32266	88.3
504.32620	12.9
521.33313	31.6
522.33551	4.8
545.33295	2.0
546.33484	0.4
563.16522	1.3
563.24298	1.1
563.34186	1.5
564.17950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22379	0.4
55.01756	1.0
57.03312	3.3
58.00471	1.0
59.01247	47.2
60.01580	0.7
61.98694	1.2
65.54520	0.4
67.01788	0.5
69.03326	3.0
71.01250	19.2
71.04892	0.8
72.99184	2.0
73.02807	4.0
75.00739	1.4
80.99521	0.5
81.03320	0.9
83.01250	3.3
83.02381	0.5
83.04897	1.0
84.02007	0.6
85.02817	18.2
87.00282	0.4
87.00740	2.4
89.02310	9.8
93.03323	5.2
95.01268	2.5
95.04882	0.6
96.95876	1.9
97.02836	1.9
97.06467	3.6
98.19806	0.9
99.00740	2.3
101.02317	14.9
106.06509	0.7
107.01258	1.0
108.02048	3.7
109.02872	1.9
111.00775	1.0
111.08052	0.5
113.02328	10.3
115.91884	0.6
116.92723	0.7
117.03325	0.8
119.03369	3.1
119.04889	1.2
119.08529	0.8
121.02820	1.0
121.10102	0.4
123.00740	0.6
123.04401	0.8
123.08049	0.4
124.01527	0.4
125.02315	1.8
125.09597	1.1
126.02516	0.4
127.11161	1.9
129.01859	0.5
131.03404	0.6
131.70909	0.4
132.02090	3.3
133.02870	2.1
133.06432	1.2
134.03633	10.1
135.04422	2.2
136.03879	0.8
137.02333	12.9
137.09583	2.6
143.03427	1.6
145.02888	0.6
149.02316	1.2
149.05957	1.3
151.00281	2.1
152.01039	4.4
153.01857	2.1
155.10664	1.3
159.02849	0.7
160.01559	16.7
161.02402	2.8
161.04440	6.5
163.03877	0.9
163.11183	1.2
164.04642	1.2
165.12648	0.5
167.03406	0.8
167.14297	0.8
168.00560	0.6
171.10172	25.0
172.10541	1.2
173.04456	1.4
175.00284	0.9
175.03903	18.5
176.00999	0.4
176.04288	0.7
177.01839	1.2
177.05516	2.0
177.12848	0.7
178.02658	0.7
179.03333	0.8
179.05508	1.7
179.06950	0.6
181.12236	0.7
183.13803	2.5
185.11736	1.4
186.06776	0.5
190.02611	1.9
191.03598	0.7
191.05542	5.1
193.04950	9.3
193.12180	1.1
194.05310	0.9
195.06534	0.4
201.11301	1.3
201.14882	1.7
205.05045	1.7
207.10023	0.9
209.11745	1.2
211.13310	14.1
212.13695	0.9
215.03481	0.6
221.11800	2.0
223.06107	0.8
227.03372	0.6
229.14392	11.1
229.18030	1.1
235.05957	0.4
239.12849	1.6
253.05383	2.8
253.09244	34.1
254.05525	2.1
254.09570	1.3
255.06573	3.3
267.07175	0.6
269.04523	1.6
283.13388	1.2
285.03937	0.8
291.19693	3.2
292.19727	0.5
295.06171	0.5
297.07867	0.7
301.14413	0.5
309.20685	1.7
315.07367	0.5
327.21732	100.0
328.22113	8.1
333.19601	0.4
341.26743	0.8
343.07715	0.4
345.17136	1.2
350.07010	0.8
353.06430	1.0
359.27960	1.9
363.08704	0.7
364.09021	1.0
365.09433	1.0
371.14917	1.9
383.07343	1.0
387.16620	13.2
388.16739	1.1
485.31046	1.3
503.32211	17.8
504.32547	1.7
521.33276	6.1
522.33301	1.1
563.15417	2.8
563.25317	5.6
563.31799	1.0
564.17163	0.8
564.25281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.25
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49288	0.4
55.01743	0.7
57.03318	1.0
57.78586	0.5
59.01248	10.8
61.98696	0.8
69.46928	0.9
69.47325	3.9
71.01254	6.3
72.07888	0.5
73.02814	1.2
74.74578	0.5
83.01269	0.9
85.02816	2.4
87.00790	0.5
89.02306	2.4
89.03829	0.8
93.03356	0.6
95.01231	0.9
98.20552	0.8
99.00776	0.8
101.02308	3.5
108.02041	0.7
109.02852	0.7
113.02353	2.5
117.03307	2.3
119.03404	0.5
119.04910	0.7
121.02821	0.6
132.02065	18.3
133.02904	2.7
134.03630	45.6
135.04349	1.8
137.02307	0.6
147.04407	1.0
149.02350	0.6
149.05994	5.5
151.00327	0.4
152.01094	0.7
153.01909	0.6
156.00525	0.5
160.01569	83.8
161.01958	3.9
161.04468	0.7
164.04660	0.5
175.03918	100.0
176.04233	4.9
177.01891	0.8
178.02605	0.8
179.03401	1.3
190.02612	1.0
191.05563	0.8
193.04993	55.0
194.05299	4.3
195.05299	0.5
205.04930	1.6
223.06038	0.8
225.06628	0.6
225.14938	1.9
235.06148	0.5
269.04453	0.5
337.09354	0.5
362.65695	0.5
369.10928	0.8
387.20279	1.7
503.32291	3.0
521.32953	0.9
563.25012	55.3
564.25323	8.6
593.92316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73115	7.9
59.01247	82.7
59.47588	7.5
61.70559	6.8
61.98674	9.0
67.66416	7.1
71.01258	15.8
71.58417	12.0
96.95876	12.5
101.02280	9.0
122.15479	6.9
124.48529	7.7
125.72324	7.6
133.90729	7.4
169.76823	8.0
187.19444	8.0
191.09065	9.4
198.07664	8.3
224.17438	8.7
247.56429	8.1
253.09123	16.7
269.04459	20.6
274.08777	9.4
291.19684	100.0
353.06732	19.9
383.07632	17.6
443.09766	9.6
527.28900	38.4
563.14209	48.0
563.26770	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	563.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96054	3.8
59.01245	33.3
61.98699	6.5
70.73725	12.8
71.01239	5.9
79.45686	4.4
85.02829	4.3
99.00715	4.8
101.02338	4.4
113.02272	4.8
135.33485	4.0
175.00314	4.8
190.02621	10.3
205.04979	7.4
253.09344	21.0
269.04327	7.9
280.20474	4.5
291.19620	100.0
292.19955	9.5
297.07690	9.7
329.15668	5.5
351.22321	5.9
353.06583	13.0
383.07559	9.1
437.26401	4.8
517.01270	4.7
527.28619	30.5
563.14001	30.4
563.24738	6.1
564.14551	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	563.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.3
57.03309	1.2
58.00453	0.4
59.01247	13.8
61.98696	0.3
69.35693	2.4
71.01248	5.8
72.99162	0.7
73.02822	1.1
75.00730	0.3
83.01248	1.3
85.02825	3.3
87.00761	1.0
89.02304	2.1
89.03822	0.3
93.03331	1.5
95.01239	0.5
98.20602	0.6
99.00745	0.8
101.02328	3.3
105.03367	0.4
106.04171	0.4
108.02065	0.5
113.02332	2.9
117.03324	2.7
119.03391	0.5
119.04889	0.6
121.02827	1.1
125.02361	0.4
132.02058	20.2
133.02888	2.6
134.03621	52.3
135.03897	2.3
137.02342	2.0
147.04424	0.7
149.02327	0.3
149.05972	6.3
150.06656	0.3
152.01068	0.4
152.08360	0.3
160.01558	88.9
161.01900	4.6
161.04538	0.4
171.13762	0.4
175.03911	100.0
176.04262	5.6
177.01820	0.9
177.05386	0.4
178.02667	0.5
190.02605	0.3
191.05440	0.6
193.04977	70.1
194.05333	4.2
207.13995	0.3
209.06033	0.3
209.57043	0.3
214.49020	0.3
225.14948	1.2
227.07088	1.3
232.52817	0.3
244.44580	0.3
285.04086	0.5
327.21762	0.4
333.18909	0.4
342.76535	0.3
345.17099	0.4
359.28015	0.5
369.18942	0.5
387.20175	1.3
388.20435	0.3
426.78998	0.3
480.92581	0.3
502.31131	0.4
503.31992	3.9
504.32327	0.8
519.26202	0.4
521.33252	2.0
563.24921	58.8
564.16748	0.6
564.25293	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	563.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85308	0.4
55.01748	1.5
57.03322	3.4
58.00471	0.9
58.11097	0.4
59.01250	51.4
60.01574	0.9
61.98693	1.9
63.38665	0.5
69.03321	1.4
69.70789	3.2
71.01250	18.7
71.04875	0.9
72.99172	1.6
73.02813	4.3
75.00733	0.6
81.03333	0.7
83.01262	2.9
83.04890	0.7
85.02331	0.9
85.02821	12.2
87.00765	2.7
89.02313	8.1
93.03330	26.3
94.03655	1.0
95.01241	2.7
95.04942	0.6
96.95905	0.9
97.02831	1.3
97.06477	1.5
99.00772	2.5
101.02322	12.6
105.03333	1.0
107.04893	0.8
108.02061	1.7
109.02840	1.8
109.06506	0.5
111.00755	1.0
111.04444	0.6
111.08018	0.4
112.03948	1.1
113.02325	8.8
117.03341	2.2
119.03373	2.0
119.04878	1.0
121.10101	0.7
123.04369	1.2
125.02332	2.0
127.11117	0.6
129.01822	0.8
132.02061	19.9
133.02863	5.4
134.03629	48.3
135.04312	1.7
136.01570	0.6
137.02336	61.1
137.09636	1.3
138.02657	2.5
139.04019	0.5
143.03418	1.3
147.04448	0.6
149.02371	1.2
149.05949	5.9
151.00291	0.6
151.03903	0.8
152.01027	1.7
153.01859	1.6
155.10661	0.6
160.01567	86.2
161.02110	4.8
161.04443	4.3
163.03960	0.8
163.11182	3.6
164.04684	0.7
165.05453	0.6
165.12816	0.6
167.03427	2.0
167.14357	0.5
171.10187	4.2
173.04509	1.5
175.03925	100.0
176.04274	4.5
177.01865	2.0
177.05492	0.5
177.12762	0.6
178.02687	0.4
179.03435	1.5
179.05545	0.7
183.13828	1.8
184.02429	0.4
191.05577	3.0
193.04993	57.0
194.05350	2.9
197.15337	0.7
201.14946	0.7
205.05090	0.7
209.11824	0.5
211.13327	4.9
221.11760	0.9
223.06122	0.8
224.04762	0.5
225.14963	1.3
229.14381	4.2
235.02328	0.6
235.06058	0.7
237.07776	0.6
239.12830	0.8
243.19586	0.7
253.05234	0.6
253.09250	10.3
269.04514	1.4
270.05066	0.6
285.03995	0.9
285.07629	1.0
291.19678	1.5
309.14914	0.9
325.06738	0.5
327.21744	30.4
328.22015	2.4
341.27075	0.8
353.06860	0.6
359.28116	3.7
371.15091	1.8
387.16501	11.3
388.16901	0.7
401.18268	6.3
402.18756	1.0
485.31711	0.7
500.93597	0.6
503.32214	20.5
504.32736	2.0
521.33392	6.8
522.33575	0.8
563.15210	2.1
563.24988	58.7
564.25464	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	563.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90158	0.4
57.03302	1.4
59.01252	12.5
69.03323	0.4
69.94180	1.0
69.94593	1.8
71.01256	5.8
73.02821	1.4
75.00739	1.0
81.03292	0.5
83.01270	1.2
83.04906	0.6
84.39177	0.4
85.02833	3.9
87.00762	1.1
89.02330	2.6
89.03868	0.5
93.03339	2.1
95.01276	0.6
99.00749	0.9
101.02341	3.6
108.02042	1.0
109.02843	1.6
110.64881	0.5
111.04408	0.6
113.02336	3.1
117.03393	3.0
119.03419	0.9
119.04912	0.5
121.02823	0.7
124.01536	0.7
125.02355	1.6
132.02072	22.9
133.02890	3.1
134.03636	54.9
135.04102	1.7
136.01620	0.6
137.02356	3.1
137.09604	0.7
147.04466	0.7
147.66182	0.4
149.02287	0.5
149.06003	6.3
150.03020	0.5
152.01096	0.8
153.01880	2.2
160.01575	97.4
161.01918	4.3
161.04558	0.6
163.03923	0.7
168.00519	0.8
171.10233	1.1
173.04488	1.5
175.03926	100.0
176.04292	4.6
177.01875	0.6
178.02620	1.3
179.03374	0.7
181.66768	0.5
190.02713	0.7
191.05508	2.2
193.04996	73.2
194.05327	3.5
205.04933	0.8
207.44522	0.5
211.13426	0.6
223.06113	0.6
225.14867	1.4
227.07115	1.1
253.09422	0.7
269.04672	0.7
285.03922	0.9
327.16199	0.8
327.21750	2.4
345.17145	0.9
353.06744	0.9
373.39560	0.5
383.07947	0.8
387.20166	1.5
503.32474	2.1
521.33386	0.8
563.25031	60.4
564.25415	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	563.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.2
55.94264	0.9
57.03320	3.2
58.00463	2.3
58.48586	0.9
59.01249	87.8
61.98694	3.4
69.03329	3.4
69.39886	3.6
69.40311	6.0
71.01245	33.0
72.64228	1.1
72.99174	4.9
73.02810	10.3
73.03127	1.0
75.00745	3.6
80.91556	4.1
83.01266	4.3
84.43697	1.1
85.02815	18.9
86.00010	1.0
87.00745	5.9
89.02315	22.5
89.03859	1.0
92.86402	0.9
93.03336	4.6
95.01243	2.6
96.95876	2.0
97.02834	1.4
99.00735	3.1
101.02319	25.7
103.03885	4.2
107.01311	1.2
108.02044	9.1
109.02811	5.1
109.89312	1.0
111.00748	2.1
113.02329	12.5
115.00234	1.0
115.03881	2.6
117.03337	4.7
119.03371	7.5
119.04877	1.8
121.02843	2.3
122.63327	1.0
125.02346	2.9
129.01805	1.9
131.03381	3.7
132.02055	16.6
133.02864	6.8
133.04951	1.3
134.03629	37.5
135.04449	6.8
137.02344	3.7
143.03416	5.9
149.02342	3.9
149.05952	5.0
151.00266	2.4
151.07599	1.1
152.01039	12.4
153.01927	7.0
160.01569	69.7
161.02350	13.2
161.04460	3.3
162.02864	1.5
163.03908	1.8
163.06032	14.2
163.11198	5.0
164.04680	2.5
165.05435	1.7
167.03413	1.7
173.04453	3.8
175.00317	2.4
175.03918	76.7
176.01050	1.2
176.04276	3.0
177.01826	8.7
179.03416	3.0
179.07086	1.6
187.03964	1.3
190.02625	8.9
191.03418	3.4
191.05518	10.0
191.06989	1.8
193.01262	1.3
193.05000	31.2
205.05006	6.9
205.07083	7.2
207.10167	9.1
217.04964	3.5
223.06139	2.1
235.06007	2.3
269.04514	6.2
271.02536	2.0
272.03278	1.2
283.02264	1.3
283.13205	1.5
284.03217	5.6
285.03912	1.5
295.05942	1.5
297.07513	1.4
299.01950	3.3
299.05600	9.4
300.02722	2.7
300.05942	2.3
301.03473	1.1
315.05032	7.7
327.16025	2.8
331.06921	1.6
341.13882	1.4
345.17038	2.2
353.06589	2.9
357.08014	1.1
367.10352	1.6
369.15662	3.3
371.14984	1.6
387.16577	100.0
388.16956	10.4
392.25031	1.3
401.18146	1.8
417.25195	1.3
503.32217	10.8
504.09183	1.1
519.11310	5.2
519.18750	2.8
521.33167	3.1
555.52246	1.3
563.13947	10.5
563.24591	36.2
564.14258	1.8
564.26025	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36657	1.6
57.03316	4.1
58.00452	2.1
59.01251	100.0
67.01743	2.9
69.03328	2.8
70.94070	1.3
70.99522	4.3
71.01254	52.2
72.77037	1.4
72.99166	4.2
73.02820	43.7
75.00746	4.8
76.27744	1.6
79.05421	1.5
81.03331	2.3
83.01265	16.8
85.02833	21.7
87.00757	7.6
89.02315	17.5
93.03345	10.0
95.01249	4.5
95.69374	1.6
96.95889	5.0
97.02828	4.7
99.00780	2.7
101.01688	3.0
101.02319	40.7
101.22313	1.7
102.02607	2.0
107.01265	2.6
107.04852	2.8
108.02070	15.1
109.02844	7.0
111.04341	3.2
113.02341	20.9
117.03345	3.9
118.56602	1.5
119.03392	4.4
119.04908	2.1
121.02832	3.9
123.00800	2.1
123.04411	5.0
125.02318	4.3
127.07516	3.4
129.01826	3.1
131.03439	4.1
132.02068	5.0
133.02783	5.1
133.03842	1.4
133.04933	2.2
134.03633	19.4
135.04396	5.0
137.02415	7.5
143.03416	3.5
145.02863	5.2
146.50414	1.5
147.04388	2.4
148.01578	1.8
149.02361	8.2
149.04437	3.1
149.05989	3.6
151.00262	3.4
151.03860	5.1
152.01053	20.9
153.01851	8.3
155.03360	2.2
159.04512	1.9
160.01572	21.9
161.02394	10.4
161.04440	9.6
161.05659	1.8
163.03920	2.1
164.04678	3.7
165.01820	2.1
165.05458	2.3
167.03366	2.4
168.00584	2.2
171.04510	1.7
171.06517	2.0
173.04446	5.9
175.00305	4.4
175.02505	2.3
175.03918	20.7
176.00966	1.8
177.01817	4.1
177.05429	1.7
179.03397	5.4
181.08633	1.6
190.02605	8.6
191.03654	3.2
191.05519	15.9
192.05911	4.7
193.04884	13.1
195.04715	1.8
205.05138	8.6
223.06078	4.9
238.06447	3.2
239.10820	1.8
240.04236	1.5
241.08638	2.3
243.02863	2.1
255.02910	4.3
255.10205	5.0
266.05881	3.3
269.04529	15.2
269.11560	1.6
270.05164	3.7
270.12399	2.2
271.02481	11.4
281.08075	2.8
282.08746	2.8
283.09695	23.7
284.03311	2.5
285.04074	6.7
285.07700	3.3
295.09595	4.5
296.10376	1.8
297.07883	2.1
297.11130	2.0
298.12143	2.4
300.02817	10.6
301.03461	6.4
311.09241	48.4
311.12787	3.7
312.09485	2.6
325.10788	5.5
326.11557	25.1
327.11975	4.3
329.13815	2.0
341.10236	3.4
341.13931	54.8
342.14258	7.1
353.06653	5.7
371.10699	2.0
383.07169	2.0
387.13010	11.4
463.08780	16.1
464.09238	2.8
470.15576	1.7
473.18286	4.5
485.18231	8.1
491.19302	6.2
503.19247	12.4
503.32019	4.1
533.20374	11.5
545.20355	6.2
563.13629	25.4
563.25464	8.6
564.14594	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.9
57.03320	1.7
58.00469	1.4
59.01249	100.0
60.01577	1.1
69.03326	2.8
71.01251	56.0
72.01603	0.8
72.99194	2.4
73.02814	56.9
74.03166	0.9
74.15201	0.7
75.00749	1.9
83.01257	17.4
85.02820	12.8
87.00739	4.0
89.02316	20.8
93.03366	1.5
95.01282	2.6
96.95880	0.9
97.02823	1.1
97.15215	0.7
99.00764	1.9
99.04391	1.0
101.02317	60.7
102.02664	0.7
106.48399	0.7
108.02046	3.5
109.02824	3.8
111.00765	1.2
113.02327	33.3
114.02684	0.8
115.76080	0.7
119.03387	7.1
121.02860	3.8
122.03648	1.5
123.04407	4.1
123.62218	0.7
125.02357	2.8
129.01790	0.8
131.03413	5.0
133.02808	0.8
134.91359	0.7
135.04425	1.6
137.02322	1.2
143.03395	5.6
149.02412	1.2
149.04446	5.5
149.06058	0.6
152.01093	2.4
153.01787	0.9
155.03395	1.8
159.04451	5.4
160.05200	11.2
161.02397	1.2
161.04489	14.0
161.05949	2.8
164.04741	1.1
169.20107	0.6
171.04391	0.9
172.05203	5.6
173.04610	1.0
173.05925	3.9
174.03098	1.0
174.06902	0.7
175.03941	1.8
175.07510	5.0
177.01836	0.8
179.05559	3.6
187.07607	2.6
189.05466	9.2
190.06276	13.0
203.07059	0.9
204.07909	1.1
205.08641	12.8
221.06583	2.0
255.02994	0.9
269.04453	6.0
271.02390	2.4
281.08279	2.9
284.03247	1.1
285.04059	5.7
295.09845	1.1
296.10510	7.4
300.02805	1.6
311.12851	10.6
315.05106	1.0
323.05698	1.0
326.11725	1.2
329.14050	2.7
341.13904	56.6
342.14304	4.9
343.97760	0.8
413.08612	1.1
447.09360	1.2
503.19220	17.6
503.26358	1.2
504.19687	2.3
519.12054	1.0
521.20288	4.0
563.14154	5.5
563.20184	1.2
563.22015	1.6
564.14429	1.3
580.42004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34415	0.4
54.91072	0.4
55.01765	0.8
57.03313	1.8
59.01247	100.0
60.01588	0.9
61.98692	1.6
67.01769	0.5
68.99697	0.7
69.03339	1.2
69.70168	3.1
70.57156	0.5
71.01249	8.6
71.04901	0.6
72.99191	1.2
73.02804	3.0
75.00751	2.1
78.95801	0.6
83.01271	1.8
83.04877	0.7
85.02817	6.4
87.00755	2.2
89.02325	2.4
93.03325	4.9
95.01287	1.4
97.02838	0.6
97.06474	0.8
99.00767	1.2
101.02303	4.3
108.02065	1.9
108.45300	0.6
109.02849	2.3
111.00793	1.0
111.04367	0.6
113.02335	3.8
119.03363	0.7
119.04951	1.3
121.02810	2.6
123.00803	0.6
123.04432	0.9
124.01579	0.8
125.02350	2.1
132.02068	3.6
133.02859	2.4
134.03625	12.5
135.00830	1.2
135.04462	2.7
137.02333	4.9
147.04399	0.6
149.02356	0.9
149.05969	2.3
150.03111	0.5
151.03900	0.9
152.01060	2.9
153.01796	1.4
159.04456	2.1
160.00230	0.8
160.01553	16.5
161.02213	1.6
161.04498	1.2
163.03929	1.2
165.12778	0.9
168.00566	1.2
171.10208	1.8
173.04466	3.9
175.03911	19.6
176.04333	0.8
177.01865	1.6
178.02734	0.5
179.03368	1.2
183.13893	1.5
187.07602	0.7
188.73544	0.6
190.02675	1.3
191.01910	0.6
191.05525	4.2
193.04980	11.6
205.04985	0.8
207.10228	0.5
211.13387	2.0
214.06339	0.6
215.07205	0.5
225.88754	0.5
227.12881	0.6
229.14461	0.9
237.09235	0.9
243.06613	1.5
249.06107	1.3
253.09207	1.9
256.50684	0.5
263.07129	0.9
265.08707	1.6
269.04544	1.4
280.11182	0.6
281.08142	7.0
285.04044	1.7
293.08212	4.8
296.10501	10.5
297.07864	0.5
297.10904	0.7
308.10556	5.0
311.12854	33.4
312.13177	2.7
315.07101	0.6
323.12869	16.9
323.16568	1.1
324.13345	1.9
327.21698	4.6
328.22281	0.8
331.06744	0.7
341.14423	0.5
345.17188	1.4
353.06628	1.1
359.28091	0.8
371.15256	0.7
383.07678	1.1
383.12552	0.6
387.09351	0.8
389.16132	0.9
425.10941	0.8
429.25153	0.5
461.31201	0.5
471.26126	0.6
503.32324	4.0
521.33575	1.3
534.84259	0.6
545.33063	0.6
562.76123	0.8
563.14233	3.2
563.24829	11.3
563.34302	5.4
564.25189	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.1
57.03321	2.6
58.76802	0.6
59.01249	28.6
63.02261	1.6
65.00213	0.8
69.03315	1.4
69.77512	3.3
69.77934	1.2
71.01254	21.7
72.99175	1.7
73.02818	4.5
75.00753	1.0
83.01246	3.3
85.02820	11.9
86.56596	0.7
87.00761	2.1
87.40617	0.7
89.02317	15.2
91.01742	0.9
93.03341	3.0
94.93245	0.7
95.01270	3.9
96.95893	1.6
97.02880	0.8
99.00744	2.0
101.02322	6.5
105.03383	1.0
107.01266	1.3
108.02058	2.2
109.02839	5.0
111.00787	1.3
113.02324	18.1
114.02664	0.9
117.03358	4.5
118.97694	0.8
119.01282	2.1
119.03387	2.5
119.04934	1.3
121.02824	5.4
123.00757	1.3
123.04401	1.8
125.02321	1.6
132.02072	2.6
133.02885	1.3
133.04927	1.5
134.03654	7.6
135.04422	4.2
135.05263	0.8
137.02405	3.5
143.03365	1.3
147.00790	1.7
147.04419	2.8
148.01619	1.0
149.02351	24.1
149.05965	1.4
150.03084	3.2
151.00275	1.0
151.03894	2.3
152.01089	3.7
153.01868	0.8
159.04430	2.3
160.01584	7.1
161.02373	3.7
161.04463	2.6
161.05908	0.7
161.09645	1.3
162.03128	27.1
163.03902	4.7
164.04706	18.2
165.01743	1.2
165.05368	2.8
169.06563	0.9
172.05276	0.8
173.02174	0.7
173.04477	0.8
173.06001	1.8
175.00298	13.2
175.03847	5.8
176.01062	4.5
176.04715	1.5
177.01930	4.7
177.05481	34.4
178.05855	2.0
179.03444	1.3
179.05598	1.2
179.07060	2.6
180.04166	0.8
185.00804	0.8
187.07552	1.1
188.04778	1.1
189.01791	1.4
189.05522	1.2
190.02649	31.2
191.03343	6.6
191.05350	1.3
191.07072	1.9
192.04236	3.9
193.01353	1.4
193.04979	6.9
194.02097	0.7
201.05316	0.8
203.03351	0.8
203.06963	0.9
204.04143	1.1
205.05016	20.7
206.05757	5.0
207.02998	1.4
207.06546	6.6
208.03748	2.3
208.25420	0.8
209.04468	1.6
217.01538	1.0
217.05048	3.1
221.08112	4.9
222.05289	0.9
223.06076	23.2
224.06514	1.5
225.05615	1.7
232.03687	1.9
233.04488	6.3
233.08093	1.4
235.06113	3.1
237.07625	3.2
241.05087	2.7
247.06084	22.1
250.04762	1.0
251.05574	1.2
253.05046	0.8
255.06628	0.9
265.07159	16.9
266.07281	0.9
267.07001	0.9
268.03738	8.5
269.04544	100.0
270.04892	8.7
283.09650	0.9
285.04044	1.2
295.09659	2.4
299.09143	1.1
311.09323	2.7
313.11005	3.2
324.08719	0.8
325.09372	1.6
326.11588	2.5
329.10266	0.8
329.13965	1.5
339.10901	2.6
341.13895	2.8
344.12500	5.4
353.06769	1.4
357.08237	0.9
359.14981	13.3
360.15366	1.3
367.10468	2.1
379.69534	0.8
383.07724	2.5
385.11383	4.1
387.20258	2.4
389.16122	0.9
413.08469	0.9
473.10562	1.3
503.19232	33.5
504.19501	3.3
510.88687	0.7
521.20251	17.4
522.20752	1.7
545.12915	1.3
563.13324	16.0
564.14227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
57.03326	2.0
58.00448	0.7
59.01247	65.1
60.01579	1.3
65.03820	1.4
69.03320	1.9
71.01250	21.2
71.01608	1.5
72.99197	2.7
73.02811	7.7
75.00754	1.5
81.03342	1.0
83.01266	3.6
85.02818	10.6
87.00754	3.6
89.02308	10.5
93.03329	90.4
94.03694	2.1
95.01274	2.7
96.95922	1.2
97.02843	2.0
99.00759	10.3
101.02319	11.1
107.04906	3.4
108.02074	2.8
109.02837	1.8
111.00816	0.9
111.04478	0.8
113.02316	18.5
117.03287	1.6
117.05473	1.1
119.03394	1.8
119.04903	0.9
121.02840	44.1
122.03184	1.6
123.04436	1.1
125.02342	2.8
129.01852	1.0
131.03409	1.6
132.02048	14.3
132.02969	1.2
133.02847	4.1
134.03627	33.8
135.04420	1.8
136.01544	1.4
137.02336	73.9
138.02675	2.7
143.03372	1.9
149.02348	1.5
149.04655	0.7
149.05974	4.1
150.05493	1.1
151.03922	2.0
152.01019	1.2
154.01411	0.8
160.01563	58.0
161.02255	3.0
161.04521	2.6
163.03868	1.4
171.10239	1.3
173.04472	2.2
174.19731	0.7
175.03912	65.1
176.04283	2.3
177.01872	1.6
178.02635	1.8
179.03433	2.6
187.11014	0.9
190.02655	2.6
191.03738	1.3
191.05603	4.3
193.04987	42.6
194.05499	1.5
197.06007	11.6
198.06320	1.2
199.07561	6.2
201.31900	0.8
205.05063	3.1
209.06111	1.1
211.13397	1.7
223.06171	1.5
227.07068	100.0
228.07373	6.3
253.09306	1.4
263.05563	1.0
269.04517	1.9
271.22696	1.1
281.06644	8.6
323.07794	2.4
327.16013	1.2
327.21881	3.1
345.17123	1.3
358.26727	1.1
359.27884	1.8
369.11987	2.9
395.10260	2.3
401.18283	1.5
413.10895	13.2
455.11935	25.0
456.12125	1.8
502.31155	2.9
503.32101	10.1
520.32111	1.7
521.16565	4.9
521.33167	3.7
562.76605	1.2
563.17975	2.0
563.25140	41.9
564.25092	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	563.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63250	4.0
55.01740	3.9
59.01244	5.3
69.75361	8.4
69.75771	15.9
69.76955	3.1
71.01244	4.4
73.02799	6.1
83.01270	4.0
85.02814	6.5
87.00739	60.1
95.01234	9.1
98.19728	4.1
99.00730	8.4
111.00765	9.3
112.98659	12.4
123.00738	11.6
123.69013	3.4
138.03108	9.4
139.06209	3.2
142.99728	11.2
153.05525	18.1
161.02344	15.1
163.03876	11.7
164.04657	7.2
165.05370	4.5
166.02560	7.5
173.00842	48.3
174.01549	11.7
176.04637	15.8
178.06279	20.2
179.03426	19.4
179.07016	14.4
181.04999	10.7
191.03455	12.8
191.06998	8.4
193.08621	23.0
194.05763	32.9
197.02031	3.5
203.03424	10.6
205.04999	9.2
206.05734	14.1
209.08153	35.9
218.05698	4.2
219.02931	4.7
221.08102	15.4
229.01216	4.4
234.05310	8.4
243.93317	3.9
246.05476	4.8
247.02467	14.5
247.05988	5.5
249.07573	17.9
261.03867	6.9
262.04855	27.6
265.07001	20.3
276.06235	7.9
277.07144	67.3
291.08624	4.2
337.09244	49.4
338.09866	6.0
399.80438	3.7
563.16083	100.0
564.16388	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	563.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03326	0.6
59.01250	4.1
63.02279	1.0
65.00212	1.0
68.13118	0.2
68.99683	0.2
69.80495	0.2
71.01254	4.0
71.39209	0.6
72.99193	0.3
73.02827	0.9
83.01257	1.3
85.02824	2.9
87.00758	0.9
89.02318	8.0
92.66032	0.3
93.03366	0.6
95.01274	0.7
96.95904	0.4
99.00765	0.3
101.02323	2.0
105.03365	0.5
107.01294	1.4
108.02070	0.7
109.02832	1.4
113.02325	2.2
117.03323	0.4
119.03371	0.6
121.02836	0.6
121.66063	0.2
123.04443	0.4
125.02298	0.5
128.03432	0.3
129.01808	0.6
132.02113	0.4
133.02850	4.7
133.04955	2.1
134.03665	1.6
135.00739	0.3
135.04420	0.8
137.02357	0.4
145.02885	0.4
147.04457	0.2
148.01578	0.3
149.02367	1.7
149.06071	0.3
151.00276	3.7
151.03896	0.4
152.01013	0.9
153.01877	0.3
159.04431	0.2
160.01576	0.9
161.02379	1.4
161.04453	0.5
163.03905	0.4
169.01277	0.3
171.04536	0.3
173.04555	0.6
173.05934	0.4
174.03107	0.3
175.02573	0.4
175.03931	2.2
177.01880	0.7
179.03358	0.4
179.05678	0.3
183.10194	0.4
185.05968	0.6
187.03857	0.3
189.05489	0.7
190.02570	0.4
190.06331	0.3
191.05533	0.6
193.03583	0.2
193.04990	1.8
197.06056	0.4
199.03874	1.3
200.04538	0.5
201.01851	0.7
203.03398	0.3
205.08762	0.3
211.03972	0.7
213.05536	0.3
215.03482	0.5
217.04999	1.1
225.15001	0.4
227.03455	0.7
229.04997	0.3
239.03471	0.4
240.04164	0.5
241.05020	0.4
243.02864	0.4
248.20512	0.2
255.02933	1.2
256.03720	1.8
257.04575	0.6
268.03827	1.0
269.04550	4.2
270.04880	0.4
281.08426	0.3
284.03253	22.9
285.04022	100.0
286.04416	7.6
296.10815	0.3
297.04108	0.3
300.02658	0.4
315.01614	0.3
323.05597	0.4
327.04977	0.7
341.14020	2.1
353.06531	0.4
383.07498	0.5
387.15216	0.4
387.20242	5.6
388.20560	0.4
413.08752	0.4
429.08249	1.1
447.09296	10.9
448.09842	1.4
459.22256	0.2
503.19290	1.2
519.11475	19.7
520.11957	2.1
563.13971	22.6
563.21545	0.8
564.14343	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	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
63.02247	1.2
65.00206	0.7
71.01267	0.4
107.01267	1.5
108.02061	0.4
109.02847	0.3
117.03342	2.4
121.02789	0.3
135.04463	0.3
148.01511	0.3
149.02342	0.6
151.00282	1.1
152.01076	0.4
159.04431	0.8
161.02328	0.6
169.06470	0.3
181.06471	0.4
183.04549	0.6
196.05232	0.6
197.05893	0.3
199.03896	0.3
201.05551	0.3
211.03918	0.5
212.04790	0.4
215.54659	0.3
224.04776	0.3
225.05489	0.9
227.03413	0.4
239.03423	1.1
240.04199	1.6
249.11064	0.3
267.03061	0.5
268.03741	19.9
269.04529	100.0
270.04861	7.0
311.05704	0.5
329.13831	0.4
357.03760	0.3
380.88596	0.3
413.08521	0.7
431.09790	0.4
563.13995	26.9
564.14282	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	563.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77857	0.7
57.03314	1.7
58.00483	0.7
59.01250	12.4
63.02274	2.0
63.53759	0.5
65.00214	1.1
69.03338	1.4
69.80653	0.6
71.01250	6.6
72.99192	1.2
73.02820	2.7
75.00748	1.3
81.03329	0.9
83.01252	2.8
85.02816	6.2
87.00751	2.4
87.03194	0.7
89.02314	3.6
93.03335	2.8
95.01254	1.2
97.02842	1.5
98.20573	1.1
99.00768	1.2
101.02285	3.7
105.03333	1.1
107.01242	3.4
108.02038	3.2
109.02856	2.3
111.00741	1.2
111.04399	0.9
113.02353	4.1
117.03342	1.7
119.03432	0.8
119.04933	1.1
121.02809	2.2
122.03601	1.0
123.00755	0.6
123.04415	2.2
125.02354	2.3
132.02106	0.9
133.02843	5.7
134.03624	5.3
135.04366	2.6
137.02338	2.2
138.49805	0.7
147.02917	0.7
148.01613	0.6
149.02315	3.0
149.06046	1.1
150.03081	1.1
151.00279	4.5
151.03902	2.1
152.01077	5.4
153.01849	2.2
159.04483	0.7
160.01628	4.1
161.02319	2.1
161.04462	1.4
163.03947	1.1
164.04697	1.1
165.05499	0.9
167.03387	1.1
168.00464	0.9
169.01312	0.9
173.04465	2.8
174.03098	0.7
175.00325	1.7
175.03915	6.3
176.01006	0.7
177.01817	2.9
178.02527	1.4
179.03410	1.4
183.04437	0.7
184.41843	0.7
187.03973	0.9
189.05428	0.7
190.02606	2.5
191.03508	0.8
191.05525	3.2
193.04967	4.6
195.02934	0.8
199.03941	2.7
200.04585	0.8
205.05081	1.0
209.08148	0.7
215.03358	0.8
217.04962	1.3
227.03471	2.1
231.45912	0.7
241.04956	1.3
243.02998	1.4
255.02911	2.3
256.03650	3.3
257.13925	4.0
268.03745	1.0
269.04501	14.1
270.04932	1.2
271.02557	1.7
283.02490	1.1
284.00015	1.6
284.03253	71.5
285.04016	100.0
286.04449	6.9
293.04529	4.7
294.04825	1.0
297.74457	0.8
300.02780	2.8
311.05576	1.7
315.05157	1.9
323.05444	0.9
327.05182	0.7
341.13904	0.9
345.17172	1.3
353.06564	3.0
383.11383	1.8
399.06949	0.8
413.08762	2.2
417.08597	3.1
447.09424	3.8
517.26495	1.3
519.11401	4.3
545.13245	1.0
563.14014	99.1
564.14233	13.2
564.22620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69476	0.1
58.09878	0.1
59.01249	0.2
63.01943	0.1
63.02259	1.6
64.51151	0.1
65.00197	0.6
67.78838	0.1
69.89959	0.1
70.34561	0.4
71.01218	0.2
75.50314	0.1
83.01265	0.3
89.02312	0.4
91.79069	0.1
93.03338	0.5
105.03337	0.2
107.01276	1.6
117.03344	3.3
118.03682	0.2
121.02843	0.2
135.04361	0.2
137.02351	0.4
143.98517	0.1
145.02881	0.2
149.02338	0.8
151.00272	1.0
155.04970	0.1
157.06430	0.1
159.04396	1.2
161.02338	0.9
169.06526	0.4
171.04401	0.2
180.05750	0.1
181.06470	0.3
183.04482	0.7
195.04445	0.2
196.05202	0.4
197.06018	0.7
199.03949	0.3
201.05513	0.5
211.04036	0.2
212.04590	0.1
224.04718	0.5
225.05533	1.1
227.03453	0.5
239.03438	0.5
240.04253	0.4
241.04796	0.2
267.02829	0.2
268.03754	4.6
269.04532	100.0
270.04877	7.4
311.05753	0.2
387.20200	0.2
563.14160	2.7
563.22595	0.1
564.14343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.4
69.42085	7.4
69.42493	2.4
71.01251	4.4
77.54962	1.1
79.01760	3.2
83.01235	1.6
90.23047	1.1
91.05379	1.3
93.03326	6.9
98.19834	2.5
101.02296	1.4
107.01273	1.3
117.03339	28.3
119.04920	5.4
121.02850	1.7
123.04406	1.4
133.06448	2.3
135.04419	13.3
137.02342	2.2
145.02805	2.0
147.04372	3.2
149.02344	5.1
149.05919	3.0
151.03929	2.0
159.04437	2.6
161.02365	13.7
162.03000	1.9
163.03905	7.6
171.04391	2.4
171.12131	1.2
173.02289	1.6
173.05960	1.3
175.03937	11.1
176.01044	1.1
177.01816	3.7
177.05501	8.3
178.05807	1.2
179.03410	4.4
185.02361	1.4
187.03850	2.2
189.01817	4.9
189.05502	1.9
190.02548	1.5
191.03410	7.2
197.06006	3.7
199.03949	2.7
201.01770	1.4
203.03400	7.3
204.04135	1.3
205.01353	1.5
205.04951	3.5
209.06165	1.2
209.09624	1.4
211.07510	1.4
215.03455	2.8
217.04865	2.6
221.04570	3.0
223.07607	1.7
224.08305	1.8
225.05435	1.5
225.08907	1.3
233.04623	2.9
237.05600	2.4
238.06265	2.7
239.07179	1.9
241.92256	1.3
245.04619	1.7
251.07138	4.4
253.04929	1.9
253.08730	4.3
265.05048	1.8
267.06567	4.2
268.07324	5.2
269.04562	1.8
269.07913	1.4
279.06671	2.8
281.04544	4.7
282.05365	9.8
283.06073	18.1
284.06516	1.7
293.04553	2.6
293.07886	1.3
294.05231	1.4
295.06100	31.0
296.06836	15.5
297.07660	97.5
298.07941	9.6
305.04251	1.5
307.06149	10.8
308.06772	2.5
309.07660	12.5
310.04544	1.3
310.07910	1.7
311.05563	15.1
312.05972	1.8
314.04422	1.7
319.06039	1.5
321.07672	1.7
322.04782	2.7
323.05664	17.2
324.06116	4.7
325.07144	29.5
326.07434	3.4
328.05893	14.5
335.05603	6.0
337.07214	14.4
338.07492	1.5
341.06732	2.1
349.07480	2.2
351.05014	3.1
351.08853	2.0
353.06662	100.0
354.07013	8.4
355.08148	4.3
356.05399	3.7
365.06665	18.1
366.06784	2.2
367.07996	1.9
379.08273	2.2
381.06097	1.7
383.07715	66.4
384.07797	7.0
395.07639	8.2
407.08243	1.3
413.08960	7.8
425.08801	3.1
430.19992	1.5
443.09964	14.6
455.09903	2.5
473.10983	9.1
474.10605	1.3
503.11392	1.3
563.14038	80.3
564.14490	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	563.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49362	0.7
56.72601	0.7
57.03326	1.2
58.00460	1.2
59.01250	25.7
64.99845	0.8
66.09698	0.8
69.57539	1.6
69.57937	5.9
71.00890	1.1
71.01256	14.4
72.99179	2.0
73.02806	2.6
74.90667	0.8
75.00733	1.0
78.86102	0.7
79.01743	1.4
83.01268	1.9
85.02825	4.7
85.99268	0.7
87.00739	2.6
89.02316	14.5
92.87854	0.7
93.03333	4.9
95.01255	1.3
96.95897	4.8
98.19678	0.9
99.00743	1.5
101.02325	5.7
107.04896	0.8
109.02856	2.1
113.02322	3.4
115.00244	1.9
117.03344	10.3
119.04914	1.8
121.02849	3.1
123.04402	8.0
123.43724	0.9
125.02321	1.1
128.84381	0.9
131.01324	1.4
131.03413	1.0
134.03584	1.0
135.04376	3.2
137.02362	1.0
147.04379	1.1
149.02353	3.1
150.03110	0.9
151.03822	1.1
159.04460	1.0
160.05194	0.9
161.02357	5.7
161.04454	1.0
161.05975	0.8
163.00327	1.0
163.03905	2.6
164.04637	1.0
165.01866	0.8
171.74426	0.9
172.18500	0.8
173.02382	2.0
173.04462	5.1
173.05891	1.2
173.30597	0.9
175.00301	5.4
175.02437	1.7
175.03899	2.8
177.01822	1.3
177.05495	1.2
179.03395	1.2
187.11111	0.9
189.05429	1.0
191.03409	3.2
191.05545	2.3
193.04927	1.4
195.02872	1.0
197.06015	0.9
203.03365	1.9
205.05034	1.7
209.04521	1.2
221.04395	0.9
239.07062	1.6
242.02037	1.3
253.05199	1.3
267.06613	1.6
269.04602	6.0
269.07120	1.1
279.06683	1.0
281.04544	6.4
282.05283	4.4
283.06107	27.1
284.06558	1.9
293.04547	49.3
294.04959	5.2
295.06113	7.2
296.06808	1.9
297.04361	1.7
297.07678	13.7
307.06317	2.1
309.04160	1.0
309.07599	1.2
311.05585	48.9
312.05820	4.2
313.11404	1.4
314.04395	1.6
323.05609	11.9
324.06158	1.0
325.07071	4.9
326.07510	1.3
328.05814	1.8
329.02966	1.0
329.10239	1.6
335.05582	1.5
337.07205	2.7
341.06573	15.1
341.13342	1.4
342.07135	1.4
344.05331	2.0
353.06665	27.0
354.07056	3.6
355.08295	1.1
357.08246	4.1
359.07880	1.0
365.06577	5.6
379.08142	1.1
383.07727	20.9
384.08127	2.0
395.07489	4.6
413.08768	24.7
414.09064	2.4
425.08655	1.0
443.09821	14.6
444.10251	1.1
473.10883	6.2
474.11453	1.0
503.11862	4.8
503.18793	1.0
545.13556	1.7
563.14020	100.0
563.21625	3.6
564.14355	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	563.1041
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
56.59168	2.4
57.03310	6.0
57.94741	2.4
59.01248	28.4
59.93594	2.5
61.12943	2.3
65.58911	2.4
69.03328	6.7
71.01241	12.5
71.09667	4.7
72.99162	6.7
73.02795	4.2
80.22891	2.3
83.01228	2.8
85.02811	20.6
87.00737	7.1
89.02308	5.0
91.01834	2.7
93.03312	10.4
96.95882	4.4
97.02765	3.0
99.00752	4.9
101.02308	6.7
108.02055	11.8
109.02837	4.7
111.00775	3.1
113.02309	9.1
119.04881	3.6
121.02769	4.3
123.04356	4.6
125.02303	3.2
128.03368	2.7
129.01843	5.0
133.02803	8.8
134.03645	10.6
135.04393	8.1
142.40691	2.5
148.01479	3.2
149.02310	5.8
150.03069	3.6
151.00298	5.2
152.01088	11.8
153.01816	2.5
160.01555	9.8
163.00212	3.3
163.03815	5.0
164.04712	4.7
165.01837	2.7
165.05443	4.4
173.04398	11.3
175.00293	5.3
175.03903	14.9
177.01881	5.8
179.07007	3.4
181.05156	2.9
190.02605	7.0
190.23637	2.6
191.05553	19.6
193.04953	8.3
194.05225	2.6
205.04979	3.6
217.08746	3.1
221.08131	3.8
223.06007	3.7
224.49658	2.5
225.79489	2.4
241.05040	4.6
243.02942	7.3
255.02908	19.0
256.03604	5.3
267.07043	3.2
268.03653	3.9
269.04532	21.3
271.02478	41.1
272.02924	3.2
284.03253	38.5
285.04019	49.3
286.04324	2.5
297.07611	3.1
300.02728	100.0
301.03152	10.0
315.05066	83.9
316.05328	4.3
320.70554	2.8
353.06705	6.8
383.11334	9.6
425.23886	2.4
439.90533	3.0
563.13763	79.0
563.24371	7.5
564.14581	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	2.4
55.55264	0.4
57.03326	3.0
58.00465	1.1
59.01248	100.0
60.01580	0.9
61.98691	0.4
68.99683	0.7
69.03326	3.0
69.06778	0.4
71.01253	25.4
71.04890	0.8
71.58416	0.6
72.01607	0.5
72.99170	2.0
73.02812	9.3
75.00742	1.4
77.09032	0.4
81.03328	0.8
83.01261	7.2
83.04900	1.1
85.02818	15.3
85.99944	0.4
87.00749	3.4
87.04385	1.2
87.97581	0.4
89.02306	4.2
93.03351	0.8
93.07004	0.5
95.01262	3.6
95.04922	0.4
96.95906	0.5
97.02860	2.4
97.06487	0.9
99.00755	4.7
99.04395	0.6
101.02315	19.1
107.01261	0.5
108.02044	0.5
109.02857	1.2
109.06487	1.3
110.62629	0.4
111.00764	2.8
111.04454	0.4
112.01541	1.0
113.02322	12.5
115.03931	0.6
119.03391	1.7
119.04886	0.8
121.02830	0.7
123.00773	0.8
123.04377	0.4
123.08024	0.4
124.01569	1.3
125.02329	4.6
125.09654	1.1
127.07530	0.6
127.11173	1.2
129.01904	0.8
132.02060	1.0
133.02908	0.6
134.03606	2.2
135.04393	0.6
137.02280	1.0
137.04338	0.4
137.09547	0.7
139.00285	0.6
139.11218	1.9
141.01842	0.8
141.12730	0.5
143.03406	2.5
143.10675	0.5
149.02403	0.5
149.99458	0.4
151.00299	0.6
151.03845	0.7
151.11171	1.2
152.01071	0.8
153.01871	1.2
153.09117	1.8
155.10701	1.3
157.12230	3.7
159.02933	1.7
160.01576	3.9
161.02350	0.6
161.04448	5.2
163.03920	0.5
163.11308	0.9
165.12682	0.7
168.00531	0.4
169.12216	1.0
171.10178	2.7
173.04514	0.5
173.11739	1.1
175.03914	3.4
178.02704	0.4
178.99796	0.6
179.05594	0.4
181.12279	1.5
183.13869	0.6
185.00864	1.4
185.11765	0.5
186.12483	1.2
187.13322	1.8
190.02647	0.9
191.05464	0.7
193.04944	3.5
194.05316	0.5
194.88940	0.5
197.11725	1.8
199.13310	1.4
201.14847	1.0
205.05008	1.0
209.11734	3.8
211.13307	1.6
217.04906	0.9
227.12694	0.5
227.16469	0.7
228.13568	0.9
235.06107	0.6
253.09245	3.7
266.91428	0.5
282.05209	0.4
284.03116	1.1
285.03952	1.9
289.18149	0.8
297.24387	1.5
301.16620	0.6
303.23322	0.6
307.19174	5.5
308.19266	0.5
309.24426	0.7
313.05743	0.6
321.24310	1.3
323.75320	0.5
325.20178	6.5
329.15811	0.5
330.16678	1.9
331.06659	1.2
335.17123	0.8
339.25531	2.5
341.26779	0.5
347.17026	0.5
348.17804	3.0
357.26437	10.1
358.26556	0.7
381.26395	0.5
429.25046	1.5
435.27267	0.6
441.28363	0.7
447.27237	0.6
453.28601	1.4
465.28485	2.7
466.29437	0.5
471.29324	1.2
474.20901	0.6
483.29544	4.7
484.29865	0.8
501.30661	89.6
502.31055	11.9
502.38406	0.7
519.31732	27.0
520.32025	3.9
543.30719	1.2
561.15881	0.7
561.23810	0.7
561.32056	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	561.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71289	3.0
57.03308	10.1
59.01247	72.8
61.98693	10.4
66.01838	3.1
69.03330	7.8
71.01248	41.8
71.21277	7.3
72.99197	4.4
73.02813	9.8
73.91299	3.3
81.03326	3.8
83.01245	14.5
83.04875	8.3
85.02817	14.4
87.00750	8.1
88.98697	6.1
89.02308	25.2
95.01273	5.7
95.04920	4.4
97.02819	10.8
97.06467	16.4
99.00755	6.8
101.02308	37.0
101.05960	8.2
109.02838	4.6
109.06458	5.3
113.02312	18.0
113.05976	3.9
119.03384	6.5
123.04379	12.2
123.08062	4.4
125.09588	32.3
135.08040	5.3
137.09645	5.4
149.02348	7.0
152.01050	5.4
161.02266	3.8
161.04445	13.4
163.11150	17.0
165.12773	9.3
167.10670	8.3
171.10144	21.4
179.05501	7.0
181.12225	6.8
183.13896	6.9
185.11734	34.6
190.02615	4.3
191.05586	4.1
191.14360	23.1
207.10216	11.7
209.09865	6.7
209.11746	76.0
211.13232	5.6
225.11230	8.4
227.12776	13.0
227.36279	3.6
237.11183	6.7
245.19026	45.6
246.19524	5.7
253.09261	45.5
263.20193	6.7
265.91690	3.5
271.16965	8.9
285.04013	5.9
289.18076	100.0
290.18353	10.2
298.13724	4.4
307.19104	68.5
308.19556	5.0
325.20181	6.5
339.78644	3.4
399.13983	4.2
501.30786	4.5
561.25513	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.2
57.03331	1.6
59.01247	33.3
69.03323	10.2
69.94990	2.6
69.95405	1.2
71.01246	12.6
73.02824	2.7
83.01271	2.3
83.04872	0.8
85.02824	5.0
87.00761	1.4
88.53410	0.6
89.02316	4.6
89.03877	1.1
95.01273	1.9
96.95876	1.3
97.02832	1.6
98.19882	1.3
99.00736	3.2
101.02312	7.0
101.02812	0.7
108.02038	1.1
108.37411	0.6
109.02882	0.9
111.00848	0.8
113.02328	9.6
117.03347	3.2
119.03390	1.3
119.04892	0.9
121.02844	1.1
125.02330	1.9
132.02058	23.6
133.02893	3.5
134.03624	51.7
135.04402	1.1
135.08014	0.7
137.02327	1.4
141.01773	0.8
145.02910	0.7
147.04375	1.4
148.01553	0.7
149.02357	1.0
149.05963	7.5
152.01074	1.7
152.99895	0.6
153.01828	0.6
153.09085	0.8
159.02882	0.7
160.01561	100.0
161.01906	3.6
161.04439	4.2
163.03914	1.2
163.07545	0.7
174.03050	1.4
175.03909	89.3
176.04405	6.6
177.01831	1.0
178.02542	0.8
185.00824	7.3
187.01430	0.7
190.02524	1.3
191.05556	1.0
191.07043	6.0
193.04979	52.5
194.05254	1.7
202.02634	4.1
205.05022	0.8
207.06508	2.5
217.04993	54.9
218.05307	2.9
235.06032	14.0
236.06337	0.9
247.05994	1.9
261.61026	0.6
265.07065	1.4
295.08008	0.9
321.24124	1.0
337.09378	3.2
339.25174	1.2
355.10413	9.6
357.26273	1.9
375.27087	0.9
483.29044	1.4
501.30682	8.2
519.31683	6.4
561.23279	20.0
561.30804	1.1
562.23529	2.2
573.96246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.7
55.73756	0.4
57.03313	1.7
59.01248	20.0
61.98682	0.5
68.10501	0.5
69.03320	1.2
69.53926	3.4
71.01248	10.4
72.99175	0.8
73.02819	2.7
83.01247	1.5
83.04915	0.5
85.02814	5.1
87.00731	1.0
89.02316	3.5
89.03809	0.7
93.03323	0.8
95.01262	1.4
97.06508	0.5
98.20535	0.6
99.00759	1.5
101.02316	5.8
108.02014	0.7
109.02859	1.0
113.02322	6.4
115.20774	0.4
116.07063	0.5
117.03334	3.7
119.03424	1.0
123.04439	0.5
125.02283	0.9
132.02058	22.7
133.02899	2.3
134.03624	63.5
135.03870	2.3
136.05182	0.7
137.02332	1.2
137.09612	0.6
143.03387	0.8
147.04411	1.4
148.05219	0.6
149.02325	0.7
149.05969	9.1
152.01027	0.7
152.08289	0.7
153.09108	1.1
160.01561	94.5
161.01874	3.5
161.04437	2.0
161.09688	0.6
171.10158	0.5
174.03116	0.8
175.03912	95.1
176.04294	4.7
177.01822	1.0
178.02611	1.4
185.00882	0.9
191.05637	0.4
191.07053	2.5
193.04977	100.0
194.05305	4.5
202.02528	1.1
205.04971	0.7
205.12251	1.4
207.06590	1.3
209.11818	0.5
217.05000	20.7
218.05302	1.2
235.06059	6.8
247.05983	0.5
251.20081	0.9
259.06085	0.6
265.07153	0.7
269.04312	0.4
281.35226	0.4
284.03607	0.5
295.08215	0.9
315.07339	0.4
321.24243	0.6
337.09351	1.3
346.88632	0.5
355.10391	3.4
356.10822	0.6
357.26413	1.4
366.07040	0.8
381.09769	1.6
395.24457	0.5
399.10788	1.4
413.25488	1.5
483.29355	0.5
501.30621	10.0
519.31720	4.3
561.23413	51.8
562.23639	7.8
565.83020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03327	4.7
58.00463	1.3
58.03673	0.4
59.01248	99.9
60.01573	1.0
61.98688	1.0
65.00203	0.7
69.03329	3.3
69.59079	0.4
71.01250	35.7
71.04894	2.4
71.58559	0.6
72.01595	0.9
72.01973	0.5
72.99184	2.8
73.02812	9.2
75.00763	1.6
81.03316	0.6
83.01254	6.5
83.01720	0.7
83.04897	1.2
85.02820	17.1
87.00755	3.8
87.04395	2.4
89.02316	16.1
89.03844	0.7
93.03342	1.5
95.01255	4.0
96.95925	1.1
97.02827	1.9
97.06409	1.2
98.91434	0.5
99.00758	5.3
99.04420	1.4
99.08043	1.0
101.02321	20.8
106.04120	0.7
106.06508	9.6
107.04898	0.6
108.02055	1.5
109.02843	2.2
109.06464	1.3
111.00784	2.2
113.02328	26.2
117.03316	2.8
119.03390	5.2
119.04908	1.6
121.02842	1.4
123.04385	0.8
124.01553	1.1
125.02337	5.9
125.09634	1.1
127.11195	0.9
129.09097	0.8
131.03387	0.7
131.07057	1.7
132.00557	0.7
132.02063	23.4
133.02911	3.1
134.03629	56.8
135.04355	2.8
136.01579	0.8
137.02339	2.4
137.09622	0.8
139.03894	0.8
139.11223	1.2
139.93102	0.5
141.01852	0.5
143.03401	4.4
143.10687	1.3
145.02916	1.0
147.04391	2.7
148.01552	0.7
148.05185	1.2
149.02368	2.2
149.05975	6.6
150.05469	5.1
150.06406	0.5
151.00255	2.0
151.03886	1.0
151.11217	0.5
152.01053	2.7
153.01868	2.6
153.09093	1.0
155.10713	0.6
157.12206	1.7
159.02936	0.8
160.01563	100.0
161.01904	5.4
161.04465	7.2
162.03006	0.6
163.03911	1.9
163.11214	0.9
164.04706	1.4
165.01822	0.9
165.05397	0.7
165.12743	0.7
167.03465	0.8
168.00529	0.9
169.12280	0.6
171.10190	5.3
173.04477	0.8
173.11761	1.1
174.03142	1.7
175.03914	89.5
176.01086	1.1
176.04477	7.1
177.01797	2.1
178.02623	0.7
178.99773	1.4
179.03415	1.3
179.05527	2.2
179.06963	0.6
181.12141	1.2
183.13860	0.9
185.00771	1.1
187.13303	1.2
189.05507	1.5
190.02704	1.4
191.05449	1.2
191.07040	8.7
192.04256	1.0
193.04982	57.2
194.04367	7.6
197.11845	1.2
199.03873	0.5
199.13335	0.9
201.14951	0.9
202.02730	3.5
203.07062	1.1
204.00710	0.6
205.04956	1.6
205.12338	0.7
206.99718	0.7
207.06586	3.2
211.13283	0.8
217.04993	54.0
218.05324	3.6
223.06294	0.9
227.03563	0.6
234.15768	0.5
235.06058	15.7
235.08336	1.1
236.06363	0.7
241.04968	0.7
243.02867	0.6
247.06122	1.2
249.03674	0.6
251.20108	1.2
253.09280	2.1
255.02982	1.2
257.04514	0.5
265.06979	2.5
267.19638	0.7
269.04547	0.9
283.02676	0.7
284.03165	1.4
285.03943	5.2
295.08252	2.6
296.22879	0.6
297.03769	0.8
297.24384	0.7
299.05673	2.8
303.05026	1.4
313.03189	0.9
313.23611	0.6
314.04312	0.7
321.24255	1.4
325.20221	4.1
331.06436	0.6
337.09290	2.7
339.25372	4.6
341.27097	0.6
351.05197	1.1
355.10312	11.6
357.26440	10.3
358.26572	0.7
366.07455	1.8
381.09787	4.3
381.26456	2.3
383.07501	0.9
399.10535	4.4
399.15201	0.8
399.27759	0.7
400.11298	0.8
441.27698	0.6
460.54782	0.7
483.29800	1.5
501.30673	47.6
502.31192	4.8
519.31769	18.2
520.31879	1.4
561.15906	6.4
561.23322	24.4
561.32544	3.8
562.16138	1.0
562.23798	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1973
Annotation	Saframycin A
Peak:m/z	Relative Intensity
51.03776	0.4
51.06138	0.3
55.01746	1.4
57.03312	1.3
59.01249	9.5
61.98703	6.4
65.00201	0.6
67.00365	0.4
67.01768	0.5
69.03323	23.5
69.57549	0.9
69.57951	2.0
71.01247	7.4
72.99184	0.9
73.02836	2.5
73.03189	0.4
75.00734	0.6
79.01740	0.4
79.95601	0.4
80.96377	2.1
81.03328	1.3
83.01234	1.8
85.02818	6.2
86.05951	0.4
87.00751	1.6
88.98680	0.4
89.02320	2.1
93.03349	2.7
95.01266	2.1
95.04895	0.5
96.95889	1.0
97.02826	7.5
97.06464	0.6
99.00741	6.6
101.02321	4.1
107.01257	0.8
107.04922	1.2
108.02049	56.0
109.02853	16.1
109.06447	0.5
110.03143	0.6
111.00769	0.7
111.04416	1.2
113.02328	3.7
117.03336	0.5
119.03386	0.4
119.04901	0.6
119.08567	0.5
121.02845	2.7
121.06435	0.6
123.00797	2.1
123.04385	1.3
125.02320	4.6
125.05950	1.8
129.01848	0.5
132.02090	1.1
133.02827	2.5
134.03622	6.6
135.04454	1.9
135.08057	0.7
136.05171	1.4
137.02353	3.1
137.05952	0.5
139.03949	0.8
139.07539	1.2
141.01831	1.5
143.03372	0.8
145.02881	0.9
145.06509	1.0
147.00853	0.4
147.04443	0.7
149.02335	4.9
149.05983	1.7
150.03101	0.6
151.00270	2.5
151.03917	2.2
151.07594	1.9
151.22099	0.4
152.01051	90.6
152.08267	0.5
153.01854	13.9
153.09084	0.5
154.02151	0.7
159.02924	0.4
160.01569	5.3
161.02322	0.8
161.04419	1.4
161.05794	0.5
163.03943	2.3
163.06099	0.7
163.07536	1.2
164.04677	2.5
165.01833	1.6
165.05266	0.4
167.03468	0.5
171.10152	0.6
173.04478	1.1
175.00327	1.6
175.03920	7.8
176.01096	1.0
176.04382	0.5
177.01840	1.7
178.02620	2.3
179.03441	1.0
179.07059	0.7
185.00841	21.1
185.09612	0.6
189.05614	0.5
189.09146	0.5
190.02585	3.1
191.03482	2.1
191.05504	1.8
192.04234	1.4
193.01335	0.8
193.04979	6.7
194.05394	0.5
195.02846	0.8
197.06104	0.5
201.12781	4.1
202.13133	0.5
203.10712	2.5
204.11496	5.4
205.05049	2.6
205.06754	0.5
207.06639	1.1
208.03763	1.1
209.06038	1.2
215.07016	0.5
217.05029	1.2
219.13849	6.7
223.04170	0.6
223.06104	6.7
225.05681	0.4
230.09456	1.5
235.06082	0.7
245.11850	1.5
253.05008	7.5
263.12878	2.9
267.07007	0.5
269.04559	0.6
284.03235	3.6
285.04028	4.9
286.04523	0.5
297.06146	7.7
298.06519	0.6
311.83716	0.5
315.07236	8.5
316.07578	0.5
323.13467	0.7
337.09286	3.4
353.08807	3.1
363.08630	0.4
367.10349	0.9
375.27496	2.6
399.10666	0.5
418.15555	0.4
501.30615	1.6
543.21478	1.4
561.19873	100.0
562.20276	14.0
562.28455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.3
57.03323	4.6
58.00452	1.4
59.01249	72.0
59.27896	0.9
61.98683	2.9
65.88216	1.0
67.01740	0.9
69.03329	8.0
69.28543	10.8
71.00889	1.6
71.01250	24.3
71.04851	1.1
72.99155	1.8
73.02811	7.7
75.00733	1.7
79.88999	1.0
80.96373	2.9
81.03322	2.3
83.01258	5.8
83.04865	1.7
85.02823	12.6
87.00730	3.9
89.02309	9.6
93.03337	10.4
93.06956	1.3
93.74284	0.8
95.01229	3.9
96.95858	2.1
97.02810	3.8
99.00748	4.7
99.04357	1.7
101.02321	15.7
103.03873	1.3
106.06493	2.4
107.04870	1.3
108.02050	51.1
109.02849	17.9
111.00745	2.2
111.04355	1.0
113.02325	12.6
117.03326	3.3
119.03338	2.6
119.04933	5.4
121.02865	5.1
122.03593	1.1
123.00716	2.9
123.04351	2.7
125.02341	7.2
125.05918	2.5
129.01796	1.9
131.03369	1.2
132.02058	6.4
133.02843	3.3
134.03622	36.9
135.00719	1.6
135.02895	1.0
135.04460	4.6
136.03947	1.9
137.02333	15.4
139.07549	1.3
141.01750	1.5
143.03375	1.8
145.02818	2.3
148.03957	1.2
148.05144	1.3
149.02310	3.4
149.05980	5.5
150.02989	1.2
150.05434	1.5
151.00217	4.8
151.03827	3.4
151.07475	2.0
152.01050	77.9
152.08260	2.2
153.01845	16.3
154.02304	1.1
159.02872	1.3
159.04407	1.0
160.01569	25.1
160.03601	1.0
161.02179	2.4
161.04465	5.0
161.05630	1.0
163.03879	7.7
163.07558	1.5
164.04601	3.8
165.01797	1.4
165.05424	1.6
166.02574	0.9
166.04971	2.2
167.03381	1.7
171.10133	2.4
173.04454	4.6
175.00259	5.4
175.03903	24.4
176.04216	2.2
177.01811	2.6
177.05466	1.5
178.02638	8.0
179.03358	2.1
180.06549	1.7
185.00780	2.7
185.09613	1.1
190.02625	13.7
191.05443	4.6
193.04971	57.4
194.05299	1.4
201.12743	2.8
203.10658	2.0
204.11427	4.4
205.03325	1.4
205.05013	14.5
207.02937	1.7
208.03627	1.1
209.15343	2.1
210.03906	2.1
217.04916	4.0
219.13794	5.8
223.04245	1.8
223.06036	3.5
235.06042	2.2
245.11594	1.3
247.06094	1.3
257.04398	1.0
263.12775	2.1
269.04361	1.9
284.03281	1.5
285.03909	3.4
297.06137	8.0
301.71973	1.0
315.07190	10.0
325.19803	1.4
339.12137	3.6
352.07843	3.2
353.19489	1.8
357.26294	3.0
367.10294	14.5
368.10266	2.0
371.20502	2.3
389.21689	1.7
465.28629	1.3
483.29156	1.0
489.23508	2.1
501.30637	28.1
502.31165	2.1
519.31757	12.5
521.16327	1.4
523.34521	3.0
524.35571	1.1
561.19611	100.0
561.32355	8.1
562.19989	14.3
562.32025	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
57.03315	2.2
58.00453	0.9
59.01250	21.7
61.98698	0.8
68.99710	0.6
69.03329	6.6
71.00887	1.0
71.01254	14.8
71.58547	0.9
72.99174	1.8
73.02827	3.7
75.00745	1.6
78.98461	0.9
79.95618	1.3
80.96396	5.8
83.01265	2.7
83.04926	1.0
85.02821	8.7
87.00751	2.1
89.02315	9.2
91.01777	1.0
93.03340	4.4
94.97945	1.7
95.01257	3.2
96.95881	3.4
97.02831	2.6
99.00758	3.8
99.04374	1.1
101.02319	8.0
103.03887	12.7
105.03376	0.8
106.49362	0.6
107.01254	1.6
107.04888	1.3
108.02050	19.3
109.02251	0.7
109.02847	9.0
111.00726	2.0
111.04386	0.8
113.02325	7.4
115.00221	0.7
117.02629	0.7
117.03355	2.6
117.05437	0.7
119.01283	0.8
119.03381	3.2
119.04900	3.4
121.02841	5.6
123.00736	1.6
123.04392	1.3
124.01515	0.6
125.02361	5.0
129.01817	1.0
131.03409	0.6
132.02042	1.9
133.02844	9.1
133.04977	0.8
134.03632	68.6
135.00763	2.0
135.04460	7.6
137.02338	12.5
137.09586	0.7
139.03873	3.7
143.03421	1.4
145.02864	0.9
145.04951	1.1
147.04391	1.1
148.01555	1.2
148.05104	0.9
148.99005	0.9
149.02348	7.6
149.05984	20.0
149.46445	0.6
150.03114	3.2
150.06236	0.9
151.00296	3.2
151.03938	1.4
151.07480	0.8
152.01057	28.6
153.01849	10.6
159.04427	1.0
160.01570	7.0
161.02338	5.6
161.04445	2.8
163.03899	4.5
163.06027	1.6
164.04639	4.2
164.98586	0.8
165.01842	1.5
165.03999	0.8
165.05424	1.1
165.12701	0.7
167.03415	1.6
168.00533	1.2
169.01349	0.6
171.10136	0.9
173.04475	2.8
175.00291	5.2
175.02454	1.2
175.03897	8.8
176.01070	5.7
177.01819	3.0
177.05431	0.8
178.02629	36.7
178.99786	1.3
179.03482	3.0
179.05482	2.0
179.07089	1.6
183.13846	1.8
185.00835	4.2
187.11197	1.6
190.02629	13.0
191.03412	11.6
191.05547	4.3
192.04213	14.0
193.01437	3.0
193.04987	100.0
194.05318	4.3
201.12779	0.9
204.11525	0.8
205.05011	18.1
205.06926	1.1
206.05298	0.9
207.02927	2.3
207.06552	17.6
208.03766	3.8
209.04500	2.7
211.04176	0.6
223.06166	8.3
225.00737	1.9
227.12924	1.3
232.03816	0.8
233.04408	0.7
239.03520	0.8
245.11803	0.8
249.06033	0.9
255.02893	1.4
263.09232	0.6
265.07034	0.8
267.07022	0.8
268.03702	10.4
269.04529	36.2
270.04846	2.8
283.02405	1.7
284.03235	2.5
285.04028	8.4
286.04596	0.8
287.05841	0.9
293.04105	0.7
297.06131	2.7
315.07230	8.1
316.07590	1.0
323.07782	4.4
331.06470	0.8
332.06317	0.8
337.09250	2.5
338.06396	1.9
352.07977	2.3
353.08759	20.9
354.09113	2.3
367.10342	16.4
368.10507	1.1
375.16629	1.6
375.27200	0.8
384.09006	1.2
397.08960	0.9
399.14233	2.3
447.09335	2.2
448.10196	1.0
501.30472	2.6
543.21582	3.7
561.19891	26.9
561.30872	1.6
562.21124	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	561.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40683	0.4
57.03315	0.6
59.01248	6.1
60.48790	0.4
64.45506	0.4
69.03320	0.9
69.62490	0.9
69.62899	2.2
71.01238	4.3
73.02804	0.6
79.08992	0.4
83.01256	0.5
84.02859	0.4
85.02831	2.6
87.00742	0.6
87.65388	0.4
89.02313	1.1
89.03859	1.4
91.01742	0.4
93.03316	0.8
95.01255	0.9
97.02825	0.8
99.00754	0.8
101.02332	1.4
106.04111	0.7
108.01340	0.6
108.02041	4.8
109.02858	2.6
113.02352	2.3
113.19955	0.4
117.03340	5.3
119.01258	2.3
121.02847	3.3
123.00696	0.5
125.02295	0.5
132.02049	4.2
133.02896	2.0
134.03622	69.9
135.04021	2.3
137.02316	4.4
139.03885	1.5
142.70869	0.5
147.00784	1.8
147.04408	0.4
149.02335	11.5
149.05974	9.7
150.03006	0.7
150.06320	0.5
151.00288	0.6
152.01044	6.9
153.01874	2.6
160.01561	16.7
161.02248	0.8
163.03931	3.1
164.04706	7.9
165.01869	1.2
165.05324	0.8
167.03433	0.6
174.98772	0.6
175.00293	13.0
175.03911	16.5
176.00748	0.6
176.04344	0.8
177.01822	1.2
178.02621	14.6
179.03131	0.7
179.07054	2.0
186.31508	0.4
189.01767	0.6
190.02631	35.8
191.03154	2.0
191.05464	0.4
193.01424	2.3
193.04976	100.0
194.05273	4.5
205.04993	44.7
206.05264	2.2
207.03009	2.0
207.06578	0.5
208.03674	2.8
209.04414	0.4
217.01382	0.5
219.13831	0.5
223.06059	18.1
224.06459	0.8
232.03690	1.7
235.06007	0.5
247.06105	2.9
252.59697	0.4
265.07111	0.4
269.04584	0.6
315.07141	1.2
322.07162	0.5
337.05563	2.8
337.09265	6.0
338.05902	0.5
338.09714	0.5
352.08002	5.8
353.08411	0.8
367.10287	46.0
368.10660	4.3
381.09775	0.5
385.11389	0.6
501.30569	1.1
561.19910	7.3
562.19830	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.3
59.01249	1.9
63.02188	0.1
69.03330	0.4
71.01250	1.7
71.28841	0.3
72.99191	0.3
73.02830	0.3
75.00743	0.2
79.95601	2.3
80.96390	0.5
83.01244	0.4
83.04893	0.2
85.02826	1.2
85.36253	0.2
87.00747	0.6
89.01791	0.1
89.02311	2.6
93.03343	0.7
96.95886	100.0
97.02765	0.2
99.00768	0.3
101.02337	1.1
108.02049	0.3
108.57034	0.2
109.02838	0.3
111.00774	0.3
111.04428	0.2
113.02326	0.6
118.63273	0.2
119.03338	0.2
119.04877	0.2
121.02863	0.4
123.04393	0.3
125.02342	0.8
129.01851	1.1
133.02815	0.4
133.04962	1.3
134.03612	0.3
135.04431	0.4
137.02312	0.4
145.02849	0.2
149.02333	0.4
149.05981	0.4
150.03151	0.3
151.00220	0.2
151.03952	0.3
151.07567	0.3
152.01047	0.4
153.01801	0.3
153.09137	0.4
155.03384	0.3
160.03882	0.2
161.02289	0.3
161.04463	0.5
161.05930	0.2
163.03920	0.3
165.05508	0.2
167.03387	0.6
168.00484	0.3
173.04478	0.8
175.02403	0.2
175.03902	0.4
177.01794	0.2
179.05562	0.3
191.05504	1.3
193.01324	0.4
193.05020	0.3
197.72482	0.2
203.06938	0.2
205.04982	0.2
205.12329	0.2
223.13448	0.3
242.05830	0.8
249.06204	0.2
255.03017	0.3
257.08188	1.2
267.07010	0.2
271.02411	0.3
284.03418	0.2
289.07053	0.3
300.02817	0.7
301.03391	0.3
311.09464	0.3
340.43500	0.2
343.11893	0.6
355.06934	0.3
385.18765	0.8
399.11130	0.3
463.08838	0.6
560.21027	0.5
561.15063	0.5
561.22552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26214	1.5
57.03315	4.4
59.01252	25.4
60.14693	1.7
61.98706	3.0
62.92389	1.6
69.03317	2.7
69.41779	15.5
71.01263	9.7
71.04906	7.6
72.99162	1.8
73.02810	4.4
75.00739	2.5
80.02559	2.5
81.03337	2.2
83.01254	1.7
83.04916	8.6
84.02007	2.6
85.02828	5.6
85.42172	1.5
87.00741	3.6
89.02335	2.6
95.01246	2.0
95.04911	2.3
95.24881	1.4
97.02841	5.4
97.06474	8.9
98.19810	3.9
99.00756	28.3
101.02301	6.5
109.02801	2.4
109.06470	3.3
113.02330	5.4
123.08010	5.0
124.01385	1.5
125.02371	1.9
125.09592	16.1
131.27673	1.6
135.04433	2.2
137.02328	2.9
137.21274	1.7
142.02637	1.9
143.56525	1.7
152.00964	1.5
153.12735	3.0
163.11195	30.8
165.12761	4.3
175.03914	2.3
179.10767	2.3
181.12265	62.5
182.12683	2.2
197.11766	1.6
199.13341	16.6
207.08334	2.7
207.10210	44.0
209.11780	99.2
210.12077	5.3
225.11281	89.9
226.11586	5.5
227.12810	19.3
243.12363	44.7
244.12692	4.1
253.09273	2.4
270.46548	1.9
285.04086	2.5
291.19662	2.3
299.15018	9.8
303.15622	2.0
317.16019	35.7
318.16330	3.4
323.22250	13.5
404.79236	1.7
509.27603	8.8
527.28656	100.0
528.28931	16.4
559.26843	8.8
560.27765	2.4
574.63977	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	559.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60128	0.7
56.20689	0.7
57.03306	1.1
58.30668	0.9
59.01240	5.8
65.00185	1.1
67.01756	3.2
67.68575	0.8
69.03329	1.9
71.01247	5.6
72.99216	1.1
73.02808	1.7
81.03307	2.4
83.01254	1.5
83.04889	6.8
85.02810	5.7
87.00755	3.3
89.02303	3.2
91.05391	1.2
93.03326	29.0
94.03684	1.7
94.70387	0.8
95.01274	1.0
96.95837	1.5
97.02829	1.1
101.02323	1.6
107.04897	2.3
108.02073	1.4
109.02796	4.5
111.00734	2.1
111.03636	1.4
111.04402	25.6
113.02318	1.5
117.03367	1.3
119.04918	2.1
121.02814	9.6
125.02303	1.0
127.03872	3.4
129.01788	1.2
132.02058	2.2
133.02855	20.3
134.03625	8.4
135.04413	100.0
136.04758	4.1
137.02339	16.6
147.04399	7.1
149.02339	80.7
150.02696	3.2
152.01033	3.0
153.01773	1.6
155.03406	45.5
156.03679	1.5
159.04373	1.9
161.02350	56.1
162.02737	2.4
163.03932	1.7
164.04700	61.4
165.05058	1.9
173.04465	96.1
174.04797	3.7
175.00241	3.8
176.01070	1.0
177.01895	2.1
179.03413	79.5
179.07005	3.8
180.03812	5.1
190.02641	11.1
191.05524	17.9
193.04988	2.6
196.27794	0.9
203.03368	1.3
205.05017	9.8
208.03693	1.6
211.07504	1.8
223.06059	91.3
224.06456	5.2
226.81494	0.9
255.06535	1.1
285.67276	0.9
335.07697	36.0
335.11749	2.0
336.08057	4.2
353.08749	32.2
354.09238	1.8
367.10229	3.5
379.10284	22.9
380.10516	1.8
397.11349	26.1
398.11926	1.4
559.14490	17.6
560.15009	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	559.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03891	0.8
52.94151	0.7
54.90878	0.7
55.08719	0.8
57.03317	2.6
59.01247	15.2
61.75790	0.7
61.98687	1.0
64.27643	0.7
65.03834	1.4
67.01744	3.2
68.61990	0.8
69.03319	5.7
69.92415	2.7
69.92831	1.7
71.01247	9.0
72.99185	1.4
73.02814	2.6
75.00755	1.7
81.03339	2.2
82.36761	0.8
83.01269	2.0
83.04899	4.3
83.05309	0.7
85.02808	5.9
87.00761	4.5
89.02316	3.2
91.05418	1.4
93.03325	26.8
94.03649	1.2
95.01237	1.1
96.95899	2.2
97.02830	1.9
97.61210	0.8
99.00747	2.1
99.04384	2.0
101.02322	4.6
107.01320	0.7
107.04913	1.1
108.02077	1.4
109.02830	4.4
111.00753	3.1
111.04396	21.1
113.02335	3.9
115.00222	0.8
117.03342	2.1
119.03407	1.0
119.04924	1.6
121.02833	7.3
123.00748	0.9
123.04369	1.2
124.01552	1.3
125.02342	3.4
127.03892	3.9
132.02087	2.6
133.02846	14.7
134.03644	6.2
135.04410	81.5
136.04741	3.0
137.02341	16.4
137.03276	0.6
141.01816	1.3
141.04144	0.9
142.84384	0.8
143.03343	0.8
147.04382	4.8
149.02338	64.2
149.99437	2.0
150.02715	2.3
151.00212	2.2
151.03900	1.2
152.00986	1.3
153.01833	1.5
155.03398	40.1
156.03816	0.8
159.04413	2.0
161.02345	48.5
162.02733	2.6
163.03885	1.9
164.04691	49.3
165.05238	2.3
168.00555	2.5
173.04459	100.0
174.04825	3.6
175.00308	3.6
175.03885	1.4
177.01866	1.3
178.02708	0.7
179.03416	76.0
179.06863	5.0
180.03767	3.1
184.99298	1.1
185.00792	4.8
190.02611	10.4
191.03439	2.5
191.05521	24.5
192.05925	0.9
193.04941	2.8
197.04478	1.2
203.03433	3.0
205.05022	10.0
206.05290	0.8
211.07680	1.1
211.13490	1.1
223.06058	83.4
224.06361	5.2
269.04596	1.5
284.03281	1.1
285.03967	1.6
299.05637	1.6
312.92880	0.9
335.07690	36.0
336.08170	2.3
353.08762	37.7
354.08899	4.4
364.08682	0.9
367.10284	3.0
373.25824	0.9
379.10318	19.5
380.10745	2.7
397.11420	21.9
398.11700	2.6
412.07257	0.8
499.29449	1.0
521.32703	0.9
559.14050	24.3
559.31274	3.3
560.14514	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	557.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	10.6
59.01252	88.7
61.98711	11.1
69.03324	38.0
71.01248	33.2
71.59676	3.4
72.99174	6.6
73.02809	13.0
75.00737	4.7
82.52094	3.2
83.01275	10.4
83.04893	3.8
85.02815	23.6
87.00735	14.1
89.02319	16.7
93.03339	10.6
95.01264	6.7
96.95916	6.9
97.02849	12.6
97.03410	2.9
97.06450	3.2
99.00771	14.0
99.04395	12.2
101.02333	21.9
108.02069	6.7
109.02837	7.0
111.00734	5.8
111.04393	4.1
111.08047	10.7
113.02332	17.0
117.05567	2.7
119.03395	8.4
120.37354	3.2
121.02849	4.8
123.08060	4.3
125.02360	10.2
127.07542	3.1
129.01842	2.9
131.03479	4.5
133.02831	5.2
134.03659	14.1
135.04448	6.7
137.02359	13.8
137.09641	4.5
138.05453	3.5
141.04114	3.7
143.03456	3.1
145.02922	3.1
149.02353	7.3
149.06047	5.0
151.00287	6.1
151.03896	3.5
152.01131	7.4
153.01868	8.1
158.90631	3.1
160.01604	5.2
161.02388	6.1
161.04486	4.3
163.03903	7.8
164.04753	3.6
165.05434	4.0
168.00620	3.4
169.01457	3.4
171.10132	3.1
173.04578	5.4
173.08144	9.2
175.00349	3.3
175.03940	6.4
185.00871	22.7
190.02733	10.8
191.05582	5.1
193.05055	13.8
195.06506	4.1
204.23766	3.2
205.05069	11.9
223.06178	6.3
227.13057	3.4
267.07318	3.4
268.03799	5.7
269.04547	13.0
285.04059	5.1
359.27936	3.4
371.24380	3.4
401.14951	3.0
457.16589	4.8
487.02048	3.0
497.27536	4.6
521.33282	56.8
522.33832	9.0
557.31049	100.0
558.31244	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.8
58.67969	0.7
59.01249	20.2
59.85263	0.7
61.98692	2.7
65.91576	0.7
69.03325	2.2
71.01260	4.1
71.74004	0.8
72.99184	1.1
73.02820	2.3
75.00744	1.0
83.01268	0.9
85.02826	3.9
87.00729	1.5
89.02315	1.2
93.03317	1.8
96.95869	1.2
97.02777	1.1
97.06448	1.2
99.00763	1.6
101.02322	2.1
108.02058	1.1
109.02845	1.7
111.04408	1.1
113.02338	2.6
121.02843	1.2
121.65506	0.8
125.02324	1.1
125.09635	2.1
131.38855	0.9
134.03610	0.7
137.02318	3.9
149.02319	0.8
151.00215	1.0
152.01038	2.3
163.03880	1.8
165.05600	0.8
167.13329	0.7
173.11836	0.9
185.00798	1.1
187.09703	1.9
197.02246	1.1
209.11890	1.1
285.03961	1.3
311.21820	0.8
313.23874	2.6
353.10046	1.0
353.23288	0.9
357.26035	0.9
359.28006	100.0
360.28339	10.8
394.15018	0.9
461.38559	1.0
497.27682	3.8
515.28601	3.4
557.30530	19.8
558.30939	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60128	0.7
56.20689	0.7
57.03306	1.1
58.30668	0.9
59.01240	5.8
65.00185	1.1
67.01756	3.2
67.68575	0.8
69.03329	1.9
71.01247	5.6
72.99216	1.1
73.02808	1.7
81.03307	2.4
83.01254	1.5
83.04889	6.8
85.02810	5.7
87.00755	3.3
89.02303	3.2
91.05391	1.2
93.03326	29.0
94.03684	1.7
94.70387	0.8
95.01274	1.0
96.95837	1.5
97.02829	1.1
101.02323	1.6
107.04897	2.3
108.02073	1.4
109.02796	4.5
111.00734	2.1
111.03636	1.4
111.04402	25.6
113.02318	1.5
117.03367	1.3
119.04918	2.1
121.02814	9.6
125.02303	1.0
127.03872	3.4
129.01788	1.2
132.02058	2.2
133.02855	20.3
134.03625	8.4
135.04413	100.0
136.04758	4.1
137.02339	16.6
147.04399	7.1
149.02339	80.7
150.02696	3.2
152.01033	3.0
153.01773	1.6
155.03406	45.5
156.03679	1.5
159.04373	1.9
161.02350	56.1
162.02737	2.4
163.03932	1.7
164.04700	61.4
165.05058	1.9
173.04465	96.1
174.04797	3.7
175.00241	3.8
176.01070	1.0
177.01895	2.1
179.03413	79.5
179.07005	3.8
180.03812	5.1
190.02641	11.1
191.05524	17.9
193.04988	2.6
196.27794	0.9
203.03368	1.3
205.05017	9.8
208.03693	1.6
211.07504	1.8
223.06059	91.3
224.06456	5.2
226.81494	0.9
255.06535	1.1
285.67276	0.9
335.07697	36.0
335.11749	2.0
336.08057	4.2
353.08749	32.2
354.09238	1.8
367.10229	3.5
379.10284	22.9
380.10516	1.8
397.11349	26.1
398.11926	1.4
559.14490	17.6
560.15009	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	557.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12672	0.6
55.96916	0.6
57.03323	0.8
59.01253	7.4
61.98699	3.5
69.65469	4.4
71.01248	1.4
72.99156	0.7
85.02789	1.1
91.22200	0.6
101.02348	0.7
109.02849	0.8
113.02325	1.2
121.02849	0.7
133.02846	2.3
135.04407	0.6
147.04437	0.9
149.02321	1.3
152.99548	0.6
160.01582	1.5
161.02290	0.9
175.00301	0.9
175.03815	1.4
188.01054	4.2
189.01825	1.5
197.06111	1.1
200.01086	2.5
201.01845	4.8
209.11847	0.9
210.12102	0.8
211.13345	0.9
212.13701	0.7
217.05092	0.7
219.06555	1.4
225.05531	0.8
237.05699	1.0
241.04971	1.4
245.08029	0.9
253.05055	2.8
265.04907	1.6
267.02908	1.4
269.04538	1.2
270.05249	0.8
281.04520	2.1
282.04730	0.9
284.03122	0.7
285.03888	0.8
297.03961	5.2
298.04788	2.6
309.04034	41.4
310.04456	4.8
311.05536	0.7
325.10767	5.5
330.03857	1.9
335.09628	0.8
337.07196	1.3
351.08759	1.3
352.09488	20.0
353.10275	100.0
354.10611	8.7
557.16602	76.6
558.17053	10.9
558.25171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3101
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
57.03328	2.3
59.01253	32.5
61.98677	1.7
62.93157	1.4
66.46980	1.3
69.03319	6.0
71.01244	14.2
72.99184	2.1
73.02812	4.9
75.00739	3.7
83.01244	4.2
83.04898	1.5
85.02832	6.6
87.00770	3.0
89.02318	4.8
93.03322	5.0
95.01268	4.8
96.95868	1.9
97.02827	4.4
97.17051	1.5
98.19794	2.8
99.00776	4.2
101.02336	8.3
108.02067	4.2
108.15833	1.2
109.02826	4.7
111.00780	2.2
111.04432	1.8
113.02314	6.4
119.03431	2.3
119.04893	2.8
121.02805	2.5
125.02303	3.5
130.51595	1.5
133.02837	1.4
134.03604	4.0
135.04388	5.5
137.02354	4.2
139.00311	2.5
141.04012	1.6
145.02795	1.6
150.03148	1.3
151.03912	3.0
152.01021	5.4
153.01787	3.0
155.03232	1.5
160.01558	4.0
161.02335	3.1
161.04478	3.0
163.03891	3.1
164.04689	1.9
165.05469	2.5
167.03389	1.5
173.04514	2.9
175.00391	1.6
175.03912	4.2
185.00893	4.0
190.02589	2.7
191.05562	3.5
193.04984	3.0
205.05055	2.3
223.05998	2.7
223.13510	1.3
229.00336	1.4
234.07552	1.3
256.03055	1.6
269.04663	2.2
284.03253	1.8
326.09177	1.4
359.27893	1.9
371.24719	1.6
521.33331	48.2
522.33978	6.5
536.17462	1.7
557.31030	100.0
558.31781	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	555.2838
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01241	0.8
60.85219	0.4
63.96106	1.5
66.89350	0.4
69.03315	0.4
69.79565	1.7
69.79988	1.0
71.01251	6.1
73.02818	1.5
73.77512	0.4
78.98456	4.8
79.95602	9.8
79.96073	0.5
80.96384	60.6
81.03321	0.9
85.02818	2.7
87.00726	2.3
93.28207	0.4
94.97949	13.7
94.98556	0.7
96.95872	0.8
97.02831	1.6
98.20497	0.5
99.00745	0.7
101.02308	2.2
106.97954	3.2
112.10342	0.4
114.71879	0.3
122.97456	2.9
125.02344	2.2
127.03875	0.9
134.97455	4.2
136.99039	1.3
148.99014	5.4
152.98508	5.0
164.98534	11.2
167.00064	0.5
169.81424	0.4
206.99619	2.2
225.00673	15.3
226.01085	0.5
238.76208	0.4
255.23181	2.0
272.17038	0.4
294.70795	0.4
299.04395	3.4
555.28369	100.0
556.28699	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	556.312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13918	0.9
57.82260	0.9
59.01248	3.8
61.33726	1.0
67.61256	1.1
69.91466	1.0
71.01234	2.3
78.95782	2.3
89.02318	2.2
96.27190	1.0
101.02345	3.5
113.02291	1.5
151.05251	1.1
152.99478	1.8
184.24478	1.0
190.89618	1.2
211.19490	1.1
235.08221	1.4
241.21640	2.7
253.09241	16.5
277.21722	100.0
278.22061	8.6
310.58890	1.0
342.48682	1.1
456.10379	1.3
556.27631	1.8
557.27911	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	555.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73234	0.5
55.01773	0.5
56.41502	0.5
57.03329	0.6
58.00455	0.6
59.01251	19.8
59.74009	0.5
61.98693	2.7
69.03322	1.2
70.60997	0.5
71.00888	1.0
71.01254	13.6
71.59128	0.9
72.99165	1.1
73.02828	1.0
75.00754	0.7
76.40007	0.5
77.86060	0.5
83.01255	3.0
85.02821	3.6
87.00758	1.4
89.02307	10.4
91.91279	0.5
93.03333	1.0
95.01260	1.2
96.95877	0.9
99.00756	0.9
101.02314	7.5
101.05984	0.8
108.02065	0.7
109.02846	1.4
111.00839	0.6
113.02335	6.6
117.03359	0.6
119.03397	4.0
119.04897	1.2
121.02827	6.3
125.02333	0.7
135.04449	0.8
137.02324	0.8
141.12753	14.4
142.13017	0.6
143.03334	1.1
147.04416	2.7
149.02341	34.6
149.05855	0.7
150.02724	0.8
153.01804	0.7
163.03920	0.6
164.04700	20.0
165.05013	1.3
169.12233	3.7
171.10199	2.4
171.13766	0.9
175.00299	2.6
179.03397	0.5
179.07042	1.9
183.13817	1.9
187.13319	37.1
188.13664	1.8
190.02603	5.9
191.03227	0.6
193.05037	0.6
205.05022	7.2
208.03688	0.9
209.11743	0.7
211.13362	1.5
214.43401	0.5
217.00229	0.7
223.06065	29.5
224.06418	1.7
229.14571	1.0
269.04584	1.2
285.03958	0.7
331.17529	2.6
349.18652	100.0
350.19009	9.3
421.67865	0.6
484.31314	0.6
555.17322	0.8
555.25085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56294	0.2
57.03308	0.2
59.01251	1.9
61.65042	0.2
61.98692	0.5
67.01772	0.3
69.03323	3.5
69.51018	0.8
69.51442	1.0
71.01257	1.0
72.99180	0.3
83.01263	0.4
83.04911	0.4
85.02821	0.7
87.00768	0.3
89.02315	0.5
89.03845	1.3
93.03349	0.6
95.01273	1.1
96.95868	0.7
97.02830	0.8
98.20609	0.4
99.00752	0.7
101.02319	0.4
102.94627	0.2
106.04110	0.3
107.23321	0.2
108.02058	0.7
109.02821	0.5
113.02330	0.9
115.62352	0.2
117.03349	6.1
118.03698	0.3
119.04911	0.7
121.02834	2.4
123.00739	1.4
123.04401	0.6
125.02333	0.5
129.01799	0.3
133.02843	0.6
134.03624	64.3
135.00806	0.3
135.04013	2.0
136.01541	0.4
137.02336	1.7
141.01828	1.8
145.02905	0.3
147.04529	0.3
149.02341	1.7
149.05972	6.8
150.03149	2.2
151.03888	0.3
153.01781	0.7
154.88736	0.3
155.03391	0.3
158.62454	0.3
160.01563	0.8
161.02275	0.4
163.03903	0.7
164.04659	0.5
165.05453	2.0
166.99805	0.4
167.03391	0.5
173.04504	0.4
175.03879	1.1
178.02592	3.6
179.03406	1.1
180.04076	0.4
185.00807	1.4
190.02568	0.5
192.04271	0.4
193.04980	100.0
194.05313	5.1
195.06544	1.1
223.06113	0.4
245.08119	0.5
283.09610	0.4
285.04175	0.3
325.10876	0.3
329.13824	0.4
341.08627	0.3
351.21597	0.5
361.05624	0.7
375.21710	0.3
379.06525	0.6
507.20190	2.4
508.20526	0.3
555.21423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71923	1.0
52.11926	0.9
57.03309	1.1
57.18668	0.8
59.01254	4.8
65.17640	0.8
68.99664	1.0
69.03307	4.8
71.01255	7.0
72.99172	1.9
73.02820	2.1
75.00742	1.5
76.66988	0.8
79.86961	0.8
81.03341	1.5
83.01269	1.2
85.02828	6.8
87.00737	5.0
89.02325	2.6
91.01760	1.3
93.03336	5.8
95.01261	16.6
97.02831	4.8
99.00759	2.7
101.02342	3.3
107.01273	1.1
107.04874	1.5
108.02047	80.4
109.02856	24.7
111.00771	1.5
113.02343	3.1
119.01245	2.4
119.03371	1.0
121.02842	9.0
123.00768	13.7
123.04387	2.7
124.01540	2.4
125.02336	5.6
133.02863	1.8
133.99986	2.3
134.03578	1.2
135.00735	4.5
135.04410	5.4
136.01573	2.6
137.02332	5.3
139.00279	3.1
140.00990	1.0
141.01826	5.3
147.00777	3.5
149.02385	5.9
150.03110	4.1
151.00233	3.3
151.03889	4.9
152.01054	100.0
153.01845	28.3
153.05428	5.6
154.02176	2.2
156.00555	1.1
159.90407	1.0
161.02367	1.3
161.99484	1.7
163.00302	5.8
163.03946	3.1
164.01051	2.3
164.04649	3.2
165.01805	3.2
165.05458	1.4
166.02641	2.3
166.04953	2.7
166.99748	8.2
167.02173	1.2
167.03374	6.9
168.00545	6.2
169.01047	1.1
169.04993	1.5
173.04587	1.2
175.00334	1.8
175.03923	1.7
176.01134	1.7
177.01860	4.1
178.02602	3.0
178.99869	4.9
179.03409	9.4
179.07065	1.0
181.01477	1.2
183.06454	1.2
185.00842	1.4
190.02666	3.4
190.99760	3.4
191.03432	1.8
191.05534	2.0
193.04959	3.2
194.02147	2.5
195.02890	2.6
197.04404	1.8
202.28922	1.1
205.01311	3.2
205.04979	3.9
209.04659	2.0
211.06052	2.1
222.01567	1.2
223.06087	4.6
234.09517	1.1
237.04005	2.5
247.06000	1.1
255.02820	1.0
297.06137	11.7
298.06247	1.1
315.07199	46.6
316.07718	2.1
331.06705	3.3
344.05493	1.0
385.07974	1.5
489.06467	1.9
493.09763	2.9
507.11353	2.8
509.12805	6.7
520.12219	4.5
521.08350	4.3
535.10809	5.7
552.31158	1.2
553.11548	10.6
553.18262	1.5
553.31854	4.5
554.12671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
71.57751	58.6
75.98047	44.2
76.44501	43.6
94.26830	36.3
191.05777	51.4
279.23178	47.6
355.74170	44.2
361.70435	41.5
374.72565	49.2
415.73810	49.0
551.29669	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	551.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	11.4
59.84485	0.4
70.15620	1.4
71.01244	2.2
73.02822	0.7
76.96399	0.4
83.66859	0.3
85.02815	0.7
89.02322	2.6
101.02322	2.9
113.02348	1.1
119.03355	0.5
133.04967	0.6
161.04466	1.2
190.87474	0.4
235.08195	2.8
238.67877	0.4
253.09273	11.5
254.09619	0.6
255.23277	100.0
256.23630	8.8
284.41556	0.4
316.60611	0.4
514.44452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
59.01247	15.4
60.01591	0.3
60.73743	0.3
71.01240	2.4
71.57893	0.5
73.02831	0.9
74.76830	0.3
83.01243	0.5
85.02816	0.8
85.27312	0.3
87.00709	0.6
89.02320	1.8
93.76772	0.3
101.02319	3.1
103.03856	0.4
105.72155	0.4
113.02308	1.5
119.03400	0.8
133.04918	0.4
135.00720	0.4
143.03426	0.6
153.01822	0.5
161.04463	1.1
232.40291	0.4
234.01511	0.3
235.08160	2.4
253.09267	12.7
254.09641	0.5
255.23267	100.0
256.23611	8.0
491.32199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51534	0.2
55.01746	1.2
57.03323	4.2
58.00468	0.9
59.01248	19.4
60.31730	0.2
67.01752	1.1
68.99696	1.4
69.03321	1.7
69.24226	1.1
69.24650	1.6
71.01250	25.3
72.01597	0.5
72.98770	0.4
72.99179	6.2
73.02814	1.8
75.00743	21.1
76.01077	0.3
81.03333	0.7
83.01260	1.2
83.04891	0.8
84.02047	0.6
85.02820	28.8
86.03172	0.4
87.00748	10.0
89.02312	7.9
91.01735	0.3
91.03873	1.8
93.03323	1.5
95.01258	6.9
97.02818	0.5
97.06445	0.4
99.00754	11.6
99.04386	0.4
100.01056	0.3
101.02318	1.6
103.00248	3.0
108.02053	0.6
109.02832	2.1
111.00769	1.4
111.04382	0.6
111.08022	2.3
112.01524	0.6
113.02324	36.9
114.02650	0.9
115.00264	2.4
117.01815	3.2
119.04947	0.4
121.02790	0.4
122.37888	0.2
129.01820	2.8
131.03377	1.1
133.02794	0.5
135.00797	1.1
135.04399	1.3
137.02325	0.6
139.00249	0.9
149.04491	0.7
150.03172	0.4
152.01007	0.3
153.01842	1.9
155.03380	0.4
157.01302	1.8
160.01564	0.4
161.02347	1.1
161.04387	0.4
165.05441	0.6
165.12755	19.0
166.05035	0.4
166.13094	1.4
168.00591	0.3
169.05026	0.3
173.04469	1.1
175.00198	0.3
175.02423	3.4
175.03848	0.4
179.03477	0.9
183.13818	56.8
184.14160	2.6
189.04002	0.5
190.02736	0.3
191.05482	0.8
195.06581	0.3
205.07007	1.6
206.41710	0.3
207.05013	1.2
209.11708	2.0
223.06082	0.6
223.08139	0.8
227.12816	6.1
228.13206	0.3
231.05066	1.2
249.06114	21.1
250.06549	0.8
267.07190	54.8
268.07529	2.2
293.04538	1.3
301.16534	3.9
302.16852	0.4
332.18356	0.3
335.07733	0.4
353.08636	0.6
413.08636	0.7
415.19754	1.9
459.18631	1.6
477.19785	2.2
491.21417	0.3
533.22235	2.2
551.23407	100.0
552.23779	13.8
570.89734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
57.03316	4.5
58.00451	0.8
59.01247	22.4
61.98698	0.5
67.01776	1.0
67.45306	0.5
68.99674	1.9
69.03313	2.3
71.01250	29.4
71.59720	0.9
71.60724	0.4
72.99176	6.4
73.02807	2.1
75.00742	20.4
75.06814	0.5
81.03341	0.7
82.21595	0.4
83.01248	2.0
83.04884	0.8
84.01996	0.6
85.02820	28.9
86.03143	0.7
87.00751	9.7
89.01794	0.5
89.02314	8.5
91.03870	1.2
93.03314	1.7
95.01255	5.8
96.01571	0.5
96.92583	0.5
96.95905	0.5
97.02793	0.5
99.00156	0.9
99.00758	12.7
101.02312	2.1
103.00229	2.2
108.02058	1.1
109.02839	1.4
111.00786	1.4
111.08028	2.1
112.01563	0.6
113.02328	36.3
114.02686	0.9
115.00237	2.3
117.01798	2.9
119.03400	0.6
121.02827	0.6
123.00787	0.4
123.04387	0.8
125.02378	0.7
129.01796	2.6
130.02168	0.5
131.03357	1.2
133.02850	0.7
134.03604	0.7
135.04405	1.3
139.00264	0.8
149.02397	0.6
149.04427	0.7
149.05963	0.7
149.90990	0.6
150.03094	1.1
151.03864	0.6
152.01024	1.1
153.01811	0.9
157.01305	0.9
160.01505	0.9
161.02403	1.1
161.04459	0.6
163.03885	0.8
165.05487	1.1
165.12753	18.0
166.13057	1.0
167.03374	1.9
173.04436	1.6
175.02391	3.5
175.03821	0.9
177.01819	1.2
183.13820	53.6
184.14114	2.6
189.03947	0.5
191.05475	1.0
193.05000	1.5
195.06506	1.4
205.07042	1.2
207.05060	1.6
209.11806	2.4
214.51506	0.6
223.08052	0.7
227.12830	5.8
228.13095	0.6
231.05089	1.7
248.88403	0.5
249.06122	18.8
250.06372	1.2
267.07193	55.3
268.07529	3.0
301.16513	4.5
341.10461	0.7
389.13016	0.5
415.19760	2.0
435.94864	0.7
459.18695	0.6
477.19791	1.4
533.22333	2.5
551.23407	100.0
552.23755	13.4
552.31927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.1
57.03323	1.1
58.00460	4.0
59.01252	69.0
67.01748	0.8
69.03329	33.0
69.26621	2.2
69.27044	3.7
70.03654	0.9
71.01254	41.6
71.53943	0.5
72.99178	4.0
73.02821	19.2
77.73750	0.5
79.01764	3.0
81.03321	4.9
83.01252	5.2
84.44084	0.6
85.02337	1.2
85.02827	17.8
87.00752	2.2
89.02320	24.0
91.85677	0.5
93.03370	0.7
95.01261	5.4
97.02834	22.9
98.19803	1.0
99.00773	2.1
99.04345	0.6
101.02325	34.3
101.76217	0.7
103.03890	25.7
106.42781	0.6
107.00543	0.6
107.01272	14.5
108.02057	52.9
109.02860	16.2
109.56589	0.5
113.02328	3.2
115.03894	2.1
119.03395	11.1
121.02835	4.1
123.00790	4.5
125.02342	55.3
126.02661	1.7
127.03895	2.9
131.03352	1.5
135.00780	42.5
136.01120	1.3
137.02345	5.7
143.03413	4.3
145.04982	3.7
151.00314	4.2
151.03900	0.8
152.01060	100.0
153.01874	15.1
156.56619	0.6
163.03900	1.3
163.06032	12.7
197.06017	6.5
205.07130	1.5
213.05501	1.0
229.07082	0.8
242.05757	1.2
243.06606	48.7
244.06964	3.3
247.08247	8.5
248.08687	1.0
307.10385	4.8
317.38956	0.8
370.19656	0.7
439.23962	0.6
443.11929	63.9
444.12378	5.4
507.83487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31390	0.4
55.01754	1.5
57.03321	1.1
58.00467	4.2
59.01247	100.0
60.01595	1.2
69.03340	1.2
71.01250	68.6
71.57585	0.5
71.58003	0.7
72.01601	0.8
72.99178	6.0
73.02814	2.5
75.00739	2.0
83.01226	2.8
83.48537	0.5
85.02821	13.3
87.00748	5.3
89.02312	97.9
90.02663	1.1
92.83453	0.5
93.03327	1.4
95.01247	4.1
96.95861	0.8
97.02832	0.8
99.00755	1.6
101.02316	43.2
102.02676	1.0
105.18002	0.5
108.02051	2.2
109.02845	1.9
111.00710	0.6
113.02325	30.0
113.19949	0.5
114.02652	0.7
119.03382	42.8
120.03691	1.4
121.02860	3.2
122.03636	0.6
123.00755	0.8
123.04418	1.3
125.02323	1.8
129.01831	0.8
131.03387	4.8
133.02823	0.8
133.04951	1.0
134.03587	1.2
135.04414	1.1
137.02312	3.0
138.03059	1.2
139.03893	1.6
141.01686	0.9
143.03400	7.7
149.02359	2.5
149.04463	5.0
149.05740	0.7
150.03108	0.5
151.03876	1.2
152.01028	3.1
153.01779	0.8
153.05399	1.0
158.03673	0.8
159.04367	2.1
160.01498	0.6
161.02275	1.4
161.04456	7.8
163.03928	1.4
164.04642	1.0
165.01920	0.9
165.05370	1.0
167.03391	1.5
173.06021	3.2
174.03108	1.0
175.03934	6.9
176.04501	0.6
177.05547	2.5
177.06827	0.5
179.03183	1.0
179.05528	18.2
180.04126	1.0
181.04916	0.7
183.02818	0.7
187.03940	4.8
187.07497	0.6
188.04578	1.0
189.05432	1.4
189.09062	0.9
190.02591	1.3
190.06252	4.6
191.05453	0.8
191.07011	1.7
193.04953	3.8
194.05714	0.7
195.06566	0.9
198.06776	2.6
199.07564	16.1
200.07883	1.1
202.06218	2.1
203.06953	1.1
204.04126	0.9
205.04968	7.2
205.08618	1.8
207.06567	0.9
208.07219	0.8
217.08568	0.9
219.06520	1.8
220.07364	6.7
221.07735	0.7
223.06085	2.6
224.69778	0.5
225.07506	0.7
227.12819	0.6
235.09738	5.1
242.05592	1.1
243.06577	5.3
250.06381	0.7
263.12653	0.5
278.12201	0.5
279.06360	0.8
283.09698	1.8
295.06030	0.6
295.09750	0.5
296.06693	0.7
308.06677	0.6
311.09247	7.7
312.09454	0.8
326.08154	0.5
326.11575	3.7
327.11942	0.5
341.10205	1.1
341.13824	3.0
356.12415	1.4
359.15002	3.8
371.14951	38.2
372.15298	4.4
551.16895	11.5
551.30585	1.4
552.18964	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.4
65.03831	4.0
67.01754	1.7
68.85451	0.3
69.35790	0.6
69.36200	1.9
71.01260	0.7
73.02825	0.3
78.89114	0.3
83.12423	0.3
85.02805	0.6
89.02316	0.5
91.01767	19.6
92.02121	0.6
101.02311	0.4
103.03887	0.4
108.02047	1.2
109.02828	23.7
110.03155	0.8
119.03375	0.3
125.02375	0.4
130.01871	0.2
135.00769	75.0
136.01109	2.3
152.65479	0.2
153.01831	100.0
154.02171	3.4
163.06107	0.4
175.04034	0.3
199.07254	0.3
243.06552	4.1
297.06207	0.3
443.11902	4.7
444.11917	0.6
567.94452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1766
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
58.73127	0.2
60.96289	0.2
61.59610	0.2
65.00179	0.6
70.38831	0.3
71.45553	0.3
76.87780	0.2
80.02533	0.5
86.15347	0.2
91.01765	12.4
92.02095	0.5
95.01263	0.7
107.01308	0.3
107.04909	0.5
108.02046	14.8
109.02863	3.3
121.02795	0.5
123.00763	4.5
124.01566	0.5
127.73398	0.2
135.00768	12.8
136.01054	0.3
137.02332	2.5
152.01048	14.8
153.01570	0.4
169.06346	0.3
197.06055	1.1
198.06305	0.2
199.07643	0.4
213.05472	1.2
215.07005	0.7
225.05522	0.6
241.05061	0.4
243.06580	100.0
244.06908	6.4
353.10269	0.7
443.12115	0.5
551.17554	5.6
552.18103	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56923	0.6
57.03328	0.9
58.00473	1.8
59.01250	43.7
59.87117	0.6
60.34116	0.5
65.76283	0.5
69.03321	3.9
71.01250	28.4
72.99183	4.6
73.02818	11.4
75.00734	1.5
81.03336	2.4
81.19273	0.7
83.01247	3.3
85.02819	13.5
85.10435	0.6
87.00738	3.2
87.04372	1.1
89.02315	15.4
89.02822	1.0
93.03336	14.2
95.01260	2.0
96.95890	1.2
97.02821	6.8
99.00768	2.7
101.02319	23.5
102.94850	0.5
103.03881	13.7
108.02051	100.0
109.02316	1.6
109.02898	1.8
109.19180	0.5
111.00733	1.2
113.02317	4.8
119.03384	9.4
119.04974	0.9
121.02058	1.0
121.02844	10.3
123.00757	1.4
123.04372	1.6
124.01568	0.9
125.02332	17.1
127.03889	1.6
131.03416	1.0
133.04922	1.5
134.03580	1.3
135.04399	1.9
137.02351	8.1
139.00293	2.9
140.01025	1.7
143.03391	2.9
145.02808	0.7
145.04956	2.2
149.02368	1.4
149.99416	0.7
150.03094	0.7
151.03937	1.2
152.01051	37.8
153.01726	2.2
155.03461	4.1
159.04469	0.7
159.89247	0.6
161.02277	1.3
161.04417	1.0
163.03979	1.0
163.06006	8.4
164.04611	0.9
165.01866	1.1
165.05463	0.8
167.03407	1.6
173.04533	0.8
175.03917	0.8
176.04558	0.7
177.01843	0.9
178.02641	0.7
179.03360	2.3
180.04227	0.8
180.05666	1.1
181.04958	0.7
181.06442	1.3
183.13754	1.1
185.11723	1.2
191.03354	1.3
191.05498	1.6
193.04950	2.5
194.05566	0.7
195.06517	0.9
197.77280	0.6
199.06155	0.6
199.07600	7.2
205.04982	1.7
205.07050	1.4
207.06471	0.9
223.06029	0.9
227.12714	1.6
229.07054	1.0
243.06596	16.0
244.07118	0.8
244.78874	0.7
247.08189	5.9
267.07336	1.0
307.10217	2.4
315.07181	0.9
317.06573	1.1
325.99155	0.6
332.08798	1.9
347.07593	1.4
347.11215	2.3
374.13583	0.8
389.15924	2.4
389.25513	0.6
551.17297	33.5
552.17291	3.7
561.45801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1763
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
57.03296	0.3
59.01249	2.4
59.73333	0.2
60.04974	0.2
65.00179	0.7
69.41672	1.6
69.42087	0.5
71.01254	0.8
72.99184	0.3
73.02813	0.6
73.58604	0.2
75.00756	0.3
80.02551	0.3
81.03332	0.4
83.01202	0.2
85.02814	0.8
87.00748	0.4
89.02325	0.4
91.01761	11.9
92.02130	0.2
93.03313	0.4
95.01257	0.7
99.00750	0.7
101.02339	0.4
107.01261	0.4
107.04923	0.7
108.02044	16.4
109.02137	0.4
109.02842	7.4
110.54917	0.2
113.02316	0.6
119.04900	0.4
121.02827	1.2
123.00760	4.7
123.04359	0.4
124.01555	0.8
125.02353	0.5
134.03636	0.3
135.00771	12.8
135.04361	0.5
137.02339	2.9
137.06053	0.2
139.00175	0.2
141.04138	0.4
146.05954	0.3
149.02325	1.2
150.03142	0.2
151.00230	0.4
152.01047	15.8
153.01854	4.8
155.08548	1.0
157.06554	0.2
163.03886	0.3
165.05486	0.3
167.03403	1.0
168.64900	0.2
175.03819	0.3
177.01875	0.3
179.03331	0.4
193.04999	0.4
195.02888	0.5
197.06058	1.2
199.07520	3.4
200.07951	0.3
205.05034	0.3
209.58096	0.2
213.05544	1.2
215.07059	0.7
221.19196	0.3
225.05290	0.3
241.05084	0.4
243.06578	100.0
244.06927	7.0
245.46663	0.2
248.71306	0.2
249.06100	0.3
259.85785	0.2
265.18030	0.3
267.07135	0.2
278.05661	0.2
285.03983	0.4
301.20178	0.6
313.96439	0.2
365.23459	0.2
377.22385	0.3
443.11823	3.7
444.12540	0.5
489.82394	0.2
551.17859	3.0
551.26862	0.9
552.19977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
55.50466	0.6
56.96823	0.6
57.03344	2.1
58.00477	2.7
59.01248	46.6
67.01771	0.8
68.99718	0.7
69.03329	5.1
69.40956	1.2
69.41371	5.3
71.01251	34.5
72.99181	4.2
73.02818	15.4
75.00761	2.1
81.03335	3.2
83.01261	5.0
85.02820	16.0
87.00738	3.6
89.01915	0.4
89.02313	19.2
93.03329	36.8
94.03678	1.8
95.01279	3.5
96.95890	0.8
97.02830	7.2
99.00748	3.9
99.04391	0.9
101.02324	27.4
103.03886	14.8
107.01250	0.8
108.02048	100.0
109.02312	1.8
109.02884	1.9
111.00745	1.8
113.02335	5.7
115.03907	0.7
119.03383	7.9
119.04918	1.2
121.02832	12.9
123.00754	1.2
123.04408	1.6
124.01529	1.5
125.02325	19.1
127.03896	2.2
131.03362	1.6
133.04951	1.4
134.03592	2.2
135.04396	2.9
136.01567	0.9
137.02344	17.1
139.00240	3.5
139.03879	0.9
140.01035	2.0
143.03413	3.6
145.04926	1.3
149.02293	1.5
149.05908	1.1
150.03148	0.8
151.00183	0.8
151.03882	1.3
152.01053	41.1
153.01649	1.6
155.03415	4.3
160.01535	1.4
161.02310	2.4
161.04451	1.5
163.03891	1.5
163.06038	8.2
164.04643	0.8
165.05453	1.1
167.03366	1.7
168.00557	1.8
173.04436	1.0
176.01015	0.8
177.01863	0.9
177.05522	0.6
179.03352	1.2
179.07018	0.9
180.04114	1.0
180.05649	0.8
181.01309	0.7
181.04903	0.8
181.06384	1.1
183.13808	1.7
185.11673	2.0
190.02673	1.0
191.03351	1.0
191.05432	0.9
193.05014	3.4
194.05717	0.8
195.06685	0.8
197.04343	0.8
199.05829	1.2
199.07545	12.9
200.07872	0.8
205.05042	0.8
205.07039	1.8
208.07272	0.9
223.06026	0.9
225.36703	0.7
227.12715	1.3
229.07153	0.9
243.06606	24.0
244.06769	1.9
247.08218	4.9
249.05904	1.1
267.07104	0.7
297.11215	0.7
301.03436	0.9
307.10251	3.1
317.06387	1.6
318.12543	0.8
332.08765	1.8
347.07123	1.3
347.11139	2.1
371.10858	1.0
371.14893	1.1
374.13306	1.1
389.16251	5.2
390.16617	0.9
435.18463	0.9
460.98483	0.8
481.45541	0.8
551.17200	45.2
551.30548	1.9
552.17920	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	551.1754
Annotation	Alboside I
Peak:m/z	Relative Intensity
58.00474	1.1
58.37923	0.8
59.01247	19.3
67.41145	0.9
69.03315	1.2
71.01251	15.1
71.57615	1.7
71.97419	1.1
72.99174	3.0
73.02821	3.3
73.79303	0.8
75.00740	2.0
76.83488	0.8
83.01238	2.5
85.02825	7.8
87.00746	3.2
89.02312	11.9
89.03812	1.5
93.03338	3.0
95.01281	2.7
96.95896	2.1
97.02835	1.0
99.00775	1.2
101.02336	8.7
103.21527	0.9
105.72751	1.0
108.02029	1.8
109.02838	1.5
111.00725	1.9
111.04386	1.2
113.02306	8.0
117.03350	6.4
119.03378	3.9
119.04910	2.3
121.02827	3.5
122.06004	0.9
123.00800	1.0
123.04382	2.5
125.02309	3.3
127.62904	1.0
128.03407	1.0
129.01833	1.1
132.02055	13.4
133.02829	1.7
134.03627	71.4
135.04306	2.8
136.64601	1.0
137.02333	5.0
139.03900	2.9
141.04073	0.8
143.03389	1.2
145.02869	5.6
146.03607	1.9
147.04387	2.9
149.02365	4.6
149.05949	10.6
150.03122	7.3
151.03819	2.5
152.01088	1.2
153.01765	1.5
159.04343	1.1
160.01564	44.7
161.02390	8.9
161.04428	2.0
161.05887	1.1
162.03133	7.0
163.03893	2.7
164.04695	1.5
165.01848	2.2
165.05484	8.9
167.03392	1.9
173.04489	1.3
175.03912	53.4
176.04466	4.3
177.05469	5.8
178.02655	7.0
179.03409	1.0
179.05574	1.8
180.04227	1.5
181.05028	1.6
191.03380	0.9
191.05534	3.4
191.07091	2.7
192.29285	1.1
193.04980	100.0
194.05345	4.5
195.06583	8.8
199.07582	1.5
205.04964	1.4
207.06654	1.6
209.04500	2.6
211.08748	0.9
217.05067	4.5
219.06581	2.8
221.08093	1.7
224.09380	1.5
235.06096	6.0
238.07355	1.0
239.05504	2.8
239.08105	2.5
239.11804	1.6
252.08940	1.1
252.10248	1.5
253.09721	2.5
265.06787	1.9
266.06903	3.1
267.07153	1.3
267.11359	4.8
269.06885	1.3
274.69757	0.8
279.07782	2.8
280.08469	13.0
281.08713	1.4
284.12604	1.0
295.10883	34.0
296.11151	3.0
313.11551	1.0
327.10211	1.0
327.13477	24.1
328.13840	2.1
339.09967	8.7
340.10205	1.1
341.10342	3.8
355.10577	1.3
357.11545	3.0
371.07718	2.1
371.12457	41.4
372.12958	4.1
389.12360	3.0
431.13998	1.5
533.16919	7.3
534.16980	1.8
551.18317	19.4
552.18744	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	551.1741
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
55.33216	0.9
59.01248	16.2
68.90835	0.8
71.01252	12.9
71.07482	2.0
72.99175	2.9
73.02828	1.8
75.00753	1.0
76.97950	0.8
81.03335	1.3
83.01269	2.3
85.02824	6.7
87.00736	2.6
89.02316	8.9
93.03368	2.1
95.01255	1.6
96.95894	2.0
97.02830	1.3
99.00784	1.7
101.02323	6.5
103.03891	1.1
108.02054	3.9
109.02833	2.4
111.00851	1.1
113.02341	7.2
115.03905	1.0
117.03329	5.5
119.03417	2.8
121.02824	4.1
123.00771	1.5
123.04378	1.7
123.88212	0.9
124.01579	1.0
125.02356	3.9
128.03481	1.0
129.01862	1.4
132.02072	10.2
132.27444	0.8
133.02872	1.5
134.03632	69.4
135.04358	2.8
136.01532	1.1
137.02356	5.4
139.03899	3.2
143.03366	1.3
145.02823	4.2
146.03636	1.4
147.04398	3.1
149.02359	4.2
149.05981	9.5
150.03143	4.2
151.03951	2.4
152.01022	2.5
153.01854	2.2
160.01570	45.7
161.02380	7.6
161.04434	1.3
162.03171	8.6
163.03931	1.2
164.04739	1.8
165.01828	4.1
165.05504	5.7
167.03397	2.0
173.04494	1.9
175.03923	61.3
176.04430	3.7
177.05475	7.0
178.02654	6.2
179.03378	1.7
179.05605	1.4
180.04184	1.7
183.02904	1.2
189.05576	1.3
190.02666	2.3
191.05528	4.3
191.07098	2.6
193.04990	100.0
194.05316	4.8
195.06538	5.3
199.07544	2.5
205.05072	1.2
217.05054	3.3
219.06583	2.3
221.04526	1.1
221.08345	1.0
223.06000	1.2
235.06125	5.1
243.06561	1.6
249.05632	1.0
252.09042	1.0
265.06979	1.2
267.11404	1.1
269.06531	1.2
280.08524	2.7
295.10831	9.0
313.05649	1.5
313.11374	1.1
327.13379	6.2
331.06860	1.2
339.10083	3.5
341.10300	1.7
345.08368	2.0
355.10965	1.0
357.11765	2.0
371.08008	1.5
371.12302	9.8
389.12543	2.3
431.13895	1.4
480.02518	1.0
533.17035	5.9
551.18231	14.4
552.17682	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	551.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03310	4.4
59.01248	12.9
68.99666	1.3
69.03325	4.2
70.46096	2.9
71.01246	11.7
72.99180	2.8
73.02816	4.5
75.00742	1.9
81.03329	13.0
83.01256	13.1
85.02814	8.8
87.00721	3.3
89.02339	6.7
91.05371	1.1
93.03325	7.8
95.01253	8.1
95.04897	8.6
96.95886	1.8
97.02831	10.7
99.00797	1.3
99.04372	8.9
101.02323	6.4
101.73292	1.1
106.55791	1.3
107.04917	2.9
108.02052	2.3
109.02846	9.4
111.00744	1.9
111.04392	8.0
112.74162	1.2
113.02322	10.4
113.58648	1.3
117.03342	4.6
119.03413	1.6
119.04913	5.3
121.02800	7.6
121.06509	1.6
123.00746	2.3
123.04401	25.5
125.02327	50.9
125.05983	1.7
126.02695	1.3
128.03410	2.0
133.02936	2.1
133.06435	1.2
134.03627	11.6
135.04408	8.1
137.02330	21.5
137.05936	4.2
138.03148	1.7
139.03889	7.2
145.02896	1.7
145.25964	1.2
147.04399	7.6
149.02324	9.0
149.05951	5.0
150.03081	5.4
151.03918	9.0
153.01790	2.5
153.05467	5.3
155.03395	2.1
160.01555	5.4
161.02357	2.7
163.00182	1.6
163.03894	4.3
164.04643	4.5
164.11365	1.2
165.01790	3.1
165.04163	1.9
165.05446	10.4
166.02667	3.0
167.03410	60.1
168.03877	1.5
175.00314	2.0
175.03885	9.3
176.04517	1.9
177.01817	4.0
177.05434	3.0
178.02606	4.7
179.03418	19.3
181.04929	4.2
189.05463	1.9
190.02628	5.3
191.03406	3.9
191.05502	10.0
193.04970	20.5
195.06516	6.1
197.04469	23.3
198.04776	1.2
205.04988	6.1
206.02142	1.3
209.04486	77.6
210.04819	5.4
217.05238	2.0
221.04500	6.8
223.06044	7.9
233.04486	1.6
239.05565	100.0
240.05914	5.7
243.06622	3.4
250.59471	1.3
251.05525	6.1
257.06720	1.4
263.05383	1.9
265.07016	1.5
266.91974	1.4
269.06638	54.1
270.06979	3.9
281.06613	13.1
293.06686	1.8
299.07764	25.4
300.07990	2.6
307.04428	2.0
311.07712	14.4
329.08774	14.9
347.11081	1.6
371.07443	21.0
387.20117	1.7
388.20575	2.6
389.10928	16.3
389.20810	2.2
390.11499	1.6
401.08789	20.5
402.08914	1.9
431.09573	6.7
443.09796	4.4
456.63708	1.4
461.10892	18.7
462.10837	3.4
473.10855	3.4
491.11768	4.1
551.13599	5.2
551.19543	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	549.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
56.41103	0.2
56.98709	0.2
57.03322	2.7
58.00462	0.3
59.01248	100.0
60.01579	0.8
61.98699	0.5
69.03323	0.8
69.17082	0.2
70.08255	0.8
71.01250	12.9
71.04897	0.2
72.99185	0.6
73.02816	3.4
75.00750	0.5
77.33429	0.2
78.95768	0.3
79.40982	0.2
81.03348	0.3
83.01251	4.1
85.02818	8.2
85.06475	0.4
85.99979	0.4
87.00746	1.0
89.02317	1.7
93.03345	0.4
95.01257	1.8
96.95908	0.5
97.02834	0.8
99.00757	2.2
101.02319	8.7
108.02048	0.5
109.02837	0.3
111.00777	1.3
112.01569	0.8
113.02322	7.0
115.03917	0.8
119.03387	0.4
119.04922	0.3
124.01540	0.4
125.02300	1.4
129.01843	0.6
133.02829	0.3
134.03664	0.3
135.04385	0.3
137.02335	0.6
141.01866	0.2
143.03366	1.6
150.05441	0.2
152.01132	0.4
152.09854	0.2
159.02898	1.0
160.01558	1.0
160.57306	0.2
161.02078	0.3
161.04439	2.2
165.12674	0.2
167.03435	0.3
168.00638	0.2
175.03960	1.2
177.01840	0.9
183.13792	0.2
190.02608	0.2
193.05034	0.4
205.04990	0.2
211.17000	0.3
213.03653	0.2
213.18533	2.3
279.23306	0.2
285.04001	0.4
299.25980	2.3
300.26056	0.2
327.28970	0.6
331.07483	0.3
345.30048	6.6
346.30368	0.8
357.29861	0.2
387.31195	0.4
429.15631	0.4
441.32010	0.5
444.16013	0.2
459.33255	0.5
471.33313	0.3
489.34296	45.6
490.34641	6.8
498.30145	0.2
502.19489	0.2
507.35330	23.3
508.35553	2.7
549.22577	0.6
549.36066	1.0
550.36243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.5
57.03326	1.3
57.34900	0.1
57.50783	0.1
58.00460	0.2
59.01254	100.0
60.01580	1.2
61.98696	0.2
69.03333	0.5
69.28728	0.9
69.29148	0.3
71.01256	8.2
72.01595	0.2
72.99194	0.4
73.02190	0.1
73.02823	1.5
75.00784	0.2
83.01257	2.1
85.02827	4.8
87.00758	0.6
89.02318	1.4
93.27046	0.1
95.01266	1.3
97.02845	0.3
99.00761	1.0
101.02322	3.7
108.02067	0.1
109.02910	0.2
111.00805	0.3
112.01591	0.2
113.02335	7.4
115.03889	0.3
119.03395	0.3
119.62488	0.1
124.01556	0.1
125.02341	0.6
127.11153	0.6
129.01796	0.2
135.04477	0.2
143.03416	0.9
152.01060	0.3
153.12848	0.2
159.02888	0.3
161.04466	1.9
172.05180	0.1
179.05533	0.1
179.07077	0.1
182.08234	0.1
256.39682	0.1
266.97491	0.1
284.56824	0.1
299.25903	1.0
300.26074	0.1
327.29092	0.2
345.30087	5.2
346.30392	0.5
357.30249	0.1
365.65277	0.1
389.29004	0.3
397.55621	0.1
426.44034	0.1
441.32248	0.3
459.33517	0.2
489.34341	19.6
490.34677	3.0
507.35373	6.0
508.35641	0.9
549.22729	0.2
549.36383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79849	0.8
56.33702	0.9
59.01245	17.3
60.25655	0.9
61.40552	0.8
71.01249	2.1
73.02802	0.9
89.02324	3.8
101.02326	2.5
102.34599	0.8
113.79062	0.9
138.41254	1.0
223.77243	1.1
229.57407	1.0
235.08238	1.7
253.09300	13.8
253.21693	100.0
254.22003	7.4
281.83032	1.0
419.29202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.2
61.54163	0.8
71.01253	3.2
71.57727	1.1
73.02798	0.9
80.51095	0.8
85.02822	1.4
89.02309	2.8
101.02327	3.6
113.02341	1.1
185.72392	0.7
235.08199	1.8
253.09274	11.3
253.21687	100.0
254.21974	7.2
279.47879	0.8
343.14737	0.9
385.12277	1.0
465.49652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73172	0.3
57.89071	0.2
58.00449	0.2
59.01249	4.7
61.98694	0.3
69.47381	2.1
71.01245	2.6
83.01259	0.4
83.45924	0.3
85.02823	0.9
87.00734	0.5
89.02315	1.3
93.03342	0.4
95.04887	0.3
99.00773	0.3
101.02307	1.7
105.03339	0.5
107.04929	0.4
108.02003	0.4
108.15739	0.2
109.02830	0.6
113.02334	1.1
115.01759	0.3
117.03349	1.0
119.03414	0.3
121.02876	0.4
123.04465	0.4
132.02071	2.1
133.02849	34.9
134.03589	1.8
135.04414	20.0
136.01530	0.2
136.04779	0.8
137.02347	1.1
139.03885	0.3
152.01033	0.4
161.02351	100.0
162.02692	4.4
163.03938	0.5
175.02472	0.4
175.03886	0.3
176.04620	0.3
178.02585	0.4
179.01826	0.6
179.03410	12.0
180.03711	0.6
181.08669	0.3
225.14851	0.7
248.59894	0.2
285.04089	0.8
286.04422	0.5
287.04736	0.6
301.07196	0.7
334.09781	0.3
375.40833	0.3
387.27679	0.4
517.08350	0.5
549.23383	52.5
550.23761	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	549.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47947	0.1
57.03321	0.1
58.41288	0.1
59.01252	1.0
66.13618	0.1
69.53070	0.7
71.01232	0.6
78.95769	0.8
79.95159	0.2
79.95604	2.3
83.01293	0.1
85.02827	0.7
87.00738	0.1
89.02324	0.2
93.03345	0.2
95.01283	0.1
96.95886	100.0
97.02850	0.1
97.95822	0.3
98.02353	0.5
101.02305	0.3
101.21040	0.1
108.02017	0.2
109.02818	0.2
111.00727	0.1
113.02332	0.3
119.04905	0.1
121.02856	0.1
123.00765	0.1
123.04387	0.2
125.02348	0.1
129.01866	0.2
132.02069	0.2
134.03621	0.4
135.04431	0.6
136.04820	0.2
137.02309	0.3
146.03636	0.2
147.04420	0.5
149.02345	0.2
151.03807	0.1
153.01816	0.2
155.03387	0.1
156.36607	0.1
160.01527	0.4
161.02327	0.2
161.04535	0.1
163.03952	0.3
166.82985	0.1
168.00500	0.1
173.04466	0.4
175.03992	0.2
178.02667	0.2
179.03395	0.1
190.02571	0.1
191.03699	0.1
191.05493	0.5
193.05013	0.4
194.05341	0.1
205.05017	0.2
241.05017	0.2
248.07248	0.1
273.47208	0.1
285.04016	0.2
331.06958	0.1
369.78461	0.1
387.20108	0.1
490.34213	0.3
549.15735	0.5
549.24249	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	549.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28328	0.4
57.03327	0.8
59.00985	0.5
59.01254	8.0
61.98678	0.5
64.99879	0.4
67.76926	0.4
69.03320	0.7
71.01257	4.4
72.99163	0.9
73.02811	0.9
75.00733	0.4
79.00426	0.4
83.01260	0.5
85.02834	2.0
87.00751	1.4
89.02309	1.9
93.03357	1.8
95.01254	0.9
99.00771	1.0
101.02309	2.9
105.03329	0.6
107.04945	0.5
108.02044	0.8
109.02838	1.8
111.00780	0.7
113.02339	3.0
117.03353	1.1
119.03414	0.6
119.04916	6.5
121.02859	0.8
122.03664	0.4
123.00734	0.6
123.04427	0.9
125.02342	1.7
132.02063	1.6
133.02850	33.9
134.03706	2.7
135.04419	18.3
136.05159	1.5
136.07571	0.5
137.02328	3.9
140.07065	0.7
147.04343	0.8
149.02347	1.1
149.05968	0.5
150.03052	0.6
151.00266	0.9
151.03896	0.7
152.01100	0.9
153.01884	1.3
160.01534	1.0
161.02351	100.0
161.28943	0.4
162.02658	4.3
163.03920	4.8
164.04630	0.6
165.01797	0.5
165.05367	0.6
167.03419	1.7
167.78708	0.4
168.00563	0.5
173.04491	0.8
174.55891	0.4
175.00266	0.5
175.02409	0.4
175.03856	0.7
178.02628	0.5
179.03424	12.1
180.04115	2.7
180.06589	0.7
181.01337	0.7
181.04976	0.9
181.06898	0.4
183.13773	0.4
190.02638	1.0
191.05563	0.8
193.05049	0.8
195.89021	0.4
197.11891	0.4
201.10851	0.4
205.04944	1.6
225.14946	0.8
241.08649	1.5
249.05974	0.6
285.03897	0.6
315.07507	0.4
328.08151	0.4
463.63211	0.4
489.30658	0.5
507.40039	0.4
549.23529	62.0
550.23901	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.1
60.50877	0.2
63.13325	0.2
67.28880	0.2
70.45331	0.3
70.45677	0.7
77.03828	1.7
93.03366	0.4
104.42503	0.2
118.41547	0.2
121.02838	100.0
122.03153	3.3
128.13716	0.2
165.01834	51.1
166.02188	2.1
180.05727	0.5
181.06496	2.6
186.96880	0.2
197.05998	2.2
207.04488	0.8
207.08076	0.4
223.03751	0.2
223.84769	0.2
225.05540	1.3
251.07166	0.5
257.09677	1.0
301.08667	0.2
313.07147	1.2
313.18051	0.3
334.07117	0.3
357.06161	0.6
383.07687	0.6
394.86383	0.2
417.09717	1.6
418.10004	0.4
492.06323	0.3
505.11383	1.6
549.10345	26.1
550.10638	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	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23060	2.8
52.24600	2.7
55.01727	4.2
57.03323	5.0
59.01247	61.0
65.00196	7.2
69.03322	3.1
69.31818	10.9
69.32233	20.6
71.01251	38.6
72.99171	7.8
73.02817	4.5
75.00751	9.4
76.17456	3.1
81.09772	3.3
82.94859	3.3
83.01237	3.6
85.02814	23.2
87.00761	9.5
89.02306	42.0
93.03350	8.0
96.95344	2.5
96.95868	18.1
99.00767	6.3
99.01897	3.8
101.02324	12.9
102.85970	3.1
107.01258	5.0
107.57700	2.9
109.02845	4.3
111.00786	4.2
113.02316	23.0
114.51020	3.8
119.03384	11.5
119.04900	3.3
121.02856	7.5
124.01546	3.5
125.02345	5.2
129.01852	8.6
133.02841	16.4
134.03680	7.6
135.04395	11.2
136.01546	8.4
137.02330	11.2
141.04073	27.1
147.04408	9.7
149.02332	16.4
151.00267	13.3
151.03903	12.7
152.01036	5.3
153.01834	6.6
160.01538	6.5
161.02373	24.1
161.04442	6.5
163.03886	5.3
164.04713	4.8
165.01743	4.6
166.02527	4.8
173.04527	4.1
175.03897	6.6
177.01859	5.2
179.03348	7.0
181.04990	6.3
190.08154	3.0
191.05515	16.3
193.05005	5.9
201.01991	4.8
204.11522	4.1
205.05144	3.2
215.03326	3.2
227.03473	3.8
235.93108	3.2
243.02879	3.1
249.06169	7.4
255.02884	4.4
256.03516	3.1
257.04422	5.6
267.07315	15.4
268.07324	8.7
271.02356	6.0
271.06155	5.9
280.07657	3.8
285.04318	4.2
296.06946	3.7
299.02145	3.7
300.02719	31.8
301.03503	100.0
302.03928	6.9
303.09433	6.7
308.06918	10.8
309.07581	4.7
313.10809	5.2
322.08389	4.4
323.09164	13.7
324.06329	6.5
324.09796	5.6
331.11685	3.9
338.11514	6.5
339.08707	40.8
354.11066	11.8
369.09262	5.0
369.13406	60.8
370.13876	7.6
383.07721	4.6
387.14600	15.9
505.09760	83.3
506.10205	8.8
549.15295	8.6
549.22668	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	549.0883
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.84047	1.2
59.01241	3.5
65.00198	7.0
66.22958	1.0
70.15623	2.2
70.16007	2.8
71.01247	1.7
83.01267	1.4
85.02839	2.2
87.00726	1.3
94.59254	1.4
95.24028	1.3
107.01247	4.6
108.02074	2.8
109.02828	1.8
109.99940	1.2
111.00764	1.7
113.02330	2.1
121.02834	2.6
123.00750	2.5
125.02306	4.5
127.01589	1.4
133.02829	9.3
134.03616	1.2
135.00722	1.4
135.04404	3.0
136.98682	3.6
137.02332	3.2
139.00240	2.4
143.91167	1.1
148.01489	1.8
149.02309	9.6
151.00266	16.7
152.00919	2.7
153.01863	1.5
160.01581	1.5
163.00291	1.2
164.01054	1.2
164.98093	1.9
165.01820	2.4
166.99733	2.2
168.02965	1.3
172.05130	1.4
175.00368	1.5
175.03906	2.0
178.99878	1.5
187.03867	1.4
191.03415	3.5
192.00471	1.4
193.04984	1.7
199.03838	3.4
199.14017	1.1
200.04570	1.4
201.01863	2.0
201.05431	1.1
215.03355	3.3
227.03346	4.3
228.04024	1.6
243.02928	2.1
244.43312	1.3
255.02890	6.2
256.03665	3.2
257.04517	3.3
271.02399	4.2
272.02856	7.0
283.02396	2.7
285.03967	4.5
299.01932	5.5
300.02676	40.1
301.03522	100.0
302.03839	8.1
309.35800	1.7
463.08545	2.7
505.09866	52.3
506.10162	7.7
520.37280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01493	0.2
55.01753	1.4
57.03327	2.2
59.01252	100.0
60.01589	0.7
61.98705	0.4
67.01752	0.2
68.99680	0.2
69.03335	0.8
69.17754	0.2
69.22453	0.2
69.28921	0.5
69.29344	1.5
71.01255	13.1
71.04892	0.4
71.66995	0.2
72.99197	0.9
73.02818	4.7
75.00721	0.4
78.95757	0.2
81.03326	0.3
83.01259	4.4
85.02827	8.3
85.99988	0.5
87.00753	1.3
87.04439	0.2
89.02319	1.2
93.03354	0.4
93.06979	0.7
95.01265	1.5
96.95908	0.3
97.02814	1.1
97.06525	0.2
99.00755	2.6
101.02321	10.1
108.02074	0.3
109.02841	0.5
111.00765	1.2
111.08083	0.4
112.01578	0.5
113.02330	6.5
114.02680	0.4
115.03918	0.4
119.03432	0.3
119.04897	0.3
124.01562	0.6
125.02356	1.8
129.01855	0.4
132.02069	0.3
133.02905	0.2
134.03662	0.7
135.04411	0.7
137.02354	0.6
141.01849	0.3
143.03413	1.9
143.10706	1.2
145.02902	0.2
149.02287	0.3
152.01086	0.5
153.01891	0.3
159.02899	1.3
159.17957	0.2
160.01591	1.5
161.02315	0.3
161.04466	3.9
161.05772	0.3
163.04012	0.2
165.79913	0.2
167.03444	0.2
173.04512	0.5
175.00311	0.2
175.02463	0.3
175.03876	1.6
183.13837	0.3
190.02518	0.2
191.03851	0.2
191.05524	0.5
193.05052	0.7
197.15450	0.3
205.03445	0.2
211.13225	0.3
213.18604	0.6
214.18729	0.2
223.06177	0.2
250.01700	0.2
279.23346	0.3
284.03333	0.3
285.04074	0.6
286.04391	0.5
287.14786	0.3
293.20465	0.4
297.24399	1.5
298.24548	0.2
305.16074	0.4
309.20422	0.2
325.27667	0.5
330.07394	0.2
343.28516	4.5
344.29025	0.3
357.22751	1.1
375.23877	2.1
379.10272	0.3
385.29831	0.3
427.14111	0.4
427.30786	0.2
439.30737	0.4
447.09247	0.2
457.31754	0.4
469.31732	0.7
487.32773	29.3
488.33078	4.2
505.33813	17.0
506.34100	2.5
547.22211	0.4
547.35352	0.4
548.22546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03298	6.5
59.01247	42.6
61.98699	6.2
69.93628	14.2
69.94031	7.1
71.01254	14.6
72.85996	4.7
73.02802	6.2
74.90014	4.3
83.01249	5.3
83.04892	5.2
85.02813	13.6
87.00750	5.7
89.02327	10.5
93.03313	8.5
99.00783	4.2
101.02311	8.9
113.02329	10.7
120.57227	4.9
121.02847	4.7
123.90833	4.9
135.04466	6.0
160.01567	7.8
175.03882	8.9
176.01683	4.2
193.04956	7.1
197.11794	6.7
209.11800	10.1
211.13371	12.9
253.09193	29.6
268.43491	4.4
285.70905	4.4
293.21207	8.4
311.22299	100.0
410.42850	4.8
443.78616	4.4
501.20349	5.4
505.85352	4.7
547.26636	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.2
58.00436	1.1
59.01248	42.1
60.99215	0.8
61.09266	0.7
65.30450	0.6
69.03319	2.8
69.26839	0.7
70.44994	0.6
71.01247	21.0
71.58871	1.1
72.99184	1.7
73.02812	3.6
75.00741	3.2
83.01270	2.5
85.02828	10.5
87.00752	5.0
89.02312	100.0
90.02660	1.5
90.43162	0.6
93.03312	4.4
95.01269	1.7
96.95883	21.8
97.02843	1.1
98.95469	5.3
98.96310	1.2
99.00740	1.5
101.02315	10.6
107.01256	0.8
107.04918	0.9
108.02049	2.2
108.92840	0.6
109.02831	2.2
111.00756	1.0
113.02317	12.3
114.02681	0.8
115.00246	0.8
117.03337	1.4
119.03387	8.5
119.04897	2.4
121.02821	2.3
123.04385	1.4
125.02307	1.8
128.03381	1.4
129.01826	0.9
131.03387	5.1
132.02036	1.2
133.02818	2.8
133.04955	8.4
134.03595	3.5
135.02911	1.4
135.04393	6.6
137.02330	6.5
142.09468	0.7
143.03386	3.3
143.04446	1.2
145.02855	2.7
146.03627	3.2
147.04396	1.2
149.02370	2.9
149.04480	1.2
149.05936	1.0
150.02974	0.8
151.00269	2.2
151.03964	1.1
152.00978	2.4
153.01833	1.8
160.01564	3.0
161.02386	5.9
161.04485	10.1
161.05884	1.4
163.03897	3.6
163.11359	0.6
164.04683	4.2
165.05438	0.6
167.03383	1.0
169.01321	0.9
173.04430	3.5
175.00287	4.5
175.02480	1.4
175.03833	4.0
176.01044	1.5
177.01868	5.7
177.05394	0.8
178.02455	0.7
178.99767	1.6
179.03416	4.1
179.05525	11.3
179.07089	4.0
185.00821	1.0
187.11188	1.6
190.02623	8.7
191.03439	2.7
191.05542	9.4
191.07132	1.1
192.05937	1.0
193.04977	4.8
203.03378	2.3
205.05009	9.6
205.12215	0.7
211.03934	5.7
219.10245	0.8
223.06099	1.9
249.05984	1.0
251.07527	0.9
267.07239	1.9
267.12570	0.7
269.04636	1.2
272.08789	1.2
284.03036	0.9
285.04010	2.2
293.04590	1.6
299.01907	1.8
306.07593	3.7
311.05679	0.8
313.03506	1.3
325.10736	0.9
328.05844	0.9
337.05389	1.1
337.09119	1.1
343.08234	2.7
352.08124	1.5
353.08548	2.4
367.10330	11.6
383.07379	1.1
385.09537	1.2
547.14746	2.1
547.22894	4.4
548.22986	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	547.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.2
57.03325	0.4
59.01250	9.7
61.98700	0.3
69.03323	0.3
71.01254	4.3
72.99160	0.2
73.02812	0.8
73.15743	0.2
75.00762	0.3
81.03326	0.4
83.01246	0.8
83.04924	0.2
85.02821	2.5
87.00755	0.6
89.02312	4.3
93.03333	1.0
95.01261	0.6
95.04880	0.4
96.95881	0.7
97.02808	0.3
99.00758	0.4
99.04413	0.3
101.02319	1.8
105.03328	0.5
107.01219	0.3
107.04903	0.6
108.02052	0.5
109.02853	1.1
111.00806	0.6
113.02320	2.3
113.99411	0.4
115.01799	0.3
117.03338	1.2
119.03388	0.6
119.04916	0.8
121.02850	0.6
123.04427	0.8
125.02327	0.6
129.01848	0.3
132.02037	2.0
133.02844	39.2
133.04951	0.8
134.03580	3.1
135.04408	24.3
136.04710	0.6
137.02321	1.4
138.06731	0.3
139.03905	0.6
143.03433	0.2
147.04404	0.9
148.05177	0.5
149.02367	0.7
149.05975	1.8
150.03125	0.2
151.00275	0.7
151.03899	0.4
151.07552	0.3
152.00989	0.4
153.01782	0.5
153.09128	0.6
155.03416	0.2
160.01553	0.7
161.02342	100.0
162.02684	4.5
163.03937	0.9
164.04686	0.6
165.05418	0.3
165.12766	0.4
167.03392	1.0
173.04463	0.8
174.01591	1.1
174.03027	0.4
175.00352	0.3
175.02380	0.4
175.03871	1.9
176.04630	0.7
177.01915	0.3
177.05501	2.5
178.02634	0.6
179.03413	15.1
179.06879	0.5
180.03773	0.4
183.13832	2.2
190.02583	0.8
191.03671	0.2
191.05508	0.7
191.07053	0.6
193.04947	1.3
203.03427	14.8
204.03801	0.7
205.04967	0.8
205.12309	0.6
207.02971	0.3
209.04527	0.4
221.04503	2.3
223.06082	0.6
225.14943	0.3
227.12810	0.8
235.06026	0.9
252.64998	0.2
255.02898	0.3
269.04446	1.4
271.02377	0.8
284.03232	3.8
285.03934	0.8
299.02155	0.5
299.05542	4.1
300.02765	0.4
300.06018	0.4
323.07632	1.0
337.07822	1.2
341.08783	3.1
369.14786	0.3
369.19147	2.1
377.27383	0.3
387.20020	1.1
427.13947	0.7
429.21097	0.4
504.09293	0.3
547.21741	46.2
548.22070	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	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51601	1.7
57.03325	68.8
59.01252	100.0
60.55778	1.8
62.46853	1.8
64.95219	1.7
66.69766	1.6
69.03330	4.6
71.01258	55.2
71.04871	2.1
71.58833	2.1
72.99174	7.7
73.02825	18.5
75.00751	13.8
78.75880	1.6
80.96368	2.0
81.53118	1.7
83.01263	8.8
83.04878	1.8
85.02818	26.0
87.00771	16.9
87.04388	8.0
89.02318	28.8
91.25607	1.8
93.03340	10.0
94.02804	3.0
95.01251	7.6
96.95888	20.0
97.02802	2.7
98.95473	3.9
99.00761	8.1
99.04397	45.1
101.02327	50.8
107.04899	1.9
107.56751	1.7
108.02069	3.7
108.44771	1.9
109.02855	9.1
109.06472	2.2
111.00771	3.4
111.04396	2.2
113.02331	26.7
115.00253	3.0
116.59897	1.8
117.03322	3.3
119.03440	9.8
119.04903	4.7
121.02847	6.0
122.03579	2.2
123.04420	15.1
123.08048	2.7
125.02341	28.8
126.55231	2.0
127.03919	2.4
127.89173	1.7
129.01817	5.4
133.02840	2.8
134.03632	4.2
135.02905	31.7
135.04424	26.6
136.05124	2.9
137.02330	8.7
137.05969	5.4
138.06705	2.4
143.03392	6.6
147.03125	1.8
147.04411	5.9
148.01599	7.9
149.02354	5.7
149.05983	3.6
150.03113	4.3
151.00230	3.3
151.03905	8.8
151.07576	2.4
152.01030	3.1
153.01825	3.3
153.09128	12.2
155.03337	2.2
159.02905	3.3
159.06479	4.0
160.01619	2.9
161.02405	9.1
161.04485	21.1
161.13277	2.7
162.03154	3.0
163.03931	28.5
164.04672	3.3
165.05498	5.3
167.03436	6.0
167.10661	3.2
173.04501	12.7
173.05775	2.4
175.02480	2.9
175.03900	5.9
177.01817	2.7
177.05473	2.9
179.03371	9.4
179.05577	4.4
180.03899	2.2
181.04999	3.8
191.01952	2.4
191.03429	22.1
191.05513	32.6
193.04951	9.3
200.04820	3.1
203.03368	3.8
205.03412	4.1
205.12361	5.3
207.02841	3.1
209.02713	3.3
209.04518	38.4
213.05328	2.4
221.04559	13.0
223.04382	3.2
223.13217	2.9
239.05530	14.1
241.14392	6.9
249.06024	5.1
249.09688	14.1
257.08157	4.1
267.07074	3.3
269.04480	4.5
271.06119	4.3
285.03860	2.6
286.08344	2.7
291.11154	2.5
293.04688	4.5
301.10944	13.3
309.08072	2.2
311.05411	2.9
337.06934	2.2
343.12036	2.9
367.07941	2.7
383.07748	6.6
385.18759	9.3
403.19736	69.4
404.19995	8.5
427.14044	29.0
428.14612	4.0
445.20834	38.5
446.20972	4.0
447.79413	2.0
457.15387	10.3
458.15634	2.9
485.23788	7.3
547.14001	13.7
547.24268	29.2
548.15155	2.5
548.24072	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04229	0.5
51.43024	0.6
57.03309	1.7
59.01253	15.0
67.01773	0.6
69.03304	0.6
71.01250	21.2
72.99178	2.4
73.02814	1.6
75.00753	0.9
83.01254	5.3
85.02822	6.0
87.00748	36.0
89.02312	1.1
93.03320	3.0
95.01241	0.6
96.95887	13.0
97.02841	0.7
98.95469	11.4
98.96291	1.6
99.00754	1.2
101.02301	2.1
109.02838	1.6
111.00758	8.4
111.04365	1.0
112.50967	0.5
112.98685	0.9
113.02296	1.6
115.00251	61.9
116.00578	1.0
119.04852	0.7
125.02322	2.0
127.00272	1.7
129.01848	0.8
134.03618	2.0
135.04433	4.1
137.02322	1.5
139.00270	16.6
139.01340	0.8
143.01352	0.5
149.02328	0.8
151.00215	0.6
151.03912	1.0
153.01779	0.6
155.03368	1.2
157.01321	28.7
160.03938	1.2
161.02354	1.4
167.03415	0.8
173.04485	4.8
175.02390	100.0
176.02783	2.9
176.04106	0.6
179.03371	1.8
191.05533	12.6
193.04993	1.1
223.04547	1.5
243.82472	0.6
253.07135	0.9
253.09694	0.6
279.07553	0.7
280.08511	2.7
281.09326	0.7
294.04279	0.5
295.10825	9.1
297.12360	0.8
309.12308	1.2
323.10275	1.1
325.11819	1.6
327.13318	3.2
339.09824	4.6
349.09064	0.8
353.11533	1.5
355.08383	0.9
355.12799	0.8
367.10168	0.6
369.10712	1.0
371.12473	10.3
372.12576	0.7
373.09119	0.6
391.13101	1.7
397.10312	1.9
399.11957	1.2
401.13632	1.8
409.13730	0.7
413.18436	0.5
429.12930	5.6
430.13605	0.6
431.14493	1.4
435.11789	0.7
443.14520	0.6
467.14502	4.8
485.15555	7.5
486.15549	0.9
487.13510	3.8
499.13300	1.2
511.13586	1.3
519.50519	0.5
547.14575	3.4
548.16003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66631	0.4
55.96457	0.5
57.03322	1.8
58.00465	0.5
59.01248	14.5
67.01743	1.2
69.03323	0.8
71.01250	18.8
71.35682	0.6
71.36031	0.8
72.99179	2.1
73.02821	2.8
75.00768	0.8
83.01247	6.4
85.02817	7.2
86.28841	0.4
87.00748	31.5
89.02309	1.7
93.03329	5.3
95.01255	0.5
96.95891	6.6
97.02872	0.5
99.00765	1.5
99.04388	0.7
101.02321	1.5
105.01774	0.4
107.04923	0.7
109.02826	1.3
111.00761	7.7
111.04398	1.6
112.98664	0.6
113.02341	3.7
115.00252	59.9
116.00597	1.1
117.03324	0.7
121.02848	1.4
123.04405	1.5
125.02369	0.5
127.00302	1.7
129.01837	1.4
133.02911	0.5
134.03644	4.5
135.04422	12.5
137.02345	3.2
139.00266	17.3
140.00600	0.7
141.04062	1.1
146.06059	0.5
147.04439	0.5
149.02322	1.8
149.06010	0.8
150.02971	0.4
151.03903	1.4
153.05443	0.5
155.03404	2.7
157.01324	26.4
158.01631	0.5
160.01584	1.2
160.03911	1.3
161.02338	2.1
163.03807	0.5
164.04681	0.7
167.03400	0.7
168.73839	0.4
173.04462	10.0
175.02390	100.0
176.01376	0.5
176.02733	2.2
178.02621	0.5
179.03406	5.4
187.03932	0.6
190.02611	0.7
191.05533	14.3
192.05852	0.6
193.04942	3.6
195.06720	0.5
197.04500	0.8
205.03432	1.1
205.05101	1.1
209.02954	0.5
223.04399	3.3
243.06601	1.3
247.13606	0.5
251.11932	0.5
252.09209	0.5
253.09680	0.8
266.07047	0.8
267.11526	0.5
280.08569	2.1
281.09082	1.1
295.10837	7.2
297.12375	0.6
309.12369	1.1
313.11008	0.7
323.07758	1.4
325.11902	2.1
327.13486	4.1
335.07669	1.2
337.11954	0.6
339.09756	1.6
349.09131	2.5
353.08124	3.4
355.08231	0.6
355.12842	0.8
363.13535	0.6
367.10025	1.2
369.10754	0.8
371.12534	8.9
372.12936	1.0
373.09366	1.6
381.14651	0.7
391.13019	1.9
397.10339	1.0
399.11972	0.8
401.13736	1.2
403.19638	1.0
409.13864	1.0
429.12946	4.2
430.13159	0.8
431.14606	1.1
435.12228	1.0
443.14584	1.0
447.13470	0.7
449.13660	0.6
467.14563	6.0
485.15625	8.4
486.15958	1.3
487.13599	3.8
499.13806	1.0
511.13763	1.1
547.14514	6.2
548.15454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05630	1.2
55.01751	1.4
57.03319	24.5
58.00454	2.6
59.01250	69.7
67.01752	1.8
71.01251	28.9
72.99174	5.5
73.02806	8.7
75.00769	3.2
79.10323	1.3
79.95573	1.3
81.03313	2.5
83.01258	5.1
83.04858	1.2
84.58782	1.1
85.02820	23.2
87.00765	6.7
87.04395	1.8
89.02320	17.8
93.03338	10.0
95.01272	3.4
96.95891	19.6
98.95483	4.7
99.00757	3.9
99.04379	15.0
101.02322	23.9
103.03913	5.1
107.04915	1.8
108.02085	1.7
109.02839	6.7
111.00755	2.4
111.04424	2.8
113.02336	10.7
116.85602	1.3
117.03377	6.5
119.03412	3.1
119.04930	2.4
121.02830	3.7
122.03595	1.5
123.04407	8.0
123.39535	1.1
125.02303	12.3
129.01859	3.3
133.02911	1.6
134.03632	4.5
135.02882	2.9
135.04402	18.1
136.05080	1.8
137.02333	5.7
137.05954	2.7
143.03503	1.8
144.29221	1.4
145.02850	2.5
146.03622	2.0
146.24191	1.5
147.04422	3.6
148.01552	3.8
149.02377	5.7
149.05949	1.7
150.03107	3.1
151.00287	2.4
151.03912	7.7
153.01836	1.5
153.09094	4.1
155.03448	1.7
161.02368	5.2
161.04430	7.4
162.03064	1.9
163.00250	1.6
163.03894	17.0
163.05968	1.2
164.04686	1.9
165.05502	3.5
167.03407	3.0
173.02238	1.9
173.04469	12.5
173.05855	1.8
175.00313	4.6
175.02496	2.3
175.03955	5.1
177.01826	2.2
179.03416	7.9
179.05545	1.5
181.04935	2.2
186.02956	1.4
189.05612	1.3
191.01883	2.3
191.03442	14.4
191.05534	19.8
193.04973	6.7
203.03514	2.5
205.12225	1.7
209.04482	27.9
209.06326	2.2
219.02930	6.0
221.04489	9.0
223.06076	2.9
223.13374	2.2
239.05463	8.9
241.14420	2.6
249.06119	5.1
249.09662	2.3
253.04854	1.8
257.08246	4.4
260.10098	1.3
262.30573	1.2
265.04999	1.4
267.07162	3.3
267.12460	1.5
268.03824	1.4
269.04507	9.4
271.06241	1.7
275.09225	1.4
280.99841	1.4
281.04535	8.0
282.05328	18.9
283.06024	9.0
286.08298	1.7
291.10815	1.4
293.04544	45.1
294.04880	3.0
295.06104	5.0
297.07504	2.0
299.01852	2.2
301.10767	5.2
309.04013	2.6
309.07724	2.5
311.05496	9.7
314.04227	3.3
323.05521	10.8
335.05655	4.2
337.07175	1.7
341.06546	12.2
353.07050	1.3
355.08316	6.3
365.06757	1.4
367.10745	2.0
383.07687	58.1
384.08029	6.0
385.13474	2.3
385.18674	5.6
401.08691	2.7
403.19681	28.3
427.13922	23.7
428.14182	3.3
445.20706	13.2
457.10861	4.0
457.15207	6.4
485.24252	3.0
538.33649	1.8
547.14594	100.0
547.23810	20.5
548.14801	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	547.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40311	0.5
59.01244	5.4
61.98687	0.6
67.11282	0.5
69.35612	5.5
75.00728	0.6
83.01247	0.9
85.02818	1.1
89.02325	2.5
101.02286	1.2
107.01285	1.2
108.02031	0.7
113.02355	1.8
115.07526	0.5
117.03380	0.7
119.04911	0.8
122.02297	0.8
125.02322	0.7
129.01784	0.5
132.02042	1.3
133.02843	16.4
133.03812	1.1
134.03661	1.6
135.04422	11.6
137.02286	0.7
149.02330	1.9
151.00293	1.7
151.07474	0.7
152.01140	0.9
161.02351	44.8
162.02728	1.6
163.03902	1.3
164.04686	2.1
167.03413	1.1
173.04504	0.7
177.05446	0.6
178.40114	0.6
179.03409	6.8
190.02682	1.2
191.03555	0.7
191.05588	0.7
193.05116	0.9
205.05193	1.0
206.05817	1.2
221.04605	1.1
221.08022	0.7
223.05997	2.6
227.03412	1.3
232.41068	0.6
255.02930	6.6
256.03680	3.7
265.07205	2.2
268.03787	2.2
269.04541	10.3
270.04834	1.1
283.02417	2.4
283.05795	1.0
284.03256	100.0
285.03650	8.0
297.04050	2.4
298.04730	0.6
299.05606	98.4
300.05936	8.6
322.16135	0.5
341.06705	2.3
427.13614	0.9
447.09097	0.6
547.14459	2.5
547.21851	25.1
548.21735	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	547.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	2.7
59.01249	12.4
60.99170	1.3
67.01743	2.0
69.03312	4.7
69.37098	12.4
71.01236	8.5
72.99159	1.9
73.02808	2.0
75.00751	2.6
81.03320	1.6
83.01237	1.8
83.04890	3.5
85.02816	7.7
87.00739	6.2
89.02306	3.3
93.03326	22.3
96.95862	1.4
99.00770	2.6
99.04420	2.0
101.02303	3.9
108.02021	2.0
108.70483	1.3
109.02806	7.7
111.00737	4.1
111.04406	13.6
113.02322	2.9
115.00230	3.5
117.03320	3.0
119.04912	1.5
123.04396	5.1
125.02309	2.8
127.03883	1.6
129.01859	2.0
132.02063	1.9
133.02817	3.7
134.03622	44.5
135.04405	100.0
136.01491	1.4
136.04726	2.5
137.02335	64.9
138.02713	1.8
139.08830	1.3
147.04382	2.1
149.05945	5.6
150.03148	1.6
151.03923	3.0
153.01770	1.9
155.03403	31.0
160.01582	14.6
160.03870	1.4
161.02351	14.5
165.03951	2.2
165.05399	2.0
167.03409	6.0
167.10542	1.4
173.04457	82.6
174.04785	3.4
175.02373	3.9
175.03860	21.1
177.01808	1.9
178.02603	1.4
179.03383	10.7
185.00887	1.7
191.05547	13.6
193.04977	28.5
194.05298	1.6
197.04491	1.9
203.03337	1.8
205.04996	1.8
223.04506	2.7
244.36258	1.3
285.04150	2.1
323.26642	1.4
324.02277	1.2
334.06848	1.3
335.07605	16.4
336.08127	2.5
349.09250	50.5
350.09491	5.0
353.08731	18.3
354.08893	2.7
367.10291	2.8
371.09741	20.7
372.10333	1.4
385.14993	1.7
410.95682	1.2
472.84409	1.3
503.13687	2.7
529.13458	3.1
547.14301	24.7
547.22058	1.9
548.15118	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	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.1
57.03317	1.9
59.01254	16.3
61.98698	1.3
69.30073	9.6
71.01246	9.7
72.99185	1.1
73.02823	1.9
82.13482	0.8
83.01284	1.2
85.02817	4.4
86.01375	0.9
87.00761	1.4
89.02315	5.0
93.03367	1.5
95.01311	0.9
95.04889	1.3
96.95894	1.9
99.00783	1.2
101.02335	7.6
109.06496	1.1
111.08048	12.1
113.02314	5.4
119.03388	1.8
125.02265	1.2
137.09651	1.1
143.03429	1.0
161.04471	3.7
167.10684	1.8
169.01259	1.5
177.12796	2.6
179.10571	1.2
195.13847	7.4
197.11800	1.8
217.00255	1.6
223.17012	1.5
242.05824	0.9
247.20775	2.7
253.09254	17.8
272.55115	1.1
273.18616	1.7
275.20172	1.6
291.19656	100.0
292.20044	8.6
295.22983	1.8
299.00729	1.1
309.20755	8.3
545.29388	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	545.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.5
57.03305	0.3
58.02851	8.5
59.01251	6.0
59.79120	0.4
66.03352	0.8
69.03332	0.7
69.99715	1.7
71.01247	2.5
71.02331	0.4
72.00775	1.6
72.99158	0.6
73.02827	0.7
73.03948	0.4
73.74081	0.3
74.02345	3.1
80.04934	0.5
82.06484	1.0
84.00780	0.6
84.08044	1.2
85.02833	1.1
87.00720	1.0
88.67496	0.4
89.02328	1.5
93.03336	9.8
94.03630	0.5
95.02303	0.4
96.14693	0.4
96.95882	1.9
98.01057	0.5
99.04364	0.4
100.07552	0.4
101.02325	1.3
106.04105	0.7
107.04884	1.1
108.02048	1.2
109.02826	1.1
110.06004	0.4
111.01884	1.4
112.02628	1.0
112.07596	0.4
113.02309	1.2
115.08660	28.0
116.07079	0.6
116.09019	0.6
119.04924	10.6
121.02768	0.4
122.21346	0.4
123.04422	0.3
124.02676	0.5
125.02323	0.9
125.03409	0.7
125.07088	1.5
126.05467	0.7
126.09142	0.6
127.08667	1.9
128.06981	0.5
129.10234	12.7
130.10597	0.6
133.02806	0.3
133.05241	0.7
134.03613	0.3
134.06017	5.1
135.04404	0.7
136.07555	1.6
137.02345	12.0
138.07852	0.6
139.08665	0.6
141.06596	16.2
141.10225	0.9
142.06915	0.6
143.08186	0.8
150.05484	0.7
151.08611	0.4
152.01064	1.4
152.07056	0.7
153.01848	0.6
153.06590	0.8
153.10248	0.6
154.08623	1.5
155.08160	2.9
159.04390	0.6
161.04362	0.4
163.03922	7.4
164.04384	0.4
165.12703	0.5
165.13901	2.2
167.08148	1.3
171.11311	5.3
173.09227	3.6
177.01903	0.5
180.06587	25.0
181.06892	1.2
181.13437	0.4
183.10152	0.5
183.14972	0.7
185.00850	0.4
191.05560	0.8
193.13403	1.0
195.14951	1.5
197.16531	6.8
198.16875	0.4
206.11760	0.6
208.14592	0.7
209.12901	9.1
210.53590	0.4
211.10913	0.6
222.16208	0.5
223.14539	0.5
228.17154	0.7
233.12961	1.7
235.14485	17.2
235.16864	0.9
236.14781	0.9
239.17613	1.3
240.17261	1.0
245.09180	0.6
261.12442	1.6
261.19659	2.4
264.17236	1.1
278.22397	0.9
279.13492	17.3
280.13727	0.9
281.08496	0.4
282.18253	1.1
284.03250	1.2
285.04034	2.0
305.11267	0.4
315.07211	0.5
320.23523	0.8
329.18777	0.7
330.14642	3.6
346.21390	2.5
348.22772	0.6
350.08020	0.6
364.22238	1.3
365.10254	1.1
373.20169	0.7
374.20514	0.4
383.11209	0.8
390.20587	2.4
391.20694	0.5
397.07584	0.4
416.29263	0.7
417.19104	0.7
429.10785	0.9
447.09125	0.6
501.30914	1.6
503.28940	0.6
545.29797	100.0
546.21973	0.8
546.30157	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	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.2
57.03308	1.1
58.00465	1.4
59.01243	14.3
61.53950	0.7
69.03308	1.2
69.32135	6.5
71.01250	8.1
71.90560	0.6
72.99183	0.7
73.02798	2.7
83.01236	1.0
83.04888	0.8
85.02807	2.0
87.00736	1.1
88.50941	0.7
89.02312	11.0
91.03855	0.8
91.27267	0.6
94.22397	0.7
95.01282	0.7
97.06499	0.7
101.02314	12.2
107.51476	0.7
109.06465	1.2
111.08039	16.9
113.02347	5.2
119.03383	2.8
125.02316	1.1
127.07509	1.1
143.03409	1.6
151.11177	1.0
153.12778	1.0
161.04462	5.5
165.12749	0.9
169.01407	0.8
169.12236	6.5
179.05501	2.1
181.12202	1.2
183.13844	1.3
197.11760	82.2
198.12062	2.9
199.13321	7.8
211.13367	8.8
217.77415	0.7
227.12843	2.6
251.84915	0.7
253.09254	51.8
254.09570	2.5
263.20105	6.7
265.18036	2.7
273.18564	1.9
291.19632	29.6
292.19974	2.4
309.20688	100.0
310.21014	9.3
387.16544	0.7
397.75909	0.7
409.46078	0.6
553.65381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87874	0.5
55.01759	1.0
57.03310	1.5
58.00459	1.1
59.01245	17.0
65.53330	0.4
69.03316	1.7
69.91653	1.7
69.92085	1.4
71.00884	0.9
71.01247	9.9
71.04848	0.7
71.85915	0.5
73.02820	2.6
83.01247	1.5
83.04890	1.0
85.02813	3.2
87.00732	1.5
89.02309	9.9
93.06937	0.5
95.01180	0.5
97.02821	4.8
97.06449	0.6
98.19899	0.6
99.00741	1.0
101.01685	1.0
101.02315	13.3
109.06370	0.6
109.98828	0.5
111.08033	13.4
113.02316	5.5
119.03363	2.8
119.08559	0.6
123.24730	0.4
125.02305	1.2
125.09597	1.0
131.03389	0.6
134.03659	0.5
137.09589	1.9
137.69995	0.5
143.03381	0.9
151.00237	1.6
151.11157	0.8
152.21664	0.5
153.01698	0.4
153.09154	0.6
153.12755	0.9
161.04471	4.3
163.11169	1.9
164.04834	0.5
165.09088	0.5
165.12758	3.3
167.10616	0.6
169.01334	0.8
169.12247	4.6
171.10190	3.4
175.03870	0.7
179.05544	1.7
179.14360	1.0
181.12238	1.7
183.13809	1.2
185.11685	0.6
191.14366	0.6
191.85252	0.5
193.12253	1.5
193.16046	0.6
197.11752	56.5
198.12102	2.8
199.13324	3.2
209.11726	2.0
211.13329	8.3
212.13770	0.6
223.13293	0.8
227.12808	4.7
247.20651	2.9
253.09238	45.4
254.09549	2.2
263.20035	2.9
265.18060	1.9
273.18463	2.4
285.03967	0.7
287.05426	0.9
291.19638	42.6
292.19885	4.3
309.20676	100.0
310.20981	9.8
453.86459	0.5
545.29419	0.7
547.22778	0.6
569.60114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43182	0.4
57.03321	4.0
59.00946	1.0
59.01248	19.5
61.98715	0.5
69.03326	1.7
69.38804	2.2
69.39233	2.1
71.01247	9.9
71.04547	0.5
71.04886	2.6
72.99168	0.9
73.02815	2.1
83.01257	1.3
83.04893	2.4
84.39951	0.5
85.02821	3.7
85.06456	1.9
87.00752	1.8
87.04375	1.3
89.02311	9.6
93.03340	1.5
95.01261	0.9
95.04877	0.9
96.95869	1.6
97.02812	1.5
97.06465	1.6
99.00726	0.9
101.02323	11.0
103.83356	0.5
109.02900	0.6
109.06485	2.7
111.04395	1.8
111.08021	2.2
113.02316	6.1
119.03418	2.4
119.04893	0.4
125.02308	0.9
125.09628	0.5
127.07540	0.8
127.63252	0.4
131.03441	0.8
133.02864	0.5
135.04399	0.5
137.09628	0.7
137.31999	0.5
143.03400	1.5
149.02371	0.6
152.80388	0.5
161.04471	5.3
167.10672	1.1
169.12173	1.2
171.10207	1.1
173.04446	0.6
175.00200	0.6
175.03937	0.5
179.05518	1.3
179.10675	0.6
179.14287	1.4
181.12303	0.7
183.13806	0.6
185.00827	0.9
190.02585	1.1
191.05554	1.4
193.05038	0.7
195.13828	12.7
195.15540	0.9
197.11784	4.6
205.04951	1.0
205.12242	1.3
209.11710	0.6
211.13316	1.7
220.80560	0.5
221.15408	9.9
222.15862	0.6
223.06093	1.2
223.13313	5.2
224.13742	0.5
229.08542	0.7
229.19473	0.8
233.15343	0.9
235.08112	0.5
235.16893	0.9
239.16504	3.1
247.20604	1.5
251.16519	0.8
253.09262	44.6
254.09543	1.5
263.20120	0.7
273.18707	1.5
284.03152	0.8
285.04037	3.5
291.19662	29.5
292.19995	2.7
309.20694	100.0
310.21078	8.1
404.22388	0.4
447.09280	1.0
485.31036	0.8
515.08429	0.8
545.30347	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55849	3.7
56.48973	3.6
58.12576	3.4
59.01247	34.3
59.07751	4.6
61.98696	3.5
63.24318	3.2
71.01263	12.1
71.59061	5.0
71.59526	4.1
83.04940	3.8
85.02848	3.8
89.02304	5.5
96.95897	8.4
101.02338	10.8
111.08041	11.8
113.02368	9.0
121.02841	6.1
125.02358	7.3
167.26056	3.8
169.01353	8.7
195.13840	5.9
197.11772	6.2
210.77144	3.8
211.13358	7.6
217.00296	4.2
223.13559	4.2
225.11275	4.7
253.09274	18.7
268.86319	3.6
291.19672	100.0
299.39920	4.2
305.22159	4.1
309.20810	15.7
312.03293	3.5
450.47281	4.2
513.30035	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	545.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32542	0.2
55.01768	0.7
57.03328	1.1
58.00475	0.4
59.01250	9.0
61.98705	0.4
65.00208	0.5
69.03331	1.1
71.01257	6.6
71.01657	0.3
71.04910	0.2
72.99180	0.6
73.02819	1.3
79.75726	0.2
81.03364	0.2
83.01252	1.1
83.04913	0.7
85.02817	2.1
87.00764	1.0
89.02318	6.1
91.03922	0.3
93.03343	0.3
95.01257	0.6
95.04926	0.4
96.95903	0.3
97.02832	3.1
97.06468	1.6
99.00758	0.4
99.04412	0.3
101.02327	7.5
107.01292	0.6
109.06495	0.5
111.00758	0.3
111.08027	1.5
113.02334	3.4
113.09628	0.9
115.07560	0.8
119.03385	1.8
119.08582	0.3
121.06438	0.3
123.00723	0.2
123.04446	0.4
123.08033	0.4
125.02362	0.4
125.06007	0.3
125.09627	0.8
131.03387	0.4
137.09639	1.1
139.11176	0.6
141.09143	1.0
143.03445	0.7
151.00285	1.5
151.04056	0.3
151.11269	0.3
151.27083	0.2
152.00638	0.7
153.00836	0.4
153.12755	0.4
158.68935	0.3
161.04466	3.2
163.11185	1.0
164.04799	0.3
165.05087	0.3
165.12781	3.9
167.10704	0.4
167.14368	1.4
169.12292	0.7
171.10188	1.7
173.04434	0.3
177.01729	0.3
177.12822	0.3
179.05580	1.1
179.14377	0.6
181.12242	2.3
183.13847	1.0
187.11212	0.9
188.11601	0.9
189.11818	0.3
191.05530	0.5
193.12286	1.5
193.15959	0.6
195.13866	2.0
197.11784	4.9
199.13448	0.5
209.11833	1.2
211.13361	3.6
221.15399	1.7
223.13278	0.5
225.11505	0.3
227.12840	1.7
229.14397	0.5
229.19595	0.3
240.13719	0.4
241.14340	0.3
247.20686	3.1
248.20992	0.6
253.09274	24.8
254.09637	1.0
263.20129	0.5
265.18118	0.3
265.21732	0.5
273.18649	2.7
274.18811	0.4
281.21213	0.8
291.19669	36.7
292.20010	3.4
309.20715	100.0
310.21075	8.6
339.12305	1.4
340.12686	1.9
341.12909	2.3
383.23557	0.2
413.30627	0.2
421.41345	0.2
467.88004	0.2
545.29626	8.5
546.30133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.5
59.01253	10.3
63.88383	0.5
69.03322	0.8
71.01254	7.5
71.04857	0.5
72.99166	0.8
73.02810	1.0
83.01257	0.9
83.04900	0.8
85.02828	2.3
87.00738	1.3
89.02316	5.2
93.03334	0.7
93.78928	0.4
95.01276	0.6
95.04900	0.7
96.95889	1.2
97.02836	0.8
97.06452	1.8
98.19821	1.0
99.00765	2.4
99.08020	0.7
101.02326	7.2
102.02631	0.5
108.02057	0.7
109.02818	0.6
111.04312	0.6
111.08046	0.6
113.02328	2.3
113.09597	1.5
115.07545	1.1
119.03380	1.7
123.04419	0.5
125.02313	1.0
125.05978	0.6
125.09612	0.7
134.03647	1.2
139.07596	0.6
139.11212	1.0
141.09102	1.1
151.11140	0.6
160.01549	2.6
161.04477	2.1
163.11160	0.5
165.12781	3.9
167.10678	1.3
167.14317	1.8
169.01352	0.6
171.10175	0.5
173.04453	0.6
175.03918	2.5
179.05571	0.5
179.07195	0.4
179.14296	0.5
181.12263	2.7
183.13834	1.3
185.11736	1.4
191.05516	1.6
193.05025	1.4
193.12265	1.7
193.15886	1.0
195.13838	2.5
205.04962	0.6
209.11751	2.5
211.13425	3.5
213.14963	0.8
215.07010	0.5
215.95700	0.4
221.15366	2.9
229.14453	0.9
235.08192	0.5
240.13751	0.9
245.18904	0.6
247.20624	3.2
253.09261	18.7
254.09659	1.2
263.20221	0.9
273.18649	2.9
281.21222	1.3
285.03818	0.6
289.18085	1.0
290.18375	0.7
291.19662	35.3
292.19977	3.6
308.19403	0.9
309.20706	100.0
310.21094	9.4
445.15042	1.1
469.05219	0.5
476.22760	0.7
513.26849	1.6
545.29602	10.7
546.30280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
50.23375	1.1
50.84923	0.9
55.01736	2.9
55.74428	1.1
57.01781	1.2
57.03318	2.6
58.00458	3.4
59.01249	100.0
61.98695	3.7
65.03250	1.0
67.01768	1.1
68.11397	0.9
69.03315	7.7
71.01250	61.3
71.58564	1.6
71.58932	1.2
72.54899	1.0
72.99189	7.6
73.02811	7.2
75.00727	6.0
81.03302	1.8
82.95284	1.2
83.01250	8.6
83.04855	1.1
85.02819	21.8
87.00761	6.3
87.31849	0.9
89.02316	48.0
93.03320	4.8
95.01262	12.2
96.95891	8.7
97.02809	6.6
99.00749	6.8
99.04421	1.2
101.02317	38.3
105.03344	1.6
107.04906	1.6
108.02053	4.5
109.02820	4.5
110.03217	1.0
111.00748	2.7
111.04336	1.9
113.02324	28.5
115.00246	1.1
115.03887	1.3
117.03285	1.6
119.03388	24.5
121.02843	1.5
122.03599	1.2
123.00787	1.5
123.04341	2.5
125.02329	8.5
125.05935	1.2
129.01833	2.1
131.03395	3.0
133.02797	3.1
134.03603	4.7
135.00755	2.2
135.04391	2.9
136.05247	1.1
137.02362	6.1
139.00270	5.7
141.01834	5.3
141.09076	3.7
143.03369	3.8
145.02820	1.7
149.02277	2.9
149.04449	1.3
151.00264	2.3
151.03912	5.1
152.01065	5.4
153.01813	4.4
160.01547	3.7
161.04462	5.6
163.03925	1.8
164.04619	1.3
165.01996	1.4
165.09120	5.2
169.01332	1.5
173.04427	3.2
175.03856	6.5
177.01822	4.0
179.03380	1.7
179.05518	3.8
185.00804	4.6
185.02333	1.2
187.07596	1.1
189.05450	1.3
190.02678	2.3
191.05504	9.1
193.04961	7.2
193.12306	3.3
199.07568	19.6
200.07880	3.3
205.04977	1.2
205.12256	1.6
209.06360	1.7
209.08139	12.1
217.04907	1.9
223.06111	2.1
243.06422	1.6
249.06090	4.0
265.14362	2.7
267.06631	1.1
284.03159	1.8
285.04047	7.9
295.15527	5.2
297.04089	1.7
298.04709	3.8
309.03848	1.3
309.20660	1.2
341.13834	1.2
350.07877	7.9
353.13846	1.9
359.27994	6.8
365.10260	23.8
366.10703	1.9
383.11066	10.2
399.23837	4.4
447.09238	3.3
448.09702	1.5
455.75339	1.1
485.30972	2.3
503.32089	1.3
507.18814	2.8
545.16675	21.9
545.22736	13.1
545.30023	6.2
546.16571	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	545.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
57.18366	0.8
57.34043	0.7
59.01245	13.5
61.98697	1.5
62.93464	0.7
68.99683	11.1
69.03300	0.8
71.01254	5.8
71.57683	0.6
71.58113	1.1
72.99196	1.1
73.02824	2.5
83.01243	1.0
83.04890	1.2
85.02811	3.7
87.00687	1.3
89.02312	3.0
89.56989	0.8
93.03365	1.5
95.01264	1.0
96.95866	2.0
99.00750	24.4
100.72148	0.7
101.02321	3.9
105.03304	0.7
106.04059	0.7
111.08068	1.0
113.02313	2.5
117.03283	1.3
119.03355	1.0
119.04867	0.9
124.01489	0.8
125.02331	2.1
125.09576	1.0
132.02055	26.5
133.02800	3.1
134.03622	32.3
134.04643	1.8
137.02336	1.4
149.05988	4.3
160.01559	100.0
161.01889	3.6
161.04521	0.8
165.12842	1.0
169.01294	2.3
173.04428	1.8
175.03912	90.5
176.04208	3.5
177.01978	0.7
183.13908	0.8
191.05524	3.3
193.04976	49.8
194.05327	2.7
197.11783	7.0
209.11699	3.5
211.13327	1.8
217.70520	0.8
221.15367	0.7
227.12718	1.1
246.19278	1.2
253.09241	9.7
254.09523	1.3
263.20416	0.9
284.03452	1.3
285.04105	1.6
289.18182	4.3
290.18396	5.9
291.19519	8.3
307.19238	3.7
308.19519	3.7
309.20657	23.8
310.20993	0.8
378.03986	0.8
383.11523	2.5
407.99509	0.8
445.14984	64.1
446.15216	8.3
469.04715	1.6
513.14154	3.5
527.27979	1.1
545.16760	8.0
545.30109	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.7
59.01248	0.9
65.00166	0.1
65.75883	0.1
69.03332	0.2
69.36540	0.1
69.57635	0.2
69.58041	0.4
71.01244	0.4
73.02843	0.1
75.00779	0.1
79.95608	2.1
80.96396	0.2
83.01247	0.1
84.42415	0.1
85.02823	0.3
87.00714	0.1
89.02332	0.2
93.03341	0.3
96.95888	100.0
97.95836	0.4
99.04374	0.5
101.02351	0.5
101.02923	0.1
109.02812	0.2
111.00781	0.1
113.02294	0.2
125.02327	0.4
133.02904	0.1
134.03557	0.1
135.04381	0.3
137.02309	0.2
146.03645	0.1
151.00209	0.1
151.03891	0.1
151.07668	0.1
151.82925	0.1
152.01030	0.1
159.10228	0.1
161.02397	0.1
161.04503	0.2
165.09125	0.6
173.04539	0.4
173.05804	0.1
177.01834	0.2
179.03500	0.2
179.07181	0.1
185.00941	0.2
191.05505	0.5
193.04997	0.2
195.02873	0.1
195.06491	0.1
235.08229	0.1
239.75113	0.1
267.06671	0.1
269.04395	0.1
284.03290	0.8
285.04047	1.5
286.04263	0.2
297.26193	0.1
353.06415	0.1
401.14493	0.4
447.09296	1.5
448.09811	0.2
545.19025	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	545.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26133	0.2
59.01244	1.2
63.13879	0.2
66.19011	0.2
67.01727	0.2
69.03310	0.7
70.98769	0.6
71.01238	0.9
75.00729	0.3
79.95602	2.0
80.96396	0.3
85.02831	1.2
87.00740	0.4
89.02311	0.5
93.03334	0.6
95.01312	0.2
96.58238	0.2
96.95885	100.0
97.02808	0.3
97.85868	0.2
97.95815	0.5
99.00758	0.5
101.02325	0.5
109.02850	0.7
113.02315	0.4
118.05029	0.2
119.04891	0.2
121.02764	0.3
125.02339	0.4
133.02863	0.4
135.04385	0.4
137.02350	0.5
140.65233	0.2
149.02333	0.9
150.03078	0.4
151.03841	0.4
153.01813	0.5
153.05492	0.5
160.03938	2.6
161.02394	0.3
164.04684	0.4
165.05457	0.4
167.03394	0.3
173.04543	0.5
174.01611	0.2
175.00320	0.6
185.00768	0.3
190.02684	0.9
191.05486	1.4
195.06590	0.4
205.03348	0.3
205.05003	1.3
218.26962	0.2
223.04263	0.3
223.06218	0.5
230.47006	0.2
251.25546	0.2
290.99710	0.2
297.03952	0.3
327.05103	2.0
328.05466	0.3
357.06268	0.4
376.87070	0.2
447.09177	1.5
545.19293	0.7
545.27264	0.2
546.12402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67241	0.4
55.01751	0.9
57.03332	0.8
58.00481	0.5
59.01247	16.8
60.01593	0.3
61.98679	0.5
62.71806	0.3
69.03323	3.9
69.41656	0.3
70.06353	1.8
71.01254	8.2
71.04888	2.2
72.99171	0.9
73.02813	1.7
75.00755	0.4
80.02564	0.6
81.03331	1.3
81.98116	0.3
83.01257	1.1
83.04886	1.0
85.02813	2.9
87.00735	1.4
89.02312	5.7
91.01747	0.8
91.03862	0.5
93.03347	0.6
95.01271	0.8
95.04871	0.7
97.02833	1.2
97.06475	0.5
98.03627	0.5
99.00755	2.2
101.02320	6.2
106.04139	0.9
107.04911	0.6
108.02061	0.5
109.02844	2.0
109.06467	8.3
111.04382	2.8
111.08026	1.4
113.02313	3.6
113.26615	0.4
119.03389	1.9
119.04888	0.4
121.02898	0.4
121.06480	0.4
123.08021	1.6
125.02353	0.9
127.07538	1.5
129.01805	0.3
130.08644	0.5
135.00746	3.4
135.08020	0.5
137.02332	0.4
137.09586	0.8
143.03389	0.5
143.10689	1.0
145.06471	1.4
149.02333	0.5
149.09642	0.8
151.00290	0.4
151.11171	0.7
152.01054	0.5
153.01834	4.0
161.04485	2.3
161.09679	0.5
164.04607	0.5
167.10640	1.1
177.12770	0.5
179.05545	0.8
179.10670	1.0
181.12268	0.8
183.13879	0.4
185.00821	3.0
186.01178	0.5
191.14360	0.4
195.13863	3.7
197.11742	0.4
203.10803	0.8
235.08060	0.4
235.13268	0.7
245.19104	4.2
249.14914	0.4
251.16434	0.8
253.09247	17.2
254.09747	0.5
255.02931	1.8
261.18518	0.4
271.17010	0.7
273.15121	0.5
283.02481	0.6
284.03207	0.8
285.03946	1.1
287.16547	1.5
289.18066	100.0
290.18430	9.5
297.06189	2.0
304.19125	0.7
307.19168	5.2
339.12558	0.5
446.08530	0.8
447.09290	0.5
449.37125	0.4
483.29416	0.6
501.30771	0.9
525.27020	1.1
542.76648	0.6
543.33136	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	543.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76786	0.8
55.22490	0.9
59.01243	4.9
65.10579	0.9
70.94632	1.0
71.01244	3.1
71.58211	1.5
74.47719	0.9
80.02564	2.0
81.03331	1.6
83.04886	4.6
83.23347	0.9
84.02010	1.0
85.02820	1.8
86.57745	0.9
89.02288	0.9
93.33685	0.8
96.95850	1.4
97.06445	1.5
99.00739	1.4
111.08000	1.3
113.02264	1.1
123.59612	0.9
125.09621	2.4
163.11198	4.8
165.12762	11.1
181.12286	2.0
183.13823	100.0
184.14162	4.7
191.10591	1.3
199.13377	2.2
207.10184	2.4
209.11768	69.9
209.66365	0.8
210.12108	3.2
211.13336	6.5
225.11270	3.2
227.12843	18.1
243.12260	1.2
245.27975	1.0
267.07236	1.2
283.15359	1.4
301.16672	7.5
307.19348	1.3
393.26630	1.6
467.29950	1.8
493.28235	1.1
508.99667	1.0
511.21945	1.7
511.29117	29.3
512.29449	3.5
536.89099	1.1
543.27734	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	543.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
55.94196	0.4
56.50904	0.4
57.03323	4.9
58.00457	0.9
59.01245	20.4
65.03791	0.4
68.99671	0.5
69.03316	2.3
70.12159	1.7
71.01247	18.9
71.04889	0.7
72.36848	0.4
72.99186	1.4
73.02808	2.6
75.00759	0.9
80.02546	1.2
81.03323	1.2
81.10976	0.3
81.99696	0.4
83.01252	1.7
83.04906	3.0
83.82838	0.4
85.02819	4.4
87.00751	2.8
89.02312	11.6
90.02635	0.4
91.03880	0.7
91.05268	0.4
93.03304	1.0
93.06965	0.4
95.01254	1.3
95.04910	2.0
97.02831	1.4
97.06462	13.5
98.03596	0.6
99.00727	1.3
99.08066	0.4
101.02314	15.1
101.86829	0.4
107.04876	0.7
109.02839	0.9
109.06476	2.8
110.36623	0.4
111.04399	0.8
111.08043	5.0
113.02323	8.6
119.03380	3.3
121.02780	0.5
121.06469	0.7
122.03584	0.5
123.04385	1.4
123.08006	1.8
125.02311	1.2
125.05899	0.4
125.09607	2.6
127.11213	0.4
131.03409	0.6
133.04890	0.6
133.10074	0.5
134.03651	0.4
134.95171	0.4
135.07986	1.1
137.02330	0.5
137.06006	0.6
137.09607	1.2
138.06709	0.8
139.07512	0.6
143.03412	1.6
145.04971	0.9
147.07999	0.6
147.11699	0.9
148.08949	0.4
149.04489	0.6
149.09619	2.1
151.07492	0.4
151.11177	12.2
152.11514	0.6
153.05408	0.4
153.09090	1.6
153.12733	2.1
155.10641	5.8
159.08067	0.5
161.04457	5.7
161.09583	1.2
163.11179	4.3
165.09062	0.5
165.12749	16.8
166.13081	0.9
167.10626	3.0
168.11479	0.5
169.12219	3.4
171.10216	0.4
173.09598	0.5
175.11186	0.6
177.09152	0.6
177.12744	1.9
179.05550	1.3
179.10670	5.7
181.12250	14.1
182.12598	0.6
183.13795	3.6
191.10699	9.6
191.14288	3.6
192.11253	0.5
195.10193	1.1
195.13892	0.5
197.11769	1.5
199.13332	0.6
203.14319	0.4
205.12282	2.8
207.10176	1.2
207.13852	0.5
209.11757	50.6
210.12128	3.1
211.13332	6.3
212.13623	0.4
213.11229	0.4
217.15977	0.8
224.10481	0.6
225.11172	1.9
227.12823	18.8
227.17911	0.6
228.13206	0.7
233.93968	0.4
235.08182	2.7
235.20662	0.6
239.09177	2.1
243.17458	0.5
245.19055	17.6
245.27248	0.4
246.19397	1.4
247.16942	0.6
251.13019	0.4
251.20068	0.7
253.09236	38.6
254.09602	1.4
260.14316	0.4
261.18607	1.0
263.20126	20.3
264.20386	1.9
271.17032	2.2
279.19611	2.7
289.18066	31.2
290.18423	3.3
293.21075	0.7
301.16446	1.0
307.19116	100.0
308.19455	9.7
309.20520	0.5
353.25034	0.4
381.23062	0.4
417.28705	0.4
431.19089	0.5
445.14752	0.7
445.20715	11.4
446.21008	1.1
460.19397	3.2
461.20084	0.5
508.68387	0.4
511.29239	0.7
525.26581	0.4
543.19135	0.7
543.27954	10.8
544.28870	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
57.03320	2.4
58.00454	0.8
59.01248	17.2
62.59219	0.4
69.03321	1.1
69.93349	0.4
70.45807	0.8
70.46197	0.7
71.01250	12.5
71.04913	0.4
72.01572	0.3
72.99175	0.8
73.02806	3.0
74.49651	0.4
75.50848	0.3
80.02536	0.9
81.03327	1.9
83.01263	3.0
83.04890	1.0
84.50947	0.3
85.02828	3.3
87.00761	1.8
89.02318	11.1
91.01785	1.0
91.03884	0.6
93.03287	0.5
95.01271	1.3
95.04884	2.2
97.02840	2.6
97.06462	6.1
99.00768	1.0
101.02320	11.7
106.04135	0.6
107.04934	0.5
109.06471	1.2
110.03629	0.7
111.04387	1.2
111.08020	0.5
113.02329	6.0
113.05984	0.5
119.03393	3.0
119.04963	0.4
119.08567	1.0
121.02847	0.5
121.06481	1.4
123.04408	3.8
123.08022	1.6
125.02302	0.7
125.05980	0.9
125.09608	4.6
135.00775	1.1
135.08054	1.3
135.20821	0.3
136.05270	0.4
137.05983	0.7
137.09621	3.9
141.12721	1.4
143.03419	0.8
145.04953	0.4
148.05199	0.9
149.06035	0.8
149.09607	0.4
150.10414	0.7
153.01837	1.1
160.08797	0.4
161.04436	5.4
161.09663	0.8
162.10281	0.4
163.07558	0.6
163.11188	8.4
164.08237	0.4
165.09114	0.9
165.12811	2.1
167.10680	0.4
171.10181	1.0
175.11284	0.6
177.12730	1.0
179.05542	2.1
179.10701	1.1
181.12317	1.8
183.13783	0.5
185.11757	7.8
189.12767	0.7
191.10719	0.8
191.14336	9.9
192.14717	0.6
193.12257	0.9
203.10672	3.4
207.10207	3.7
207.13887	0.4
209.11761	22.1
210.12148	1.2
211.13364	2.4
217.15881	1.1
225.11267	3.5
226.11780	0.4
227.12814	0.7
227.17987	0.6
235.08247	1.1
237.11266	12.3
238.11700	0.7
243.17491	0.6
245.19057	19.3
246.19418	1.6
247.17014	0.4
251.13045	0.6
253.09256	43.0
254.09494	1.9
260.29144	0.4
261.18533	0.5
263.20142	6.3
264.20642	0.5
271.16977	3.2
281.21234	1.4
289.18082	98.4
290.18433	10.1
307.19131	100.0
308.19467	9.7
325.20126	1.0
327.20758	0.4
339.12384	2.0
525.27167	0.6
543.19373	0.9
543.28009	4.7
544.28333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63285	0.2
58.07285	0.2
59.01251	0.9
63.02271	2.9
65.00197	8.7
66.00525	0.2
71.01270	0.3
81.03340	0.2
81.80332	0.2
83.01258	5.3
93.03321	0.3
106.04133	1.3
107.01275	14.6
108.02106	0.6
108.99191	0.3
121.02856	0.3
125.02342	1.5
131.01276	0.6
132.05710	10.6
133.06075	0.4
135.00801	0.4
136.01544	0.3
137.02293	0.4
138.03127	0.4
149.02341	0.2
151.00278	46.9
152.00604	1.8
161.09634	4.8
164.01068	0.5
164.04698	6.5
165.01859	1.7
165.05104	0.4
169.01344	3.3
175.00337	1.5
177.01854	4.6
187.11215	33.8
188.11565	2.6
189.09055	0.2
193.01390	1.0
213.09145	0.8
307.19061	0.3
321.11163	0.4
339.12357	100.0
340.12708	10.2
381.13376	1.6
382.13629	0.4
499.27222	0.3
516.76544	0.3
543.19122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27779	0.8
55.01743	3.3
57.03322	3.0
57.11655	0.9
58.00445	1.8
59.01247	55.1
59.45588	0.9
62.40011	1.0
69.03320	6.8
71.01248	81.1
71.58649	1.0
71.59043	1.5
72.99181	3.2
73.02811	19.0
75.00742	3.0
78.95772	1.3
80.96386	5.6
81.03333	2.4
83.01250	14.0
85.02818	21.5
85.99948	5.1
87.00747	15.9
87.04385	3.5
89.02312	14.1
93.03355	1.7
93.57443	1.0
95.01270	4.0
96.95875	8.7
97.02821	5.1
99.00759	7.3
99.04391	2.9
101.02319	44.1
101.02994	2.3
102.02694	2.0
103.03880	8.2
111.00733	1.3
113.02330	14.7
115.03904	2.9
115.07529	1.6
119.03390	5.2
125.02351	10.5
127.03903	1.9
129.01834	1.5
131.03401	1.5
133.02846	1.3
134.03580	1.6
137.02341	1.4
141.01778	1.6
143.03412	4.2
143.07031	4.0
145.04971	2.6
147.12001	1.0
152.98470	1.0
153.01828	2.0
159.02896	4.0
161.04465	13.9
161.08104	11.8
163.06053	13.0
173.04387	1.2
175.03854	1.1
185.00818	2.1
187.09686	22.2
188.10173	1.4
191.05490	2.0
205.07089	3.2
207.02968	1.5
215.09196	9.9
225.00601	1.8
225.50821	1.0
247.08197	1.9
277.12878	15.8
278.13480	1.4
305.12347	1.8
307.10281	4.2
357.09399	1.8
423.18704	100.0
424.19000	9.6
451.18054	11.6
452.18750	1.4
483.20898	10.1
543.17816	6.5
544.18402	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.7
57.03326	2.8
59.01248	29.5
61.98711	2.2
69.03313	6.6
69.58394	9.7
69.58801	3.6
71.01250	27.7
72.99173	3.6
73.02809	13.6
75.00743	4.2
78.98473	3.2
79.95615	5.6
80.96384	47.4
81.03304	1.8
83.01247	5.0
83.04903	3.3
83.54541	1.6
85.02814	12.3
85.06445	2.7
87.00758	6.7
89.02312	14.1
93.03342	6.3
94.97953	9.4
95.01245	3.0
96.95872	4.0
97.02848	5.2
97.06480	1.9
99.00745	16.0
99.04404	2.6
101.02315	11.0
101.51255	1.6
108.02057	3.5
109.02833	6.1
109.06468	2.1
111.00722	2.2
111.04363	2.6
113.02317	14.2
119.03375	2.6
119.04911	2.6
121.02811	2.1
122.97469	2.8
123.00751	1.9
123.04440	2.6
125.02348	7.7
125.09637	3.0
127.07585	2.7
131.03453	2.3
133.04961	19.4
134.03627	7.6
135.04396	4.3
136.05225	2.4
137.02374	6.0
143.03331	2.0
148.05196	100.0
148.99005	5.3
149.02403	2.7
149.04497	2.5
149.05806	3.3
151.00299	3.6
151.07527	16.5
152.01080	5.9
152.98537	3.9
153.01796	3.6
155.03386	5.2
160.01628	3.4
161.04510	5.5
163.00209	2.1
163.03925	5.0
163.07544	99.4
164.07860	5.0
164.98529	11.3
167.03433	2.7
169.08650	2.2
173.04472	14.0
175.02522	2.1
175.03993	5.2
178.02606	2.6
179.03470	2.2
190.02594	3.0
191.05502	5.6
193.04964	11.9
205.04982	2.8
206.99699	2.5
211.13350	3.4
223.06013	2.3
225.00670	10.7
229.08606	2.4
251.94600	2.0
252.89284	2.0
285.03915	2.2
311.18796	2.3
349.09277	6.5
355.21277	4.9
380.09067	2.1
381.09833	2.4
427.16083	5.6
457.17090	14.3
466.77966	1.9
481.31564	4.9
499.18222	26.7
499.32684	12.1
500.18842	3.9
543.14716	4.7
543.21271	66.4
543.29431	3.5
544.21442	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	543.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.8
59.01253	6.6
60.99171	0.5
61.98711	0.8
65.00194	0.4
67.01761	3.7
69.03322	1.9
71.01251	5.3
71.54622	0.3
73.02809	1.8
81.03317	1.9
83.01250	0.9
83.04900	2.8
85.02824	2.5
87.00742	1.9
87.04371	0.4
89.02325	1.3
91.05411	0.4
93.03332	25.0
94.03672	0.8
95.01289	0.5
96.95908	0.6
97.02852	0.6
97.06470	0.8
98.19769	1.1
99.00754	1.2
99.04410	0.4
101.01752	0.3
101.02354	1.3
107.04911	0.5
108.02068	0.8
109.02829	2.4
109.06478	0.4
111.00772	2.1
111.04402	13.5
113.02336	1.4
117.03357	5.4
117.05509	0.5
119.01293	0.5
119.04914	22.1
120.05276	0.5
121.02841	4.6
123.04430	0.7
125.02358	1.3
125.09629	0.7
127.03908	1.2
127.07548	0.8
129.01852	0.6
132.02077	1.0
133.02863	0.5
134.03622	2.3
135.04439	1.1
136.05147	0.4
137.02336	13.4
138.02682	0.7
141.05528	0.4
145.02853	22.1
146.03255	0.6
147.00813	0.4
147.04420	1.7
149.02348	29.4
150.02745	0.8
151.03914	0.9
151.07570	2.0
152.01025	1.0
153.01871	1.1
155.03403	27.0
156.03726	1.0
160.01593	0.7
163.02516	0.5
163.03917	20.3
164.04704	24.6
165.05110	1.3
168.00496	0.3
173.04468	100.0
174.04816	3.0
174.97105	0.6
175.00285	3.3
175.03944	1.1
179.03421	0.4
179.07057	2.9
190.02655	10.3
191.03055	0.6
191.05554	3.6
193.01398	0.7
193.04973	1.8
195.08054	0.7
205.05011	11.4
206.05330	0.6
208.03764	1.3
213.09166	0.3
223.06073	30.5
224.06425	1.4
226.01030	0.3
239.07191	1.0
247.06145	0.4
269.04559	0.4
275.09308	0.7
285.03909	0.9
299.09375	0.5
311.18515	0.4
319.08224	22.2
320.08463	1.6
337.09286	18.6
338.09799	1.6
349.05496	0.4
355.21225	2.3
364.08020	1.1
379.10330	34.5
380.10687	3.1
397.11383	2.7
398.11563	0.5
415.12238	0.4
499.32455	1.0
543.14941	15.3
543.21271	0.7
543.31891	0.6
544.15283	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	543.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
59.01249	4.4
60.99170	0.5
61.98695	0.9
65.00187	0.6
67.01757	3.8
69.03333	1.9
69.55271	2.9
70.12285	0.4
71.01247	3.7
72.99193	0.6
73.02813	1.5
77.41947	0.3
79.95601	0.8
80.72800	0.3
80.96391	4.4
81.03325	2.1
83.01236	0.9
83.04901	5.0
85.02805	2.4
85.46313	0.4
87.00755	2.6
91.05401	0.5
93.03334	25.4
94.03643	0.6
94.58064	0.4
94.97951	0.8
96.95923	2.1
97.02846	0.7
99.00766	0.6
99.04395	0.5
101.02317	0.7
107.04883	0.7
109.02848	2.3
111.00752	1.9
111.04401	20.6
112.04675	0.5
113.02316	1.3
117.03345	8.8
119.01307	0.7
119.04917	32.2
120.05222	1.2
121.02843	6.9
123.00763	0.6
123.08030	0.4
125.02356	0.7
127.03900	2.1
127.07528	0.7
132.02068	1.3
134.03546	0.6
135.04398	1.2
137.02342	19.5
138.02689	0.6
139.00320	0.4
140.46881	0.4
145.02852	40.9
146.03188	1.6
147.04431	4.2
149.02345	43.1
150.02679	1.5
151.03888	0.5
151.07552	5.8
152.00975	0.9
153.01869	0.5
155.03401	42.9
156.03729	1.3
161.02411	0.7
163.03920	29.8
164.04706	32.2
164.98569	0.6
165.05083	2.1
169.08603	0.4
173.04469	100.0
174.04834	3.4
175.00267	5.7
175.03917	0.5
177.01900	0.5
179.07019	3.0
189.01817	0.5
190.02641	16.2
191.03079	0.6
191.05557	1.8
193.01375	0.7
195.08022	1.4
197.05983	0.5
205.04991	17.6
206.05434	0.9
208.03659	1.7
213.09161	0.8
219.36821	0.5
223.06068	36.1
224.06413	1.8
225.00705	1.6
239.07060	1.0
240.07593	0.5
243.06400	0.5
251.44696	0.5
257.08539	0.5
275.09085	0.8
283.06168	0.5
319.08212	39.0
320.08588	3.1
335.11575	0.7
337.09277	16.0
338.09531	1.0
364.08057	1.8
379.10327	46.5
380.10687	4.6
397.11276	2.4
439.94763	0.5
455.33484	0.8
481.31860	2.0
499.32990	3.6
543.15137	17.8
543.21442	4.3
544.15222	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	543.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.0
68.99677	1.2
69.03306	1.1
69.25250	7.5
71.01257	2.2
72.99184	0.8
73.12751	0.6
75.00735	1.1
83.01244	0.9
84.98983	0.6
85.02808	2.9
87.00758	2.8
93.03321	0.9
96.95882	1.3
98.20537	1.5
99.00752	1.2
101.02326	0.8
105.85900	0.8
109.02737	1.1
111.00730	1.6
112.98708	1.2
113.02305	2.7
113.99457	5.0
115.00264	4.1
115.00972	0.7
121.02830	4.3
127.00265	1.8
129.01804	1.4
132.02019	0.8
140.41826	0.7
141.01860	1.4
141.62379	0.7
142.99754	1.9
147.04416	2.3
149.02344	24.5
150.02673	1.1
152.01097	0.8
157.01349	1.6
164.04694	15.9
165.01613	0.7
165.74121	0.8
168.26636	0.7
169.01283	1.0
174.01602	10.3
175.02411	1.5
179.06979	1.3
223.06052	13.7
277.05591	9.6
319.06845	0.8
337.07742	100.0
338.08063	7.0
543.13507	12.6
544.14050	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	543.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75412	0.2
55.01755	0.4
57.03325	0.3
59.01247	3.3
61.98710	0.2
63.02262	1.8
65.00183	1.4
69.03324	6.8
69.34562	0.6
69.34988	1.1
71.04906	0.4
72.99178	0.3
73.02833	0.5
75.00784	0.2
81.03371	0.2
83.01251	1.3
83.04887	0.2
85.02824	0.7
87.00753	0.3
89.02306	0.6
95.01270	0.5
96.95876	0.2
97.02821	1.7
97.06503	0.4
98.19828	0.4
99.00758	4.2
101.02319	0.8
101.02948	0.2
105.03380	0.2
107.01270	2.9
108.02073	0.3
109.02844	1.4
109.06467	0.3
109.81000	0.2
113.02327	0.6
117.83115	0.2
119.03359	0.2
119.04945	0.3
121.02831	0.7
125.02329	0.6
125.09635	1.2
132.02069	0.2
133.02838	5.2
134.03676	1.0
135.00888	0.2
135.04391	0.3
137.02321	0.2
141.01865	0.6
147.00703	0.2
147.64261	0.2
148.01576	0.4
149.02335	1.9
149.99495	0.4
151.00279	5.3
151.03877	0.4
152.00865	0.2
153.01825	1.4
161.02325	0.4
161.04462	0.4
163.11209	1.0
169.01369	0.6
170.03670	0.2
171.04437	0.3
171.10168	0.4
175.03918	2.3
177.01880	0.5
181.12254	2.0
183.04361	0.4
185.00839	5.7
185.02452	0.3
185.06029	0.5
187.03879	0.5
188.04689	0.4
190.02545	0.3
195.04425	0.3
197.06007	0.4
197.11774	0.6
198.03027	0.3
199.03929	2.8
199.13315	1.0
200.04692	0.6
201.01883	0.5
201.11206	0.2
205.05048	0.2
207.10175	3.0
209.11777	0.4
211.03896	1.1
212.04732	0.3
213.05489	0.5
214.02594	0.3
215.03444	0.5
217.04953	1.0
225.11266	6.1
227.03412	1.4
228.04184	0.2
229.05048	0.4
235.09726	0.5
239.03427	0.5
240.04207	0.3
241.04927	1.0
243.02933	0.5
243.12320	5.4
255.02948	4.0
256.03711	4.0
257.04315	0.7
267.02942	0.4
269.04474	0.5
283.02475	2.4
284.03256	49.2
285.04016	100.0
286.04373	7.8
297.04007	0.5
298.04529	0.2
299.05768	0.2
299.15063	0.4
317.15994	2.7
318.16226	0.2
327.05075	0.9
357.26392	0.5
429.08194	0.3
446.08548	2.4
447.09180	1.6
483.29715	0.5
525.27045	0.3
543.15057	66.3
543.27057	7.1
544.15424	9.6
544.28583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	0.2
59.01244	1.0
65.99718	0.1
69.03336	0.2
71.01259	0.7
71.58465	0.3
77.90669	0.1
77.91145	0.1
79.95578	0.2
80.96452	0.1
85.02823	0.5
87.00768	0.3
89.02321	0.3
93.03326	0.3
95.01239	0.2
96.95879	0.3
96.96874	0.1
97.02840	0.2
99.00829	0.2
101.02332	0.5
108.02057	0.6
109.02822	0.3
111.04398	0.2
113.02296	0.3
115.00246	0.2
116.04944	3.4
119.04914	0.2
121.02824	0.2
122.06021	0.1
123.04418	0.3
125.02351	0.3
131.03641	0.2
132.02036	0.4
132.04449	0.4
133.02869	0.2
133.04808	0.1
134.03627	1.1
134.95374	0.1
135.04390	0.3
137.02330	0.2
138.01837	0.1
149.02325	0.3
149.05878	0.2
150.03107	0.5
152.01073	0.4
153.01784	0.2
159.03169	1.0
160.03947	100.0
161.02245	0.4
161.04289	3.9
163.03888	0.2
164.04562	0.1
165.01720	0.1
165.05489	0.6
168.00536	0.1
172.27516	0.1
173.04561	0.2
174.01868	0.6
174.05429	0.2
175.00385	0.1
175.03928	2.5
179.03352	0.2
190.02661	0.4
191.05566	0.4
193.05025	0.8
195.06572	0.3
200.03447	0.2
204.02957	4.1
205.03291	0.2
205.05035	0.5
212.03491	0.5
218.04501	1.5
223.06213	0.4
234.05544	0.2
250.05099	0.2
251.05797	0.3
262.05066	0.7
278.04498	0.3
279.05231	1.1
280.60599	0.2
292.06430	0.2
294.07712	4.8
295.08118	0.3
303.05402	0.1
315.06909	0.1
315.12360	0.2
320.05481	0.3
321.06354	0.4
322.09384	0.2
323.07681	0.3
336.08762	3.2
337.09256	1.9
338.09161	0.1
366.08258	13.7
367.08539	0.9
381.14728	0.1
382.10788	0.1
498.13776	0.3
510.18863	0.1
542.12958	9.0
542.21442	0.9
543.13116	1.5
543.20477	0.1
552.83728	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	541.316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01584	1.3
61.98694	4.1
64.48304	1.0
69.03316	7.5
71.01254	7.7
71.58823	1.3
71.59206	1.3
72.99183	1.2
73.02843	1.4
75.00737	1.3
83.01318	1.0
83.10979	0.9
85.02827	3.6
87.00747	2.6
89.02311	2.7
89.04754	0.9
93.03330	1.0
95.01260	1.3
95.33891	0.9
97.02818	2.0
97.74410	1.0
99.00751	4.4
101.02332	2.7
108.02071	1.5
113.02319	4.7
123.04359	1.4
125.02314	1.2
133.02841	1.6
137.02341	2.3
140.01027	1.1
141.01778	1.6
142.03377	1.0
151.03883	1.6
152.01021	2.6
154.65819	0.9
158.92848	0.9
169.20457	1.1
173.62962	1.0
183.13812	1.2
185.00815	6.9
190.02628	1.1
191.03358	1.0
197.11673	1.2
209.11830	1.2
237.78035	1.0
305.17700	1.4
472.97272	1.0
505.33871	3.3
541.25793	2.7
541.32001	16.7
541.75580	1.9
542.32129	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	541.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05006	0.4
55.01759	1.7
57.03312	0.9
57.10796	0.4
57.68195	0.4
58.00451	0.7
59.01249	100.0
60.01583	0.8
69.03325	10.8
71.01250	21.8
72.99185	1.3
73.02825	6.2
77.67751	0.5
78.95740	0.5
83.01260	2.6
85.02822	9.4
87.00758	1.1
89.02305	9.7
93.03378	0.6
95.01276	1.4
97.02827	6.2
98.19773	1.3
99.00751	5.3
101.02320	15.9
108.02063	0.6
109.02853	1.1
110.06094	0.5
113.02330	11.1
119.03378	5.3
123.00798	0.5
123.04427	0.7
125.02317	0.7
129.01859	0.8
131.03369	0.7
134.03653	1.5
135.04372	2.4
137.02371	0.8
141.01837	1.1
141.04106	1.0
143.03421	1.6
149.02359	0.9
150.03101	0.5
151.07568	0.5
152.01080	0.7
153.01816	0.8
159.02893	1.9
161.04459	8.6
173.04588	0.6
179.05475	2.6
185.00824	7.3
190.02679	0.5
191.05663	0.7
193.05000	1.0
229.86433	0.4
319.19351	1.7
379.06573	3.6
437.25266	0.5
451.23447	1.2
452.73099	0.5
463.17566	0.6
463.23618	1.7
481.24390	32.5
482.24890	4.7
491.16873	0.9
509.17596	0.5
542.21881	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	541.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
55.42429	0.2
57.03329	0.6
58.00470	0.6
59.01249	100.0
60.01579	0.8
67.01739	0.3
69.03325	1.9
70.86436	0.6
71.01252	14.4
72.27415	0.3
72.99188	0.8
73.02813	3.4
75.00751	0.4
79.36556	0.2
83.01245	1.6
85.02825	5.4
87.00760	0.9
89.02315	13.4
90.02701	0.3
95.01266	0.8
97.02833	7.9
99.00769	1.1
101.02316	11.1
107.85726	0.3
108.02074	0.9
109.02830	1.5
110.15810	0.3
111.04359	0.2
113.02332	7.1
117.07010	0.3
119.03388	6.9
125.02370	0.7
129.01854	0.3
131.03426	0.9
137.02344	0.4
138.03127	1.4
143.03383	1.9
149.04462	0.6
152.01083	0.6
153.01842	0.3
159.02966	0.8
161.04449	7.0
161.05818	0.5
164.04785	0.3
165.05481	0.6
179.05563	3.7
179.07115	2.0
226.29607	0.3
283.17120	0.6
301.16501	3.0
319.19092	1.7
338.06958	0.4
374.14600	0.3
445.22577	0.4
451.23358	1.4
463.23441	3.0
481.24402	16.3
482.24673	1.9
529.12347	0.3
541.19666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.7
57.03289	1.3
59.01246	15.8
61.98681	2.8
67.35088	0.6
69.02998	0.7
69.03318	7.4
70.15891	3.0
71.01253	5.6
71.04861	0.8
72.68278	0.6
72.99160	0.8
73.02796	2.4
81.03307	1.6
83.01231	2.5
83.04868	1.0
85.02358	0.7
85.02802	4.5
87.00722	1.5
89.02289	2.0
93.03343	1.1
95.01258	3.1
95.04834	0.8
97.02837	4.7
97.06480	0.8
98.20460	0.7
99.00707	2.6
99.04375	0.7
101.02321	3.6
104.19279	0.6
107.01263	1.0
108.02029	1.4
109.02791	1.8
109.06464	1.0
109.99944	1.3
111.00729	2.9
111.07993	1.8
113.02341	3.6
121.02764	0.9
123.00755	9.1
124.00649	1.0
124.01550	21.8
125.02329	65.7
125.09562	1.2
126.02724	1.4
127.07536	0.8
130.08604	0.8
135.04369	0.9
137.02350	3.2
137.09573	0.7
137.99449	1.4
139.00258	16.1
139.03862	1.3
140.00960	1.9
141.01892	0.9
143.03343	0.8
149.02240	0.9
149.99480	32.3
151.00191	2.0
151.03935	1.1
151.07516	2.0
152.00980	2.5
153.00652	1.1
153.01833	20.1
153.09019	0.8
154.01459	1.1
154.02615	14.3
155.03401	4.5
161.02164	0.6
161.04433	1.5
163.03838	0.8
165.12741	9.1
167.03404	3.8
168.00546	63.8
168.04169	6.7
169.01326	9.5
169.04980	12.5
175.03795	0.9
183.13826	9.0
185.00850	3.5
193.04897	0.8
195.06323	0.7
207.13730	0.7
209.11722	1.0
221.15337	0.9
223.06024	0.8
227.12794	5.6
231.13881	1.2
233.11789	1.5
244.67923	0.6
249.14969	1.3
251.12778	2.2
265.14337	1.6
285.04074	1.0
287.07654	1.1
287.16412	1.8
291.15967	1.0
293.14020	6.1
311.14917	0.9
313.05792	1.4
317.13821	1.5
331.06525	5.0
331.10245	5.7
371.17081	1.5
453.32019	1.8
458.08087	0.9
497.31015	4.7
523.18036	1.2
523.25397	2.7
541.19049	100.0
542.19348	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	541.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62113	0.7
57.03307	2.2
59.01247	24.1
61.98693	5.5
69.03333	6.2
70.64473	0.7
71.00882	1.2
71.01247	11.9
71.04869	0.9
71.07145	0.9
71.07451	1.1
72.99152	0.9
73.02807	5.0
75.00740	1.8
81.03307	1.0
83.01254	2.2
83.04899	1.3
85.02816	5.2
87.00739	2.7
87.04361	1.0
89.02306	4.7
89.59290	0.7
93.03325	2.4
95.01254	7.9
96.95847	0.9
97.02833	4.9
97.06448	1.6
99.00734	3.3
101.02321	6.1
108.02031	3.3
109.02841	5.7
109.06446	3.2
111.04445	1.1
113.02314	5.5
119.03378	1.8
119.04871	1.2
121.02813	2.4
123.00762	67.1
123.04377	1.3
124.01560	32.7
125.02331	56.1
125.09618	0.8
126.02676	1.0
127.07538	2.5
133.02838	1.3
134.03590	2.0
135.00748	1.6
135.04407	2.0
137.02324	4.6
139.07567	0.7
141.01752	0.9
147.04413	1.5
149.02321	3.6
149.05978	1.0
149.99484	36.3
151.00192	2.8
151.03806	1.0
151.07515	3.4
152.01041	2.1
153.01834	11.7
161.02295	2.2
161.04437	1.9
163.03871	3.1
165.01871	1.2
165.12724	3.7
165.36064	0.7
166.99725	2.1
167.03409	20.9
168.00546	82.7
169.01312	5.9
175.00270	1.1
175.03874	1.1
177.01787	0.9
179.03339	1.3
183.13812	11.1
185.00806	2.4
190.02576	2.0
191.03406	3.0
191.05328	1.1
193.04956	1.4
195.02943	2.3
200.61682	0.8
205.05135	1.7
205.12051	0.8
227.12834	2.2
236.25412	0.7
269.06686	5.9
277.18118	0.9
287.16568	1.0
313.05618	27.0
314.06052	2.5
331.06680	60.4
332.06934	2.9
337.20197	2.6
387.78845	0.8
388.26273	0.8
479.29852	1.5
497.31012	3.0
541.19196	100.0
541.26294	3.7
542.19385	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	541.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.7
57.03289	1.3
59.01246	15.8
61.98681	2.8
67.35088	0.6
69.02998	0.7
69.03318	7.4
70.15891	3.0
71.01253	5.6
71.04861	0.8
72.68278	0.6
72.99160	0.8
73.02796	2.4
81.03307	1.6
83.01231	2.5
83.04868	1.0
85.02358	0.7
85.02802	4.5
87.00722	1.5
89.02289	2.0
93.03343	1.1
95.01258	3.1
95.04834	0.8
97.02837	4.7
97.06480	0.8
98.20460	0.7
99.00707	2.6
99.04375	0.7
101.02321	3.6
104.19279	0.6
107.01263	1.0
108.02029	1.4
109.02791	1.8
109.06464	1.0
109.99944	1.3
111.00729	2.9
111.07993	1.8
113.02341	3.6
121.02764	0.9
123.00755	9.1
124.00649	1.0
124.01550	21.8
125.02329	65.7
125.09562	1.2
126.02724	1.4
127.07536	0.8
130.08604	0.8
135.04369	0.9
137.02350	3.2
137.09573	0.7
137.99449	1.4
139.00258	16.1
139.03862	1.3
140.00960	1.9
141.01892	0.9
143.03343	0.8
149.02240	0.9
149.99480	32.3
151.00191	2.0
151.03935	1.1
151.07516	2.0
152.00980	2.5
153.00652	1.1
153.01833	20.1
153.09019	0.8
154.01459	1.1
154.02615	14.3
155.03401	4.5
161.02164	0.6
161.04433	1.5
163.03838	0.8
165.12741	9.1
167.03404	3.8
168.00546	63.8
168.04169	6.7
169.01326	9.5
169.04980	12.5
175.03795	0.9
183.13826	9.0
185.00850	3.5
193.04897	0.8
195.06323	0.7
207.13730	0.7
209.11722	1.0
221.15337	0.9
223.06024	0.8
227.12794	5.6
231.13881	1.2
233.11789	1.5
244.67923	0.6
249.14969	1.3
251.12778	2.2
265.14337	1.6
285.04074	1.0
287.07654	1.1
287.16412	1.8
291.15967	1.0
293.14020	6.1
311.14917	0.9
313.05792	1.4
317.13821	1.5
331.06525	5.0
331.10245	5.7
371.17081	1.5
453.32019	1.8
458.08087	0.9
497.31015	4.7
523.18036	1.2
523.25397	2.7
541.19049	100.0
542.19348	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	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	4.6
59.01246	19.2
61.14904	0.8
61.98680	3.6
62.47283	0.7
69.03320	16.6
71.01247	14.3
71.04902	0.7
71.58346	0.9
72.99149	2.2
73.02802	4.0
75.00746	1.6
81.03295	1.0
83.01241	3.3
83.04890	1.8
85.02823	11.1
87.00731	2.2
87.04404	4.0
88.98648	0.9
89.02289	3.3
93.03304	2.0
95.01234	2.8
95.04883	1.1
96.95864	1.4
97.02811	5.0
97.06451	1.9
99.00757	6.4
99.04367	2.7
101.02319	7.7
108.02045	4.9
109.02846	4.6
111.00749	0.9
111.08006	2.4
113.02305	6.7
113.15386	0.7
119.04877	2.6
121.02795	3.5
121.06451	1.8
122.03624	25.3
123.00767	1.0
123.04404	10.1
124.01476	1.5
125.02298	2.4
127.03918	0.9
134.03612	2.0
135.04323	2.2
137.02266	2.9
139.00185	1.2
139.03909	0.8
141.01781	3.3
141.27773	0.7
147.04410	100.0
148.04724	4.0
149.01231	1.3
149.02341	19.4
149.05966	4.1
150.02838	0.8
151.00160	1.1
151.03883	1.2
151.07472	3.1
152.01004	3.1
153.01826	1.3
153.09036	0.9
160.01553	1.9
161.02237	1.0
161.04474	6.2
163.03903	2.2
164.03429	1.1
164.04703	13.1
165.05305	1.5
165.12750	30.2
166.13106	1.0
167.03346	2.4
168.00505	1.1
175.03882	2.0
178.40189	0.8
179.06989	1.4
181.01347	1.2
181.12267	0.8
183.13820	60.7
184.14085	2.9
184.99272	0.8
185.00826	11.7
190.02618	1.9
191.05469	1.8
193.01259	1.9
201.05406	1.2
202.00870	1.4
205.04956	1.6
208.03659	3.4
209.11768	5.2
211.13264	2.4
219.06548	1.9
223.06058	26.8
224.06343	2.1
227.12834	20.5
265.09433	0.8
267.08859	1.7
269.04376	1.2
285.03928	3.1
285.09698	4.6
286.92560	0.8
293.08911	1.2
307.10672	2.1
308.11087	2.2
315.05081	1.9
317.14001	1.2
335.22192	4.8
352.10025	1.8
377.06638	2.0
477.28439	1.5
479.32071	4.9
495.22437	17.8
495.29379	1.8
496.22430	1.8
507.19342	2.6
521.20178	1.3
539.21210	30.2
540.21240	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	1.5
59.01246	12.0
61.98687	1.5
69.03310	5.1
71.01244	6.1
71.58212	2.1
73.02795	1.2
83.01189	1.3
83.04884	1.3
85.02817	3.8
87.00742	1.2
89.02319	2.2
90.61845	1.4
93.12963	1.1
95.01228	2.3
96.95879	2.5
97.02844	1.4
99.00725	1.1
101.02245	1.1
103.31827	1.2
108.02048	66.3
109.02852	7.9
111.08012	3.0
113.02263	2.1
114.79559	1.2
121.02856	1.6
123.00768	1.7
125.02327	2.7
135.00810	1.2
135.04390	2.8
141.11253	1.2
143.04466	1.3
149.02214	1.6
151.00235	1.8
152.01048	100.0
153.01834	5.5
159.34366	1.1
163.03844	2.5
165.12752	15.0
171.10275	1.5
177.01707	1.4
178.62242	1.1
183.13875	2.2
195.02756	1.1
197.11703	1.2
209.11716	3.6
214.84923	1.3
217.00223	4.0
227.12762	1.4
251.12166	1.2
297.06116	3.9
311.22226	1.4
317.21118	7.9
374.99261	2.7
507.18573	17.7
539.21155	63.3
540.21674	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	539.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03316	1.0
59.01251	10.0
68.06293	0.4
69.03329	1.4
69.78838	0.4
71.01259	3.0
73.02831	1.0
83.01228	0.5
85.02823	3.4
87.00751	1.2
89.02329	0.9
93.03314	1.0
95.01276	0.7
97.02834	0.8
99.00739	0.8
99.04367	0.5
101.02329	2.0
107.04901	0.5
108.02048	39.6
109.02851	11.5
109.06417	0.5
113.02308	1.5
119.08554	0.6
121.02838	1.1
123.00791	1.0
123.04340	0.7
125.02309	2.3
133.02823	0.9
133.10117	0.4
134.03618	0.8
135.04453	2.3
135.08107	0.7
137.02321	1.2
137.09631	3.6
141.83380	0.4
151.00244	1.4
151.03900	1.3
152.01053	67.2
153.01837	8.4
161.02367	1.6
161.04443	1.0
161.09631	1.9
163.03915	1.4
163.07545	0.7
165.01883	0.6
165.05412	0.9
168.00505	0.4
173.04462	0.6
177.01878	0.7
179.03418	0.8
179.10680	1.5
181.08577	2.1
190.02628	0.4
191.05553	0.7
193.04985	0.9
197.11794	1.8
201.48190	0.4
223.09633	0.9
241.10863	0.7
243.06557	1.0
244.06917	0.5
245.07140	0.4
291.20340	0.4
297.06207	3.8
298.06293	0.6
315.07202	3.8
363.16586	1.0
451.09930	0.7
459.12552	0.6
477.17587	3.5
479.15628	2.0
495.18814	3.0
503.25055	1.0
521.16309	0.7
539.17621	100.0
539.34015	2.5
540.17975	16.3
550.37067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18089	0.8
55.01755	1.2
56.89299	0.7
56.98911	0.8
57.03319	5.9
58.00463	1.2
59.01249	100.0
60.01581	1.0
64.40792	0.7
67.01748	1.6
68.99686	2.4
69.03323	2.0
71.01251	27.8
72.99168	7.1
73.02820	5.6
75.00744	19.0
81.03328	0.9
83.01261	3.6
84.01974	1.3
84.95003	2.4
85.00307	1.1
85.02819	27.9
87.00738	9.1
87.04405	3.7
89.02316	9.8
93.03332	2.6
95.01270	6.5
95.04963	0.9
99.00753	11.9
99.04404	1.2
99.57556	0.8
101.02332	6.9
103.00253	2.7
103.03878	1.1
107.49171	0.7
108.02050	1.8
109.02853	1.7
111.00767	1.9
111.04420	1.1
113.02327	31.1
115.00247	2.2
117.01823	4.2
119.03376	2.4
123.00773	2.0
124.01559	1.5
125.02332	4.5
129.01810	2.3
131.03389	1.2
134.03616	1.3
137.02299	1.4
143.03349	1.2
149.02324	1.7
149.87982	0.8
149.99493	1.1
151.00333	1.5
152.01036	2.2
153.01801	1.0
153.99422	0.8
157.01311	1.0
161.02318	0.8
161.04390	1.5
163.06029	2.4
163.23816	0.8
167.03427	1.0
168.00526	4.3
169.01294	1.4
173.04503	0.9
175.00220	1.0
175.02383	3.0
175.03868	1.4
179.03456	1.3
181.64926	0.8
189.03992	1.1
190.02623	2.1
191.03224	1.2
191.05536	1.5
195.06496	1.1
205.05264	1.0
205.07115	3.0
206.05396	1.0
207.13768	1.6
209.11794	2.4
225.14758	1.1
227.12820	8.8
231.05069	2.4
249.06114	33.3
250.06424	1.2
267.07187	12.2
269.14072	1.0
287.14987	3.8
287.18448	1.5
291.07315	1.3
309.08276	9.2
313.05557	1.2
315.07452	1.0
331.06769	6.1
331.17648	1.8
345.13461	1.3
361.18643	1.4
389.20477	0.9
389.25467	1.5
477.23746	5.7
493.15768	1.2
519.20154	6.0
537.22229	61.1
538.22546	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01723	0.9
57.03314	4.8
58.00466	0.9
59.01248	100.0
62.71663	0.6
67.01743	1.0
68.99693	2.1
69.03332	2.9
69.52304	5.7
71.01251	26.5
72.99178	6.8
73.02814	5.0
75.00741	21.1
81.03333	1.0
83.01252	2.2
83.04901	1.7
84.01933	1.3
84.95005	2.2
85.00318	1.5
85.02820	29.4
86.02361	1.0
87.00741	8.8
87.04400	3.6
89.02321	9.8
91.03913	1.6
93.03344	2.6
95.01250	6.9
97.02830	1.0
99.00755	13.3
99.04400	1.7
101.02326	5.9
103.00268	2.8
103.03900	1.9
108.02052	1.3
108.93975	0.7
109.02826	1.4
111.00785	2.8
111.04391	0.8
113.02323	39.3
115.00240	3.4
117.01829	3.9
119.03394	1.2
123.00790	2.0
123.04428	1.0
124.01599	0.9
125.02345	3.3
129.01826	3.5
130.99783	0.7
131.03416	1.8
135.04382	1.2
143.03421	0.9
149.02321	1.1
149.99486	0.8
150.03093	0.7
151.03917	0.9
154.34468	0.7
157.01350	1.9
161.04489	1.5
163.06049	2.2
167.03421	1.0
168.00569	3.7
173.04532	0.8
175.02394	3.8
175.03798	1.0
179.03265	0.8
189.03928	1.3
190.02608	1.5
191.03180	0.9
191.05573	2.1
205.05164	1.5
205.07184	3.3
206.05359	1.5
207.05315	1.1
207.13957	1.4
209.11815	2.8
225.14940	2.0
227.12842	7.9
231.05164	3.1
249.06117	45.0
250.06477	1.5
267.07184	14.4
269.13889	1.2
287.15054	4.6
287.18704	3.7
291.07446	1.0
309.08240	13.8
313.05746	1.0
317.28186	0.7
331.06708	6.0
331.17535	2.0
361.18695	1.6
375.27240	1.1
385.45712	0.8
389.25336	0.7
477.23761	4.2
493.16183	1.1
505.56448	0.8
519.21191	3.3
520.23370	0.7
537.23102	65.3
537.24438	63.4
538.23468	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	537.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.7
57.03317	3.8
58.00471	1.6
59.01250	96.1
60.01585	0.6
67.01758	1.1
68.99690	2.5
69.03339	2.7
69.43382	1.9
69.43801	4.4
71.01252	29.5
72.99180	6.0
73.02812	6.3
75.00739	17.3
75.01126	1.1
81.03344	1.0
82.09673	0.6
83.01273	4.2
83.02366	0.8
84.01933	0.8
84.94995	1.9
85.00331	1.0
85.02821	27.6
87.00751	8.9
87.04395	1.8
89.02309	11.3
91.03885	1.2
93.03352	2.6
95.01259	5.5
97.02840	1.9
99.00752	12.4
99.04426	1.7
101.02318	11.1
103.00256	2.6
103.03925	1.1
108.02007	1.4
109.02883	1.8
109.06473	0.9
111.00761	1.3
112.01640	0.7
113.02325	28.6
115.00280	1.9
115.03893	1.3
117.01840	2.9
119.03422	2.9
121.02888	1.5
122.03639	0.8
123.00799	3.0
123.04432	1.5
124.01575	1.0
125.02331	4.4
129.01851	2.8
131.03444	1.8
134.03624	0.8
135.04446	1.6
137.02365	1.1
139.00273	0.9
143.03421	1.6
149.02336	1.6
149.99510	1.3
151.00264	2.5
151.03935	0.9
152.01062	1.6
153.01869	1.1
156.21762	0.8
161.02353	1.0
161.04483	3.5
163.03911	0.7
163.06032	5.8
163.11331	0.6
164.04674	0.8
165.05373	0.9
165.12827	0.8
166.99797	0.8
167.03447	1.6
168.00600	2.3
169.01314	1.1
173.04529	1.2
175.02463	3.3
175.03860	1.2
176.47141	0.6
179.03368	0.7
190.02711	2.7
191.03262	1.4
191.05600	1.8
192.03159	1.0
193.01353	1.1
193.04941	1.0
195.06583	0.8
202.06262	0.8
205.05084	2.5
205.07190	2.7
206.05402	1.5
207.05391	0.9
207.13919	1.6
209.11792	4.6
223.06122	1.6
225.15027	2.0
227.12866	8.5
231.05128	1.7
245.17561	1.0
249.06129	31.4
250.06645	1.4
251.12975	1.0
267.07239	14.1
269.14023	2.5
271.02579	0.7
283.54095	0.7
287.15009	4.9
287.18140	0.9
291.07431	1.3
302.48047	0.7
309.08228	10.4
309.11334	0.8
315.07425	1.0
331.06769	6.5
331.17706	4.7
339.03653	0.9
349.55527	0.7
361.18951	2.2
375.27780	1.9
389.25598	0.9
475.21902	0.8
477.23605	11.9
493.16531	1.4
500.01254	0.8
519.20422	8.2
537.22571	100.0
537.33252	4.6
538.21576	11.6
538.33557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26896	0.3
55.01749	0.5
55.47537	0.3
57.03326	0.7
58.00472	0.3
59.01252	9.6
60.01611	0.4
61.01674	0.4
61.98701	0.5
63.10123	0.3
65.00185	0.6
65.03836	4.3
67.01754	2.0
69.03307	0.6
71.01256	5.6
71.59461	0.5
72.99173	0.7
73.02827	1.6
75.00741	0.5
81.03316	0.4
83.01255	1.0
85.02820	3.0
87.00760	0.9
87.83817	0.3
89.02309	3.4
91.01766	28.2
92.02081	0.9
93.03339	1.0
95.01250	0.7
97.02767	0.3
99.00745	1.2
101.02306	3.0
105.69734	0.3
107.04889	0.5
108.02050	1.8
109.02831	46.1
110.03174	1.0
111.00751	0.4
113.02310	3.2
119.03391	0.9
121.02837	2.2
123.00723	0.8
123.04416	1.1
123.51044	0.4
125.02314	1.0
129.01823	0.6
131.03369	0.6
133.02838	1.0
134.03618	1.0
135.00769	82.8
136.01088	3.0
137.02328	3.4
147.04370	0.8
148.01530	0.8
149.02332	4.7
149.04373	0.5
149.05931	0.8
150.02870	0.4
151.03903	0.9
151.99149	0.3
152.01042	1.0
153.01833	100.0
154.02179	3.9
155.03433	0.3
161.02364	0.6
161.04425	1.1
161.05878	0.6
163.03897	1.2
163.89276	0.3
164.04689	0.7
165.03955	0.9
165.05334	0.6
165.12756	1.2
167.03432	0.7
168.00526	0.4
173.04439	0.9
175.02484	0.3
175.03918	0.9
177.01871	0.7
177.05486	0.9
179.05554	0.3
179.07077	0.4
181.04970	0.3
183.13806	3.2
187.03964	0.8
190.02672	0.4
191.03488	0.5
191.05484	1.1
193.04970	1.0
195.02921	0.3
199.07614	0.8
205.04973	1.4
223.06085	0.4
227.12822	3.4
228.13219	0.3
229.04955	0.5
229.63602	0.3
243.06577	4.6
244.06783	0.3
249.05963	0.3
297.05930	1.6
309.08090	0.4
310.01361	0.3
327.12250	0.5
328.13141	1.1
345.13428	0.5
361.14944	0.6
375.16452	0.5
375.27417	0.5
389.18329	0.5
389.25375	0.9
416.24036	0.5
417.23904	0.3
429.10324	30.3
430.10623	3.3
493.17822	0.5
507.20187	2.3
537.14197	0.6
537.21912	2.7
537.33057	4.4
538.23120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	2''-Epifraxamoside
Peak:m/z	Relative Intensity
58.00448	0.5
58.66599	0.4
59.00946	0.7
59.01247	11.7
65.00189	0.8
67.01766	0.4
69.03313	1.7
69.45428	2.5
69.45856	1.2
71.01255	6.8
72.99187	1.1
73.02808	0.5
75.00721	0.6
80.02538	0.4
81.03343	2.0
85.02814	1.6
87.00715	0.7
89.01757	0.5
89.02314	10.0
91.01768	16.2
93.03313	1.0
95.01244	1.2
97.02816	1.6
99.00749	1.0
101.02312	1.4
107.01264	1.3
107.04896	0.5
108.02049	21.9
109.02847	7.0
113.02303	1.3
119.03363	0.4
119.04863	0.4
121.02842	1.1
123.00759	8.2
123.04429	0.4
124.01554	1.1
125.02325	1.4
131.03441	0.5
133.02852	1.1
134.03610	0.6
135.00771	17.3
137.02350	4.4
142.01636	0.4
145.02826	0.5
149.02357	2.2
149.32640	0.4
151.00262	2.7
152.01053	22.5
153.01773	1.5
153.73485	0.5
163.03900	0.5
175.00270	0.7
175.03947	0.4
177.01814	1.7
179.03421	0.5
190.02605	1.2
191.05426	1.0
197.06012	2.1
205.04967	1.0
213.05486	1.4
215.06998	1.5
223.06039	0.8
241.05095	0.5
242.05753	2.9
243.06587	100.0
244.06929	5.7
284.03098	0.4
285.03998	1.7
285.07062	0.4
313.03598	0.6
352.05975	0.4
365.09979	1.2
387.10837	1.4
397.25735	0.5
405.11880	13.9
406.12103	1.7
429.10214	3.3
537.16101	65.0
538.16443	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	537.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	0.1
58.00460	0.2
59.01249	4.7
61.28829	0.1
65.00181	0.6
65.03812	0.2
67.01747	0.3
68.99670	0.1
69.03317	0.9
71.01250	4.1
71.29134	0.1
71.35416	0.2
72.99190	0.4
73.02811	0.5
75.00745	0.2
79.01772	0.1
80.02549	0.4
81.03328	1.2
83.01233	0.1
83.68057	0.1
85.02824	0.5
87.00735	0.2
88.98711	0.1
89.01743	0.2
89.02312	5.3
91.01764	13.2
92.02111	0.4
95.01246	1.1
97.02821	0.6
99.00794	0.6
101.02325	0.8
105.03369	0.2
107.01270	0.7
107.04922	0.5
108.02046	16.2
109.02848	5.7
110.03138	0.2
111.00780	0.3
113.02335	0.6
118.89109	0.1
119.03416	0.2
121.02850	0.8
123.00764	5.9
123.04285	0.1
124.01585	0.9
125.02339	0.6
131.03380	0.4
133.02867	0.2
134.03587	0.2
135.00769	14.6
136.01160	0.4
137.02341	3.0
137.03419	0.1
143.03371	0.2
147.04379	0.1
149.02316	0.8
149.04402	0.3
151.00255	1.3
151.03761	0.1
152.01051	18.4
153.01839	6.0
154.02223	0.1
161.02234	0.1
161.04451	0.3
163.03963	0.2
164.04720	0.3
165.01878	0.3
167.03392	0.2
169.06470	0.2
175.00235	0.3
175.03835	0.2
177.01825	0.7
190.02582	1.0
191.03368	0.2
191.05444	0.1
193.05077	0.1
195.02940	0.3
197.06017	1.6
199.07574	0.3
201.01877	0.1
205.05009	1.0
207.02872	0.2
213.05505	1.2
215.07117	0.8
223.06004	0.3
225.05530	0.4
241.05022	0.2
242.05812	2.1
243.06580	100.0
244.06917	6.9
244.09489	0.2
267.07031	0.1
279.05136	0.1
285.04272	0.2
285.07761	0.4
287.22223	0.3
297.06073	2.0
365.10138	0.1
387.10965	0.6
405.11871	9.7
406.12152	0.9
429.10379	1.2
537.16095	27.1
538.16431	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	537.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63173	0.4
57.03340	1.0
59.01252	6.2
59.01530	0.5
61.98729	0.4
64.17972	0.4
67.01759	0.4
69.03333	2.9
71.01253	6.0
71.01613	0.6
71.04893	0.6
72.99185	1.4
73.02834	1.6
75.00770	1.7
81.03344	1.1
83.01266	2.1
85.02831	4.3
85.44785	0.4
87.00765	0.9
88.98681	1.0
89.02325	2.5
93.03358	0.8
95.01260	5.0
95.13270	0.4
97.02814	2.6
99.00761	0.9
101.02328	3.2
107.01276	0.9
108.02042	7.9
109.02863	3.5
111.00779	0.7
111.04365	0.4
113.02329	2.5
118.98446	0.4
119.03383	0.6
121.02823	3.0
123.00772	27.9
123.04377	0.4
123.41083	0.4
124.01570	16.9
125.02339	41.1
126.02665	1.1
129.01877	0.5
133.02916	0.5
134.03668	0.6
135.04468	0.9
137.02365	1.4
139.00140	0.4
143.10698	0.6
147.04372	0.6
149.02342	10.3
149.99489	23.3
151.00287	2.9
151.03914	1.2
152.01068	7.2
153.01845	3.1
161.02336	0.9
161.04504	1.2
163.03896	0.9
164.04709	5.4
165.05367	0.8
166.99748	0.9
167.03429	6.2
168.00551	54.8
169.01295	7.4
169.12233	0.6
171.10138	0.6
173.04407	0.7
175.00325	0.8
179.03423	0.5
179.05600	0.4
179.07109	0.6
181.35922	0.4
190.02649	1.2
190.99799	1.5
191.03381	1.1
193.01337	0.6
200.11082	0.4
205.04956	0.5
206.02202	0.9
221.04553	1.0
223.06125	2.5
245.17563	0.9
249.06125	0.5
266.23325	0.4
269.06580	1.6
284.03070	0.4
285.03906	1.1
287.18393	0.8
302.16858	0.4
313.05640	14.8
313.09305	0.7
314.06046	1.0
315.07166	6.9
316.07617	0.6
331.06689	100.0
332.06973	6.9
375.27432	1.7
389.25363	1.8
447.09088	0.6
477.23221	1.1
537.12225	17.1
537.24176	2.5
537.33154	8.8
538.12384	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62954	0.8
59.01245	4.9
69.03342	3.9
70.90044	2.0
71.01246	4.5
72.99165	1.0
73.02840	0.8
81.03310	1.6
83.01269	1.9
85.02816	2.1
88.29954	0.9
89.02330	1.4
93.03320	1.9
95.01237	2.4
97.02815	3.2
99.00770	0.8
101.02319	3.1
107.01241	1.6
108.02069	1.8
109.02816	2.8
113.02374	1.9
114.12437	0.8
121.02834	1.7
123.00774	8.4
124.01553	25.4
125.02336	52.6
126.02661	2.0
135.00787	0.9
135.04364	1.1
136.01559	1.0
137.02324	6.1
139.00272	1.7
144.04228	0.8
147.04401	0.8
149.02356	7.4
149.99487	40.9
151.00284	8.9
151.03860	0.9
152.01065	1.1
153.01825	4.6
161.02281	1.9
163.00253	0.9
164.04697	4.1
165.01810	1.7
166.99683	1.4
167.03424	1.9
168.00555	70.7
169.01314	11.0
175.00229	2.7
176.28705	0.8
177.01808	1.7
178.99730	1.3
179.03468	1.1
179.07066	1.1
190.02620	9.5
191.03369	2.0
193.01340	1.6
199.07524	1.1
201.07744	0.9
205.04973	10.0
206.99297	1.4
223.06017	3.4
245.04533	1.1
284.03220	1.4
285.03949	4.3
286.04068	5.5
287.04575	5.4
288.04736	3.2
289.04269	0.9
313.05676	4.1
315.04770	1.1
318.07788	1.2
331.06662	17.3
333.02579	2.0
333.09726	2.6
375.27493	1.2
389.25336	2.0
429.10086	2.0
473.93942	0.9
477.23163	1.8
491.10779	2.5
493.11368	11.8
494.11850	1.0
519.11365	2.0
537.12457	100.0
538.12805	15.1
545.28528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43522	0.5
57.03325	0.9
58.00471	0.7
58.68548	0.6
59.01250	9.3
60.98886	1.1
60.99182	15.8
65.00211	0.7
66.13718	0.5
69.03293	0.9
71.01247	6.1
71.35902	1.4
72.99182	1.1
73.02824	2.3
75.00744	1.9
83.01264	1.4
83.04858	0.8
85.02833	3.4
87.00752	1.5
88.98679	100.0
89.02319	4.3
89.98965	0.5
93.03349	1.1
95.01253	1.2
97.02790	0.7
98.62717	0.6
99.00734	0.8
101.02316	5.4
103.03859	0.6
107.01274	1.6
108.02076	3.0
109.02842	2.8
111.00829	0.8
113.02309	2.7
119.03391	2.1
119.04865	0.6
121.02844	0.7
123.00788	1.8
123.04382	0.7
124.01549	1.7
125.02349	5.0
129.01834	0.9
131.03412	0.7
133.02885	3.0
134.03618	1.7
135.04420	1.5
137.02330	2.0
149.02341	4.0
149.99489	2.5
151.00272	4.9
151.03801	0.8
152.01041	3.3
153.01817	2.5
161.02382	1.4
161.04482	1.2
163.03935	1.0
163.06018	2.9
164.04672	1.3
165.05452	0.7
166.02554	0.8
167.03395	1.1
168.00555	5.3
169.01300	2.3
171.10214	0.9
173.04518	1.0
175.00305	1.3
175.03932	1.9
177.01924	0.7
190.02626	2.1
191.03462	0.8
191.05495	1.2
193.01411	0.6
193.05008	1.0
199.03893	1.4
201.11188	0.7
205.04971	1.6
205.06889	0.6
212.04733	0.7
223.06026	1.1
225.07535	0.7
227.03441	0.8
241.04997	0.6
256.03763	2.6
257.04565	0.8
284.03265	38.1
285.04028	86.1
286.04422	4.3
297.03815	0.7
299.05258	0.8
313.05719	1.3
315.07349	2.0
327.05133	1.1
327.08731	1.0
330.11194	2.3
331.06796	4.7
342.10986	1.9
345.09869	0.8
345.13495	6.1
357.09610	1.1
357.13528	3.8
375.27661	1.3
389.25549	0.9
447.09317	98.4
448.09647	11.0
477.23343	1.2
537.11731	6.5
537.25507	1.4
537.32794	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	537.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88469	0.2
55.01737	0.3
59.01236	1.0
69.03322	0.7
69.95670	0.5
69.96086	0.9
71.01252	1.9
81.03332	0.4
83.01279	0.6
85.02824	0.8
85.91575	0.3
89.02305	0.4
93.03360	0.3
95.01265	3.0
97.02826	1.2
98.20477	0.5
98.81308	0.3
101.02311	0.7
107.01270	0.5
109.02812	0.3
113.02336	0.4
121.02827	0.9
123.00762	20.9
124.01555	11.1
125.02331	27.3
126.02631	0.4
134.89418	0.3
135.26172	0.3
137.02339	0.4
147.04449	0.3
149.02336	4.8
149.99484	13.4
151.00175	1.0
161.02338	0.3
163.03876	0.3
164.04683	2.8
166.99768	0.8
167.03410	5.7
168.00545	37.1
169.01297	3.5
175.00278	0.2
178.56665	0.3
179.03470	0.3
191.03378	1.1
195.02898	0.8
205.04968	0.3
223.06096	1.3
269.06647	2.4
273.95309	0.3
313.05621	14.2
314.06049	0.8
331.06677	100.0
332.06992	5.5
336.03934	0.2
369.14343	0.3
375.27203	0.5
537.12445	16.0
537.32690	2.9
538.12689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01742	0.9
57.03322	2.5
58.00469	1.1
59.01249	20.6
60.01581	0.4
61.98713	0.7
64.46633	0.3
65.55644	0.3
67.01747	0.4
69.03327	1.0
69.24814	0.5
69.25142	4.2
71.01247	13.3
71.87516	0.4
72.99174	1.6
73.02823	2.5
75.00742	1.3
78.95780	0.5
81.03342	0.4
83.01245	2.5
83.04922	0.4
84.62452	0.3
85.02822	7.0
87.00744	2.1
87.04399	0.6
89.02316	6.8
93.03334	2.4
95.01257	1.4
95.25388	0.4
96.35075	0.3
96.69043	0.3
96.76820	0.4
97.02835	1.1
97.06472	0.7
99.00750	1.9
101.02322	7.5
108.02072	3.2
109.02848	4.0
111.00753	0.8
111.04371	0.4
111.08002	0.4
113.02332	4.7
119.03408	1.4
119.04932	1.1
121.02846	1.0
123.00708	0.6
123.04414	0.7
123.08074	0.6
124.01541	0.8
125.02331	1.0
125.09602	0.9
127.11231	0.4
129.01831	0.9
133.02805	0.5
133.04938	0.5
133.35721	0.4
134.03654	0.6
135.00795	0.5
135.04408	2.2
137.02342	4.5
137.09618	0.6
139.03944	0.8
141.04044	0.5
143.03394	0.5
145.02838	1.1
149.02335	0.9
151.03894	0.6
152.01064	4.3
153.01866	4.7
153.09067	0.5
155.03407	0.5
155.10628	0.9
159.02887	0.5
160.01547	0.4
161.02350	0.8
161.04495	0.8
163.03893	1.8
163.11125	0.4
164.04691	0.6
167.03424	1.1
171.10158	4.9
173.04442	1.5
173.05894	0.4
175.03845	0.5
177.01852	0.5
179.03447	0.9
183.13855	1.0
189.09193	0.5
191.05568	1.1
193.05000	0.8
197.11740	0.4
198.12021	0.5
201.14871	0.5
205.05032	0.6
213.09169	0.5
223.06104	0.5
225.11337	0.5
237.07755	0.5
243.10248	0.7
249.06145	0.7
250.93433	0.3
256.94336	0.4
267.07208	2.5
268.03644	0.4
268.07489	0.5
271.19199	2.3
285.03989	0.6
285.20886	0.5
327.21762	2.0
331.08182	0.4
331.11856	0.9
353.08896	0.4
355.24838	3.9
356.25479	0.5
373.25928	14.0
374.26297	1.3
475.29291	1.3
493.29813	0.6
505.17340	0.6
517.30188	2.7
535.31232	100.0
536.19849	0.7
536.22015	0.6
536.31470	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	535.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.0
57.03314	1.0
58.00461	2.0
59.01249	68.4
59.98357	0.7
64.75047	0.7
69.03316	2.7
69.34701	5.1
71.01251	28.3
72.99181	3.9
73.02815	14.0
75.00734	0.8
81.03330	1.6
83.01261	3.0
83.04910	0.9
85.02816	11.1
85.99969	0.8
87.00746	4.3
87.04370	0.8
89.02319	17.6
93.03348	1.9
95.01262	1.8
96.95902	0.6
97.02841	3.3
98.19739	1.3
99.00768	3.0
99.04401	1.7
101.02321	27.7
102.02705	0.9
103.03192	1.1
103.03882	20.5
109.02838	1.6
109.35121	0.6
113.02307	3.9
115.03925	1.4
119.03390	8.5
119.04923	2.0
121.02829	2.3
125.02332	18.5
127.03882	1.7
131.03354	3.0
134.03629	3.6
134.04504	0.5
135.00790	0.8
137.02370	2.0
137.49345	0.6
141.04095	1.2
143.03401	4.5
145.04996	4.3
149.02411	0.6
149.06017	0.6
161.04445	1.3
163.03873	2.0
163.06027	27.8
167.03481	3.0
167.10686	100.0
168.11050	3.7
175.03874	1.0
187.07544	0.6
191.05530	1.1
191.10844	1.0
193.04956	3.9
199.02162	1.4
205.07089	6.0
247.08171	3.9
269.52142	0.7
287.04489	0.6
289.09308	0.9
307.10339	13.6
313.23859	2.7
373.25955	0.8
475.21738	1.9
475.28439	0.9
493.17429	1.1
493.29715	0.7
535.18390	1.1
535.31061	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
57.24403	0.3
59.01245	4.4
61.98689	0.9
69.03316	0.6
69.70089	1.9
71.01261	2.2
73.02796	0.6
73.19273	0.3
78.95765	0.7
83.01261	0.5
85.02823	1.9
87.00751	0.5
89.02308	0.7
90.91866	0.4
93.03342	1.5
94.03699	0.3
95.01292	0.4
96.95890	0.5
97.02847	0.4
99.92719	0.3
101.02309	0.8
108.02036	0.6
111.08062	0.4
113.02324	2.5
113.23152	0.3
119.04913	100.0
120.05254	3.9
125.02331	0.4
137.02362	1.0
139.07558	0.4
145.02821	0.3
152.01022	0.8
161.04466	0.9
163.03914	64.3
164.04262	2.7
165.12759	6.4
166.13075	0.3
183.13824	17.2
184.14207	0.6
205.05090	0.4
209.11748	0.9
223.37128	0.3
227.12822	14.4
228.13329	0.8
249.15228	0.3
251.12866	1.1
275.12985	0.4
285.04019	0.6
293.13928	2.4
307.08124	4.5
325.09363	2.2
352.24136	0.4
371.17087	5.4
372.17352	0.8
517.20990	1.3
535.21893	18.4
536.22144	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03323	0.9
58.67114	0.6
59.01247	10.0
62.91459	0.6
69.24030	3.2
69.24462	4.0
71.01256	6.2
73.02808	1.6
83.01240	1.3
85.02831	4.6
87.00759	1.2
89.02334	1.6
91.01772	0.8
93.03339	2.5
95.01270	0.9
98.43078	0.7
99.00759	0.8
101.02338	2.3
102.45853	0.7
108.02055	2.9
109.02841	2.3
113.02328	3.9
114.60826	0.5
119.01268	6.3
119.04929	0.9
121.02856	5.0
122.03630	15.8
123.00747	1.2
123.04433	3.3
132.02122	0.7
134.03654	3.5
135.04434	9.1
137.02356	1.0
147.00824	3.2
147.04407	1.0
149.02357	20.5
149.05911	1.1
151.00262	1.4
151.03954	1.2
152.01051	2.9
153.01801	1.6
153.05493	1.1
160.01575	1.8
161.02339	1.7
161.04530	0.9
163.03946	2.5
164.04715	20.0
165.01846	2.5
165.05162	1.5
167.03474	1.6
173.04260	0.6
175.00298	38.1
175.03786	3.9
176.00993	3.5
177.01843	1.4
179.07068	3.2
189.01863	1.6
190.02655	94.5
191.03214	7.6
191.05542	1.6
192.00580	0.8
193.01376	1.0
193.05017	4.7
193.49158	0.6
205.05011	100.0
206.05347	4.4
207.02936	2.9
208.03697	1.6
209.04466	1.2
217.01378	1.0
223.06076	25.5
224.06540	1.3
239.03508	1.2
247.06047	1.6
257.04565	2.0
267.07285	0.8
271.06177	0.8
272.06900	2.7
273.07214	0.7
287.09152	5.8
297.09949	0.9
301.10800	0.9
329.10294	13.5
329.13895	0.8
330.10654	1.7
337.05670	3.5
352.07837	4.8
353.08774	5.8
355.07181	1.3
355.11841	0.8
357.07928	0.7
361.34030	0.7
367.10345	41.5
368.10641	3.7
384.08392	0.8
385.08231	0.8
415.23376	1.0
450.78479	0.8
491.15607	46.9
492.15860	7.7
503.11917	2.2
517.13245	0.6
527.49701	0.8
535.13812	12.8
535.20923	1.0
536.10187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.2
59.01250	49.9
67.01756	0.8
69.03324	2.5
69.22677	0.8
70.51701	1.8
71.01250	18.9
72.99185	2.1
73.02808	8.4
73.31565	0.7
75.00757	2.8
82.28111	0.7
83.01247	4.3
83.04907	2.5
85.02822	11.7
87.00751	2.9
87.04403	2.7
89.02305	9.2
91.01758	1.7
91.35201	0.7
93.03320	4.2
95.01267	3.0
96.95894	1.5
97.02830	1.8
99.00765	3.2
99.04425	1.0
101.02329	10.6
101.65829	0.8
104.72444	0.8
107.04937	0.9
108.02052	28.2
109.02853	4.3
111.00784	1.8
113.02326	8.3
117.03313	1.3
119.01273	6.2
119.03387	2.9
119.04917	1.5
121.02853	6.0
122.03642	13.0
123.00768	2.1
123.04424	12.9
124.01573	3.3
124.04773	1.1
125.02338	7.1
129.01814	1.2
133.02855	0.9
134.03639	7.6
135.02861	1.8
135.04408	8.0
137.02322	2.3
139.00299	0.8
139.07574	1.0
143.03433	1.2
145.02916	1.8
147.00757	4.7
147.04413	3.2
148.01582	1.0
149.02342	26.5
149.05991	3.5
150.03059	1.4
151.00276	1.1
151.03920	2.2
152.01056	48.3
153.01717	3.2
155.03387	1.2
159.02910	1.1
159.10017	1.0
160.01566	2.5
161.02403	2.6
161.04454	5.7
162.03047	0.9
163.00259	1.5
163.03966	4.3
164.04700	20.3
165.01833	4.3
165.05315	1.7
166.02524	1.7
167.03410	51.5
168.00577	1.6
168.03725	1.7
173.04457	2.6
175.00282	38.4
175.03897	4.1
176.01044	3.8
177.01843	2.6
178.02647	1.2
179.03426	3.3
179.05588	1.4
179.06964	5.5
183.06644	1.0
185.00896	1.1
185.95927	0.8
189.01891	1.3
190.02640	99.2
191.03239	8.7
191.05377	4.3
192.99596	1.7
193.01376	2.2
193.05034	3.3
199.07642	0.8
205.04996	100.0
206.05345	5.1
207.02863	2.5
208.03667	2.2
209.04564	1.7
223.06052	28.6
224.06403	1.9
227.06963	4.1
232.03659	1.2
237.07658	1.7
239.03462	1.1
247.06100	1.5
249.06041	2.0
255.02856	1.3
257.04446	1.9
267.07104	1.7
271.06168	1.2
271.19064	1.0
272.06833	3.4
280.87418	1.0
287.09174	4.6
303.14566	2.3
327.18140	1.0
329.10391	12.1
330.10489	1.5
331.08356	1.3
337.05606	3.2
345.19437	1.7
352.07983	7.6
353.08609	4.6
359.10129	1.0
363.16339	1.3
367.10321	43.8
368.10583	3.6
373.12955	1.3
373.25772	1.8
387.23929	1.2
415.23367	5.7
433.24417	3.7
475.25375	2.9
491.15601	47.3
492.15671	5.3
503.11911	3.1
535.14575	21.2
535.23749	7.7
535.31378	5.4
536.14709	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	4.9
71.57777	1.0
78.95774	6.8
80.45058	0.4
85.06455	1.2
96.95850	0.8
110.98411	4.7
123.08042	0.5
139.15840	0.5
145.02843	0.6
163.03854	0.5
165.12679	0.8
166.62207	0.5
167.01035	1.5
174.99179	1.1
181.12245	0.6
185.02119	4.2
192.95921	0.6
199.13327	14.4
200.13580	0.5
217.00253	2.1
228.33734	0.6
261.18692	0.7
279.19626	7.5
284.03244	1.9
285.03976	2.1
334.77087	0.5
347.25961	7.6
348.26041	1.2
354.09976	0.9
363.25461	0.7
365.26929	100.0
366.27328	12.0
374.99225	0.9
391.17871	1.1
489.10400	2.5
498.66168	0.6
533.28833	14.5
534.29028	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	533.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.0
57.03328	4.6
59.01249	52.1
61.98703	5.4
69.03342	1.9
71.01250	25.8
71.04898	1.8
71.58430	2.6
72.99171	4.9
73.02825	11.9
74.69078	1.7
75.00749	3.7
83.01229	4.7
85.02831	15.4
87.00751	6.6
89.02311	12.1
95.01269	3.7
96.95860	3.9
97.02856	2.2
99.00747	7.6
101.02321	14.3
106.06517	1.7
108.02036	4.4
108.08059	5.2
109.02814	4.7
111.00745	2.5
113.02328	14.2
117.03342	28.1
119.03365	2.1
119.04911	20.2
120.08098	2.9
121.02836	2.3
123.00702	1.9
123.04391	3.4
125.02328	4.0
133.02831	4.6
134.03641	4.0
134.07475	1.5
135.04347	4.9
137.02309	3.1
143.03467	2.2
145.02855	100.0
146.03136	4.7
148.53667	1.6
149.02376	2.4
149.05978	9.8
151.00255	3.6
152.01071	3.2
153.01782	2.9
159.02803	1.9
160.01573	3.3
161.02351	6.6
161.04451	5.7
163.03928	39.0
167.03383	2.7
173.04376	2.7
173.46472	1.7
175.03957	4.3
177.01793	2.1
180.91788	1.7
183.13809	2.0
190.02597	3.3
191.05522	4.1
193.05029	2.9
196.06104	8.8
205.05104	1.9
209.11862	1.6
243.06564	2.0
249.06068	2.6
267.03375	1.9
284.03241	28.3
285.03986	48.8
285.18481	4.1
286.04416	5.4
311.22272	5.4
315.18314	2.6
327.17783	1.9
329.17575	3.1
371.28131	2.3
372.24716	2.1
447.09344	1.8
447.22311	6.9
448.67825	2.0
489.10309	37.4
489.23026	13.7
490.10501	6.1
531.51807	2.2
533.23749	46.4
533.32886	20.3
534.24255	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42142	0.3
57.03320	1.8
59.01249	2.7
63.85844	0.4
65.40937	0.4
67.01770	0.6
69.97807	1.6
69.98224	0.8
71.01254	1.7
73.02819	0.5
80.48575	0.4
83.01252	0.6
85.02338	0.8
85.02822	11.1
87.00746	5.1
89.02313	0.7
89.27427	0.3
89.51000	0.4
93.03333	2.9
101.02336	1.2
109.02838	0.7
111.00770	0.6
111.04395	1.2
113.02328	0.7
119.03419	0.5
125.02325	0.4
127.03884	1.7
129.01849	2.5
135.04402	1.9
147.02893	1.2
148.05238	0.3
171.02902	0.6
173.04428	1.5
179.03461	1.1
191.02031	3.2
191.05537	100.0
192.05827	3.0
209.03011	0.9
317.36652	0.4
420.71979	0.4
533.15253	2.2
534.15668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.7
59.01243	5.7
67.01751	1.6
69.87565	2.0
69.87963	3.6
71.01246	4.4
73.02818	1.6
75.00742	1.3
83.01242	1.8
85.02820	15.6
87.00758	2.0
89.02309	1.8
93.03340	11.2
95.01292	1.1
96.95881	3.5
99.00745	1.6
107.04899	1.6
109.02831	15.2
111.00764	1.8
111.04429	3.1
113.02325	2.1
117.03335	2.0
119.04902	1.8
121.02827	2.3
123.04389	3.7
125.02370	1.1
127.03954	1.2
129.01811	3.9
133.02855	2.4
134.03600	3.7
135.04410	79.5
136.04781	2.3
137.02356	8.8
143.04881	1.4
149.02338	1.1
151.03932	1.1
153.01836	1.9
154.59814	0.8
155.03378	4.4
160.03940	0.9
161.02359	9.2
162.02750	1.0
163.03918	1.5
165.05504	0.9
173.04474	15.7
175.03944	2.3
179.03421	60.7
180.03793	2.6
190.02660	1.0
191.05540	100.0
192.05875	3.8
197.04503	1.2
202.08049	0.8
203.47661	0.8
205.01450	1.6
205.03439	2.9
205.05089	1.1
209.08156	1.2
219.02737	1.7
223.04298	1.3
223.06247	1.2
245.38799	0.9
265.08652	1.0
267.07297	1.1
271.09714	1.2
297.07574	3.2
315.08591	1.6
327.08682	7.3
335.07678	4.5
336.07822	0.9
341.06516	2.4
353.08752	32.0
354.08939	1.5
359.07486	4.4
371.09824	17.1
445.13568	0.9
482.07748	0.9
489.12576	5.4
533.12268	12.1
533.19769	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	533.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.3
57.03312	0.5
59.01252	2.3
68.69763	0.3
69.59151	2.8
71.01257	1.9
73.02806	0.7
79.01786	0.5
83.01248	0.4
85.02811	1.1
87.00751	0.6
87.12540	0.3
89.02332	0.8
93.03323	1.6
95.01285	0.4
98.20518	0.4
101.02319	0.9
106.99025	0.3
109.02836	0.6
111.04393	0.3
113.02316	0.7
117.03347	5.2
119.04898	1.3
121.02863	0.6
123.04388	0.9
133.02873	0.7
133.06450	0.4
135.04424	3.0
136.25299	0.3
137.02345	0.5
145.02815	0.5
147.04446	0.8
149.02315	1.0
149.06041	0.5
151.03894	0.4
159.04442	0.3
161.02353	2.4
161.04539	0.4
161.05919	0.4
163.03896	1.5
173.02371	0.3
173.04454	0.8
175.03902	1.8
177.01846	0.8
177.05519	1.1
179.03372	1.0
189.01848	1.1
191.03439	1.9
191.05484	1.5
197.05960	0.4
203.03404	1.5
205.01242	0.6
215.03496	0.7
217.04950	1.0
221.04468	0.8
222.06680	0.5
225.05487	0.5
233.04507	1.0
237.05594	0.5
238.06200	0.5
245.04539	0.4
250.35529	0.3
253.08841	0.6
267.06662	1.0
268.07339	1.2
279.06601	0.4
281.04504	1.0
282.05255	1.4
283.06149	3.9
293.04495	0.4
293.08051	0.5
294.05280	1.1
295.06137	5.4
296.06891	2.8
297.04495	0.5
297.07651	15.0
298.05078	0.4
298.08060	1.3
299.05719	0.7
307.06110	2.0
309.07800	2.4
311.05518	3.2
314.04309	0.5
323.05508	3.8
324.06216	0.5
325.07120	7.5
326.07626	0.7
327.04999	2.8
328.05826	3.1
329.06924	0.8
329.97827	0.4
335.05588	1.4
337.07162	3.3
340.05701	0.4
341.06519	1.0
349.07242	0.4
353.06644	28.2
354.07043	2.7
355.08276	1.0
356.05219	1.0
365.06622	5.7
366.07071	0.6
366.14435	0.4
377.06622	0.5
383.07697	23.4
384.08078	1.5
386.06570	0.5
387.19980	0.4
389.06604	0.5
395.07553	2.7
397.09384	0.4
407.07635	0.9
413.08673	3.6
425.09039	1.8
443.09814	13.8
444.10205	0.8
455.09668	0.9
473.10779	5.0
474.11172	0.6
489.10654	0.6
500.04706	0.4
515.11639	1.9
515.90894	0.4
533.12970	100.0
534.13306	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	533.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35609	0.5
56.01764	0.5
56.88032	0.4
59.01252	4.7
60.18918	0.5
66.77589	0.5
69.03334	0.6
71.01250	2.7
72.99164	0.5
73.02805	0.8
73.72680	0.5
74.02323	0.7
75.00751	0.6
75.61254	0.4
82.73289	0.5
83.01217	0.5
85.02839	3.2
87.00723	1.8
89.02319	1.1
91.61108	0.6
93.03316	3.8
95.01285	0.9
96.95876	1.2
98.19756	1.1
99.05536	0.8
101.02301	1.2
107.01218	0.6
109.02807	0.8
111.04392	0.9
113.02317	1.6
117.03344	5.4
119.04918	1.2
121.02827	1.5
123.04399	1.1
128.03404	1.8
134.03607	0.8
135.04454	3.3
135.05371	0.7
137.02313	0.8
143.04507	2.7
145.02820	0.5
147.04388	0.9
149.02335	1.6
150.03088	0.8
154.02679	0.5
159.04373	0.9
160.00577	0.8
161.02321	3.4
161.05991	0.8
163.03877	2.1
165.05496	0.6
173.04523	1.2
173.05942	1.1
175.03822	2.4
177.01836	1.3
177.05414	1.7
179.03348	3.1
185.02306	0.5
187.04005	0.8
189.01837	0.6
189.05490	0.9
191.03448	1.5
191.05502	3.1
203.03403	1.4
205.05051	0.8
209.06021	0.7
210.08824	0.6
217.05003	1.0
221.04437	0.7
223.04498	1.2
224.08374	0.6
233.04482	1.0
239.03436	0.6
245.04494	0.9
253.08690	0.8
257.04382	0.6
267.06842	1.3
268.07272	1.2
271.06210	0.6
272.08850	0.8
281.04355	1.0
282.05420	2.5
283.06107	5.3
284.03201	0.6
287.09213	2.3
294.05081	0.6
295.06073	6.1
296.06830	2.9
297.07645	20.0
298.07971	1.7
306.07703	4.4
307.05966	2.9
309.07556	2.6
311.05606	4.2
321.03925	0.8
321.07718	0.8
323.05627	5.5
323.09027	1.0
324.06158	1.2
325.07147	9.5
326.07449	0.7
328.05737	3.8
335.05530	1.2
336.06021	0.7
337.07190	3.7
341.06549	1.1
351.04880	1.3
353.06635	38.5
354.06992	3.9
355.08200	1.2
356.05350	1.8
359.10486	1.0
365.06668	7.7
366.06833	0.7
383.07693	30.5
384.08078	2.5
395.07864	2.7
407.07599	1.5
413.08804	4.0
425.08661	3.1
443.09790	15.4
444.10474	1.0
455.09766	1.5
473.10861	7.8
474.10867	0.7
514.04449	0.6
515.11859	1.8
533.12933	100.0
534.13257	10.4
534.20856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0949
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
51.02954	0.5
52.63272	0.4
57.03310	1.0
59.00980	0.8
59.01250	8.6
59.80610	0.4
59.84521	0.4
63.02282	0.6
63.83282	0.5
65.00181	1.1
67.38058	0.4
69.03304	0.7
69.47114	3.9
71.01260	3.0
72.99179	0.5
73.02820	1.4
75.00742	1.0
79.95601	2.6
81.03369	0.6
81.57893	0.5
82.32768	0.5
83.01257	1.1
85.02826	2.3
87.00755	0.8
89.02309	1.7
93.03351	1.3
95.01266	0.8
95.90903	0.4
96.95892	100.0
97.02837	0.9
101.02349	1.4
107.01280	1.4
108.02052	3.5
109.02839	1.9
113.02347	1.7
119.04913	0.8
121.02835	1.2
123.04426	0.7
125.02308	1.9
133.02840	2.9
134.03629	2.1
135.04416	1.0
137.02338	0.6
145.02896	1.6
149.02345	1.2
149.06026	0.5
151.00266	4.3
152.01045	4.1
153.01784	1.6
160.01578	2.7
161.02321	2.0
161.04356	0.5
167.03482	1.0
171.04428	0.7
171.06514	0.5
171.54543	0.6
173.04466	1.1
175.02553	0.7
175.03880	2.8
177.01851	1.2
179.03430	0.6
191.05597	1.2
192.00668	0.6
193.01366	0.7
193.04968	0.9
194.00903	0.8
199.03986	1.5
200.04793	0.7
203.03409	1.5
211.03944	0.8
217.05020	0.6
227.03485	1.5
241.05174	0.5
243.02963	1.5
255.02965	1.6
256.03708	3.5
257.04553	0.9
267.07352	1.5
268.03778	1.3
269.04559	1.3
270.01819	0.5
271.02478	1.7
273.07639	1.0
283.02628	0.8
284.03253	33.6
285.04022	51.2
286.04459	4.3
297.03946	0.6
299.02017	4.0
300.02640	0.6
313.03500	1.0
314.04260	6.6
315.05197	1.3
327.04950	0.8
329.06677	11.2
330.06683	1.6
339.07266	0.6
387.16650	2.2
403.05051	0.6
443.96692	0.6
452.84290	0.5
473.10867	0.8
489.10397	37.9
490.10681	4.4
515.11481	0.8
533.12292	7.0
533.19135	1.5
533.30200	0.8
534.13007	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	531.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	87.2
61.98690	3.5
68.06222	3.3
70.60655	3.5
70.60980	7.4
71.01256	31.1
72.58241	2.7
73.02818	5.0
75.00737	3.7
85.02816	13.9
89.02322	22.4
93.03342	4.1
95.01249	6.4
97.02811	3.9
99.00767	13.2
101.02309	20.1
111.08046	11.7
113.02332	14.7
119.03387	7.2
119.04906	10.1
125.02348	7.8
131.03407	3.6
131.69064	3.3
147.04446	4.1
161.04469	7.5
165.12735	5.1
169.12343	3.4
174.54887	2.8
179.05551	7.0
191.05606	4.2
197.11734	27.1
209.11867	4.4
284.03345	4.3
291.19699	15.8
300.02438	3.5
301.03680	3.6
309.20688	100.0
310.21039	8.8
313.07230	5.1
369.13538	4.0
404.75244	3.6
411.14212	10.9
441.15433	7.1
442.16315	3.7
444.92593	3.8
463.08826	6.0
531.28589	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.9
57.03323	98.7
57.36414	0.9
58.00458	1.0
58.03658	1.2
59.01249	98.2
59.25034	0.8
67.01782	1.0
69.03304	2.2
71.01253	34.8
71.58675	1.3
72.99171	2.2
73.02816	11.2
75.00730	1.8
81.03327	2.8
83.01259	6.3
83.04905	1.1
85.02818	14.7
87.00744	4.9
87.04385	1.0
89.02319	20.6
93.03350	2.8
95.01273	2.5
96.95858	1.1
97.02811	1.7
99.00774	4.5
99.04395	100.0
100.04741	2.7
101.02319	48.8
103.03900	2.4
109.02840	1.7
113.02317	13.2
115.62848	0.8
117.03365	1.7
119.03499	7.9
119.04914	55.0
120.05249	2.5
121.02852	1.6
125.02336	49.6
126.02616	1.2
126.74995	0.9
129.01912	1.6
131.03384	1.0
133.02859	1.1
134.03625	6.8
135.04393	1.0
137.02292	2.4
137.09642	2.8
143.03397	5.3
145.02838	3.1
147.04483	1.0
148.05281	1.2
149.02344	1.6
149.04469	1.0
149.05872	0.8
151.00275	1.7
151.11227	2.0
153.01862	4.4
153.12775	1.8
155.03403	1.7
159.02922	2.1
160.01588	1.5
160.03906	3.1
161.02472	1.1
161.04460	6.9
163.03925	48.6
163.06020	1.9
164.04468	2.5
173.04425	2.8
175.00241	1.9
175.03918	2.5
178.02625	5.2
179.05525	3.3
181.05003	1.7
187.30185	0.8
189.12852	1.2
190.02623	4.4
191.05545	2.6
193.04980	10.5
194.05321	1.0
205.05003	3.9
207.13850	1.1
223.06065	2.6
225.14919	13.8
226.15277	0.9
284.03226	3.1
285.03937	3.6
301.03455	1.6
307.10300	1.1
317.16995	0.9
337.09317	2.0
367.10303	2.8
369.19104	14.1
370.19440	1.3
387.20227	45.3
388.20657	5.5
390.09256	0.9
429.21323	22.2
430.21576	2.8
469.24377	4.6
487.25381	1.9
531.13916	3.2
531.24310	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	531.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39411	0.9
54.12440	0.8
55.01749	1.9
56.23412	0.8
56.35797	0.9
57.03320	10.4
58.00467	1.0
59.01249	90.8
67.01747	2.6
68.99687	3.4
69.03328	3.8
71.01250	36.9
71.04897	1.1
71.58852	1.7
72.99177	9.4
73.02815	16.5
75.00746	25.1
79.05377	1.0
81.03317	2.9
82.96376	0.9
82.96928	0.8
83.01250	3.3
83.04896	3.2
85.02821	37.7
85.68688	0.9
86.03149	0.9
87.00749	14.0
89.02316	13.1
91.03871	1.4
93.03330	9.8
95.01268	8.8
95.04891	2.2
96.37430	1.0
96.95878	2.8
97.02859	2.3
97.06414	1.0
99.00755	14.7
99.04395	1.6
101.02312	6.4
103.00253	3.7
107.04907	2.2
108.02043	2.6
109.02839	5.1
111.00745	3.2
111.04384	1.0
113.02329	40.7
115.00251	5.1
117.01823	4.2
117.03316	2.7
117.43202	0.8
119.03375	1.0
119.04919	8.1
121.02828	1.8
125.02339	1.9
125.05954	2.2
127.03894	1.1
129.01811	3.3
131.03403	1.4
132.02025	1.5
133.02815	2.4
133.05032	1.0
134.03624	9.3
135.04387	4.0
137.02364	9.1
139.00218	1.3
139.05049	1.0
143.03334	1.3
143.04837	1.2
145.02829	8.3
145.10152	1.8
149.02330	1.3
149.04486	1.2
149.05984	1.5
151.00281	1.4
151.03876	1.5
151.07608	1.8
152.01060	1.4
153.01816	2.3
157.01266	1.6
158.87514	0.9
160.01563	7.4
161.02315	2.0
161.04431	2.4
161.09607	2.7
161.13161	1.3
163.03893	12.5
163.11185	3.6
164.04590	1.6
165.05463	1.0
165.60754	1.1
173.04442	4.5
175.00325	1.7
175.02377	8.3
175.03917	9.1
177.01830	1.8
177.05505	1.0
178.02563	2.3
178.06281	2.7
179.03377	2.9
187.03906	2.0
187.11212	7.1
188.11531	1.1
189.09114	2.7
190.02638	1.6
191.05516	4.4
193.04971	13.3
193.08603	6.2
203.03311	1.1
205.05077	1.6
205.07060	1.4
205.12263	2.9
207.05069	2.1
207.08257	1.5
207.10147	8.3
225.05464	1.0
231.05115	2.7
249.06125	39.1
249.11302	1.2
250.06534	2.3
252.04181	2.3
253.04953	4.7
263.12802	2.0
267.07184	100.0
268.03827	2.3
268.07480	4.1
269.04510	2.0
281.14029	1.6
285.04031	3.0
300.02640	2.1
301.03641	2.3
337.09280	4.4
353.08621	1.2
369.09641	1.2
394.03799	1.0
430.25513	1.0
457.17120	2.5
463.08856	2.7
486.34763	1.4
513.19727	4.8
531.20868	78.5
531.27930	3.4
532.21002	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	531.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63115	0.6
55.01753	1.1
57.03325	12.4
59.01249	45.8
67.01751	2.5
68.99673	3.4
69.03323	2.9
70.54851	2.4
71.01250	30.5
71.04895	1.5
72.01566	0.7
72.99173	1.0
73.02820	3.4
81.03331	0.7
83.01254	3.0
83.04880	2.8
84.02046	1.4
85.02818	33.9
86.03156	1.0
87.00751	15.9
89.02319	3.5
91.03879	1.9
93.03344	3.8
95.01257	6.1
96.95905	1.1
97.02765	1.0
97.06448	1.3
99.00751	1.8
99.04385	5.8
100.01560	0.8
100.04708	1.2
100.32037	0.6
101.02323	5.3
103.00254	2.8
107.04893	2.0
109.02831	1.4
111.00777	4.2
111.04435	1.4
111.59049	0.6
112.01530	1.3
113.02327	47.0
115.00251	1.8
117.03330	1.1
119.03473	1.1
119.04915	20.3
121.02836	1.1
122.99477	0.6
123.04379	2.3
125.02306	1.8
125.05968	1.2
127.03879	1.0
129.01828	5.7
131.03401	1.4
134.03635	4.0
135.02878	0.7
135.04457	4.6
135.11659	1.8
136.04739	0.9
137.02348	1.8
139.00266	2.1
143.03383	1.1
145.02797	0.7
147.08041	0.7
149.02301	1.0
149.05934	1.4
151.03900	1.1
152.04720	1.1
155.03452	1.3
157.01318	1.9
159.08023	0.6
160.01549	0.9
161.02336	0.9
161.04453	2.7
161.09621	7.0
161.13269	6.0
161.14481	0.7
161.15094	0.7
163.03914	20.3
163.11211	2.5
164.04291	1.2
165.05463	2.4
173.04465	3.6
174.04770	1.2
175.02461	0.9
175.03824	0.9
177.05479	1.4
178.02646	0.8
179.03418	2.3
179.10695	1.6
180.03802	1.6
187.11201	6.6
189.03993	1.1
189.09070	3.4
190.02602	2.1
191.05530	1.6
193.04961	11.3
194.05307	1.5
195.05409	0.8
205.05011	2.8
205.07097	4.8
205.08734	0.8
205.12274	6.9
207.10188	2.9
223.04271	0.8
223.06198	1.4
223.13310	4.5
231.05072	1.5
249.06139	8.9
249.11305	1.5
250.06328	0.8
263.07690	9.2
267.12338	1.7
281.08765	56.1
282.09097	2.6
283.06046	1.1
285.04132	1.4
301.03702	0.9
311.05731	1.3
323.09955	1.2
333.07562	1.5
337.08737	1.4
341.16025	3.0
354.09818	0.8
355.09308	0.9
367.10245	1.5
369.09988	0.8
411.14432	1.7
441.15469	0.9
455.19360	1.6
469.20758	1.8
471.18735	2.8
499.18228	6.4
500.18283	1.1
513.19745	1.3
531.20831	100.0
532.21198	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	531.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63988	0.8
57.03320	2.3
57.63583	0.7
59.01251	19.4
59.05357	0.7
67.01737	1.0
69.03320	3.2
71.01254	10.8
72.70556	0.8
72.99184	2.0
73.02820	3.0
75.00747	2.2
81.03354	0.9
83.01262	2.0
83.14511	0.8
85.02824	9.5
87.00747	2.9
89.02306	4.6
93.03345	6.9
95.01245	2.0
96.95887	4.0
97.02795	0.9
98.20550	1.7
99.00756	2.7
99.04398	1.7
101.02311	6.3
108.02042	1.4
109.02810	2.2
111.00751	2.2
113.02299	6.5
113.45486	0.8
115.00247	1.2
117.03340	6.9
117.05425	2.3
119.01258	2.1
119.04911	71.2
120.05241	1.8
121.02843	9.5
123.04388	1.2
125.02316	1.5
129.01797	2.0
132.02061	5.0
133.02856	10.1
134.03622	78.2
135.04341	4.9
136.04753	1.0
137.02351	15.3
139.03894	3.7
145.02838	13.6
147.00752	1.9
147.04446	4.0
149.02336	30.3
149.05978	19.9
150.03061	1.3
151.07494	0.9
152.01027	1.7
153.01666	0.9
155.03365	1.4
159.02721	0.8
160.01550	18.4
161.02336	16.5
161.04466	3.0
162.02879	1.0
163.03908	75.1
164.04675	20.3
165.01805	1.9
173.04425	6.6
174.04866	1.2
175.00261	13.1
175.02599	1.3
175.03897	28.1
176.01056	1.9
176.04156	1.0
177.01857	3.3
177.05481	2.6
178.02625	39.7
178.06171	1.4
179.03346	4.4
179.06920	3.8
185.00726	1.3
189.01987	0.9
190.02628	34.2
191.03419	6.5
191.05339	5.4
192.04170	10.6
193.04976	100.0
194.05344	3.8
194.08945	1.9
205.04993	37.4
206.05435	1.6
207.06544	12.4
208.03708	1.2
209.04503	1.1
223.06078	31.8
224.06425	1.0
247.06099	2.1
249.06142	1.1
267.07141	1.0
269.04340	0.9
281.08945	1.6
284.03445	1.0
285.04028	2.0
301.03391	1.4
307.08203	2.1
322.06998	1.8
323.07712	20.3
324.07944	1.1
325.09003	3.8
337.05789	1.4
337.09250	27.8
338.09515	1.8
351.08856	2.8
352.08026	3.5
353.08710	2.3
353.39771	0.8
367.10297	26.0
368.10876	1.4
369.12375	1.5
387.20218	1.0
435.25922	1.1
443.22314	1.1
463.08466	1.0
468.33542	1.0
486.35519	1.0
495.31662	1.1
529.39032	0.9
531.14648	9.2
531.28760	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	531.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68377	0.6
57.03311	1.6
57.56121	0.7
59.01248	5.5
67.01760	1.4
69.03312	1.2
71.01250	4.9
72.99183	1.3
73.02809	0.9
75.00742	0.7
77.97736	0.7
81.03316	1.0
83.01260	0.8
85.02823	14.6
87.00748	5.6
89.02309	1.9
91.01766	2.1
93.03328	15.0
96.95872	3.1
96.99176	3.3
98.19754	1.6
99.00781	0.9
99.04408	0.8
101.02309	2.1
108.02052	1.9
109.02819	2.2
111.00757	1.8
111.04389	3.1
113.02309	1.8
117.03362	1.7
119.04910	11.5
121.02803	0.7
123.04420	5.9
125.02301	0.7
127.03876	2.7
129.01822	2.0
130.01993	0.6
131.04907	1.3
133.02800	2.0
134.03632	10.6
135.04420	11.5
135.44951	0.7
137.02345	2.8
141.76494	0.6
143.04909	6.9
145.02829	1.8
145.77916	0.7
146.03616	3.5
147.02867	0.9
147.04395	1.8
148.05173	0.9
149.02367	1.9
149.05948	1.5
150.03101	1.9
151.03903	2.8
153.05481	3.2
155.03407	1.2
156.54805	0.6
158.03633	1.6
159.04425	3.5
160.01593	1.1
160.03922	1.7
161.02351	0.7
161.05922	1.1
163.03902	9.3
165.01877	0.7
165.05490	0.9
166.02657	1.4
171.04422	0.7
173.04482	10.3
173.05856	1.4
175.03856	1.3
178.02557	1.2
179.03464	1.1
181.04948	1.9
181.06416	0.8
190.02629	1.3
191.05531	100.0
192.05954	3.4
193.04970	5.7
195.06628	1.2
203.03441	0.8
205.03358	1.2
205.05072	1.3
212.90819	0.8
223.04431	2.0
223.06252	1.6
226.06296	2.3
227.07021	0.9
229.01418	1.3
241.08604	1.8
250.06374	1.2
251.07086	8.8
252.07927	3.6
253.08696	3.8
254.09297	1.7
265.08850	1.0
267.07086	1.2
277.04715	1.1
279.06604	2.3
280.07318	7.6
295.06372	1.1
295.09680	6.7
303.54706	0.8
313.10980	2.3
324.06235	1.4
337.09222	0.9
339.05112	3.2
339.08704	1.5
357.09756	80.4
358.10208	7.2
367.09644	0.8
531.14777	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	531.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.4
59.01249	2.4
60.50568	0.2
65.00212	0.2
69.03319	0.4
69.34883	1.3
69.35293	0.5
71.01241	1.5
72.99180	0.3
73.02810	1.0
75.00732	0.7
81.03334	0.3
83.01249	0.3
85.02813	1.5
87.00747	0.6
89.02319	0.6
91.01776	0.3
93.03323	1.6
95.01292	0.2
95.64658	0.2
98.20547	0.4
99.00743	0.4
99.61608	0.2
101.02333	0.5
111.00739	0.2
113.02341	1.6
115.00244	0.3
117.03350	2.7
118.04140	0.2
119.04911	100.0
120.05243	3.3
121.02843	2.2
123.04432	0.6
125.02310	0.4
133.02760	0.3
134.03603	0.4
135.04364	0.3
145.02846	4.6
145.57260	0.2
147.00752	0.8
147.04507	0.3
148.01540	0.4
149.02362	3.3
150.03137	1.0
151.03830	0.2
152.01166	0.4
161.02332	0.5
162.03085	0.6
163.03912	49.0
164.04596	3.1
165.01819	0.2
165.05481	0.4
169.04942	0.4
175.00293	4.1
175.01855	0.3
175.02440	0.3
176.01054	6.2
177.05481	19.6
178.02512	0.2
178.05833	1.2
179.07114	0.5
179.10596	0.6
187.11243	0.3
190.02631	11.4
191.03419	10.9
191.05231	0.2
192.03859	0.4
193.01366	0.5
194.02176	0.5
203.62434	0.2
205.04994	11.2
206.05330	0.8
207.02934	0.5
208.03711	1.2
209.04480	1.9
218.02014	0.4
223.06096	4.6
223.09644	1.8
230.33382	0.2
232.03796	0.3
233.04492	0.5
247.06032	0.3
249.06139	1.5
259.57175	0.2
267.07193	2.5
281.13882	0.3
307.08243	0.7
319.51822	0.2
337.05643	0.6
338.06445	1.3
352.07925	0.8
353.08740	14.2
354.09183	1.0
356.47299	0.2
367.10324	7.9
368.10825	0.6
531.14032	2.8
531.22345	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	531.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24913	1.6
55.01740	2.1
57.03336	2.9
57.36828	1.4
58.58603	1.3
58.90455	1.3
59.01259	13.8
65.34775	1.5
65.38825	1.5
69.03322	14.4
71.01241	8.5
71.58624	3.1
72.99185	2.3
73.02818	3.1
83.01251	2.7
83.04919	1.7
85.02824	12.2
87.00759	2.0
89.02277	1.9
91.01757	5.9
93.03340	12.3
94.04812	1.5
95.01262	2.0
96.29141	1.3
96.95857	2.9
97.02831	4.9
99.00761	7.0
101.02346	4.5
107.04948	1.5
109.02883	1.9
111.00758	4.0
111.04391	1.8
113.02312	4.0
119.01268	2.7
119.04847	1.5
121.02834	6.4
125.02319	2.2
125.25274	1.5
129.01834	4.2
135.04456	2.3
137.02338	8.4
149.02365	1.5
151.03912	100.0
152.04279	3.4
161.02315	2.0
161.04518	1.4
163.03903	2.2
167.03273	1.5
173.04471	5.4
185.00798	8.6
191.05534	9.8
205.01471	1.8
205.03458	4.6
223.04482	10.3
227.07079	2.6
289.07205	1.5
357.09872	2.0
445.13519	6.7
455.11987	4.2
487.14474	12.8
488.14697	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	531.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.3
57.03315	1.1
59.01245	7.7
61.98719	0.3
64.08041	0.3
66.78079	0.2
67.01736	0.3
69.03329	0.6
71.01248	5.7
71.57673	0.3
71.58092	0.4
72.99196	0.7
73.02817	2.1
75.00761	0.7
81.03320	0.7
83.01254	0.8
85.02812	3.3
87.00743	1.6
88.92735	0.3
89.02316	2.8
91.05383	0.3
93.03331	3.1
94.03683	0.3
95.01259	0.7
96.95889	0.5
99.00755	3.7
99.04394	0.5
101.02329	2.4
104.89434	0.3
109.02825	1.0
111.00770	0.7
113.02328	2.4
115.00238	1.3
117.03339	2.7
117.05515	0.3
117.37581	0.3
118.03999	0.3
119.01264	0.8
119.04908	100.0
120.05240	2.7
121.02834	2.8
123.04403	1.0
125.02328	1.2
129.01843	0.5
131.03397	0.7
133.02821	1.2
134.03638	4.6
135.04399	1.1
137.02354	2.6
137.09515	0.4
138.02657	0.4
145.02832	6.8
147.00763	0.5
148.01492	0.5
149.02335	3.8
149.04414	1.9
149.05934	0.7
150.03094	1.3
151.00233	0.6
151.07529	0.7
152.00977	0.5
152.07895	0.3
153.01823	1.0
160.01535	0.9
161.02330	1.4
161.04430	1.4
161.05803	0.3
162.03113	0.9
163.03906	56.3
164.04527	3.6
165.05446	0.7
173.04439	0.8
175.00276	4.1
175.02361	2.0
175.03918	1.7
176.01056	6.5
177.05473	20.2
178.02643	2.3
178.05806	0.8
179.03455	0.3
179.05450	0.5
179.07063	0.4
179.10684	2.9
183.13805	1.6
187.03929	1.1
190.02628	11.4
191.03386	11.5
191.05466	2.0
192.04041	0.7
193.01274	1.0
193.04979	5.7
194.05403	0.3
205.04985	11.9
206.05336	0.7
207.02997	0.3
208.03720	1.0
209.04492	1.8
223.06163	5.5
223.09671	11.2
227.12839	0.4
233.04539	1.0
233.06572	0.5
247.05972	0.5
249.05922	0.4
284.03241	1.7
285.03922	1.7
307.08194	1.0
323.07617	1.0
327.19809	0.3
337.09113	0.8
338.06339	1.5
352.07977	0.8
353.08737	17.3
354.09045	1.3
355.10352	0.5
367.05692	0.5
367.10300	9.3
368.10602	0.7
486.35336	0.5
531.15430	3.1
531.22162	0.6
531.28094	4.7
532.14612	0.5
540.51416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01736	1.8
57.03325	4.5
58.54101	1.0
59.01244	17.4
64.09284	1.2
69.03324	1.1
70.86935	1.5
70.87263	2.1
71.01250	23.3
72.99178	7.5
73.02813	1.4
75.00742	23.4
78.95774	1.4
83.01242	1.8
85.02811	29.9
87.00751	9.3
89.02311	6.9
91.03893	1.3
95.01270	5.9
99.00755	12.5
103.00236	3.8
113.02325	42.6
114.02726	1.2
115.00233	2.4
117.01826	3.1
129.01822	2.2
131.03362	1.4
149.04460	1.0
157.01305	1.4
175.02415	5.0
203.26634	1.3
205.07121	2.4
214.44868	1.1
231.05051	2.7
249.06088	8.4
267.07175	8.7
277.21729	2.3
279.23260	93.8
280.20847	1.5
280.23511	7.6
511.28992	2.5
529.30145	100.0
530.30505	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	529.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.3
55.79993	0.2
57.03319	0.4
58.00465	0.4
59.00944	0.4
59.01249	8.2
60.99151	0.2
61.98677	0.2
69.03333	0.2
69.88956	1.0
69.96821	0.2
70.44141	0.1
71.01254	6.5
72.99191	0.5
73.02810	1.0
75.29746	0.1
78.95780	0.5
82.81199	0.2
83.01241	0.6
83.04884	0.2
85.02834	1.7
85.63843	0.2
87.00755	1.2
89.02319	6.1
91.03869	0.3
93.03316	0.9
95.01278	0.6
95.04887	0.3
97.02757	0.2
97.06471	0.4
99.00764	0.3
101.02323	7.3
111.08043	0.4
113.02335	3.2
113.09598	0.2
119.03381	1.6
125.09610	0.2
131.03362	0.3
135.04402	0.3
139.96991	0.2
141.09164	0.2
143.03392	0.8
149.00008	0.3
151.11188	0.2
151.75784	0.2
161.04468	3.0
167.10675	0.2
169.12222	0.5
173.04466	0.7
177.12718	0.4
179.05534	1.4
179.10617	0.2
179.14349	0.8
181.12273	0.2
187.96812	0.2
191.05542	0.7
193.27661	0.2
195.13847	9.7
196.14359	0.7
199.13208	0.2
205.12233	0.8
205.15813	0.4
209.11777	0.5
211.13390	0.9
215.81696	0.2
216.24998	0.2
223.13350	6.3
224.13803	0.5
225.14963	0.2
228.13577	0.7
231.21138	0.5
235.08195	0.3
253.09270	29.5
254.09627	1.4
256.13144	1.5
265.21674	0.7
275.20163	6.2
275.23206	0.3
276.20520	0.4
291.19669	0.5
292.19971	0.5
293.21222	100.0
294.21548	9.9
301.80939	0.2
329.71860	0.2
330.56967	0.2
332.71240	0.2
359.88156	0.2
447.13376	2.0
492.21909	0.6
518.26886	0.2
529.21631	0.2
529.29602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.4
58.00459	0.4
59.01247	9.1
61.87136	0.3
65.01759	0.3
70.45216	0.6
70.45607	0.7
71.01248	6.0
72.30599	0.3
73.02814	1.3
83.01238	0.8
85.02807	1.5
87.00754	1.0
89.02311	5.8
95.01228	0.6
99.00758	0.4
101.02317	5.7
110.05856	0.3
111.07993	0.4
113.02329	3.8
118.14967	0.4
119.03352	1.6
141.09001	0.3
143.03346	0.5
161.04433	3.2
167.10677	0.4
177.12712	0.4
179.05487	1.5
179.14265	0.9
195.13823	10.1
196.14474	1.0
205.12289	0.9
205.15862	0.5
211.13419	0.6
223.13332	5.1
224.13824	0.4
228.13591	0.6
231.21028	0.5
253.09253	29.5
254.09627	1.4
256.13141	1.0
275.17398	0.5
275.20163	6.1
276.20526	0.6
293.21210	100.0
294.21558	7.4
336.42059	0.4
492.22086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.4
55.23748	0.1
57.03318	0.7
58.00458	0.3
59.01246	9.0
67.01766	0.2
69.03326	0.4
69.31036	1.3
71.01248	6.7
72.99170	0.5
73.02808	1.2
83.01235	0.7
83.04887	0.2
85.02826	1.9
87.00753	1.2
89.02312	6.5
91.03912	0.2
93.03323	0.6
95.01259	0.4
95.04883	0.3
97.02810	0.2
97.06458	0.2
99.00746	0.4
99.04349	0.1
101.02317	7.5
111.04395	0.2
111.08047	0.5
113.02324	3.6
113.09586	0.4
119.03385	2.0
125.02360	0.3
129.01822	0.2
131.03377	0.4
131.99510	0.1
134.03607	0.4
135.04427	0.3
141.09111	0.2
143.03384	0.6
149.04433	0.2
161.04448	3.5
167.10628	0.5
169.12274	0.2
173.04475	0.4
177.01846	0.3
177.12759	0.5
178.02560	0.3
179.05524	1.2
179.10648	0.2
179.14310	0.7
181.12248	0.2
183.10173	0.5
183.13666	0.1
195.13832	10.2
196.14282	0.8
205.12335	0.7
205.15918	0.3
211.13383	0.6
223.13338	6.5
224.13763	0.5
228.13560	1.0
231.21106	0.5
235.08205	0.3
239.12871	0.2
249.22150	0.2
253.09254	30.5
254.09622	1.5
256.13150	1.1
257.13388	0.2
261.66928	0.2
265.21707	0.5
273.59006	0.1
275.20132	6.0
276.20544	0.5
293.21207	100.0
294.21536	9.8
294.25125	0.1
355.15536	0.4
483.96426	0.2
492.22083	0.6
529.20660	0.2
529.30042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.5
57.03312	0.8
58.00462	0.4
58.45098	0.2
59.01248	11.4
71.01251	8.5
71.01656	0.4
71.04887	3.3
72.99168	0.3
73.02808	1.2
76.50063	0.2
79.35159	0.2
83.01261	0.8
83.04884	0.5
85.02840	1.6
85.06469	0.4
87.00745	1.0
87.04387	0.3
89.02314	6.7
90.02628	0.2
90.92550	0.2
93.03317	0.3
95.01267	0.4
95.04868	0.3
97.02830	0.2
97.06477	0.3
99.00752	0.4
101.02320	7.2
109.06495	0.2
113.02322	3.3
119.03391	1.8
125.02296	0.4
127.07492	0.3
131.03394	0.5
143.03394	0.9
161.04448	3.2
177.16388	0.5
179.05504	1.3
191.17915	0.3
209.15474	1.2
211.13335	0.4
217.15860	0.5
219.17564	0.4
221.15425	0.8
223.17010	2.3
231.21130	1.6
233.15491	0.5
235.08191	1.1
235.16992	24.4
236.17271	1.8
237.18481	0.6
249.22229	0.4
253.09256	30.3
254.09529	1.8
275.20145	27.2
276.20474	2.1
291.19708	0.3
293.21213	100.0
294.21558	9.1
295.37753	0.3
298.80389	0.2
320.88232	0.3
375.06888	0.3
384.69983	0.2
442.16934	0.2
529.30200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23178	1.1
55.01768	1.3
57.03323	100.0
58.00455	1.4
59.01249	76.4
65.93913	0.8
67.01755	2.1
69.03318	2.9
69.54472	4.7
69.54879	2.2
71.01252	33.5
72.99175	2.6
73.02815	22.8
80.96380	1.5
81.03323	4.8
82.95975	1.2
83.01246	9.1
83.04886	3.5
85.02824	11.6
87.00746	6.8
89.02311	14.4
93.03328	17.4
94.03694	0.8
95.01270	2.5
95.64041	0.9
96.95885	3.6
97.02815	1.4
97.06479	1.6
99.00763	1.7
99.04393	88.3
100.04698	1.6
101.02319	43.5
107.04809	0.9
109.02833	2.0
111.00743	1.6
111.04394	12.4
113.02335	13.2
113.05942	1.6
117.03347	5.7
119.03389	10.1
120.48287	0.9
121.02818	1.6
123.00783	1.1
123.04388	6.6
125.02335	47.2
127.03963	2.0
129.01746	1.2
131.03386	2.3
133.02861	9.2
134.03627	52.2
135.04419	54.3
136.04753	2.0
137.02336	10.5
137.09583	1.0
141.05463	1.6
143.03406	6.3
149.02330	1.1
149.04485	3.1
149.05972	5.5
150.03134	0.9
151.07529	1.3
152.01064	1.3
153.01839	1.2
155.03406	21.2
156.03793	1.3
159.02930	0.9
160.01534	6.2
161.02353	28.2
161.04407	11.0
161.09619	2.9
162.02666	1.5
167.03369	1.7
173.04463	59.8
174.04808	2.5
175.02583	1.4
175.03902	6.9
175.07542	2.4
176.08284	2.2
179.03421	45.4
179.05467	5.6
180.03851	1.7
187.07722	0.9
187.11201	13.4
189.09172	1.7
190.09898	2.9
191.05557	19.8
193.04987	53.0
194.05322	2.9
203.03380	1.3
203.10716	2.1
204.11427	3.2
205.12291	18.6
215.10736	1.7
221.06419	1.0
223.13441	0.9
233.11757	8.0
244.91689	1.2
259.13446	6.2
277.14407	6.0
285.03955	1.2
334.07318	1.0
335.07669	19.9
336.08151	2.0
349.09283	12.9
349.16553	2.5
350.09317	1.3
353.08734	29.0
354.09085	2.2
367.10388	15.4
367.17416	5.6
367.21475	1.1
368.10739	1.9
385.18701	5.4
409.19330	0.9
427.19702	5.0
467.22763	1.7
485.23557	1.2
529.13409	16.0
529.22723	11.3
530.13849	2.5
530.23053	1.2
533.88739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23178	1.1
55.01768	1.3
57.03323	100.0
58.00455	1.4
59.01249	76.4
65.93913	0.8
67.01755	2.1
69.03318	2.9
69.54472	4.7
69.54879	2.2
71.01252	33.5
72.99175	2.6
73.02815	22.8
80.96380	1.5
81.03323	4.8
82.95975	1.2
83.01246	9.1
83.04886	3.5
85.02824	11.6
87.00746	6.8
89.02311	14.4
93.03328	17.4
94.03694	0.8
95.01270	2.5
95.64041	0.9
96.95885	3.6
97.02815	1.4
97.06479	1.6
99.00763	1.7
99.04393	88.3
100.04698	1.6
101.02319	43.5
107.04809	0.9
109.02833	2.0
111.00743	1.6
111.04394	12.4
113.02335	13.2
113.05942	1.6
117.03347	5.7
119.03389	10.1
120.48287	0.9
121.02818	1.6
123.00783	1.1
123.04388	6.6
125.02335	47.2
127.03963	2.0
129.01746	1.2
131.03386	2.3
133.02861	9.2
134.03627	52.2
135.04419	54.3
136.04753	2.0
137.02336	10.5
137.09583	1.0
141.05463	1.6
143.03406	6.3
149.02330	1.1
149.04485	3.1
149.05972	5.5
150.03134	0.9
151.07529	1.3
152.01064	1.3
153.01839	1.2
155.03406	21.2
156.03793	1.3
159.02930	0.9
160.01534	6.2
161.02353	28.2
161.04407	11.0
161.09619	2.9
162.02666	1.5
167.03369	1.7
173.04463	59.8
174.04808	2.5
175.02583	1.4
175.03902	6.9
175.07542	2.4
176.08284	2.2
179.03421	45.4
179.05467	5.6
180.03851	1.7
187.07722	0.9
187.11201	13.4
189.09172	1.7
190.09898	2.9
191.05557	19.8
193.04987	53.0
194.05322	2.9
203.03380	1.3
203.10716	2.1
204.11427	3.2
205.12291	18.6
215.10736	1.7
221.06419	1.0
223.13441	0.9
233.11757	8.0
244.91689	1.2
259.13446	6.2
277.14407	6.0
285.03955	1.2
334.07318	1.0
335.07669	19.9
336.08151	2.0
349.09283	12.9
349.16553	2.5
350.09317	1.3
353.08734	29.0
354.09085	2.2
367.10388	15.4
367.17416	5.6
367.21475	1.1
368.10739	1.9
385.18701	5.4
409.19330	0.9
427.19702	5.0
467.22763	1.7
485.23557	1.2
529.13409	16.0
529.22723	11.3
530.13849	2.5
530.23053	1.2
533.88739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	5.7
59.01252	61.8
69.54042	37.0
71.01250	28.6
73.02797	9.3
79.05328	4.6
83.01282	5.9
85.02804	24.4
87.00723	6.1
89.02322	26.6
93.03310	18.0
96.95873	14.6
96.98158	5.1
98.20513	10.3
99.00709	6.0
101.02316	16.7
109.02843	5.6
111.04446	4.8
113.02357	6.3
119.03377	8.6
129.01836	5.8
133.02808	19.6
135.04378	8.3
137.02325	42.5
138.01842	13.1
149.02397	6.5
150.58681	4.4
152.00897	5.2
161.02324	9.1
173.04448	19.3
177.01828	16.5
179.03485	5.5
185.00859	4.8
190.02620	4.8
191.05521	29.8
197.58815	4.8
205.05087	8.3
245.09305	9.1
246.09628	7.6
282.47894	5.0
285.11200	5.8
298.09360	6.4
355.08292	6.4
453.18268	14.1
485.20352	100.0
486.20428	11.3
497.17767	8.5
529.14984	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	529.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.8
58.00462	1.2
59.01249	30.8
61.98703	1.1
69.03322	1.8
69.30009	2.3
69.30442	2.4
71.01252	20.7
72.99190	2.3
73.02804	2.1
75.00731	1.3
83.01237	2.2
83.04888	0.5
85.02823	6.6
87.00745	1.9
89.02313	19.6
93.03308	2.3
95.01259	1.9
96.95907	1.2
97.02856	0.8
97.06457	1.0
99.00768	1.5
99.04374	1.2
99.08025	0.7
101.02316	13.2
107.04924	0.6
108.02052	0.9
108.29729	0.4
109.02836	6.2
109.06463	1.4
111.04413	1.3
111.08108	0.5
113.02318	11.7
113.05993	0.8
115.00213	0.8
116.04955	0.8
117.03368	1.1
119.03391	7.9
119.04891	1.5
121.02831	2.9
123.04391	0.8
123.08011	1.1
125.02338	1.5
125.09602	1.0
127.04002	0.6
127.07533	1.7
129.01822	0.8
131.03377	0.5
132.01997	0.6
133.02829	0.8
134.03606	1.5
135.00783	0.5
135.04422	3.4
136.05203	2.7
137.02370	3.3
141.05475	0.6
143.03400	1.4
145.02809	1.0
147.04404	1.4
149.02336	14.3
149.04257	0.7
150.02948	0.6
150.06772	0.6
151.07547	14.2
152.00989	1.1
153.01842	4.9
160.03929	0.6
161.02325	1.5
161.04459	1.6
161.05954	0.6
161.08063	1.4
163.03943	4.3
164.04697	11.5
165.05461	4.8
165.12778	0.8
166.02509	0.6
168.00491	0.5
169.08633	1.0
170.43912	0.5
173.02322	1.4
173.04469	2.1
173.05826	0.4
175.00232	1.6
175.03947	0.7
177.01805	1.5
177.05472	1.6
178.06255	1.0
179.03384	3.8
179.05496	1.3
179.07028	1.6
185.00809	0.5
188.04683	0.9
190.02617	4.5
191.03416	4.5
191.05513	3.3
192.04109	1.0
193.01476	0.5
193.04999	1.5
194.05733	0.6
204.04219	1.5
205.04950	4.7
206.05772	5.9
207.02901	3.6
207.06247	0.7
208.03658	1.2
217.01498	0.7
221.08115	4.9
222.05287	1.3
222.08545	0.9
223.06061	11.2
224.06427	0.7
232.03699	1.0
235.02296	0.6
237.07631	2.9
247.06128	1.8
250.04721	1.2
265.07153	9.9
285.03891	0.9
295.08170	0.9
299.05316	0.6
305.12466	1.8
323.13443	100.0
324.13760	6.7
353.09341	0.6
410.15988	1.1
441.35696	1.4
467.33719	7.1
485.34930	7.7
529.18335	4.4
529.30084	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	529.135
Annotation	CHEBI:88343
Peak:m/z	Relative Intensity
57.03332	0.9
59.01251	1.5
60.34979	0.7
60.35291	0.7
67.01751	3.9
67.28620	0.7
69.03313	1.5
71.01250	2.3
71.38143	0.9
73.02838	0.7
80.44541	0.7
81.03330	2.1
83.04909	4.1
85.02819	2.9
87.00726	1.5
89.03838	2.1
93.03330	20.3
107.04912	1.6
108.02122	0.9
109.02837	1.5
111.00753	1.8
111.04394	21.5
117.03341	10.7
121.02843	1.3
127.03899	2.5
132.02074	2.0
133.02856	16.3
134.03630	94.8
135.04420	79.5
135.05264	0.9
135.28488	0.8
136.04726	3.3
137.02341	13.4
139.03865	0.8
148.96620	0.7
149.05994	8.7
153.01802	0.8
155.03400	37.2
156.03731	1.4
160.01566	11.4
161.02347	41.6
162.02682	1.8
173.04465	82.2
174.04819	2.1
175.03925	12.0
178.02661	1.4
179.03416	69.2
180.03766	2.8
191.05530	14.2
193.04982	100.0
194.05299	5.5
203.03401	2.4
211.07541	1.3
281.38351	0.8
335.07718	32.1
336.07983	2.4
349.09222	19.9
350.09708	1.7
353.08740	30.1
354.09183	2.1
367.10327	29.1
367.13898	0.5
368.10602	2.4
529.13458	20.9
530.13898	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.2
55.01761	0.3
57.03321	0.9
58.00495	0.3
59.01253	8.1
60.56600	0.2
69.03316	0.6
69.41741	1.9
71.01256	5.2
71.04910	0.2
72.99159	0.3
73.02818	1.2
83.01288	0.5
83.04893	0.8
85.02822	1.3
87.00751	0.9
89.02316	4.0
91.03883	0.4
93.03299	0.3
95.01239	0.4
95.04899	0.3
95.29616	0.2
95.32732	0.2
97.02852	0.3
97.06502	0.4
98.20669	0.2
99.00782	0.4
101.02328	5.6
102.02647	0.2
107.08537	0.3
109.06477	0.4
111.04385	0.2
111.08047	3.9
113.02328	2.1
113.09609	0.2
113.11371	0.2
113.39255	0.2
119.03402	1.1
121.10103	1.8
123.08067	0.3
125.02359	0.2
125.09623	2.5
127.11191	1.1
135.11670	0.2
137.09644	0.3
139.11140	0.3
143.03403	0.5
149.09688	0.3
151.11105	0.4
153.09103	0.3
153.12781	0.8
161.04471	2.0
165.12726	0.3
167.10712	0.8
171.10213	0.3
173.13280	0.3
176.81003	0.2
177.12820	0.7
179.05510	0.7
179.10654	0.8
179.14365	0.3
183.13831	0.5
185.11800	2.0
193.15906	0.4
195.13857	2.9
197.11761	0.7
201.11276	0.2
203.14362	0.6
209.11740	0.7
211.13319	0.7
223.13208	0.3
227.12915	0.2
229.19591	0.8
235.08124	0.3
245.18953	0.4
247.20639	2.9
248.21002	0.3
253.09274	17.4
254.09645	0.9
261.18274	0.3
263.20169	5.8
264.20493	0.7
273.18643	5.2
274.19034	0.3
291.19669	100.0
292.19998	8.8
293.21268	0.2
430.70322	0.2
527.28662	5.4
528.28912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	4.9
59.01245	9.4
61.98710	0.9
69.03316	2.3
71.01257	4.4
71.04880	1.4
72.99213	0.9
73.02827	2.5
75.00758	0.9
76.21922	0.6
81.03351	1.0
83.01247	1.6
83.04890	2.7
84.77325	0.6
85.02822	4.4
85.06464	1.5
87.00744	1.7
89.02316	2.2
93.03352	2.0
95.01309	0.8
95.04917	0.8
96.95902	0.7
97.02826	0.8
97.06473	5.8
97.14549	0.7
98.31548	0.7
99.00739	0.9
99.04396	1.9
99.08041	1.1
101.02313	2.1
108.02052	18.2
109.02347	4.0
109.02873	3.8
109.06464	7.0
110.02490	1.7
110.03195	1.5
111.00764	0.8
111.04390	4.2
111.08045	1.3
113.02319	2.6
113.05956	3.1
113.09594	2.4
121.02834	1.6
121.06448	1.0
122.03637	1.0
123.04398	1.0
123.08043	6.5
125.02308	1.8
125.09581	6.6
127.07529	9.0
127.11166	2.2
133.06471	1.6
135.04391	1.6
136.05196	20.1
137.02312	1.1
137.09613	1.6
139.07533	1.3
140.04698	1.4
141.05434	3.7
141.09128	2.0
149.02376	5.1
150.03168	1.0
150.06758	3.0
151.00357	1.0
151.07544	100.0
152.01050	27.5
152.07895	4.8
153.01414	11.3
154.01427	6.8
155.02229	1.0
155.10643	1.8
157.12244	1.2
159.10129	4.6
163.03906	1.1
164.04683	3.3
165.12798	2.1
166.13075	0.9
169.08601	9.5
173.04504	1.1
175.00198	1.1
179.03397	0.8
183.13811	4.5
184.14217	1.1
185.14339	1.1
190.02628	1.8
191.05562	1.9
201.14909	0.6
205.05013	3.3
205.27484	0.7
209.11751	1.2
223.06097	3.8
227.12830	1.1
281.21259	3.0
285.04172	0.8
299.06601	1.0
313.23837	1.9
315.07211	1.9
316.07483	2.9
317.07730	3.7
318.11877	1.1
321.15524	13.5
322.15738	1.1
327.21674	1.1
369.26349	1.1
370.26132	0.7
439.34161	10.1
440.34595	2.1
447.31070	1.6
465.32162	51.5
466.32520	7.4
483.33264	55.1
484.33603	8.0
509.19415	2.0
527.20282	50.3
528.20355	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	4.5
59.01248	15.4
61.98690	2.3
69.03306	3.2
71.01244	16.0
71.04886	6.0
73.02795	2.5
78.94003	2.4
81.03320	3.1
82.10519	2.0
83.04900	6.6
83.80112	2.3
85.02816	3.5
87.00700	2.6
97.02804	7.2
97.06415	5.2
99.00745	33.8
105.44446	2.2
107.90303	2.9
111.04503	2.3
123.08002	3.2
125.02311	3.8
125.09595	14.9
151.07549	2.4
163.11183	18.7
164.00960	2.7
165.12782	14.2
171.10159	13.5
181.12265	32.8
183.13829	80.9
184.14146	4.8
199.13322	17.5
201.11299	8.9
207.10202	41.4
209.11763	33.9
211.13426	2.9
225.11267	81.8
226.11530	4.8
227.12813	24.4
243.12340	36.6
251.12784	6.6
253.09200	3.1
269.85281	2.6
278.22971	2.7
285.04056	2.4
291.19601	25.8
299.14877	7.2
301.16534	8.9
317.16086	24.4
355.21259	3.6
483.28961	2.9
509.27368	8.8
527.28577	100.0
528.28333	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	527.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04163	0.2
55.01744	0.4
57.03315	0.9
59.01250	6.5
59.09763	0.2
67.01757	0.3
69.03363	0.2
70.65441	0.8
71.01257	3.9
73.02814	0.8
83.04903	0.6
85.02819	0.7
87.00742	0.3
89.02322	3.3
95.01278	0.4
95.04890	0.8
101.02327	4.2
109.06487	0.4
111.07274	0.5
111.08044	7.8
113.02331	1.9
113.09612	0.5
119.03381	0.6
123.08073	0.3
135.11690	0.4
137.09584	0.6
143.03413	0.3
149.09669	0.3
161.04491	1.6
167.10704	2.0
169.12260	0.2
177.12810	1.9
177.19217	0.2
179.05482	0.3
179.10684	1.9
195.13840	5.8
196.14172	0.3
201.53860	0.2
203.14400	0.6
209.11772	0.3
235.08202	0.6
247.20638	2.3
253.09262	15.9
254.09633	0.7
273.18613	1.5
274.30777	0.3
291.19659	100.0
292.19989	9.6
307.14722	0.3
347.05881	0.2
373.79514	0.2
527.28540	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47380	1.2
50.97528	1.1
53.89996	0.9
57.03317	2.6
59.01255	15.4
60.38890	0.9
66.02447	0.9
68.99666	1.8
69.33199	9.5
71.01254	16.8
72.99194	6.6
75.00748	21.2
85.02824	20.9
87.00739	7.8
89.02305	4.5
93.03291	1.5
95.01287	5.5
99.00753	11.4
103.00261	3.4
111.00746	1.1
113.02328	29.5
115.00239	1.8
117.01823	2.7
129.01807	2.3
130.03149	1.1
145.39917	1.1
157.01433	1.2
175.02408	3.1
178.84355	1.1
231.05229	1.5
249.06146	24.2
267.07214	2.3
277.21729	96.4
278.22098	11.3
291.19623	4.1
367.84366	1.2
445.23642	4.1
509.27835	2.6
527.28619	100.0
528.29004	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	527.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03328	3.0
58.00476	0.9
59.01254	18.6
60.96122	0.5
67.01768	0.8
68.99680	1.0
69.03327	1.0
70.75856	0.6
71.01255	23.8
72.01572	0.5
72.99178	6.8
73.02818	2.7
73.10693	0.5
73.57717	0.4
75.00748	22.3
80.27326	0.4
83.01255	1.2
85.02824	29.5
86.03189	0.6
87.00756	9.2
89.02308	6.5
95.01271	7.0
97.02848	0.5
99.00759	11.8
99.04411	0.6
101.02335	1.0
103.00251	3.8
111.00751	0.8
112.01540	0.5
113.02333	38.0
114.02698	0.8
115.00249	2.2
117.01810	3.3
127.03998	0.5
129.01869	2.3
131.03375	0.9
134.85570	0.4
139.00284	0.9
157.01357	1.0
175.02402	5.0
193.03452	0.8
205.07091	3.2
223.08253	1.1
231.05090	1.4
249.06119	8.2
267.07214	9.1
268.07507	0.6
277.21725	66.0
278.22073	5.8
291.19608	0.8
314.59201	0.5
317.76566	0.5
339.30545	0.4
467.26819	1.2
509.27686	2.3
527.28619	100.0
528.28967	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	527.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00037	0.4
52.55159	0.3
55.70109	0.3
57.03314	0.4
57.84565	0.3
59.01253	3.2
61.98704	0.5
63.31377	0.3
63.96117	0.9
65.49382	0.4
69.03325	1.2
69.53638	2.7
70.59461	0.4
71.01251	8.4
72.99182	0.6
73.02825	1.5
78.98454	6.0
79.42857	0.3
79.95605	8.4
79.96085	0.4
80.96387	63.5
81.03328	0.8
83.01263	0.6
85.02825	3.4
87.00745	2.6
89.02315	0.4
93.03333	0.6
94.97958	14.7
95.01240	0.7
96.95847	1.6
97.02809	1.6
98.19873	0.8
99.00764	1.2
101.02330	3.0
106.97964	3.3
108.02046	0.8
109.02828	0.8
111.00788	0.6
113.02303	1.1
118.37344	0.4
119.04977	0.8
119.61254	0.3
122.97462	3.4
125.02319	3.6
127.03919	1.0
133.02852	0.7
134.03618	0.6
134.97456	4.7
135.04430	0.6
136.99048	1.5
137.02301	0.8
148.99039	6.6
152.00989	0.8
152.98534	5.4
153.01813	0.7
160.01494	0.3
163.03920	1.4
164.04317	1.0
164.98538	13.4
165.04410	0.5
165.12770	1.1
173.04446	0.7
175.03900	0.5
177.01935	0.5
178.02548	0.4
183.13814	5.4
185.00775	0.5
191.05484	0.6
193.04915	0.8
194.05426	0.4
205.05000	0.4
206.99657	3.0
225.00687	19.1
226.00972	0.6
227.12868	0.6
299.04480	2.7
317.05511	1.5
325.88712	0.4
362.65811	0.4
483.19159	1.0
509.16299	0.4
527.17975	100.0
528.18311	10.8
542.67517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.6
63.96103	0.9
67.47133	0.3
69.03321	0.7
71.01249	6.5
73.02820	2.0
76.84014	0.3
77.81955	0.3
78.98458	5.3
79.95605	7.5
80.96387	55.6
81.03336	1.0
83.01261	0.9
85.02820	2.4
87.00746	2.3
87.04376	0.3
88.43452	0.3
88.98682	0.4
93.03333	0.7
94.97957	13.0
96.95863	1.5
97.02836	1.7
98.20600	0.5
99.00765	0.8
99.04394	0.5
101.02307	3.2
104.29070	0.3
106.97948	2.4
108.02041	0.4
109.02831	0.7
111.00766	0.4
113.02328	0.8
113.19966	0.3
121.02757	0.4
122.97462	5.1
125.02326	3.6
127.03879	0.9
133.02821	0.7
134.03583	0.4
134.97481	4.7
135.04449	0.4
136.99042	1.1
137.02336	0.4
141.62897	0.3
146.97452	0.3
148.99043	4.5
152.01056	0.4
152.20192	0.3
152.98534	6.9
153.01784	0.5
164.98538	10.5
165.12784	0.9
167.00131	0.4
167.03459	0.4
173.04488	0.5
175.00269	0.3
175.03946	0.4
182.99603	1.8
183.13828	5.5
188.98572	0.5
190.02693	0.6
193.04956	0.7
205.04980	1.3
206.99643	4.0
223.06071	0.5
225.00687	19.8
226.01080	0.7
227.12683	0.5
243.01691	2.0
273.07672	0.7
290.82797	0.3
299.04340	2.4
317.05554	0.4
324.05045	0.7
483.19202	0.6
509.17120	0.6
527.17999	100.0
528.18396	10.3
537.33929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61414	0.6
59.01254	0.7
60.17287	0.6
71.56438	1.1
78.95772	32.4
87.00754	1.7
100.03905	2.3
103.51437	0.5
110.98409	57.2
142.04985	2.8
152.99501	4.8
185.02118	100.0
185.09233	23.3
186.02472	2.1
186.07611	1.0
191.05612	1.3
304.59143	0.8
321.10129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.8
59.01248	15.6
68.40162	1.2
68.73827	1.3
69.03335	1.9
71.01248	9.6
72.99165	1.3
73.02822	3.3
75.00739	2.9
83.01246	2.6
85.02806	9.6
87.00751	2.0
89.02323	3.3
93.03313	2.7
95.01239	2.1
97.02846	2.2
97.06432	1.5
99.00745	2.4
101.02301	3.8
102.02732	1.2
106.58749	1.4
108.02072	4.5
109.02844	7.5
112.65092	1.3
113.02316	5.9
119.04908	2.4
123.04427	2.6
124.01546	1.4
125.02338	1.8
133.02888	1.8
135.04411	3.1
137.02345	4.4
139.03880	1.9
150.03101	2.0
151.00270	1.6
151.03897	3.2
151.07466	2.0
152.01054	3.7
153.01834	2.9
160.01573	3.2
161.02402	1.7
163.03928	3.5
165.01872	2.8
171.10168	4.8
173.04466	2.3
175.03854	3.2
177.01799	1.5
179.42981	1.4
183.13838	1.5
190.02693	1.7
191.05551	4.4
193.05132	1.5
205.04944	1.7
211.13338	11.7
229.14398	4.2
249.06206	1.7
285.04135	3.1
297.06143	2.3
323.75531	1.6
327.21732	100.0
328.21988	8.0
361.28815	1.5
524.10492	1.4
524.35193	5.1
525.25494	7.5
525.35449	4.5
526.20648	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	525.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87393	0.2
55.01756	0.3
57.03305	0.3
59.01249	3.8
61.98695	0.6
63.28226	0.2
65.03838	3.3
67.01765	1.7
68.99667	0.7
69.03344	0.5
71.01257	1.8
71.01591	0.3
71.58189	0.4
71.58540	0.3
73.02805	0.6
80.40029	0.2
83.01267	0.3
83.04890	0.5
85.02806	0.7
85.23792	0.2
87.00755	0.3
89.02317	0.4
91.01766	0.9
93.30596	0.3
95.01246	0.3
95.04922	0.3
97.06471	0.5
99.00758	0.6
101.02327	0.9
108.02065	0.4
109.02831	34.2
110.03184	1.0
111.08027	0.5
113.02322	0.9
121.02940	0.4
121.21781	0.3
123.04414	0.3
125.02350	0.4
125.09675	0.5
135.00771	9.8
136.05228	0.4
137.02335	0.3
151.07573	1.9
153.01834	100.0
154.02190	3.0
163.11176	0.7
165.12737	1.9
171.10213	0.8
179.10756	0.4
181.12294	0.5
183.13834	1.1
197.11771	0.5
207.10152	0.8
209.11745	1.1
223.09589	0.3
225.11288	1.7
227.12872	0.4
243.12134	0.3
253.09047	0.3
255.02919	0.6
285.04031	0.3
289.18091	1.2
317.16080	0.4
324.93646	0.3
340.98175	0.3
463.30814	0.9
465.26874	0.4
481.31467	0.3
525.10431	0.6
525.19598	1.3
525.27112	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
59.01250	3.2
61.98695	0.5
63.26001	0.3
65.00188	0.3
69.03333	1.8
71.01250	2.9
73.02826	0.4
81.03342	0.8
85.02816	2.9
87.00755	0.5
87.04385	0.4
89.02330	0.6
93.03339	0.8
95.01272	1.2
97.02843	1.2
98.19780	0.6
99.00778	0.6
100.12144	0.3
101.02330	1.1
107.01247	0.5
107.04887	0.6
108.02056	59.2
109.02870	11.9
111.08070	0.7
111.14565	0.4
113.02345	1.3
119.04896	0.4
121.02837	1.0
123.00774	1.2
123.04394	0.5
125.02325	2.5
133.02802	0.5
134.03630	0.6
135.00784	0.6
135.04439	1.7
137.02353	0.6
147.04414	0.3
151.00255	1.6
151.03931	0.9
151.07574	0.7
152.01060	100.0
153.01868	6.6
161.04482	0.5
163.03902	1.6
165.01877	0.5
165.12746	4.3
175.03879	0.4
177.01842	0.8
179.03377	0.6
183.13832	22.5
184.14189	1.1
191.05600	0.4
200.81967	0.4
205.04953	0.5
209.11914	1.6
227.12796	2.8
285.03882	0.6
289.18088	0.7
297.06116	3.3
315.07230	3.2
481.20837	2.5
481.31635	0.5
507.18683	9.8
508.18689	0.9
525.19763	87.7
526.20099	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	523.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26220	0.5
55.01764	2.7
57.03325	5.4
58.00472	1.8
59.01250	36.6
61.98707	0.7
65.03836	0.7
67.01779	0.9
69.03324	1.6
71.01253	38.5
72.01592	1.3
72.99171	4.0
73.02819	9.3
75.00747	2.3
80.74580	0.5
80.96399	0.9
83.01255	6.3
85.02819	16.9
87.00748	2.7
87.04370	1.2
89.02315	12.4
93.03343	1.9
95.01260	4.2
97.02847	1.5
97.06500	0.8
99.00745	4.9
101.02319	26.6
102.02651	1.3
108.02048	2.1
109.02836	11.5
110.03208	0.5
111.00753	2.0
112.48230	0.5
113.02325	15.7
114.02679	0.8
119.03358	5.3
123.00761	0.7
123.04395	0.6
123.08031	0.9
124.01555	3.4
125.02317	2.4
129.01810	1.1
131.03336	0.6
132.02026	0.9
134.03578	0.9
135.04440	1.5
137.02328	2.5
139.03886	2.9
141.01787	0.7
141.04042	0.6
141.12782	1.2
143.03362	1.6
143.10612	0.6
149.02367	0.5
149.05946	0.6
150.03191	0.9
151.03897	1.8
152.01025	2.9
153.01872	3.3
153.09123	0.7
159.02885	2.6
160.01581	1.5
161.02342	0.8
161.04472	4.9
164.04716	0.6
165.04002	1.3
165.05453	1.3
166.02643	0.6
171.13828	2.2
173.04466	1.1
175.03934	2.2
179.03442	4.6
179.05528	1.2
180.03667	0.7
181.04950	1.1
187.13292	1.0
190.02725	0.7
191.05522	1.2
193.04991	1.1
194.01892	0.6
199.13309	0.6
200.14024	0.6
201.14943	2.5
209.04478	1.2
215.07124	1.1
223.06161	0.7
249.06310	0.7
267.07239	0.9
273.20633	1.6
285.03992	1.7
315.25330	1.3
359.28046	2.9
361.29550	24.5
362.29916	3.0
385.11273	0.9
467.65182	0.6
505.13120	0.6
523.19269	3.2
523.34753	100.0
524.20184	1.0
524.29059	0.5
524.35217	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	523.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42546	0.3
53.96898	0.3
54.58729	0.2
55.01754	3.4
57.03323	4.1
58.00468	0.7
59.01250	15.1
60.01566	0.4
61.98666	0.3
68.99670	0.5
69.03324	1.1
69.46928	0.3
69.47272	2.3
71.01250	23.1
72.01582	0.7
72.72980	0.3
72.99187	1.9
73.02816	9.3
74.03154	0.3
75.00757	1.6
81.03288	0.3
83.01247	6.3
83.01707	0.5
85.02822	15.4
85.99950	0.4
87.00750	2.3
87.04383	1.6
89.02316	2.8
93.03324	1.0
95.01260	2.0
97.02817	0.9
97.06522	0.3
98.14698	0.3
98.20534	0.4
99.00762	3.9
99.08067	0.3
99.86769	0.3
101.02319	18.8
102.02664	0.4
108.02035	0.7
108.92314	0.3
109.02834	0.6
109.06445	0.6
111.00062	0.4
111.00767	4.6
111.83143	0.3
113.02326	9.2
119.03362	1.0
119.04911	0.3
123.04420	0.5
123.08038	0.8
124.01554	0.5
125.02330	1.4
125.09637	0.3
127.11096	0.5
129.01794	1.3
134.03659	0.4
135.04424	0.7
137.02304	1.0
139.00342	0.3
141.01868	0.3
141.09038	0.4
141.12741	0.6
143.03413	0.5
143.10686	0.8
145.67429	0.2
150.03133	0.3
152.01036	1.0
153.01799	0.8
153.09093	0.3
154.01337	0.4
155.10638	0.3
159.02890	2.2
161.02315	0.3
161.04454	2.9
163.03967	0.4
165.05536	0.3
165.12729	0.5
169.12247	0.7
171.13818	1.3
173.04457	0.7
173.11636	0.3
175.03865	0.5
177.01920	0.4
179.05614	0.3
183.13843	2.1
187.13286	1.3
191.05511	1.0
193.04807	0.3
196.17056	0.2
201.14853	1.5
217.14420	0.3
227.12880	1.0
239.09235	0.3
271.19287	0.4
271.22797	1.0
272.19540	0.3
273.19623	0.3
315.25186	1.6
329.27060	0.4
359.28183	1.5
361.13171	0.3
361.29572	16.0
362.29938	1.2
375.27399	4.3
376.27557	0.4
405.15359	0.6
439.76242	0.3
521.33124	0.5
523.34863	100.0
524.35217	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	523.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89724	0.7
59.01237	2.1
67.66243	0.5
69.03309	0.8
71.01254	0.7
71.58033	0.8
80.96393	0.8
89.02286	0.5
93.05963	0.5
94.01028	0.5
96.95872	0.6
107.04906	0.6
117.03319	1.1
121.02850	1.5
132.02057	0.6
133.01833	1.2
133.02843	22.4
134.03642	9.8
135.04407	47.2
136.04741	2.3
137.02330	6.4
139.03908	1.6
154.87355	0.6
161.02342	87.4
162.02753	4.1
178.02655	2.5
179.03413	22.7
180.03709	0.7
185.00790	0.9
211.43636	0.7
235.05896	0.8
287.22333	7.1
351.32474	0.7
363.25238	0.6
431.24338	32.3
432.24725	4.0
449.25427	14.8
450.25650	1.8
523.29089	100.0
524.29413	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	523.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.1
56.34713	0.4
57.03320	4.4
58.00470	0.6
59.01249	19.8
61.98699	0.6
67.01740	0.4
68.99695	0.7
69.03330	1.1
71.01250	27.6
71.04891	0.9
71.58794	0.6
72.01605	0.5
72.99180	2.3
73.02818	11.0
75.00735	1.8
75.34632	0.4
78.58162	0.3
78.95797	0.4
80.32976	0.3
83.01257	6.1
83.04900	0.6
84.02068	0.5
85.02820	16.4
87.00729	2.7
89.02313	6.7
93.03333	4.7
94.03676	0.7
95.01252	2.7
97.02831	1.1
99.00756	4.0
101.02319	22.8
102.02644	0.4
108.02053	1.1
109.02847	1.5
110.08883	0.4
111.00751	4.1
111.07977	0.5
113.02324	12.1
114.02666	0.4
119.03384	2.1
119.04910	1.2
121.02837	0.5
123.00727	0.7
123.08083	0.6
124.01522	0.7
125.02316	1.7
129.01814	1.7
131.03465	0.6
134.03593	1.0
135.04443	1.5
137.02336	6.1
138.02650	2.0
139.00275	0.7
139.02840	0.9
139.11177	0.4
143.03447	1.0
143.04889	0.4
145.02908	0.5
149.02286	0.8
149.05948	0.7
150.03130	0.8
151.03909	0.5
151.05983	0.4
152.01065	1.0
153.01894	0.6
155.10686	0.6
157.12247	1.4
159.02933	2.6
160.01564	0.8
160.03989	0.4
161.04462	4.4
163.03917	1.5
164.04774	0.6
165.05453	0.5
165.12784	0.5
167.03351	0.4
169.01350	0.9
171.13884	0.6
173.04497	1.4
175.03915	1.0
177.01920	0.5
177.05461	0.9
179.03371	0.6
179.05548	0.9
180.06540	0.4
183.13800	2.4
186.17145	0.4
187.13304	0.8
191.05501	1.7
193.05008	0.9
201.14914	1.4
205.05113	0.4
227.12822	1.3
285.03882	0.5
313.11432	1.6
315.07623	0.4
343.15515	0.9
343.28598	0.5
346.03183	0.5
359.27914	2.1
360.28207	0.4
361.05722	0.7
361.12723	0.6
361.16611	1.6
361.29568	16.9
362.30029	1.1
373.26080	0.5
374.25925	0.5
375.27371	7.8
376.27762	0.5
403.08664	0.4
451.75290	0.4
460.28458	0.4
491.08005	0.5
508.58438	0.4
521.33289	0.5
523.34888	100.0
524.11261	0.6
524.22852	0.9
524.35223	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	523.2202
Annotation	Mascaroside
Peak:m/z	Relative Intensity
54.41060	0.3
55.01753	1.7
57.03317	1.9
58.00504	1.6
59.00970	0.8
59.01251	25.7
59.13112	0.3
59.82903	0.3
69.03372	1.3
70.32883	0.3
71.00892	0.9
71.01253	22.3
71.58357	0.3
72.99187	2.0
73.02814	5.1
75.00800	1.3
78.95807	0.5
81.09041	0.3
83.01259	4.4
85.02825	10.2
85.99993	0.4
87.00756	2.9
88.98740	0.9
89.01805	0.3
89.02317	9.2
93.03337	2.7
95.01276	3.2
96.95889	6.1
97.02859	0.9
98.02410	0.5
99.00739	2.0
99.18093	0.3
101.02325	15.8
108.02053	14.8
109.02864	8.5
110.02554	0.4
110.03223	0.5
111.00807	0.8
113.02326	7.7
113.03027	0.5
119.01427	0.5
119.03396	3.7
119.04971	1.5
121.02843	14.2
122.03629	12.0
123.00829	1.5
123.04440	3.5
124.01525	2.0
125.02372	1.5
129.01883	0.5
129.03387	1.3
134.03607	1.9
135.04405	3.2
136.05267	1.5
137.02341	4.4
137.03297	0.4
137.05943	0.5
139.00305	0.3
139.03943	0.6
143.03456	0.6
145.02863	0.5
146.03725	0.5
147.04419	8.9
148.05177	0.7
149.02345	1.9
149.04501	0.3
149.05974	2.2
150.03214	0.7
151.03984	1.8
152.01059	18.7
153.00333	0.6
153.01825	5.0
153.05507	0.5
154.02681	1.9
155.02313	0.4
155.03471	1.0
157.56958	0.4
159.03006	0.6
159.04507	0.7
160.05231	0.5
161.02365	0.7
161.04539	1.8
161.06052	3.3
161.07175	0.4
162.06746	1.2
163.03946	2.0
163.88937	0.4
164.04764	1.5
165.05486	29.6
166.05995	0.8
168.04315	0.5
173.04536	1.4
173.06079	1.2
174.06866	0.4
175.00294	1.7
175.03918	0.8
175.07597	1.0
176.00693	0.4
177.05611	0.5
178.06339	0.7
179.03500	0.8
179.07036	9.2
179.08507	0.5
181.05002	0.4
189.09190	0.4
190.02682	1.2
191.03287	1.2
191.05574	1.3
191.07120	2.1
192.00633	0.4
192.03851	0.4
193.01431	0.5
193.05095	0.5
205.05107	1.3
206.05269	0.4
209.08105	0.5
209.11771	0.7
223.06158	0.6
223.09747	1.1
225.07736	1.8
283.09958	0.5
297.06180	1.0
298.12140	1.1
299.12878	0.7
300.02859	0.4
313.11023	0.7
313.14502	2.5
315.07251	1.4
315.12347	2.6
316.12997	1.0
317.13754	0.4
328.13275	2.4
329.10266	0.5
329.13904	1.2
331.15451	0.7
343.11847	0.5
343.15469	6.2
344.15973	0.5
346.09946	0.6
346.14160	10.7
346.18121	0.7
347.14801	3.1
361.16553	100.0
362.16913	9.9
433.07721	0.6
490.20459	0.4
491.08130	1.0
505.10126	0.4
523.14087	14.4
523.21704	99.9
524.14575	1.8
524.22107	14.1
546.30206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.2
57.03325	4.0
58.00475	1.3
59.01250	21.9
63.04858	0.5
65.02262	0.5
69.03316	1.2
69.57615	4.3
70.49368	0.6
71.01252	29.8
71.04865	0.7
71.29946	0.5
72.99178	2.4
73.02814	13.3
74.57158	0.5
75.00743	1.5
79.71878	0.5
82.93127	0.6
83.01260	8.2
85.02818	19.3
85.06438	0.9
87.00746	3.7
89.02311	4.0
93.03378	1.1
93.06974	5.6
95.01251	3.1
96.07399	0.5
97.02827	1.3
98.20536	0.8
99.00755	5.7
101.02318	28.6
102.02678	0.6
107.01286	0.8
108.02031	0.9
109.02840	4.7
111.00770	4.7
113.02328	12.1
119.03403	1.2
119.04890	1.3
121.89363	0.5
125.02366	1.3
129.01846	1.6
135.04451	0.8
135.57100	0.6
137.02327	1.3
141.01872	0.9
143.03357	0.8
147.11699	1.0
149.02332	1.3
151.00269	2.2
152.01047	1.6
153.01836	7.9
153.09140	0.7
155.03413	0.6
157.12209	1.2
159.02916	3.0
161.04466	7.3
163.00330	1.8
163.03879	0.9
165.12761	0.7
170.18402	0.6
172.13832	0.5
173.04440	1.0
175.00314	1.0
175.04066	0.7
178.99829	0.7
183.13824	1.2
192.65117	0.6
206.99147	0.8
229.18024	12.1
315.07336	0.8
317.03113	2.8
317.06262	0.8
359.28006	8.4
373.25885	1.5
389.25208	1.4
391.23352	16.0
392.23767	1.2
412.17038	0.6
461.31033	1.3
491.32123	1.6
503.32196	1.3
521.33307	100.0
522.33679	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	521.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73437	0.6
55.01763	3.5
57.03316	5.3
58.00457	2.4
58.47832	0.5
59.01249	39.7
60.87507	0.5
62.94649	0.6
65.03810	0.5
68.99655	0.6
69.03305	1.2
69.50520	1.3
69.50939	3.3
71.01250	38.1
71.04892	0.9
72.99175	3.3
73.02815	12.3
75.00735	2.2
83.01257	6.6
83.02443	0.5
85.02821	22.1
85.88158	0.5
86.03206	0.5
87.00742	4.2
87.04372	1.1
89.02312	12.6
90.26704	0.5
93.03310	0.8
95.01256	5.0
97.02818	1.2
98.19790	1.1
99.00749	5.0
101.02314	33.0
102.02660	0.7
108.02049	1.6
109.02869	3.7
109.19405	0.6
111.00747	5.1
113.02320	17.1
117.13005	0.6
119.03386	6.7
119.04852	0.7
121.02838	0.7
121.10090	2.6
124.01561	0.6
125.02330	1.8
125.09591	0.9
127.11184	0.6
129.01808	1.7
131.03380	1.3
131.05582	0.5
133.02863	0.6
134.03593	0.6
136.01537	0.9
137.02327	5.9
137.09573	0.9
139.11313	0.6
141.01813	0.6
141.12740	1.1
143.03404	0.8
143.10626	0.7
149.02364	1.3
150.03139	5.9
151.03903	1.6
152.01059	2.3
153.01839	5.4
153.12695	0.8
155.10684	1.4
157.12244	1.0
159.02863	2.7
161.02356	1.1
161.04465	6.0
163.03940	1.1
165.05484	1.4
166.02634	1.8
171.13820	1.6
173.04442	1.0
179.05495	1.9
181.05020	1.8
183.13792	1.4
185.11719	1.0
187.13333	1.7
190.02574	0.7
193.05009	1.1
199.13281	0.8
201.14876	8.1
223.06041	0.9
227.12933	0.7
249.06174	0.7
271.06650	0.7
271.15579	0.5
271.19101	0.8
285.04016	0.5
287.05585	1.1
299.25964	0.6
302.07901	4.3
317.06818	0.9
317.10251	11.5
318.10837	1.2
341.26959	1.2
343.24957	0.8
359.27985	20.2
360.28415	1.8
363.20282	3.1
373.25848	6.9
374.26373	0.8
385.11343	0.6
461.14777	0.8
461.31082	1.6
521.33319	100.0
522.33649	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.3
57.03321	4.5
58.00452	1.0
59.01248	19.0
65.90810	0.4
68.99682	0.5
69.03319	0.8
69.42523	3.1
71.01247	26.4
72.99178	2.0
73.02813	9.6
75.00739	3.1
78.95753	0.3
83.01254	6.6
83.01737	0.3
85.02818	17.1
85.99963	0.4
86.03162	0.4
87.00759	3.1
87.04383	1.2
89.02314	5.1
93.03329	1.0
95.01257	2.9
97.02837	0.6
99.00755	5.0
101.02316	22.5
108.02022	1.1
109.02859	1.7
111.00748	3.6
111.08069	0.4
113.02322	11.9
119.03350	1.8
121.02801	0.6
124.01543	0.7
125.02305	1.6
127.11151	1.3
129.01808	1.5
131.03404	0.4
135.04373	0.4
137.02321	1.6
137.09589	1.4
139.03900	0.5
143.03352	0.9
151.03951	0.4
152.01038	1.5
153.01839	2.5
153.12729	1.2
155.10640	2.3
157.12221	1.4
159.02904	2.7
161.04451	4.2
163.03885	0.3
164.04681	0.5
171.13852	0.7
173.04398	0.5
174.80957	0.3
179.05496	0.7
183.13814	1.8
183.91296	0.3
184.78116	0.3
190.02467	0.4
201.14890	3.3
205.05003	0.6
223.05952	0.3
227.12839	0.4
229.18031	1.4
230.15219	1.8
249.06186	1.8
253.18079	0.4
260.48279	0.3
271.19122	5.3
272.19467	0.5
273.04190	0.4
273.07703	0.4
315.07062	0.4
341.26694	0.4
347.20963	0.4
353.76395	0.4
359.28012	19.1
360.28363	2.0
366.89404	0.4
373.25940	2.5
391.23331	4.8
423.25952	0.4
503.24863	0.4
503.32178	0.8
519.31317	0.8
521.25854	15.7
521.33197	100.0
522.18634	0.5
522.26324	1.6
522.33533	13.4
547.79675	0.3
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
50.80767	0.9
55.01762	4.9
56.69600	0.9
57.03314	4.6
58.00462	1.5
59.01253	98.6
61.98704	1.3
63.49245	0.9
65.42055	0.9
69.03333	1.9
69.28702	10.6
71.01254	68.8
72.99181	3.2
73.02822	25.0
75.00752	2.5
83.01257	13.4
83.19521	0.9
85.02824	36.2
87.00746	4.1
89.02317	12.9
90.23954	1.1
95.01262	4.9
97.02823	3.7
99.00762	11.3
101.02324	47.2
103.03887	3.8
108.02056	1.4
113.02329	27.6
119.03357	5.8
121.02847	1.8
124.01553	3.1
125.02341	5.9
135.04413	2.4
137.02321	1.7
143.03416	4.4
152.01038	2.9
159.02931	5.7
161.04466	30.6
161.05812	1.8
163.05980	5.9
205.07080	2.2
229.06981	1.1
249.06050	3.1
287.05551	1.9
302.07956	2.2
307.10312	1.2
307.33075	1.1
315.18127	44.4
316.18405	3.0
317.10260	5.6
359.28073	2.8
461.23956	100.0
461.30682	4.2
462.24277	10.5
521.25836	5.5
521.32001	5.2
545.32141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	1.0
57.03325	1.8
58.00468	2.3
59.01252	100.0
60.01599	0.8
61.98713	0.9
66.69457	0.5
69.03333	2.1
70.58468	2.0
71.01255	37.5
71.04918	0.7
72.80810	0.6
72.99188	3.7
73.02821	20.6
75.00764	1.1
81.03334	1.2
83.01261	3.8
85.02825	12.6
87.00751	6.2
87.04400	2.6
89.02319	29.0
93.03354	1.6
95.01292	2.0
95.37878	0.6
96.95907	0.7
97.02825	1.6
99.00771	1.6
99.04424	0.8
101.02325	41.5
103.03892	13.6
103.04546	1.0
108.02074	2.0
109.02889	1.2
111.00790	0.6
113.02328	10.2
113.03049	0.8
115.03914	4.6
119.03397	12.5
121.02876	0.7
124.01574	0.9
125.02359	4.7
127.03925	1.5
129.21111	0.6
131.03397	8.2
134.03644	4.1
137.02403	1.8
143.03432	9.9
145.04985	4.3
149.02405	1.1
149.04565	1.1
149.06004	3.2
152.01122	3.5
153.01842	1.4
161.04393	2.7
163.06046	49.9
164.04909	0.9
164.06329	1.5
167.10703	4.3
175.03941	0.7
179.05516	2.7
190.02687	0.8
191.03564	0.6
191.05470	1.1
193.05009	1.2
205.07124	18.1
265.09213	4.4
285.04041	0.8
292.82086	0.8
293.08960	1.2
299.25952	0.6
315.18042	3.3
317.27094	1.7
359.27936	1.2
461.24066	15.1
461.31262	6.6
462.24380	1.8
479.32007	3.5
485.30533	0.6
521.13849	0.9
521.21680	1.8
521.33405	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	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11668	0.5
53.56573	0.5
59.01250	3.4
60.75547	0.5
61.98680	1.1
69.01345	0.5
69.03310	0.8
69.94736	3.1
71.01260	3.4
72.99181	0.7
73.02811	0.9
75.00755	0.6
83.01282	0.5
84.53246	0.5
85.02821	2.2
87.00718	0.7
88.98699	0.6
89.02309	1.2
93.03339	2.1
96.95892	0.9
99.00857	0.6
101.02319	1.6
108.02060	1.6
109.02836	17.3
113.02325	1.9
119.04890	0.8
120.20692	0.5
121.02856	1.2
122.05948	0.7
123.04398	0.6
125.02325	1.2
131.29781	0.6
133.02885	0.7
134.03610	0.8
135.04385	1.0
136.01572	0.8
137.02278	0.8
137.05952	0.6
137.30611	0.5
145.02747	0.6
147.04480	0.6
149.02357	0.6
151.03946	3.1
152.01080	1.2
152.04214	1.2
153.01810	1.1
158.03679	0.7
159.04420	6.8
161.02379	0.6
161.04456	1.0
161.05884	0.6
163.03897	0.7
173.04541	1.2
173.05946	6.5
175.03957	0.6
177.05562	0.6
178.41138	0.6
189.05499	4.6
190.06149	1.1
191.05687	4.0
191.07097	3.5
197.46677	0.6
203.07121	2.7
204.06554	0.8
213.05431	0.8
225.05605	1.1
240.04358	2.7
241.05020	11.7
242.05286	0.8
253.13405	0.7
255.06609	8.0
256.07153	0.9
267.06854	1.3
267.36169	0.5
269.08258	1.8
271.09744	0.9
281.08411	1.2
283.09958	0.7
295.09744	1.1
297.12503	2.0
298.08289	1.3
299.09222	8.0
300.09802	1.1
313.10812	11.4
314.11282	0.9
325.11771	0.9
326.11890	0.6
327.12445	1.3
329.10266	6.0
330.10449	0.7
343.11783	3.2
344.12613	39.8
345.13043	3.6
355.13019	2.9
359.14987	100.0
360.15326	9.7
399.11856	1.1
401.13162	0.8
431.14536	7.0
432.14822	0.9
461.15240	1.1
521.18188	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	521.2026
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01747	1.9
57.03323	1.6
59.01250	35.8
65.70815	0.7
68.01280	0.7
69.33705	0.9
69.34112	6.8
71.01249	26.3
72.99174	2.8
73.02812	5.4
75.00746	1.2
77.60203	0.8
83.01250	4.5
85.02812	9.7
87.00736	2.7
89.02313	16.1
91.46876	0.7
93.03324	4.3
94.02854	6.7
95.01254	3.6
97.02840	3.0
98.19669	0.9
99.00739	2.0
99.90313	0.8
101.02317	14.6
101.02979	0.7
108.02082	5.3
109.02830	23.4
110.03186	0.9
111.00728	0.9
113.02320	9.4
119.03383	4.7
119.04924	1.2
121.02848	1.8
123.00784	1.9
123.04406	2.2
124.01560	1.4
125.02346	2.9
134.03630	1.9
135.04422	1.8
136.46989	0.9
137.02371	5.1
138.01868	9.4
139.00229	1.1
139.03899	3.2
149.02353	3.7
149.99501	0.9
150.03091	0.8
151.00290	0.9
151.03902	2.5
152.01042	5.9
153.01849	19.2
159.04373	3.6
160.01584	2.0
161.02269	1.0
161.04474	0.9
163.03874	2.3
164.04697	1.6
165.01857	1.9
167.03394	1.9
168.00565	1.8
171.10194	0.8
172.05209	1.4
173.04456	2.3
173.05978	4.1
175.03925	2.6
175.07518	0.9
176.01112	0.9
177.01822	1.0
179.03339	0.7
179.05461	1.7
185.00723	0.8
189.05492	1.9
190.02568	1.1
191.03484	1.4
191.05472	1.9
191.06992	1.3
193.04938	2.0
197.11823	1.1
203.07005	1.6
205.03258	0.8
223.06041	1.4
241.05066	6.1
253.05061	1.6
255.06580	3.4
267.06625	1.8
268.07324	1.2
269.07953	1.2
281.08032	2.2
283.09738	0.8
292.82162	0.9
295.09708	4.1
296.10098	1.2
297.06104	1.8
299.09210	3.3
311.09268	4.9
311.12253	1.0
313.10843	7.9
315.07224	22.4
316.07596	1.6
326.11502	2.6
327.12128	1.6
329.10254	3.1
329.13818	1.5
331.07019	1.1
341.13821	4.5
343.11813	1.5
344.12628	24.2
345.13037	3.5
351.36276	1.0
359.14981	53.6
360.15262	4.5
461.01852	0.8
503.11063	1.1
521.20209	100.0
522.13312	1.1
522.20581	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	521.2028
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01744	1.9
57.03308	2.4
58.00457	1.3
59.01248	25.7
59.76760	0.6
67.83195	0.6
69.03303	1.4
71.01250	24.1
71.36053	1.3
72.99162	3.3
73.02819	4.1
75.00724	1.9
78.95776	0.7
83.01239	2.8
83.04856	0.6
83.05675	0.7
85.02817	11.3
87.00746	2.4
89.02312	11.7
91.01775	1.0
93.03322	2.7
95.01273	4.0
97.02821	0.9
99.00733	2.3
101.02320	17.0
101.02985	0.9
108.02051	3.3
109.02829	10.9
111.00729	0.9
111.04402	0.8
113.02309	7.6
118.41390	0.8
119.03391	4.6
119.04884	2.3
121.02828	0.8
123.00745	3.1
123.04401	1.7
124.01518	0.9
125.02324	3.0
129.01802	0.9
133.02812	1.3
134.03600	2.7
135.00728	1.4
135.04416	2.3
137.02327	2.0
139.03873	4.9
143.03375	1.2
147.04333	0.8
149.02336	0.9
149.04532	0.7
149.05977	0.9
150.03084	1.3
151.03835	1.2
152.01009	2.9
153.01849	8.6
159.04384	2.9
160.01505	1.6
160.05107	0.7
161.02313	2.2
161.04521	1.1
161.05971	1.7
161.67308	0.6
163.03876	2.0
165.05496	1.6
166.99643	0.7
167.03456	1.4
168.00572	1.4
171.10081	1.3
172.05257	0.9
173.04417	3.5
173.05972	3.2
175.03888	2.1
177.02002	0.7
179.03383	1.1
183.02780	0.7
187.07581	1.0
189.05444	2.0
190.02510	1.2
191.03447	0.6
191.05502	4.2
191.07024	1.1
193.05005	2.3
195.06621	1.3
197.11717	1.9
201.05498	0.7
202.02580	1.1
203.07063	1.0
205.05002	1.2
223.05978	1.3
240.04097	0.7
241.05038	5.7
249.05920	1.2
253.04807	0.7
255.06573	2.5
267.06567	1.5
281.08075	1.1
283.09564	1.1
295.09616	1.9
296.10440	0.9
298.08469	0.8
299.09277	3.5
299.12231	0.7
311.09183	3.3
311.12656	1.0
312.09860	0.7
313.05545	3.6
313.10751	6.4
315.07025	1.7
315.12387	4.1
326.11469	2.7
329.10052	1.8
330.59717	0.7
341.10104	1.3
341.13770	4.3
343.11853	2.1
344.12585	18.1
345.12988	2.3
359.14966	56.4
360.15390	5.8
521.13495	3.8
521.20227	100.0
522.13129	1.0
522.20502	14.3
522.53888	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.7
57.03321	100.0
58.03650	1.4
59.01247	40.6
61.98697	7.7
68.99699	1.1
69.03327	1.3
71.01249	26.1
71.58720	0.9
71.59064	1.0
72.99186	2.2
73.02816	9.8
75.00755	2.8
81.03346	2.3
83.01247	6.4
85.02818	16.4
85.06484	1.2
85.74213	0.8
87.00754	2.5
87.04406	2.6
89.02324	7.9
93.03344	5.3
95.01272	2.2
96.95901	1.7
97.02830	1.4
97.06459	1.6
99.00754	4.7
99.04389	82.2
100.04726	1.5
101.02317	38.2
101.19389	0.8
103.03921	1.7
108.02064	7.2
109.02834	4.4
111.00780	2.5
111.04436	1.6
113.02317	10.4
119.03402	2.7
119.04920	3.7
121.02834	6.0
122.03656	0.9
123.00786	1.2
123.04439	1.5
125.02319	10.5
125.09686	1.2
129.01848	1.7
133.02859	1.8
133.04973	2.0
134.03624	1.9
135.04416	3.2
136.01559	1.3
137.02361	6.3
138.02756	0.9
139.00227	1.1
143.03424	1.7
145.02853	3.6
149.02341	11.8
150.03102	14.6
151.00307	1.5
151.03947	5.7
152.01073	8.9
153.01846	6.6
155.03380	1.3
159.02916	1.7
160.01541	1.6
161.02332	2.6
161.04457	40.7
162.03127	5.1
162.04521	0.8
163.03903	3.2
163.06042	1.1
164.04712	5.9
165.05472	24.3
166.06253	22.1
167.03419	1.4
167.06841	1.1
173.04449	6.0
175.00371	1.0
175.03896	1.9
177.05516	6.6
179.03506	2.2
179.05481	1.3
179.07031	1.4
181.08598	13.4
190.02707	2.4
191.03802	1.1
191.05605	2.8
193.05026	2.5
195.06531	9.6
205.05049	2.8
207.06689	1.2
213.09253	0.9
223.06070	2.3
229.18141	2.4
237.07661	5.2
267.07300	1.5
271.19312	1.1
277.10712	1.8
284.03070	0.8
291.07590	1.0
299.05521	0.9
306.10248	1.1
314.11609	4.5
315.07236	1.7
329.13919	29.7
330.14224	1.6
337.09326	1.2
341.06473	1.4
357.15402	1.1
359.27972	9.2
373.25858	12.0
377.15985	8.2
378.16260	1.1
389.25656	3.0
391.23352	2.7
419.17279	3.5
459.20343	2.9
490.16779	1.9
521.13062	9.3
521.20898	4.5
521.33429	59.4
522.33490	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	521.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78407	1.0
57.03327	1.9
59.01246	9.5
69.03309	1.5
71.01256	9.7
71.11095	2.6
72.96113	1.3
72.99191	1.8
73.02824	3.8
75.00731	5.5
81.03323	1.3
83.01254	2.1
85.02817	5.9
89.02290	2.9
93.03344	2.7
96.95876	1.9
99.00770	3.3
101.02312	3.9
104.83609	1.1
108.02041	2.2
109.02834	4.2
109.98501	1.1
113.02303	5.6
117.03362	1.8
119.04898	2.4
121.02833	1.9
122.06002	3.7
125.02338	1.8
132.02052	1.3
132.04424	1.0
134.03639	5.9
135.04422	4.3
137.02307	3.2
138.05357	1.0
144.04454	2.3
145.02863	1.5
146.06056	3.0
147.03156	2.0
147.04344	2.3
149.02322	2.1
149.06033	2.1
150.03160	1.3
151.03922	2.6
152.01057	3.3
153.01825	2.7
153.02979	4.0
155.03424	1.3
159.04428	1.1
160.01563	3.8
160.03949	2.6
161.02310	3.0
163.03888	2.0
163.06023	1.8
164.03421	2.3
164.04700	2.2
172.03917	3.2
173.04558	3.2
174.05518	2.6
175.03929	4.0
176.07063	2.0
188.07025	1.6
190.04984	2.2
191.03552	1.1
191.05537	8.1
191.07036	1.7
193.04996	6.1
202.04961	1.2
204.06648	9.5
205.07054	1.7
218.04794	1.2
226.12352	1.6
229.13226	1.3
230.04529	1.4
232.06070	2.2
235.06142	1.2
237.10255	1.6
238.11084	2.3
239.08279	1.1
239.11818	1.4
241.09789	2.4
248.05693	3.0
249.06075	3.5
251.11858	1.3
253.06091	1.4
253.13451	8.3
255.11336	2.3
262.07220	2.8
263.08014	2.8
267.07501	3.7
268.08502	1.8
269.09091	1.1
269.12872	1.7
280.08835	1.4
281.09399	3.0
282.10037	2.8
283.10831	3.5
295.10867	5.4
295.14307	1.2
296.11493	5.0
297.12427	23.4
298.12714	1.3
309.08868	1.2
311.13928	3.5
323.10403	2.1
325.11856	7.2
329.14960	2.3
337.11780	1.6
339.13617	1.7
341.11307	1.5
353.11545	2.4
355.12955	34.6
356.13388	4.1
367.12949	3.5
381.10782	1.9
387.15634	1.9
399.11978	11.9
401.13342	9.9
402.13419	1.8
411.11832	2.4
413.13300	1.7
431.14551	100.0
432.14868	11.4
435.11716	1.4
443.14612	8.8
452.44073	1.2
461.15588	11.1
462.15842	1.8
467.14755	2.5
485.15668	4.3
486.16354	1.3
503.16241	2.8
509.67334	1.3
521.17212	30.7
522.17987	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	521.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.4
57.03319	0.3
58.00447	0.2
59.01249	6.8
62.65441	0.1
65.34605	0.1
69.03308	0.2
71.01247	5.8
72.99180	0.4
73.02815	1.6
77.03865	0.2
79.88244	0.1
80.45672	0.2
83.01252	0.6
85.02815	1.9
85.95781	0.2
87.00738	0.3
87.50259	0.2
89.02312	2.9
93.03335	0.9
95.01247	0.5
97.02848	0.4
98.20656	0.3
99.00751	4.0
101.02318	3.7
107.04915	0.2
108.02038	1.1
109.02821	0.4
113.02325	3.0
119.03387	0.6
119.04914	0.2
121.02837	100.0
122.03163	3.2
123.04396	3.9
124.01573	0.2
125.02346	0.5
131.03406	0.5
135.04433	0.3
137.02365	0.9
143.03418	0.6
149.02348	0.2
150.03148	0.5
152.01050	1.2
153.01799	0.5
154.01355	0.2
159.02811	0.2
161.04462	0.9
161.08177	0.1
163.03894	0.2
165.05476	0.5
179.05489	0.4
190.02557	0.2
191.05530	1.5
191.06998	0.2
193.05014	0.3
201.14882	0.4
227.07019	1.2
229.70285	0.2
269.04498	0.4
283.08215	4.9
283.11365	0.3
284.08600	0.3
285.04144	0.2
293.08722	0.8
298.04770	0.2
299.09372	0.3
317.10291	0.7
327.10855	0.2
359.28064	1.1
373.26007	0.2
399.12695	0.9
413.10846	0.2
461.24640	0.2
461.31241	1.0
477.17752	0.3
479.32693	0.2
520.32135	0.4
521.16675	5.3
521.33282	4.8
522.17230	0.8
522.33618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21028	0.2
54.09976	0.2
55.01752	1.5
57.03316	1.5
58.00468	0.5
59.01247	12.4
66.16311	0.2
69.03322	0.4
69.30043	2.1
71.01246	12.2
71.04890	0.2
72.99177	0.9
73.02813	3.9
75.00710	0.2
83.01248	2.4
84.03333	0.2
85.02818	5.9
87.00742	1.2
87.04414	0.4
89.02311	4.4
93.03330	0.9
95.01259	1.8
96.95859	0.4
97.02837	0.4
97.06453	0.3
99.00726	1.3
101.02318	9.3
108.02040	6.9
109.02834	1.5
109.99931	0.3
111.00754	2.5
113.02323	4.8
119.03386	2.0
121.02847	1.0
121.10077	0.5
122.03613	0.3
123.00768	2.7
123.04389	0.8
124.01560	3.6
125.02333	1.2
129.01875	0.3
129.09035	0.2
133.02812	0.3
134.03604	0.6
135.04419	1.1
136.01552	14.4
137.02342	14.3
137.03433	0.4
138.03159	1.4
139.03899	2.4
143.03362	0.7
143.10681	0.4
145.02849	0.6
149.01399	0.1
149.02336	7.6
150.03123	28.5
151.03905	46.7
152.01045	2.3
152.04224	1.7
153.01819	1.0
153.09189	0.2
157.12291	0.4
159.02879	0.6
160.01523	0.2
161.02328	0.5
161.04462	2.2
162.03149	0.8
163.03926	2.3
164.04732	2.2
165.05475	19.8
166.02649	0.4
166.05788	1.1
169.12265	0.5
173.04492	0.3
175.03922	0.7
177.05467	0.9
179.05519	0.4
179.07069	0.3
183.13809	0.7
187.09738	0.2
190.02618	0.3
191.05582	0.3
193.01215	0.2
193.04898	0.3
199.13412	0.2
201.14885	0.3
205.05072	0.3
208.03760	0.5
215.07063	1.5
215.16458	0.2
223.06062	2.1
227.12836	0.3
229.17883	0.3
241.04955	1.0
242.05441	0.2
243.06555	0.5
244.03542	0.3
245.04398	0.3
255.02921	0.3
268.03452	0.2
268.63712	0.3
269.04468	2.2
270.05316	2.0
271.05777	0.4
272.03189	0.5
284.03311	0.2
284.06641	0.2
285.04022	0.3
285.07651	0.9
286.04791	0.4
287.05597	6.8
288.05768	0.3
299.05579	0.3
300.06323	0.4
301.07135	0.6
302.07913	9.5
303.08313	0.7
313.24005	0.3
315.08707	0.3
316.09570	0.2
317.10257	100.0
318.10605	7.9
359.11316	0.3
359.27969	7.5
360.28485	0.3
373.25906	3.5
461.14496	3.8
462.14447	0.4
479.15335	0.7
520.31989	0.6
521.16736	9.2
521.33319	34.2
522.17157	1.4
522.33929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1663
Annotation	Lysidiside L
Peak:m/z	Relative Intensity
55.01753	1.9
57.03316	2.4
58.00463	1.1
59.01253	17.2
69.03303	1.2
69.47875	1.4
69.48280	4.8
71.01256	18.5
72.99182	2.3
73.02818	9.2
75.00729	0.9
83.01274	4.5
85.02824	11.0
87.00753	2.3
89.02316	7.6
92.02554	0.8
93.03339	77.1
94.03676	2.4
95.01244	3.4
97.02831	0.8
99.00758	17.2
101.02320	20.7
107.04914	3.1
108.02077	3.7
109.02863	1.2
111.00748	1.3
113.02329	12.7
118.08276	0.7
119.03407	1.9
121.02846	52.6
125.02365	2.0
128.78473	0.7
131.03395	1.7
135.04471	0.7
136.01515	2.4
137.02344	70.4
138.02695	1.8
138.09787	0.7
143.03381	1.9
149.02364	1.1
150.03099	2.1
151.03903	2.3
152.01123	3.3
152.02245	0.7
153.01895	1.1
155.10683	0.8
159.02866	1.1
161.02309	1.7
161.04472	5.1
162.03065	0.8
163.03871	0.8
165.05508	1.3
166.02669	1.0
171.13864	0.8
173.04546	0.8
175.03966	1.3
175.38316	0.6
179.03406	1.1
191.03387	0.7
191.05540	4.3
193.04947	0.7
196.44727	0.7
197.06009	13.5
198.06371	1.6
199.07587	5.6
201.14941	1.1
209.06036	1.2
225.05452	0.9
227.07086	100.0
228.07397	5.0
281.06708	5.2
293.08698	1.2
302.08139	1.1
317.10266	5.1
333.19077	1.0
344.95786	0.6
359.28070	7.3
413.10886	31.6
414.11087	4.1
521.16931	7.3
521.33289	28.0
522.17004	0.7
522.33295	1.2
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
55.01741	1.7
57.03309	1.3
59.01250	11.1
65.03828	6.5
67.01759	3.8
69.32877	2.0
69.33297	2.6
71.01250	12.7
72.99155	0.8
73.02827	4.1
83.01247	2.8
85.02813	5.7
87.00736	0.8
89.02312	2.6
91.01771	1.1
93.03310	0.9
95.01237	1.1
97.06439	0.9
99.00764	1.4
101.02316	7.8
107.04920	0.5
108.02035	1.3
109.02830	69.6
110.03175	1.5
111.00764	1.0
113.02326	4.9
119.01231	1.0
119.03381	0.8
121.02831	1.3
125.02364	0.6
129.01855	0.7
135.00764	8.0
135.04416	1.2
137.02359	1.8
143.03349	0.7
147.00844	0.6
149.02325	6.5
149.04305	0.5
150.71835	0.5
152.01019	1.3
152.07053	1.1
153.01831	100.0
154.02136	3.0
159.02975	0.6
161.04448	2.3
163.03883	0.5
164.04688	6.3
165.01756	0.6
171.10168	0.5
175.00276	7.0
176.00870	0.5
179.07033	1.0
183.13913	0.5
190.02621	23.6
191.03239	1.6
191.05447	0.9
193.05019	0.6
205.03017	1.1
205.04985	22.9
206.05319	1.5
208.03677	0.9
223.06076	7.0
227.49998	0.5
229.18047	0.6
251.63043	0.5
315.07272	2.8
355.24658	1.0
359.27960	5.4
367.10300	18.9
368.10727	1.0
373.25970	1.8
391.23480	0.6
405.25107	1.0
461.31415	0.5
477.13925	4.0
478.14157	0.6
518.32684	0.6
521.12897	17.5
521.33435	25.6
522.13586	2.0
522.34369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64078	1.4
57.03326	4.8
59.01242	21.9
69.03309	4.9
69.29357	17.5
71.01250	15.0
72.99156	2.0
73.02794	2.4
75.00718	3.2
81.03339	2.9
85.02820	7.0
87.00768	2.3
88.98667	2.9
89.02305	6.5
91.01769	2.6
93.03334	4.4
93.08862	1.5
95.01263	4.4
96.95866	1.6
97.06462	2.5
99.00765	3.7
101.02312	6.1
105.82005	1.5
108.02045	71.5
109.02843	28.2
113.02313	7.4
119.01280	2.1
119.03437	2.0
119.04925	7.6
120.14886	1.5
121.02843	11.0
123.00732	4.3
123.04446	2.5
125.02356	8.2
135.00679	2.2
135.04372	4.2
135.69252	1.5
137.02304	4.7
139.03911	1.8
143.03319	2.1
145.02853	2.9
149.02327	18.7
151.00270	2.8
151.03842	1.7
152.01054	92.3
153.01854	43.1
153.05466	1.9
161.04425	2.8
163.03915	7.1
164.04712	11.2
165.01900	4.1
166.02623	3.5
167.03358	2.0
173.04475	3.6
175.00293	10.8
175.03815	1.9
176.01041	7.3
177.01842	3.0
179.07018	2.1
181.04932	1.8
181.12234	1.9
190.02672	23.9
191.03389	14.6
191.05275	2.8
193.05032	2.1
195.06682	2.3
205.04991	18.7
207.10205	4.6
209.04517	3.1
213.14659	1.8
221.07655	1.8
223.06082	9.7
225.11232	8.8
234.14520	1.9
249.06165	2.6
255.02867	3.0
284.03278	10.5
285.03979	2.2
287.05533	3.7
297.06161	6.4
299.05566	17.6
301.06775	2.0
302.07928	2.5
315.07227	2.7
317.10257	12.5
337.05377	2.0
338.06168	2.3
353.08740	10.6
355.50751	2.2
367.10294	3.4
373.01385	1.9
373.25946	6.6
434.12103	1.8
461.20267	6.6
521.12970	100.0
521.19659	3.4
521.25751	7.0
521.33044	5.6
522.13312	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	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75530	0.5
57.25212	0.7
59.01242	2.2
65.14967	0.6
69.03328	1.9
69.26394	6.6
69.64806	0.5
71.01247	1.1
75.28693	0.5
79.01765	0.8
81.03333	1.1
85.02808	1.8
89.02304	0.8
95.01247	1.7
97.02821	1.6
107.01239	0.7
108.02046	62.7
109.02846	17.5
119.01268	1.1
119.03325	0.9
119.04919	0.8
121.02816	2.8
123.00792	1.3
123.04430	0.9
125.02327	2.1
135.00786	0.7
135.04369	0.8
147.04417	1.0
149.02332	17.5
150.03189	0.8
151.00261	1.9
152.01053	76.2
153.01839	29.5
154.02170	0.8
163.03880	1.8
164.04723	10.9
165.01817	1.1
165.05373	0.7
167.03363	1.2
175.00298	8.3
176.01082	6.2
177.01826	1.2
179.06992	0.9
190.02628	20.4
191.03424	12.7
205.04990	14.9
206.05307	0.9
209.04460	2.1
223.06088	6.4
233.04567	0.8
234.29704	0.6
258.04825	0.6
284.03329	0.7
297.06158	4.0
315.07242	3.1
338.06503	1.0
341.13724	0.8
353.08746	11.8
354.09143	0.7
361.58713	0.8
367.10474	1.0
399.81815	0.6
521.12970	100.0
522.13269	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	521.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11400	0.5
56.07978	0.5
59.01256	0.6
69.03332	2.1
71.01274	0.7
73.38067	0.5
78.20374	0.5
81.03322	0.8
81.44672	0.4
89.02283	0.6
93.28745	0.5
95.01255	0.6
95.97940	0.4
97.02820	0.6
108.02050	49.4
109.02852	16.5
113.02317	0.7
119.01265	0.8
121.02843	3.0
123.00796	1.3
125.02348	1.8
135.04451	0.6
144.77292	0.5
147.00734	0.6
147.04417	0.7
149.02347	14.1
149.52193	0.5
150.02875	0.7
151.00320	1.7
152.01053	68.2
153.01846	27.3
154.02177	1.0
163.03899	1.4
164.04706	10.2
165.05383	0.6
167.03430	1.5
175.00275	6.4
176.01062	5.8
177.01790	1.1
179.07018	1.3
190.02631	17.7
191.03409	10.0
205.05008	12.2
206.05363	0.8
209.04520	2.1
223.06078	7.9
244.94415	0.5
297.06128	4.8
304.36264	0.5
315.07288	2.1
338.06342	0.8
353.08710	10.4
367.10501	1.1
399.27393	0.6
477.14188	0.7
521.12982	100.0
522.13312	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	521.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.1
59.01240	5.0
63.23457	0.7
68.99684	3.2
69.03323	1.0
69.33612	3.0
69.34042	4.2
71.01254	4.2
74.67680	0.7
75.00752	1.5
85.02814	3.2
89.02303	0.8
93.03325	2.7
96.95872	1.0
97.02823	1.3
101.02323	0.9
108.02048	21.8
109.02833	63.7
110.03167	2.7
113.02312	2.8
119.04873	0.8
121.02822	3.8
122.03608	1.3
123.00763	2.2
123.04445	3.7
125.02320	2.5
133.02797	1.4
135.04398	1.8
137.02307	2.2
147.04378	2.1
149.02344	12.3
149.73767	0.8
150.03085	3.3
151.00227	1.6
151.03885	6.9
152.01053	23.8
153.01840	62.2
154.02136	2.2
158.03629	1.4
159.04419	3.1
160.05199	8.0
161.05957	2.8
163.03922	3.5
164.04700	9.1
173.04434	2.2
173.05844	1.2
175.00288	1.6
175.02553	1.0
175.03947	2.4
175.07558	8.2
176.00960	1.3
177.01802	1.8
177.05539	2.2
178.06276	1.6
179.03293	1.3
190.02640	3.8
191.03429	2.5
191.05571	2.1
193.04932	1.2
193.08589	0.9
205.04944	2.2
208.03563	1.0
223.05995	3.5
225.69536	0.7
243.02966	1.0
269.08160	1.0
271.02481	1.1
284.03375	1.0
285.04123	1.8
286.04590	0.9
297.06256	6.1
299.09421	1.2
301.31323	0.7
314.11685	2.3
315.07211	100.0
316.07483	7.1
329.13943	36.3
330.14267	3.1
339.59061	0.8
340.04434	1.0
340.17007	0.8
341.09830	1.3
341.13947	2.1
342.06253	0.9
353.08679	1.4
359.14828	1.4
388.54352	0.8
447.09332	1.3
463.07983	1.0
521.12891	17.5
521.20032	0.6
522.13385	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	521.0927
Annotation	Quercetagetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03323	1.3
59.01244	6.1
63.02260	1.5
65.00187	9.8
67.01755	1.6
67.73500	0.7
68.99693	1.5
69.03316	2.1
69.29079	2.6
69.29496	5.2
71.01251	3.2
72.99182	0.9
73.12971	0.7
75.00744	1.0
75.26154	0.8
78.95837	0.9
81.03344	1.5
83.01259	8.2
85.02827	2.9
87.00752	0.9
89.02301	1.2
91.00333	0.7
91.01759	1.8
93.03335	2.7
95.01259	4.8
97.02823	1.9
99.00718	0.9
101.02329	1.4
107.01268	17.4
108.02052	24.7
109.02831	73.2
110.03155	1.4
111.00771	5.5
113.02309	2.3
117.03242	1.0
119.01242	1.6
119.04961	1.2
121.02822	3.2
123.00773	4.8
123.04420	1.4
124.01549	2.1
125.02343	12.5
131.01263	2.6
133.02866	6.0
134.03679	0.8
135.00742	6.5
135.04356	3.7
136.01544	1.3
136.98653	1.0
137.02335	8.8
139.00243	9.5
139.03876	1.1
141.01781	1.3
147.04430	1.4
149.01364	0.9
149.02342	9.2
150.03035	1.4
151.00266	62.1
151.03873	2.6
152.01056	41.6
153.01833	100.0
154.02180	2.9
159.04422	1.7
161.02330	2.7
161.04515	0.9
161.05965	1.2
163.00272	33.2
163.03909	3.2
164.01070	4.6
164.04675	5.5
164.98175	1.1
165.01852	8.1
166.99760	1.6
167.03444	2.4
168.00452	1.6
169.01347	4.3
169.02599	0.7
173.04474	1.0
175.00250	13.0
175.03915	2.5
176.00993	3.3
177.01842	10.9
178.99777	13.8
179.03419	2.1
180.00345	1.2
181.01335	14.0
183.04424	0.9
187.03992	1.7
189.01753	1.0
189.05498	1.5
190.02638	10.4
190.99805	10.3
191.03406	5.9
191.05452	1.2
192.00539	3.2
193.01395	5.0
193.04971	1.1
195.02953	1.1
199.03896	3.5
201.01860	3.0
201.05602	1.5
202.02417	1.3
203.03421	5.3
205.01349	2.3
205.04980	8.8
206.99280	20.4
207.02679	0.8
207.99980	1.6
209.04547	1.4
211.03932	1.7
214.02563	1.0
215.03368	2.1
216.00471	0.9
217.01457	1.0
217.05000	1.9
219.02881	2.2
223.05975	3.9
225.14955	1.2
227.03479	5.8
228.04031	1.0
229.01326	1.7
229.04991	3.1
230.02054	1.4
231.02945	5.6
242.02063	1.8
243.02956	3.7
244.03645	1.1
245.04570	4.5
249.00424	0.9
254.02069	1.1
255.02972	7.1
256.03571	1.3
257.04608	1.1
270.01431	1.0
271.02469	7.7
272.03177	2.8
273.04047	11.2
281.00934	0.9
284.03262	11.4
285.03912	4.5
288.02686	0.9
289.03528	1.2
297.06183	3.3
297.09372	1.0
298.01053	1.6
299.01987	12.9
299.05313	1.5
300.02509	1.4
301.03488	1.7
315.07233	2.0
316.02167	9.6
317.02988	66.2
318.03418	4.5
343.11838	1.9
353.08728	2.3
355.06528	2.2
358.13626	1.1
359.14355	0.9
383.06137	5.5
385.07700	5.5
397.07663	2.7
411.05673	12.0
412.06570	4.9
477.10233	2.7
479.08365	1.4
493.09900	2.7
503.08322	3.6
521.09479	31.1
522.09906	3.3
522.13971	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96298	0.4
56.52364	0.4
57.53072	0.3
59.01223	1.0
62.96306	0.4
71.57168	0.3
71.57613	0.3
78.95767	46.7
96.96835	6.9
108.14700	0.4
121.02872	0.8
135.04364	0.4
150.97850	2.1
152.99475	100.0
153.99805	1.5
171.00539	3.6
279.23282	1.0
314.07257	0.4
323.55444	0.4
433.23553	22.8
434.23880	2.5
478.19376	0.4
518.89429	0.4
520.14484	0.5
520.26697	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	520.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23993	1.2
57.03322	1.7
59.01248	13.1
60.44636	1.2
60.47390	1.3
65.00200	2.1
65.99717	1.9
68.99686	2.2
69.25708	4.1
69.26135	9.2
71.01248	12.5
72.99153	1.3
73.02803	2.2
73.52310	1.1
75.00720	1.9
81.84143	1.3
83.01227	2.8
83.04919	1.2
85.02819	6.6
87.00729	2.7
89.02314	3.6
93.03346	4.3
95.01255	2.9
96.95913	1.5
97.02800	1.9
99.00741	1.8
101.02304	4.3
107.01268	2.8
108.02051	18.6
109.02832	42.5
109.03582	2.3
111.00748	2.4
113.02319	5.0
114.77131	1.3
117.03324	1.4
118.02884	1.5
119.04895	2.7
121.02818	6.8
122.03598	1.6
122.05862	1.1
123.00769	5.4
123.04396	4.6
124.01556	2.3
125.02315	6.9
127.03885	1.4
129.01794	1.2
133.02875	3.3
134.02377	3.1
134.03613	2.4
135.00760	1.8
135.02812	1.3
135.04407	3.7
136.01498	1.4
136.27411	1.2
137.02330	9.6
139.00204	1.9
139.03888	1.8
147.00793	1.9
147.04431	2.7
148.01572	11.0
148.03903	1.4
149.02354	13.7
149.05984	1.4
150.03162	9.8
151.00267	10.4
151.03917	5.7
152.01071	24.8
153.01836	40.4
158.02271	1.5
158.03638	2.9
159.04393	7.8
160.00331	1.7
160.01555	3.9
160.03941	2.2
160.05188	21.0
161.02312	4.3
161.04523	2.4
161.05972	7.1
162.01851	8.8
163.00247	4.5
163.02664	2.1
163.03853	7.4
164.01016	1.6
164.03410	5.0
164.04703	7.4
165.01833	1.1
165.05479	1.9
166.99707	1.7
167.03372	3.4
173.02034	1.4
173.04562	2.9
173.05956	2.7
175.00243	3.7
175.03917	8.5
175.07521	20.9
176.01033	2.9
177.01840	19.1
177.05469	5.1
178.06276	4.1
178.99800	5.6
179.03374	3.7
180.00403	1.4
183.04437	1.7
184.47269	1.2
186.01868	5.1
187.03940	2.5
190.01279	2.7
190.02756	2.1
191.01892	1.4
191.03409	4.7
191.05531	23.0
192.00449	1.4
192.05901	6.4
193.01320	3.0
193.05026	3.6
193.08553	2.8
199.03976	2.4
202.99771	4.3
203.03491	2.1
204.02916	16.4
205.01332	1.6
214.01147	1.4
215.03452	2.6
217.04985	1.9
221.00711	1.3
223.05997	2.9
227.03488	3.6
230.00951	7.2
231.03116	1.5
232.03778	1.4
233.04453	1.4
241.05002	1.3
242.02094	1.8
243.02937	5.0
245.04544	2.4
255.03027	3.4
259.02463	1.6
268.02591	2.1
269.00931	4.5
270.01535	2.7
270.85605	1.3
271.02472	14.8
272.03137	5.4
273.04132	1.9
283.02679	1.4
284.03085	3.2
285.03848	5.6
286.03989	4.4
287.02200	2.8
289.76193	1.3
294.04047	2.8
297.06174	4.5
299.01962	21.7
299.08890	1.6
300.02521	6.6
301.03299	3.8
310.03619	1.9
311.07715	2.6
312.01666	1.4
313.03510	6.0
314.11249	1.6
315.07236	66.5
316.02200	6.8
316.05374	1.6
317.02957	7.7
318.03278	1.4
322.03552	8.5
329.13907	100.0
339.03696	10.1
340.00922	9.8
340.04626	19.1
341.05084	2.4
341.10217	1.4
343.06543	1.8
353.08936	1.4
353.22586	1.3
355.06683	6.1
357.04675	7.7
358.05652	5.9
359.14917	4.2
384.09305	15.0
385.09698	1.6
410.07333	12.4
435.09216	2.7
461.07312	1.5
462.07889	2.0
475.08789	1.5
476.08957	1.4
479.08130	8.3
480.08591	1.6
502.09744	18.0
520.10938	49.5
521.12408	15.1
521.20337	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	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.5
57.03323	1.8
59.01249	100.0
60.01591	1.3
69.03312	0.6
70.98785	1.3
71.01254	9.1
72.99180	1.0
73.02821	2.8
75.00730	2.3
83.01271	1.1
83.04917	0.5
85.02816	6.0
87.00778	1.5
87.04388	3.2
89.02321	3.1
89.11371	0.5
93.03325	1.0
95.01273	1.5
99.00747	2.8
101.02311	5.0
101.02804	0.4
104.66726	0.5
105.03212	0.5
107.04932	1.0
108.02058	1.3
109.02825	1.3
111.00790	0.6
113.02329	8.8
119.03389	1.2
119.04874	0.6
121.02856	1.2
125.02362	1.1
125.20891	0.5
125.21848	0.5
129.01823	1.2
131.03401	0.5
134.03592	0.9
135.04442	1.6
137.02365	0.9
138.11339	0.5
143.03384	0.8
147.04375	0.6
149.02344	1.3
151.00267	1.1
151.03920	1.2
152.01123	1.1
152.07056	4.1
153.01852	2.2
155.03456	0.5
160.01663	0.7
161.02328	2.4
161.04465	3.1
163.03899	0.7
163.06032	0.6
165.05598	0.6
173.04520	1.1
175.00336	0.9
175.03937	1.0
177.01965	0.5
179.03453	1.0
179.05609	0.5
183.10167	0.6
190.02716	1.1
191.05591	0.7
193.04982	0.7
205.05069	1.0
205.07014	0.8
215.03728	0.6
223.06100	1.4
249.06058	3.8
265.07202	0.7
267.07297	2.1
269.01425	0.5
269.17694	0.9
285.04074	4.3
300.06302	3.2
301.06619	0.5
309.08289	0.7
315.08646	5.3
317.97159	0.5
357.26437	1.0
371.24435	0.7
399.23752	10.6
400.24313	1.1
417.24823	2.9
459.25735	3.0
460.26141	0.5
503.27991	0.5
519.24506	9.1
519.31976	3.8
520.25000	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.5
57.03354	0.5
57.68870	0.5
58.00447	0.5
58.90797	0.5
59.01249	100.0
60.01580	0.7
60.93051	0.5
64.74599	0.5
69.03343	0.6
70.56818	0.4
71.01250	7.6
71.95977	0.5
73.02806	2.4
83.01250	1.1
85.02817	2.7
87.04403	0.9
89.02310	3.8
95.01279	0.9
97.39592	0.5
99.00780	0.9
101.02320	6.4
113.02346	3.8
119.03402	1.7
134.03670	0.8
136.05203	0.6
161.04491	2.4
180.04248	1.0
225.00439	0.6
232.06444	0.5
251.20154	0.6
255.19728	0.9
295.70490	0.5
297.20862	0.6
357.26593	1.5
399.23868	8.1
400.24463	0.7
417.24915	9.3
459.26071	1.9
517.91382	0.5
519.24670	1.0
519.31317	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	1.1
59.01248	38.5
60.01558	0.7
61.98684	1.5
69.03326	2.3
71.00886	0.9
71.01250	9.8
71.04888	0.6
72.99161	0.9
73.02796	2.4
74.70193	0.5
75.00735	0.9
83.01274	1.2
85.02825	4.3
85.06400	0.6
87.00748	1.5
89.02301	4.5
93.03326	0.8
95.01226	1.1
96.95894	0.6
97.02811	0.8
99.00722	1.3
101.02310	6.6
103.81916	0.6
108.02023	1.0
109.02827	1.0
109.06514	0.6
113.02337	4.5
119.03378	1.6
123.04366	0.8
125.02333	1.6
127.22884	0.5
129.01793	0.6
133.02802	0.8
135.00760	0.7
135.02902	1.1
135.04388	0.9
136.61333	0.6
137.02348	1.5
139.07306	0.6
143.03381	0.9
149.04506	0.6
151.00290	0.9
151.03923	0.7
152.01039	0.8
161.04468	2.3
163.03792	0.8
167.03374	0.9
167.10710	2.5
179.05574	1.0
179.10703	1.3
179.14336	3.3
191.05496	1.0
195.13829	10.5
205.12271	8.3
206.12782	0.7
209.04523	0.7
223.13330	100.0
224.13702	5.0
235.08147	0.9
253.09254	15.9
254.09700	1.3
285.04037	2.3
315.25424	0.9
319.16675	0.7
371.24527	0.8
371.49612	0.5
399.23746	0.7
432.16632	0.6
447.09338	0.7
459.22336	8.3
459.29550	2.9
460.22641	0.7
477.30576	2.2
515.08844	0.6
519.19958	0.7
519.31891	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	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	3.3
59.01250	60.9
69.03314	1.6
71.01250	20.9
71.58337	1.9
71.58728	1.9
72.99156	4.4
73.02818	17.2
75.00723	4.8
78.95765	1.6
83.01218	6.3
85.02827	13.3
87.00726	6.0
88.92422	1.4
89.02320	12.8
93.03323	3.2
95.01237	2.1
99.00715	3.9
101.01775	1.7
101.02310	17.7
107.01217	2.3
107.04874	3.0
108.02019	3.3
109.02783	3.5
111.00700	2.2
113.01719	1.5
113.02312	14.8
119.03347	3.0
119.04852	3.2
121.02837	3.3
122.58183	1.8
123.04415	1.7
125.02322	3.7
129.01784	5.0
134.03580	3.6
135.04346	4.9
136.01492	4.5
137.02260	2.8
149.02272	6.4
150.03041	2.0
151.00206	3.5
151.03899	11.2
152.00967	3.5
153.67964	1.9
155.03340	2.1
160.01549	1.9
161.02322	2.4
161.04395	5.4
161.05771	2.3
163.03888	3.2
164.04648	2.5
167.03404	2.0
169.01184	1.8
173.04366	3.7
175.00323	8.4
175.03836	3.2
176.00984	3.9
179.05455	2.3
190.02625	20.8
191.03336	5.4
191.05441	5.8
193.04936	3.5
199.03830	4.2
200.72159	1.6
205.05042	17.2
205.06866	2.7
215.03323	2.6
221.06384	1.5
223.05977	5.6
225.05049	1.8
226.02489	2.0
227.03355	5.3
241.04927	6.8
243.02914	13.0
249.06061	4.7
255.02992	17.6
255.15889	5.3
256.03299	2.6
256.07367	3.7
267.07101	4.1
271.02457	96.5
271.09683	9.7
272.02856	8.3
285.03897	2.9
299.01941	100.0
300.02682	96.8
300.05878	2.5
301.03101	8.1
309.07620	2.6
313.10718	9.7
314.04263	20.6
314.10910	1.8
315.05084	75.1
316.05209	5.2
339.12299	2.5
353.08530	4.6
357.13354	3.7
367.10065	7.0
415.23093	6.0
433.23993	2.1
475.16083	2.0
519.11145	78.9
519.24445	13.0
519.31848	2.4
520.11792	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	519.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40518	1.8
58.81259	1.6
59.01250	21.2
60.76717	1.5
69.57339	4.8
69.57766	8.6
71.01246	17.2
72.99204	2.7
85.02829	7.2
89.02309	11.4
93.03317	1.9
93.89771	2.0
95.01247	2.1
98.19851	3.9
101.02329	7.3
102.47469	1.6
113.02319	4.6
116.03385	1.6
119.01293	5.0
119.03388	5.1
121.02821	3.9
135.04388	2.5
137.82436	1.8
138.03069	2.0
139.28311	2.0
147.00772	3.6
149.02356	26.7
149.80626	1.7
151.04010	1.6
151.06020	6.1
164.04697	25.1
165.01877	2.6
175.00296	33.3
179.05626	4.1
179.07010	4.1
190.02646	68.1
191.03012	2.7
195.02997	2.0
205.05003	100.0
206.05400	5.8
223.06068	91.6
224.06422	3.6
265.07080	1.7
308.61481	1.7
313.11462	7.8
371.52313	1.8
519.17377	18.8
520.17853	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15023	0.7
55.01756	1.6
57.03314	0.8
58.00449	2.5
59.01249	79.8
59.38414	0.8
60.33231	0.7
69.03326	6.1
69.43073	6.9
71.01252	45.2
72.01590	1.0
72.99174	5.0
73.02436	1.3
73.02815	18.4
75.00735	2.1
81.03319	4.1
83.01241	5.0
85.02818	19.6
87.00755	5.3
89.02309	25.3
91.01765	11.7
93.03334	13.7
95.01256	2.3
97.02824	8.3
98.19765	0.9
99.00740	2.7
99.04419	0.9
101.02318	32.8
103.03887	24.3
107.04874	1.3
108.02044	1.9
109.02801	1.1
111.00799	1.3
113.02309	4.4
115.00253	4.1
115.03886	1.3
119.01281	6.0
119.02579	1.1
119.03390	14.2
119.04820	1.8
121.02834	13.1
123.04377	1.3
125.02338	31.6
126.02681	0.8
127.03891	3.2
129.01814	1.3
131.03404	1.3
133.02768	0.9
135.04398	2.3
136.01553	1.6
137.02330	11.3
138.03067	2.6
142.61020	0.7
142.80074	0.9
143.03360	3.3
145.04970	5.2
149.02347	1.6
151.03909	100.0
152.01003	0.9
152.04240	3.3
153.05446	2.6
157.01334	0.8
161.02286	1.4
163.03862	1.7
163.06027	26.0
165.05388	1.5
173.04488	3.2
174.05525	1.2
175.02383	5.7
175.03799	1.1
179.03381	1.9
185.00877	1.4
187.03883	0.7
191.01797	1.1
191.05537	12.0
203.05780	0.9
205.07170	1.2
247.08153	9.6
289.09073	1.1
307.10352	17.4
339.12329	2.0
343.12808	2.2
356.04465	0.8
357.09702	1.1
403.15018	2.2
406.72211	0.9
427.12360	4.8
501.99911	1.0
519.10834	1.0
519.24652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82324	0.5
55.01745	1.2
57.03302	2.4
58.00439	1.7
59.01252	56.5
60.01574	0.8
65.00195	3.4
69.03307	0.9
69.35037	4.6
71.01254	26.2
72.99165	2.5
73.02492	0.5
73.02820	4.9
75.00747	1.5
83.01266	5.5
83.04889	0.6
85.02830	9.6
87.00734	2.6
89.02316	14.9
89.03821	0.7
93.03316	1.0
95.01251	2.1
97.02816	1.3
99.00729	2.5
101.01694	0.9
101.02328	17.7
107.01276	3.6
108.02024	1.7
109.02836	1.1
111.00765	1.7
113.02319	10.4
119.03387	7.4
121.02826	1.0
122.58065	0.6
123.00765	1.7
123.04408	1.2
125.02304	2.1
127.11081	0.6
129.05405	1.0
129.43060	0.6
131.03398	1.3
133.02821	1.0
134.03578	1.6
135.00772	1.1
135.04395	2.3
136.01553	0.8
137.02324	1.3
143.03349	2.4
149.02396	3.7
149.04349	0.7
149.99510	1.0
151.00278	13.2
151.01476	0.8
151.03928	3.4
152.01006	2.0
153.01785	1.4
157.06514	0.6
161.02345	10.2
161.04408	4.5
165.12656	0.7
167.03387	0.7
168.00586	0.6
169.01385	0.7
169.06419	0.8
173.04449	0.7
175.03934	1.4
179.05464	1.9
183.13803	1.1
185.05939	0.7
187.03853	1.0
189.05504	3.6
190.02544	0.9
193.05067	0.6
195.04428	0.9
199.13344	0.9
201.05450	1.0
205.04936	1.1
208.64308	0.6
210.99239	0.9
211.03879	1.2
213.05530	5.7
214.02603	0.7
215.03407	1.2
223.04065	1.1
227.03485	0.7
229.04971	2.3
237.50291	0.6
239.03459	3.0
240.04256	0.8
241.05112	1.5
243.02953	1.2
249.05939	1.0
255.03020	0.9
256.03595	1.3
257.04541	5.1
258.04855	0.8
267.02948	4.0
267.07266	0.9
268.03741	1.1
269.04608	1.0
270.01685	1.5
271.06400	0.7
282.05402	1.3
284.03323	3.4
284.06058	0.7
285.04044	73.1
286.04379	5.6
287.05621	0.9
299.02292	1.0
299.05563	3.5
300.06381	61.3
301.06845	4.4
315.08743	100.0
316.09076	8.6
339.25427	1.2
357.09622	1.0
357.26416	12.3
371.24219	1.1
375.27515	0.7
399.23956	1.5
417.24927	2.6
459.12946	5.6
459.30130	1.2
477.23560	0.9
477.30511	0.7
518.30347	1.0
519.15381	4.4
519.24841	2.3
519.31781	36.2
520.32178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.114
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.84296	0.3
59.01255	1.8
63.02259	0.5
65.00204	0.7
71.01234	0.9
83.01235	0.7
85.02822	1.2
87.00713	0.4
91.72694	0.4
93.03351	0.4
96.91363	0.3
99.00739	0.5
101.02336	0.6
107.01261	1.4
108.02057	1.3
109.02832	0.6
111.00736	0.6
113.02363	0.5
124.01547	0.5
124.57240	0.4
125.02362	0.6
133.02846	0.7
135.00783	0.5
143.04596	0.3
145.02899	0.4
147.00789	0.6
148.01563	1.4
151.00284	3.4
152.01064	0.5
160.01579	0.4
163.00256	0.8
164.00990	0.9
171.04417	1.5
175.03894	0.8
187.03943	0.9
191.05566	0.6
192.00560	0.5
199.03972	4.3
201.01854	1.3
203.03403	0.8
209.08141	1.0
210.08553	0.6
211.03815	0.6
215.03467	1.9
216.04134	0.4
226.02594	1.6
227.03474	6.2
228.03943	0.6
242.02176	0.8
243.02960	11.9
244.03609	0.9
254.02199	1.8
255.02953	21.1
256.03305	1.7
257.04388	0.4
270.01642	0.6
271.02463	92.7
272.02863	9.1
284.03351	0.6
285.03989	1.2
289.67288	0.4
298.04944	0.4
299.01944	99.0
300.02701	100.0
301.03052	7.2
314.04300	16.6
314.07370	0.4
315.05081	73.8
316.05429	5.6
339.12244	0.4
342.03241	0.4
357.05975	0.7
357.26550	0.4
387.47083	0.4
459.09006	0.6
519.11420	58.2
520.11725	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	519.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.1
57.03314	2.4
58.00444	1.8
59.01248	66.2
60.01575	1.0
62.50943	0.7
65.00188	2.5
65.20956	0.8
69.03315	1.6
71.01250	27.8
71.04887	1.0
71.07938	1.8
72.99169	2.8
73.02819	5.9
81.03335	0.8
83.01248	4.2
85.02821	11.2
87.00746	2.4
89.02306	15.8
93.03343	1.6
95.01272	2.6
97.02830	1.3
99.00737	2.6
101.02322	19.3
107.01296	3.8
108.02052	1.4
109.02821	1.7
111.00767	1.6
113.02317	12.9
113.24995	0.7
115.78328	0.8
119.03378	8.8
123.00739	1.8
124.01511	1.4
125.02332	2.4
134.03601	1.4
135.00755	1.2
135.04405	3.2
137.02348	1.9
143.03355	2.0
149.02376	3.1
149.99481	1.2
151.00273	11.4
151.03920	3.2
152.01030	1.0
153.01822	1.2
159.02933	1.1
161.02328	11.4
161.04384	4.2
163.03844	1.4
168.00560	1.0
169.01317	1.1
171.95988	0.7
173.04489	1.9
175.00284	0.8
179.05557	1.9
183.13780	1.1
185.05977	1.0
189.05508	3.7
191.05621	1.2
193.21309	0.7
201.05565	1.0
205.05006	1.0
210.99129	1.1
211.03941	1.1
211.38850	0.8
213.05487	4.8
215.03462	1.3
223.03986	0.9
224.68921	0.7
227.13106	0.9
229.05013	2.1
239.03452	2.2
240.03831	1.0
241.04976	1.6
256.03452	0.9
257.04538	7.6
267.03027	4.4
267.06470	1.0
270.01672	1.8
282.05295	1.5
283.06168	0.8
284.03284	4.3
285.04031	73.7
286.04349	5.7
297.07718	1.1
299.05615	2.6
300.06372	60.7
301.06735	3.8
309.12061	2.0
315.08725	100.0
316.09039	6.6
339.25500	1.6
347.19424	0.7
357.26428	11.0
371.24258	1.3
399.23898	2.6
417.24838	3.4
459.12875	4.9
459.30096	1.2
519.15344	5.6
519.24561	3.2
519.31726	35.7
520.15369	1.2
520.32233	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45274	0.4
54.44668	0.3
55.01763	0.8
57.03323	1.3
57.32604	0.3
58.00464	0.9
59.01252	100.0
60.01585	0.7
68.99677	0.4
69.03322	0.9
71.01254	18.0
72.99185	1.3
73.02821	21.2
74.03148	0.5
75.00767	0.4
78.49837	0.3
83.01260	6.6
85.02824	4.0
87.00772	1.5
89.02315	6.2
93.03334	0.7
95.01266	1.6
97.02847	1.0
99.00776	0.7
101.02325	26.3
102.02708	0.6
111.00805	0.4
113.02341	8.4
113.03153	0.4
115.00317	0.4
117.03387	0.4
119.03391	5.1
121.02850	1.0
125.02357	1.9
131.03404	2.1
134.03661	0.4
140.69200	0.4
143.03427	3.3
145.02878	1.0
149.02400	0.7
149.04453	4.4
155.03377	0.6
160.01579	0.5
161.02399	0.5
161.04460	9.5
162.04820	0.3
163.03914	0.6
163.34135	0.4
164.04735	0.5
165.12784	0.4
174.10738	0.4
175.00316	1.3
175.02603	0.7
175.03996	0.7
179.05554	2.0
190.02670	3.7
196.74489	0.4
203.05556	1.1
205.05017	3.2
209.06058	1.3
216.09923	0.4
221.06500	1.9
223.06041	2.1
224.17877	0.3
285.04138	1.3
289.07343	0.9
373.26160	0.4
379.21359	0.9
397.22327	1.1
415.23593	0.8
447.09491	0.7
457.24365	0.9
517.17816	1.6
517.29858	2.0
518.18243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91056	1.3
59.01250	100.0
60.97176	1.6
70.24000	1.4
71.01369	3.0
92.78284	1.4
111.94600	1.5
114.39352	1.4
116.76740	1.5
149.68848	1.5
164.83206	1.4
166.54021	1.6
217.65036	1.4
324.23117	1.8
432.82010	2.0
443.31662	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	517.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
64.57403	1.1
106.46003	1.1
138.13492	1.1
162.59677	1.0
166.56023	1.3
178.43562	1.0
190.96854	1.1
205.15953	1.2
252.48943	1.0
259.09720	1.1
457.36923	4.9
530.38251	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.5
59.03570	0.3
62.96264	0.4
66.35006	0.3
71.13286	0.5
78.95771	44.1
80.83447	0.3
96.96836	5.7
150.97931	1.8
152.99480	100.0
153.99812	1.1
163.07587	0.3
171.00549	3.6
191.71991	0.3
247.96613	0.3
277.21747	0.7
350.62555	0.3
368.35519	0.3
431.21967	20.6
432.22299	2.2
518.25305	2.8
519.26251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.1
59.01252	31.3
63.02254	1.3
65.00190	1.3
67.01756	0.6
71.01256	4.5
71.58698	0.6
72.99181	0.8
73.02816	1.6
75.00757	0.8
82.98331	0.6
83.01254	2.0
85.02812	3.5
85.03255	0.7
87.00733	1.1
89.02313	1.6
93.03339	2.8
95.01244	0.9
96.99059	0.5
101.02322	1.6
105.03368	0.8
107.01283	3.1
108.02062	1.6
109.02829	2.6
109.99930	0.6
111.00756	1.2
113.02324	1.8
119.03383	0.8
119.04948	1.2
121.02859	2.0
123.00751	1.5
123.04427	0.9
125.02342	1.5
129.01802	1.1
133.02824	4.1
134.03629	1.3
135.04417	1.3
137.02333	1.3
139.00261	1.0
147.04449	0.9
148.01602	0.6
149.02325	3.1
150.03174	0.9
151.00275	6.5
151.03880	0.8
152.01077	2.9
153.01877	1.5
159.04388	0.8
161.02364	1.4
161.04480	0.8
163.00241	0.7
163.03941	1.3
167.03320	0.7
169.01274	0.7
171.04411	0.7
173.04451	4.7
173.05730	0.8
174.03154	0.8
175.00371	0.8
175.02475	0.5
175.03909	2.2
177.01732	1.2
178.99776	2.1
179.03470	0.9
183.04445	0.8
187.03894	1.4
189.01985	0.7
191.05542	11.6
193.01543	1.1
195.06628	0.6
197.09619	1.4
199.03897	1.7
201.01813	0.9
202.02646	1.1
203.03441	0.9
211.04036	0.8
213.01799	0.6
213.05484	0.7
214.02698	0.7
215.03426	1.5
216.38477	0.6
217.05054	0.6
227.03430	1.5
229.01422	0.7
231.03020	0.8
237.07555	0.8
241.01524	0.8
241.04993	1.3
242.02156	1.5
243.02945	1.6
252.19760	0.6
255.02951	1.5
256.03854	2.7
257.04507	1.3
258.01721	1.4
259.02432	0.8
269.00922	1.1
271.02518	2.5
272.03009	0.8
283.02521	1.0
284.03256	46.6
285.04022	100.0
286.01199	1.9
286.04364	7.0
287.02008	3.0
297.00406	2.6
299.01917	1.5
300.02676	0.9
301.03415	1.1
301.10803	1.8
314.00723	1.8
315.01486	6.7
315.04858	1.1
317.02893	0.8
327.05011	1.1
345.09729	0.6
357.02673	0.7
417.25034	1.0
447.09296	81.5
448.09613	8.2
459.26367	0.8
474.47882	0.6
475.08704	3.5
491.08200	1.8
518.19269	0.7
519.07410	5.0
520.08624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
59.01252	100.0
60.01583	1.1
68.99680	0.4
69.03334	0.3
71.01255	2.0
71.59688	0.2
72.99198	0.3
73.02814	0.7
75.00762	0.4
83.01257	0.2
85.02817	1.1
87.00774	0.3
89.02329	0.7
98.03142	0.2
99.00758	1.4
99.04392	0.3
101.02326	1.3
108.74635	0.1
109.02878	0.2
113.02332	1.0
119.04907	0.2
121.02871	0.3
125.02368	0.3
134.03606	0.3
135.04428	0.4
143.03391	0.2
149.02371	0.3
160.01639	0.2
161.04468	0.9
163.03912	0.2
165.65524	0.1
172.70442	0.2
175.02420	0.5
179.17258	0.2
182.24081	0.2
191.05524	0.2
193.05098	0.2
207.25967	0.2
223.06151	0.4
243.06509	0.2
269.04651	0.2
285.04077	0.4
385.51688	0.2
415.23511	0.6
417.25122	0.4
457.24307	0.2
517.31134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.7
59.01246	100.0
67.01740	1.9
69.03329	3.0
69.68212	12.8
71.01247	28.0
72.99194	4.4
73.02820	6.0
75.00735	7.3
83.01263	5.1
83.35486	2.1
85.02816	28.5
87.00750	8.8
89.02321	11.1
91.09428	1.9
91.29739	1.9
93.03355	8.9
95.01260	4.9
99.00754	8.2
99.04382	3.4
101.02330	13.4
107.04920	2.3
108.02082	3.1
109.02847	2.4
111.00781	4.0
113.02337	23.0
117.01773	2.5
119.03368	3.1
119.04903	2.4
121.02807	2.1
123.00746	2.2
125.02369	3.5
129.01826	12.3
132.02074	3.3
133.02806	3.6
134.03621	9.2
135.04428	11.3
137.02348	4.3
146.03586	4.4
149.02342	6.6
152.01045	2.8
153.01804	2.3
160.01582	13.0
161.02330	6.0
161.04547	3.6
161.05933	2.7
163.03868	2.8
164.04707	6.1
170.78766	2.2
173.04480	6.2
173.34982	1.9
175.03900	19.7
179.03383	8.2
179.07047	6.5
187.07484	4.7
190.02734	3.9
191.05516	16.1
193.04942	8.6
198.17760	2.2
202.06248	3.7
205.03482	5.5
223.06258	2.3
223.13493	2.7
231.10184	4.4
249.06154	12.2
265.07172	2.6
266.07199	2.5
267.07208	20.1
267.11658	2.2
275.09299	2.4
284.03253	2.8
285.03995	5.6
299.05637	3.4
309.07974	2.5
323.07672	5.6
337.09329	13.8
337.12793	2.1
342.03760	2.3
355.11792	4.0
370.59396	2.1
371.00827	2.2
459.14648	2.2
473.20074	6.3
517.09717	4.7
517.22034	16.6
517.69769	2.7
518.22198	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	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00564	0.3
52.00135	0.3
52.37831	0.2
57.03321	0.4
59.01248	100.0
60.01575	1.3
69.03326	0.4
69.30143	2.3
71.01249	5.5
72.99198	0.4
73.02813	4.4
75.00731	0.6
79.71745	0.2
83.01263	1.4
85.02821	1.8
87.00761	0.8
87.04370	0.3
89.02306	1.9
93.03359	0.6
95.01283	0.6
96.09859	0.3
99.00760	2.2
99.04370	0.3
101.02311	5.2
101.02907	0.4
106.06545	0.2
107.04903	0.2
108.02129	0.3
109.02867	0.7
113.02328	3.3
119.03416	0.9
119.04923	2.5
121.02859	0.5
121.06544	0.2
125.02338	0.7
129.01843	0.3
131.03423	0.3
134.03630	0.6
135.04428	1.5
137.02379	0.5
143.03435	0.5
145.02904	0.7
147.04425	0.4
149.02385	0.7
149.04471	0.5
149.09569	0.3
151.00269	0.3
155.03366	0.3
160.01624	0.4
161.02376	0.4
161.04475	1.6
163.03920	2.2
165.02635	0.2
169.17821	0.2
173.04391	1.1
175.03882	0.4
176.01099	0.4
179.03470	1.0
191.03465	0.6
191.05589	1.3
193.05048	0.3
205.05005	0.4
207.13818	0.5
209.04518	0.3
217.05093	0.3
219.10132	0.3
219.13766	0.2
223.06314	0.3
237.14903	0.7
267.07324	0.7
268.03745	0.6
269.04495	0.7
279.41507	0.2
285.04102	0.9
295.19089	0.4
337.20200	0.7
341.08774	0.4
353.09100	0.5
353.52350	0.2
355.11749	0.5
355.24945	0.4
367.10428	0.3
373.25958	0.3
389.43567	0.2
397.22314	0.3
415.23755	0.4
457.24399	0.9
517.12878	0.4
517.30542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74075	0.7
57.03322	4.1
59.01247	32.2
67.01740	0.7
68.99700	0.9
69.03323	0.7
69.31294	2.8
69.31714	5.0
70.60806	0.7
71.01250	23.3
72.99185	4.3
73.02818	1.7
75.00740	12.4
83.01248	1.8
83.04904	1.1
85.02820	27.1
87.00745	10.5
89.02317	8.3
91.03890	1.0
93.03311	1.2
95.01247	6.6
99.00757	8.3
99.04329	0.8
101.02322	2.3
103.00233	3.1
111.00727	1.1
113.02323	32.2
114.02475	0.9
115.00245	2.3
117.01790	2.7
125.02312	0.8
129.01834	4.2
135.04366	1.4
137.02368	1.1
141.04102	1.0
152.01013	1.6
155.49820	0.7
157.01334	1.7
161.09608	3.0
161.13239	2.2
163.11169	1.6
165.02184	0.8
173.04405	1.1
175.02415	1.7
187.07527	1.0
187.11137	3.3
189.09026	1.1
191.05547	2.3
205.03366	0.9
205.07088	0.8
205.12289	2.3
205.98247	0.7
207.05031	1.9
207.10066	1.4
208.00069	8.5
209.00836	1.0
223.13280	1.7
249.06139	17.2
267.07184	67.5
268.07458	3.4
285.03964	1.1
297.00244	1.0
341.15884	2.1
455.19165	2.1
457.16977	3.3
499.18005	3.1
517.19159	100.0
518.12109	0.8
518.19495	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	517.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.5
59.01249	100.0
67.01740	1.5
68.99660	3.2
69.03306	1.4
71.01251	27.4
71.04876	1.2
71.11726	1.6
72.99185	7.0
73.02814	4.3
75.00358	1.1
75.00742	14.2
83.01234	2.9
83.04871	1.7
84.01987	0.8
85.02821	25.1
85.90601	1.0
87.00751	8.6
89.02311	8.0
93.03327	6.6
95.01243	4.8
96.18029	0.7
97.02789	0.9
99.00756	12.1
101.02326	4.8
103.00230	1.5
108.02030	1.8
109.02790	2.2
111.00748	2.3
111.95705	0.8
113.02325	30.4
115.00196	2.4
117.01781	2.5
119.03314	0.9
119.04852	1.9
121.02769	1.4
129.01842	4.8
131.03285	0.7
131.04903	0.9
133.02838	1.3
134.03522	2.2
135.04433	4.3
135.11595	0.8
136.07260	0.8
137.02347	5.0
139.00252	0.8
139.75958	0.9
143.03293	1.0
147.00694	0.8
147.04395	1.1
149.02304	1.7
149.04395	0.8
149.05894	1.6
157.01236	1.1
160.01555	1.6
161.02278	2.4
161.04410	1.8
163.03891	1.9
164.04634	2.1
173.04399	3.0
173.05779	0.8
175.00206	1.8
175.02321	4.2
175.03818	1.4
179.03313	3.4
187.07521	1.5
187.11113	1.1
190.02626	5.0
191.05539	6.4
205.04924	5.5
205.07039	2.1
205.12270	4.3
207.10138	1.5
208.03342	0.9
223.05968	3.0
223.13335	5.3
231.04967	2.4
246.59196	0.8
247.05981	0.9
249.06126	36.9
250.06340	1.2
256.15707	0.8
263.12778	1.1
267.07199	30.4
267.11774	1.7
268.07312	0.8
268.84741	0.8
269.04361	3.5
285.03897	1.7
285.94614	1.1
291.07129	1.2
309.08212	11.1
323.14621	1.4
337.09137	1.3
341.08640	0.9
341.15799	1.1
367.10226	3.7
392.84076	0.7
400.04089	0.8
455.19257	4.3
473.20309	9.5
474.20938	1.0
499.18280	7.4
517.18896	58.4
518.19287	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	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05025	0.3
53.21134	0.4
55.01759	1.0
57.03324	4.3
58.00480	0.8
59.01249	30.5
62.73112	0.4
67.01758	1.1
68.99690	0.9
69.03318	1.4
69.25394	4.4
71.01252	22.0
72.01558	0.6
72.99171	3.9
73.02813	2.4
75.00744	14.2
81.03330	0.4
83.01247	1.4
83.04903	0.8
84.02043	0.4
85.02822	23.4
87.00217	0.8
87.00744	10.8
89.02320	7.3
91.03883	1.1
93.03358	0.8
95.01260	4.4
97.02849	0.5
98.20499	0.7
99.00153	0.8
99.00754	9.8
101.02350	1.9
103.00227	2.4
107.04939	0.7
109.02847	0.7
111.00778	0.8
112.01559	0.6
113.02325	33.8
114.02666	0.6
115.00269	1.9
117.01817	2.5
119.04909	0.5
121.02776	0.4
125.05972	1.1
129.01826	3.0
131.03397	0.8
133.02847	0.4
135.04393	0.8
139.00337	0.5
143.03419	0.4
149.02315	2.0
149.04430	0.7
153.01819	0.4
157.01309	0.7
159.07999	0.5
161.09613	2.9
161.13251	1.7
163.11183	1.1
173.04480	1.0
175.02417	2.3
177.01880	0.7
179.10689	0.6
187.07619	0.7
187.11221	2.7
189.03951	0.4
189.09140	1.1
191.05505	1.7
205.03395	0.5
205.05167	0.5
205.07062	0.5
205.12274	3.3
207.05034	1.6
207.10194	1.4
223.13361	1.6
231.05040	0.8
231.10289	0.9
249.06105	14.3
250.06459	0.7
267.07193	72.6
268.07516	2.3
269.04572	1.5
273.07837	0.4
275.09192	0.4
311.05594	0.6
329.34262	0.4
341.16043	2.0
355.11850	1.6
455.19281	1.3
457.16934	3.0
473.20242	1.0
487.18478	0.5
499.18362	3.3
500.19153	0.6
517.19214	100.0
518.19470	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	517.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04079	0.3
57.03312	0.6
57.49955	0.4
59.01254	13.7
65.00199	0.4
69.27452	3.2
71.01257	3.6
73.02833	1.6
83.01259	0.4
85.02829	2.3
89.02332	0.8
91.01756	1.9
93.03332	1.8
95.01276	0.5
99.00769	1.4
101.02322	3.2
107.04921	1.2
111.00723	0.3
113.02332	2.1
117.03407	0.3
119.01291	8.2
119.04974	0.5
121.02862	3.0
123.04424	0.6
125.02369	0.4
133.02917	0.6
134.03630	2.0
135.04405	3.0
137.02258	0.3
147.00793	6.0
147.04399	0.6
149.02354	12.5
150.02783	0.6
151.03896	0.5
152.01045	0.7
153.01753	0.4
161.02374	0.7
161.04465	0.9
162.03172	1.0
163.03947	4.0
164.04707	13.2
165.01846	2.6
173.04558	0.3
175.00296	43.3
176.00623	1.9
177.01833	0.5
179.06996	3.6
189.01863	1.2
190.02654	100.0
191.03001	4.2
193.01294	0.6
205.05011	94.1
206.05379	4.1
207.02950	1.4
208.03717	0.6
209.04509	0.6
223.06071	28.4
224.06419	1.1
269.10422	0.4
389.39957	0.3
421.64352	0.4
475.16064	0.6
502.14880	2.8
517.17157	47.5
517.30017	1.5
518.17468	6.0
521.40424	0.4
535.99713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0989
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.83355	0.7
55.01743	0.7
57.03325	1.8
57.06831	0.6
59.01254	10.7
67.01752	1.2
69.03335	1.0
69.76827	4.3
71.01260	4.9
72.99177	2.2
73.02814	2.0
75.00739	1.6
81.03349	1.0
83.01247	1.1
83.04869	0.9
85.02825	10.1
87.00760	2.7
89.02328	2.6
91.01755	3.1
93.03326	6.4
95.01263	1.6
96.95882	6.2
99.00748	1.2
99.04382	0.9
101.02315	3.4
108.02047	0.9
109.02837	3.0
111.00740	1.9
111.04415	2.5
113.02335	3.1
117.03376	0.6
117.05370	1.2
119.03426	0.8
119.04908	5.2
121.02826	2.1
123.04386	4.2
125.02342	0.6
129.01825	3.0
129.05443	0.9
132.02081	1.1
133.02847	14.8
134.03601	1.1
135.00763	6.6
135.04413	13.1
136.04942	0.7
137.02347	6.3
145.02800	2.6
147.04559	0.8
149.02328	1.5
150.03152	0.7
152.01030	1.2
153.01819	6.1
153.05437	0.8
155.03403	2.9
160.03951	13.4
161.02248	2.4
161.04298	10.8
161.08101	1.1
163.03911	7.4
165.01776	0.9
165.05452	0.9
167.03374	2.8
173.04454	14.5
175.03806	1.3
179.03447	4.2
181.04921	1.3
181.08615	4.1
191.01891	1.3
191.05518	12.9
192.05942	0.7
193.06281	0.8
195.06520	0.9
197.04443	1.5
197.05997	0.8
198.03407	0.7
201.05530	1.3
205.03400	0.9
209.02882	0.7
211.04005	1.2
219.02870	0.8
224.04747	1.0
225.05533	1.6
227.03491	0.8
239.86607	0.7
240.04218	2.3
241.04935	0.8
249.06155	1.7
255.10286	1.4
267.07260	2.0
268.03751	17.0
269.04529	100.0
270.04901	6.4
278.90698	0.7
319.08185	2.4
323.07684	2.7
335.07718	3.0
337.09256	2.0
353.08835	3.4
371.09534	2.0
473.10846	39.6
474.11270	3.6
475.18134	1.1
517.11761	4.7
517.19177	3.1
518.13538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78938	1.3
52.72408	1.1
57.03318	3.2
59.01250	22.1
67.56352	1.2
69.03340	2.2
71.01243	7.2
71.25977	1.2
73.02835	1.3
75.00743	2.1
77.03844	3.2
77.27374	1.4
79.01781	2.0
83.01265	3.3
85.02823	15.0
87.00742	4.8
89.02319	4.3
93.03335	9.6
96.95849	1.8
98.19836	3.0
99.00736	1.8
101.02315	4.4
108.02087	1.6
109.02856	2.5
111.00740	1.7
111.04351	1.3
113.02342	6.1
117.03333	12.8
119.03407	1.2
119.04912	2.5
121.02832	4.5
123.04375	1.4
125.02345	4.2
129.01839	3.6
133.02859	1.5
134.03583	1.7
135.04436	11.2
135.91284	1.2
136.04747	4.1
137.02345	2.0
137.04860	1.4
141.04132	1.9
147.04451	1.8
149.02350	3.6
151.00294	3.2
153.01842	1.7
159.04396	4.0
161.02325	11.4
163.00330	1.4
163.03935	7.1
165.05484	2.8
168.00508	2.6
173.04457	10.7
175.04979	3.1
175.85568	1.4
179.03387	9.2
180.03780	2.4
181.03888	2.3
187.07539	1.8
189.01862	1.7
191.03830	2.0
191.05551	13.0
192.06061	1.4
193.04919	1.8
203.03506	2.4
205.03409	2.8
215.07272	1.3
222.87318	1.4
239.07114	2.2
241.05087	1.5
249.06175	1.9
267.07123	4.5
268.03900	3.4
269.04584	5.8
271.09729	2.0
281.04489	8.2
282.05249	4.2
283.06104	54.1
284.06439	2.4
285.03900	1.5
293.04517	5.4
295.06345	2.8
304.12509	1.2
309.03714	1.3
311.05594	100.0
312.05838	8.3
323.05612	11.5
325.07297	2.0
341.06628	12.8
353.08548	2.2
354.08905	1.9
355.09595	5.5
369.19208	1.5
413.08807	20.7
414.08939	1.7
421.39807	1.4
473.10910	52.4
474.11249	6.4
517.12122	4.4
517.19031	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	515.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77397	1.1
55.01744	0.9
55.54760	1.0
57.03319	60.1
59.01247	100.0
60.01579	1.1
61.98690	1.6
69.03331	1.7
70.72339	2.3
70.72649	1.0
71.01250	22.3
72.99179	1.3
73.02828	7.5
75.00751	1.9
78.95749	1.1
81.03340	2.5
81.77534	0.9
83.01243	5.4
85.02819	13.7
87.00761	3.2
89.02303	6.4
91.73249	1.1
93.03337	4.5
95.01275	2.2
96.95881	2.6
97.02821	1.5
99.00763	4.8
99.04388	69.0
100.04729	1.4
101.02312	26.8
109.02816	5.7
111.04417	1.6
113.02325	11.4
119.03387	3.0
119.04930	2.9
121.02831	2.9
123.04446	1.6
123.08038	1.1
125.02329	32.1
129.01822	1.4
134.03596	1.9
135.04405	2.2
136.05229	1.4
137.02321	3.2
139.07492	1.2
141.01691	1.7
143.03398	3.2
149.02357	1.2
151.07539	5.9
153.01851	3.3
155.03358	1.4
159.02913	1.3
161.02307	1.3
161.04460	6.7
163.03853	2.3
165.12691	1.1
173.04475	4.7
179.03391	1.7
183.04601	1.1
191.05534	3.3
193.05026	1.8
209.15446	3.1
267.06793	1.3
285.04074	3.8
289.07227	1.2
290.60507	1.5
298.07034	1.3
345.22733	1.3
353.19650	5.5
371.20688	27.8
372.20956	2.4
413.21860	7.3
447.09561	1.4
471.25595	1.6
497.31158	2.9
515.20850	4.9
515.24292	3.5
515.32385	9.5
520.98792	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
58.00465	0.3
59.01250	5.1
71.01253	4.1
72.99182	0.3
73.02811	0.9
78.95757	0.1
83.01258	0.5
85.02820	1.1
87.00743	0.6
89.02314	3.4
91.03871	0.2
95.01265	0.2
97.02838	0.2
98.50520	0.2
99.00773	0.3
101.02319	4.3
103.03889	0.2
113.02325	1.9
119.03387	0.9
125.02317	0.2
133.04916	0.4
143.03378	0.4
152.99533	0.2
157.04991	0.2
161.04475	1.5
179.05504	0.8
188.22018	0.1
235.08180	0.8
253.09262	14.0
254.09590	0.5
261.22256	0.4
279.23273	100.0
280.23630	7.4
297.75006	0.2
310.45047	0.1
335.11060	0.1
347.69415	0.2
443.78922	0.2
455.45847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01717	0.8
56.50756	0.7
57.03314	5.9
58.00424	1.1
59.01248	26.5
67.01738	1.6
67.07159	0.7
69.01520	0.7
69.03289	1.7
69.57095	1.3
69.57498	5.3
71.01251	21.2
72.99176	3.7
73.02768	3.1
75.00701	1.4
81.03300	1.1
83.01208	2.2
83.04861	1.4
85.02819	19.8
87.00697	3.1
89.02315	16.9
90.73705	0.7
93.03335	7.5
95.01233	1.8
96.95820	2.4
98.19779	0.9
99.00714	1.4
99.04359	1.0
101.02313	15.5
109.02838	3.6
111.00726	2.9
111.04346	2.9
113.02316	10.1
113.40294	0.8
119.02711	0.6
119.03389	7.1
119.04849	3.0
121.02837	4.2
125.02293	1.0
127.03868	0.9
127.71856	0.8
129.01755	3.0
129.05478	10.7
133.02765	1.8
134.03607	1.8
135.04367	3.5
137.02243	2.5
141.04056	1.3
143.00813	1.0
143.03334	1.3
147.04353	2.0
147.06476	2.0
148.01447	1.0
149.01256	1.0
149.02347	14.3
149.05867	0.9
150.03148	4.3
151.00255	0.9
151.03888	1.8
152.01001	1.1
153.01817	4.4
155.03412	1.3
160.01547	1.9
160.03894	4.3
161.02292	1.1
161.04485	1.4
163.03917	3.6
164.04700	11.0
165.01770	0.9
165.05510	3.8
166.02614	1.5
168.00458	1.0
173.04448	12.8
175.00296	4.4
175.02528	0.9
175.03880	4.2
176.01059	8.6
177.01797	1.8
179.03397	2.2
179.07022	1.5
181.04903	2.6
187.03983	1.2
190.02640	12.0
191.01813	1.8
191.03368	9.6
191.05472	24.2
192.04010	0.7
192.05911	1.1
193.04936	2.7
194.05296	0.9
195.06528	1.0
205.03348	1.8
205.05000	15.1
206.05614	3.1
207.02855	1.6
208.03722	1.1
208.07269	2.4
209.02910	2.5
209.04573	1.2
211.07587	1.6
221.08192	1.7
223.06119	11.7
223.09665	2.6
225.05112	1.1
237.07603	1.3
247.06091	1.6
249.06035	1.1
255.06502	1.4
265.07043	3.2
267.07309	1.2
273.12808	0.7
281.04446	1.0
291.10727	6.0
297.07562	1.4
309.11884	100.0
310.12326	4.9
323.05481	1.1
327.08691	1.1
413.14551	2.6
428.12369	1.4
453.18051	1.3
515.17798	37.0
516.11365	1.4
516.18140	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1552
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
53.80282	0.5
54.19163	0.5
59.01258	4.3
60.22890	0.5
61.98700	0.5
69.22554	0.5
71.01261	1.4
71.59383	0.6
87.00762	0.8
93.03340	0.9
97.78124	0.6
109.02864	1.1
121.02888	0.7
133.06503	0.7
135.04427	1.1
145.02844	0.7
147.04440	2.2
148.01605	1.0
149.02374	0.9
151.11092	0.6
160.01575	0.9
169.12285	1.7
175.00310	0.6
175.03951	2.3
176.01170	0.9
188.01088	5.0
189.01875	1.2
193.51601	0.7
200.01089	1.5
201.01878	4.4
201.11299	0.6
205.04993	0.8
209.11780	0.7
209.97583	0.6
219.06598	1.2
225.05524	0.8
237.05634	1.1
239.03380	0.6
241.04997	1.1
245.08357	0.7
253.05061	3.2
254.05432	0.6
265.05008	1.4
267.03058	1.0
269.04630	1.6
270.05273	2.0
279.19449	0.7
281.04547	2.6
282.05621	0.6
284.03415	1.1
285.04050	2.8
286.04205	0.6
297.03986	5.4
297.11340	0.8
298.04700	2.1
309.04062	43.6
310.04510	5.4
323.09097	0.8
325.10794	3.9
330.03763	1.6
337.07217	1.4
338.07782	0.7
351.08856	1.7
352.09515	23.4
353.10300	100.0
354.10617	8.7
447.09561	0.9
515.15576	73.2
516.15955	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35154	0.3
57.03334	0.7
59.01242	3.0
67.01757	0.9
69.03339	0.5
71.01256	2.3
73.02815	0.7
73.66081	0.3
75.00763	0.6
81.03327	0.4
83.01260	0.3
83.04906	0.9
85.02815	8.1
87.00750	2.6
88.98660	0.4
89.02310	0.6
93.03336	10.3
94.94305	0.3
95.01295	0.5
95.63087	0.3
96.99196	0.6
97.61076	0.4
99.00759	0.7
99.04404	0.5
99.66856	0.3
101.02305	0.5
107.04892	1.7
108.02077	0.6
109.02830	1.5
111.00723	0.6
111.04397	3.4
113.02323	1.0
117.03315	0.6
119.04923	0.7
121.02882	0.4
123.04422	0.7
125.02292	0.6
127.03886	2.1
129.01837	1.0
130.04068	0.4
131.04907	0.8
133.02849	2.3
134.03622	4.0
135.04410	56.3
136.04739	2.4
137.02339	1.4
143.04924	3.5
145.02858	0.5
149.02354	0.5
152.01082	0.5
153.01814	0.5
155.03450	1.9
161.02339	6.0
163.03937	0.7
168.00412	0.5
171.02957	0.4
171.04422	0.6
173.04466	9.9
179.03412	53.5
180.03745	1.9
191.05528	100.0
192.05869	4.3
205.03401	0.5
205.05098	0.5
211.07564	1.7
221.09669	0.4
235.07588	0.7
237.09241	0.8
263.12180	0.3
265.08710	4.3
267.07101	0.9
309.07721	1.3
309.11505	0.5
327.08786	2.9
335.07745	1.5
341.10266	6.4
342.10422	0.4
353.08743	69.3
354.09070	5.9
491.82928	0.4
515.10638	0.5
515.17365	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	515.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	59.5
71.01241	38.4
73.02831	11.4
75.07430	7.1
85.02805	18.1
87.00755	9.9
89.02329	48.7
92.21602	7.7
101.02338	18.4
111.17809	6.8
113.02337	40.6
119.03377	20.9
129.01924	11.2
131.08046	9.2
142.99754	17.9
159.05399	7.5
173.00876	11.9
173.04504	18.3
173.09236	38.4
179.05510	19.9
341.10907	100.0
362.62152	9.1
428.88733	9.0
515.14935	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	515.1558
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
52.11764	0.1
55.98713	0.1
57.03310	0.1
59.01248	5.2
61.98711	0.1
66.39892	0.1
69.03314	0.3
69.64358	0.1
69.75333	0.1
71.01249	1.1
73.02830	0.4
73.99639	0.1
75.00751	0.2
76.60139	0.1
81.03344	0.1
83.01260	0.4
85.02822	0.5
87.00757	0.3
89.02293	0.4
93.03342	0.4
95.01315	0.2
96.95889	0.2
99.00748	0.4
101.02329	0.8
108.02059	0.2
109.02826	0.2
113.02302	0.5
119.03403	0.3
119.04916	0.3
121.02815	0.7
122.03649	0.1
125.06069	0.1
127.03936	0.2
131.01254	0.2
133.02791	0.8
133.06458	0.1
135.04413	0.3
136.01567	0.2
137.02327	0.4
139.03889	0.2
147.10175	0.1
148.01573	0.6
149.02327	0.7
160.01553	0.8
161.02254	0.2
161.04498	0.2
163.00217	0.1
163.03970	0.2
164.51463	0.1
173.04480	0.2
175.00269	1.2
175.03868	0.2
177.01834	0.1
179.05556	0.2
185.05920	0.2
188.01065	4.3
189.01784	0.6
190.02654	0.1
193.08696	0.1
197.05943	0.2
199.03864	0.2
200.01085	2.2
201.01830	2.6
202.02391	0.2
209.05983	0.4
209.11935	0.1
211.03792	0.2
212.04453	0.2
213.05466	0.1
219.06573	0.4
224.04640	0.2
225.05534	1.0
226.02765	0.1
227.03419	0.5
228.04025	0.2
236.04762	0.3
237.05525	0.5
239.03452	0.3
240.04178	0.3
241.05011	0.5
243.06548	0.4
249.06047	0.1
250.02800	0.1
251.03497	0.2
252.04160	0.2
253.05031	2.1
254.05681	0.3
255.03030	0.1
256.34964	0.1
263.03445	0.2
264.04190	0.2
265.05042	0.9
267.03061	0.6
267.07077	0.1
268.03503	0.3
269.04492	1.1
270.05249	0.5
279.02802	0.3
280.03781	0.5
281.04581	1.5
282.05429	0.2
283.02631	0.2
284.03168	0.7
285.03964	1.0
291.03006	0.4
292.03751	0.3
296.03333	0.2
297.04034	4.5
298.04724	2.1
299.05032	0.2
307.02582	0.1
308.03305	0.5
309.04019	41.5
310.04324	4.0
323.05710	0.2
323.09186	0.5
324.09592	0.6
325.10623	0.4
330.03735	2.2
331.04117	0.2
333.07516	0.2
335.09222	0.4
337.07175	1.1
337.10632	0.2
338.07748	0.3
351.08710	1.6
352.09476	22.7
353.10254	100.0
354.10611	11.3
354.15146	0.3
375.12103	0.2
375.28586	0.1
395.11322	1.6
396.11478	0.2
447.09430	0.2
484.17175	0.1
515.15491	15.3
515.28973	0.9
516.15869	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	514.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95679	0.1
57.03321	0.9
59.01248	2.8
60.01600	0.2
61.98699	100.0
71.01249	0.8
71.13520	0.3
72.99181	0.2
73.02805	0.3
75.00764	0.3
81.03344	0.2
83.04890	0.4
85.02829	1.6
87.00738	0.2
89.02338	0.3
93.03326	0.9
99.04357	0.4
101.02345	0.6
108.02050	0.4
109.02866	0.6
111.00785	0.3
113.02354	0.3
119.03375	0.2
121.02827	0.4
123.00756	0.3
125.02361	0.5
129.01897	0.3
134.03667	0.2
135.04428	0.6
137.02336	0.4
149.06009	0.7
150.03140	0.2
151.00261	0.2
152.01067	0.4
153.01837	0.4
155.03423	0.2
161.02429	0.2
163.03920	0.3
167.03238	0.2
168.00575	0.5
173.04439	1.1
175.03975	0.3
175.74704	0.2
179.03432	0.6
179.07063	1.0
190.02762	0.2
191.05544	2.1
193.04993	0.2
205.03548	0.5
223.04628	0.6
240.51613	0.2
249.06090	0.3
253.08542	0.2
267.07297	0.3
287.65170	0.2
301.11844	0.2
311.93234	0.2
315.07587	0.2
323.05792	0.2
353.08975	0.4
391.24710	0.2
427.16061	0.2
436.32785	0.2
452.33313	0.5
453.33322	1.0
454.33710	2.7
514.18915	0.2
515.17133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1196
Annotation	1,3-Dicaffeoylquinic acid
Peak:m/z	Relative Intensity
57.03329	0.9
57.21579	0.4
57.51826	0.4
59.01244	3.7
60.77515	0.4
67.01766	0.8
69.30191	2.7
69.30615	1.6
71.01255	2.8
72.99179	0.5
73.02818	1.0
75.00780	0.6
75.20277	0.3
81.03343	0.5
82.72112	0.4
83.04913	0.6
85.02817	8.7
87.00763	2.7
88.98695	0.6
89.02358	0.6
93.03342	13.4
94.03685	0.4
96.95892	0.5
96.99249	0.5
98.19733	0.7
99.00767	0.7
107.04916	1.1
108.02066	0.7
109.02834	1.4
111.00734	0.7
111.04389	2.8
113.02333	1.7
117.03366	1.1
117.43447	0.4
119.04865	0.7
121.02882	0.6
123.04442	0.8
125.02312	0.7
127.03912	1.7
128.73351	0.4
129.01837	1.3
131.04904	1.1
133.02863	3.3
134.03656	4.4
135.04417	58.3
136.04726	2.3
137.02315	1.4
143.04933	4.9
145.02858	0.9
152.01004	1.3
155.03432	3.0
155.84119	0.4
161.02339	5.4
163.03877	0.8
168.00572	1.0
173.03273	0.3
173.04468	12.7
179.03418	55.2
180.03769	3.0
183.06393	0.5
191.05537	100.0
192.05836	3.1
193.04858	0.6
205.03445	0.6
205.05096	0.6
211.07603	2.4
222.53267	0.4
235.07628	1.4
237.09181	1.7
249.06172	0.9
265.08698	6.7
267.07230	1.5
285.03964	0.8
309.07755	1.9
309.11923	1.4
327.08734	4.2
335.07678	1.2
341.10287	8.0
353.08755	64.4
354.09171	5.0
407.08203	0.6
451.91934	0.5
457.63702	0.5
515.11066	0.4
515.17059	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	514.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91353	0.6
55.01749	0.7
57.03325	3.2
59.01248	12.8
61.98693	2.0
65.77456	0.5
66.02925	0.6
67.01750	0.6
68.01283	0.7
68.54610	0.5
69.03312	3.2
71.01246	9.2
71.07681	1.3
72.99178	1.1
73.02798	3.3
74.32892	0.6
75.00742	1.0
79.28975	0.5
80.96405	0.7
82.02839	0.7
83.01263	2.3
85.02819	8.1
87.00748	1.7
89.02309	1.9
93.03318	3.3
95.01275	1.0
96.95895	0.9
97.00314	12.0
97.02823	1.1
97.03939	1.0
98.01102	7.7
98.02361	0.8
99.00753	2.2
99.01881	1.3
99.04411	2.1
101.02315	5.0
101.03410	0.8
102.01819	1.1
107.28043	0.5
108.02049	0.6
109.02827	2.0
109.06548	0.5
110.70110	0.6
111.00752	1.8
111.01881	11.9
111.04369	0.9
111.08021	1.7
113.02331	6.4
117.02921	1.0
118.19852	0.5
119.03334	0.9
119.04919	4.6
121.02836	1.3
123.04391	0.8
124.01524	0.6
125.02327	2.0
129.01810	1.9
133.02913	1.3
134.03587	1.6
135.04437	1.3
137.02328	3.1
141.01700	69.2
142.02495	6.3
145.02867	1.4
147.00684	1.0
149.02324	1.4
149.05989	0.7
150.03142	0.9
151.00320	0.6
151.03865	0.9
152.01115	0.6
153.01855	1.0
153.02939	5.6
155.03391	1.2
161.02403	1.0
161.04453	10.6
163.03889	3.1
164.00983	0.7
164.04367	0.6
165.12752	18.1
166.13123	0.8
168.00519	0.6
173.04463	4.0
175.00273	1.8
177.01932	0.8
178.02570	0.6
179.03395	1.3
183.13826	28.4
184.14174	1.6
185.00786	0.9
188.05536	1.8
190.02718	1.0
191.05544	2.0
191.10747	0.8
193.04980	1.0
205.03424	1.4
205.05116	0.8
207.13742	0.7
209.04500	0.9
209.11780	1.7
227.12839	8.7
261.07187	2.9
275.09631	0.6
281.21024	0.5
284.03448	1.3
285.04062	4.4
293.04645	0.8
304.07770	8.7
305.08224	0.7
323.13446	0.9
353.02673	0.7
353.10043	0.8
365.21481	0.6
428.19180	6.6
447.09335	1.4
470.21295	2.8
471.19760	14.5
472.20041	1.4
496.19421	5.3
500.58047	0.6
514.20380	100.0
515.13300	0.8
515.20721	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	513.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.03326	0.2
58.00463	0.2
59.01256	6.9
60.01612	0.1
69.03329	0.1
71.01257	5.4
72.01587	0.1
72.98843	0.1
72.99186	0.4
73.02824	1.0
75.00774	0.1
76.62524	0.0
80.83603	0.0
81.03327	0.1
83.01253	0.6
83.04900	0.2
85.02827	1.2
87.00759	0.6
89.02319	4.1
91.03890	0.2
95.01267	0.4
97.02845	0.2
99.00771	0.3
99.04427	0.1
101.02325	4.9
102.02698	0.1
103.03907	0.2
105.43627	0.0
111.00774	0.1
111.04385	0.1
113.02332	2.4
115.03873	0.1
119.03392	1.1
125.02367	0.3
127.07573	0.3
131.03445	0.1
133.04959	0.3
138.70920	0.1
143.03407	0.5
149.04492	0.1
152.99591	0.1
157.05020	0.1
159.02866	0.1
161.04471	1.8
161.05823	0.1
179.05554	0.6
196.19685	0.1
197.11748	0.1
205.19507	0.1
233.22768	0.4
235.08200	1.1
253.09267	16.6
254.09666	0.7
259.20654	0.5
275.20163	0.3
277.21713	100.0
278.22061	8.9
278.25296	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88076	0.1
55.01753	0.4
57.03315	0.2
58.00462	0.3
58.77931	0.1
59.01247	7.1
63.98032	0.1
70.18851	0.1
70.19245	0.2
71.01250	4.9
72.99167	0.3
73.02806	1.1
83.01247	0.7
83.04873	0.2
85.02812	1.0
85.71214	0.1
87.00745	0.7
89.02314	3.5
91.03844	0.1
95.01241	0.4
97.02808	0.1
97.06502	0.1
99.00738	0.3
99.04413	0.1
101.02320	4.4
103.03856	0.2
113.02322	2.2
114.02669	0.1
115.03835	0.2
117.68137	0.1
119.03406	1.1
125.02321	0.3
127.07490	0.3
131.03384	0.1
133.04938	0.3
138.11041	0.1
143.03397	0.4
145.30345	0.1
157.04951	0.2
161.04459	1.7
179.05525	0.5
182.13004	0.1
205.19594	0.1
233.03618	0.1
233.22627	0.3
235.08206	1.2
253.09247	15.7
254.09636	0.9
259.20651	0.3
261.18954	0.1
275.20169	0.3
277.21695	100.0
278.22040	8.8
407.11145	0.1
411.98877	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	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36330	0.4
58.00449	0.7
58.87346	0.4
59.01252	70.7
59.25010	0.5
60.01591	0.8
69.30454	3.8
71.01254	5.0
72.99192	0.7
76.35571	0.4
83.04904	0.7
85.02816	2.1
89.02317	3.2
95.01287	1.3
97.06487	0.6
98.19757	0.8
99.00796	0.4
99.58699	0.4
101.02325	4.6
113.02322	6.1
119.03374	3.1
147.12112	0.5
148.08865	0.9
150.10390	0.7
151.11188	0.8
156.67062	0.4
161.04497	1.4
163.11223	0.7
165.12762	14.7
166.13071	0.6
171.10121	0.6
172.10645	0.5
183.39337	0.4
209.11830	2.1
210.12114	1.9
247.13397	0.5
247.20627	7.0
271.20551	0.5
273.18616	4.4
291.19662	100.0
292.19989	9.3
305.21179	2.4
315.19775	1.0
333.20746	4.5
345.20636	0.9
363.21805	0.9
513.18262	0.5
513.27466	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50546	0.9
57.03321	84.7
58.00456	2.1
58.22541	1.0
59.01248	100.0
60.01553	1.0
60.99165	1.2
61.98714	1.8
67.01740	3.0
68.99689	1.4
69.03329	6.7
70.98039	2.6
70.99395	1.0
71.01250	40.2
72.99180	3.9
73.02813	19.9
75.00730	2.9
79.05412	1.0
80.96397	1.8
81.03313	4.0
83.01258	10.9
83.04897	2.4
84.02100	1.1
85.02824	18.8
87.00730	4.9
89.02311	22.5
89.03818	1.2
93.03326	19.7
94.03619	1.5
95.01250	3.8
96.95854	1.5
97.02825	3.0
97.06468	1.5
99.00742	3.0
99.04390	85.4
100.04718	1.5
101.02317	43.2
108.02035	2.2
109.02822	3.7
109.06424	1.3
111.00738	3.3
111.04407	9.3
113.02325	22.7
113.05970	1.9
115.00255	1.8
117.03335	4.1
119.03388	9.1
119.04903	16.3
120.05261	1.1
121.02863	1.3
121.06486	1.4
123.00746	5.7
123.04372	7.5
124.01521	3.4
125.02327	46.0
129.01796	3.5
131.03415	2.6
132.02061	2.9
133.02832	1.6
134.02634	1.8
134.03621	23.1
135.04369	2.5
137.02321	11.2
137.09607	10.6
141.04095	2.0
141.05501	2.0
143.03394	7.3
144.90733	1.0
145.02861	16.4
149.02348	2.6
149.04434	4.5
149.05988	3.0
149.99445	3.0
151.03854	1.4
151.07567	2.3
152.01028	1.5
153.01814	3.6
153.05493	2.3
155.03415	18.3
156.03769	1.1
160.01552	10.0
161.02293	2.0
161.04454	13.6
161.05840	1.5
163.03911	16.2
165.05493	1.8
165.94286	1.0
167.03406	1.5
168.00595	6.0
173.04462	60.8
174.04843	2.0
175.03923	11.0
179.03343	1.4
179.05531	8.3
185.00778	2.5
189.12769	1.6
190.02632	2.7
191.05608	5.3
193.04977	16.0
205.03343	2.2
205.04999	2.6
210.32530	1.1
211.07593	1.9
221.06421	1.7
222.06636	1.4
233.04233	1.2
250.06377	1.2
263.07611	2.1
267.07077	2.1
285.03961	1.7
313.05508	3.4
319.08267	12.2
320.08572	1.3
323.09662	1.2
337.09271	9.1
349.09271	18.1
367.10461	1.5
453.14160	2.0
482.15314	1.2
496.20480	2.1
513.13556	3.8
513.18982	7.6
513.30945	2.2
514.21704	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	513.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24969	0.8
50.36042	0.6
53.49065	0.5
57.03312	2.4
59.01246	13.4
66.08341	0.7
67.01723	0.6
68.99698	1.8
69.03329	2.1
71.01250	15.7
71.38766	1.5
72.99177	3.0
73.02816	1.9
75.00739	11.6
80.03439	0.7
81.03313	1.2
83.01270	2.5
83.04880	1.0
85.02818	20.2
87.00744	6.2
89.02322	5.4
89.87897	0.7
93.03330	2.2
95.01245	3.5
96.50118	0.7
96.95914	1.5
97.02831	2.1
97.06483	0.9
99.00775	6.4
101.02312	1.4
103.00245	1.1
108.02029	2.1
109.02814	3.2
111.00735	3.8
111.04407	1.6
113.02328	20.8
113.05939	1.0
115.00260	1.6
115.27126	0.7
117.01804	1.7
122.03631	1.4
123.00784	1.5
123.04385	0.7
124.01550	0.7
124.32603	0.6
125.02344	1.9
125.05968	1.6
129.01825	6.5
133.02861	3.4
134.03636	1.4
135.04398	2.0
136.05202	1.6
137.02328	2.2
139.00261	1.1
139.07527	3.0
141.01831	0.8
147.02849	0.7
148.05183	1.6
149.02391	0.9
149.05920	1.0
151.03972	0.7
151.07523	4.5
152.01068	2.5
152.08313	1.7
153.01788	1.7
153.09103	0.9
160.01601	1.2
161.02330	0.8
161.04486	0.7
161.09663	0.9
163.03870	0.9
163.07524	1.4
163.11186	0.6
173.04469	3.3
175.02373	2.1
175.03867	1.5
177.01868	1.9
179.03430	1.8
189.03995	0.7
190.02663	0.7
191.05557	2.3
193.04907	0.8
201.12726	5.5
203.10754	1.9
204.11546	5.1
205.03448	2.6
205.05142	1.3
219.13837	12.1
220.14246	0.8
223.04506	7.0
230.09412	1.4
231.05022	1.3
245.11833	2.8
249.03511	1.3
249.06111	25.6
250.06468	1.2
263.12836	3.3
267.07181	21.4
268.07571	0.9
367.20959	0.8
481.18384	1.2
513.19800	100.0
514.20135	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	513.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31615	0.4
57.93352	0.4
59.01246	1.6
66.03386	0.4
68.02418	0.8
69.03323	0.6
69.27246	4.4
71.01240	1.9
72.00772	0.7
81.00816	1.4
84.69493	0.3
85.02821	0.8
85.53080	0.4
87.00727	0.7
93.03350	1.2
97.00316	2.3
98.01096	2.3
98.03461	0.8
99.01874	15.5
101.02304	1.0
110.03480	1.6
111.02982	0.6
111.04408	0.8
111.08069	0.9
113.02327	0.7
119.04919	1.1
127.66830	0.4
134.03633	1.6
137.02307	1.6
139.02501	2.9
140.03288	11.6
141.04077	100.0
142.04396	1.5
145.02837	0.9
149.73325	0.4
152.04610	0.5
153.04080	0.9
155.03397	1.5
160.01538	0.6
161.04463	1.0
163.03937	1.4
165.12723	3.7
173.04483	5.2
175.03888	0.8
183.13823	6.3
187.32355	0.4
191.05539	0.7
193.04997	1.6
202.75523	0.4
209.11852	0.5
227.12790	3.3
251.12878	1.2
260.08936	0.5
275.12894	0.5
285.08417	0.6
293.14020	2.8
303.09433	32.7
304.09668	1.6
311.15173	0.5
319.08270	1.3
337.09201	0.9
349.09177	1.3
367.10156	0.6
371.16953	0.6
469.23080	1.6
495.20654	1.0
513.21973	46.3
514.22394	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	513.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63367	0.3
57.03312	1.0
58.00467	0.9
59.01249	17.8
61.98677	0.5
67.01745	0.3
69.03331	1.8
69.25516	1.4
69.25951	2.1
71.01247	13.7
72.99165	1.1
73.02818	1.4
75.00742	0.6
82.30869	0.3
83.01257	2.5
83.04910	0.6
85.02824	4.6
87.00739	1.7
89.02309	9.1
89.03838	0.4
91.01752	0.3
93.03320	1.6
93.44423	0.3
95.01257	1.3
96.95886	0.4
97.02805	0.7
98.20557	0.7
99.00749	1.1
99.08031	10.7
101.02318	7.8
108.02067	0.6
109.02843	0.7
111.00727	0.3
111.04389	0.4
113.02327	6.2
117.03332	0.7
119.01285	0.6
119.03380	3.7
119.04899	1.0
121.02846	6.9
123.04430	0.5
125.02333	1.2
127.07526	3.1
129.09097	1.0
131.03316	0.6
132.02075	0.8
134.03621	0.4
135.04369	0.6
137.02322	0.8
141.01785	0.5
141.04111	0.4
141.09114	1.8
143.03394	0.7
145.08601	36.4
146.08943	1.4
147.00717	0.5
147.04407	2.5
149.02341	37.8
150.02692	1.3
151.03877	0.5
151.07539	1.1
152.01065	0.3
161.04482	0.6
163.03926	0.9
163.67323	0.4
164.04692	25.6
165.05069	1.4
168.00568	0.3
173.04453	1.9
175.00273	2.6
175.03835	0.4
176.96831	1.4
179.03415	0.5
179.06934	1.8
185.00778	0.9
187.09633	1.4
187.11133	0.4
190.02634	6.2
191.03242	0.8
191.05524	1.5
193.04993	0.8
205.04984	7.3
206.05505	0.5
208.03743	0.9
223.06059	34.8
224.06438	1.3
229.14479	0.4
269.04538	0.5
285.03973	0.4
289.12927	3.7
307.13959	100.0
308.14313	5.9
468.56393	0.4
495.29752	0.7
513.19684	3.3
513.31073	0.6
514.20251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24776	0.3
55.01749	3.2
57.03322	18.5
59.01260	3.5
61.98703	0.4
67.01752	1.3
68.99683	1.2
69.03334	0.7
69.27733	1.9
69.28155	1.9
71.01248	7.2
72.99178	1.9
73.02813	2.4
75.00735	1.4
75.61075	0.4
80.96380	1.7
83.01256	8.9
84.02048	2.0
85.02818	100.0
86.03155	1.8
87.00758	0.7
93.03309	1.0
97.02797	0.6
97.06422	0.6
98.19778	0.8
99.00748	1.4
99.04337	0.4
101.02322	4.7
109.02848	0.5
111.00760	24.6
112.01102	0.5
113.02338	1.2
123.00785	1.5
124.01542	0.6
125.02337	2.5
125.48726	0.4
129.01823	47.5
129.59099	0.4
130.02158	0.9
133.02840	2.6
134.03629	8.1
135.04410	1.9
137.02322	1.3
141.04070	0.9
143.03352	1.1
149.99554	0.5
151.03970	0.6
152.01027	0.9
153.01790	0.5
160.01521	0.6
161.02318	1.2
161.04466	3.3
163.03922	0.8
168.00565	1.1
173.00813	0.5
173.04495	1.3
175.03917	0.6
177.01860	1.1
177.03897	0.5
178.02667	1.2
179.03496	1.0
187.02408	1.6
190.02802	0.4
191.05602	0.8
205.03458	29.6
206.03799	0.9
225.00575	0.6
231.10252	0.5
249.06021	0.5
267.07205	0.6
307.11789	3.3
313.05679	0.6
343.12125	0.5
434.59354	0.4
513.15527	3.5
514.16547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	47.0
71.01250	57.9
71.57349	7.1
83.01256	6.3
85.02824	38.8
86.15269	4.8
87.00710	6.2
96.95947	5.3
101.02336	7.7
111.00790	5.3
113.02312	44.5
131.03387	11.3
139.01735	5.0
185.09270	7.6
189.04149	4.9
201.03934	9.0
245.06664	7.9
276.88742	6.4
317.08487	6.6
381.10446	8.4
403.08200	5.8
435.11011	6.6
453.12277	30.4
513.14587	100.0
514.14612	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	513.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25155	0.6
52.84768	0.7
54.51385	0.5
55.01772	3.3
55.01994	0.6
57.03324	17.9
59.01249	8.4
67.01769	1.8
68.99690	0.7
69.03320	1.7
71.01252	8.0
71.57932	1.1
72.99185	2.0
73.02818	3.3
75.00735	2.3
83.01255	8.4
84.02045	2.5
85.02820	100.0
86.03161	2.1
87.00734	1.4
89.02331	2.0
89.71562	0.7
93.03323	2.5
96.95879	1.4
97.02824	0.7
97.06453	1.3
99.00762	2.0
99.04385	3.8
101.02317	7.1
102.51482	0.6
108.02037	1.2
109.02869	1.0
111.00758	27.7
111.04351	0.8
113.02306	2.3
114.05505	0.9
115.00201	0.9
119.04920	1.7
121.02864	1.0
123.04439	1.0
125.02351	4.3
129.01828	51.0
130.02132	1.4
133.02837	2.0
134.03629	9.7
135.04388	2.9
137.02341	2.4
141.04092	1.4
143.03386	0.9
147.04410	0.7
151.00270	0.9
152.01025	1.0
153.01801	1.4
155.03426	0.8
160.01587	1.8
161.04443	3.9
163.03896	1.9
173.04509	4.7
175.03941	1.4
177.01872	0.8
177.03935	0.9
178.02583	1.2
179.03419	1.1
185.00800	1.3
187.02383	1.6
187.11183	0.8
191.05457	1.8
193.05005	2.4
205.03456	27.8
206.03809	1.5
211.07541	1.2
222.06628	1.0
236.08238	0.9
243.20819	0.7
249.06279	0.9
250.06071	0.9
265.08728	0.7
307.11984	3.4
312.15594	0.8
327.08691	1.3
387.10849	1.3
423.12900	1.8
453.14243	3.2
477.13800	0.8
513.20941	5.8
513.31140	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.2
59.59325	0.8
67.01755	3.7
69.03326	1.5
71.01257	3.1
71.44928	2.1
73.02839	1.0
80.96375	1.3
81.03343	1.0
83.01270	0.9
83.04878	4.3
85.02828	3.8
87.00755	2.8
89.03834	1.5
93.03328	20.5
97.02837	1.3
109.02869	1.7
111.00764	2.5
111.04407	16.4
117.03343	10.8
119.04912	28.8
121.02851	5.0
127.03902	1.7
132.02065	1.8
134.03627	50.4
135.04007	2.3
137.02338	18.0
145.01660	1.1
145.02849	36.9
149.05981	4.0
155.03400	40.5
156.03714	1.0
160.01553	15.2
163.03912	27.0
164.04280	1.3
164.98471	1.1
173.04462	100.0
174.04805	1.9
175.02480	1.4
175.03918	18.7
178.02551	1.6
193.04979	43.9
195.08121	1.2
239.07076	1.4
262.11273	0.9
269.08313	0.9
275.09137	0.9
305.10129	1.0
319.08200	37.5
320.08496	2.9
334.07324	0.9
337.09299	14.8
338.09525	1.6
349.09268	49.1
350.09546	3.4
367.10324	2.7
513.13873	23.7
513.20374	1.3
514.14197	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	513.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78626	0.4
57.03337	1.0
59.01249	4.1
60.99198	0.5
67.01756	4.4
67.15146	0.4
69.03349	1.9
69.42918	0.4
70.07768	1.3
70.08177	1.0
71.01250	4.4
72.99189	0.5
73.02819	1.0
80.96413	1.4
81.03357	1.1
82.95982	0.6
83.01292	0.5
83.04887	2.8
84.77620	0.4
85.02816	2.3
87.00771	1.9
89.02338	1.2
89.03864	0.5
93.03329	24.2
93.13445	0.5
94.03674	0.8
95.01261	0.5
98.19846	0.6
99.00775	0.9
99.04404	0.6
101.02320	0.9
105.78693	0.5
108.02050	0.8
109.02850	1.8
111.00756	2.0
111.04402	12.2
111.47509	0.5
111.63772	0.4
113.02341	1.2
115.00262	0.4
117.03329	8.2
117.04064	0.6
119.04910	23.0
120.05304	0.6
121.02859	0.9
125.02359	0.7
127.03915	0.9
129.01826	0.7
132.02069	1.6
133.02856	1.1
134.03622	39.0
135.00998	0.4
135.03954	1.2
137.02336	16.1
139.03912	0.5
145.02850	22.2
146.03206	0.7
149.05978	4.8
151.07584	0.5
153.01776	0.7
155.03397	26.4
156.03711	0.7
160.01550	12.4
163.03915	23.4
164.04286	0.8
171.62627	0.5
173.04460	100.0
174.04823	2.9
175.03902	15.2
176.04240	0.8
176.96907	0.7
177.01842	0.6
178.02637	1.4
179.03401	0.5
181.60989	0.4
185.00729	1.2
189.16423	0.5
191.05539	3.2
193.04980	36.0
194.05310	1.9
195.08073	0.7
213.09070	0.5
253.09688	0.4
269.08047	0.7
275.09201	0.6
305.09961	0.6
319.04404	0.6
319.08197	21.0
320.08542	2.2
337.09253	20.3
338.09448	1.9
349.09241	36.2
350.09622	2.6
367.10397	3.8
368.10205	0.6
492.06265	0.5
512.19141	0.6
513.13580	15.0
513.30255	0.7
514.13922	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	511.2905
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.13713	0.4
57.03313	0.6
59.01241	1.8
61.98699	0.4
69.03362	0.4
71.01243	1.0
71.13518	1.0
80.02540	1.1
81.03333	1.4
82.71265	0.4
83.04893	5.7
83.32275	0.4
84.02054	0.8
85.27675	0.4
85.68431	0.4
93.03329	1.2
95.04913	1.0
97.06448	1.2
102.04576	0.5
109.06445	0.9
111.04393	0.7
121.06394	0.5
123.08040	0.6
125.05968	0.6
125.09618	2.7
135.04381	0.6
135.08029	1.3
147.11691	0.7
149.09622	0.8
163.11198	4.4
165.12764	2.6
171.10168	28.5
172.10536	1.0
181.12296	0.8
185.11816	1.3
191.10699	1.2
198.25620	0.4
199.13507	0.5
199.62437	0.5
203.14429	0.5
207.10132	0.7
209.11758	100.0
210.12097	5.3
211.13359	1.2
219.13931	0.5
221.11787	1.4
223.13361	1.4
225.11327	0.8
227.12814	10.9
228.13234	0.7
229.12309	0.6
231.13841	0.6
239.12788	0.5
247.13365	7.6
249.15010	0.5
265.14404	3.0
289.48727	0.5
331.22641	0.6
375.21631	1.0
375.25589	1.1
391.25003	0.5
401.23285	1.3
419.24237	1.4
431.24670	1.0
437.25488	0.8
449.25397	3.1
450.25748	0.8
457.26059	0.5
475.26746	2.8
493.28043	2.3
501.89926	0.5
511.18454	1.0
511.28821	3.4
513.26605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.3
62.51634	0.6
64.06173	0.6
65.31164	0.7
71.01229	1.2
71.58685	1.2
79.45147	0.6
80.02549	1.2
80.96401	1.3
81.03329	1.5
83.01222	0.9
83.04897	6.2
93.03341	1.9
95.04887	0.9
97.06461	1.3
97.78544	0.8
108.67140	0.7
109.06490	1.5
113.02351	1.0
116.62092	0.6
125.09613	3.6
129.27545	0.7
134.03641	1.0
135.08043	2.0
138.01851	1.9
149.09596	1.2
151.00366	0.9
151.07578	0.9
163.11212	5.3
165.12747	4.9
171.10178	27.7
172.10490	1.6
181.12157	0.7
183.13808	3.0
185.11748	1.7
193.04956	0.8
193.12157	0.8
199.13309	1.6
203.14441	0.9
206.64049	0.9
209.11772	100.0
210.12140	6.3
211.13318	4.2
221.11852	1.6
223.13370	1.2
225.11234	1.1
227.12848	16.4
228.13200	1.1
237.14951	0.9
247.13377	8.4
265.14474	3.4
313.24130	1.2
331.22647	0.8
331.26431	0.9
357.24603	0.9
375.25723	1.5
393.22400	0.8
401.23413	2.1
419.24490	1.6
437.25668	1.4
449.25473	2.7
470.30722	0.8
475.26953	3.4
488.05289	0.8
493.28128	2.9
511.19162	0.9
511.29120	4.2
531.80878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20066	0.8
59.01232	1.3
63.94421	0.8
67.25685	0.7
67.48334	0.9
69.42000	6.7
70.82240	0.7
83.72987	0.8
85.02806	1.3
110.05975	2.7
120.19553	0.7
121.05220	1.7
122.05996	5.4
134.03635	0.7
139.04033	0.7
144.04463	5.3
146.06015	1.1
160.03859	1.6
160.19975	0.8
161.04688	2.2
162.05486	2.1
172.03981	3.5
173.04688	1.2
174.05544	1.6
175.06245	0.8
188.03366	1.2
194.95915	0.7
199.62308	0.8
203.05821	3.2
204.06558	8.1
211.08588	1.0
212.05844	5.9
213.10179	0.9
217.70795	0.8
225.06615	2.0
227.11819	1.3
228.12628	0.9
237.10332	5.7
239.08150	4.7
240.08900	1.5
241.09778	1.7
251.08366	0.8
251.11833	3.0
252.12636	5.2
253.06226	5.9
253.09775	5.1
254.10522	1.8
255.11382	3.1
265.06357	0.7
266.06967	1.9
267.07672	8.7
267.11331	2.6
268.08594	4.4
268.12039	4.0
269.12918	1.6
279.08002	0.7
279.11551	1.2
280.08557	3.3
281.09296	14.8
282.09879	2.5
285.08899	2.0
295.10855	7.9
296.11649	18.7
297.12146	1.2
299.10410	3.9
300.11020	2.7
311.10394	1.4
312.11090	0.8
313.11893	3.6
328.10562	5.3
328.14175	1.8
329.11313	2.2
337.15283	0.8
340.10562	1.6
343.12921	1.1
346.88138	0.9
360.13373	1.0
372.12711	1.1
374.18924	2.0
380.18253	0.9
406.17599	2.7
418.17740	9.3
419.17252	1.0
436.18808	8.8
437.19366	0.9
452.19037	0.9
462.16428	1.8
468.21603	1.0
480.11203	0.6
480.17725	14.5
481.18341	2.2
494.19257	4.9
495.19315	1.1
512.20355	100.0
513.20673	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	511.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.8
57.03309	3.9
59.01249	62.7
59.66776	1.0
61.98698	2.3
64.21094	1.1
69.03314	3.1
70.23882	1.1
71.01250	40.7
71.04913	1.7
71.59216	1.5
72.99158	3.0
73.02818	18.6
75.00751	2.9
78.95782	1.9
83.01250	14.0
84.56299	1.2
85.02819	26.1
85.03336	1.4
85.99995	1.5
87.00753	3.4
89.02298	7.3
93.03341	2.0
95.01236	3.5
96.95898	2.3
97.02817	3.9
99.00763	8.0
99.04388	1.5
99.52486	1.2
101.02319	42.1
103.03872	1.7
110.65503	1.2
111.00777	1.7
113.02321	19.7
121.02821	3.8
123.00747	1.9
123.04381	1.6
124.01540	5.3
125.02317	8.6
129.01752	1.5
137.02351	4.0
139.03883	2.4
143.03351	2.8
152.01083	1.8
159.02884	4.2
161.04477	13.6
171.10252	1.5
175.02480	1.2
183.13739	2.0
200.97672	1.3
205.05061	1.7
209.11794	3.6
211.13329	1.8
227.12799	1.6
247.08571	1.3
285.03937	3.0
305.19669	71.0
306.19995	5.1
315.07019	1.3
331.19266	2.1
343.24731	1.3
451.25449	100.0
452.25684	10.0
511.17728	4.9
511.33246	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	509.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34865	0.4
69.29758	0.4
69.30157	3.0
78.76707	0.3
78.95776	19.7
81.63319	0.3
82.75894	0.3
84.40145	0.3
96.96841	1.6
98.19776	0.7
107.61390	0.3
124.21313	0.3
130.99608	0.3
134.57895	0.3
137.87569	0.3
150.97876	0.5
152.99493	31.3
153.99832	0.4
168.41725	0.3
171.00540	1.7
227.03242	4.9
245.04317	1.4
281.24854	100.0
282.25198	7.9
283.26483	0.9
284.26749	1.2
417.24030	0.9
509.28818	52.2
510.29099	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	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.6
61.26754	0.3
61.98700	8.7
69.36227	0.6
69.36628	3.0
73.02830	0.3
75.00735	0.7
79.67422	0.4
83.01247	0.8
85.02810	1.2
87.17404	0.4
89.02297	1.1
95.01284	0.4
98.20560	0.8
99.00719	0.8
101.02344	0.6
107.01260	1.0
109.02818	0.6
111.00761	1.1
113.02333	0.8
121.02807	0.5
123.04435	0.4
125.02347	0.7
133.02861	2.1
134.03668	0.7
137.02324	0.6
139.00328	0.5
145.08545	0.5
149.02324	1.4
151.00270	3.8
152.01028	0.5
153.01826	0.7
156.00533	2.6
165.01857	0.5
169.01302	0.7
175.02473	0.4
175.03911	1.2
177.01778	0.6
177.73251	0.4
178.99762	0.7
187.03848	0.4
191.05508	1.0
191.82338	0.4
193.01408	0.4
199.03859	0.5
217.04948	0.9
227.03429	0.9
239.03391	0.5
241.04849	0.5
243.02789	0.6
255.02872	0.6
256.03827	2.0
257.04324	0.5
258.19778	0.4
269.04453	0.4
269.09122	0.4
283.02377	0.7
284.03259	46.5
285.04016	100.0
286.04346	6.4
293.09323	0.5
297.04007	0.5
299.05441	0.5
327.05133	1.1
340.49738	0.4
349.31781	0.4
349.36264	0.4
362.19241	0.5
391.26749	0.5
434.16971	0.5
447.09286	99.1
448.09576	9.8
511.10446	0.7
511.19897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.5
57.03320	2.9
58.00467	2.9
59.01247	100.0
59.34916	0.9
61.98693	1.6
69.03316	1.9
71.01251	39.1
72.99174	6.2
73.02814	27.5
75.00772	2.5
78.95744	1.0
80.96379	3.0
83.01268	4.5
85.02814	17.1
87.00739	8.7
87.04375	2.1
89.02314	28.7
90.02650	1.5
93.03328	4.4
95.01257	2.1
96.95863	1.1
97.02805	1.6
97.06462	1.9
99.00748	3.5
101.02319	53.9
102.02670	2.4
103.03883	19.7
108.02052	1.9
109.02848	2.0
113.02303	9.3
114.02753	0.9
115.03893	6.9
119.03386	13.4
119.04852	1.1
121.02797	1.3
125.02338	4.3
127.03915	1.8
129.01765	1.6
131.03371	9.2
133.64828	1.1
134.03583	3.2
137.02345	7.5
140.94211	0.9
143.03394	14.5
145.04965	7.1
147.04434	16.3
149.02376	1.4
152.00995	1.9
153.01830	2.8
161.04518	2.3
161.09654	1.9
163.06026	76.1
164.06358	1.1
164.98526	1.3
171.10193	1.4
175.03871	1.4
178.02563	1.2
179.05521	3.0
180.68770	0.9
180.97682	1.5
183.13721	1.0
189.09117	1.4
190.02582	1.4
193.04918	5.0
205.07097	27.2
206.07533	1.3
209.11670	1.4
213.14877	2.2
225.14980	2.2
227.12846	1.0
229.43039	1.3
249.06238	1.2
265.09302	5.6
285.03955	1.4
341.23383	8.5
393.13782	1.2
396.95587	1.1
428.19983	1.2
447.30930	1.4
449.23779	18.6
450.24344	2.0
464.43243	1.4
465.32095	1.4
481.97516	1.1
508.35526	3.1
509.17538	3.9
509.24835	3.6
509.36438	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01250	2.2
65.03818	0.5
69.03333	0.5
69.31841	2.4
71.01262	1.4
73.02818	0.5
78.95773	0.3
83.04867	0.3
85.02812	0.5
88.43225	0.3
93.03329	50.5
94.03655	1.6
101.02317	0.8
109.06480	0.4
113.02327	0.6
121.37109	0.3
125.02305	0.5
125.41661	0.3
127.36133	0.3
134.03670	0.5
135.04422	0.4
137.02335	100.0
138.02673	2.9
145.42641	0.3
149.02344	0.4
164.04681	0.4
165.12755	1.2
171.10260	0.6
175.00262	0.8
183.13829	0.9
190.02625	1.9
191.02977	0.3
205.05002	2.5
207.10132	0.7
209.11754	1.5
209.15601	0.3
223.06161	0.8
225.11221	0.7
227.12801	1.4
265.14554	0.3
269.14053	0.4
284.03229	0.6
285.03934	0.8
293.13989	1.1
297.91992	0.3
299.02078	0.4
311.22278	2.5
371.17166	0.6
465.32153	0.3
509.20334	1.5
509.26929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94769	0.7
57.03325	38.4
59.01252	21.8
70.87177	2.5
71.01247	4.7
72.99185	1.0
73.02808	1.1
81.03332	0.6
82.02854	3.0
85.02842	1.1
87.00790	0.8
89.02316	2.1
93.03350	1.2
98.02339	0.7
99.04395	22.1
100.04700	1.0
101.02328	9.8
108.02043	0.7
109.02813	1.6
113.02322	1.0
125.02338	6.1
135.04433	1.0
140.01114	1.0
145.07617	69.9
146.07919	2.0
146.66425	0.7
151.04030	0.7
153.01830	1.2
155.03462	0.9
161.04468	9.7
170.07159	3.4
173.04518	0.7
177.68529	0.6
179.03413	0.8
183.13727	0.8
188.08226	46.9
189.08548	2.2
191.05527	0.8
193.11964	0.7
210.10370	1.1
213.10316	1.0
214.09818	38.2
215.07169	0.7
215.10117	2.0
226.09827	1.5
228.11377	2.2
238.09802	1.4
244.10866	2.7
256.10876	19.3
257.11285	2.4
268.10883	2.1
279.13501	1.1
286.12061	1.8
304.13019	30.0
305.10901	0.7
305.13733	1.3
322.14078	100.0
323.14362	7.9
327.20572	0.8
364.15179	2.6
365.14709	4.0
405.15521	0.8
449.15762	1.1
465.17654	1.1
466.18365	2.4
467.18289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66782	0.4
56.41528	0.5
57.00609	0.5
57.03297	0.6
59.01251	10.2
60.07595	0.4
61.18840	0.5
71.01252	5.5
72.99152	0.6
73.02816	1.6
74.03256	0.5
78.95768	0.7
83.01284	0.6
85.02811	1.2
87.00762	0.7
89.02293	2.0
91.01765	2.9
93.03340	2.2
98.20501	0.9
99.00783	0.5
101.02334	2.3
107.04858	0.8
108.02012	0.7
113.02344	1.6
119.01260	6.1
119.03345	0.9
121.02833	3.4
123.04509	0.4
125.02296	0.6
133.02847	0.7
134.03644	4.6
135.04417	4.3
137.02322	1.7
147.00755	6.2
147.04422	2.9
149.01193	1.0
149.02336	11.8
152.01022	0.9
153.01776	0.6
161.02325	1.2
162.03131	1.0
163.03928	5.0
164.04681	12.2
165.01871	2.6
165.05089	0.5
175.00281	38.3
176.00615	1.8
177.01688	0.7
179.03372	0.7
179.07065	3.2
189.01877	0.9
190.02643	100.0
191.02974	4.2
193.01375	0.7
193.05008	3.2
205.04999	92.7
206.05344	3.6
207.02962	2.4
208.03508	0.9
209.11766	1.5
223.06053	25.7
224.06439	1.2
224.15039	0.6
225.11287	0.8
247.05940	0.5
285.04013	0.6
299.02032	0.6
494.17902	3.1
508.35919	0.8
509.20239	60.0
509.36099	1.6
510.20547	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	509.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.7
59.01247	3.8
61.45750	0.5
68.02403	0.8
69.39945	3.7
71.01250	3.7
72.30183	0.5
73.02814	1.1
75.00726	0.6
81.00828	1.4
85.02830	1.4
87.00754	0.7
89.02322	1.1
93.03337	0.6
97.00294	2.7
98.01096	2.3
98.20496	0.9
99.01875	16.5
99.04391	0.6
101.02333	2.0
109.06515	0.6
110.03500	1.5
113.02338	1.5
114.02985	0.8
119.01278	1.2
119.03381	0.8
119.04932	1.0
121.02833	2.5
124.01438	0.9
125.02354	0.5
134.03682	0.9
135.04408	1.0
137.02277	0.6
139.02478	3.4
140.03296	16.5
141.04076	100.0
142.04433	1.2
149.02336	9.9
150.03105	0.8
152.04568	0.7
153.01839	0.7
153.04106	1.0
155.05588	0.7
164.04704	8.6
165.05478	1.7
169.12328	0.8
175.00256	6.5
175.03928	1.1
179.07068	2.0
190.02626	19.6
191.03246	3.1
191.05560	2.4
192.04163	0.6
193.01260	0.7
194.02013	0.6
197.11751	1.5
202.20724	0.6
205.04994	24.8
206.05479	1.1
223.06084	9.3
224.06403	0.5
285.08353	2.0
297.04126	0.8
303.09445	26.3
304.09787	1.2
317.11093	0.8
327.04910	2.2
333.11929	1.1
347.11295	0.6
347.15036	2.8
348.15439	0.7
367.10300	19.0
368.10651	1.7
424.21561	0.7
447.09137	1.4
455.60638	0.6
477.19684	0.8
509.15189	28.3
509.21307	1.0
510.15350	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	509.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.9
59.01241	1.4
65.00204	0.6
69.28902	2.0
71.01254	0.9
72.02032	0.6
72.74673	0.2
72.99185	0.3
73.02846	0.3
74.71356	0.2
83.01237	0.4
85.02825	0.7
87.04388	9.6
89.02349	0.5
93.03348	0.4
93.75608	0.2
95.01290	1.1
98.19767	0.4
101.02338	0.4
106.66149	0.2
109.99986	1.1
111.00761	7.4
111.04430	0.2
113.02328	1.6
123.00726	0.3
124.01548	0.9
125.02346	1.2
136.98708	0.8
137.02350	0.9
137.99538	0.3
139.00262	7.9
139.03900	0.6
140.01053	77.7
141.01378	2.3
148.01651	0.2
149.02322	0.2
150.03142	0.6
151.03896	0.5
152.01051	0.4
152.07059	0.3
153.01910	0.3
154.02654	0.4
155.03406	100.0
156.03734	3.2
164.04584	0.3
165.01935	0.3
165.05487	0.5
165.99004	0.6
167.03395	0.9
176.01085	2.6
177.01700	0.4
180.00551	0.3
181.05217	0.2
190.02663	0.3
191.03429	3.2
191.05316	0.3
192.00600	0.8
193.01364	0.4
207.02946	0.7
245.04361	0.2
271.02524	0.2
271.06107	0.2
272.03238	0.3
273.04007	0.4
285.03940	0.2
330.57932	0.2
331.04364	0.4
332.05136	0.4
347.07706	3.3
474.23938	0.2
494.10608	0.9
509.12897	13.5
510.13214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.8
57.03319	4.4
58.00458	1.0
59.01248	18.3
60.53242	0.3
60.76800	0.3
63.97657	0.3
68.99693	0.4
69.03329	1.4
69.29223	3.6
71.01250	35.1
72.01575	0.3
72.99169	2.0
73.02815	13.1
74.03152	0.3
75.00742	1.4
78.95779	0.8
83.01251	7.6
84.02049	0.4
85.02817	19.6
85.16830	0.3
85.99947	0.7
87.00743	2.1
89.02305	3.1
93.03311	0.6
95.01260	3.2
96.95863	0.3
97.02818	0.8
99.00757	5.5
101.02316	30.0
101.05895	0.3
102.02705	0.5
102.20983	0.4
107.01312	0.3
108.02037	0.5
111.00762	5.1
113.02323	12.4
113.05958	0.4
114.02674	0.5
119.03371	0.6
121.02823	0.4
123.00773	0.4
123.04438	0.4
125.02332	1.2
129.01848	1.5
131.03413	0.4
133.02820	0.4
135.04414	0.7
137.02316	1.0
139.03889	0.4
141.01814	0.7
141.12721	0.6
143.03418	1.4
149.02336	0.6
152.01047	0.6
153.09019	0.4
157.12212	0.8
157.33704	0.3
159.02875	3.8
159.04099	0.6
160.01593	0.6
161.03188	0.6
161.04457	9.5
163.03944	0.6
168.00592	0.4
175.03923	1.0
178.02684	0.4
179.03412	0.5
183.13808	0.4
190.02467	0.5
193.04956	0.4
199.03952	0.4
268.07291	0.4
269.04517	0.3
284.03198	0.8
285.03979	2.8
297.24414	0.4
299.25925	2.3
314.03976	0.6
345.30020	8.3
346.30295	0.7
426.67514	0.4
463.10147	1.8
507.35342	100.0
508.28265	0.7
508.35681	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	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.3
56.01337	0.5
57.03330	6.4
58.00468	2.6
59.01248	51.6
59.14126	0.5
60.01585	1.0
61.01693	0.9
61.60115	0.6
63.41465	0.5
68.99674	0.8
69.03309	1.6
70.32025	1.2
70.32420	1.4
71.01250	71.2
72.01566	1.1
72.99181	5.1
73.02819	18.4
75.00753	1.7
78.95774	3.0
79.40987	0.5
83.01252	10.6
83.04905	0.7
84.02048	0.6
85.02819	31.3
85.06441	0.7
85.99982	0.5
86.03144	0.8
87.00740	3.6
89.02312	22.4
93.03313	0.8
95.01257	5.3
96.95881	0.8
97.02837	1.4
99.00757	7.8
101.02318	51.3
102.02657	1.4
108.02071	0.7
109.02807	0.7
111.00752	1.8
113.02323	31.0
114.02653	0.6
119.03383	8.8
121.48624	0.5
125.02351	2.1
127.11182	1.5
129.01845	1.6
131.03378	0.7
135.04402	1.3
139.00206	1.0
143.03410	3.9
147.04361	0.6
149.04495	0.8
152.99443	0.9
153.01816	1.0
159.02879	6.1
161.04459	28.7
162.04784	1.4
165.12785	1.0
179.05542	2.9
201.54167	0.5
205.03467	1.2
213.18497	1.7
291.19537	0.8
299.01984	0.6
299.26083	1.3
309.20816	0.8
315.47800	0.5
345.30054	22.6
346.30493	1.7
507.35315	100.0
508.26920	2.0
508.35583	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	507.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64360	0.1
53.11362	0.1
54.85594	0.1
57.01535	0.2
59.01249	1.7
70.94456	0.3
71.01247	0.4
71.24794	0.2
80.23946	0.2
89.02314	0.5
91.03904	0.9
93.03336	0.6
96.95944	0.2
99.08077	0.2
108.02006	0.2
117.03348	20.8
118.03690	0.5
119.04914	31.5
120.05246	1.1
121.02841	3.9
123.04419	1.3
133.02817	1.0
134.03616	0.4
145.02853	100.0
146.03183	4.2
162.03101	0.9
163.03917	21.4
164.04228	1.2
237.07632	0.2
269.21185	1.8
287.22278	8.1
288.22672	0.5
347.25888	0.5
372.40735	0.1
415.24884	14.3
416.25293	1.8
433.25931	15.5
434.26212	2.0
507.29617	59.6
508.29922	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	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01511	0.3
55.01756	4.2
57.03322	3.9
58.00448	0.9
59.01249	16.0
61.98680	0.5
68.99675	0.4
69.03314	1.0
69.34219	0.5
69.34631	2.0
71.01250	31.5
72.99167	1.8
73.02815	12.5
73.03233	0.6
75.00742	1.2
76.19891	0.2
83.01254	8.2
83.04872	0.3
84.02060	0.4
85.02819	19.3
85.99954	0.9
86.03120	0.4
87.00752	2.3
89.02316	2.2
93.03340	0.3
95.01262	2.7
97.02818	1.0
99.00751	5.9
99.01342	0.5
101.02316	27.6
107.18478	0.2
108.02010	0.3
109.02812	0.4
111.00759	5.6
113.02321	12.1
114.02686	0.3
115.03897	0.3
125.02308	1.0
129.01811	1.1
135.04431	0.4
141.01830	0.8
141.12665	0.3
143.03357	1.1
159.02905	2.8
160.01471	0.3
161.04454	6.8
161.05791	0.3
162.04817	0.3
162.13461	0.3
163.03864	0.3
171.13750	0.3
205.03421	0.5
210.19400	0.3
211.16957	0.4
213.18506	1.7
243.15923	0.7
274.73236	0.3
286.60257	0.3
299.25931	2.1
309.47705	0.3
327.29260	0.3
345.30066	8.3
346.30255	0.4
359.28024	1.6
487.25348	0.3
507.35345	100.0
508.35684	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	507.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27375	0.3
59.01249	1.9
61.98709	0.4
69.13345	0.3
69.59574	2.3
71.01251	0.4
85.46449	0.3
93.03307	0.4
98.19785	0.6
106.64954	0.4
117.03339	21.8
119.04909	33.9
120.05247	0.8
121.02848	3.8
123.04406	0.7
133.02811	0.8
145.02847	100.0
146.03175	3.8
162.03162	0.9
163.03908	22.6
164.04240	1.1
177.09142	0.3
177.74864	0.4
193.55737	0.4
198.69890	0.4
255.02974	0.5
269.21185	2.1
283.02426	0.5
284.03384	0.8
287.22284	8.3
288.22571	0.6
297.04056	0.6
298.05020	0.7
299.05579	0.8
330.13007	0.4
347.25726	0.5
360.89243	0.4
415.24866	13.5
416.25348	1.5
425.14935	0.7
433.25925	19.9
434.26337	1.8
507.29596	64.9
508.29953	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	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.5
71.57766	0.6
74.21364	0.4
78.95781	9.1
87.77371	0.4
88.93288	0.5
96.96844	0.8
105.69395	0.6
112.30456	0.5
133.02892	0.7
152.99487	15.6
161.02307	1.0
161.29738	0.5
171.00554	1.0
206.26570	0.6
227.03236	2.2
232.05481	0.5
245.04308	1.4
261.22299	0.6
279.23282	100.0
280.23621	9.2
338.95041	0.5
507.27237	26.8
508.27444	3.8
522.81152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69089	0.4
55.01754	0.5
57.03320	1.0
59.01254	15.5
61.98704	1.0
69.03326	0.8
69.55671	2.7
69.56093	1.0
71.01257	6.6
72.99176	1.2
73.02816	1.5
74.88229	0.4
75.00723	0.6
78.95783	0.6
83.01259	0.9
85.02846	2.9
87.00769	1.3
89.02321	2.8
92.58842	0.5
93.03340	1.6
95.01246	1.1
99.00754	1.1
99.04459	0.5
101.02328	5.7
108.02035	1.1
109.02816	2.7
113.02335	3.6
119.03397	1.1
119.04881	0.5
121.02740	0.6
122.28521	0.5
123.00760	0.5
124.01544	0.5
125.02329	1.1
135.04414	1.6
137.02328	0.8
152.01016	1.0
153.01799	0.8
160.01590	0.9
161.02368	0.5
161.04445	2.6
165.12756	0.6
167.14211	0.6
173.04388	0.7
177.01750	0.5
179.03392	0.8
183.13829	6.1
191.05484	0.5
193.04887	0.7
193.12265	1.7
202.96826	0.5
205.05026	0.5
207.52122	0.4
211.13342	100.0
212.13660	6.0
253.09288	10.8
254.09663	0.6
303.08731	0.7
315.17880	2.2
316.18527	0.6
375.27371	1.1
447.22305	6.0
448.22482	0.6
507.23383	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46280	1.2
59.01252	9.1
60.83016	1.2
69.26466	14.9
69.38432	1.3
71.01246	4.2
71.04908	1.2
78.95792	2.1
85.02837	2.1
93.03281	1.5
95.04913	1.5
96.95878	3.6
97.02787	1.7
101.02339	3.3
125.09600	1.5
142.36632	1.7
149.02467	1.5
195.49298	1.2
209.11760	2.7
211.13287	2.7
283.58215	1.4
291.19623	12.7
299.53961	1.6
309.20700	100.0
310.21008	7.3
319.22177	1.5
437.97736	1.6
507.24762	3.9
507.35260	5.4
508.21072	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	507.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	4.8
57.03312	9.1
59.01249	62.8
61.98695	6.8
68.60336	4.4
71.01250	49.2
71.58192	6.9
71.58543	5.4
72.99182	4.8
73.02815	10.1
73.44984	3.9
78.95756	8.3
83.01256	5.7
83.04857	5.7
85.02842	25.0
85.73439	5.1
89.02300	15.7
95.01259	6.2
95.74903	4.2
96.95898	4.5
101.02328	34.9
103.59037	5.5
104.16033	4.6
109.02831	7.7
110.50626	4.2
111.08017	8.3
113.02312	19.9
119.03369	4.8
161.04391	14.5
171.10172	4.8
197.11763	37.5
199.63971	4.9
209.11668	7.7
211.13371	14.5
291.19672	10.1
309.20667	100.0
310.21127	9.1
345.30017	23.8
489.31430	5.4
507.24490	5.7
507.28622	6.2
507.35614	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.2
57.03325	1.4
58.00462	3.7
59.01249	81.8
60.01600	0.9
67.01758	0.8
69.03323	8.5
71.01251	53.4
71.58363	0.6
72.99188	5.4
73.02821	26.3
75.00752	1.0
81.03344	5.3
83.01269	4.9
83.04875	1.1
85.02824	22.7
86.03156	0.7
87.00744	3.8
89.02316	25.7
90.02695	0.6
90.86481	0.6
93.03329	2.6
95.01263	3.5
97.02827	9.3
99.00770	3.2
99.04396	1.3
101.02322	43.9
102.02666	0.7
103.03890	32.3
107.01272	0.8
108.02052	19.0
109.02837	3.1
111.00788	0.6
113.02339	5.4
115.03915	1.5
119.01261	2.0
119.03386	13.0
119.04813	0.8
121.02840	22.5
122.03670	0.9
123.00770	5.7
124.01567	6.7
125.02338	47.9
126.02688	1.6
126.07300	0.5
127.03859	3.9
131.03397	1.9
134.03603	2.7
135.04440	2.0
137.02328	2.4
138.03104	1.2
139.00311	0.6
139.03922	1.5
143.03375	5.6
145.04951	5.1
147.00786	1.5
147.04427	0.8
149.02367	7.6
149.05939	0.7
149.99471	6.3
150.03079	2.2
151.00226	1.4
152.01074	1.7
153.01872	1.4
155.03374	0.8
160.01530	1.9
161.02399	1.0
161.04425	0.8
161.05937	0.6
162.03093	0.9
163.03960	1.1
163.06036	19.8
164.04729	5.9
165.01819	3.5
165.05420	0.6
166.02609	7.1
167.03377	1.1
168.00552	12.4
169.01224	1.2
169.06445	1.2
173.04390	0.6
175.00282	14.4
175.03911	2.6
177.01811	0.9
178.02637	1.0
179.03433	1.6
179.07037	1.2
181.04932	2.1
185.06017	2.3
187.06102	0.8
190.02638	37.7
191.03212	2.4
193.04909	1.6
197.05966	0.8
198.06793	38.5
199.07570	100.0
200.07886	4.0
205.05011	40.1
205.07001	2.6
206.05379	2.2
207.02983	0.9
208.03732	0.8
209.04449	0.8
213.05522	3.9
217.05034	0.7
223.06030	9.8
229.07120	1.1
230.83626	0.6
241.08647	2.0
247.05984	0.6
247.08209	12.2
260.41797	0.6
271.06079	0.7
283.06009	0.7
285.03885	1.6
286.04770	0.9
287.05597	2.1
288.06366	8.8
289.06598	0.7
300.02756	0.6
303.08719	17.0
304.09122	1.1
307.10315	9.3
313.05533	1.1
331.06500	3.1
332.07214	0.6
335.21689	0.7
337.05505	1.1
352.07895	2.1
353.08328	0.6
367.10336	17.8
368.10748	1.2
387.95291	0.7
389.25488	3.0
477.19351	0.7
492.12543	0.9
507.11395	11.3
507.27625	1.3
508.11520	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91653	0.1
59.01244	1.7
61.98709	0.2
71.01244	0.8
73.02811	0.3
75.00739	0.2
85.02821	0.4
87.00784	0.2
89.02319	0.4
93.03332	0.3
96.95795	0.1
99.00752	0.2
101.02313	0.5
108.01357	0.2
108.02053	2.6
109.02869	0.2
111.00740	0.1
113.02325	0.3
119.03387	0.1
119.04886	0.3
121.02880	0.5
122.03609	0.3
125.02354	0.2
129.01787	0.1
132.02028	0.1
134.03616	0.3
135.02898	0.2
135.04449	0.2
137.02325	0.4
140.07072	0.1
145.02882	0.1
149.05991	0.1
151.00291	0.1
152.07117	0.1
153.01807	0.3
160.01567	0.4
161.02299	0.1
161.04507	0.2
163.03957	0.2
168.00571	0.1
168.07732	0.1
169.01183	0.1
171.08052	0.2
173.04410	0.2
175.03923	0.6
181.06532	0.1
186.08789	0.2
186.12398	0.3
191.05496	0.2
193.05034	0.1
198.06807	1.4
199.07574	100.0
200.07919	5.4
210.12399	0.4
212.92743	0.1
228.13470	0.4
273.84299	0.1
284.03156	0.2
285.04092	0.3
307.10849	0.2
331.06702	0.1
427.25488	1.4
506.34213	0.2
507.18338	2.1
507.30460	0.1
508.19095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1864
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
50.90533	1.1
59.01253	8.6
68.56773	1.1
69.03336	1.2
71.01236	5.4
71.58161	1.2
71.58553	1.5
72.99163	1.5
73.02800	1.8
83.01259	1.5
85.02829	4.4
87.00755	1.7
89.02273	2.0
93.03321	4.1
95.01249	2.2
99.00758	2.4
101.02313	1.8
101.05923	1.1
105.20667	1.0
106.90934	1.1
108.02061	3.1
108.44765	1.1
109.02837	4.2
113.02347	3.5
113.49499	1.2
115.00243	1.5
121.02835	4.2
122.03597	1.5
123.00742	3.3
123.04414	2.7
125.02338	5.8
126.02653	1.1
134.03598	2.5
135.04369	4.3
137.02338	3.0
139.03911	1.4
145.02847	2.8
146.03671	1.4
149.02324	2.7
150.03069	1.4
152.00946	1.5
153.01825	4.0
161.02341	1.8
163.03914	1.4
165.01862	1.5
165.05479	4.2
167.03383	3.1
167.07050	5.9
168.00520	2.0
169.01253	1.4
172.53775	1.1
173.04413	3.4
179.03418	2.4
191.03682	1.8
191.05490	6.3
193.01311	1.9
193.04967	4.1
195.06526	1.9
209.08109	1.5
210.04050	1.4
214.02750	1.4
225.05374	1.2
225.09109	1.1
239.07088	1.9
251.07108	3.5
253.05135	1.5
255.06714	6.3
256.10977	6.2
265.08792	1.8
267.06555	4.9
267.10294	1.6
269.08105	4.3
283.09790	4.5
284.10629	5.4
285.04126	1.5
295.09854	6.6
296.10504	9.3
297.11331	4.6
299.09091	1.9
300.09991	24.4
301.10400	1.9
310.08597	4.3
311.09256	19.2
312.10001	34.1
313.10571	2.4
315.08978	2.1
315.12347	57.0
316.12680	4.0
327.12347	100.0
328.12686	8.9
329.02887	2.9
330.08057	1.7
331.06647	4.7
341.10010	1.4
344.05386	1.4
345.06015	1.9
345.13364	9.7
409.12051	1.2
411.21347	1.7
477.17178	5.9
489.17621	2.1
507.11496	10.1
507.17862	10.5
508.11185	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	507.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11755	0.4
59.01242	4.6
67.01752	0.5
69.03291	1.0
71.01252	3.4
71.58287	0.8
72.99168	0.6
81.03350	0.7
83.01277	1.1
83.65270	0.4
84.04414	0.5
85.02799	1.8
86.39742	0.5
87.00742	1.1
88.03922	0.6
88.34338	0.4
89.02284	1.3
93.03308	2.0
95.01233	0.7
95.03635	0.8
95.04886	0.9
96.04426	0.6
96.08015	0.7
97.02803	0.5
99.00781	0.5
99.04391	0.7
101.02301	1.3
106.06502	1.6
108.02071	0.7
108.58862	0.5
109.02814	1.2
112.03951	0.7
113.02319	1.3
115.03912	0.5
116.83128	0.5
119.03402	0.5
119.04894	0.9
120.04417	0.7
121.02868	1.1
122.03638	0.5
122.05998	1.8
123.00745	0.8
123.04362	0.7
124.01570	0.6
124.07565	3.0
125.02361	3.0
125.22105	0.5
132.04442	23.3
133.02864	0.6
133.05251	10.1
133.58569	0.6
134.03589	1.4
134.06009	3.2
135.04451	1.3
135.30841	0.6
137.02333	1.0
138.05522	0.6
139.00288	1.2
145.02737	0.6
148.03958	0.9
149.02330	0.7
150.03078	0.9
150.05467	1.0
152.00995	0.7
153.01854	1.3
161.02362	1.1
161.04477	0.6
163.03889	1.1
164.37914	0.4
165.04221	17.3
165.05516	1.5
166.02617	0.6
167.03432	4.0
167.07104	0.8
168.00545	0.8
169.01253	0.7
169.21016	0.5
173.04456	2.1
175.00305	0.6
176.03485	1.3
176.07095	1.0
177.04193	2.4
178.02599	0.6
178.05000	2.1
179.03404	1.2
181.04927	0.8
186.09145	1.6
190.02583	1.6
191.03519	0.8
191.05537	3.2
193.04971	1.5
195.06511	0.8
197.04454	0.9
205.04964	1.6
209.03117	4.2
213.06628	1.4
214.12297	3.0
215.11801	4.4
226.07294	1.0
229.09802	2.5
240.10278	1.2
241.09827	2.7
249.06203	0.7
255.11241	1.0
256.10962	0.5
257.12918	18.4
258.13220	1.7
267.06943	1.3
268.08072	0.6
273.08344	0.6
283.10898	9.5
284.10965	0.9
295.09604	0.6
296.10178	0.6
300.10028	2.7
301.11926	9.3
302.11996	1.0
311.09140	1.3
312.09943	2.4
315.12341	5.2
327.12570	7.3
331.06674	2.1
341.10300	0.8
345.10880	100.0
346.11249	7.3
367.10388	0.7
429.20688	0.5
477.10715	0.5
477.18039	0.6
507.16397	8.2
508.16251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75302	0.5
59.01253	1.9
69.24547	2.7
69.24978	3.4
71.01242	3.1
72.99183	2.2
73.02808	0.9
75.00733	6.6
78.95763	0.9
83.01257	0.9
85.02827	2.6
87.00744	22.6
89.02327	1.3
95.01232	0.7
97.02850	0.7
98.20559	1.3
99.00767	1.9
101.02312	1.7
105.01814	19.6
108.02045	2.4
110.98398	0.6
117.01799	0.9
119.03399	0.7
119.04906	0.7
123.04395	0.8
129.01810	1.0
135.02898	0.7
135.04420	1.4
137.02338	1.6
145.01295	0.6
147.02875	2.4
152.01012	1.5
163.06036	0.6
165.03951	100.0
166.01633	0.6
166.04253	2.6
180.88486	0.7
191.02017	0.9
191.05556	1.1
198.01619	0.6
200.74933	0.6
209.02907	3.5
214.09406	0.6
315.07300	2.4
320.97330	0.6
375.68042	0.7
423.16190	0.6
507.13354	3.8
508.11481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
55.57762	0.6
57.03325	0.8
59.01249	13.6
60.08575	0.5
68.99668	0.9
69.03313	2.6
69.48324	1.5
69.48728	4.2
71.01250	5.3
72.13451	0.6
72.99175	0.8
73.02817	2.0
75.00749	2.0
81.03319	0.9
83.01262	1.9
83.04892	0.8
85.02822	3.4
87.00768	1.0
89.02301	2.1
89.03859	0.6
93.03340	2.6
94.02845	1.6
95.01250	4.1
97.02829	2.3
98.19795	1.2
98.65936	0.5
99.00751	1.4
101.02338	1.5
107.01276	0.6
108.02049	3.2
109.02824	1.6
111.00742	1.0
113.02319	3.1
114.29531	0.6
117.03358	0.8
119.04911	2.0
121.02856	1.0
123.00765	27.1
124.01565	16.8
125.02334	47.0
126.02676	1.0
129.01901	0.9
131.03377	0.7
134.03622	9.6
135.04387	1.0
137.02313	3.0
138.01868	1.4
139.00281	0.6
139.03873	0.9
139.11186	3.6
141.04158	0.9
145.02948	0.8
149.02328	1.1
149.05966	1.0
149.98282	1.2
149.99489	22.8
151.00240	2.7
151.03891	1.3
152.01003	2.3
153.01808	0.9
155.03418	0.9
160.01544	2.3
161.02306	0.8
163.03871	1.6
164.98100	0.7
166.99773	1.0
167.03404	6.9
168.00549	56.1
169.01299	5.0
173.04469	1.9
175.03886	0.9
179.03336	0.7
181.12175	1.7
183.10179	3.3
191.03477	1.1
191.05534	3.1
192.05942	0.6
193.05032	2.9
195.02928	0.9
199.13358	0.8
212.33272	0.5
225.11316	0.9
243.02982	0.9
243.12410	1.1
255.02986	0.9
256.03049	0.7
269.06754	2.3
271.02454	2.4
272.02805	1.8
273.03085	2.4
300.02631	1.9
301.03183	3.9
302.03238	3.6
313.05649	16.6
314.00754	0.7
314.06058	0.9
317.15878	1.0
327.08643	1.4
329.02939	2.3
330.03717	2.4
331.06686	100.0
332.07169	5.2
345.06046	4.5
357.09729	0.7
371.24576	0.8
389.25284	1.3
431.19113	0.8
447.49283	0.7
475.18359	1.2
507.11252	15.2
507.20813	13.5
508.11264	1.7
508.21713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1149
Annotation	Moghanin A
Peak:m/z	Relative Intensity
51.26961	0.3
52.45969	0.4
55.94366	0.4
56.71306	0.4
57.03307	0.4
57.25562	0.3
59.01249	6.2
67.01769	0.6
69.03321	3.1
71.01250	3.9
71.20670	0.4
71.58112	0.7
72.42654	0.4
72.99184	0.9
73.02818	1.8
75.00745	1.3
81.03345	1.0
83.01247	2.1
85.02819	2.4
87.00733	0.8
89.02310	1.5
93.03323	2.3
95.01271	2.9
97.02814	3.4
99.00746	0.9
101.02330	1.8
107.01266	1.1
108.02042	2.8
109.02859	2.9
111.04408	0.9
113.02341	1.6
117.03343	0.6
119.04901	1.4
121.02838	1.3
123.00762	7.5
124.01549	21.0
125.02332	37.8
125.05956	0.6
126.02673	0.7
132.02068	2.2
133.02838	1.4
134.03633	7.4
135.04356	0.7
136.01552	0.6
137.02339	3.8
139.00269	0.7
139.03923	1.3
145.02811	0.6
149.02324	1.9
149.05981	1.3
149.99487	33.4
150.03140	0.9
151.00278	3.0
151.03929	0.9
152.01030	2.2
152.39175	0.4
153.01843	5.6
160.01572	11.1
161.02368	2.0
161.04482	0.4
163.03906	2.7
165.01819	0.7
166.99873	0.4
167.03413	1.3
168.00548	58.6
169.01292	5.0
173.04443	2.5
175.00319	1.0
175.03914	14.7
176.01091	0.9
176.04369	0.7
177.01845	0.5
177.05397	0.5
178.02576	0.7
179.03392	1.5
190.02641	1.8
191.03619	0.9
191.05566	2.2
191.07106	0.4
193.01303	0.5
193.04977	5.0
199.13313	0.6
201.11240	0.5
205.05061	2.6
211.02417	0.6
215.12756	0.7
225.11218	1.3
284.03284	0.8
285.03906	0.7
299.05585	0.8
313.05670	3.9
323.07568	0.6
327.08765	0.7
327.12354	0.7
331.06693	18.5
332.07025	0.8
337.09210	2.2
367.10376	1.5
389.25473	2.3
440.52850	0.5
444.74600	0.5
461.20123	0.7
475.08652	0.5
489.10223	1.7
507.11353	100.0
507.24176	3.6
508.11621	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	507.1141
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
50.48560	0.2
54.03265	0.2
59.01250	3.4
65.00169	0.3
69.03331	0.9
69.79708	1.0
69.80118	0.5
71.01253	1.8
73.02832	0.5
81.03344	0.6
83.01268	0.7
85.02827	0.4
87.00751	0.3
89.02328	0.5
89.91113	0.2
93.03313	0.6
95.01262	3.1
97.02817	1.8
101.02333	0.6
107.01240	0.5
108.02071	0.5
109.02814	0.8
113.02344	0.4
117.03343	0.9
119.04868	0.4
120.36245	0.3
121.02827	0.7
123.00768	24.7
124.01566	13.1
125.02336	34.7
126.02688	1.1
134.03642	6.5
135.04419	0.4
137.02357	1.2
138.01860	0.3
139.00304	0.4
139.03885	0.3
149.02338	0.7
149.99490	18.0
150.03018	0.4
151.00299	1.7
151.03902	0.6
153.01849	0.5
160.01590	0.5
161.02345	0.7
163.03931	0.9
165.01826	0.4
166.99779	0.5
167.03415	6.2
168.00554	45.8
169.01283	4.4
173.04437	0.6
175.03917	0.5
178.02637	0.3
179.03447	0.5
181.01477	0.3
191.03444	0.9
191.05521	1.0
193.01334	0.6
193.04996	2.0
195.02948	0.8
201.08693	0.3
211.02383	0.3
269.06644	2.0
313.05630	13.4
314.05988	1.0
315.01434	0.5
330.03586	0.8
331.06689	100.0
332.07022	5.1
345.05969	1.3
364.89099	0.3
387.20193	0.3
437.03983	0.3
444.09073	0.3
447.22354	0.5
507.11359	18.2
508.11575	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18028	0.2
51.70921	0.2
55.01737	0.5
57.03333	1.0
58.00460	0.5
59.01246	10.7
60.01583	0.6
63.11371	0.2
65.03822	0.6
68.99673	0.2
69.03329	0.5
69.34554	0.2
69.34843	2.1
71.01250	13.2
72.01585	1.1
72.99181	2.1
73.02821	2.6
74.03162	0.4
75.00735	2.5
78.95788	0.4
83.01252	1.4
83.04899	0.3
84.01598	0.2
85.02820	7.9
86.03145	0.6
86.64601	0.2
87.00732	1.3
88.01048	0.2
89.02314	5.5
90.02654	0.5
93.03330	53.9
94.03653	1.4
95.01266	1.7
97.02764	0.3
99.00763	2.6
100.31628	0.2
101.02319	7.7
102.02663	1.0
103.00256	0.7
111.00748	0.4
113.02327	8.8
114.02681	0.9
115.00238	0.3
117.01794	0.3
119.03394	1.9
119.04874	0.3
120.03743	0.5
125.02311	0.4
127.03938	0.3
129.01837	0.7
131.03374	0.6
135.04427	0.7
137.02338	100.0
138.02664	3.0
139.00262	0.3
143.03403	0.6
151.03825	0.2
157.01308	0.2
159.02847	0.4
160.01599	0.3
161.04460	2.4
162.04784	0.7
167.10843	0.2
175.02408	0.9
175.03912	0.4
179.05524	0.6
183.13881	0.3
187.30836	0.2
190.02641	0.3
193.03458	2.6
193.05034	0.4
209.11935	0.2
231.05127	0.6
249.06120	10.4
250.06454	0.3
330.68872	0.3
343.28632	0.5
344.28833	1.5
345.29953	0.8
351.07260	0.3
369.08221	9.7
370.08667	0.7
387.09473	1.3
468.14221	0.2
506.34177	5.7
506.41452	0.4
507.11172	4.8
507.35193	6.0
508.11871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	5.5
57.03325	5.8
58.00465	5.2
59.01247	94.5
59.73209	0.5
61.35666	0.5
69.03313	1.0
71.01250	100.0
71.04888	2.2
71.27853	0.5
72.01569	0.6
72.99167	5.5
73.02814	20.6
75.00737	1.3
83.01247	12.0
83.01705	0.9
83.04887	3.4
85.02817	38.9
86.03139	0.7
87.00749	6.8
89.02311	53.3
93.03316	1.0
95.01257	7.3
95.39796	0.5
97.02822	1.8
97.06445	1.2
99.00755	8.5
99.94508	0.6
101.02315	68.5
102.02668	1.4
110.26119	0.6
111.00767	1.6
113.02324	40.5
114.02645	1.0
119.03381	26.9
123.08065	0.7
125.02341	2.6
125.09612	0.8
128.73897	0.6
129.01826	1.1
131.03427	2.0
137.02339	1.4
143.03403	6.2
149.04472	1.8
149.13280	2.1
153.01830	0.6
157.12218	4.9
159.02885	6.9
161.04454	28.9
162.04819	1.0
171.13826	2.4
176.60487	0.6
179.04039	1.0
179.05524	8.9
179.06982	1.1
191.05501	0.7
205.03473	1.2
209.11745	7.3
209.15341	0.8
253.09317	0.6
313.27426	0.9
325.27444	1.0
343.28497	25.5
344.28806	2.4
445.31665	0.7
505.33820	86.7
506.34048	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	505.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.8
57.03316	5.5
58.00467	1.7
59.01249	24.9
69.03315	1.2
69.97227	0.5
71.01250	46.9
71.33095	0.6
71.58064	1.0
72.99192	2.9
73.02816	17.7
75.00735	1.6
78.95779	2.6
81.31423	0.6
83.01250	10.3
83.04900	1.5
85.02824	27.7
85.99982	1.1
86.03181	0.6
87.00750	3.2
89.02319	5.2
93.03338	1.4
93.06959	2.9
95.01259	4.5
97.02837	2.0
99.00750	7.5
101.02318	41.1
102.02695	0.7
111.00758	5.6
111.08057	0.6
113.02322	19.1
119.03394	2.8
121.02831	1.5
125.02325	2.0
125.07082	0.7
129.01811	2.2
135.39038	0.6
137.02303	1.9
138.30717	0.6
143.03380	2.2
143.10666	1.7
153.01825	0.6
159.02893	4.1
161.04456	14.3
165.12679	0.8
165.33723	0.7
175.71332	0.6
179.05492	0.6
179.19948	0.6
185.15356	0.6
211.16985	1.3
213.18575	3.6
234.90590	0.6
291.07834	0.7
292.07877	1.0
306.09866	1.0
307.10449	0.8
313.27411	1.1
343.28491	12.8
344.28906	0.8
351.09409	1.2
357.26389	2.4
375.23828	8.8
376.24088	0.7
445.31943	1.0
473.15518	0.7
475.32834	1.5
487.32849	0.9
505.33813	100.0
506.26028	1.1
506.34012	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	505.3019
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
53.54679	0.6
57.03311	3.4
58.52952	0.7
59.01252	18.6
67.01745	1.1
68.99684	2.0
69.03314	1.4
70.44957	2.9
71.01253	19.8
71.88793	0.7
72.99180	6.5
73.02813	1.5
75.00743	21.1
83.01238	0.8
83.04977	0.9
84.00816	0.8
85.02817	20.3
86.03130	0.7
87.00750	8.7
89.02334	3.6
93.03312	0.8
95.01255	5.1
99.00746	12.2
103.00246	2.3
113.02329	22.9
115.00254	2.7
117.01818	3.3
129.01814	2.2
135.01732	0.7
151.03813	0.8
157.01328	1.0
161.11232	0.8
175.02396	3.0
185.02069	0.7
189.03914	0.7
231.05072	1.2
249.06111	18.4
249.08542	1.5
255.23270	100.0
256.23587	8.2
267.07245	3.1
279.23248	3.3
447.25439	1.4
487.29227	3.0
505.30164	96.4
506.30411	11.1
506.37225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Amoritin
Peak:m/z	Relative Intensity
55.97496	0.4
59.01245	2.3
67.80672	0.5
71.01265	0.5
76.16911	0.5
78.95771	28.6
94.29776	0.5
96.96851	2.4
105.90172	0.4
150.97916	1.0
152.99481	40.8
166.72598	0.5
171.00528	2.6
227.03178	5.5
245.04300	1.7
259.20596	0.5
277.21704	100.0
278.22064	7.0
323.33856	0.4
328.92920	0.5
413.20789	1.3
505.25696	60.6
506.26086	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	505.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.1
71.01247	0.3
78.95768	13.0
83.04904	0.4
84.96522	0.3
96.96840	0.7
98.20545	0.9
98.85252	0.3
100.25952	0.3
132.77802	0.3
150.43327	0.4
152.99480	20.5
153.99756	0.5
171.00505	1.7
209.90741	0.3
227.03166	3.3
229.33051	0.3
233.22690	0.6
245.04254	2.2
259.20633	0.5
277.21692	100.0
278.22046	8.1
316.97021	0.3
505.25668	33.2
506.25989	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	505.2809
Annotation	Mucronine A
Peak:m/z	Relative Intensity
50.88647	0.3
51.06310	0.3
59.01248	5.0
78.95781	0.5
83.40435	0.4
89.02303	0.5
91.03874	1.1
93.03340	0.5
96.95898	0.9
110.98412	0.4
117.03342	22.0
118.03609	0.5
119.04907	31.8
120.00025	0.4
120.05225	0.8
121.02853	4.1
123.04401	0.8
125.95241	0.4
133.02834	1.0
145.02844	100.0
146.03157	3.3
162.03146	1.4
163.03909	24.6
164.04263	0.8
171.10229	0.4
171.16068	0.5
229.53412	0.4
253.21660	0.7
267.19632	1.9
268.30869	0.4
271.22775	5.3
285.20667	9.7
288.76187	0.4
289.80292	0.4
295.22845	1.0
313.23685	1.7
314.02286	0.4
337.23718	1.9
349.30182	0.4
371.62601	0.4
399.47995	0.4
413.23218	14.7
414.23575	1.7
431.24313	17.2
432.24600	2.1
505.28046	60.6
506.28320	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.6
59.01248	45.2
67.01759	3.5
68.99679	4.5
69.03324	3.9
70.88634	2.7
71.01250	43.2
71.04898	2.2
72.99181	1.8
73.02817	4.1
78.95756	1.4
79.81021	1.3
83.01258	6.8
83.04906	5.2
85.02819	40.6
87.00751	10.5
89.02309	11.5
91.03879	1.5
93.03354	1.2
95.01265	10.0
95.04903	2.9
95.85416	1.0
96.42641	1.3
97.02834	1.5
97.06457	7.2
98.26482	1.0
99.00752	2.9
99.04420	1.4
101.02318	17.8
103.00271	2.2
109.02837	1.4
109.47144	1.1
111.00767	6.6
111.08041	10.0
112.01550	1.3
113.02323	52.4
114.02641	1.1
119.03369	6.1
119.95922	1.0
125.02316	1.4
129.01855	3.4
131.03421	1.9
139.00267	4.3
143.03444	1.5
147.11678	1.3
157.01331	2.0
161.04486	5.1
163.11194	3.3
165.12750	100.0
166.13071	3.8
169.05025	1.3
191.05594	1.3
197.15399	19.4
205.07104	15.8
209.11771	9.1
226.00073	1.0
227.12843	4.5
231.05051	1.5
237.09885	1.2
241.14401	41.4
242.14789	2.8
249.06117	4.7
263.07706	25.4
264.08017	1.3
281.08771	54.0
282.09100	2.2
300.02600	1.3
343.28546	4.4
463.32706	1.4
505.22852	51.2
505.33658	14.5
506.23282	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	505.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95662	1.0
57.03324	3.2
57.43727	0.9
59.01252	20.1
60.83501	0.9
65.00173	2.1
69.03316	4.4
69.31920	8.7
71.01257	10.5
72.99177	1.9
73.02810	3.0
78.95795	1.2
81.03333	1.1
83.01264	4.8
85.02829	10.3
87.00740	3.4
89.02318	4.4
93.03348	4.1
95.01266	3.8
97.02821	2.1
99.00761	2.4
101.02317	4.8
106.32367	0.9
107.01289	3.9
108.02052	68.2
109.02905	6.0
111.00755	1.8
113.02345	6.6
119.03364	1.1
119.04921	2.1
121.02821	2.4
123.00780	3.0
123.04446	2.1
124.01528	2.0
125.02331	9.5
133.02837	1.9
134.03586	6.4
135.04453	5.4
136.01559	4.4
137.02353	12.9
139.00305	1.2
140.16176	0.9
141.01825	1.1
147.04391	1.2
149.02338	2.0
149.05983	3.5
151.00294	12.8
151.03983	1.8
152.01053	96.8
153.01813	5.5
161.02321	3.5
161.04453	2.0
163.03909	2.3
164.01056	9.8
165.01665	1.1
168.00616	1.4
171.10194	1.1
173.04472	4.0
173.05881	1.1
174.03148	4.2
175.03943	2.4
177.01906	2.8
179.03477	1.7
181.04950	1.3
183.13918	1.5
188.26320	1.0
190.02710	1.7
191.05528	3.9
193.05023	5.1
196.00058	6.2
199.03990	3.9
200.04686	2.0
201.01878	3.3
202.02631	1.0
205.05037	1.5
207.06567	11.3
213.05547	1.3
214.06198	1.0
215.03450	1.7
227.03502	1.9
241.05022	3.0
242.05827	9.0
255.02867	1.4
256.03519	1.2
257.04639	1.5
257.08124	4.5
258.05310	1.7
267.06900	1.1
268.03821	1.4
270.05066	1.1
271.02460	3.8
271.06049	1.3
283.06186	3.7
284.03259	2.2
285.04041	5.1
285.07117	1.5
286.04858	12.5
297.05933	5.1
299.05627	1.6
300.02759	4.4
300.06027	1.5
301.03909	3.8
301.07162	100.0
302.07394	7.9
305.11285	1.3
315.53287	1.0
361.29443	1.5
373.25967	4.2
387.23663	2.3
445.24811	1.4
505.13541	84.7
505.26538	3.0
505.33716	4.2
506.13870	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	505.135
Annotation	Okanin 4-methyl ether 3'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.95662	1.0
57.03324	3.2
57.43727	0.9
59.01252	20.1
60.83501	0.9
65.00173	2.1
69.03316	4.4
69.31920	8.7
71.01257	10.5
72.99177	1.9
73.02810	3.0
78.95795	1.2
81.03333	1.1
83.01264	4.8
85.02829	10.3
87.00740	3.4
89.02318	4.4
93.03348	4.1
95.01266	3.8
97.02821	2.1
99.00761	2.4
101.02317	4.8
106.32367	0.9
107.01289	3.9
108.02052	68.2
109.02905	6.0
111.00755	1.8
113.02345	6.6
119.03364	1.1
119.04921	2.1
121.02821	2.4
123.00780	3.0
123.04446	2.1
124.01528	2.0
125.02331	9.5
133.02837	1.9
134.03586	6.4
135.04453	5.4
136.01559	4.4
137.02353	12.9
139.00305	1.2
140.16176	0.9
141.01825	1.1
147.04391	1.2
149.02338	2.0
149.05983	3.5
151.00294	12.8
151.03983	1.8
152.01053	96.8
153.01813	5.5
161.02321	3.5
161.04453	2.0
163.03909	2.3
164.01056	9.8
165.01665	1.1
168.00616	1.4
171.10194	1.1
173.04472	4.0
173.05881	1.1
174.03148	4.2
175.03943	2.4
177.01906	2.8
179.03477	1.7
181.04950	1.3
183.13918	1.5
188.26320	1.0
190.02710	1.7
191.05528	3.9
193.05023	5.1
196.00058	6.2
199.03990	3.9
200.04686	2.0
201.01878	3.3
202.02631	1.0
205.05037	1.5
207.06567	11.3
213.05547	1.3
214.06198	1.0
215.03450	1.7
227.03502	1.9
241.05022	3.0
242.05827	9.0
255.02867	1.4
256.03519	1.2
257.04639	1.5
257.08124	4.5
258.05310	1.7
267.06900	1.1
268.03821	1.4
270.05066	1.1
271.02460	3.8
271.06049	1.3
283.06186	3.7
284.03259	2.2
285.04041	5.1
285.07117	1.5
286.04858	12.5
297.05933	5.1
299.05627	1.6
300.02759	4.4
300.06027	1.5
301.03909	3.8
301.07162	100.0
302.07394	7.9
305.11285	1.3
315.53287	1.0
361.29443	1.5
373.25967	4.2
387.23663	2.3
445.24811	1.4
505.13541	84.7
505.26538	3.0
505.33716	4.2
506.13870	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	505.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44625	1.1
57.03309	1.8
59.00990	1.3
59.01253	19.4
65.00180	2.8
69.03312	4.5
69.56248	4.7
69.56654	3.4
71.01250	11.0
72.99179	1.1
73.02811	3.1
81.03346	1.1
83.01230	3.1
84.32961	1.2
85.02808	7.4
87.00726	1.4
89.02299	5.0
91.01801	1.4
91.05425	2.1
93.03312	5.9
95.01256	2.9
96.95878	1.3
97.02840	2.7
99.00757	6.4
101.02296	3.4
105.03337	2.0
107.01235	3.4
107.04884	3.7
108.02047	45.6
109.02869	11.5
111.00735	1.3
113.02306	5.2
119.01228	1.4
119.04942	1.3
121.02836	7.5
122.03604	2.8
123.00716	2.2
123.04397	6.3
124.01494	1.4
125.02344	5.9
132.02069	6.1
133.02815	4.7
134.03632	18.4
135.04428	10.6
136.01485	1.7
137.02306	4.3
139.03934	1.9
145.02893	2.0
147.00758	7.1
147.04411	1.3
148.01584	7.2
149.02292	7.8
149.04486	1.0
149.05859	1.1
151.00270	7.7
151.03882	1.9
152.01048	69.4
153.01842	12.6
160.01564	32.0
161.02258	4.7
161.04381	2.0
162.03117	1.9
163.03915	18.3
164.01030	3.3
165.01794	3.1
167.03427	14.8
173.04463	1.8
175.00293	19.0
175.03905	44.8
176.00923	1.4
176.04318	2.5
177.01828	6.0
178.99785	1.7
179.03384	4.7
187.03775	1.5
189.01921	2.7
190.02473	1.3
191.03523	2.0
191.05467	4.6
192.00563	1.5
193.01341	4.0
193.04968	12.9
199.03941	1.1
205.05045	1.7
207.02907	7.4
211.03979	8.4
213.01732	1.2
227.03352	3.8
229.05034	1.3
239.03442	1.6
240.04163	2.5
242.02023	1.6
242.05774	1.7
243.02850	3.2
255.02910	7.1
255.06288	1.3
256.03656	5.0
257.04517	1.4
257.08090	2.4
268.03806	1.2
269.04410	1.2
271.02469	13.9
272.03223	1.4
283.02386	1.5
284.03406	1.3
285.03851	2.5
286.04916	1.4
297.06226	6.9
299.09189	2.9
300.02747	29.6
300.06100	2.8
301.03516	33.9
301.06866	2.1
302.03754	1.7
315.07153	4.2
322.06903	2.5
337.09253	14.6
339.07260	6.2
369.22375	1.2
373.18549	1.3
445.07623	3.4
461.15128	13.0
462.14929	1.5
463.08380	1.2
463.21368	3.3
490.08435	1.2
505.09772	100.0
505.20029	5.3
506.10098	14.0
506.21243	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	1.5
60.84538	0.3
69.55270	0.4
86.45373	0.3
98.20550	0.9
121.02837	100.0
122.03157	2.9
142.29745	0.3
145.02817	0.4
176.81287	0.3
180.05727	0.6
181.06532	2.8
186.16925	0.4
194.57632	0.4
197.05968	2.8
207.04445	1.2
214.75917	0.4
225.05489	2.6
229.37753	0.4
257.09692	0.6
277.21622	1.8
313.07156	5.3
329.08026	0.4
346.40073	0.4
346.49902	0.4
357.06158	1.2
373.10773	0.5
383.07568	1.2
417.09750	9.8
418.10052	1.2
458.33426	0.4
462.69485	0.4
485.47134	0.5
495.54114	0.3
505.11420	7.6
505.26593	0.6
506.11639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82510	1.7
55.01740	2.0
57.03309	1.9
59.01249	23.0
68.72356	1.5
68.99686	43.9
69.03323	17.1
70.12206	2.7
70.12611	4.8
70.64585	2.2
71.01254	14.1
73.02814	24.2
79.01775	2.2
83.01257	4.4
83.04901	3.5
85.02824	7.3
95.01262	2.1
97.02838	9.7
99.00751	100.0
100.01133	1.7
101.02303	12.9
107.01252	10.4
108.02049	20.9
109.02838	3.9
113.02326	12.6
117.01836	3.2
121.02805	3.1
123.00789	3.1
125.02328	34.8
132.28297	1.7
135.00775	28.7
137.02322	3.8
151.00255	14.2
152.01042	48.4
153.01746	3.9
161.04411	7.5
171.10133	2.0
242.05820	16.5
243.06573	77.2
244.06911	4.2
255.03128	1.9
261.06073	3.8
285.04117	1.8
300.02649	3.4
405.11853	41.2
445.31494	2.4
505.34454	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	505.0989
Annotation	Quercetin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03308	0.9
59.01247	5.7
63.02241	2.1
65.00189	7.2
65.03810	1.3
70.10063	0.8
70.25399	1.0
71.01224	2.6
71.43896	0.9
71.57892	1.6
73.02791	1.7
83.01241	6.2
85.02808	1.8
87.00770	0.9
89.02309	1.0
93.03342	5.5
95.01211	2.2
97.02825	1.2
99.00729	0.9
101.02316	1.5
107.01264	9.0
108.01999	1.7
109.02831	16.9
111.00751	6.0
113.02320	1.3
117.03328	2.6
118.46748	0.8
119.01280	0.8
119.04883	1.0
121.02848	4.4
123.00723	1.9
124.01543	1.8
125.02326	8.7
133.02837	1.2
134.03613	1.2
135.00751	1.1
135.04378	1.4
136.98621	1.3
137.02361	4.8
137.03386	0.7
138.99409	0.8
139.00270	11.9
139.03847	1.1
146.03575	0.9
147.04301	0.9
148.01479	1.0
149.02338	14.8
150.03073	0.9
151.00264	33.4
152.01039	5.3
153.01834	15.3
159.04378	1.5
161.02336	1.7
161.05888	0.8
163.00301	3.9
163.03873	1.5
164.01123	0.9
165.01785	3.3
167.03453	1.1
171.04411	1.0
173.04443	1.1
173.96352	0.9
175.00246	2.7
175.03757	1.5
176.01114	1.1
177.01811	5.2
178.99771	7.5
181.01344	12.2
183.04430	1.7
185.05930	1.5
187.03801	2.3
189.05515	1.0
190.02707	1.5
191.03336	5.3
191.05078	1.1
192.00575	8.4
193.01331	23.7
194.01685	1.4
194.82809	0.8
195.02824	1.3
198.02815	0.9
199.03938	1.3
201.01796	2.3
201.05492	1.5
202.02542	1.4
203.03339	2.9
205.01326	1.4
206.99232	5.5
208.00061	6.5
211.03784	2.9
213.05403	1.0
214.02461	1.1
215.03365	3.4
216.04051	2.2
217.01317	1.6
227.03458	4.4
228.04169	2.0
229.01247	1.3
229.04866	3.1
230.02075	0.9
231.02870	4.9
233.04466	1.9
239.03366	2.7
243.02843	2.3
244.03668	1.0
245.04544	6.8
255.02965	9.1
256.03513	6.3
257.04514	7.1
258.01559	1.3
259.02350	1.7
268.03815	7.2
269.04459	4.2
271.02420	1.9
272.03061	3.8
273.04047	11.3
283.02426	9.1
284.02948	3.0
285.03827	5.6
286.04227	2.2
297.04050	1.8
299.05353	1.1
299.99445	1.6
300.02710	22.8
300.06039	1.7
301.03503	100.0
302.03879	8.6
343.04153	1.0
385.07751	9.5
386.07990	1.8
387.23965	1.7
397.07953	4.0
449.10617	3.1
461.10397	2.5
463.08527	1.5
477.10132	4.3
490.10013	1.2
505.09763	49.5
505.22064	2.2
506.10306	7.5
515.04266	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
59.01249	1.6
63.02264	0.6
65.00191	1.3
66.96795	0.2
69.03318	0.3
70.98937	0.3
70.99248	0.3
71.01256	0.8
71.65377	0.3
76.26478	0.2
83.01247	1.1
85.02842	0.8
86.03652	0.2
87.00787	0.3
89.02308	0.4
91.01755	0.3
93.03358	0.6
95.01289	0.3
97.59848	0.2
99.00755	0.2
101.02377	0.3
107.01265	2.6
108.02065	2.7
109.02824	1.9
111.00773	0.4
113.02355	0.6
117.98297	0.2
119.01295	0.3
119.04916	0.2
119.63116	0.2
121.02843	2.2
122.03637	1.5
123.00763	0.3
123.04433	0.9
124.01556	0.5
125.02341	0.5
132.02066	3.0
133.02890	1.2
134.03621	5.0
135.00754	1.0
135.04425	0.4
137.02354	0.9
139.03943	0.4
147.00806	0.3
148.01558	1.7
149.02321	0.6
149.06020	0.7
151.00270	12.5
152.00835	0.6
153.01857	0.6
159.04390	0.4
160.01569	15.3
161.02254	1.2
163.00279	2.7
163.03920	0.5
164.01021	1.0
165.01756	0.4
167.03426	0.5
169.01352	0.9
171.04471	0.4
173.04535	0.2
174.03123	0.5
175.03915	18.7
176.04506	0.5
177.01840	0.7
178.02602	0.3
178.99779	5.5
179.03348	0.2
183.04482	0.4
187.03946	0.8
190.02606	0.3
190.99840	0.5
191.05534	0.4
192.00566	0.5
193.01529	0.4
193.04996	4.3
199.03911	1.6
201.01883	0.2
201.05498	0.3
202.02646	0.4
203.03372	0.8
211.03897	1.5
213.01768	0.3
213.05591	0.3
215.03416	1.1
216.04253	0.7
217.04927	0.4
226.02698	2.3
227.03448	4.4
228.03975	0.4
229.01363	0.3
229.04962	0.5
232.02206	0.3
239.03467	0.4
240.04210	0.2
242.05814	0.6
243.02948	13.1
244.03323	1.3
245.04523	1.3
254.02147	3.0
255.02954	30.6
256.03336	2.3
257.04410	0.4
257.08145	1.2
271.02457	66.4
272.02917	5.9
273.03995	1.2
283.02499	1.6
284.03156	0.8
285.03888	0.7
298.04636	0.5
299.02222	1.9
299.05472	1.0
299.08792	1.5
300.02725	100.0
301.03436	45.2
302.03818	3.4
322.06998	0.7
323.07520	0.6
337.09235	6.7
338.09515	0.3
342.05682	0.3
343.03970	0.3
395.08224	0.4
447.08661	0.7
461.14697	5.9
462.14890	0.8
463.08887	2.9
464.08707	0.4
487.10718	0.5
505.09802	57.3
506.10129	7.8
506.17654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	16.4
65.00190	11.5
69.25352	32.6
71.01239	6.9
73.02834	4.8
77.58440	3.4
83.01267	5.8
85.02808	9.6
89.02319	5.5
93.85062	3.5
94.50671	3.6
98.20567	6.7
107.01267	12.5
108.02078	3.4
108.68490	3.4
109.02827	32.6
111.00787	3.7
113.02312	6.6
119.03437	4.0
122.03580	5.2
123.00768	3.9
125.02361	16.1
132.02055	13.5
133.02840	38.6
134.02235	3.4
134.03607	14.3
135.04422	3.2
137.02316	39.1
151.00270	56.8
152.00975	4.8
153.01788	5.3
160.01572	44.1
160.03902	6.9
161.02333	10.5
163.00299	3.9
164.03468	25.4
165.01846	4.9
167.03384	9.2
168.00552	3.3
175.00281	4.7
175.03920	48.7
176.01038	14.9
177.01859	29.9
178.99780	9.4
179.03380	14.8
187.02602	5.8
188.03409	9.3
190.01389	8.4
190.05025	12.5
191.05505	5.7
192.00500	4.5
193.01343	5.7
193.05003	11.9
202.01352	4.8
205.01384	20.5
206.04448	17.6
216.02847	8.1
217.04999	4.1
227.03458	5.6
230.00842	8.4
231.01636	57.8
232.02444	57.2
233.02649	6.4
241.05142	6.3
243.03011	8.2
255.02969	61.8
256.03613	23.4
257.04507	6.5
257.08252	4.2
269.04529	9.9
271.02490	12.0
283.02444	42.3
284.03241	30.4
285.03934	14.4
296.03043	4.9
297.03827	25.7
298.04422	4.4
299.05548	6.3
299.08990	4.5
300.02332	16.7
300.05322	10.8
301.03513	44.8
313.03131	4.2
314.06619	11.5
323.04303	8.7
324.05106	54.3
325.05191	4.9
326.08746	14.2
337.09268	15.9
338.06476	4.3
341.05164	17.9
342.02524	10.8
342.06207	82.1
343.06406	11.5
368.09741	8.4
394.07761	100.0
395.08057	5.0
419.09827	26.1
420.10385	4.6
445.07654	4.6
446.08530	45.0
447.09216	4.0
459.09119	5.8
461.15039	16.0
463.08829	11.0
464.08704	4.5
486.10452	82.1
487.10916	6.4
504.11874	77.0
504.23636	5.1
505.11304	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	503.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.6
57.03325	2.5
58.00461	2.2
59.01246	100.0
60.01588	0.8
71.01247	50.5
71.04887	1.9
72.01604	0.5
72.99171	3.4
73.02815	9.1
73.03186	0.7
75.00747	0.8
78.95766	0.4
81.03323	0.6
83.01257	4.9
83.04895	0.7
84.02039	0.4
85.02815	17.2
87.00758	3.1
87.04440	0.4
88.07514	0.4
89.02311	26.9
95.01257	2.9
97.02831	1.3
97.06504	0.4
98.20646	0.9
99.00744	4.0
101.02317	38.2
102.02686	0.6
111.00790	0.5
113.02322	20.3
119.03380	11.9
121.10098	0.4
124.28724	0.4
125.02305	1.0
129.01833	0.9
131.03363	1.9
135.28244	0.4
137.02315	0.4
143.03392	3.2
149.04451	0.7
159.02901	2.3
161.04446	12.9
162.04839	0.7
179.05539	2.8
183.13831	0.6
185.15446	0.8
186.68030	0.4
190.02679	0.4
205.03448	0.6
225.41533	0.4
231.92116	0.5
255.03064	0.6
281.24902	1.3
284.03372	0.4
285.04053	0.5
293.24710	0.5
305.24829	1.4
311.25937	0.8
315.06982	0.4
323.26099	0.6
324.29755	0.5
341.26892	11.7
342.27414	1.0
360.90909	0.4
385.94733	0.5
401.25043	0.6
503.25848	0.9
503.32263	23.1
504.25922	0.6
504.32520	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	5.2
59.01246	100.0
60.01574	2.2
69.03339	3.4
69.27728	23.4
70.67630	2.0
71.01248	26.5
73.02821	6.3
74.18974	2.2
74.53786	2.3
75.00748	2.8
79.10410	2.5
83.01253	4.9
83.04884	2.6
85.02826	16.3
87.00744	5.7
89.02308	9.8
91.76248	2.2
93.03323	4.9
95.01283	2.5
97.02824	3.8
99.00763	6.4
101.02304	14.2
108.02010	3.7
109.02847	3.8
112.62544	2.4
113.02319	12.6
119.03349	3.5
119.04892	5.2
121.02912	2.3
124.01546	3.3
125.02279	5.2
133.02739	4.1
134.03575	2.4
135.00728	2.1
135.04404	2.1
137.02406	2.6
143.03358	3.4
149.02321	2.6
150.92561	2.2
151.03856	6.4
152.01015	3.6
160.01552	2.6
161.04477	4.9
163.03871	6.4
173.04509	5.1
179.05545	2.7
183.13797	2.4
191.05482	3.2
201.14767	3.5
284.03085	3.8
285.04099	2.7
319.08493	2.8
341.13837	2.7
359.28012	8.1
399.23618	5.2
417.24844	4.3
418.07187	2.5
498.57672	2.1
503.19769	3.9
503.26538	8.4
503.32840	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.5
57.03319	1.8
58.00470	1.1
59.01248	100.0
71.01251	34.6
71.04880	0.7
71.58236	0.6
72.99183	2.4
73.02811	6.2
75.00756	0.6
83.01252	3.9
84.02037	0.5
85.02822	13.6
85.03339	0.7
87.00756	2.2
89.02314	18.2
95.01279	2.0
99.00764	3.7
101.02319	25.3
111.04375	0.6
113.02321	15.1
119.03393	9.5
121.10007	0.5
125.02312	1.1
129.01802	0.7
135.04390	0.7
137.02304	0.5
143.03406	2.1
149.04431	0.6
159.02901	2.1
161.04469	9.2
179.05585	2.4
191.05557	0.7
193.05032	0.7
195.72908	0.5
208.20996	0.6
267.07239	0.6
281.24841	1.2
285.04095	0.8
305.24884	1.0
341.26913	7.9
395.92368	0.6
503.19373	0.7
503.25647	0.8
503.32315	16.7
504.32660	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	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98035	0.6
56.82463	0.5
57.03316	0.6
59.01251	14.1
65.18098	0.7
69.80683	4.0
71.00894	0.7
71.01253	10.6
71.37439	0.6
72.99153	0.7
73.02791	2.5
75.00712	0.6
83.01239	0.8
85.02811	6.2
87.00736	1.9
87.04406	0.7
89.02319	8.1
91.01748	1.2
93.03324	3.3
95.01223	1.0
96.95886	7.4
98.95436	0.7
99.00732	0.9
101.02323	6.5
113.02321	4.3
119.01268	5.0
119.03369	2.8
119.04912	0.7
121.02827	2.9
123.32755	0.6
125.02363	0.7
128.30757	0.8
134.03612	1.5
135.04433	1.4
135.06531	4.4
137.02332	1.5
147.00758	2.2
147.02864	0.9
147.04399	1.1
149.02342	20.5
152.00912	0.7
153.01781	0.8
153.09131	1.1
156.41281	0.6
161.02345	0.9
161.04486	0.9
162.03139	1.8
163.03899	1.9
164.04703	25.9
165.01775	1.2
165.05103	1.2
167.03397	0.9
173.04561	0.9
175.00284	26.8
175.03827	1.1
176.00725	1.0
177.05502	1.7
179.03355	0.9
179.05586	1.1
179.07033	3.8
189.01970	1.3
190.02637	81.6
191.03183	3.3
191.05547	1.5
193.04948	1.1
205.04999	100.0
206.05305	3.7
208.03644	0.8
223.06071	66.2
224.06458	4.2
297.11972	2.9
326.71442	0.8
329.09280	1.0
356.83774	0.8
503.17807	26.1
503.25208	1.3
504.17920	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	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07459	0.6
52.40025	0.7
55.95690	0.6
56.56328	0.7
57.03291	0.9
59.01254	10.1
71.01253	9.5
71.57829	0.9
72.99165	1.0
73.02809	1.3
83.01256	0.9
85.02814	5.8
85.47165	0.8
87.00710	1.3
89.02316	8.4
91.01751	1.5
92.14968	0.7
93.03325	1.1
95.01242	0.8
96.95845	1.5
99.00748	0.9
101.02311	5.5
103.03848	1.0
113.02321	4.0
119.01277	3.7
119.03381	2.2
119.04882	0.7
121.02826	2.1
134.03606	1.5
135.04404	2.7
135.06506	1.8
145.67792	0.7
147.00766	2.9
147.04407	0.7
149.02335	17.6
161.02386	3.9
163.03903	1.4
164.04697	20.4
165.01871	1.9
175.00279	27.8
175.03889	1.9
176.00673	1.3
179.03334	1.0
179.05547	1.6
179.07062	3.0
190.02629	84.9
191.03040	2.9
191.05525	1.3
205.04990	100.0
206.05325	5.4
208.68332	0.7
223.06059	53.6
224.06386	2.9
297.08401	1.1
297.11765	1.2
503.17828	28.2
504.18121	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1196
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
59.01233	0.6
63.02267	0.7
64.99906	0.2
65.00216	0.4
70.35278	0.3
70.35667	0.4
72.85027	0.2
73.02791	0.2
77.85884	0.2
83.01267	0.5
85.02818	0.3
89.54205	0.2
91.01720	0.2
98.20475	0.2
99.07964	0.1
107.01276	1.0
132.02022	0.2
133.02861	0.5
134.03624	0.7
148.01527	0.3
149.02374	0.2
149.99503	0.3
151.00273	1.6
169.01323	0.2
172.05107	0.2
173.04463	0.2
174.03094	0.2
183.04413	0.4
187.03763	0.2
188.04642	0.3
199.03983	0.2
200.04697	0.7
211.03915	0.7
212.04703	0.4
227.03426	1.3
228.04144	0.4
239.03470	0.4
255.02954	13.4
256.03665	4.6
257.04196	0.2
263.25394	0.2
268.03641	0.3
269.04517	0.5
276.27643	0.2
283.02490	4.4
283.06006	0.5
284.03232	95.9
285.03601	7.3
285.06311	0.1
287.88144	0.2
297.04068	2.3
298.04691	0.3
299.05576	100.0
300.02454	0.4
300.05917	8.6
306.05203	0.2
311.05542	0.3
313.07074	0.5
327.04584	0.2
341.06549	1.5
488.09668	0.5
503.12015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08773	1.4
59.01249	100.0
63.35023	1.2
70.87272	3.6
71.01253	5.4
73.29737	1.3
85.02840	2.0
89.02319	1.8
113.02332	4.6
119.03355	1.6
136.21840	1.3
161.04449	2.2
162.63113	1.4
279.23273	90.2
280.23630	5.8
301.64182	1.6
321.24234	2.8
346.02255	1.5
376.62930	1.6
435.44751	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	503.1195
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
52.35357	0.4
59.01251	4.0
59.86413	0.3
62.91548	0.3
63.02264	0.6
63.14182	0.4
65.00209	0.4
73.02849	0.4
78.95771	0.4
85.02813	1.1
100.79193	0.4
101.02296	0.6
107.01241	0.4
112.73045	0.3
113.02349	0.6
113.25298	0.4
123.90200	0.5
124.97832	0.4
135.04373	0.8
149.02307	0.5
151.00275	0.9
173.04555	0.6
183.04448	0.5
226.02495	0.5
227.03444	1.0
255.02946	100.0
256.03354	7.1
268.03848	0.7
269.04517	4.6
271.02576	0.5
281.04538	0.6
283.02448	69.8
284.03152	24.0
285.03888	4.5
293.58344	0.4
297.04025	12.7
298.04782	14.5
299.05536	17.1
300.05920	1.2
313.03580	3.5
443.10144	0.5
488.02475	0.9
488.09555	18.0
489.09885	1.8
503.11945	96.7
504.12299	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	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05368	0.8
52.42727	0.6
57.03308	2.2
59.01248	4.8
67.01756	1.3
69.71718	5.1
71.00870	0.6
71.01247	4.4
72.99208	0.8
73.02829	1.4
74.52092	0.7
75.48923	0.7
85.02820	8.0
87.00750	2.0
89.02297	4.8
93.03330	19.8
96.95898	1.0
96.99178	2.3
99.00769	0.9
99.04368	0.8
101.02345	1.6
109.02796	1.6
111.00764	1.3
113.02309	1.7
116.92725	1.6
118.04980	2.2
119.03542	0.9
119.04912	11.2
121.02866	3.8
123.04411	1.1
125.02348	0.7
127.03813	0.9
129.01840	1.5
131.04936	2.0
133.02824	2.0
133.04958	4.1
133.06445	1.0
134.03615	0.9
135.04407	8.8
137.02333	2.3
143.04916	9.5
145.02887	1.5
145.06476	1.1
149.02347	24.7
150.02838	0.8
151.00269	0.9
151.03920	1.0
152.01064	7.4
155.03278	0.8
159.04361	0.9
160.01584	1.5
163.02547	1.0
163.03908	14.3
163.49159	0.7
164.04706	20.5
164.54982	0.8
165.01866	3.1
167.03383	1.8
168.00499	0.7
169.04935	2.2
171.04398	1.2
173.04472	8.9
175.00276	0.8
175.03798	1.7
179.03423	1.0
179.07022	7.1
190.02608	3.3
191.01814	1.3
191.05527	32.1
192.99757	1.0
193.01343	21.6
205.04993	2.5
208.03709	44.3
209.04169	1.4
211.07619	3.0
223.06056	100.0
224.06392	4.1
235.07549	2.1
237.09174	3.2
238.08461	1.0
239.10732	2.5
253.10905	1.1
265.08701	11.0
283.09802	2.3
295.10284	2.0
309.07578	4.1
327.08713	72.5
328.09076	5.1
367.10669	1.0
371.94955	0.9
385.11313	3.1
428.07312	0.8
457.13724	1.3
501.15506	3.1
501.24966	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	501.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.3
66.37178	1.0
67.01765	3.4
69.49722	9.2
71.01264	6.2
71.75790	1.1
74.02343	3.2
85.02820	13.8
87.00752	8.6
89.02341	3.0
91.01772	15.9
93.03328	35.9
96.99162	2.5
98.19796	2.3
101.02328	1.8
109.02835	12.4
111.00737	1.1
111.04403	4.4
113.02337	1.9
115.03911	1.8
116.03413	3.3
117.03338	1.6
119.03416	1.4
119.04915	23.3
121.02857	2.1
127.03904	2.3
129.01810	2.7
131.04924	3.6
131.43224	1.0
133.02817	3.3
135.00766	41.0
135.74611	1.0
137.02356	3.5
143.04939	12.6
145.02812	2.6
147.04408	1.4
149.02367	3.5
153.01833	37.4
155.03358	2.2
160.01587	3.1
161.02399	1.3
163.03896	14.2
164.04665	1.5
171.04454	1.3
173.04480	15.8
175.03867	3.2
177.05682	1.2
190.02715	1.6
191.05537	100.0
192.05934	3.5
193.04919	1.9
205.05029	1.7
208.03685	1.7
211.07648	3.9
223.05989	6.4
235.07600	2.8
237.09233	4.5
239.10651	1.1
265.08698	16.0
266.09073	1.4
283.09821	2.5
295.10333	7.4
297.06152	11.1
309.07727	3.8
327.08710	81.9
328.09079	6.6
337.09131	1.7
339.07126	15.1
377.27142	1.2
457.15201	1.5
466.76965	1.1
501.14047	16.8
502.14618	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	501.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01728	0.2
57.03316	0.2
59.00945	0.2
59.01249	4.8
69.03301	0.1
69.33597	1.1
69.34010	0.3
71.01246	1.1
73.02821	0.4
77.06154	0.2
83.01254	0.3
85.02824	0.9
86.03156	0.1
87.00751	0.2
89.02330	0.3
89.03854	0.3
91.05437	0.2
93.03323	1.3
99.00734	0.2
101.02318	0.4
109.02818	0.4
113.02345	0.8
117.03344	2.3
119.04916	100.0
120.05244	3.6
120.08073	0.5
121.02823	1.4
123.00814	0.2
123.04392	0.2
125.02348	0.2
129.01820	0.2
132.02069	2.6
133.02859	4.0
134.03638	6.3
134.05980	0.5
135.04462	1.8
137.02319	1.3
139.03920	0.2
145.02858	4.3
146.03200	0.2
149.05974	1.2
150.03116	0.2
151.00235	0.3
153.01860	0.2
160.01572	13.8
161.02356	14.9
162.02866	0.8
163.03917	51.4
164.04250	2.1
164.07098	0.6
173.04555	0.3
174.03143	0.2
175.03923	17.1
176.04330	0.9
177.01846	0.6
177.05487	14.3
178.02658	1.6
178.05815	0.6
179.03415	1.8
187.11192	0.2
191.05501	0.3
193.04990	7.0
194.05336	0.3
202.02660	0.3
203.03436	0.6
217.05038	0.5
285.04034	0.2
306.07712	0.3
307.08237	1.5
322.06964	0.9
323.07706	16.2
324.07901	1.0
337.09277	12.5
337.15244	0.2
338.09689	1.1
339.12408	0.5
340.10263	0.2
353.19745	0.2
400.64230	0.2
481.51190	0.2
501.13904	4.1
501.30692	0.3
502.14078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10854	0.5
57.03306	1.1
59.01246	3.3
64.32632	0.5
66.22191	0.6
67.01767	0.5
69.03320	0.7
70.45849	1.6
71.01251	3.0
73.02803	0.6
74.93766	0.5
83.01225	0.7
85.02811	5.4
87.00739	2.5
89.02290	2.4
93.03326	24.4
94.03677	0.6
96.99171	4.3
98.19745	0.5
99.00744	0.8
99.04367	0.5
101.02333	1.6
101.81585	0.5
107.44426	0.5
109.02836	1.4
111.04399	1.8
113.02334	1.4
116.92799	0.6
117.03343	2.0
119.04905	13.4
121.02854	3.1
123.04421	1.7
125.02345	1.1
127.03877	1.2
129.01790	0.5
130.04077	0.9
131.04897	3.9
133.02852	3.4
133.04936	2.7
134.03603	1.4
135.04405	5.1
137.02368	2.3
143.04915	15.3
144.05180	0.6
145.02881	2.6
145.06480	1.3
147.04373	0.7
149.01199	1.0
149.02336	13.4
151.03900	0.5
152.01073	4.6
155.03372	1.3
159.04393	0.8
160.01567	1.3
163.03911	13.2
164.04684	10.4
165.01842	1.4
165.05418	0.4
167.03360	1.4
169.04918	2.0
171.04425	2.0
173.04480	8.2
175.03917	1.4
179.03439	0.6
179.07040	4.1
190.02654	1.3
191.05530	41.3
192.05923	1.4
193.01346	12.4
193.04929	0.8
205.04996	2.0
208.03696	24.4
209.04037	0.8
211.07590	4.9
219.08049	0.8
221.01027	0.5
221.09698	1.4
223.06049	59.1
224.06371	2.5
235.07626	2.7
237.09154	5.5
239.10680	1.4
247.07709	0.6
253.10760	0.5
263.07175	0.6
265.08667	18.6
266.08981	0.9
267.07257	0.5
283.09650	1.4
295.10315	1.2
296.41818	0.6
309.07632	5.9
325.11276	0.7
327.08704	100.0
328.09021	9.1
367.10220	0.5
381.05673	0.6
385.11203	1.7
413.14438	0.6
432.73468	0.5
457.13608	1.0
476.22128	0.6
501.14801	4.2
502.10013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55310	0.4
52.61206	0.4
55.73596	0.4
55.93543	0.5
57.03310	0.9
59.01251	4.1
63.38563	0.4
67.01747	1.8
69.03322	0.7
69.53880	3.4
71.01247	3.5
73.02807	0.9
81.03309	0.7
83.04913	0.7
85.02828	5.7
87.00764	2.0
89.02320	1.5
90.21346	0.4
91.01781	0.7
93.03331	24.5
94.03667	0.7
95.01267	0.5
96.95879	1.2
96.99190	3.2
98.20608	0.7
99.00775	0.8
101.02312	1.5
108.02029	0.8
109.02809	1.4
111.00737	0.8
111.04382	2.2
113.02342	0.9
117.03332	0.9
119.04907	15.1
120.05243	0.6
121.02808	1.1
123.04375	1.5
125.02322	0.4
127.03880	0.9
129.01820	1.1
130.04143	0.6
131.04916	3.0
132.02086	2.6
133.02878	2.9
134.03633	6.3
135.00757	1.3
135.04405	0.9
137.02339	2.3
141.01782	0.5
143.04924	11.7
144.05309	0.5
145.02847	2.1
145.06465	1.0
147.04404	0.5
149.02324	1.1
149.05956	0.9
153.01830	2.0
155.03413	4.4
158.03502	0.5
159.03072	0.4
159.04373	0.9
160.01567	11.4
160.03897	1.4
163.03908	9.3
163.05962	0.5
164.04425	0.5
167.03485	0.4
171.04424	1.4
173.04462	20.1
174.04637	0.8
175.00241	1.2
175.03923	14.0
176.04602	0.6
177.05434	0.5
190.02629	1.2
191.05536	33.1
192.05890	1.1
193.01338	1.0
193.04982	14.5
194.05449	0.5
205.01422	1.0
205.04996	1.6
206.02150	3.1
206.08072	0.5
208.03761	0.8
211.07555	4.7
217.01392	3.7
217.05016	0.8
219.08267	0.5
221.09746	0.8
223.05983	1.7
223.07861	0.8
234.01674	0.7
235.02496	0.7
235.05684	0.7
235.07593	1.6
237.09171	5.4
239.10628	2.0
247.07593	0.8
250.66481	0.5
263.07013	0.6
265.08704	14.4
266.08960	1.3
283.09763	3.8
295.10181	2.1
297.06146	0.9
309.07602	3.8
325.11478	0.5
327.08710	100.0
328.09048	8.7
339.07175	0.9
381.08188	2.3
382.08545	0.4
440.44751	0.4
457.15067	0.6
501.13376	8.1
502.14154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29809	0.9
50.55242	0.7
57.60325	0.8
59.01250	100.0
59.52658	0.9
60.01595	0.7
60.05579	0.9
71.58501	1.0
78.95776	1.0
85.01878	0.8
91.03906	1.3
96.39468	0.8
299.89288	1.1
357.91702	1.0
365.26886	8.7
366.27689	0.9
420.31552	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.9
59.01255	1.1
69.34801	6.2
71.01247	1.5
72.00785	6.5
78.86695	0.7
85.02807	2.1
86.05983	1.0
89.02307	1.2
93.03330	1.7
98.19824	1.3
99.00758	39.3
100.01094	1.1
111.00751	0.9
112.03943	1.7
116.03413	3.0
118.05006	1.5
119.04897	0.7
146.71962	0.7
158.04555	3.6
158.05624	100.0
159.05997	1.6
163.03937	0.9
173.04482	0.9
191.05559	2.3
251.34319	0.8
255.03235	0.7
327.08469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	11.9
60.96424	0.4
67.02168	0.3
69.56494	0.4
69.94817	2.3
71.01252	2.6
71.52264	0.4
73.02808	1.1
75.00752	0.7
75.83260	0.3
85.02813	2.1
86.38053	0.4
87.00743	0.6
89.02313	0.9
93.03320	1.1
99.00764	0.6
101.02313	0.7
107.01296	0.5
113.02338	1.8
117.03340	1.7
119.04910	100.0
120.05247	3.3
121.02855	1.1
123.04407	0.5
132.02061	3.3
133.02853	3.7
134.03615	6.1
135.04387	1.6
137.02357	1.1
145.02863	2.6
149.05978	0.8
151.00299	0.8
160.01563	14.1
160.02824	0.8
161.02342	13.2
161.04366	0.6
162.02965	0.6
163.03911	48.1
164.04268	2.3
175.03914	17.6
176.04277	0.8
177.05481	14.6
178.02617	0.9
178.05774	0.5
179.03418	1.8
187.11249	0.8
193.04991	6.4
217.04976	0.6
252.09195	0.4
267.07092	0.4
307.08212	0.9
322.06961	0.8
323.07693	15.3
324.07974	0.9
337.09280	10.7
338.09772	0.5
339.12332	0.8
360.70706	0.5
381.33792	0.4
457.20529	0.5
471.26212	0.4
501.13611	4.1
501.20389	0.9
501.31152	0.6
502.26822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	0.7
59.01248	100.0
60.01567	1.0
70.60223	1.0
71.01240	4.2
73.02817	0.8
85.02830	1.8
89.02320	2.2
95.01274	1.0
96.44753	0.4
101.02319	2.8
113.02346	4.2
119.03399	1.3
143.03375	0.5
148.59019	0.5
161.04468	1.5
191.86038	0.5
260.09674	0.4
277.21701	78.6
278.22052	6.8
282.74994	0.4
291.23279	1.8
319.22617	2.1
418.30527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80325	0.1
55.01749	0.3
55.63031	0.2
57.03316	0.2
58.00456	0.3
59.00947	0.4
59.01245	7.1
69.03340	0.2
70.09460	0.4
70.09855	0.3
71.01246	5.0
72.99184	0.2
73.02808	1.1
83.01242	0.6
83.04885	0.3
85.02811	1.5
87.00737	0.7
89.02309	4.0
95.01284	0.2
97.02810	0.2
97.06455	0.2
98.19823	0.2
99.00741	0.3
101.02309	4.9
105.96912	0.2
106.68143	0.2
113.02327	2.5
119.03373	1.0
125.02322	0.2
127.07518	0.4
133.05013	0.4
143.03360	0.4
154.04822	0.2
157.04915	0.3
161.04478	1.7
179.05518	0.6
219.21034	0.4
222.03870	0.1
227.18089	0.2
235.08199	1.1
236.08496	0.2
245.19154	0.4
253.09242	15.8
254.09630	0.7
254.42361	0.2
258.72214	0.2
261.18677	0.5
263.20126	100.0
264.20456	8.1
264.23291	0.3
271.22711	0.4
368.96478	0.2
499.26874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	69.5
66.44256	0.6
78.95773	10.5
96.96883	0.7
100.43986	0.7
107.41541	0.6
108.95836	0.6
127.73404	0.5
152.99472	10.9
154.20883	0.6
171.00475	2.9
178.38844	0.7
191.03873	0.7
208.94492	0.6
227.03156	1.8
245.04239	5.9
271.22760	100.0
272.23099	7.5
417.43201	0.7
417.50470	0.6
448.64676	0.8
481.26428	0.8
499.26752	28.9
499.32407	1.1
500.27158	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	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65791	0.4
51.98908	0.4
53.01904	0.4
55.01731	0.7
57.03327	2.5
58.00456	1.3
59.01253	33.0
61.98695	0.5
67.01762	0.6
69.03308	0.9
71.01255	21.3
71.01653	1.1
71.59544	0.7
72.99187	2.8
73.02820	1.3
75.00755	2.1
81.03366	0.5
83.01262	1.6
85.02825	11.9
87.00758	2.1
89.02320	17.9
90.02680	0.4
93.03353	0.9
95.01265	2.9
97.06449	0.6
97.89526	0.4
99.00757	1.9
99.04398	0.6
99.08033	0.7
101.02324	12.8
107.04897	0.9
109.02762	1.0
111.00744	1.3
113.02333	14.1
117.01832	0.6
117.03322	1.2
118.76220	0.4
119.03397	7.1
119.04882	0.7
121.02811	0.7
122.72227	0.5
125.02341	1.4
125.05905	0.4
129.01819	2.3
131.03363	0.9
133.02844	2.0
134.03636	16.1
135.04449	5.0
137.02328	1.0
137.09583	0.7
139.04007	0.6
140.75043	0.5
143.03410	1.5
147.04391	2.8
148.05193	1.8
149.02388	0.5
149.04433	0.4
149.05997	2.2
152.00980	0.6
153.01768	0.6
158.03632	1.7
160.01596	3.5
161.02266	1.2
161.04437	1.2
161.05785	0.4
161.08095	1.1
162.06700	0.5
163.03925	1.6
164.04720	0.9
173.04475	0.9
173.05972	0.8
174.03180	1.2
175.03932	5.2
176.04713	7.8
177.01825	1.6
177.05342	0.7
178.02577	0.9
179.03438	0.8
179.05536	1.0
182.53392	0.5
187.11162	1.3
188.04762	0.5
191.05476	1.1
191.07050	6.4
192.04195	1.7
193.04999	12.9
194.05357	0.6
202.02695	0.8
205.03476	1.5
205.05215	0.5
205.07124	0.5
205.12312	0.7
207.06564	3.8
214.68974	0.5
217.05026	1.3
220.03694	1.3
235.06091	10.5
236.06412	0.6
249.06123	2.7
265.07278	0.8
267.07184	4.2
285.04004	0.6
293.12531	0.7
305.12524	1.4
323.13467	100.0
324.13785	5.6
329.45410	0.4
344.01218	0.5
499.17905	11.5
499.32834	0.9
500.18951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1822
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.01757	2.3
57.03326	9.7
58.00463	1.4
58.13268	0.8
59.01248	59.9
60.18594	0.8
60.18971	0.8
63.94687	0.8
64.85276	0.8
67.01753	2.5
68.99691	2.3
69.03326	3.4
69.26160	6.6
69.26582	2.0
71.01251	37.6
71.04897	1.5
72.99178	9.5
73.02834	4.1
75.00743	26.0
81.03352	0.8
83.01257	4.2
83.04894	4.6
84.02044	1.3
85.02818	48.0
87.00753	12.4
89.02310	8.9
93.03327	1.8
95.01263	10.5
95.04943	1.1
97.02831	2.1
99.00752	19.5
99.04387	1.8
101.02334	4.4
101.75728	0.8
103.00269	4.8
107.04905	3.2
108.02049	2.1
109.02874	1.4
111.00764	3.2
113.02324	48.9
113.05965	2.1
114.02669	1.8
115.00246	3.8
117.01823	4.4
120.05699	0.9
121.02794	1.0
124.01534	3.5
125.02335	11.6
127.03902	2.4
129.01823	6.5
134.03584	1.0
135.04390	4.7
137.02316	2.2
139.00246	1.2
145.10138	1.6
149.02313	1.3
149.99438	4.2
152.01080	1.2
153.01906	0.9
157.01294	1.8
159.08092	1.4
161.04430	1.0
161.09650	6.3
161.13254	5.0
163.11200	5.1
168.00545	9.1
169.01225	1.4
175.02393	5.7
175.03819	1.6
179.03423	1.7
187.05995	1.1
187.11194	7.1
189.09167	4.2
190.02655	1.2
191.05551	1.9
193.03482	6.0
193.04930	1.1
203.10692	1.3
205.03438	1.8
205.07079	6.2
205.12257	11.7
207.10109	6.2
223.08260	1.2
223.13382	2.4
231.05310	1.0
231.10129	1.5
249.06126	17.8
249.11304	1.7
250.50139	0.9
267.07196	24.1
269.04715	1.3
285.03995	1.3
291.07266	2.1
309.08255	13.2
310.08618	1.2
355.69653	1.0
437.17975	1.5
439.15778	1.2
455.19223	13.8
456.19174	1.2
457.17108	2.0
481.17154	23.6
482.17465	2.5
499.18231	100.0
500.18604	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	499.1818
Annotation	Rolapitant
Peak:m/z	Relative Intensity
52.48060	0.7
57.03322	4.2
59.01253	3.8
65.00167	0.8
67.01733	0.9
69.03323	3.0
69.41225	6.8
71.01257	5.8
71.14689	0.6
72.99186	1.5
81.03355	0.7
83.01266	2.4
85.02824	19.0
87.00755	1.6
87.04388	10.8
89.02314	0.9
93.03336	4.9
95.01262	2.0
97.02806	1.5
99.00750	1.2
101.02315	3.4
105.56052	0.8
108.02052	62.4
109.02849	19.2
111.00763	3.2
113.02335	2.6
121.02831	2.1
123.00775	1.8
125.02326	3.0
129.01833	6.9
131.16446	0.9
133.02826	1.6
134.03647	3.0
135.04382	1.6
139.11230	1.1
145.02856	1.1
151.00261	1.9
151.03914	1.4
152.01057	98.3
153.01843	13.3
155.03461	1.0
160.01570	1.7
161.04456	1.5
163.03932	2.7
165.01836	1.7
173.04500	4.5
175.03909	1.4
177.01788	1.2
187.07603	1.5
190.02591	1.0
191.05547	12.4
195.02943	1.0
198.20987	0.9
202.06262	1.1
205.03473	5.1
209.02835	1.7
223.04552	2.0
231.10127	1.5
246.85669	0.7
275.09299	1.0
297.06113	5.7
307.06119	1.2
315.07245	12.6
316.07581	1.5
323.13290	2.1
325.07141	0.7
357.08157	0.8
481.17365	1.2
499.18231	100.0
500.18671	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	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.5
57.03322	4.9
58.00450	1.3
59.01247	30.5
61.98690	0.4
68.75726	0.3
68.99685	0.6
69.03316	0.6
70.97927	0.3
71.01249	19.0
71.36532	0.7
72.01560	0.4
72.99162	1.8
72.99529	0.3
73.02811	1.6
75.00739	1.2
79.03157	0.4
83.01246	3.9
84.02029	0.6
85.02818	32.7
86.03164	0.6
87.00752	1.4
89.02312	17.1
93.03317	0.8
95.01257	1.9
97.06441	0.7
98.20415	0.4
99.00748	1.1
99.04405	0.4
101.02316	12.8
102.02679	0.4
107.04879	0.4
109.02834	0.6
111.00758	7.3
113.02324	11.2
117.03345	1.8
119.03380	7.3
119.04887	1.2
121.02839	0.6
125.02354	1.1
129.01822	14.1
131.03333	0.7
132.02066	0.7
132.21552	0.3
133.02844	2.3
134.03622	18.8
135.04430	6.7
136.01523	0.7
137.02347	1.3
143.03410	0.6
147.04395	3.6
148.05168	1.6
149.02318	0.7
149.04604	0.4
149.05969	2.3
150.03163	0.7
150.88208	0.4
151.07466	0.7
153.01840	0.8
155.03204	0.4
155.66832	0.4
158.03610	1.6
160.01573	3.8
161.02318	1.2
161.04465	2.5
161.05783	0.6
161.08105	0.8
162.03180	0.8
163.03871	1.9
163.07550	0.7
164.04721	0.8
173.04454	1.0
173.05879	0.4
174.03117	0.7
175.03897	5.0
176.04686	7.1
177.01823	1.8
177.05276	0.6
178.02608	1.8
179.03409	0.9
179.05507	1.1
187.02391	0.7
191.05490	1.8
191.07072	6.2
192.04192	1.6
192.07393	0.5
193.04976	14.0
202.02614	1.1
205.03445	11.0
207.06546	4.0
217.05042	1.9
220.03673	1.6
235.06042	11.5
236.06514	1.0
265.07147	0.6
267.07294	0.5
305.12408	1.3
311.18610	0.9
323.13440	100.0
324.13821	4.8
353.08768	0.6
481.17468	0.6
481.32397	0.5
499.18149	9.6
499.32776	1.0
500.18555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73137	0.4
55.01751	1.3
57.03330	2.3
57.10273	0.4
59.00948	0.7
59.01248	14.0
62.79667	0.4
69.03313	0.6
69.79116	2.3
69.95656	0.3
71.01250	11.6
72.99185	1.0
73.02814	7.0
75.00746	0.6
83.01252	2.9
83.04900	2.1
85.02818	15.7
87.00735	0.9
89.02313	6.4
93.03334	0.8
93.62247	0.3
95.01278	0.8
97.02821	0.7
99.00752	9.9
101.02319	6.4
109.02819	0.7
111.00764	3.7
113.02334	7.4
119.03368	0.9
121.02840	36.3
121.06482	0.5
122.03171	0.5
123.04427	0.4
125.02338	1.1
129.01826	6.4
131.03372	1.8
131.07034	0.9
134.03580	0.4
135.85020	0.4
138.18764	0.3
143.03391	0.8
145.02779	0.3
147.04433	1.0
148.05194	100.0
149.02341	1.2
149.04419	0.9
149.05740	3.8
151.03831	0.4
161.02399	0.4
161.04466	6.1
163.07549	100.0
164.04710	0.5
164.07904	3.8
173.04437	0.5
183.41940	0.4
191.05539	1.6
203.05533	0.7
205.03430	3.9
223.06148	1.3
245.10342	0.6
248.52794	0.3
249.11996	0.3
293.12418	1.7
325.12766	0.5
352.65024	0.4
367.13812	0.9
377.14481	7.5
377.18930	0.7
378.15024	0.5
439.15714	0.6
457.17151	17.1
458.17642	1.8
499.18155	19.0
500.18765	1.4
511.42773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05262	0.5
52.13934	0.4
53.27441	0.4
56.37275	0.4
57.03312	1.5
59.01252	1.1
71.01246	1.5
71.56892	0.4
72.99179	0.7
73.02823	0.6
77.18092	0.5
78.95785	4.0
79.95596	2.3
85.02818	7.3
90.37783	0.5
93.03350	1.0
96.95888	100.0
96.96785	7.5
98.02351	3.5
101.02314	0.8
111.00755	1.7
125.02383	0.6
129.01866	4.4
135.31050	0.5
151.24101	0.4
173.04584	0.7
191.01854	0.6
191.05534	2.3
193.04916	0.9
194.90817	0.4
205.03397	3.8
209.02864	0.8
223.04512	4.2
249.11293	1.0
274.68066	0.5
344.15259	0.5
472.27222	0.6
481.13596	0.8
499.14917	1.0
500.14487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.0
57.03319	18.2
59.01249	9.9
59.12850	1.4
61.77127	1.3
67.01746	3.1
71.01253	12.0
71.59164	2.1
71.89748	1.6
72.99170	2.7
73.02822	2.0
73.19791	1.2
75.00714	1.6
75.23370	1.1
78.98154	1.1
81.03316	1.7
83.01254	5.9
83.04902	2.2
84.02018	2.6
85.02818	100.0
85.91022	1.3
86.03131	1.5
87.00749	2.5
93.03328	14.0
101.02318	4.3
109.02825	19.7
111.00762	18.4
111.04411	8.8
117.03324	2.0
119.04905	28.3
125.02335	3.1
127.03909	2.2
129.01820	40.0
133.02843	7.5
134.03633	10.6
135.04398	41.0
136.04736	2.5
137.02325	7.9
143.05002	1.6
145.02850	10.2
147.02879	2.8
153.01842	15.3
153.03130	2.0
155.03404	15.2
161.02327	21.1
161.04445	2.9
163.03908	53.3
164.04442	1.6
173.04460	46.8
175.03972	1.5
178.02542	2.0
179.03410	37.1
180.03781	1.5
190.02606	6.3
191.01912	4.1
191.05533	25.1
192.06168	1.4
193.04958	3.2
205.03397	21.8
205.05026	3.4
249.08194	1.4
307.06107	2.1
319.08255	9.3
323.13470	1.7
335.07736	15.3
336.38409	1.5
337.09335	11.2
353.08792	21.4
499.12354	10.1
499.18909	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	499.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.3
57.03324	8.2
59.01251	8.9
65.03826	2.2
67.01756	4.4
69.03325	1.2
71.01255	7.5
73.02811	2.6
80.85665	1.1
81.03304	1.6
83.01257	4.9
83.04877	2.7
83.49795	1.4
85.02817	52.4
86.03183	1.1
87.00737	3.8
93.03334	20.2
97.02821	1.2
101.02319	4.0
102.67370	1.1
107.04882	1.8
108.02061	1.5
109.02831	26.7
111.00771	10.5
111.04393	16.8
113.02333	2.4
117.03366	5.1
119.04914	48.8
120.05258	1.5
125.02369	1.3
125.08341	1.2
126.70254	1.0
127.03915	2.1
129.01825	19.9
133.02849	13.2
134.03664	8.8
135.04413	76.5
136.04750	2.1
137.02335	16.3
145.02849	22.1
153.01825	20.6
155.02191	1.9
155.03397	30.2
161.02350	34.8
161.04399	1.9
163.03911	100.0
163.37860	1.1
164.04276	3.1
173.04463	85.8
174.04832	2.6
175.03900	1.4
178.02718	1.4
179.03410	73.5
180.03780	2.6
191.01874	3.7
191.05547	27.0
193.05078	1.6
203.03400	1.6
205.03415	11.4
205.04951	1.5
255.06757	1.3
293.10303	1.4
307.06082	2.1
319.08237	19.9
320.08575	1.5
323.13184	1.4
335.07681	30.4
336.07907	2.3
337.09286	27.6
338.09625	1.7
353.08713	44.7
354.09253	1.6
392.17587	1.1
407.98740	1.2
499.12399	25.3
499.18469	7.5
500.12750	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	497.2753
Annotation	Simplexin I
Peak:m/z	Relative Intensity
50.65191	1.1
55.29110	1.1
57.03310	1.7
58.09389	1.1
59.01248	51.2
68.91550	1.1
71.01247	26.7
71.37650	2.1
72.99162	1.7
73.02812	22.0
76.71805	1.3
78.95768	1.0
83.01255	7.3
85.02809	5.0
87.00744	2.7
89.02306	7.7
99.00783	1.8
101.02310	18.3
101.02921	1.8
109.83318	1.0
113.02330	6.0
119.03384	2.0
125.02285	1.1
134.64049	1.0
145.62392	1.0
147.35884	1.1
155.03476	1.2
161.04486	1.4
179.14429	1.1
197.11833	1.2
205.15958	1.4
209.11772	2.5
211.13338	3.4
223.13443	2.9
275.20123	8.3
277.21732	1.8
293.21219	30.4
294.21472	3.2
375.54910	1.2
423.27606	1.7
437.25311	6.9
455.26425	14.8
456.26617	1.6
497.27509	100.0
498.27759	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.9
56.43802	3.7
57.03316	3.5
59.01246	82.5
71.00935	4.4
71.01257	43.2
71.58588	5.7
73.02812	24.6
75.00726	4.4
83.01253	15.7
84.19880	3.3
85.02821	33.5
87.00733	4.8
88.33479	3.8
89.02348	8.6
93.03291	4.9
95.01249	5.9
99.00771	6.9
99.04414	4.5
99.86307	4.1
101.02318	48.9
108.02052	7.5
109.02840	4.9
109.73502	3.7
113.02274	20.4
122.29178	3.4
125.02312	6.4
142.34927	3.5
152.01031	10.4
159.02893	4.6
161.04457	11.1
168.83635	3.8
285.04138	6.5
285.99338	4.4
289.96881	3.8
291.18143	79.1
292.18146	4.0
327.04535	4.2
329.23514	10.3
437.23849	100.0
438.23978	8.6
497.21060	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1662
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
50.53191	0.5
55.43576	0.5
57.03305	1.5
59.01251	2.8
67.01747	0.6
69.03326	4.0
69.50719	0.9
69.51117	3.5
71.00920	0.6
71.01255	5.3
71.65385	0.5
73.02816	0.7
78.95749	0.5
83.01266	1.2
85.02820	4.3
87.00751	0.9
89.02292	1.2
93.03326	1.9
95.01260	7.8
97.02811	3.0
99.00784	0.7
101.02312	1.3
108.02045	2.1
109.02818	2.1
110.28490	0.5
111.00755	1.1
111.04363	0.6
113.02350	1.1
121.02786	1.1
123.00764	67.5
124.01558	28.1
125.02334	31.6
126.02572	0.7
129.01801	1.7
133.02882	0.8
134.03642	0.7
135.04343	0.8
137.02322	1.5
137.54761	0.7
139.11137	1.7
149.02339	2.3
149.99487	27.5
151.00273	1.2
151.03874	0.8
151.07530	0.7
152.01001	1.1
153.01837	0.8
156.91670	0.5
161.02405	1.4
161.04482	0.6
163.03893	1.6
163.62189	0.6
166.99742	3.2
167.03406	19.5
168.00546	59.4
169.01205	3.7
173.04494	1.5
175.03831	0.8
179.03336	0.7
181.45462	0.5
183.10175	1.6
190.02701	1.0
191.03416	4.5
191.05527	2.6
195.02893	2.1
205.05013	0.7
269.06656	7.4
270.07120	0.7
299.05502	0.8
313.05627	36.9
314.05963	1.6
331.06693	5.9
497.16611	100.0
498.17075	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	495.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	3.7
57.03323	4.3
58.00457	1.4
59.01252	78.0
60.01573	1.0
61.16790	0.6
61.98682	0.6
68.14522	0.7
69.03323	2.3
69.54897	1.8
69.55309	2.9
71.01254	60.2
72.01624	1.0
72.99174	3.0
73.02818	25.4
75.00732	2.3
81.03317	1.1
81.32575	0.6
83.00794	1.3
83.01255	16.4
84.02046	1.3
85.02821	30.0
85.46354	0.7
85.55202	0.6
87.00754	2.9
89.02314	10.1
93.03326	0.8
95.01266	4.3
95.03576	0.6
97.02812	3.1
98.19877	1.0
99.00752	8.5
101.02320	47.6
103.03882	5.7
108.02024	0.8
109.02821	1.5
113.02332	22.3
115.03912	1.1
119.03385	4.9
125.02337	8.8
127.03952	0.8
127.11175	1.5
129.01814	1.4
131.03381	0.8
131.88161	0.6
135.04459	0.7
136.15500	0.6
137.02321	1.3
143.03412	3.1
145.04964	1.4
147.04433	1.0
152.01025	0.8
153.01944	0.9
159.02917	3.9
159.23705	0.6
160.01537	0.7
161.02356	1.0
161.03189	1.1
161.04471	21.9
162.80179	0.6
163.06023	4.3
175.03990	0.8
190.02618	1.2
191.05510	1.3
193.12302	0.9
205.05161	0.7
205.07062	0.9
211.13191	1.2
215.12820	1.6
229.07121	1.5
247.08212	3.8
284.94995	0.7
285.04114	2.2
289.16559	60.9
290.16837	4.1
307.10355	2.2
327.21655	2.2
387.86862	0.8
435.22318	100.0
436.22687	11.1
495.12207	0.9
495.23907	1.5
495.30713	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	4.4
57.03318	5.3
59.01250	75.4
61.98699	1.2
62.26458	1.0
66.05122	1.5
67.93729	1.0
69.03349	2.4
69.27287	8.9
69.27691	2.9
71.01252	51.0
72.99190	1.9
73.02818	21.5
75.00745	1.4
81.03330	1.4
83.01257	16.1
85.02817	25.6
85.99963	1.1
87.00751	3.5
87.04389	1.5
87.25956	0.9
89.02329	9.0
93.03300	1.3
95.01260	4.7
97.02850	3.4
99.00749	14.2
101.02319	48.2
103.03931	1.7
108.02061	5.7
109.02835	3.3
111.00754	3.9
113.01530	1.3
113.02322	22.9
114.02674	1.6
119.03396	2.3
119.04866	1.6
120.31312	1.2
123.00782	1.7
125.02338	11.3
134.03654	2.3
137.02316	1.8
139.00264	6.5
141.01837	28.0
143.03365	3.2
145.04965	1.4
152.01048	11.6
153.01825	2.2
159.02872	3.6
160.01552	5.6
161.02380	1.4
161.04465	15.1
163.06046	2.1
167.03435	2.0
168.00508	2.6
175.03918	8.1
193.04945	1.5
203.81235	1.0
219.53218	1.0
275.51370	1.2
289.16565	75.2
290.16812	5.1
295.65091	1.1
349.22198	2.6
381.31348	1.1
435.22324	100.0
436.22632	8.9
451.15668	2.6
495.14612	3.5
495.31372	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	495.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25309	1.0
59.01254	5.4
61.66644	1.0
65.00192	2.3
65.03845	1.4
67.24703	1.0
67.98148	1.0
69.03336	3.0
71.01246	1.4
71.58085	1.7
85.02832	1.7
91.05412	2.7
93.03321	1.4
96.95907	1.1
98.91443	1.1
107.01258	4.4
108.02065	3.2
109.02826	7.1
116.98186	1.1
121.02837	19.8
123.00734	1.8
123.04393	4.1
124.01510	2.7
125.02326	4.9
133.02803	2.3
134.03622	3.3
135.04405	34.2
135.05432	2.0
136.01556	4.1
137.02310	2.6
139.03860	1.0
142.09587	1.2
147.04427	3.2
149.02330	5.6
150.03102	10.9
150.75929	1.0
151.00262	14.7
151.03856	2.0
152.00995	1.6
160.01581	1.4
161.02304	13.4
162.02856	1.6
163.03900	1.9
164.01057	4.6
164.04666	4.9
165.05472	4.5
165.12778	2.9
174.03146	2.2
175.03975	2.2
176.04692	10.5
176.68520	1.1
177.01823	3.2
179.03398	22.9
179.06953	8.0
180.03824	1.3
183.13860	2.2
184.05267	1.1
185.02458	1.4
191.07088	7.1
192.04205	2.2
194.05753	28.1
196.00023	4.5
198.03073	2.2
199.03929	9.8
201.01773	2.7
205.04869	1.3
209.08124	100.0
210.08487	4.8
211.03937	1.2
211.13342	2.2
213.01775	1.3
213.05498	2.3
214.02499	1.5
215.03470	3.1
224.04536	1.1
226.02682	1.5
226.06506	1.1
227.12672	1.3
229.14331	1.6
241.05067	3.6
242.02141	5.2
243.02840	2.4
255.03041	1.6
255.06548	1.2
256.03583	2.0
257.04581	8.9
269.04541	1.2
270.01715	7.4
270.05295	11.7
271.02393	6.1
271.06000	7.5
272.06921	6.1
284.03122	1.4
285.04086	54.1
285.07642	9.0
286.04626	10.4
286.08414	8.9
287.05899	2.3
287.09180	16.9
287.49188	1.2
465.11713	6.8
471.16263	1.2
477.11719	3.4
495.12332	5.7
495.22986	2.7
495.29657	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	495.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69245	0.3
54.42387	0.3
57.03331	0.7
58.67032	0.3
59.01250	4.2
61.98702	0.8
67.08261	0.3
69.03320	2.1
69.53632	1.3
69.54073	1.3
71.01257	4.4
72.99171	0.6
73.02826	1.3
75.00748	0.4
78.01287	0.3
81.03328	0.9
83.01249	0.8
85.02820	4.3
87.00763	0.7
89.02313	1.3
91.54277	0.3
93.03329	1.6
95.01273	1.9
97.02836	1.5
99.00762	0.5
101.02338	2.2
107.01284	0.9
107.04915	0.9
108.02053	64.6
109.02864	15.7
109.03533	0.3
111.00786	0.4
111.63621	0.4
113.02319	1.8
115.00262	0.4
119.04926	0.6
121.02819	1.2
123.00803	2.1
123.04395	0.9
124.01581	0.5
125.02345	3.8
129.01788	0.4
132.02051	1.1
133.02870	0.9
134.03595	1.8
135.00821	0.6
135.04399	1.7
137.02350	1.3
138.03157	0.4
145.02885	0.4
147.04396	0.7
149.02353	0.4
149.99600	0.3
150.03110	0.4
151.00299	2.3
151.03894	1.0
152.01057	100.0
153.01852	9.7
153.09109	9.6
154.09407	0.4
159.04446	1.2
160.01547	4.3
161.02298	0.8
161.04468	0.9
163.03926	2.3
165.01830	0.3
167.03340	0.6
168.00526	0.3
173.04507	0.6
175.03926	4.4
177.01807	2.8
179.03447	0.8
179.07072	0.4
184.05766	0.3
189.01817	2.9
190.02550	0.7
191.03413	0.7
191.05579	1.5
193.05009	1.4
197.08090	0.4
203.03430	0.4
205.05074	0.5
216.00519	0.5
217.01360	2.1
219.02933	1.0
231.02954	0.5
271.06012	0.4
281.04578	0.6
289.07236	0.4
297.06137	5.5
299.08868	0.3
315.07297	1.8
333.26285	0.5
341.06653	5.8
343.74765	0.3
355.08194	0.6
435.21808	0.5
451.16074	33.9
452.16177	2.8
477.13937	0.8
495.14993	62.4
495.30945	1.4
496.15341	6.4
496.91776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1509
Annotation	Oxypaeoniflorin
Peak:m/z	Relative Intensity
56.70565	0.5
57.03324	1.0
57.35276	0.4
59.01258	4.7
61.98713	0.8
65.00236	0.5
69.72524	2.8
71.01251	2.8
75.00761	0.5
85.02832	1.9
87.00775	1.2
89.02346	1.5
93.03319	2.3
95.01295	0.6
96.32449	0.4
98.19836	0.6
99.00780	1.1
101.02345	2.1
108.02081	2.1
109.02874	1.9
111.00793	1.8
111.04462	0.6
113.02361	1.9
119.03403	0.7
119.04898	0.7
121.02799	0.6
123.00791	3.1
123.04422	0.9
124.01554	10.9
124.02412	0.6
125.02367	2.2
133.02835	0.6
134.03618	0.5
135.04388	0.5
136.01587	3.3
137.02351	34.9
138.03090	1.5
139.00304	2.1
139.03915	2.7
140.01071	0.9
141.01874	1.0
149.02379	2.1
149.99440	0.5
150.03136	4.7
151.00328	0.7
151.03923	18.1
152.01064	2.2
152.04262	0.5
153.01848	4.7
154.02657	1.3
155.03416	1.0
159.04494	0.5
161.02278	2.2
162.03160	0.7
163.03943	1.0
164.01077	1.1
165.01862	8.0
165.05495	1.9
166.02634	29.2
167.03435	2.7
173.04494	1.7
173.05934	0.6
175.03857	1.1
177.01860	0.9
178.02559	2.1
179.03462	4.9
180.04144	0.6
181.04974	5.7
185.06053	0.5
189.05675	0.5
190.02654	0.7
191.01756	0.6
191.03445	7.3
191.05524	1.8
192.03911	0.7
193.04994	2.8
205.05009	0.7
207.06560	0.5
212.04773	0.5
213.05519	1.8
217.04877	0.9
227.03278	1.0
229.04984	1.0
231.06566	0.7
239.03601	0.6
240.04221	1.5
241.05048	1.9
242.02138	0.8
243.02977	0.5
246.05383	0.5
256.03790	4.9
257.04617	2.6
259.06033	1.0
269.04504	1.5
271.02518	1.3
276.16095	0.6
284.03195	4.1
285.04010	9.4
286.04663	3.0
287.02335	0.6
287.05563	1.4
299.05588	0.9
300.06406	1.2
301.03888	0.9
301.07202	1.4
302.04337	4.9
303.05130	4.9
303.08496	1.1
315.08902	0.6
316.06033	0.9
317.06644	8.8
318.07431	54.2
319.07874	4.4
331.07935	1.3
332.09113	3.2
333.09793	100.0
334.10089	7.6
435.25769	0.8
480.12674	4.2
481.13257	0.5
495.15042	38.2
495.30972	1.0
496.15497	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	495.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18999	0.8
59.01237	4.3
63.02253	1.1
65.00186	5.4
65.03824	1.1
69.03329	1.5
71.01247	1.7
79.34766	0.8
83.01262	3.5
91.05428	2.6
93.03334	1.0
95.01283	2.2
99.00750	1.1
104.56315	0.9
107.01276	9.4
107.04932	1.1
108.02051	5.4
109.02821	6.1
121.02832	11.4
123.00761	2.3
123.04382	1.9
124.01563	2.4
125.02330	3.6
125.09653	1.1
133.02831	2.5
134.03662	5.3
135.04404	35.9
136.01544	4.8
137.02336	1.7
143.04886	0.9
145.02824	1.4
147.04399	2.6
149.02357	6.2
150.03134	6.3
151.00269	22.5
151.03873	3.0
155.04913	2.3
160.01617	1.0
161.02344	14.6
163.03928	2.2
164.01079	6.9
164.04684	3.9
165.01816	1.6
165.05458	3.4
167.03308	0.9
171.04401	1.8
171.10260	1.0
173.02298	1.1
173.06038	1.2
174.03075	4.9
175.03949	4.5
176.04689	10.1
177.01871	2.4
179.03413	17.5
179.07048	5.2
185.02345	2.3
185.05981	1.6
187.03932	2.0
189.05458	1.3
191.07063	4.6
192.04185	1.1
193.04996	1.5
194.05754	21.7
195.06177	1.1
196.00021	6.4
197.05949	1.1
198.03137	3.3
199.03900	17.7
200.04582	1.7
201.01845	4.3
201.05383	0.9
207.06526	1.3
208.90332	0.8
209.08112	64.6
209.11392	1.6
210.08447	2.9
211.03902	1.6
211.13298	1.2
213.01924	4.9
213.05482	2.7
214.02571	1.2
215.03435	3.6
217.04936	1.7
225.01843	2.0
225.05576	1.0
226.02640	2.7
227.03438	3.0
229.05116	1.5
229.59900	1.1
239.03348	1.1
241.04997	3.9
242.02129	8.7
242.05806	2.1
243.02829	4.3
253.01282	0.8
253.04951	1.6
255.02946	2.8
256.03458	3.6
257.04547	10.4
258.05124	1.2
268.03757	2.4
269.00836	1.4
269.04462	1.2
270.01675	14.6
270.05292	8.5
271.02448	13.9
271.06067	3.9
272.03174	1.2
272.06824	3.8
283.02679	1.2
284.03049	3.1
285.04034	100.0
285.07510	6.4
286.04648	18.9
286.08340	5.1
287.05496	4.1
287.09238	9.0
299.05551	1.4
301.07047	3.5
465.11844	11.0
477.11328	5.7
495.12506	13.1
496.13074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	9.7
63.02262	1.6
65.00184	10.5
66.47253	0.9
71.01240	2.0
73.02808	1.0
78.95766	1.2
80.02525	1.6
83.01247	5.5
85.02792	1.1
89.02290	1.1
93.03316	1.7
95.01267	1.2
96.95886	1.1
107.00526	1.1
107.01262	17.6
107.04881	1.0
108.02064	7.7
109.02847	2.3
113.02298	1.8
121.02837	1.8
123.00636	1.0
124.01553	1.7
125.02319	8.7
133.02805	2.1
134.03630	10.3
135.04405	38.5
136.01573	7.7
136.04742	1.4
137.02322	2.9
143.04900	1.4
145.02756	1.0
147.04395	2.9
149.02309	2.5
151.00259	46.5
152.00801	1.3
152.99480	1.1
155.04906	5.3
159.04402	1.4
160.01524	1.7
161.02370	5.0
163.03903	0.9
164.01045	13.2
164.04739	1.7
165.01804	1.8
169.01314	1.8
169.06403	1.1
171.04387	3.1
171.10168	2.7
173.02368	2.3
173.05991	1.5
174.03119	5.9
175.03937	5.5
176.04657	3.0
177.01842	2.7
179.03477	4.5
179.07002	3.7
183.13852	2.2
185.05952	2.5
187.03935	2.2
188.04686	1.5
189.05460	3.3
189.66422	0.8
191.07019	1.6
194.05710	3.7
196.00041	12.9
197.05986	2.4
198.03143	3.1
199.03918	26.2
200.01106	1.1
200.04416	1.5
201.01880	7.5
202.02226	1.0
209.08110	5.8
209.11740	9.7
211.03876	1.4
211.13300	12.9
213.05534	4.2
214.02618	0.9
215.03448	5.7
215.12810	7.4
216.04230	1.5
217.05048	5.2
221.22174	1.2
227.12805	1.5
229.05013	2.4
229.60202	1.1
239.03447	1.9
241.04971	7.6
242.05759	2.5
245.24942	1.0
249.14857	1.0
253.09344	1.1
256.03806	0.9
257.04492	12.0
258.05151	2.7
268.03854	1.0
285.04016	100.0
286.04697	22.8
287.05484	4.1
299.05447	1.6
301.07065	2.8
311.05634	1.0
360.07495	1.2
369.09625	1.7
465.11877	6.1
477.11670	5.0
495.12683	19.4
496.13574	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.078
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
57.03312	1.4
59.00985	1.7
59.01249	17.5
63.02261	3.2
65.00189	10.2
67.01755	2.9
68.99670	2.9
71.01250	10.1
71.58181	1.2
72.99166	1.9
73.02818	2.7
75.00731	4.4
79.01735	1.9
81.03333	1.1
83.01253	5.4
83.04864	1.1
85.02818	4.8
85.39317	1.0
87.00738	4.1
87.70200	1.0
89.02309	5.1
93.03323	3.3
95.01259	7.8
96.95899	1.5
96.99183	1.8
97.02814	2.6
99.00750	2.8
101.02323	5.6
106.00444	5.1
107.01257	7.7
108.02036	3.5
109.02834	12.7
109.99982	1.7
111.00742	11.5
113.02320	4.5
115.03889	1.5
115.05373	1.1
115.99249	1.2
117.03381	1.6
119.03349	1.6
119.04893	2.9
120.99155	1.5
121.02837	3.5
123.00777	13.3
123.04369	2.2
124.01558	6.1
124.98667	3.4
125.02335	11.0
131.04919	1.8
132.02148	1.4
132.52716	1.1
133.02873	5.3
133.99986	1.0
135.00745	3.7
135.04372	3.6
136.01541	1.3
136.98706	3.3
137.02324	4.9
137.99414	1.7
139.00267	12.7
139.03850	1.5
140.01038	1.3
141.01808	3.3
143.04913	4.6
145.02811	3.4
146.03561	1.8
147.04407	3.9
148.01559	3.1
148.98679	2.1
149.02357	6.6
149.99477	7.2
150.03082	1.6
151.00269	25.0
151.03902	2.3
152.01106	5.5
153.01851	9.7
154.99730	1.9
155.04750	1.3
157.02794	1.4
159.04424	7.3
160.01593	1.7
161.02333	8.8
161.04483	2.0
162.03029	1.3
163.00233	4.8
163.01451	1.1
163.03923	3.7
164.01054	2.3
164.98193	3.5
165.01863	2.8
165.99016	2.3
166.99814	6.1
167.03452	1.3
168.00560	7.9
169.01295	4.9
169.02600	1.0
171.04393	5.1
173.02342	5.1
173.04520	2.1
174.03085	2.6
174.04759	1.0
175.00357	2.4
175.03928	12.0
176.01030	1.5
177.01889	5.9
177.05565	1.3
177.99014	9.6
178.99786	31.4
179.03343	2.6
180.00330	2.3
181.98480	1.3
185.02316	1.7
186.03242	1.3
187.03926	12.3
188.04558	1.7
189.01857	6.8
189.05550	1.7
190.02568	4.4
190.99792	2.1
191.03387	3.4
191.05412	2.6
192.00676	1.9
193.01349	4.7
194.99268	3.9
195.02956	1.1
199.03935	7.9
201.01816	4.0
202.02661	3.0
203.03430	15.3
204.04230	1.8
204.97765	1.7
205.01350	2.7
205.04965	3.3
206.99275	3.5
207.02890	3.2
207.99953	2.1
209.00809	2.8
213.01857	3.3
214.02621	4.2
215.03416	13.4
216.04036	2.5
217.01364	4.8
217.04930	2.0
218.02188	2.0
219.02945	5.5
222.98773	3.5
223.99529	1.8
226.02631	1.5
226.06734	1.3
227.03430	3.1
229.01350	3.9
230.02089	2.9
231.02959	10.5
232.03705	15.5
233.00883	2.3
233.04497	14.7
235.02322	1.5
241.01332	3.4
242.02113	2.7
243.02963	19.2
244.03374	1.2
245.00903	4.2
245.04485	3.6
246.01495	1.5
247.02409	3.8
257.00748	3.5
258.01672	6.7
259.02417	12.1
260.03119	5.6
261.04010	6.0
269.00906	2.4
270.01614	2.5
271.02478	38.8
272.02814	3.3
275.01962	1.9
286.01157	5.5
287.01962	48.3
288.02649	11.0
289.03442	9.5
297.00400	6.9
299.01950	34.1
299.05341	2.4
300.02600	4.9
301.03662	2.2
303.01373	3.8
304.01965	1.4
305.02814	2.5
314.00589	3.7
315.01450	100.0
316.01822	6.3
317.02899	1.9
321.09845	3.1
332.01721	15.3
333.02444	13.3
333.09625	1.6
343.06625	1.3
348.75693	1.3
355.06729	4.4
359.06143	6.4
360.06888	1.2
395.09891	11.3
398.23917	1.3
423.09262	4.0
434.24670	2.8
435.25006	2.1
449.07211	1.9
451.08725	3.8
451.32813	4.4
452.33466	2.0
462.08075	9.6
463.08588	2.4
467.08182	3.2
477.06717	8.8
478.06824	1.9
495.07751	78.5
495.19794	3.3
495.31729	4.4
496.08154	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	493.2807
Annotation	Herkesterone
Peak:m/z	Relative Intensity
55.97432	1.0
57.03311	2.1
59.01255	6.0
69.03301	1.3
70.02625	5.9
73.73298	1.1
74.09921	1.1
83.04894	2.4
87.83768	1.2
95.04907	2.9
96.95888	1.9
97.02843	2.0
97.06462	1.6
98.19878	1.3
98.92844	1.1
104.44338	1.3
106.04088	1.4
109.06456	7.1
110.65334	1.4
125.02355	3.1
125.09609	6.1
135.07970	1.5
151.11224	1.3
163.11208	7.3
171.10242	4.1
183.13795	7.5
185.11774	7.3
189.09125	2.7
193.12318	4.1
207.10194	22.2
209.11734	1.8
211.13324	100.0
212.13690	4.9
221.15356	3.2
223.13258	1.9
225.11264	43.0
226.11638	1.3
231.13791	1.4
247.13359	3.2
249.14986	2.8
265.62988	1.5
275.12778	1.5
281.13840	2.9
299.14990	4.8
303.23325	1.5
339.23389	3.5
357.24442	2.4
373.23795	3.3
375.21512	2.7
375.25717	1.9
383.22260	9.0
384.22720	1.3
401.23413	9.9
402.23248	1.5
447.27271	1.3
449.25439	4.1
457.25916	4.7
475.26999	33.3
476.27249	4.6
478.17056	1.5
493.27780	12.9
494.28549	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	493.281
Annotation	Herkesterone
Peak:m/z	Relative Intensity
59.01249	6.6
60.72169	3.0
71.58536	3.7
74.72734	3.8
97.02827	5.1
109.06468	9.5
117.22584	2.9
122.57954	2.8
123.08022	4.4
125.09617	12.4
135.08005	3.4
136.48277	2.9
145.78285	3.1
154.38486	2.9
163.11195	8.4
171.10152	15.5
183.13812	8.6
185.11757	18.9
187.09738	4.5
201.11285	3.7
207.10210	35.2
209.11777	9.5
211.13350	100.0
221.15456	7.9
223.13412	4.4
225.11264	17.0
233.11714	3.7
235.13483	3.7
237.14758	5.1
247.13371	10.3
249.14963	5.8
251.12776	4.4
265.14334	3.9
299.14993	4.2
300.18628	3.1
339.23236	8.8
365.21271	3.9
373.23984	5.6
383.22339	21.9
401.23434	20.7
405.83017	3.9
419.24661	5.4
447.27310	7.2
449.25323	3.9
457.25775	10.9
475.26965	78.7
476.27307	9.4
493.28152	53.7
494.28287	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	493.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	2.2
57.03319	5.0
58.00463	2.7
59.01249	100.0
60.01574	2.9
61.98698	67.3
67.01763	1.6
69.03326	1.7
69.41569	2.6
69.41959	11.8
71.01250	58.5
71.04895	1.9
72.99181	7.4
73.02822	10.5
75.00743	4.1
75.95179	1.2
83.01262	4.6
83.04897	1.8
85.02818	19.9
87.00753	6.9
89.02312	55.3
91.76888	1.3
93.03320	3.0
95.01258	4.9
95.04908	1.8
96.95877	4.3
99.00739	4.6
101.02321	38.7
108.02083	6.6
109.02861	2.6
109.97917	1.3
111.00764	2.0
113.02328	29.5
119.03380	24.1
119.04879	2.9
121.02847	2.6
123.00739	1.8
123.04372	1.6
125.02315	8.3
129.01813	2.0
131.03419	2.7
134.03574	2.4
135.04457	2.8
137.02350	3.0
139.00249	2.5
143.03403	5.7
145.02852	1.9
149.02341	1.9
149.04430	2.8
149.05991	3.8
150.03195	1.8
151.03949	1.6
152.01065	5.4
153.01762	4.7
155.03392	2.0
159.02873	3.1
160.01569	1.6
161.02289	4.0
161.04443	16.3
163.03922	2.5
165.01805	1.9
173.04492	3.1
175.02486	2.1
175.03891	2.4
176.01024	2.2
177.01875	3.0
179.03337	1.9
179.03964	1.8
179.05502	16.4
190.02559	2.0
191.03447	2.9
191.05612	4.6
195.02954	1.8
195.06549	1.5
195.13730	1.8
198.06769	1.7
199.07562	2.0
229.14523	2.6
236.05400	1.5
253.18178	1.8
267.42697	1.4
268.03650	7.8
269.04559	3.7
271.19113	7.1
285.03775	2.1
286.04309	1.5
287.04871	1.8
315.07312	1.9
331.08105	2.7
348.24451	1.4
361.18750	2.5
382.34741	1.4
431.09729	8.2
433.24429	40.6
434.24710	4.5
493.11508	10.2
493.22964	5.8
493.30243	4.2
494.12088	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	1.7
57.03332	3.9
58.00471	3.7
59.01249	100.0
61.98693	12.4
69.03304	2.6
69.53138	5.8
69.53565	4.6
70.65614	1.3
71.01250	58.9
71.04909	1.4
72.99187	6.8
73.02817	7.4
75.00752	2.2
81.03313	1.8
83.01264	4.6
85.02815	16.2
87.00754	6.2
87.04396	2.0
89.02309	56.2
93.03315	3.4
95.01261	6.3
99.00780	5.4
99.04400	1.9
101.02315	37.4
106.50736	1.6
108.02074	7.5
109.02843	3.3
109.77058	1.5
110.03152	1.5
111.00749	2.4
113.02319	24.9
119.03389	24.5
120.03725	1.5
121.02815	2.3
122.06094	1.4
123.00797	1.8
125.02331	7.8
129.01773	1.5
131.03450	4.3
134.03665	1.9
135.04375	4.3
137.02344	2.8
139.00258	2.6
141.03708	1.4
143.03378	7.5
149.02393	1.6
149.04501	2.3
149.05997	3.6
152.01082	7.3
153.01765	4.4
159.02907	1.3
161.02304	3.2
161.04472	12.3
163.03949	3.3
165.01871	3.0
173.04472	2.7
175.03912	2.6
176.01059	2.0
177.01846	1.9
179.05511	22.9
187.03839	2.1
190.02617	1.7
191.03358	2.5
191.05537	3.7
193.05106	1.9
195.06583	2.5
198.06750	9.6
199.07590	7.9
238.59521	1.4
271.19128	4.3
285.03940	1.5
286.04041	2.0
287.01993	3.3
287.04956	2.2
315.01474	3.4
331.04633	2.8
331.08121	3.6
361.12985	3.9
361.18625	2.0
433.24380	51.3
434.24698	5.3
451.25009	1.8
493.10349	12.5
493.30045	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	493.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73716	2.3
57.03323	3.0
58.00478	3.2
58.17532	2.7
59.01249	42.5
60.37280	2.3
62.60601	2.3
71.01257	32.5
71.53309	5.1
72.98767	5.6
72.99178	100.0
73.02794	3.4
78.92445	2.6
81.03333	8.0
83.01273	2.9
85.02803	12.0
89.02318	31.2
93.03429	2.9
94.61540	2.7
95.01241	3.7
99.04388	14.8
101.02319	22.9
109.02832	3.3
113.02346	16.3
119.03358	15.4
125.02288	2.7
147.26270	2.5
153.01852	3.2
161.04466	3.5
166.98398	2.4
179.05560	5.3
191.05602	3.7
335.95212	2.4
371.09689	2.7
475.17990	3.2
493.19495	27.2
494.19534	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	493.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12175	0.4
50.45657	0.5
51.07958	0.5
55.01747	0.5
57.03320	2.5
59.01249	36.7
65.82524	0.5
67.01736	0.6
68.99672	1.2
69.03310	1.1
69.56258	0.9
69.56673	3.2
71.01250	12.6
72.99184	4.6
73.02818	2.7
75.00747	9.3
81.03341	0.6
83.01257	1.0
85.02824	11.1
87.00750	4.3
89.02309	4.2
93.03351	0.9
95.01255	3.0
97.02835	0.6
99.00754	6.7
101.02319	2.4
103.00244	1.0
109.02836	0.7
111.00726	0.9
113.02322	10.4
113.03065	0.9
115.00255	1.4
117.01820	1.7
119.03325	0.6
124.01573	0.5
125.02336	1.7
129.01836	1.0
133.02815	0.5
137.02220	0.5
139.00203	0.5
139.11177	12.6
143.35391	0.6
148.25719	0.5
150.03090	0.6
151.00269	1.0
153.01775	0.6
157.01340	0.7
161.02298	0.9
161.04480	1.3
163.11176	0.6
165.05510	0.9
168.00363	0.6
175.02385	0.9
175.03886	0.6
181.12248	5.3
183.10190	10.1
191.05511	0.5
199.13333	1.0
225.11272	3.4
225.15219	0.5
231.05052	0.9
243.12291	3.4
249.06143	7.3
287.07803	0.6
305.22974	0.5
317.16055	5.5
357.56665	0.5
361.82925	0.5
431.19122	1.8
433.17139	4.1
433.23792	2.9
451.25677	0.8
475.18207	4.5
493.19241	100.0
494.19626	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	493.114
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
52.46691	0.3
52.73787	0.2
59.01241	1.2
63.02267	0.8
65.00181	1.4
69.26716	2.5
71.76655	0.3
83.01251	1.0
89.55666	0.3
93.03323	0.3
98.19693	0.5
101.41360	0.3
104.02548	0.4
107.01267	3.4
121.02869	0.6
125.02316	0.7
132.02068	0.7
133.02835	14.1
134.03166	0.7
149.02359	2.4
151.00267	8.5
152.00697	0.6
159.04349	0.3
163.03815	0.3
171.04411	0.6
171.10170	0.5
175.00296	0.5
175.03928	4.0
178.08032	0.3
183.04562	0.6
185.06036	0.4
187.03966	0.5
189.05476	0.4
190.02570	1.4
194.05687	0.3
197.05899	0.4
197.11557	0.3
198.03169	0.5
199.03900	3.7
200.04510	0.3
201.01863	1.6
205.04965	1.1
209.11838	0.5
211.03925	0.6
213.05545	0.4
214.02487	0.3
215.03404	0.6
217.04980	1.8
223.04013	0.5
227.03439	1.9
239.03339	0.4
241.05028	1.1
242.02122	0.4
243.03003	1.1
255.02954	22.2
256.03720	27.5
257.04221	2.0
267.02863	0.4
269.04337	0.6
281.04550	0.6
283.02472	39.3
284.03235	69.8
285.04007	100.0
286.04373	7.3
297.03918	0.3
298.04733	0.4
326.04294	1.1
327.05066	0.6
435.10800	0.6
463.10300	0.6
475.10049	1.5
493.11401	10.4
493.26907	0.6
494.11673	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	493.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70493	0.8
59.01255	8.0
59.41733	0.8
60.51103	0.7
62.41516	0.8
63.02287	1.0
65.00200	1.6
75.00758	1.0
83.01277	1.1
83.04894	1.0
85.02840	1.3
96.95933	1.1
101.02356	1.5
107.01282	4.0
113.02322	1.0
119.04907	0.9
121.02818	1.8
125.02346	1.9
132.02055	1.1
133.02850	13.7
137.02371	0.9
147.04414	0.8
149.02364	3.2
151.00296	8.0
160.84120	2.0
161.02406	0.9
162.83788	6.8
171.04503	1.0
171.10231	2.4
175.03937	3.3
179.03383	1.2
183.04402	1.6
185.02548	0.9
199.03958	4.4
201.02005	1.4
209.11761	3.9
211.03888	1.0
211.13206	1.0
217.04968	1.5
227.03513	3.1
237.13557	0.9
241.04980	1.3
243.03009	1.0
247.13478	1.3
255.02977	45.5
256.03735	34.8
257.04276	3.4
283.02475	65.1
284.03244	98.0
285.04025	100.0
286.04459	4.8
326.04245	1.0
327.04871	0.9
401.23279	0.9
435.10495	0.9
463.10217	2.0
475.10382	3.1
493.11407	12.9
494.11838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92075	0.3
59.01248	5.0
61.21109	0.3
71.01248	3.3
71.57767	0.5
73.02808	1.1
81.24566	0.3
85.02812	1.0
87.00745	0.7
89.02309	2.7
99.00801	0.3
101.02332	3.2
113.02335	2.0
119.03363	0.8
133.04950	0.4
133.72372	0.3
152.39723	0.3
161.04454	0.9
174.99002	0.4
235.08185	1.4
253.09261	12.4
254.09605	0.5
255.23271	100.0
256.21063	0.5
256.23618	6.7
346.43298	0.3
491.26160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2663
Annotation	Mucronine B
Peak:m/z	Relative Intensity
54.49463	0.3
59.01242	0.7
66.03357	1.4
71.01234	0.4
71.02382	3.2
71.58955	0.3
79.16833	0.2
82.01606	0.8
83.02403	0.4
85.02856	0.2
89.95057	0.3
91.05386	0.4
96.95917	0.3
97.00317	0.7
98.01078	0.5
99.01874	0.5
109.07576	0.3
110.01083	0.3
110.03506	1.6
111.01905	0.6
113.07117	0.4
115.08657	13.2
116.04936	1.9
116.08984	0.4
118.06521	4.0
118.07319	0.5
123.17776	0.3
125.07103	4.0
125.85465	0.2
126.05516	1.9
131.04889	0.4
132.63206	0.3
137.07132	0.3
141.06616	4.9
146.06029	10.9
146.66605	0.2
147.06326	0.4
148.07571	0.5
152.08258	1.3
153.06596	1.1
153.08968	0.5
154.07404	0.4
157.05223	0.4
162.55721	0.2
163.08667	1.5
167.11792	0.6
168.07704	0.7
169.13333	0.7
170.09250	3.1
171.09950	0.4
173.07101	1.4
174.05513	1.1
179.11835	4.4
189.06610	0.5
194.12877	0.9
196.14491	0.8
197.08018	0.4
197.12924	1.4
200.10724	1.5
202.12341	1.1
212.09393	0.3
214.15538	5.1
216.07716	0.6
217.13368	1.9
222.12439	0.8
224.13947	0.4
227.11876	3.1
228.10271	3.0
240.07748	1.8
240.13321	0.8
240.54453	0.3
243.01840	0.3
244.14618	0.6
245.12953	3.4
248.10722	0.9
251.14989	0.3
262.15552	3.2
269.16269	1.3
276.10352	0.7
283.13324	0.3
283.18048	0.5
293.13016	0.3
299.17584	1.0
310.15482	0.8
316.20251	0.5
326.18723	6.7
327.19080	0.5
339.14645	0.3
344.19757	2.7
364.20297	0.3
447.28088	0.3
473.25607	0.5
491.26639	100.0
492.26944	15.7
492.32867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.9
57.03308	3.3
59.01249	100.0
61.98665	1.0
67.01754	0.8
68.99683	1.1
69.03325	3.4
71.01251	27.1
71.04910	1.0
71.58511	1.1
72.99171	4.0
73.02817	8.9
75.00744	7.7
83.01257	2.7
83.04910	1.1
85.02822	15.6
86.38615	0.9
87.00759	6.7
87.04391	2.8
89.02309	10.2
91.01769	2.6
93.03326	3.3
95.01260	4.4
97.02850	1.9
99.00748	6.9
99.04400	2.6
101.02318	14.7
103.12896	0.8
105.03358	1.4
108.02048	7.6
109.02832	6.9
111.04398	2.5
111.08022	0.7
113.02323	18.0
115.00278	1.5
117.01802	1.1
119.03371	4.2
119.04943	1.9
121.02833	2.3
123.00761	1.6
123.04356	0.9
123.08083	1.2
125.02314	2.7
127.63103	0.7
129.01839	1.5
132.02122	0.7
133.02827	1.5
134.03639	5.4
135.00774	3.6
135.04381	6.9
137.02345	1.7
137.09637	4.2
139.00267	0.9
141.01936	1.0
143.03394	2.5
145.02827	0.9
149.02336	2.2
149.04343	0.8
151.00220	3.7
152.01060	12.3
153.01831	14.4
157.06700	0.8
159.02951	1.2
159.04324	1.2
160.01559	4.2
161.02324	3.4
161.04434	10.5
161.09679	0.9
163.03923	2.9
163.11105	0.8
165.01805	1.7
165.05428	1.0
167.03410	2.8
173.04462	3.8
175.02542	1.9
175.03911	4.5
177.01785	0.9
179.03358	1.3
179.05437	1.8
179.10649	2.8
181.04843	0.9
181.08600	2.0
181.12250	1.9
185.00871	1.2
191.03708	1.4
191.05527	25.6
193.04987	2.4
197.11714	2.7
199.13286	2.5
201.05504	1.5
213.09102	2.1
231.04828	0.9
241.05074	1.9
243.06581	4.7
249.06070	6.4
250.06503	0.9
251.16402	1.0
267.07272	6.1
269.04587	5.7
269.17557	6.2
270.01724	1.0
285.04254	1.2
287.05573	10.1
287.09070	2.0
287.18433	1.1
297.06226	1.5
315.07108	3.4
315.14590	1.4
317.10226	2.3
329.06519	2.8
371.20578	2.5
384.32715	0.8
389.21814	3.1
429.17697	1.5
431.22891	8.2
432.22803	0.9
449.23816	2.9
473.16803	1.3
491.11581	14.8
491.17657	52.8
492.12253	1.3
492.18039	6.9
505.01703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.9
57.03308	3.3
59.01249	100.0
61.98665	1.0
67.01754	0.8
68.99683	1.1
69.03325	3.4
71.01251	27.1
71.04910	1.0
71.58511	1.1
72.99171	4.0
73.02817	8.9
75.00744	7.7
83.01257	2.7
83.04910	1.1
85.02822	15.6
86.38615	0.9
87.00759	6.7
87.04391	2.8
89.02309	10.2
91.01769	2.6
93.03326	3.3
95.01260	4.4
97.02850	1.9
99.00748	6.9
99.04400	2.6
101.02318	14.7
103.12896	0.8
105.03358	1.4
108.02048	7.6
109.02832	6.9
111.04398	2.5
111.08022	0.7
113.02323	18.0
115.00278	1.5
117.01802	1.1
119.03371	4.2
119.04943	1.9
121.02833	2.3
123.00761	1.6
123.04356	0.9
123.08083	1.2
125.02314	2.7
127.63103	0.7
129.01839	1.5
132.02122	0.7
133.02827	1.5
134.03639	5.4
135.00774	3.6
135.04381	6.9
137.02345	1.7
137.09637	4.2
139.00267	0.9
141.01936	1.0
143.03394	2.5
145.02827	0.9
149.02336	2.2
149.04343	0.8
151.00220	3.7
152.01060	12.3
153.01831	14.4
157.06700	0.8
159.02951	1.2
159.04324	1.2
160.01559	4.2
161.02324	3.4
161.04434	10.5
161.09679	0.9
163.03923	2.9
163.11105	0.8
165.01805	1.7
165.05428	1.0
167.03410	2.8
173.04462	3.8
175.02542	1.9
175.03911	4.5
177.01785	0.9
179.03358	1.3
179.05437	1.8
179.10649	2.8
181.04843	0.9
181.08600	2.0
181.12250	1.9
185.00871	1.2
191.03708	1.4
191.05527	25.6
193.04987	2.4
197.11714	2.7
199.13286	2.5
201.05504	1.5
213.09102	2.1
231.04828	0.9
241.05074	1.9
243.06581	4.7
249.06070	6.4
250.06503	0.9
251.16402	1.0
267.07272	6.1
269.04587	5.7
269.17557	6.2
270.01724	1.0
285.04254	1.2
287.05573	10.1
287.09070	2.0
287.18433	1.1
297.06226	1.5
315.07108	3.4
315.14590	1.4
317.10226	2.3
329.06519	2.8
371.20578	2.5
384.32715	0.8
389.21814	3.1
429.17697	1.5
431.22891	8.2
432.22803	0.9
449.23816	2.9
473.16803	1.3
491.11581	14.8
491.17657	52.8
492.12253	1.3
492.18039	6.9
505.01703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.2
59.01249	100.0
60.67563	1.1
69.03333	1.4
71.01254	14.9
71.34927	1.4
71.35270	1.9
73.02811	15.1
75.00709	2.0
83.01248	4.2
83.04878	1.7
85.02832	6.1
87.00753	1.9
87.04390	2.4
89.02322	6.1
93.03345	1.5
95.01248	1.6
96.90820	1.0
99.00700	1.7
101.02318	16.8
108.02048	2.5
111.00786	1.2
113.02335	11.1
119.03361	1.7
125.02317	1.4
131.03362	1.5
135.04497	2.0
137.02336	1.5
146.72565	1.0
149.04434	3.1
151.00113	1.1
152.01019	3.1
153.01813	1.7
153.09081	4.2
161.04424	6.1
165.12639	1.9
175.03928	1.5
183.13806	3.2
191.05605	1.1
209.11771	1.5
209.15390	3.9
227.12868	9.1
264.17032	1.1
269.17474	3.9
345.33084	1.2
371.20587	9.1
373.25949	12.1
389.21729	3.6
431.22540	7.7
431.27203	1.1
491.11526	3.4
491.20984	4.2
491.28452	3.5
515.46765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94528	0.3
59.01248	100.0
60.01594	0.9
71.01244	3.4
73.02830	1.0
75.00751	0.4
75.29427	0.2
83.01254	0.3
85.02832	1.0
87.00757	0.6
89.02328	2.4
95.01302	0.4
98.20584	0.5
99.00777	0.6
101.02323	2.4
108.02079	0.5
109.02846	1.1
113.02337	1.5
119.03362	0.6
119.04892	0.4
121.02851	0.4
125.02383	0.5
134.03604	0.5
135.04448	1.3
137.02296	0.3
139.00264	0.3
151.00299	1.0
152.01060	1.0
153.01828	2.0
161.04517	0.6
163.03886	0.3
173.04500	0.5
175.03896	0.4
179.03290	0.4
191.05537	0.5
199.07632	1.2
227.16635	0.4
233.47319	0.3
267.07159	0.3
269.04489	0.3
270.05414	0.6
271.05698	1.2
272.05978	1.0
278.53391	0.3
284.03342	0.4
285.04007	1.3
285.07715	0.8
286.04208	1.8
286.07916	0.7
287.05255	1.4
287.08557	1.5
290.83701	0.3
315.07254	0.6
317.71225	0.3
329.03024	0.5
371.20761	1.7
389.21768	2.0
398.95462	0.3
406.23502	0.3
431.22394	2.0
491.11279	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55408	0.4
55.01741	0.5
59.01248	100.0
60.01585	1.2
70.25217	1.2
71.01247	5.8
72.99210	0.5
73.02818	2.9
75.00758	0.8
83.01261	1.3
85.02833	2.2
85.18629	0.3
87.00774	0.8
89.02309	3.4
91.39192	0.4
93.03343	1.3
94.99203	0.4
95.01270	1.0
97.02826	0.4
98.19811	0.4
99.00780	0.6
101.02324	5.0
108.02045	1.9
109.02857	1.1
113.02323	2.5
114.49341	0.4
119.03428	1.1
119.04899	0.8
123.04425	0.8
125.02375	1.3
131.03473	0.6
135.04420	3.1
137.02368	1.4
145.02898	0.5
149.02322	0.6
149.04483	0.6
151.00270	2.5
151.03790	0.4
152.01103	2.2
153.01877	1.6
155.03514	0.6
160.01579	0.8
161.02397	1.0
161.04526	1.5
163.03943	0.5
165.05502	0.7
167.03445	0.7
173.04564	0.9
175.03925	0.9
177.01881	0.5
179.03413	0.4
179.05597	0.5
185.11745	0.7
191.05620	1.7
193.05034	2.0
205.05124	0.8
238.06236	0.4
260.02127	0.4
284.03284	1.4
285.03918	3.2
286.04111	3.0
287.04755	3.3
299.02145	0.7
300.02872	0.4
313.03506	0.5
314.04251	0.7
329.06631	1.3
329.10587	1.7
330.10153	0.7
359.11560	0.4
371.20642	2.9
373.26089	0.7
389.21811	5.4
431.22726	3.3
491.11267	5.5
491.28088	0.6
492.11755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.6
59.01249	100.0
60.01579	0.6
68.20853	0.3
69.38383	0.9
69.38804	1.6
71.01251	3.2
73.02810	1.6
76.67688	0.3
77.94880	0.3
83.01257	0.4
85.02828	1.6
89.02323	1.8
93.03333	0.4
95.01344	0.3
101.02319	2.3
108.02081	0.6
109.02878	0.6
113.02312	1.7
117.40657	0.3
119.03414	0.9
135.04439	0.4
152.01096	1.0
153.01846	0.6
161.04483	0.8
164.04782	0.3
173.04503	0.6
175.04012	0.4
183.13911	0.5
189.43126	0.3
191.05528	0.4
227.16481	0.3
269.17468	0.4
284.03357	0.4
285.03955	0.8
286.04193	0.8
287.04724	0.6
287.09308	0.6
297.31168	0.3
355.25143	0.6
371.20642	1.7
373.25888	4.4
374.26389	0.4
389.21848	3.4
409.62482	0.3
431.22510	1.6
444.04526	0.3
465.73090	0.3
491.11230	2.5
491.28723	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
57.27985	0.5
59.01248	100.0
60.01579	1.3
64.88171	0.4
69.03302	1.2
69.44991	3.5
69.45412	0.7
71.01249	12.4
72.99183	1.0
73.02815	12.8
74.64494	0.4
75.00743	0.8
79.90677	0.4
83.01249	4.2
83.04937	0.5
83.11037	0.5
85.02819	3.7
87.00758	1.3
89.02312	5.8
93.03337	0.5
95.01276	1.6
99.00737	0.5
101.02316	15.8
108.02045	4.1
109.02845	1.9
113.02319	7.1
119.03393	2.6
119.04935	0.8
123.04419	0.5
125.02377	1.3
131.03444	1.3
133.02846	0.8
134.03622	1.1
135.04424	1.7
137.02348	0.8
143.03421	1.9
149.04459	2.3
151.00305	0.9
152.01064	5.8
153.01855	2.9
153.09117	3.1
155.03432	0.7
160.01627	0.7
161.02364	0.8
161.04474	4.6
164.04597	0.5
165.05618	0.6
173.04535	0.7
173.86208	0.5
175.03934	1.4
179.05591	1.1
185.52040	0.5
190.02649	1.2
193.05005	1.3
199.07632	0.9
203.05630	0.7
205.05077	0.9
209.15405	3.9
221.06592	1.2
236.12592	0.5
255.03065	0.8
271.02463	2.9
272.03259	1.5
284.03418	0.9
285.03796	2.9
286.04196	2.5
287.05206	2.9
299.01917	4.0
314.04294	7.6
315.04709	0.7
329.06631	11.6
329.10245	0.9
330.07022	1.2
371.20660	5.0
373.26038	0.8
389.22034	1.9
410.69815	0.5
431.22824	7.9
432.23352	0.5
447.13062	0.6
449.23938	0.7
491.11383	8.5
491.28806	0.6
492.12271	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.9
58.00448	0.9
59.01249	100.0
60.01603	0.8
69.03311	1.3
69.34592	1.4
69.34926	7.2
71.01249	15.3
72.99163	1.1
73.02821	13.1
75.00739	1.1
83.01270	3.8
85.02817	4.7
87.00750	2.1
87.04401	2.5
89.02306	5.8
93.03343	1.7
95.01259	1.4
97.02869	0.9
99.00774	1.0
101.02315	16.0
108.02083	1.9
109.02852	1.7
113.02338	8.0
119.03420	2.2
121.02838	0.9
123.04434	1.0
125.02348	1.6
131.03369	1.4
134.03600	0.8
135.04434	1.0
137.02423	1.9
143.03438	2.7
149.04485	2.3
151.00394	0.9
152.01080	2.7
153.01825	2.2
153.09152	5.0
161.04434	5.9
165.12729	1.0
183.13852	1.7
191.05479	0.9
193.05099	0.8
209.15372	3.8
221.06676	1.1
227.12903	5.4
256.61511	0.9
263.07697	1.0
269.17682	4.4
285.03943	1.7
286.03787	1.1
287.04706	1.4
371.20685	8.6
371.24283	0.9
373.25925	7.7
389.21796	3.5
431.22614	8.7
491.11411	3.6
491.21680	3.0
491.28961	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	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52338	0.4
55.01740	0.8
57.03322	3.5
58.00460	0.5
59.01251	7.4
67.01755	1.4
68.99677	1.5
69.03314	2.3
71.01251	10.4
72.99178	1.0
75.00749	0.5
80.82834	0.4
81.03317	0.5
82.20144	0.4
83.01266	1.9
83.04879	0.8
85.02820	15.2
85.99998	0.5
87.00735	6.1
87.93939	0.5
89.02299	1.9
91.03875	1.2
93.03280	0.6
95.01270	3.5
97.02802	0.7
98.20562	0.8
99.00772	1.0
101.02347	1.0
103.00262	0.7
108.02053	0.5
111.00751	2.3
111.08027	3.0
112.01492	0.6
113.02328	17.3
114.02685	0.7
115.00259	0.7
117.02985	0.4
127.03858	0.4
129.01781	2.2
139.00241	1.3
143.03395	0.6
157.01317	1.9
157.29228	0.4
165.12753	33.4
166.13055	1.3
171.10149	0.9
176.84390	0.4
181.12286	1.0
183.13818	100.0
184.14148	5.0
185.00949	0.5
185.11676	0.6
189.03917	1.2
191.10661	0.8
197.06068	0.5
205.07108	2.0
209.11755	3.7
223.05936	0.4
227.12801	10.4
228.13284	0.5
231.04958	0.8
249.06038	3.2
263.07684	7.4
272.05783	0.6
281.08755	17.6
282.09229	0.8
285.03934	0.7
286.04010	0.7
287.05154	0.5
287.09113	0.9
301.16544	6.0
329.11334	0.6
373.25900	7.6
415.19629	4.0
447.22449	1.0
459.18701	7.4
460.18909	0.9
473.20392	3.3
491.21356	75.3
492.21634	9.4
492.28714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.5
57.03320	6.5
58.00500	0.8
59.01248	24.7
67.01731	1.0
68.99669	2.2
69.03323	2.1
70.92999	0.6
71.01251	29.9
71.38871	0.6
71.39204	1.3
72.99171	6.9
73.02817	2.6
75.00745	25.2
81.03324	1.8
83.01249	1.7
83.04890	3.0
84.02036	1.0
85.02818	34.1
87.00742	11.0
89.02311	7.0
91.03854	0.9
93.03316	1.3
95.01244	8.4
97.06466	4.9
99.00761	13.8
101.02341	1.6
102.07817	0.6
103.00222	3.6
110.19612	0.8
111.00780	1.2
111.08015	6.6
112.01533	1.2
113.02325	43.2
114.02625	0.9
115.00245	2.1
117.01813	3.0
129.01834	3.1
131.03378	0.8
139.12468	0.6
147.11737	0.9
157.01329	1.1
163.11188	1.8
165.12761	52.7
166.13049	2.3
175.02368	4.5
191.10596	0.8
197.15428	8.4
205.07144	3.0
207.05074	1.1
209.11772	2.2
212.31206	0.7
223.08217	0.8
223.13388	0.9
227.12813	1.9
231.05093	2.2
241.14423	12.4
242.14658	1.0
249.06117	39.0
250.06537	1.5
267.07184	100.0
268.07486	4.5
339.16763	0.7
404.56586	0.9
473.20242	1.9
491.21307	66.5
492.21579	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	491.1765
Annotation	Rhyncoside D
Peak:m/z	Relative Intensity
57.03308	3.8
58.00443	0.6
58.94505	0.6
59.01248	44.7
67.01740	1.1
68.99686	1.5
69.03312	1.6
71.01250	15.8
71.04836	0.7
71.38696	1.0
71.99853	0.6
72.99184	4.1
73.02813	3.0
74.45676	0.6
75.00735	11.8
78.00021	0.6
81.03326	1.0
81.27611	0.6
83.04906	0.8
85.02820	14.8
87.00739	6.2
89.02312	4.3
93.03384	1.2
95.01254	4.5
96.25256	0.6
97.06466	0.8
99.00758	7.0
99.04399	2.5
101.02307	1.7
103.00254	1.7
108.02038	2.5
109.02824	1.9
111.00754	1.2
111.04428	0.8
113.02324	17.6
115.00243	1.9
117.01814	1.9
118.82275	0.6
119.08558	0.9
121.02837	1.5
125.02340	1.4
129.01822	1.3
133.02846	1.7
135.04376	1.3
137.09613	6.3
149.02281	1.1
152.01035	2.2
153.01826	1.6
153.09129	0.8
157.01306	0.8
161.02370	5.2
163.07547	1.6
167.03398	2.3
173.04518	0.6
175.02377	1.5
175.03748	0.6
179.10698	4.5
181.08585	3.4
197.11769	3.0
223.09738	0.7
231.05009	0.7
241.10712	0.8
246.97711	0.6
249.06137	15.8
259.75439	0.7
267.07196	10.4
299.04980	0.7
315.07108	1.8
315.14474	3.4
316.14911	0.7
323.07581	1.4
329.06015	1.2
429.17630	2.8
431.15533	3.4
431.22418	1.1
473.10059	1.2
473.16544	3.1
491.17670	100.0
492.17996	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	491.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.3
71.01242	8.5
71.56835	1.5
72.99175	1.2
73.02137	1.2
73.02809	5.8
75.00716	2.1
78.95758	2.3
85.02850	1.3
87.00747	3.0
89.02304	23.6
89.58474	1.3
96.96793	1.4
103.03880	2.9
109.18549	1.4
131.03336	3.7
139.46983	1.4
149.04448	100.0
150.04776	2.8
185.24490	1.5
224.28815	1.5
370.29086	1.3
506.61584	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	491.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79267	0.2
57.03321	0.4
59.00984	0.3
59.01254	4.8
60.01578	0.2
65.03843	0.9
67.01743	0.3
69.28946	1.8
69.29371	0.7
71.01254	1.4
73.02818	0.5
75.00719	0.2
83.01289	0.3
85.02826	1.0
86.20656	0.2
87.00773	0.3
89.02319	0.4
91.05407	4.5
91.69223	0.2
93.03365	1.2
95.01260	0.3
97.02827	0.5
98.20574	0.5
99.00708	0.2
101.02335	0.8
107.04925	0.4
108.02056	1.1
109.02840	16.4
110.03214	0.6
113.02313	0.7
119.04931	0.3
121.02847	13.1
122.03195	0.7
123.00754	1.4
124.01569	1.9
125.02334	0.6
133.02812	0.6
134.03645	0.3
135.04417	53.5
136.01575	1.2
136.04779	1.5
137.02338	0.9
138.03130	1.0
139.03909	1.9
147.04434	2.1
149.02353	2.4
149.05949	0.5
150.03134	23.3
151.00224	0.5
151.03635	0.5
152.01027	0.7
153.01852	1.7
161.02324	0.3
162.03175	1.3
163.03922	3.9
165.05492	15.5
166.05795	0.8
173.04485	0.3
175.03967	0.6
177.05487	1.5
183.13805	0.8
186.06775	0.2
188.04660	0.3
191.05594	0.3
199.07587	2.5
202.06277	0.6
217.08591	0.3
227.07013	0.4
228.07840	0.7
235.08052	0.2
253.04907	0.3
254.05739	1.1
255.02829	0.2
255.06693	1.5
257.04532	3.0
269.08249	0.9
270.05347	0.5
271.06131	1.7
272.06894	14.3
273.07236	1.0
281.08798	0.3
285.03851	0.5
285.07620	0.3
286.04333	0.3
286.08325	0.4
287.09250	100.0
288.06372	0.4
288.09570	7.7
301.03528	1.1
328.22321	0.2
329.10309	0.3
373.25967	1.8
431.13531	2.5
432.13885	0.3
449.14572	0.6
491.15933	6.3
491.21722	0.3
491.28342	0.6
492.15918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01248	4.0
65.00184	0.3
66.93987	0.3
69.03321	2.3
70.44833	1.0
71.01263	1.3
73.02827	0.3
78.74383	0.3
81.03332	0.8
85.02835	2.0
89.02313	0.8
89.03844	0.3
93.03329	0.6
95.01263	1.0
97.02832	1.1
101.02335	1.0
107.01257	0.9
108.02049	50.4
109.02852	15.4
110.03203	0.4
113.02341	0.9
117.03339	2.0
119.04890	0.3
121.02821	0.7
123.00750	1.4
123.04388	0.7
125.02327	2.4
132.02072	3.2
133.02850	2.7
134.03629	19.4
135.04475	1.8
137.02344	0.5
149.02382	0.4
149.05980	1.7
151.00247	2.0
151.03827	0.4
152.01051	68.7
153.01840	27.6
153.02856	0.2
154.02179	1.0
160.01570	18.9
161.02347	10.6
161.04410	0.6
162.02713	0.6
163.03964	0.9
165.01834	0.3
167.03381	0.6
175.03923	18.3
176.04309	1.0
177.01833	1.1
178.02628	0.4
179.03415	2.2
190.02614	0.3
191.05450	0.5
193.04987	8.4
194.05334	0.4
205.04988	0.4
207.02957	0.3
224.90904	0.3
227.03383	0.4
228.04155	0.4
243.06476	0.6
256.03656	0.3
257.04248	0.3
258.04388	0.3
269.17599	0.3
271.02472	0.4
284.03226	1.9
285.03842	5.1
286.04099	5.6
287.04581	3.9
288.04871	0.3
297.06140	4.3
315.07257	1.6
323.07706	6.9
324.08044	0.4
329.06631	0.4
337.09323	1.1
431.09070	0.4
431.22635	0.4
447.12970	0.6
491.11850	100.0
492.12210	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	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10586	0.3
59.01244	2.4
65.00262	0.4
65.00637	0.3
69.03310	1.5
69.50780	3.0
71.01270	0.9
74.59851	0.3
81.03314	0.8
81.64825	0.4
85.02824	2.0
89.03858	0.5
93.03325	0.4
95.01274	1.1
97.02839	0.7
101.02325	0.5
107.01284	1.0
108.02047	50.7
109.02847	19.4
113.02348	0.7
117.03352	2.1
121.02901	0.7
123.00754	1.0
125.02336	2.3
132.02066	3.9
133.02879	3.2
133.84666	0.3
134.03622	21.1
135.00754	0.5
135.04460	2.4
137.02315	0.5
147.04457	0.4
149.05994	2.0
151.00310	1.8
152.01050	87.4
153.01839	33.6
154.02182	1.0
160.01564	22.2
161.02354	12.9
163.03882	1.2
167.03401	0.5
168.27666	0.4
175.03914	21.4
176.04230	1.1
177.01857	1.5
179.03398	2.1
184.08078	0.3
193.04982	11.6
194.05318	0.6
217.04997	0.5
261.77576	0.3
271.02396	0.4
285.03745	0.5
287.04553	0.5
297.06110	4.4
314.04294	0.7
315.07288	3.1
322.06766	0.7
323.07724	7.8
324.08109	0.8
329.06723	1.3
337.09360	1.5
447.12781	0.5
491.11908	100.0
492.12277	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	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01248	4.0
65.00184	0.3
66.93987	0.3
69.03321	2.3
70.44833	1.0
71.01263	1.3
73.02827	0.3
78.74383	0.3
81.03332	0.8
85.02835	2.0
89.02313	0.8
89.03844	0.3
93.03329	0.6
95.01263	1.0
97.02832	1.1
101.02335	1.0
107.01257	0.9
108.02049	50.4
109.02852	15.4
110.03203	0.4
113.02341	0.9
117.03339	2.0
119.04890	0.3
121.02821	0.7
123.00750	1.4
123.04388	0.7
125.02327	2.4
132.02072	3.2
133.02850	2.7
134.03629	19.4
135.04475	1.8
137.02344	0.5
149.02382	0.4
149.05980	1.7
151.00247	2.0
151.03827	0.4
152.01051	68.7
153.01840	27.6
153.02856	0.2
154.02179	1.0
160.01570	18.9
161.02347	10.6
161.04410	0.6
162.02713	0.6
163.03964	0.9
165.01834	0.3
167.03381	0.6
175.03923	18.3
176.04309	1.0
177.01833	1.1
178.02628	0.4
179.03415	2.2
190.02614	0.3
191.05450	0.5
193.04987	8.4
194.05334	0.4
205.04988	0.4
207.02957	0.3
224.90904	0.3
227.03383	0.4
228.04155	0.4
243.06476	0.6
256.03656	0.3
257.04248	0.3
258.04388	0.3
269.17599	0.3
271.02472	0.4
284.03226	1.9
285.03842	5.1
286.04099	5.6
287.04581	3.9
288.04871	0.3
297.06140	4.3
315.07257	1.6
323.07706	6.9
324.08044	0.4
329.06631	0.4
337.09323	1.1
431.09070	0.4
431.22635	0.4
447.12970	0.6
491.11850	100.0
492.12210	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	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.2
59.01248	4.0
65.00184	0.3
66.93987	0.3
69.03321	2.3
70.44833	1.0
71.01263	1.3
73.02827	0.3
78.74383	0.3
81.03332	0.8
85.02835	2.0
89.02313	0.8
89.03844	0.3
93.03329	0.6
95.01263	1.0
97.02832	1.1
101.02335	1.0
107.01257	0.9
108.02049	50.4
109.02852	15.4
110.03203	0.4
113.02341	0.9
117.03339	2.0
119.04890	0.3
121.02821	0.7
123.00750	1.4
123.04388	0.7
125.02327	2.4
132.02072	3.2
133.02850	2.7
134.03629	19.4
135.04475	1.8
137.02344	0.5
149.02382	0.4
149.05980	1.7
151.00247	2.0
151.03827	0.4
152.01051	68.7
153.01840	27.6
153.02856	0.2
154.02179	1.0
160.01570	18.9
161.02347	10.6
161.04410	0.6
162.02713	0.6
163.03964	0.9
165.01834	0.3
167.03381	0.6
175.03923	18.3
176.04309	1.0
177.01833	1.1
178.02628	0.4
179.03415	2.2
190.02614	0.3
191.05450	0.5
193.04987	8.4
194.05334	0.4
205.04988	0.4
207.02957	0.3
224.90904	0.3
227.03383	0.4
228.04155	0.4
243.06476	0.6
256.03656	0.3
257.04248	0.3
258.04388	0.3
269.17599	0.3
271.02472	0.4
284.03226	1.9
285.03842	5.1
286.04099	5.6
287.04581	3.9
288.04871	0.3
297.06140	4.3
315.07257	1.6
323.07706	6.9
324.08044	0.4
329.06631	0.4
337.09323	1.1
431.09070	0.4
431.22635	0.4
447.12970	0.6
491.11850	100.0
492.12210	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51509	0.5
57.03300	1.9
59.01246	27.9
65.03839	6.3
67.01743	3.1
68.15295	0.5
69.03311	0.8
69.42686	4.3
71.01244	8.8
71.33276	0.5
72.99157	1.3
73.02805	3.4
75.00729	1.9
79.95560	0.8
80.96403	0.7
83.01228	1.9
83.04895	0.6
85.02351	0.7
85.02821	10.3
87.00743	2.1
87.64729	0.5
89.02300	2.6
91.01743	1.3
93.03320	3.3
95.01223	1.4
97.02792	0.8
99.00728	0.7
101.02313	5.6
107.01236	0.6
108.02052	4.6
109.02830	70.0
110.03146	1.7
113.02326	4.4
117.03283	1.1
119.03387	0.7
119.04881	3.4
121.02835	3.9
123.00761	0.6
123.04427	1.4
124.01567	1.2
125.02302	1.0
129.01768	0.8
132.02040	3.5
133.02843	2.1
134.03632	10.3
135.00787	9.4
135.02832	0.7
135.04442	4.0
136.01573	0.9
137.02341	4.4
139.03873	1.1
141.04034	0.6
147.02881	1.9
147.04453	0.6
149.02335	0.8
149.05972	1.7
150.03125	1.7
151.00264	1.2
151.03891	0.8
152.01050	4.4
153.01830	100.0
154.02139	2.5
160.01558	24.2
161.02240	2.0
161.04449	1.6
163.03944	2.9
165.05455	1.2
167.03340	0.8
173.04436	1.0
175.03911	30.6
176.04366	1.0
178.02608	0.9
178.99808	1.0
179.03384	1.2
183.13826	1.4
191.01863	1.4
191.03587	0.6
191.05441	1.3
193.04980	7.9
198.06789	27.9
199.07524	5.2
205.05028	0.8
209.11839	1.0
227.13042	0.6
229.99249	0.7
242.05785	13.7
242.08214	0.8
243.06627	2.5
249.06351	0.6
255.03059	1.5
270.05249	0.7
271.02518	3.6
271.05472	0.9
275.62689	0.7
283.02432	1.6
284.03278	1.6
285.03958	3.8
285.07465	0.9
286.04108	2.0
286.08020	0.6
287.05087	1.3
287.09235	6.6
299.01974	0.7
301.03482	0.6
315.07129	2.9
328.02222	5.4
329.02988	5.0
337.09238	19.4
338.09656	1.2
352.73737	0.6
373.25879	2.7
405.11890	0.9
431.22833	1.6
431.27493	0.9
445.73529	0.6
447.12881	25.2
447.22797	1.6
448.13486	2.2
449.27902	1.2
491.12109	24.8
491.28534	2.1
492.12280	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60572	0.3
56.80959	0.3
57.03308	0.8
59.01248	18.6
60.01579	0.3
63.02271	1.6
65.00193	11.1
65.03843	0.4
67.01767	0.4
69.03316	0.9
69.19447	0.3
69.42385	1.0
69.42811	1.7
71.01250	4.3
72.99169	0.4
73.02820	1.5
75.00737	1.0
83.01254	6.2
85.02818	2.3
87.00755	0.6
89.02321	1.9
93.03339	1.0
95.01244	0.9
97.02837	0.6
98.19785	0.7
99.00765	1.1
101.02318	2.2
107.01264	19.3
107.04922	0.5
108.02085	3.0
108.99168	0.5
109.02831	5.0
110.04956	0.3
111.00740	0.6
113.02312	2.1
115.27053	0.4
119.03392	0.6
119.04891	1.1
121.02839	0.8
123.00794	0.4
123.04414	0.6
125.02312	4.9
133.02841	0.8
134.03641	2.6
135.04407	77.2
136.01613	0.6
136.04742	2.1
137.02327	1.2
139.00305	0.5
149.02342	0.8
149.04362	0.4
150.03101	0.7
151.00266	100.0
152.00996	4.2
153.01834	6.3
159.04414	0.4
160.01564	1.4
161.02338	1.3
161.04440	0.6
163.03889	1.0
164.01019	0.6
164.04544	0.4
165.01863	0.8
165.05345	0.4
166.99834	0.3
169.01349	3.6
173.04480	0.8
175.00259	0.5
175.03911	1.6
177.01817	1.2
179.03419	0.6
181.05017	0.4
185.11824	0.6
190.02635	1.2
191.05568	3.4
192.05930	0.5
193.04964	1.1
195.99942	0.6
199.03868	0.4
199.07567	5.1
200.15756	0.3
205.04958	1.4
223.05965	0.6
243.06656	0.8
269.04428	0.6
271.02454	0.5
284.03256	1.4
285.03915	3.1
285.07010	0.6
286.04102	2.8
286.07309	0.3
287.05603	73.5
288.05939	4.1
299.02148	0.4
314.04465	0.7
315.07184	1.4
329.06885	0.8
339.10867	1.5
367.10306	0.6
373.25815	1.0
405.12057	0.7
431.09723	0.9
431.22458	0.7
447.12881	1.5
449.10815	1.3
491.11768	28.0
491.27057	0.7
492.12070	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	489.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14662	1.0
55.24180	1.0
59.01248	100.0
83.16867	0.9
93.94798	1.0
113.47900	1.1
114.60225	1.1
260.48206	1.2
284.03214	1.6
285.03979	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38761	0.4
55.01756	2.5
57.03319	2.7
58.00460	1.2
59.01247	100.0
60.01579	0.5
69.03326	1.6
70.23249	1.7
71.01248	45.5
72.01561	0.5
72.99171	1.8
73.02815	23.5
75.00758	0.9
81.03312	0.9
83.01243	6.3
84.20480	0.4
85.02818	22.7
87.00745	2.7
89.01810	0.9
89.02315	9.9
95.01260	4.2
97.02822	2.6
99.00748	15.2
99.04410	0.5
100.01108	0.5
101.02312	25.8
102.02650	0.5
109.02820	0.8
111.00733	2.3
111.04391	0.4
112.01542	0.6
113.02325	20.1
114.02642	0.5
119.03391	1.5
119.04895	0.4
121.02817	0.5
125.02345	2.6
129.01817	1.3
131.03412	3.2
133.02803	0.9
135.04451	1.0
137.02298	0.7
141.01724	0.5
143.03426	2.4
148.26086	0.4
149.04498	0.8
151.00262	0.7
152.12277	0.4
152.23894	0.4
153.01862	0.5
153.12698	0.7
159.02881	3.6
160.01659	0.4
161.02390	0.6
161.04456	14.7
173.04384	0.5
175.03964	0.5
183.13824	0.5
191.05504	1.5
201.03958	1.2
202.09160	0.4
203.05513	0.5
205.03386	0.7
249.14923	1.0
256.03665	0.6
269.04306	0.6
284.03229	10.0
285.04019	12.3
285.07297	0.6
286.04245	1.5
297.16995	1.3
315.18076	17.1
316.18405	1.4
357.19241	2.7
379.51544	0.5
422.79840	0.5
429.21106	3.7
438.86340	0.5
447.22296	48.0
448.22556	4.2
489.11130	9.2
489.23285	52.8
490.10617	1.2
490.23575	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	489.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	30.6
63.02263	2.6
65.00185	1.9
69.41500	1.3
69.41920	0.8
77.50346	0.2
77.82747	0.2
83.01260	1.8
89.02316	0.3
93.03325	0.5
95.01275	0.3
101.02267	0.3
105.03338	0.3
107.01260	4.5
109.02842	0.9
121.02857	1.1
121.59791	0.3
123.00743	0.3
125.02317	0.4
132.02061	0.5
133.02852	7.0
134.03667	2.4
135.00761	0.4
143.04967	0.4
148.01555	0.7
149.02380	2.3
149.99487	0.8
150.99117	0.5
151.00273	7.5
151.03889	0.3
169.01396	0.7
171.04413	0.7
172.05135	0.4
174.03271	0.3
175.03952	2.3
177.01836	0.3
183.04437	1.1
184.05141	0.4
185.06024	0.7
187.03917	0.9
188.04694	0.8
191.05573	0.4
195.04491	0.6
197.06038	0.5
198.03178	0.5
199.03937	2.8
200.04753	1.2
201.01778	0.8
211.03889	2.2
212.04623	0.4
213.02094	0.3
213.05493	0.9
215.03395	0.4
216.04106	0.3
217.05049	1.0
226.02684	0.3
227.03439	4.8
228.04025	1.0
229.04803	0.5
239.03436	1.1
240.04102	0.4
241.04991	0.7
242.02107	0.4
243.02948	0.8
255.02979	4.0
256.03732	8.0
257.04300	0.9
267.02884	0.6
269.04480	0.3
283.02390	1.4
284.03265	91.4
285.04016	100.0
286.04391	6.7
297.03992	0.7
297.07715	0.4
299.05347	0.3
325.07187	0.4
327.05051	1.3
387.20209	0.5
429.08487	0.3
447.09210	0.5
489.10367	73.8
490.10751	9.9
490.17035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.8
59.01250	100.0
69.03316	1.1
69.40401	6.8
69.40706	0.6
71.01254	14.7
72.99189	0.9
73.02814	2.9
75.00736	5.6
75.49675	0.7
78.41798	0.7
83.01258	1.4
85.02819	9.7
85.50752	0.7
87.00735	2.0
87.77555	0.9
89.02313	4.2
89.33364	0.7
95.01271	2.5
99.00758	3.0
101.02321	5.4
113.02319	11.6
119.03394	0.9
121.02851	0.8
125.02284	1.4
131.03406	1.1
137.02367	1.2
149.02357	1.0
151.03888	1.2
152.00977	0.8
153.01811	1.0
161.04449	0.8
173.04480	1.1
175.02420	1.2
177.12769	3.1
179.05632	0.9
181.01337	1.4
191.05525	1.3
201.84900	0.7
207.13847	0.8
221.11798	2.8
225.14896	2.3
231.37492	0.7
245.57146	0.8
249.06116	10.9
267.07184	9.1
268.07623	0.8
284.03201	7.2
285.04022	8.6
316.68478	0.8
327.08585	0.8
369.19202	18.3
370.19699	1.5
387.20215	12.0
388.20535	1.2
429.21268	3.9
433.08887	0.8
445.20755	3.8
459.18613	9.0
471.18686	24.6
472.18970	3.2
488.31064	1.7
489.10825	5.8
489.19064	1.9
489.30322	60.4
490.10571	1.2
490.30713	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36876	3.4
53.85622	3.7
54.64284	3.3
59.01245	32.1
60.59627	3.7
71.01255	7.6
71.04850	3.2
78.95770	34.2
82.87911	3.4
84.55461	3.0
85.02858	3.4
93.03343	4.0
94.54961	3.3
96.96880	4.7
107.01216	4.1
108.02130	4.4
133.02859	8.6
151.00255	7.8
152.99455	8.1
165.12775	13.4
171.00572	4.7
183.13783	3.7
197.02145	6.5
199.03882	4.1
211.04094	3.9
247.20673	4.8
256.03757	6.4
284.03247	82.3
285.03998	90.3
286.04291	9.0
291.19653	100.0
292.19794	9.4
364.52594	3.5
439.60803	4.1
489.10422	88.8
489.21909	6.0
490.10706	12.8
490.25772	29.4
514.15704	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	489.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50070	0.8
58.00459	1.5
59.01250	100.0
62.06139	0.7
65.00201	1.3
69.03305	1.3
69.28928	6.7
69.29344	1.2
71.01252	15.1
72.99181	1.3
73.02811	9.9
75.00743	1.1
83.01247	2.4
83.45662	0.9
85.02823	7.9
87.00755	3.3
87.04388	1.3
89.02312	12.8
89.66451	0.8
93.03319	1.5
95.01289	1.6
97.02819	1.7
98.19745	1.7
99.00796	1.2
101.02316	23.3
102.89430	0.8
103.03885	7.1
109.02839	1.7
111.00780	1.1
113.02338	6.3
117.03403	1.0
119.03396	4.7
123.00746	1.8
125.02325	4.6
131.03461	3.8
131.07143	0.8
135.04446	0.9
136.91734	0.8
137.02318	1.8
143.03409	5.7
145.04958	1.9
149.02406	1.1
151.00278	3.5
151.03903	2.4
152.04436	0.9
153.01849	13.6
161.02371	0.9
161.04446	1.3
163.00269	1.2
163.06021	27.5
167.03226	0.8
174.01627	0.9
177.01817	1.4
179.03421	2.6
180.03842	1.9
181.01387	8.4
191.05530	1.8
191.61356	0.8
195.02924	0.9
205.07088	7.3
206.04474	2.2
207.04816	2.2
225.14963	1.3
249.06149	1.4
265.09390	1.7
267.07217	2.3
282.05060	1.4
283.05899	2.0
284.03140	1.8
284.06149	2.0
285.04019	2.7
298.04443	1.1
311.05508	1.7
312.05930	2.5
326.08737	2.6
327.05087	1.2
327.09006	3.2
328.05396	2.8
338.68726	1.0
368.07825	1.3
369.08154	8.4
369.19131	8.7
387.20337	8.6
395.69193	0.9
399.09262	1.9
425.78671	0.9
429.16727	1.6
429.22238	4.4
461.12708	2.9
471.10880	1.6
473.51752	0.9
489.11981	11.7
490.11575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27185	0.8
57.03329	1.6
59.01249	33.5
71.01252	18.6
71.58430	1.0
72.99172	1.9
73.02813	2.5
75.00755	1.7
81.89236	0.7
83.01253	4.9
85.02848	4.8
87.00749	31.4
89.02269	1.2
93.03303	1.4
95.01256	1.3
99.00765	1.9
101.02315	2.2
108.02102	0.9
109.02822	1.9
111.00743	7.0
112.98671	1.2
113.02328	3.8
115.00255	51.2
116.00578	1.8
117.03381	0.8
127.00224	1.5
133.02789	1.2
135.04370	1.5
137.02328	1.1
137.05956	2.6
139.00261	13.7
140.00647	1.2
146.06017	0.9
149.02310	1.4
150.03177	1.1
151.03888	1.2
157.01328	27.5
173.04509	1.9
174.05446	1.0
175.02391	100.0
176.02690	2.3
177.01880	1.1
179.03404	1.3
180.00542	1.0
181.01259	0.9
181.04996	7.8
190.02606	1.7
191.03442	0.7
191.05539	4.6
193.05051	1.3
205.05049	1.7
207.05121	1.8
223.06125	1.6
225.07602	1.9
226.12241	3.4
241.07375	1.0
249.06099	1.6
267.07294	1.4
269.12903	10.5
270.13089	1.3
281.04419	1.1
283.14743	0.8
285.03970	1.1
298.04883	2.9
299.13913	1.0
313.11929	11.9
326.04489	1.5
327.05045	1.4
327.12646	2.5
341.06500	1.3
343.13046	3.1
359.92032	1.0
369.06192	2.7
371.12500	7.9
372.12946	0.9
373.13937	1.7
385.14111	1.3
399.06918	1.7
399.15567	1.2
409.13986	10.1
427.15143	9.1
428.15500	1.0
429.13129	3.8
441.13004	1.3
453.12848	1.8
471.14630	1.1
489.09525	10.4
489.15698	6.7
490.10410	2.8
512.86475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55489	0.2
53.76179	0.2
59.01250	7.7
63.14316	0.2
64.26104	0.3
66.28286	0.2
69.89921	0.8
69.90328	0.7
71.01285	0.3
85.02882	0.3
91.08507	0.2
95.01282	0.6
95.17574	0.2
98.19786	0.3
101.74965	0.2
105.47845	0.2
108.02090	0.5
109.02864	0.9
121.02800	0.4
123.00788	1.1
124.01548	1.5
133.02837	1.2
136.01567	2.6
137.02354	2.5
145.02872	0.6
148.01599	1.3
149.02351	0.3
161.02364	1.7
172.05290	0.4
185.05949	0.4
186.06776	0.3
191.05550	0.3
197.06027	1.0
199.03877	0.6
201.05537	0.4
202.06354	0.6
209.06006	0.3
211.03940	0.8
213.01970	0.3
213.05515	1.1
214.06281	0.9
224.04799	0.9
225.05473	1.6
226.06244	2.1
227.03442	2.4
235.16670	0.3
241.05032	3.1
242.05792	1.1
250.28958	0.3
252.04305	0.6
253.05019	2.1
255.02954	6.6
255.05475	0.5
256.03339	0.4
269.04514	3.8
270.05313	100.0
271.05667	7.6
284.03281	2.1
285.07654	97.3
286.04855	0.3
286.08002	7.7
371.23880	0.3
489.09665	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.8
69.03319	0.3
69.51445	2.0
70.30496	0.3
71.01247	2.0
73.02829	0.4
73.39751	0.3
83.01240	0.4
85.02819	0.8
89.02289	0.6
95.01260	0.6
97.02833	0.3
99.00734	0.6
101.02329	0.8
107.01225	0.4
107.90484	0.4
108.02028	0.6
109.02830	2.0
113.02327	0.8
121.02850	0.6
123.00793	1.3
124.01549	2.3
133.02827	2.0
134.03651	0.3
135.04382	0.6
136.01518	1.9
137.01404	0.3
137.02335	2.2
139.03903	0.6
145.02805	0.9
146.03670	0.5
148.01555	0.9
149.02307	0.5
151.00237	0.9
152.01080	0.3
160.01520	0.7
161.02321	2.5
171.04279	0.3
172.05238	0.4
175.03900	0.4
181.06305	0.3
183.04382	0.5
185.05939	0.4
187.03880	0.3
197.06036	0.9
199.03896	1.0
201.05348	0.4
202.06317	0.5
209.05911	0.3
211.03816	1.4
213.02011	0.4
213.05446	1.2
214.06261	0.9
224.04703	1.1
225.05446	1.7
226.06281	1.8
227.03380	2.4
227.06660	0.4
228.04187	0.3
229.14371	0.5
241.05020	2.8
242.05721	1.1
252.04211	0.9
253.05003	2.1
255.02983	5.8
256.03641	1.4
267.06491	0.5
268.03806	0.7
269.04507	4.5
270.05307	95.0
271.05649	6.0
283.06009	0.4
284.03247	8.5
284.06451	0.5
285.04105	12.5
285.07617	100.0
286.04706	0.6
286.07965	8.2
291.19800	0.5
309.20547	0.5
312.02802	0.6
327.04962	0.8
327.21698	0.4
358.15778	0.3
371.24380	0.5
429.12088	1.4
447.12869	0.4
451.91953	0.3
489.09280	8.4
489.27060	4.7
490.10812	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1041
Annotation	Kaempferol 3-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
59.01249	2.9
60.07653	0.2
63.02253	1.2
65.00192	2.3
69.03322	0.4
83.01247	1.1
91.60197	0.2
93.03342	0.3
95.01263	0.6
98.19796	0.9
99.00700	0.3
107.01260	2.4
108.02078	0.3
109.02839	0.9
113.02351	0.3
117.03355	0.7
119.04868	0.6
121.02853	0.5
123.00776	0.4
123.04478	0.4
125.02308	0.5
133.02838	4.0
134.03609	0.5
134.21324	0.2
135.00807	0.3
136.01508	0.2
136.98703	2.6
137.02332	0.5
139.00252	0.5
143.04919	0.5
145.02850	0.8
148.01540	0.4
149.02350	1.0
149.99458	0.5
151.00285	5.1
155.04903	0.3
156.05743	0.2
158.03632	0.3
163.00261	0.7
164.01102	0.5
165.01906	1.2
167.04926	0.3
169.06512	0.4
170.91492	0.2
171.04451	1.3
173.04620	0.3
173.06015	0.4
174.03160	0.2
175.03920	2.1
177.01817	1.1
183.04466	0.7
183.28268	0.2
184.05212	0.4
185.06042	1.3
186.03146	0.4
187.03853	1.6
188.04784	0.3
189.05539	0.3
190.99834	0.3
192.00558	0.5
193.01332	0.3
195.04453	0.4
197.05988	0.5
198.03035	0.3
199.03949	1.7
200.04665	0.9
201.01973	0.5
211.03918	2.0
212.04712	1.0
213.05475	2.9
214.02478	0.3
215.03406	0.9
217.04961	1.2
217.90329	0.2
226.02673	0.2
227.03484	2.0
228.04153	0.8
229.05009	1.2
229.74637	0.3
239.03441	1.6
240.04201	0.8
241.05005	1.9
243.02908	0.6
255.02962	2.6
256.03683	4.2
257.04535	2.5
263.55112	0.2
267.02991	0.9
268.03650	0.5
269.04520	0.7
281.04553	0.3
283.02448	1.9
284.03262	48.6
285.04019	100.0
286.04395	7.2
327.05057	1.0
429.08057	0.4
489.10367	51.4
490.03473	0.3
490.10721	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	489.1034
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.02607	0.3
59.01242	0.4
62.25179	0.3
63.02261	1.9
65.00197	1.3
65.42390	0.3
69.28660	0.4
69.28906	0.8
69.29311	1.8
70.89309	0.3
75.84764	0.2
83.01261	1.9
107.01273	4.3
109.02816	0.7
114.53613	0.3
121.02808	0.6
123.00795	0.4
124.45035	0.3
132.02046	0.6
133.02837	5.6
134.03627	1.9
148.01572	0.6
149.02347	1.5
149.99471	0.6
151.00266	6.4
169.01320	0.8
171.04361	0.5
172.05229	0.4
175.03914	1.7
177.01820	0.4
183.04410	1.1
185.05914	0.3
187.03928	0.6
188.04756	0.4
195.04425	0.4
199.03938	2.7
200.04652	1.0
201.01822	0.7
211.03903	2.2
212.04715	1.2
213.05473	0.5
214.02692	0.3
215.03426	0.7
217.04944	1.2
223.03831	0.4
226.09637	0.3
227.03435	3.1
228.04221	0.6
239.03389	0.9
241.05019	0.7
243.02908	0.6
255.02953	2.3
256.03717	6.1
257.04404	0.4
267.02933	0.4
283.02307	1.6
284.03247	70.2
285.04004	86.7
286.04388	6.3
297.03949	0.4
327.04987	0.8
489.10361	100.0
490.10703	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	489.1036
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.33440	0.2
59.01249	9.1
63.02258	1.3
65.00178	1.1
69.25954	0.5
69.26350	2.4
73.02815	0.4
83.01251	1.2
85.02808	0.4
93.03348	0.2
93.85382	0.2
98.19707	0.5
101.02333	0.9
104.75499	0.2
105.03385	0.5
107.01272	2.9
109.02830	0.8
113.02351	0.3
121.02814	0.4
123.00740	0.2
125.02329	0.3
132.02083	0.3
132.35243	0.2
133.02849	4.6
134.03688	1.4
135.00768	0.3
148.01570	0.7
149.02356	1.4
149.99492	0.6
151.00269	5.0
151.03860	0.2
152.01151	0.2
153.01855	1.6
161.04482	0.4
163.00237	0.4
169.01376	0.6
169.06519	0.3
175.03928	1.9
177.01839	0.6
179.03502	0.2
181.01337	1.0
183.04462	0.6
187.03928	0.7
188.04668	0.3
191.05568	0.3
195.04446	0.3
198.03148	0.5
199.03925	2.0
200.04669	0.8
201.01859	0.5
211.03964	1.2
212.04692	0.4
213.05467	0.3
214.02774	0.3
215.03474	0.6
217.04999	0.9
223.04048	0.3
227.03447	2.3
228.04044	0.4
239.03461	0.5
241.04956	1.0
243.02977	0.5
255.03035	1.7
256.03732	4.8
257.04297	0.5
267.02969	0.5
268.03659	0.4
269.04462	1.3
283.02460	1.1
284.03253	86.5
285.04004	100.0
286.01172	0.4
286.04385	7.2
297.03931	1.4
299.05576	0.4
309.04022	0.3
313.03598	0.4
327.05081	3.3
399.07303	0.4
407.60339	0.2
429.08246	17.5
430.08609	1.8
447.09293	2.0
448.10168	0.2
461.12943	0.6
489.10345	96.9
490.10718	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	488.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	47.7
59.01243	23.1
68.77918	1.9
69.64758	4.0
69.65163	10.7
71.01246	11.9
72.89148	2.0
72.99178	3.4
73.02831	2.7
75.00748	24.9
85.02820	9.1
87.00751	5.5
89.02291	4.8
89.63212	2.1
93.03356	4.3
96.95874	8.7
99.00755	3.0
101.02341	10.1
102.01843	100.0
108.02045	2.4
113.02341	7.1
119.01317	1.9
121.02859	2.9
125.02330	2.8
135.04399	2.1
143.22951	2.0
149.02274	3.0
153.09105	2.4
161.04536	3.1
163.03986	2.6
164.04639	3.3
166.04985	2.6
173.04495	2.4
175.03955	3.5
179.03339	2.2
185.00957	2.2
190.02567	3.5
191.05463	10.2
193.05014	2.5
205.05006	5.5
223.05994	2.5
249.06186	2.6
267.07205	6.6
488.18832	3.5
489.16165	4.2
496.35513	2.5
496.77664	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	488.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24195	2.4
57.03326	4.8
57.76722	2.1
58.51266	2.3
59.01249	100.0
65.00194	6.2
65.99706	2.9
69.03313	3.7
69.50645	21.9
71.01255	20.3
72.99156	2.9
73.02801	10.8
73.08533	2.5
75.00725	2.6
75.79370	2.5
81.03313	5.6
83.01270	7.9
85.02818	9.5
87.00713	3.6
89.02323	6.6
93.03307	13.6
95.01257	7.5
95.04880	2.8
97.02808	6.8
99.00750	3.6
101.02326	17.1
102.00805	2.4
107.01260	8.3
109.02821	10.6
113.02324	5.9
117.03373	12.7
119.04890	6.7
121.02828	9.5
122.02361	4.6
123.00759	4.1
123.04397	11.1
125.02308	18.2
132.04428	3.1
133.02867	9.9
134.02299	6.5
135.04375	10.7
136.01506	3.5
137.02330	13.0
138.03094	3.6
145.02817	3.3
148.03894	3.1
149.02341	8.2
151.00285	17.3
151.03917	32.3
152.00784	4.4
152.04323	3.2
153.01816	19.2
159.04305	3.3
160.03952	5.4
161.02338	9.8
162.01828	6.5
163.00276	8.4
163.02615	7.0
163.03943	5.3
163.06003	13.8
164.00975	4.3
164.03282	3.7
165.01830	14.6
166.02594	5.9
167.03363	10.6
170.95691	3.1
174.05455	3.8
175.03827	3.9
176.03432	13.7
177.01790	6.1
178.04987	3.2
178.99744	4.3
179.03395	38.4
181.01282	12.8
191.03365	5.6
191.05569	3.6
193.01369	11.2
194.02003	3.3
197.04526	3.4
205.07045	5.4
206.04510	49.0
207.02858	3.5
218.00323	2.7
225.05400	3.7
235.02348	3.1
248.05612	5.7
255.06543	5.5
267.07147	5.8
269.04495	7.8
271.06125	3.5
281.04391	9.9
282.05313	12.1
283.06119	22.8
284.03183	5.8
284.06015	4.7
285.03952	9.1
295.06030	3.7
297.03989	11.6
298.04626	6.2
299.05579	11.9
310.04761	3.8
311.05560	32.2
313.07260	4.8
314.04153	6.0
315.04807	3.0
322.07135	3.4
323.05588	3.9
326.08890	46.2
327.05093	32.9
327.08725	4.6
339.04932	3.0
340.08081	10.0
341.06561	5.5
350.06525	17.3
357.06088	10.3
368.07727	88.7
369.07880	9.2
369.19321	6.5
370.09357	6.2
380.07788	5.3
387.20178	4.4
398.08762	19.4
431.09732	23.0
445.20511	3.6
447.09583	7.3
460.11639	4.9
461.12778	4.2
470.10663	9.7
488.11880	65.3
489.12228	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	487.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	2.6
59.01249	28.0
69.03309	0.9
71.01252	13.3
72.99184	1.2
73.02804	3.3
75.00761	2.8
78.95776	3.3
83.01276	1.6
83.04893	1.8
84.34648	0.9
85.02821	6.9
87.00756	2.1
89.02315	4.2
93.03352	1.5
95.01286	1.9
95.04922	0.8
96.96864	1.2
97.02809	1.0
99.00774	2.8
101.02336	5.4
101.02938	0.8
108.89398	0.8
109.02828	1.5
111.04411	1.0
111.08054	2.1
113.02333	8.0
119.03416	0.9
119.04934	2.1
124.01580	1.2
125.02346	2.7
132.02061	20.9
133.02873	6.2
134.03633	18.2
135.04247	1.4
137.02353	1.9
139.03851	0.8
145.02853	1.3
147.04395	1.4
149.02351	1.1
149.05998	3.6
149.99457	1.4
151.00377	1.0
151.03792	1.1
152.01036	1.2
160.01567	87.2
161.00696	1.0
161.01859	4.3
161.04521	2.2
163.03935	1.2
165.12759	22.4
165.14099	1.9
166.13072	1.1
168.00537	2.4
173.04424	3.3
175.03915	100.0
176.04211	4.7
177.01833	2.8
183.13824	58.1
184.14114	1.5
190.02560	1.6
193.03294	1.8
193.04985	24.4
194.05316	1.6
197.15375	2.0
205.04999	1.5
209.11882	4.7
223.13187	0.9
227.12828	14.1
229.62669	0.8
237.14928	2.1
249.06122	3.4
254.05832	1.6
255.03012	2.5
255.06670	2.5
267.07214	1.2
268.03806	1.1
269.04440	2.1
275.09210	1.5
283.02878	1.8
283.06116	15.1
303.23297	1.0
331.06659	1.7
449.14709	1.3
472.13754	1.4
487.10080	1.7
487.16010	40.4
487.25412	29.8
488.16614	7.5
488.25916	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	487.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	7.8
59.00948	4.9
59.01248	94.8
59.01699	4.2
68.99666	5.7
69.03329	6.3
71.01247	57.7
71.11798	10.5
72.99184	17.9
73.02827	7.1
75.00742	38.4
85.02821	58.0
87.00753	16.7
89.02305	20.6
93.03355	4.1
95.01306	9.1
96.95889	17.6
98.95386	3.9
99.00746	26.4
101.02313	9.0
111.00805	8.0
113.02325	68.0
117.01825	6.0
117.03427	5.4
119.04893	8.5
120.01101	7.8
124.01574	6.0
125.02341	4.8
129.01788	6.4
134.03619	22.7
135.04375	15.8
137.02385	4.2
139.00308	4.1
145.02832	19.5
149.06033	4.0
159.04428	11.7
160.01570	5.1
160.05141	6.8
162.03120	64.6
163.03925	20.6
168.00523	4.6
175.02493	6.0
175.03922	8.2
175.07550	10.2
177.05493	51.8
178.06177	7.9
185.35487	3.7
191.05531	13.3
193.04974	13.3
205.04813	4.5
219.06541	17.7
223.06090	5.5
226.89246	3.7
231.05063	4.5
235.06148	7.5
249.06152	100.0
267.07217	76.8
279.08530	4.0
307.08084	4.4
309.08289	43.7
311.09839	31.8
357.89774	4.2
415.73145	3.8
451.12381	5.0
469.13464	43.6
487.14606	91.4
488.14963	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	487.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
57.03321	0.4
58.00461	0.2
59.01250	8.8
59.46325	0.2
65.00189	0.6
69.03322	0.3
71.00873	0.1
71.01245	3.4
71.57725	0.2
72.99175	0.4
73.02820	2.4
75.00745	0.6
75.71249	0.2
81.03302	0.2
83.01235	0.9
83.91752	0.1
85.02817	1.4
87.00754	0.3
89.02303	1.2
91.01767	6.1
92.02579	0.2
93.03330	6.1
95.01266	0.6
96.95895	0.4
97.02847	0.5
98.02338	0.2
99.00752	4.5
101.02322	3.3
103.01779	0.1
107.01288	0.9
107.04918	1.4
108.02058	0.4
111.00740	0.2
113.02327	3.3
113.03059	0.3
119.01276	3.3
121.02839	8.7
122.03187	0.2
123.00746	0.2
123.04434	0.4
125.02350	0.8
129.01897	0.2
131.03401	0.8
133.02844	0.5
135.04414	0.2
136.01569	1.0
137.02345	4.9
143.03380	0.4
147.04300	0.2
149.02321	0.6
149.04497	1.1
151.00450	2.4
151.03906	100.0
152.04248	2.9
153.01883	0.3
155.03377	0.2
161.02312	0.4
161.04460	1.0
163.00275	0.2
166.02644	0.2
169.01337	0.2
173.04561	0.4
175.00302	0.7
176.03392	0.3
178.99782	0.4
179.03372	0.5
190.02603	0.4
191.05534	0.9
193.01331	0.2
203.03508	0.2
203.05489	0.4
205.05016	0.4
205.07088	0.2
205.12291	0.3
206.04512	0.6
223.13269	0.2
269.50433	0.2
275.07721	0.2
281.06680	1.0
283.06042	0.2
293.08774	0.3
295.05746	0.2
311.05783	0.2
313.09103	0.3
323.07706	0.5
326.08829	0.4
327.04846	0.3
341.06067	0.2
355.10220	0.3
357.06393	0.2
368.07553	0.4
395.09818	0.3
398.08563	0.3
413.10962	1.0
427.12436	0.3
431.09689	0.2
445.13507	6.8
445.19681	0.3
446.13602	0.4
455.11761	1.4
459.11508	0.8
461.46228	0.2
487.14569	6.9
488.14041	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.4
59.01247	10.7
62.74522	0.3
63.27481	0.2
63.98743	0.2
65.00130	0.2
69.03323	0.6
69.40820	2.2
69.52314	0.2
71.01246	1.7
73.02822	0.4
75.00739	0.4
83.01251	0.3
85.02814	1.7
86.03160	0.3
87.00749	0.6
89.02308	1.7
93.03325	1.9
94.03718	0.3
97.02823	0.3
98.20600	0.5
99.00761	0.4
101.02322	1.0
102.24252	0.2
102.66042	0.3
107.01283	0.3
107.04810	0.3
109.02839	0.5
111.04395	0.3
113.02326	0.9
117.03355	0.5
119.04908	100.0
120.05257	3.5
121.02851	0.4
123.04443	0.3
124.01571	0.4
125.02349	0.7
129.37149	0.2
132.02045	0.4
133.02837	8.2
134.03590	0.8
134.37849	0.2
135.04402	4.7
136.04811	0.3
137.02362	1.3
149.02368	0.3
149.05934	0.3
151.00252	0.9
151.03865	0.3
151.07538	0.3
153.84282	0.2
155.03400	0.6
160.01567	0.9
160.03918	0.4
161.02341	34.5
162.02672	1.4
163.03906	60.4
164.04251	2.0
168.00482	0.4
172.05188	0.3
173.04483	1.7
173.05740	0.3
174.06810	0.5
175.03937	1.4
179.03410	3.4
187.07579	1.7
187.11180	0.2
191.01845	0.4
191.05511	1.9
192.43446	0.2
193.04941	0.5
201.05522	0.5
202.06281	0.8
203.01811	0.4
203.03435	1.3
231.06573	0.3
231.10170	1.6
251.12711	0.3
255.02907	1.0
269.04529	0.3
275.09167	0.5
283.02866	0.5
285.04019	0.4
287.05591	0.5
293.06705	0.3
323.07672	25.1
324.08115	1.7
449.14673	0.3
487.12427	14.9
488.13007	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2027
Annotation	4-[6-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-3-methyl-2-oxohexyl]dihydro-3-methylene-5-(2-oxopropyl)-2(3H)-furanone
Peak:m/z	Relative Intensity
55.01759	2.2
57.03322	3.6
58.00473	1.4
58.39516	0.5
59.01250	85.5
60.01591	0.8
66.91967	0.6
69.03340	1.5
69.29519	4.1
69.29931	1.9
71.01254	31.0
72.99198	2.3
73.02818	8.6
75.00752	0.8
81.03336	0.6
83.01264	4.8
83.04903	1.4
85.02822	24.3
87.00739	3.1
89.02316	17.2
93.03351	1.6
95.01279	2.4
96.95892	4.1
97.02852	0.6
99.00758	3.2
101.02316	21.0
111.00777	1.6
111.04416	1.6
113.02332	10.6
119.03385	6.6
121.02796	0.6
123.08103	0.8
125.02338	0.6
129.01848	2.4
131.03401	1.2
134.03702	0.7
135.04373	0.7
139.07532	0.8
141.04143	0.9
143.03392	1.2
147.02934	1.8
149.02414	0.8
149.04503	0.7
153.01880	0.7
155.03467	0.8
161.02374	0.6
161.04459	3.5
168.55420	0.6
171.11702	1.0
173.04492	3.6
175.03928	0.7
176.04723	1.5
177.09109	3.3
179.05566	2.2
187.07655	1.2
189.12773	1.4
190.02689	0.8
191.01884	5.6
191.05551	6.4
197.30658	0.6
205.05066	1.4
205.08652	4.2
209.03044	2.0
231.10164	0.8
237.14903	1.5
242.03281	0.6
249.11270	5.3
263.88443	0.6
267.12476	1.9
293.10321	0.7
346.55026	0.6
399.20261	1.5
425.18085	1.2
443.19147	4.2
467.15546	1.1
485.20361	100.0
486.20712	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	485.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.1
59.01257	4.8
69.03310	1.3
70.93908	0.6
71.01243	2.2
71.35983	1.0
75.00739	0.9
78.95756	3.3
79.95599	2.3
85.02821	15.8
87.00773	0.9
89.02285	1.4
90.01801	0.6
93.03318	1.8
93.74796	0.6
96.95885	100.0
96.96785	7.6
98.02348	5.9
99.04452	0.7
101.02312	1.1
108.02121	0.7
121.12131	0.7
124.01555	0.9
129.01819	1.7
134.03589	2.0
135.04350	1.0
136.01585	2.2
147.02840	1.7
151.92340	0.8
160.01538	1.5
161.02257	0.8
168.00537	1.2
173.04422	3.1
175.03894	1.7
177.09143	0.7
189.45865	0.6
190.02655	1.5
191.01910	4.4
191.05475	1.9
193.04971	0.7
205.04984	1.3
221.12895	0.6
223.06102	0.8
309.11951	1.0
311.11191	1.4
384.19037	0.7
411.43826	0.6
485.16684	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.1
57.03315	5.2
59.01246	40.6
67.01754	1.1
68.99718	1.3
69.03329	1.9
71.01248	25.7
71.58672	1.4
71.59125	2.4
72.99171	5.0
73.02824	2.6
74.02352	2.0
75.00748	2.6
78.95787	3.4
79.95585	1.7
80.96391	1.3
83.01257	4.1
84.02041	2.8
84.15355	1.3
85.02821	49.1
86.03119	1.2
87.00753	3.1
89.02307	17.3
89.03163	1.4
93.03333	10.2
95.01257	2.2
95.64480	1.3
96.95882	47.2
96.96813	6.7
98.02359	7.2
98.95477	1.8
99.00794	1.5
99.01911	1.6
99.05499	1.6
101.02316	15.1
108.02051	2.0
109.02843	3.9
111.00742	3.0
111.04375	3.8
113.02327	11.1
116.04955	1.5
117.03272	1.9
119.03386	8.0
119.04912	1.3
121.02830	2.0
125.02332	2.7
128.03416	3.4
129.01842	4.6
129.05475	10.4
132.02075	3.7
133.02835	4.9
134.03627	31.4
135.04448	6.3
136.01549	3.9
137.02304	6.1
143.04514	6.3
147.02892	4.9
147.04356	1.3
147.06560	2.5
149.02361	4.1
149.05949	3.4
152.83887	1.4
160.01625	17.2
160.03935	43.7
161.02373	12.1
163.03859	3.0
164.04721	2.5
165.01852	1.9
173.04491	13.6
175.00258	3.7
175.03908	17.7
176.04665	4.0
178.02629	1.8
179.03242	1.7
179.04568	1.8
190.02635	9.8
191.01888	15.4
191.03456	1.9
191.05536	9.6
191.07025	2.3
193.04997	13.5
204.02847	1.7
205.04970	11.1
206.05534	1.4
207.06534	1.6
209.02960	2.1
210.08720	2.2
223.06093	4.9
231.10292	1.9
235.06062	5.9
254.07768	3.9
272.08838	4.5
291.10754	6.0
293.10193	2.9
309.11884	100.0
310.12186	4.8
311.11340	3.4
327.05106	1.6
366.08463	2.9
370.27823	1.5
391.13080	1.7
447.09183	2.0
467.15417	3.7
485.10263	2.7
485.16690	48.3
486.10455	5.8
486.17227	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	484.212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02846	11.6
59.01255	4.5
61.98678	0.6
66.03368	0.9
68.04959	0.7
69.03308	0.7
70.02848	1.5
71.01251	2.2
71.58515	1.0
72.00769	2.3
73.02816	0.9
74.01918	1.2
74.02339	24.1
81.04437	0.9
82.02860	2.8
84.04414	1.1
85.02818	2.1
85.03942	0.7
86.02333	8.6
86.05978	1.2
86.98971	2.2
87.00729	0.7
87.05514	5.3
88.03889	0.6
90.00065	1.7
93.03320	1.1
96.04412	0.7
97.03951	2.3
98.05963	0.6
99.00780	0.8
99.05511	20.3
100.03933	0.8
101.02317	0.7
101.07092	4.0
102.05502	3.2
106.06553	0.6
107.06053	1.5
108.02023	2.2
109.02834	1.1
109.03963	3.2
109.07590	1.3
111.05525	2.2
112.03925	2.6
113.02354	1.0
113.03452	0.7
113.07103	0.7
116.01637	2.0
119.04813	0.7
119.45653	0.5
120.01098	0.9
123.05521	2.2
123.08042	2.6
124.03938	1.7
125.02584	0.6
125.03410	3.1
126.01814	0.9
127.05031	3.9
128.03424	58.7
129.01837	0.6
129.03767	0.7
131.04518	1.1
135.04543	0.9
135.05515	5.3
137.07103	1.6
141.06586	5.5
143.04520	78.2
144.04855	2.1
145.06073	3.9
146.04497	7.7
149.07158	1.2
152.01056	1.9
153.01820	1.6
153.06578	5.4
155.08127	0.7
159.02881	0.6
160.00642	22.5
161.00989	0.6
161.02350	0.6
166.09769	3.4
167.04538	5.3
167.08154	3.7
170.03236	1.1
171.07684	1.1
177.03290	8.5
179.04536	18.0
181.06075	2.5
184.10788	1.3
185.05594	2.8
191.05458	0.7
192.07706	1.8
197.05595	3.5
198.08749	1.3
210.08786	16.0
213.03403	1.0
228.09795	1.1
242.07771	1.6
254.07802	29.2
255.08054	1.8
272.08859	41.8
273.09158	1.3
285.03970	2.3
288.03583	0.9
288.06616	14.1
306.07645	100.0
307.08008	4.0
342.08340	0.7
484.13763	0.9
484.21063	3.2
485.20398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99873	1.0
57.85838	1.1
58.02846	14.1
59.01245	7.2
61.98692	1.2
66.03349	1.6
69.03296	1.4
69.26407	11.2
70.02843	1.3
70.39888	1.0
71.01243	4.4
72.00768	3.0
73.02824	1.4
74.02339	29.3
81.04417	1.6
82.02856	2.5
84.04395	2.5
85.02838	2.0
86.02352	9.9
86.05975	2.4
86.98964	1.7
87.05509	8.2
89.02318	1.3
90.00048	2.9
97.03962	4.0
99.05508	24.2
101.02339	1.7
101.07073	4.0
102.05470	3.7
107.06010	1.3
108.02055	2.5
109.02834	1.5
109.03942	2.8
111.05505	2.0
112.03944	3.9
113.02322	1.8
116.01649	1.5
119.04904	1.1
123.05492	3.6
123.08024	3.8
124.03947	1.2
125.02444	1.0
125.03442	2.0
127.05021	5.0
128.03423	71.3
129.03769	1.3
134.03589	2.8
135.03960	1.0
135.05487	5.3
137.07109	1.2
141.06581	5.3
143.04515	94.6
144.04837	3.5
145.06117	2.9
145.08585	2.6
146.04466	8.7
149.07071	1.1
149.09596	2.0
152.01044	4.8
153.01419	1.2
153.06622	6.7
155.08049	1.2
160.00632	30.5
166.09773	4.4
167.04526	7.1
167.08167	2.7
170.03242	1.6
173.04440	1.9
177.03275	10.7
179.04543	17.9
181.06062	2.7
185.05547	3.1
191.61394	1.0
192.07744	1.3
193.04852	2.1
194.05295	1.5
197.05559	3.7
198.08817	1.5
205.04993	1.7
210.08772	17.2
228.09721	1.7
231.04434	1.6
242.07762	2.0
254.07780	31.1
255.08018	1.7
272.08847	46.6
273.09131	2.5
285.03967	1.9
288.06610	15.2
306.07626	100.0
307.08014	5.6
307.14072	3.4
308.14291	4.0
484.20322	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
71.06763	1.0
71.07147	0.8
71.24435	0.4
78.95772	18.4
91.39824	0.4
96.96839	1.4
106.98550	0.5
152.99484	29.4
171.00549	1.1
198.41156	0.4
227.03168	5.8
243.90854	0.5
245.04280	1.0
255.23250	100.0
256.23578	7.2
391.22321	0.6
404.67700	0.4
483.27252	56.4
484.27679	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	483.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36242	1.2
52.13239	1.3
57.03321	19.6
57.12117	1.2
58.63455	1.2
59.01251	27.4
60.55879	1.3
62.77787	1.3
69.03340	1.8
71.01247	7.0
71.58852	1.3
72.99181	1.7
73.02828	4.3
73.13636	1.2
75.00744	3.6
83.01246	1.4
85.02827	16.6
87.00761	3.8
89.02315	3.0
93.03342	3.1
96.95876	6.6
98.95490	1.8
99.04395	11.0
101.02333	9.0
109.02850	1.7
111.00741	1.8
113.02353	1.6
119.04917	2.3
121.02852	1.6
125.02322	2.8
127.03876	1.4
129.01854	1.9
133.04987	1.3
134.03642	3.2
137.02332	3.1
141.04083	1.8
149.02293	2.9
150.02991	1.6
152.01122	1.3
160.01663	2.3
161.04486	10.8
163.08740	1.6
173.04498	3.5
173.07132	1.4
175.03889	4.6
176.05849	12.4
177.06622	14.8
189.06622	1.4
190.02626	2.3
191.01921	1.9
191.05562	12.3
191.08189	34.0
192.05849	2.1
193.04947	2.8
194.02069	1.4
203.08316	7.3
205.06178	43.6
209.02979	3.0
215.08202	2.5
219.07690	62.4
220.08064	3.3
227.08189	1.5
231.07629	6.4
243.07687	4.1
245.09294	5.9
247.07335	2.2
259.07156	2.5
261.08755	3.1
284.03156	3.4
285.04114	5.5
293.11340	3.1
303.09842	2.9
307.10251	4.6
321.10880	35.8
327.08606	1.9
339.11929	100.0
340.12192	8.2
381.12979	42.4
382.13327	5.6
403.40747	1.3
421.16013	10.4
447.09320	2.6
483.15878	16.1
483.23651	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.5
57.31704	0.3
59.01250	2.6
68.01279	0.7
71.01259	2.1
71.58155	0.3
72.99169	0.5
75.00724	0.3
78.95780	10.4
79.95602	2.2
85.02824	2.0
87.00727	0.8
89.02325	1.6
93.03311	0.7
95.01270	0.4
96.95894	100.0
96.96817	21.0
97.02859	0.4
98.02356	16.0
98.58789	0.3
99.00766	0.8
101.02332	0.9
108.02089	1.6
109.02844	1.4
110.02360	0.4
113.02333	0.8
115.00246	0.3
119.03387	0.7
119.04968	0.5
122.02375	0.4
125.02317	0.7
126.56466	0.3
129.01785	0.5
137.02368	0.4
139.03885	0.3
151.07550	0.4
152.01044	1.5
153.01630	0.7
160.01614	0.4
161.02342	0.4
161.04593	0.4
166.05025	0.4
173.04465	0.7
175.00192	0.3
175.03937	0.5
179.03516	0.6
179.05554	0.4
190.02608	0.4
191.05531	2.6
193.04927	0.5
194.01860	0.3
205.05084	0.7
247.10107	0.3
291.08682	0.3
303.08734	0.3
316.07611	0.4
483.14462	3.3
483.20792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52215	1.3
55.01745	1.7
57.03313	6.4
59.01255	3.4
60.18259	1.3
66.54598	1.4
66.64191	1.3
68.92013	1.4
71.01256	6.0
71.57352	1.6
72.99159	1.5
74.99589	1.3
75.00744	1.9
79.95601	1.9
82.79969	1.4
83.01261	4.0
85.02820	42.5
87.00755	2.1
96.95886	100.0
101.02286	3.2
111.00756	22.3
125.02384	2.0
129.01825	11.6
135.04424	2.2
145.19989	1.2
147.02853	1.7
205.03488	20.3
209.02890	1.5
223.04538	95.1
224.04895	3.2
262.66956	1.5
339.43649	1.7
378.97403	1.5
385.07706	3.0
483.11584	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	483.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.7
59.01251	7.3
59.38636	0.6
67.01756	3.7
69.03322	1.3
69.40967	2.5
69.41392	3.1
71.01248	8.4
72.64447	0.6
72.99159	0.8
73.02816	2.1
75.00737	1.1
81.03324	1.5
83.01258	2.2
83.04899	3.2
85.02824	7.9
86.03146	1.0
87.00751	2.4
93.03328	22.4
95.01267	1.1
97.02785	0.8
99.00746	1.1
99.04399	0.8
101.02291	3.8
107.01306	0.7
108.02065	4.7
109.02831	2.5
111.00749	2.6
111.04398	13.2
112.04664	0.9
113.02334	1.6
117.03330	10.2
119.04909	52.1
120.05265	1.6
121.02824	0.8
127.03903	1.7
129.01846	2.1
133.02837	0.7
135.04419	2.2
137.02327	15.1
145.02846	56.5
146.03220	1.4
147.04384	0.8
149.02405	0.7
151.00262	1.8
151.03903	0.9
151.07492	1.6
152.01057	6.0
153.01619	2.2
154.01570	0.6
155.03394	26.4
155.04677	1.3
156.03725	1.2
161.02327	1.2
161.04449	0.9
163.03911	52.0
164.04323	1.9
165.05650	0.6
173.04462	100.0
174.04843	2.7
175.03841	0.8
190.02626	2.9
191.05554	3.2
195.08083	2.6
205.03323	1.1
205.05061	3.2
211.07501	0.9
213.09126	0.7
239.07077	1.9
249.06226	0.8
259.94461	0.6
269.04358	1.2
270.05377	0.8
275.09302	1.4
276.87332	0.7
277.16608	2.8
284.03381	0.8
285.04059	3.2
286.04355	0.9
286.07571	0.6
287.05731	1.2
288.05954	1.0
319.08203	55.4
320.08472	3.3
331.07123	0.6
337.09235	24.3
338.09735	1.8
359.09680	0.6
379.12796	0.8
423.22168	3.8
483.12933	10.9
483.18396	6.9
484.13354	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	483.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52215	1.3
55.01745	1.7
57.03313	6.4
59.01255	3.4
60.18259	1.3
66.54598	1.4
66.64191	1.3
68.92013	1.4
71.01256	6.0
71.57352	1.6
72.99159	1.5
74.99589	1.3
75.00744	1.9
79.95601	1.9
82.79969	1.4
83.01261	4.0
85.02820	42.5
87.00755	2.1
96.95886	100.0
101.02286	3.2
111.00756	22.3
125.02384	2.0
129.01825	11.6
135.04424	2.2
145.19989	1.2
147.02853	1.7
205.03488	20.3
209.02890	1.5
223.04538	95.1
224.04895	3.2
262.66956	1.5
339.43649	1.7
378.97403	1.5
385.07706	3.0
483.11584	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94656	0.8
61.03887	0.8
69.53351	7.2
75.90330	0.7
78.95771	45.9
96.96853	4.3
98.20612	1.5
106.41666	0.8
108.98540	0.8
146.63733	0.8
152.99490	63.9
170.99196	1.6
171.00554	19.0
227.03198	4.2
245.04277	100.0
246.04578	2.9
253.21695	58.5
254.21944	3.3
433.31076	0.9
470.85471	1.0
481.25665	38.7
482.26117	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	482.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.9
60.05525	0.5
71.01260	2.3
71.15211	0.8
87.00741	1.3
89.02325	1.5
96.95909	0.8
101.02354	0.6
115.19931	0.5
116.04962	4.4
133.04976	5.0
133.90657	0.6
159.03189	1.1
160.03947	100.0
161.04286	4.8
163.06023	0.6
172.40701	0.5
202.05051	0.8
204.02942	6.3
205.03304	0.6
304.08200	0.9
322.09464	0.6
348.07190	1.9
366.08249	1.7
423.07523	0.6
438.10297	1.1
482.12997	17.2
483.13367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01980	1.0
57.75903	1.0
64.10754	0.9
78.95770	58.7
96.96846	3.7
100.84826	1.0
105.05878	1.0
152.37241	0.9
152.99484	100.0
171.00543	17.7
183.18439	1.0
227.03175	10.4
245.04277	73.3
253.21690	51.3
254.22038	2.7
268.82153	1.0
342.16101	1.0
481.25702	94.8
482.26019	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.1
57.03324	20.0
59.01252	42.6
60.99191	5.0
61.98693	1.0
65.03845	1.1
67.01764	14.6
68.99687	1.7
69.03347	5.8
69.03680	1.1
69.38303	8.9
71.01255	53.5
72.99176	3.0
73.02823	13.5
75.00775	1.6
78.95768	1.6
81.03333	4.3
83.01257	12.4
83.04891	2.2
84.02020	2.1
85.02823	100.0
86.03149	1.4
87.00751	19.9
89.02325	21.8
93.03337	93.2
94.03660	2.0
95.01257	2.7
97.02833	3.1
97.06499	1.9
99.00762	7.1
99.04389	2.6
101.02324	31.0
108.02027	2.4
109.02843	3.7
111.00767	22.0
111.04406	16.2
113.02316	16.2
115.03886	1.5
119.03365	1.3
119.04871	1.7
121.02869	1.3
125.02330	6.7
129.01834	45.7
131.03392	11.5
133.02849	6.8
134.03638	36.1
135.04434	4.9
137.02354	7.0
139.03952	2.3
143.03384	3.3
149.02382	1.1
149.04469	8.9
152.01070	4.0
152.99562	1.2
153.01842	1.4
155.03404	5.4
159.02832	1.7
161.02396	1.6
161.04468	12.4
162.03171	1.6
163.03883	1.5
173.04472	73.1
174.04742	2.1
177.01871	8.9
177.03912	1.2
178.02644	28.6
179.03177	2.5
187.02460	1.8
191.05563	5.2
205.03476	25.2
208.42854	1.0
223.04578	1.1
231.10213	4.6
233.06635	3.0
275.09216	14.1
276.09546	1.5
285.03995	1.3
289.16559	20.3
290.16827	1.5
293.08917	2.6
307.11884	16.6
397.17941	1.0
421.20786	85.9
422.21191	10.0
449.14554	8.2
481.17191	38.2
482.17322	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.1
57.03324	20.0
59.01252	42.6
60.99191	5.0
61.98693	1.0
65.03845	1.1
67.01764	14.6
68.99687	1.7
69.03347	5.8
69.03680	1.1
69.38303	8.9
71.01255	53.5
72.99176	3.0
73.02823	13.5
75.00775	1.6
78.95768	1.6
81.03333	4.3
83.01257	12.4
83.04891	2.2
84.02020	2.1
85.02823	100.0
86.03149	1.4
87.00751	19.9
89.02325	21.8
93.03337	93.2
94.03660	2.0
95.01257	2.7
97.02833	3.1
97.06499	1.9
99.00762	7.1
99.04389	2.6
101.02324	31.0
108.02027	2.4
109.02843	3.7
111.00767	22.0
111.04406	16.2
113.02316	16.2
115.03886	1.5
119.03365	1.3
119.04871	1.7
121.02869	1.3
125.02330	6.7
129.01834	45.7
131.03392	11.5
133.02849	6.8
134.03638	36.1
135.04434	4.9
137.02354	7.0
139.03952	2.3
143.03384	3.3
149.02382	1.1
149.04469	8.9
152.01070	4.0
152.99562	1.2
153.01842	1.4
155.03404	5.4
159.02832	1.7
161.02396	1.6
161.04468	12.4
162.03171	1.6
163.03883	1.5
173.04472	73.1
174.04742	2.1
177.01871	8.9
177.03912	1.2
178.02644	28.6
179.03177	2.5
187.02460	1.8
191.05563	5.2
205.03476	25.2
208.42854	1.0
223.04578	1.1
231.10213	4.6
233.06635	3.0
275.09216	14.1
276.09546	1.5
285.03995	1.3
289.16559	20.3
290.16827	1.5
293.08917	2.6
307.11884	16.6
397.17941	1.0
421.20786	85.9
422.21191	10.0
449.14554	8.2
481.17191	38.2
482.17322	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	3.5
57.03315	16.8
58.00471	1.1
59.01250	21.6
59.19379	0.9
60.01583	0.8
60.99175	5.0
63.83626	0.8
65.03814	1.0
67.01755	13.4
68.99672	1.3
69.03331	4.7
69.17313	0.7
69.33476	7.8
71.01247	30.2
72.99159	1.3
73.02795	7.1
75.00739	1.8
78.95783	1.2
81.03319	3.1
83.01251	9.4
83.04883	3.0
84.02031	1.9
85.02818	100.0
86.03130	1.7
87.00749	19.8
89.02309	10.6
93.03332	96.5
94.03664	1.4
95.01286	1.2
97.02817	1.7
97.06464	2.4
97.98255	0.7
98.19797	1.2
99.00735	5.3
99.04365	1.9
101.02316	15.4
105.03349	1.9
109.02810	2.1
111.00757	22.2
111.04398	14.9
113.02314	8.1
115.03906	0.9
119.04889	1.4
121.02843	1.7
125.02352	2.1
129.01826	43.4
131.03360	4.6
133.02852	13.2
134.03627	51.1
135.04477	7.3
137.02335	10.2
139.03899	2.9
143.03383	2.1
149.04459	3.3
152.99496	1.2
153.01854	0.9
155.03400	7.1
159.02850	0.9
160.01553	1.3
161.02328	1.0
161.04454	7.0
162.03084	2.2
173.04463	79.6
174.04836	2.3
177.01840	18.8
178.02617	54.9
179.03348	6.4
181.92207	1.0
187.02388	1.3
191.05504	2.6
203.01878	1.0
205.03452	26.5
223.04428	0.9
231.10251	6.3
275.09238	24.4
276.09491	1.5
289.16574	7.3
307.11850	24.0
308.12097	1.6
382.36148	0.9
421.20782	33.4
422.21133	2.4
449.14517	9.8
450.14807	1.1
481.17108	44.1
482.17453	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	481.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67763	0.5
54.34968	0.5
55.01747	1.6
57.03325	5.2
59.01243	3.1
67.01740	0.8
68.31474	0.5
69.03331	0.6
71.01265	3.7
73.02825	0.8
73.68559	0.5
75.00754	1.1
77.76138	0.6
81.03325	0.8
83.01263	3.6
83.04900	1.0
84.02016	0.8
85.02822	29.7
87.00755	1.2
89.02329	0.7
93.03326	4.4
97.06466	6.7
99.00807	0.7
101.02328	2.4
105.03330	0.9
106.04112	0.7
108.02060	7.8
109.02876	2.8
111.00761	8.0
111.04389	4.1
113.02312	0.7
113.05976	0.6
114.16882	0.5
121.02834	0.8
123.00785	0.5
125.02318	1.6
129.01834	15.0
133.02846	6.5
134.03627	100.0
135.04472	9.7
137.02327	2.9
139.03859	1.0
149.02345	1.0
151.00296	0.8
152.01057	8.1
153.01831	1.7
155.03387	3.7
160.01659	0.7
161.04454	0.8
165.01830	0.6
173.04483	8.0
173.17326	0.7
175.03954	0.8
176.81412	0.5
177.01833	6.2
178.02629	18.7
179.03387	2.5
183.10197	0.6
187.03958	0.8
191.05539	7.8
193.04974	0.6
199.31055	0.5
202.06216	0.6
203.10753	0.8
205.03477	8.6
205.05301	0.4
223.04535	2.9
223.82130	0.6
231.10234	4.8
275.09250	5.9
284.03250	4.8
285.04037	16.4
286.04413	2.1
297.06119	0.9
307.11853	98.9
308.12164	6.1
447.09290	7.8
448.09705	1.5
481.17047	14.5
482.17609	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	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01507	0.5
55.01751	2.7
57.03323	12.8
59.01235	2.7
61.02170	0.5
69.03331	4.5
71.01250	6.6
72.99187	1.2
73.02808	2.3
75.00737	1.5
76.89691	0.5
81.03339	0.9
83.01265	5.6
84.02042	2.0
85.02821	66.7
86.03171	1.1
87.00735	1.1
93.03345	1.2
95.01252	1.5
97.02805	1.0
99.00742	1.3
101.02335	4.0
104.19879	0.5
107.01289	0.6
108.02051	58.6
109.02843	12.1
111.00757	15.2
111.04414	0.6
113.02367	1.1
113.05947	0.6
119.10828	0.5
121.02849	1.5
123.00768	1.3
123.04395	0.8
125.02361	2.7
129.01834	29.2
130.02101	0.7
133.02867	6.6
134.03650	7.3
134.05965	0.5
135.04420	2.0
137.02328	2.5
139.03874	0.8
139.11166	2.7
151.00281	1.4
151.03882	0.7
152.01053	100.0
153.01823	6.6
161.02295	1.1
161.04492	2.8
161.05783	0.6
163.03903	1.4
165.01868	0.6
173.04448	2.2
177.01839	7.2
177.03383	0.6
177.03938	0.5
178.02666	4.7
178.04991	0.5
179.03372	1.0
183.10178	2.1
187.02422	1.2
191.05502	1.7
205.03458	19.7
205.05367	0.9
223.04526	11.6
224.04674	0.6
231.10146	2.9
238.86488	0.5
275.09244	8.2
275.16281	0.7
276.09613	1.0
297.06107	5.6
307.11868	1.3
315.07123	2.8
336.62506	0.6
449.14703	1.4
481.17130	99.8
482.17459	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	481.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.4
57.03334	4.1
59.01247	3.6
67.01737	1.0
69.03320	1.4
71.01254	4.6
72.99178	1.8
73.02815	1.3
75.00735	0.9
81.03329	1.5
83.01250	3.1
83.04888	1.0
85.02824	23.0
86.03146	0.9
87.00735	3.4
93.03334	9.0
97.02814	1.8
99.00729	1.3
99.04385	1.0
100.34720	0.8
101.02313	2.0
104.09615	0.6
109.02830	7.7
111.00772	4.9
111.04393	2.3
113.02345	1.7
121.02836	1.1
122.03648	1.1
123.00749	2.0
123.04379	1.6
124.01563	5.1
125.02341	11.4
127.03872	2.2
129.01831	8.4
135.04419	2.1
137.02342	2.2
146.03677	1.1
148.05260	2.0
149.02367	1.4
149.99480	9.2
151.00186	1.4
151.03902	1.1
152.01166	0.8
155.03444	1.7
158.03661	1.0
159.04446	2.4
165.01767	1.2
167.03426	3.7
168.00549	13.7
169.01193	0.7
172.05183	2.8
173.04472	11.4
173.05988	4.7
174.06734	1.8
175.07478	1.2
177.01999	0.9
184.05104	1.1
187.02443	0.9
187.03934	3.2
187.07568	26.4
188.08018	1.1
191.05528	100.0
192.05833	2.6
193.01340	1.4
195.02834	1.0
197.06036	0.9
201.05518	4.8
201.09230	1.5
202.06271	25.6
203.06743	2.9
203.10707	2.4
205.03384	6.0
213.09190	6.6
215.07076	2.8
221.00795	1.4
223.04529	16.6
231.10210	44.6
232.10577	3.3
244.29082	0.8
245.08134	1.3
245.11777	1.0
257.08029	1.8
263.09161	1.3
263.12805	1.8
271.05606	0.8
275.09265	14.6
289.10776	2.6
305.40741	0.8
307.08664	1.1
307.11768	5.8
317.06268	0.8
430.37424	0.9
447.09488	0.9
449.14630	7.1
481.09799	26.9
481.17010	6.1
482.10291	3.7
482.16544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
60.48397	0.2
61.98703	100.0
66.48799	0.2
68.53770	0.2
71.45883	0.2
81.66721	0.2
101.02364	0.2
135.04402	0.4
142.87108	0.2
150.03116	0.2
151.03928	0.6
165.12776	0.4
184.14255	0.2
209.11755	0.2
218.75320	0.2
271.06094	0.6
287.09235	0.2
311.22430	0.2
312.22754	0.6
434.15793	0.2
480.23776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.7
62.27725	0.6
71.57811	0.7
82.20065	0.6
92.74641	0.6
96.95863	1.2
102.63876	0.6
112.17881	0.5
121.53857	0.6
183.13838	5.9
191.63634	0.6
193.12292	2.5
208.57556	0.8
211.13322	100.0
212.13654	6.5
217.00201	1.2
221.72629	0.6
226.87245	0.6
341.25186	0.6
361.23645	0.7
387.25323	2.4
389.26425	0.8
435.27509	0.7
461.29138	1.8
479.30164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42280	0.3
59.01249	0.9
69.03328	0.7
69.38705	1.5
69.39125	0.6
77.05828	0.3
78.95773	0.9
83.04858	0.4
96.95899	0.4
137.09700	0.3
152.50522	0.3
152.99449	0.5
167.14305	0.8
183.13829	6.7
184.14091	0.4
193.12283	2.0
211.13330	100.0
212.13646	5.5
245.04201	0.5
251.20120	0.3
285.16940	0.8
369.24454	0.4
387.25388	3.3
405.26471	0.8
435.27408	0.7
461.29044	1.9
462.29312	0.4
479.29526	1.0
490.89642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65057	0.5
55.01759	0.6
57.03311	0.7
59.01246	100.0
60.01576	0.7
69.03336	0.5
71.01248	16.1
71.58189	0.7
72.99181	1.3
73.02814	7.4
75.00751	0.7
83.01248	2.7
85.02821	5.0
87.00727	0.7
89.02304	8.9
94.23301	0.5
95.01268	1.2
96.95895	0.8
99.00761	1.1
101.02319	10.7
109.02871	0.5
113.02320	9.6
119.03370	3.6
125.02326	1.2
131.03400	1.1
135.04404	0.4
137.02351	0.5
143.03395	1.1
149.04437	0.9
161.04480	2.0
171.10411	0.4
179.05582	1.6
183.13823	1.4
197.61311	0.5
225.11330	0.6
238.09499	0.6
239.03423	0.7
240.03760	0.6
267.03143	0.8
268.03397	1.4
269.04089	1.6
275.19852	0.5
285.04178	1.4
311.22473	0.6
363.63235	0.5
410.34146	0.5
419.24536	2.0
437.25494	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	16.3
59.01246	70.3
63.02253	4.5
65.00194	5.9
68.99632	3.6
69.03316	16.3
70.24473	11.0
70.24881	7.9
71.01252	49.4
72.99175	46.7
73.02798	11.8
73.70717	3.4
75.00740	27.8
81.03316	13.2
83.01244	8.8
83.04899	4.5
85.02815	34.9
87.00735	16.4
88.03851	4.3
88.98672	15.0
89.02322	46.7
90.01821	9.0
91.00239	85.3
93.03314	11.9
95.01247	14.1
95.04906	10.7
97.02837	8.7
99.00731	17.0
99.04381	14.8
101.02312	27.0
108.02050	28.4
109.02839	35.7
111.00751	7.8
113.02328	28.5
119.03380	13.9
119.04897	5.4
120.52853	3.8
120.56938	4.3
121.02850	6.8
122.03586	6.4
123.00745	5.4
123.04429	12.4
124.01542	9.8
125.02337	79.6
129.01842	10.6
131.03406	4.1
133.02838	10.0
134.03685	4.9
135.04391	13.6
137.02341	18.7
137.06023	4.3
147.04332	4.1
149.02309	6.6
150.03085	9.7
151.00273	15.1
151.03915	8.6
152.01056	47.8
153.01868	34.8
154.02190	9.5
155.03395	3.8
160.03941	10.4
161.02345	13.6
161.04456	5.0
162.02696	5.6
163.03888	8.5
165.01854	6.3
165.05496	5.7
167.03412	100.0
168.03793	4.7
173.04430	12.6
178.99809	12.4
179.03407	6.7
181.05011	4.4
185.00774	9.1
190.99796	7.3
191.03596	4.3
191.05510	26.9
192.00560	9.5
193.04900	7.6
195.06609	4.6
197.04448	25.3
199.13278	5.0
203.01840	4.5
206.02081	6.3
207.02855	10.9
221.11893	4.3
223.04504	7.7
225.14943	6.4
229.08534	8.5
229.14340	12.7
249.06102	6.0
258.08737	4.7
264.80887	4.4
284.03284	22.9
287.07916	6.2
289.07285	20.2
299.05566	48.6
315.07208	13.1
316.02151	6.4
317.03052	6.2
317.06552	33.3
317.10324	15.7
359.07645	15.9
369.08398	11.6
387.20343	22.6
401.18250	6.2
423.99670	4.5
479.11597	99.4
479.21265	64.9
480.11630	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49073	1.1
53.61715	1.1
57.03324	4.4
59.01237	10.6
59.36168	1.0
63.88562	1.1
65.00224	1.3
65.29036	1.1
68.02412	1.3
69.03336	2.7
69.53430	4.6
69.53839	3.7
71.01260	5.3
72.99185	2.1
75.00761	3.9
81.00816	1.6
81.03333	2.8
83.01276	4.7
85.02810	6.1
87.00784	1.6
89.02329	2.8
93.03360	3.6
95.01308	1.5
95.04890	1.8
96.95905	1.1
97.00295	1.2
97.02847	2.1
98.01093	3.1
99.00783	2.3
99.01871	14.1
99.04411	1.9
101.02357	2.8
107.01278	1.7
108.02076	1.7
109.02827	9.3
109.06472	1.3
110.03520	1.7
111.00807	2.7
113.02348	4.0
119.04979	1.4
120.01200	1.2
121.02881	2.1
123.04453	2.8
124.01588	2.0
125.02325	40.4
129.01860	2.1
129.31644	1.3
129.64987	1.0
132.02097	3.7
133.02885	3.7
134.03630	13.8
135.04480	2.7
137.02347	4.3
139.02498	2.5
140.03310	15.3
141.04074	100.0
147.04463	1.9
147.70309	1.1
149.02419	4.4
149.05975	1.8
150.03180	2.3
151.00343	3.1
151.03914	1.7
152.01015	2.0
152.04694	1.3
153.01865	4.5
160.01570	16.1
161.02335	3.6
161.04541	1.8
163.00365	1.5
163.03915	2.3
165.01903	3.4
165.05559	2.2
167.03404	16.9
171.10239	2.3
173.04465	2.7
175.03915	30.1
176.01056	5.8
177.01782	5.3
178.99866	2.3
179.03487	2.9
183.10277	1.5
185.06023	1.4
190.99925	1.6
191.03423	3.3
191.05608	8.2
193.01404	4.5
193.05002	13.3
197.04572	4.2
201.11359	1.1
205.01460	2.3
206.02287	1.7
207.02913	1.6
215.03406	1.2
221.00914	1.8
223.02521	1.8
223.04491	2.0
225.05934	1.3
229.05119	1.4
229.14589	1.5
231.02962	2.1
235.02509	2.0
257.04608	1.3
267.29514	1.0
273.07651	1.5
284.03458	1.9
285.04263	3.1
285.08408	2.7
287.02664	1.2
299.05789	2.0
301.07233	1.6
303.09451	25.1
304.09943	1.9
311.02344	1.2
313.03665	3.7
315.05295	1.2
316.02115	1.6
316.09601	1.4
317.06613	23.5
317.10321	1.4
318.07101	2.4
329.02664	1.4
337.09238	20.8
341.03140	1.7
359.04160	9.4
359.07901	5.7
371.04025	1.3
389.05032	2.0
461.07361	2.0
479.09195	2.3
479.14331	37.5
479.21344	4.2
480.14871	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28522	1.6
57.03294	3.2
59.01249	39.3
61.98683	3.5
69.49901	2.0
71.01257	9.2
72.99184	2.0
78.95777	7.1
85.02824	6.4
89.02312	3.2
91.01772	17.1
91.09897	2.1
93.03330	4.4
95.01248	4.9
96.95914	4.8
97.02843	2.6
98.19807	3.9
99.00759	3.5
101.02335	6.5
108.02061	17.7
109.02834	6.8
113.02321	6.4
115.55016	2.5
119.04890	10.7
121.02834	20.6
121.55505	2.0
125.02380	2.5
132.02066	5.3
133.02829	13.9
133.35840	2.2
134.03606	29.8
135.00775	12.5
135.04404	41.8
147.04387	3.4
148.01559	41.5
149.02336	39.6
150.03072	5.0
151.00310	3.4
151.03914	2.6
151.07518	2.3
152.99492	6.3
153.01833	24.1
160.01547	13.1
161.02322	11.5
162.03162	3.7
163.03920	36.4
164.04613	4.4
165.05507	9.9
165.11472	2.4
165.12756	3.5
169.06473	5.4
171.10143	14.3
173.04544	2.5
173.05983	8.0
175.03928	20.3
176.04630	6.6
177.05525	6.0
178.02492	2.3
179.03398	10.8
179.06996	3.7
180.00555	52.4
180.04128	7.5
191.07057	4.7
193.05058	5.0
194.05705	11.0
195.04890	3.7
195.06503	17.4
197.06024	5.6
199.03931	5.5
201.05482	16.6
209.08160	6.6
213.05373	3.1
219.06578	9.4
220.07182	3.0
224.04762	3.3
225.05443	11.2
226.02533	2.5
226.06311	3.5
227.03473	10.2
241.05016	12.3
251.03505	2.5
253.05013	3.0
255.02832	5.1
256.03598	4.1
269.04526	100.0
270.05267	52.8
271.06079	22.5
283.02411	6.1
283.06235	5.5
284.03113	6.4
285.03976	8.4
285.07660	21.7
307.09601	2.7
308.13718	2.1
313.07004	2.2
428.30548	2.4
441.09354	2.2
449.12329	22.0
450.12888	2.6
461.12387	19.8
479.13504	43.3
479.19711	6.8
479.31390	6.3
480.13672	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	479.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42988	0.1
57.03324	14.6
57.24500	0.1
57.93745	0.1
58.03648	0.2
59.01244	0.4
69.41335	0.4
69.41738	1.0
71.01256	0.2
81.03336	1.0
83.01257	3.4
83.08622	0.1
85.02808	0.2
93.03331	0.2
95.73640	0.1
101.02332	0.2
109.02847	0.2
119.04906	0.2
124.01559	1.2
125.02338	100.0
126.02666	2.7
133.02834	0.2
137.02357	0.6
139.03891	0.4
148.01505	0.3
148.02675	0.1
150.03035	0.2
161.20265	0.2
163.00223	0.2
165.01819	0.3
165.05414	0.3
176.01083	1.3
177.01859	0.7
191.03429	2.0
192.04140	0.4
207.06630	0.2
216.04086	0.2
258.05350	0.2
285.03976	0.2
301.03790	0.2
317.06595	0.6
341.08981	0.2
391.26337	0.1
479.11954	6.6
480.12207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0833
Annotation	Telephioidin
Peak:m/z	Relative Intensity
59.01251	22.0
63.97203	2.6
65.00209	4.4
65.03867	3.1
69.03318	4.9
70.58512	2.7
70.72289	8.1
70.87298	3.8
71.01246	10.7
72.99187	6.6
73.02812	4.7
75.00729	3.1
81.03333	6.6
83.01273	8.6
85.02783	7.0
86.65749	2.6
89.02312	7.0
91.01780	3.0
93.03331	13.0
95.01248	6.2
96.95945	3.3
97.02824	7.5
98.85482	2.9
99.00746	3.8
101.02282	3.5
103.94930	2.9
104.81714	2.8
107.01273	7.3
107.04919	3.2
108.02070	8.2
109.02847	51.0
110.03122	3.0
111.00768	8.7
111.04406	4.0
113.02370	6.9
121.02836	12.2
123.00766	6.4
123.04410	8.3
124.01579	4.0
125.02338	32.0
129.01826	3.1
133.02827	17.0
135.00797	6.8
135.04407	15.6
137.02339	27.8
138.03059	3.5
139.00227	7.4
139.03891	3.6
141.07635	3.1
147.04405	3.4
149.02348	22.1
150.03065	4.0
151.00275	17.8
151.03906	6.6
152.01041	11.5
153.01839	25.9
154.02177	3.9
155.03368	4.9
157.06438	3.1
159.04364	4.3
161.02322	13.7
163.00276	16.9
163.03862	8.5
164.01074	5.2
165.01849	25.9
165.05481	4.9
165.54691	2.8
166.02553	10.0
167.03406	14.9
173.04417	3.6
175.03914	6.8
176.01051	4.3
177.01859	32.7
178.99741	14.4
179.03386	10.6
180.00424	4.2
181.01338	9.1
181.04797	3.6
183.02884	3.2
187.03816	3.6
190.99806	17.7
191.03416	8.7
191.05522	11.0
192.00478	5.5
193.01338	28.7
194.02193	3.7
195.02950	5.5
197.04448	3.4
201.01863	3.2
201.11208	3.3
202.99802	9.9
203.03391	7.1
205.01384	31.8
206.01964	4.0
207.02895	4.9
213.05548	6.3
214.02818	3.7
215.03442	4.7
217.05063	5.1
219.03000	3.9
219.53413	3.0
221.00813	16.4
222.01411	3.5
223.02454	40.0
225.05656	3.1
227.03526	7.3
229.01411	4.9
230.99304	3.4
231.02919	11.5
235.02425	8.9
241.05069	4.3
242.02034	6.5
243.02840	6.0
245.04285	3.1
249.00317	18.7
250.01138	5.0
251.01845	3.6
257.04468	6.7
259.05905	4.2
269.04453	7.5
271.02460	8.4
271.05780	3.6
284.03052	4.2
285.04016	12.4
287.02438	4.3
287.05682	12.4
297.03854	5.1
298.04663	7.5
299.05453	7.1
313.03436	43.4
315.04987	17.5
316.02197	24.0
317.02853	8.1
317.06339	3.6
327.05051	10.4
329.02975	4.7
331.04630	6.4
341.02704	15.4
343.06540	11.6
345.06030	4.5
359.04050	100.0
360.04340	11.0
371.03894	7.2
389.05142	28.7
390.05893	6.8
407.09943	4.0
443.06116	3.4
446.08542	13.3
461.07236	15.3
479.08139	82.4
479.21829	3.4
480.08466	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	479.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	7.6
58.11536	2.5
59.01244	14.0
65.00193	3.7
67.01770	2.3
68.09753	2.0
69.03326	6.8
69.78219	13.7
71.01257	8.7
72.99185	2.7
73.02808	2.7
75.00748	3.1
77.03832	2.0
79.01775	3.5
81.03329	12.1
83.01257	9.0
85.02831	8.1
89.02312	5.0
93.02826	2.0
93.03310	11.1
95.01267	5.7
95.04900	8.7
97.00336	2.8
97.02822	10.5
98.01080	3.2
99.01877	16.0
99.04380	7.6
101.02327	4.9
105.03378	2.2
107.01276	7.3
108.02054	8.2
109.02829	40.3
111.00765	4.9
112.99475	2.4
113.02333	5.9
117.03361	5.0
119.04938	2.6
121.02829	8.8
123.00795	6.4
123.04371	11.3
124.01576	6.1
124.49854	2.0
124.98734	3.4
125.02339	61.4
132.02068	6.6
133.02841	14.8
134.03625	16.0
135.00806	5.5
135.04362	7.7
137.02348	19.6
138.03041	2.4
139.00273	3.5
139.02499	2.4
139.03902	5.4
140.03293	15.9
141.01808	4.0
141.04074	100.0
147.04436	7.1
147.51369	1.9
148.01582	2.2
149.02353	17.6
149.06062	2.5
150.03093	3.1
151.00269	8.7
151.03896	6.1
152.01051	11.2
153.01839	18.4
159.04414	3.0
160.01572	18.6
160.03760	2.3
161.02296	7.9
161.04468	3.0
163.00273	11.9
163.03897	2.8
164.01068	5.7
165.01868	21.4
166.02594	6.6
167.03406	69.1
168.03741	2.7
169.01414	2.4
171.10228	3.0
173.04509	3.8
175.00363	3.6
175.03920	39.1
176.01073	6.3
177.01846	20.9
178.02530	3.3
178.99803	5.5
179.03436	8.3
179.95206	2.5
181.01285	6.5
182.02072	2.3
187.03889	4.6
187.07512	2.0
189.01868	3.8
190.99791	15.7
191.03464	10.7
191.05487	8.3
192.00417	2.9
193.01308	26.5
193.04974	15.0
194.02179	3.6
195.02863	3.5
197.04445	19.5
199.03998	3.1
202.99799	2.9
203.03481	5.0
205.01360	19.5
205.03227	3.5
205.05118	2.7
207.02907	7.8
209.00862	2.4
213.05510	2.6
215.03285	3.2
217.01392	3.5
217.05011	4.3
219.02890	4.6
221.00902	7.7
223.02534	10.5
227.03522	3.1
229.01353	2.3
229.05048	3.0
231.02960	3.9
231.06511	2.2
235.02391	9.6
241.05112	6.4
242.02122	2.8
243.02867	3.9
243.06656	4.1
245.04408	3.8
249.00316	11.6
257.04468	6.7
259.06158	6.3
269.04510	7.8
271.02472	2.6
271.05890	2.5
273.04172	2.5
284.03320	4.5
285.04120	13.3
286.04431	2.8
287.02689	2.3
287.05594	6.9
297.04059	8.2
298.04532	3.8
299.05475	4.9
301.03381	4.7
303.06018	2.8
303.09457	24.0
313.03445	32.8
315.04712	13.3
316.02078	7.9
317.03024	4.2
317.06552	22.8
317.10129	3.9
327.04938	3.3
329.02887	4.1
331.04477	5.3
337.09250	22.3
341.02789	11.6
345.06165	5.6
359.04028	61.7
359.07849	14.3
360.04333	7.2
371.04025	6.2
389.04794	13.7
389.09262	2.4
390.44266	2.2
407.09570	4.7
433.07773	4.4
446.08316	2.2
461.06985	20.8
479.08130	31.1
479.14105	36.2
479.21426	5.2
480.12619	2.8
483.11929	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.083
Annotation	Quercetagetin 6-glucoside
Peak:m/z	Relative Intensity
56.29665	0.8
57.03310	1.2
59.01250	7.0
59.67009	1.0
60.98125	0.9
64.33908	0.8
65.00187	2.7
68.99664	1.4
69.03310	1.0
70.97836	1.9
71.01259	5.4
72.99159	0.8
73.02815	0.9
75.00761	1.1
80.36044	0.8
83.01239	2.8
85.02834	4.1
85.82670	0.8
87.00741	0.9
89.02305	2.4
93.03321	1.9
95.01241	4.6
97.02820	1.2
99.00752	2.0
101.02311	2.5
107.01257	3.4
108.02083	1.8
109.02829	7.1
109.99978	6.4
111.00776	6.6
113.02312	2.1
121.02837	1.1
123.00753	5.5
123.04427	0.8
124.01561	4.0
125.02338	7.3
133.02815	1.5
135.00729	1.5
136.01526	1.3
136.98689	2.9
137.02345	3.8
137.99454	3.1
139.00266	10.2
143.04909	1.4
146.03659	1.0
147.00694	0.9
147.04382	1.0
148.01535	1.9
149.02336	2.8
150.03084	1.3
151.00255	15.9
151.03859	1.5
152.01060	9.3
153.01851	2.9
155.90004	0.8
159.04379	2.2
161.02347	2.5
163.00246	5.5
163.03798	1.0
164.01054	4.8
165.01787	1.5
165.98985	6.4
166.99751	6.1
169.01315	1.8
171.04410	2.8
172.05104	1.1
173.02303	1.1
173.04468	1.1
173.06036	1.5
174.03130	2.4
175.03891	2.2
178.99771	12.5
181.01286	1.3
183.04420	1.7
185.02394	2.0
186.03113	1.4
187.03902	4.1
188.04628	1.6
189.01839	2.6
190.02400	0.9
190.99739	1.3
191.03523	0.9
191.05544	5.1
192.00609	2.0
194.99144	1.0
197.90703	0.9
198.03139	2.7
199.03888	6.9
199.13344	3.2
200.04651	0.9
200.39137	0.9
201.01805	2.5
202.02625	1.1
203.03441	3.3
205.03444	0.9
206.99207	1.6
207.10185	2.5
208.00005	1.3
211.03989	1.2
213.01880	1.9
214.02618	5.4
215.03436	8.1
216.04095	3.0
217.01292	1.1
217.05020	1.0
218.02226	1.2
219.03078	1.1
225.11237	6.9
226.02640	2.9
227.03406	10.5
228.03963	1.4
229.01317	1.6
229.08704	1.5
231.02957	6.3
232.03455	1.3
241.01463	2.8
242.02119	8.2
243.02936	17.5
244.03653	4.6
245.00922	0.8
245.04504	2.2
255.02953	6.7
257.00577	1.0
259.02390	5.5
260.03110	2.4
269.00906	1.1
270.01602	10.9
271.02454	53.4
272.03079	11.7
273.03940	6.9
287.01938	24.9
288.02686	16.2
289.03293	1.8
298.01178	3.7
299.01950	41.2
300.02362	4.0
301.03253	1.5
315.01468	1.9
316.02185	76.3
317.02933	39.7
318.03345	1.7
343.06366	1.0
417.78613	1.0
461.07230	2.0
461.19989	1.1
479.08252	100.0
479.21384	8.1
480.08624	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	477.2851
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
50.64506	0.6
57.03302	2.4
58.18216	0.6
59.01251	5.4
59.93607	0.6
65.03822	1.6
69.03305	1.9
70.92754	0.6
70.93086	1.2
71.01234	1.4
71.04890	1.0
73.02824	0.8
79.05354	0.7
81.03320	1.4
83.04888	8.0
83.10057	0.5
85.06454	1.9
91.05416	0.9
93.03316	2.0
95.04878	1.7
97.06474	3.4
105.06971	1.3
106.04132	0.7
107.04906	1.5
107.08538	0.9
109.06461	3.6
111.04371	1.5
111.08042	7.1
111.69083	0.6
119.04878	2.4
121.06482	1.8
123.08017	2.6
125.09613	9.1
127.11158	1.4
133.06468	1.1
133.10182	0.8
135.08023	2.6
137.09595	1.7
139.07558	1.0
147.11725	0.7
149.09555	1.1
151.11136	1.3
153.09116	1.2
163.07573	0.8
163.11258	0.9
165.12770	0.6
171.10172	100.0
172.10583	3.4
175.11186	1.2
177.12796	0.8
183.13782	1.1
185.11794	2.9
187.09653	1.2
187.14864	1.6
189.12859	0.9
189.16533	0.7
191.10600	0.9
193.12306	0.9
203.14345	2.4
205.15903	5.9
205.61331	0.6
207.13838	1.3
209.11760	13.1
211.13327	13.5
213.12755	1.7
215.14368	2.7
221.15308	4.7
227.17841	0.6
231.13889	10.4
233.11815	0.8
233.15428	15.5
234.15804	0.7
235.13461	1.2
237.15021	1.0
239.08153	0.7
239.16614	1.4
247.17088	1.7
249.14920	48.7
250.15244	3.1
251.16541	1.0
255.02931	1.6
265.18185	0.6
271.16962	1.0
289.18204	1.0
291.15985	0.9
305.17618	2.4
308.16196	0.7
309.20776	1.0
313.25525	1.1
323.18552	1.0
323.23886	0.7
331.26462	2.0
331.86624	0.6
339.23422	0.7
341.24792	2.9
349.21890	0.7
357.24374	2.6
359.26089	2.3
367.22684	3.1
375.25540	5.1
385.23795	14.4
386.24213	1.7
403.24854	17.3
404.25269	2.2
431.27872	0.8
441.26523	2.5
449.29184	2.7
450.29468	0.7
459.27515	42.9
460.27921	4.7
475.48032	0.7
477.28677	46.1
478.28934	5.7
500.73026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.2
57.03310	1.8
58.00462	1.2
59.01248	100.0
60.01584	1.1
61.98682	0.7
66.03360	0.9
69.03313	0.6
69.26144	2.0
69.26563	5.9
71.01250	28.6
72.99197	1.7
73.02819	8.3
75.00748	1.5
79.95653	0.7
83.01272	3.1
85.02822	10.6
85.91785	0.6
87.00759	2.4
89.02309	18.1
89.02819	1.2
93.03319	1.2
95.01278	2.6
95.07870	0.7
99.00758	2.9
101.02315	25.2
105.24353	0.7
109.02849	0.8
110.02348	1.7
111.00755	0.8
112.03050	0.7
113.02332	14.1
119.03381	8.0
119.04877	1.0
125.02348	1.6
129.01846	0.7
131.03398	1.1
134.03653	0.9
135.04414	0.9
137.02341	1.9
143.03424	2.9
149.04530	1.1
151.00261	0.8
152.01044	0.9
159.02927	1.8
160.01546	0.7
161.04460	18.4
162.04802	1.1
167.77043	0.6
175.03883	1.0
179.05553	5.9
183.13828	1.8
198.07860	0.7
226.07420	3.5
241.09744	8.1
255.19615	1.8
271.10867	11.8
272.11313	0.9
285.03989	0.9
299.02124	0.9
315.09933	6.9
329.11374	1.4
357.11084	1.9
407.10193	0.9
417.24878	33.4
418.25323	4.3
452.35681	0.7
477.10696	1.1
477.14017	1.0
477.20129	1.4
477.30847	2.0
478.20178	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10434	0.7
55.01758	2.2
55.76292	0.7
57.03315	2.6
58.00478	1.5
59.01251	100.0
60.01582	1.1
62.41440	0.6
69.33099	6.3
71.01257	41.0
72.99189	2.5
73.02818	9.0
75.00757	2.8
83.01276	3.6
85.02826	18.2
85.82961	0.6
87.00752	3.9
89.02316	21.1
95.01277	3.5
98.19793	1.2
99.00747	4.7
101.02322	31.7
111.00787	0.8
111.08045	1.0
112.01553	0.6
113.02330	20.0
119.03386	10.6
124.02421	0.7
125.02344	1.6
129.01910	0.8
131.03453	2.1
143.03416	4.8
149.04478	1.0
153.01862	0.8
159.02928	2.8
161.04469	22.5
165.12758	5.7
175.02492	1.1
179.05544	6.2
183.13826	13.1
205.03561	1.2
209.11769	1.2
227.12894	1.2
249.06155	3.0
255.19730	2.6
257.13354	0.7
267.07291	2.8
285.03995	1.0
299.02509	0.7
301.16641	1.6
417.04285	0.8
417.24921	49.9
418.25317	5.9
477.12863	1.5
477.19516	16.2
478.20209	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90369	1.1
59.00946	1.7
59.01245	26.7
60.99177	9.6
65.03819	1.1
67.01746	1.3
69.03301	3.4
70.34235	1.2
71.01244	7.0
71.58431	1.9
72.99174	4.4
73.02808	3.3
74.02284	1.3
75.00731	4.8
79.17814	1.1
81.03330	2.2
85.02803	7.7
87.00733	3.4
88.00277	9.1
88.98671	70.2
89.02309	32.3
90.01817	1.8
93.03329	3.1
95.01228	5.1
96.95853	2.7
97.02818	2.9
99.00744	1.5
101.02291	4.7
108.02040	36.4
109.02159	2.5
109.02843	44.6
111.00749	1.7
113.02298	4.9
117.18898	1.2
119.04922	1.5
123.00736	5.1
123.04369	3.1
124.01546	2.1
124.22354	1.4
125.02287	4.9
127.08656	1.4
128.03368	2.3
133.02852	20.5
134.03596	3.4
135.04417	10.5
137.02280	3.7
139.00246	2.4
149.99429	2.0
151.00220	1.5
151.99921	1.7
152.01050	23.9
153.01828	94.0
154.02170	2.7
161.02342	56.8
161.04454	3.4
162.02661	2.1
163.03830	1.3
165.01903	1.7
165.05391	1.6
168.00508	5.4
168.02776	1.3
169.12219	4.9
173.04436	4.5
175.03958	1.4
179.03386	6.5
191.05473	5.5
197.11760	5.5
203.03384	1.2
211.53308	1.1
227.03400	1.5
227.96642	1.2
249.05736	2.8
255.02911	1.9
267.07053	2.4
270.05319	3.4
285.07333	1.1
300.02570	1.8
314.04300	1.6
315.04938	5.3
315.08215	5.0
323.07568	5.1
331.06693	6.4
332.07089	1.4
387.20001	2.7
417.25281	2.2
477.10205	100.0
477.19330	11.6
478.10590	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	477.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	4.6
59.01247	100.0
64.92129	3.9
71.01247	63.0
71.58281	5.9
71.58678	4.9
72.99165	45.7
73.02807	7.8
75.00737	25.3
83.01270	7.1
85.02820	40.7
87.00749	10.6
89.02313	48.1
90.01812	12.3
91.00238	96.3
91.29362	4.5
95.01283	5.1
97.02820	5.0
97.06561	4.1
99.00731	9.7
101.02320	35.4
108.02067	11.8
109.02859	11.4
113.02310	25.2
114.02645	5.1
119.03389	18.3
125.02309	7.5
129.01831	4.0
133.02826	10.0
134.99054	4.2
135.04369	10.1
138.06740	4.9
138.31386	4.5
139.07529	7.8
151.03854	6.1
151.07486	6.5
152.01030	6.8
152.08394	5.9
153.01826	30.5
153.09099	21.7
161.02324	11.8
161.04460	11.6
165.09258	5.0
167.03404	10.7
179.05527	18.4
179.06984	5.3
191.05565	10.2
205.12247	8.8
210.63464	4.1
219.10275	14.7
221.11751	8.0
227.12794	7.8
237.11331	4.8
240.76300	4.1
249.06097	6.3
255.12016	4.7
256.03732	15.4
267.07278	5.5
271.02487	6.6
271.06140	20.8
274.72293	4.3
296.03296	4.5
315.05014	9.2
477.10107	37.7
477.20096	26.3
478.10748	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71210	0.5
54.30654	0.5
55.01757	1.1
55.49101	0.5
55.97676	0.5
57.03319	3.4
59.01248	16.0
67.01794	0.5
69.03295	0.6
70.27119	0.4
70.98946	1.3
71.01250	20.2
71.62049	0.4
72.99181	5.5
73.02826	1.6
75.00740	12.6
81.11255	0.5
83.01260	1.6
83.04925	0.5
84.11486	0.5
85.02821	20.1
87.00748	8.1
89.02316	5.4
93.03337	0.6
95.01237	5.0
95.39131	0.6
99.00756	9.0
101.02327	2.3
103.00256	1.7
108.02108	0.5
111.00728	0.8
111.08004	1.1
112.01551	0.6
113.02323	25.9
114.02672	0.7
115.00245	2.1
117.01838	1.5
126.64689	0.5
129.01794	1.8
131.03419	0.5
131.74724	0.6
138.05563	0.6
143.03334	0.5
149.04445	0.6
151.03894	0.9
152.01088	0.7
157.01332	1.5
165.12741	9.8
175.02408	3.1
183.13820	67.4
184.14183	3.6
205.07085	1.2
209.11761	1.7
218.43712	0.5
227.12814	5.8
237.04088	0.6
249.06082	5.7
252.06381	0.6
264.15710	0.5
267.07083	25.0
268.07440	0.8
273.07715	0.6
285.03867	0.9
300.06345	0.5
301.03473	0.5
301.16556	4.7
312.08554	0.6
315.08463	1.1
381.87903	0.5
415.19812	5.0
433.20602	0.7
459.18533	3.5
477.19736	100.0
478.20081	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	477.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79940	0.3
55.01747	0.5
55.06931	0.3
57.03325	3.5
58.00475	0.5
59.01251	13.4
61.98671	0.4
67.01755	1.0
67.58864	0.3
68.99681	1.6
69.03327	0.7
69.27207	3.2
71.01252	17.0
72.99182	5.7
73.02810	1.4
75.00747	13.1
79.39378	0.3
83.01249	1.0
84.02048	0.5
85.02823	16.4
86.03180	0.4
87.00746	6.1
89.02318	3.8
91.03883	0.6
93.03349	0.6
95.01260	4.7
95.56180	0.3
99.00756	9.0
99.04391	0.4
101.02317	1.0
103.00266	1.3
109.02859	0.3
111.00778	0.9
111.08034	1.4
113.02329	17.9
114.02601	0.4
115.00259	2.1
117.01838	2.0
129.01834	1.4
131.03441	0.4
139.00273	0.3
146.47107	0.3
157.01328	1.4
165.12762	11.9
166.13094	0.7
175.02423	2.2
183.13829	87.4
184.14200	4.5
191.05548	0.5
205.07068	0.6
207.05069	0.4
209.11765	1.8
210.89853	0.3
227.12856	6.8
228.13168	0.4
229.39561	0.3
231.05067	0.8
249.06123	11.3
250.06613	0.7
261.86703	0.3
267.07199	12.8
268.07532	0.6
285.03922	0.5
301.16565	5.4
355.16840	0.3
411.39557	0.4
415.14560	0.5
415.19754	5.7
416.19815	0.7
433.20712	0.8
459.18668	3.1
477.19760	100.0
478.20126	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	477.1979
Annotation	Rhodamine B
Peak:m/z	Relative Intensity
52.06192	0.6
52.92100	0.6
55.01762	0.7
57.03318	2.9
58.00481	0.8
59.01249	36.3
59.47025	0.5
61.85749	0.5
61.98701	0.7
65.00191	0.7
68.15780	0.5
68.99684	1.4
69.03310	1.8
69.39410	5.3
71.01251	20.7
72.99182	6.1
73.02812	3.3
75.00740	18.2
81.03298	0.6
83.01240	2.3
83.04879	1.3
85.02822	19.5
87.00751	5.4
89.02320	4.6
93.03336	1.9
95.01263	6.1
95.04916	0.7
97.02830	0.9
97.06461	1.5
99.00752	9.2
100.49667	0.7
101.02320	4.3
103.00242	1.1
107.01245	0.8
108.02048	0.7
109.02853	1.2
111.00768	0.9
111.04406	0.7
111.08041	2.6
113.02334	22.8
115.00236	2.0
117.01826	2.4
118.13383	0.6
119.03372	0.7
119.04901	2.9
120.05244	1.3
123.04346	0.7
125.02345	1.2
129.01816	1.4
135.04388	1.3
137.02348	0.8
139.00246	0.6
143.03418	0.6
145.02817	1.8
149.99600	0.7
151.00328	3.1
152.00677	1.4
157.01344	0.9
161.02324	0.9
161.04494	3.4
163.11279	0.8
165.01791	0.7
165.12772	15.2
166.13095	1.5
173.04521	0.8
175.02391	2.3
175.03804	0.9
181.12234	1.2
183.13824	12.6
191.05640	0.7
205.07036	1.2
209.11765	8.5
227.12839	56.7
228.13162	2.3
231.05005	2.2
249.06126	15.0
250.06454	0.8
252.06375	0.8
267.06885	3.9
271.02347	0.7
271.06067	4.1
272.06555	3.0
273.06732	5.5
289.07269	1.1
300.02499	1.0
304.50296	0.6
315.04916	1.0
315.08707	1.0
417.24911	5.9
435.25537	0.8
459.18674	2.9
477.19705	100.0
477.30783	3.1
478.20120	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	477.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84828	0.5
69.03323	2.0
70.81299	0.7
70.81650	1.5
73.64666	0.5
81.03347	0.6
83.01260	0.9
97.02834	2.1
105.03426	0.5
123.00774	4.0
124.01552	13.8
125.02337	39.8
126.02631	1.0
137.02345	1.0
149.99498	19.5
151.00253	2.1
167.03413	1.8
168.00549	47.6
169.01303	4.2
193.01421	0.8
358.95331	0.6
374.33130	0.5
377.18909	0.6
433.13879	0.6
459.11377	1.4
477.12457	100.0
478.12665	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.8
60.35956	0.7
64.49892	0.7
68.21910	0.8
69.03316	3.0
71.01261	1.2
71.57370	0.8
75.00743	0.8
81.03336	1.1
83.01255	2.1
85.02827	1.3
87.00732	1.4
89.02258	0.9
91.66813	0.7
95.01249	1.6
97.02820	2.6
101.02290	1.3
107.01273	2.4
108.02039	2.9
109.02817	2.7
121.02937	0.8
123.00753	5.6
124.01551	17.0
125.02333	67.7
126.02621	1.9
133.04926	0.9
135.02873	3.1
137.02325	2.3
139.03812	1.1
149.02393	0.8
149.99489	26.6
151.00267	8.7
152.01033	3.0
153.01808	2.8
167.03424	3.3
168.00549	72.9
169.01317	9.1
170.01611	1.0
175.00240	3.1
179.03456	0.9
182.02078	2.1
193.01317	4.8
210.01608	0.9
211.02386	0.9
279.53043	0.7
300.83597	0.9
357.08185	4.7
459.11411	1.7
477.12451	100.0
478.12814	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	477.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59827	0.5
56.87827	0.5
57.03315	0.6
59.01246	10.7
59.94336	0.5
67.17739	0.5
69.44202	2.0
69.44626	2.2
71.01260	1.9
73.02843	0.8
78.95779	2.1
85.02850	1.0
89.02324	1.0
91.01781	1.9
100.80277	0.5
101.02328	1.7
104.02575	0.7
108.02113	0.5
109.02840	2.0
110.98430	1.4
113.02322	1.0
117.12148	0.5
132.02055	10.1
133.02771	1.0
135.00786	2.6
151.03844	0.9
153.01834	2.5
155.04901	1.3
159.00778	1.5
161.02335	2.1
161.04424	0.6
162.03061	0.7
165.05490	2.1
167.01111	1.1
167.04936	1.0
171.10149	1.1
176.04744	0.8
179.03398	3.2
180.04190	1.8
182.03650	0.7
183.04430	2.9
183.13768	0.7
184.05183	2.2
185.02203	1.1
191.10678	0.6
193.12236	0.5
194.05719	2.6
195.04439	4.4
195.06548	7.2
197.11757	2.3
209.08041	2.4
209.11739	1.0
210.03180	0.9
211.03932	14.3
211.13409	0.8
212.04675	2.2
223.03981	3.1
224.04626	1.8
228.60638	0.5
239.03448	92.7
240.04129	16.3
241.04729	0.5
251.03436	2.1
265.05035	1.4
267.02957	100.0
268.03714	79.9
269.04224	8.0
282.05206	2.5
283.06100	5.1
284.06412	0.7
285.04102	1.0
291.19638	1.6
309.20715	5.4
315.25317	0.9
326.04037	0.6
338.04770	0.6
338.17606	0.5
396.06223	0.6
429.05975	0.9
447.10773	2.8
459.10822	3.6
460.10938	0.8
477.11942	8.8
477.22522	4.7
477.30508	1.6
478.12024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1036
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
59.01253	1.8
63.02285	0.4
68.59621	0.3
69.39310	1.9
71.01235	0.6
73.02813	0.3
73.33831	0.2
83.01243	0.6
85.02831	0.6
89.02341	0.3
93.03349	0.3
101.02323	0.7
107.01269	0.9
108.02077	0.4
109.02834	0.8
113.02351	0.5
125.02343	0.5
133.02841	0.7
134.03525	0.3
135.04254	0.3
138.62886	0.3
151.00262	2.3
153.01779	0.8
161.02296	0.6
168.00517	0.3
169.01291	0.3
171.04448	0.5
175.03894	0.6
178.99739	0.4
187.03917	0.4
196.68233	0.3
199.03938	2.6
201.01855	0.4
203.03497	0.6
215.03319	1.3
224.89348	0.3
225.71707	0.3
226.02713	0.4
227.03435	2.3
242.02103	0.6
243.02933	3.1
255.02937	0.8
271.02457	45.1
272.02820	2.9
279.53931	0.3
285.04044	0.8
299.01941	100.0
300.02451	13.0
301.03418	1.2
314.04288	19.9
315.01285	0.5
315.04883	5.1
316.05624	0.4
342.03629	0.5
357.06204	0.7
449.10703	0.9
462.08017	0.6
477.10342	87.0
478.10757	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1038
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
51.83505	0.7
55.19497	0.8
57.03321	0.9
58.00488	0.8
59.01246	30.4
59.33994	0.8
69.03323	3.6
71.01253	10.4
71.59087	1.3
72.99199	1.9
73.02818	3.0
75.00744	2.1
81.03323	2.8
83.01254	2.5
85.02811	7.9
87.00753	3.1
89.02321	3.2
93.03331	1.5
95.01266	5.5
97.02846	1.9
99.00734	1.2
101.02329	4.8
105.72568	0.8
107.01276	2.4
107.04934	1.1
108.02045	38.2
109.02837	51.2
111.00746	1.3
111.04420	0.9
113.02341	4.2
115.00246	3.7
117.03337	1.7
119.03364	1.2
119.04926	2.4
121.02847	0.9
123.00761	13.6
123.04388	1.1
124.01544	5.8
125.02340	19.8
126.02616	0.8
132.02080	1.3
133.02835	20.5
134.03598	1.0
135.00832	1.0
135.04410	13.9
137.02330	2.3
139.00308	0.9
139.03851	1.0
145.02847	1.6
148.01588	1.4
149.02417	1.2
149.99492	9.5
150.03018	0.9
151.00296	6.7
151.03860	1.6
152.01051	29.3
153.01833	100.0
154.02190	2.9
160.01544	1.0
161.02344	61.6
161.04494	3.1
161.09717	0.9
162.02696	2.3
163.00273	1.4
163.03874	2.2
167.03363	2.8
168.00554	19.6
169.01276	2.5
173.04538	1.1
175.02383	6.9
175.03944	2.2
178.99693	1.1
179.03426	7.9
179.10677	2.1
190.02737	0.9
190.99780	1.5
191.05516	1.8
195.03162	1.0
197.11766	19.3
203.03510	1.0
205.05051	1.5
215.03320	1.0
227.03412	1.6
241.10889	1.7
243.02991	1.8
253.09143	1.3
255.02722	0.8
256.03784	1.3
267.07156	0.7
271.02466	2.7
272.03244	8.2
273.03876	2.4
284.03342	1.1
285.04083	2.8
287.01862	1.4
299.02081	2.8
299.05310	1.8
300.02795	6.9
300.06073	1.5
301.03360	1.7
313.05841	3.7
314.04141	1.3
315.01434	1.2
315.04669	11.4
315.08142	2.9
316.04907	0.9
316.08374	1.0
323.07715	3.3
331.06671	44.7
332.06882	2.5
417.24542	1.9
433.11395	2.5
477.10345	86.1
477.19687	21.3
478.10623	9.4
478.20016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1035
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
56.99672	0.6
57.03306	0.8
59.01256	4.4
59.58146	0.6
69.03333	1.2
70.98862	0.9
71.01242	3.3
73.02805	1.4
81.03322	1.8
83.01289	0.9
85.02821	3.3
89.02314	1.8
95.01251	2.0
101.02296	2.8
101.69896	0.6
105.03329	0.8
107.01284	0.9
108.02049	26.5
109.02834	37.9
110.03160	1.0
113.02319	1.8
119.03386	1.0
123.00732	1.7
125.02303	1.7
132.02135	0.7
133.02843	14.0
134.03516	0.8
135.04410	8.7
137.02394	1.0
143.03473	0.9
151.00212	0.9
151.99908	1.3
152.01047	18.1
153.01834	78.9
154.02165	2.6
161.02350	41.3
161.04395	1.0
162.02641	1.7
163.05972	0.7
168.00497	1.5
175.03915	0.8
179.03416	5.8
203.03397	1.0
272.74307	0.6
287.05704	1.2
300.02783	1.1
315.07339	2.1
323.07736	3.7
331.06659	2.6
331.17697	0.9
342.87241	0.7
433.11292	2.5
459.09482	0.8
477.10345	100.0
478.10806	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96272	0.4
69.27586	1.4
69.28024	1.0
78.95774	100.0
96.96838	9.2
96.97482	0.3
114.04501	0.2
124.54073	0.3
140.01024	0.5
150.97917	0.3
152.99489	14.0
171.00548	14.4
214.04889	0.4
279.23538	0.3
312.06689	0.3
402.24155	0.7
433.00226	0.2
476.27789	39.8
477.28076	3.6
484.30197	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.8
70.07771	1.6
78.95773	100.0
96.96837	7.7
98.20455	0.4
98.57541	0.4
113.28088	0.3
122.98297	0.4
134.39012	0.3
140.01094	0.9
150.97876	0.3
152.99483	17.8
171.00545	18.3
197.40643	0.4
201.85201	0.3
214.04767	1.3
279.23267	27.9
280.23557	2.0
402.23926	1.9
403.24295	0.4
417.72241	0.3
476.27802	57.6
477.28101	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	475.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19936	0.5
52.67422	0.5
53.62452	0.5
55.01759	1.0
57.03319	2.4
58.00465	1.0
59.01248	100.0
60.01572	1.1
61.06214	0.6
61.30438	0.5
62.57122	0.5
63.92499	0.5
68.66389	0.5
69.03331	1.8
69.48492	4.8
71.01250	27.9
72.99174	1.9
73.02814	19.9
75.00739	0.7
83.01254	5.5
85.02817	10.5
87.00762	2.6
87.04396	0.7
89.02309	15.2
93.03344	0.9
95.01280	3.1
97.02830	0.9
99.00776	2.3
99.04395	1.0
101.02316	24.6
101.05987	0.8
109.02822	0.9
111.08041	1.0
113.02317	16.2
119.03386	7.7
119.04952	1.1
125.02334	1.7
131.03404	2.5
137.02336	1.4
143.03435	3.5
149.02361	0.6
149.04480	2.5
153.01807	0.7
155.03421	0.7
159.10170	1.3
161.04465	10.5
167.93933	0.5
179.05566	4.1
181.12320	1.5
183.10298	1.0
189.11243	1.0
191.05621	1.3
195.13861	2.9
203.05606	1.2
221.06604	0.7
230.65872	0.6
233.10338	0.8
249.06306	0.7
253.18037	3.3
267.07178	0.7
268.03711	4.1
269.04193	5.3
270.04367	6.7
271.05911	1.0
271.19144	1.5
300.47073	0.6
303.14606	1.9
321.15530	2.1
333.15707	1.2
351.16788	1.0
363.16547	1.1
415.23267	7.5
415.27792	0.7
416.23676	0.8
433.24402	6.7
457.24258	1.1
475.11594	10.0
475.18124	4.3
475.24722	0.8
475.29697	0.9
476.11667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.9
57.03329	2.4
58.00482	0.7
59.01249	100.0
60.01588	1.2
61.79033	0.5
69.03333	1.0
69.30571	0.6
70.89782	0.9
70.90102	0.6
71.01251	29.8
71.04906	1.3
72.99188	0.8
73.02819	15.5
75.00742	0.8
81.03340	1.2
82.99510	0.5
83.01246	4.3
85.02817	7.8
87.00755	4.7
87.04409	2.0
89.02317	14.7
92.22164	0.6
93.03342	0.7
95.01292	2.2
97.02849	1.6
99.00758	1.4
99.04402	1.4
101.02317	19.9
101.05985	1.4
111.00773	0.7
113.02330	15.6
115.03935	0.5
115.14329	0.5
116.72219	0.4
119.03391	6.2
125.02323	3.0
131.03433	0.9
137.02379	0.7
143.03389	5.5
149.04443	1.0
151.03877	0.7
158.89050	0.4
161.04469	7.2
175.03792	0.5
179.05493	3.6
213.15269	0.5
237.10245	0.5
241.14882	0.5
270.62082	0.5
271.19104	2.9
285.03851	0.6
313.03683	2.6
313.20175	0.5
315.18173	1.6
317.01956	0.6
327.18268	2.0
343.17822	1.0
372.53076	0.5
397.22241	0.7
413.58572	0.5
415.23227	12.2
416.23892	1.3
433.24329	8.0
434.24878	1.0
475.09268	1.6
475.18225	0.6
476.09668	0.7
486.57083	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
59.01252	100.0
60.01600	1.1
61.98703	0.8
64.60689	0.6
69.03342	1.5
71.01254	21.1
71.59497	0.7
72.99174	1.6
73.02822	6.8
75.00755	1.5
83.01250	3.1
85.02823	7.0
85.20255	0.7
86.37294	0.6
87.00774	2.4
89.02324	13.0
93.03345	1.2
95.01279	1.6
95.04886	0.7
95.99902	0.7
96.95872	0.7
97.02856	1.0
97.06511	0.9
99.00783	2.8
99.04382	0.7
101.02328	13.1
101.95938	0.7
108.02064	1.4
109.02825	1.2
109.06478	1.5
111.04459	0.6
113.02336	8.6
113.03076	0.9
119.03387	4.3
121.02863	1.5
125.02354	1.5
131.03450	0.9
134.03659	0.7
137.02356	1.5
143.03429	2.1
149.02338	0.9
152.01035	1.3
159.02971	1.7
160.01616	1.0
161.04463	7.7
164.04665	0.7
165.04283	0.6
167.10733	1.8
175.00267	0.8
179.05647	2.5
183.13870	2.8
190.02716	1.4
205.05138	1.4
207.85320	0.6
209.07185	1.0
209.11739	0.8
235.17073	2.6
238.34387	0.6
243.35124	0.7
253.18190	1.6
271.09723	0.8
271.19153	3.4
277.14447	1.0
285.03992	1.3
309.16382	0.8
312.02661	0.6
313.03726	1.7
313.07156	1.1
315.17664	0.6
359.96265	0.7
372.13580	1.3
415.23477	3.3
416.12759	1.3
433.24417	3.5
475.25729	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	475.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90205	8.9
52.04842	9.9
59.01243	50.3
70.96369	19.6
78.95776	11.6
80.35850	9.3
86.05479	8.4
88.12033	9.3
155.44568	9.5
186.02638	9.0
197.02170	16.0
207.30003	9.6
216.78215	10.9
277.21759	98.7
291.00119	11.2
383.22083	11.5
401.23199	29.5
475.27164	100.0
475.33224	17.5
476.27667	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	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.2
57.03318	1.9
58.00481	0.6
59.01248	100.0
60.01578	1.2
66.34156	0.4
69.03316	3.0
70.46647	1.4
71.01250	24.1
72.99189	1.2
73.02816	15.1
75.00743	0.8
81.10280	0.4
83.01255	5.5
83.04895	0.4
85.02827	6.3
87.00757	2.1
87.04388	3.3
89.02309	13.1
93.03297	0.7
95.01264	1.6
97.02834	1.2
98.20534	0.4
99.00788	2.1
99.04387	0.9
101.02318	20.6
101.05923	1.0
102.02688	0.6
113.02328	11.9
117.03354	0.8
119.03385	5.1
119.04940	1.9
119.91317	0.4
121.02811	0.9
125.02355	1.9
131.03401	0.9
143.03395	2.3
145.02844	4.5
149.04509	1.4
150.23210	0.4
151.00262	0.6
151.03944	0.9
152.01094	0.5
155.03395	0.7
159.03043	0.5
159.10161	4.2
161.04463	7.9
163.03958	0.8
173.04512	0.6
175.03964	0.5
179.05542	3.0
181.12262	1.0
183.10168	0.5
185.00906	1.9
187.01309	0.9
191.05539	0.7
201.14932	1.4
221.06538	0.7
227.03545	0.7
255.03009	1.2
256.84500	0.5
264.88696	0.4
271.19058	3.0
303.14517	5.3
307.08228	1.0
313.03885	0.7
313.07248	1.8
321.15533	2.5
327.18188	2.3
343.08722	0.6
345.19092	4.1
363.20450	1.3
415.23462	7.1
416.23932	0.7
431.13760	0.6
433.24417	10.2
433.29993	0.7
434.24954	0.9
475.12387	0.9
475.18338	2.6
475.25064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72837	0.5
53.32495	0.4
55.01764	1.3
57.03321	4.3
58.00480	1.2
59.01252	100.0
60.01589	1.0
67.01755	1.0
68.99699	1.4
69.03329	1.9
70.37696	0.5
71.01254	31.3
71.04893	0.9
72.99185	5.4
73.02821	9.0
75.00748	13.2
81.03329	0.8
83.01260	2.9
83.04896	0.6
84.02045	0.5
85.02825	25.5
86.03157	0.6
87.00748	7.7
87.04408	0.9
89.02312	13.4
93.03368	1.9
95.01260	6.4
95.04913	0.9
97.02839	1.5
99.00752	10.0
99.04405	1.8
99.70655	0.4
101.02325	12.5
101.05973	1.1
103.00258	2.1
103.20231	0.5
105.03349	0.7
108.02071	4.0
109.02843	2.4
109.06411	0.4
111.00777	1.5
113.02331	31.5
115.00278	2.0
117.01833	2.5
119.03378	5.0
119.04936	0.7
121.02861	0.6
123.04437	1.2
125.02316	2.9
125.41154	0.5
127.03868	1.1
129.01857	1.4
131.03441	1.3
133.02843	4.6
135.04425	1.5
137.02338	1.9
139.00281	0.7
139.11191	11.4
143.03406	2.8
145.02876	0.7
146.98471	0.5
149.02371	1.3
149.04527	0.5
151.03970	0.6
152.01060	6.3
153.01793	1.8
157.01404	1.1
160.01559	0.5
161.02374	0.6
161.04492	4.6
161.05736	0.9
163.11217	1.6
173.04474	1.4
175.02426	2.8
175.03828	0.8
177.01839	2.0
179.05582	2.7
179.06923	0.5
181.12257	7.5
183.10193	9.8
184.10619	0.6
190.02721	0.7
191.05524	2.2
193.03470	1.8
193.05003	0.5
193.29041	0.4
205.07173	0.7
219.03264	0.4
221.11711	0.7
225.11282	5.7
227.07108	0.7
231.05174	1.0
243.12347	1.4
249.06104	8.0
250.06479	0.6
253.04935	1.2
265.18100	0.6
267.07217	0.6
269.04321	0.7
271.06146	1.3
271.19199	1.8
285.03958	1.0
297.06168	0.7
315.17896	0.6
327.17923	0.7
337.19962	0.5
339.07288	1.1
397.22238	0.6
401.25452	0.5
413.18185	1.5
415.15714	0.5
415.17310	0.6
415.23370	7.1
416.23553	0.8
424.91534	0.5
431.09897	0.7
431.19162	5.1
433.17953	0.8
433.24420	4.7
457.17175	7.9
458.17300	0.8
475.08151	2.5
475.09726	2.5
475.18167	87.2
476.08801	0.8
476.18506	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	475.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
56.54997	0.5
57.03345	1.0
58.00476	0.6
59.01244	25.9
60.01588	0.8
61.01694	0.5
65.54948	0.5
68.12848	0.4
69.03329	0.6
71.01247	10.1
71.58871	0.9
72.99174	0.7
73.02814	2.7
75.00748	0.7
81.03332	0.5
83.01248	1.4
83.04930	0.5
84.26476	0.4
85.02821	5.3
87.00745	1.3
89.02312	4.8
91.01768	1.9
93.03333	2.3
99.00741	1.3
101.02322	6.1
107.04918	1.1
108.02036	0.7
109.02859	1.1
113.02314	3.9
119.01260	6.2
119.03395	1.6
119.04895	1.4
121.02840	4.0
123.04374	1.4
125.02316	0.9
133.02863	0.6
134.03618	2.8
135.04422	4.3
137.02309	2.1
147.00781	5.0
147.04462	0.7
149.02336	17.5
150.02876	0.5
151.00284	0.5
152.01053	1.5
153.01819	0.6
161.04427	1.8
162.03174	1.1
162.04672	0.5
163.03914	5.0
164.04695	19.4
165.01828	2.5
165.12753	1.1
167.03410	0.8
168.00612	0.6
173.04480	1.2
175.00278	45.6
176.00696	1.5
177.01823	0.6
177.12758	1.4
179.05614	1.0
179.07033	4.5
183.13753	2.4
189.01830	1.2
190.02631	100.0
191.03012	4.9
191.05426	2.6
192.05920	0.5
193.01389	1.0
195.13829	11.3
203.10678	1.0
205.04987	94.2
206.05330	5.1
207.02925	1.3
208.03656	1.1
209.04448	0.8
209.11754	1.1
214.90526	0.5
223.06053	32.9
224.06427	1.6
227.12755	3.7
239.12827	1.2
253.09213	1.0
269.04480	0.6
271.09735	5.5
285.03983	0.6
415.23328	1.2
445.11099	1.0
460.13699	2.9
471.51303	0.5
475.16010	60.6
475.21915	7.3
476.16360	7.4
476.22345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
57.05853	0.3
59.01239	2.1
65.00188	0.8
70.98160	0.6
70.98487	0.6
71.01262	0.9
72.99163	1.1
81.03328	5.1
83.01246	2.7
85.02809	0.7
88.95585	0.4
90.29593	0.4
91.01767	1.2
95.04913	1.0
97.02817	0.6
99.04416	0.7
107.01276	0.5
109.02834	0.9
116.19897	0.4
117.03332	0.5
123.04405	32.5
124.04737	1.1
125.02328	5.9
132.24606	0.4
135.00771	4.3
149.02365	1.2
149.06003	0.9
150.06384	0.5
151.00269	2.3
153.01926	1.9
161.02428	0.5
163.03883	0.5
165.05511	0.4
167.03412	100.0
168.03784	2.8
191.03423	0.9
195.06493	0.7
209.04454	0.5
260.38348	0.4
283.06180	1.8
311.05640	1.5
337.03516	1.2
387.60394	0.4
475.08749	1.5
475.14612	7.4
476.14957	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92360	0.2
55.72893	0.2
59.01253	1.5
69.53297	1.8
72.41959	0.2
74.66786	0.3
78.95773	100.0
96.96838	8.1
97.06468	0.3
98.20541	0.3
103.25202	0.2
125.09683	0.4
129.10886	0.3
129.98491	0.3
140.01054	0.5
152.99486	16.4
162.83784	0.8
171.00545	17.4
172.00961	0.3
176.83946	0.2
214.04733	0.3
217.00252	0.6
373.23889	0.3
383.21957	0.4
400.22705	1.5
401.23108	0.7
457.25723	0.7
474.26224	55.3
475.26617	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16657	0.3
56.75961	0.3
59.01237	0.5
62.01600	0.2
62.96262	0.4
71.06037	0.5
78.95770	100.0
81.35803	0.3
88.59980	0.3
96.96830	8.8
128.64261	0.3
140.01056	1.0
140.15404	0.3
150.97980	0.3
152.99477	14.5
153.99815	0.3
171.00545	16.7
172.00899	0.3
214.04742	0.6
277.21707	13.3
278.22079	1.1
400.22620	1.5
401.23010	0.5
456.43500	0.3
457.25809	1.8
474.26208	57.1
475.26627	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	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27826	0.2
55.86000	0.2
57.03316	0.4
58.00436	0.2
59.01249	100.0
60.01580	0.9
61.98696	0.6
68.15189	0.2
69.03333	0.3
69.31672	1.8
71.01253	2.8
72.99165	0.4
73.02811	2.0
74.82199	0.2
75.00750	0.3
77.03835	0.2
78.30054	0.2
79.60963	0.2
79.78226	0.2
83.01274	0.8
85.02818	1.1
87.00751	0.5
89.02328	1.2
93.03351	0.7
95.01283	0.3
96.95908	0.5
97.02868	0.3
98.20572	0.4
99.00768	0.6
101.02323	2.1
107.01244	0.2
108.02078	0.2
109.02839	0.4
111.04418	0.3
113.02322	1.8
118.59093	0.2
119.03371	0.4
119.04970	0.2
121.02865	0.3
125.02348	0.6
129.01831	0.2
130.08678	0.3
131.03352	0.2
133.02834	0.2
135.04381	1.0
137.02397	0.6
142.01614	0.3
143.03471	0.4
145.02841	0.4
149.02330	0.3
149.04486	0.3
152.01038	0.3
153.01804	0.3
160.01593	0.3
161.02328	0.5
161.04520	0.7
165.05547	0.3
165.12881	0.2
168.00632	0.3
173.04549	0.5
175.03958	0.6
177.05547	0.2
178.96564	0.2
179.03465	0.3
185.00920	0.2
191.05620	0.5
193.05080	0.2
209.04462	0.3
211.03883	0.4
239.03510	0.5
240.04332	0.4
251.16423	0.2
267.07193	0.4
268.03741	6.6
269.04425	1.5
283.06131	0.5
285.04105	1.1
286.04465	0.2
311.05658	0.5
347.95435	0.2
413.21823	0.3
431.22827	0.2
448.40732	0.2
473.10834	5.0
473.17346	0.3
473.27789	0.6
474.11328	0.7
479.79587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.6
59.01248	100.0
60.01583	1.3
69.03329	1.3
69.26933	0.7
69.27331	3.3
71.01254	4.1
72.99187	0.8
73.02813	2.4
74.88670	0.3
75.00752	0.9
83.01264	1.4
83.60344	0.3
85.02811	2.4
85.03183	0.2
87.00761	1.1
87.04352	0.4
89.02319	1.8
93.03339	0.6
95.01283	0.6
97.02802	0.4
98.20576	0.5
99.00772	0.8
101.02309	2.6
104.80861	0.3
113.02312	3.0
117.03349	0.3
119.03424	0.4
122.59103	0.3
125.02385	0.8
129.01781	0.4
135.04391	0.5
135.08159	0.3
137.02350	1.1
137.05966	0.3
141.04068	0.3
151.00291	0.6
161.04498	1.1
173.04454	0.4
179.10704	0.5
185.00899	0.7
191.05542	0.7
205.05116	0.4
211.04024	0.5
239.03546	0.7
240.04185	0.7
249.06192	0.9
267.07199	2.1
268.03726	12.7
269.04428	4.1
296.05920	0.3
311.05701	0.6
355.95737	0.3
413.09195	0.3
413.21857	0.6
429.17728	0.7
473.10803	8.6
473.16919	1.3
474.11862	1.0
475.98148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.2
59.01254	100.0
60.01585	0.9
67.16973	0.2
69.28998	2.3
71.01251	1.5
72.99212	0.4
73.02831	0.6
75.00751	0.3
79.78411	0.2
83.01302	0.3
85.02840	0.8
87.00764	0.3
89.02326	0.2
96.95908	0.8
96.96878	0.3
98.19808	0.4
99.00766	0.5
101.02309	0.4
113.02362	1.1
114.23731	0.2
117.36366	0.2
125.02356	0.3
137.09737	0.2
139.11176	0.2
151.00269	0.3
154.01421	0.2
161.02347	0.3
161.04559	0.4
171.15309	0.2
183.13858	0.4
209.15462	0.6
227.17780	0.2
249.06134	0.6
267.07239	0.5
268.03860	0.4
269.04556	0.3
284.03372	0.6
285.04074	2.1
286.04324	0.2
322.84573	0.2
371.20795	0.6
413.21893	1.2
447.09604	0.4
473.10553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78478	1.2
50.86569	1.5
50.95433	1.1
59.01246	100.0
60.04318	1.2
69.31522	2.8
69.31923	9.4
78.95769	7.3
85.12229	1.2
96.34013	1.4
105.89270	1.1
162.83781	1.8
171.00557	1.4
174.99139	2.3
217.00221	10.6
243.83278	1.2
268.03720	2.5
315.11142	1.8
361.88058	1.3
473.10812	2.7
473.25513	1.8
474.26236	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88025	0.4
51.42743	0.4
57.03325	0.9
58.00451	0.5
59.01247	100.0
60.01584	0.8
69.03334	1.3
71.01250	8.1
71.11880	0.7
72.99191	1.2
73.02810	2.7
75.00737	1.6
83.01270	1.4
85.02825	3.9
87.00768	1.2
87.04403	0.8
89.02318	2.1
93.03356	1.2
95.01268	1.1
96.95867	0.7
97.02833	0.7
99.00764	2.2
101.02318	5.0
107.01278	0.5
109.02857	0.7
110.05977	0.8
113.02323	4.1
116.37486	0.4
119.03390	0.8
121.02905	0.5
122.05988	2.7
124.01546	1.3
125.02324	2.7
126.02660	0.5
129.01817	0.4
133.02858	3.4
134.03603	0.6
135.04399	2.7
137.02359	1.0
138.04378	0.5
145.02859	0.8
149.99448	2.0
151.00266	1.0
161.02339	6.5
161.04483	1.7
165.12697	0.5
168.00522	3.3
169.01224	0.8
174.01935	0.7
175.03934	0.8
179.03455	1.1
185.00766	0.5
191.05606	0.7
210.73062	0.4
215.89098	0.5
239.03442	0.5
249.06218	0.8
267.07260	1.3
268.03693	8.1
269.04358	2.8
285.04007	1.5
299.10165	0.5
299.43619	0.5
341.60367	0.6
366.11761	0.7
371.21057	0.5
396.13141	0.8
397.13425	0.6
397.17905	0.8
401.63031	0.7
402.12885	2.6
402.63174	0.9
411.13467	1.3
411.63071	0.5
413.21863	1.4
431.22946	1.0
447.65350	0.9
448.15103	0.6
457.66278	1.1
463.66492	1.1
472.67007	0.7
473.11115	5.6
473.24078	8.4
473.30130	0.6
474.11392	0.5
474.24313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62465	0.9
55.01746	1.6
55.73177	1.0
57.03325	7.3
58.42223	0.8
59.01247	22.7
60.25745	0.9
67.01764	4.8
68.99686	2.1
69.03308	5.1
71.01247	15.9
72.99179	2.8
73.02829	2.7
75.00758	1.2
75.86965	0.9
81.03325	1.8
83.01249	6.5
83.04901	1.1
85.02816	37.6
85.99963	1.1
87.00743	7.7
89.02312	2.1
95.01257	9.6
95.04859	2.2
97.02795	2.6
97.06461	2.8
99.00761	2.9
99.04400	1.6
100.01559	1.2
101.02332	4.1
109.02799	1.1
109.06458	1.9
111.00753	7.5
111.08035	9.6
112.01539	1.7
113.02325	35.4
121.02814	1.3
127.03868	4.8
129.01816	2.3
134.03606	1.0
139.00249	4.4
143.03394	1.0
157.01300	2.2
160.01558	1.3
165.12746	63.7
166.13098	2.6
168.00609	1.3
175.03946	1.7
177.54803	1.0
181.12227	1.9
183.13809	63.4
184.14136	3.3
187.06059	5.8
189.04005	2.0
191.10689	2.5
203.87460	1.1
209.11726	16.1
217.00218	3.2
227.12810	11.3
263.07724	5.8
268.03708	2.5
283.15524	1.5
301.16492	1.6
305.13763	1.3
311.22250	3.3
334.26270	1.4
355.24826	1.0
379.17737	2.9
397.18542	5.6
473.20258	100.0
473.26950	6.2
474.20578	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	473.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.4
65.00189	0.9
69.03311	0.6
70.44353	0.2
71.01241	1.3
73.02807	0.4
75.00754	0.2
77.03831	3.5
79.01765	1.9
83.01241	0.5
85.02837	0.4
87.00765	0.3
89.02317	0.6
89.03855	0.3
92.99673	0.2
93.03328	3.3
94.81218	0.2
95.01249	0.3
95.04900	0.2
97.02814	0.4
101.02316	0.7
104.39277	0.2
105.03326	1.0
107.01266	0.9
109.02837	0.6
111.00790	0.2
113.02351	0.5
113.93369	0.2
117.03344	17.5
118.03672	0.7
119.04926	2.1
121.02841	3.9
123.04402	0.6
125.02326	0.9
127.03725	0.2
131.01306	0.2
133.02837	1.2
135.00754	0.6
135.04411	4.3
136.01541	0.3
137.02303	1.1
139.03844	0.2
145.02852	0.8
147.04390	1.0
148.01559	0.6
149.02333	2.9
150.02805	0.2
151.00275	0.5
153.05473	0.2
159.04427	3.3
160.04817	0.3
161.02348	7.9
162.02951	0.3
163.00273	1.8
163.03926	5.2
164.00974	0.4
165.01791	1.1
169.06459	0.6
171.04440	0.3
173.02339	0.9
173.04457	0.4
173.05899	0.3
175.00270	0.5
175.03923	1.0
176.29662	0.2
177.01860	0.9
179.03450	1.0
181.06506	0.3
182.03621	0.3
183.04407	0.8
183.08044	0.5
185.00853	0.4
185.02336	0.8
185.05908	0.3
189.01855	0.6
189.05351	0.2
190.02655	0.4
191.03416	2.1
191.05243	0.4
192.03632	0.2
193.01366	1.2
195.04321	0.4
195.08084	0.4
196.05199	0.7
197.05971	1.4
201.05373	0.2
203.03435	1.7
205.01436	0.4
209.06010	0.4
210.06735	0.3
211.03970	0.3
211.07590	1.2
213.05589	0.8
215.03426	0.2
215.07103	1.0
222.06725	0.3
223.07542	0.3
223.13580	0.2
224.04723	0.8
225.05531	0.9
227.03481	0.4
227.07141	0.2
229.01378	0.5
229.59290	0.2
237.05469	0.8
238.06361	0.6
239.03433	0.5
239.07077	1.9
240.04439	0.4
240.07413	0.4
241.05003	0.6
251.07085	0.4
253.05067	1.2
254.05951	0.3
255.06584	0.5
255.10197	0.3
265.05014	0.3
267.03027	0.4
267.06720	0.6
268.03723	4.6
269.04520	6.7
270.04861	0.4
279.06439	0.2
281.01422	0.4
281.04544	7.7
282.05276	4.9
283.06100	52.2
284.06421	5.0
293.04538	3.5
294.04993	0.5
295.06104	4.4
296.06454	0.4
297.04126	0.3
307.06174	0.2
309.04092	0.9
311.05588	100.0
312.05927	9.9
314.04355	1.1
320.82779	0.2
321.04065	0.5
323.05576	8.6
324.05930	1.0
325.07098	0.3
335.05673	0.4
339.05215	0.4
341.06631	14.5
342.06873	1.3
353.06741	1.7
369.19275	0.3
377.06659	0.6
387.20230	0.4
395.07648	0.5
413.02890	0.4
413.08722	19.1
414.09116	1.8
473.10849	34.5
474.11215	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	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	5.1
57.03302	1.6
59.01249	35.1
67.01733	1.0
69.03323	100.0
70.03673	1.2
71.01253	12.4
71.59085	1.9
72.99172	3.3
73.02795	3.8
75.00741	4.2
79.01762	1.4
83.01263	1.3
85.02824	8.4
87.00725	1.9
87.04386	1.4
89.02322	5.0
93.03307	1.3
95.01238	3.5
97.02825	22.4
99.00753	29.5
101.02310	5.0
108.41914	0.9
111.00751	1.3
111.06476	0.9
113.02310	8.0
115.00233	1.1
117.03341	2.1
119.03386	1.2
128.20876	1.0
135.04436	2.1
137.02283	1.0
137.05989	1.3
141.01819	8.0
143.03413	1.3
145.02866	1.3
149.02348	2.0
151.00258	3.0
161.02339	3.0
161.04486	1.7
173.04475	1.8
175.00269	1.3
175.03821	1.1
179.03447	1.2
179.10664	3.4
180.04114	1.2
185.00830	89.7
186.01151	3.3
191.05577	2.0
227.12784	3.3
239.02570	1.0
249.06148	4.1
251.16335	1.3
255.91933	1.1
267.07062	1.9
267.11743	1.0
268.03781	1.3
269.04425	2.7
269.12872	1.8
281.04242	1.5
283.06042	7.3
286.12708	1.6
287.14954	13.1
287.18591	4.6
295.06113	1.4
311.05536	14.9
323.05688	1.7
341.06601	3.2
353.06604	2.4
413.08682	2.4
437.18967	4.2
455.20184	1.9
473.10513	5.0
473.16660	13.5
473.21249	4.0
474.16510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.7
57.03316	2.5
59.01250	32.4
67.01769	1.6
68.99705	1.7
69.03350	1.9
69.24214	3.0
69.24620	12.7
71.01252	22.6
72.99197	5.8
73.02823	4.4
75.00737	9.4
78.95773	1.3
81.03353	1.3
83.01272	1.8
85.02814	17.2
86.02357	4.2
87.00754	38.5
88.00272	18.8
88.01080	1.6
89.02310	13.6
93.03323	5.5
95.01265	4.6
99.00751	5.9
101.02328	9.4
103.00231	2.5
109.02856	2.7
111.00767	1.6
113.02317	18.8
117.01833	2.2
117.03365	3.4
119.03385	2.3
121.02845	5.6
122.88776	1.2
123.04418	3.8
129.01828	1.3
132.02049	19.5
134.03625	24.4
135.02922	2.7
135.04393	2.3
135.06566	1.9
143.03445	1.7
147.04451	1.9
149.02347	30.5
149.05965	3.6
150.03107	2.4
151.03932	1.5
160.01566	71.2
161.02017	2.5
161.04463	2.1
163.03947	1.5
163.11241	2.7
164.03439	1.5
164.04697	16.7
165.01823	1.5
165.05460	9.9
173.04456	3.5
175.00430	8.8
175.03917	100.0
176.04291	4.3
179.03455	1.6
179.05531	1.4
179.07014	2.8
190.02611	20.0
191.03958	1.1
191.05499	6.7
193.04985	53.2
194.05302	2.1
201.11134	1.4
205.04979	25.6
205.06833	2.5
206.05466	1.4
209.04480	2.0
209.11858	1.9
220.35765	1.1
223.04114	1.5
223.06070	19.6
235.06129	1.8
249.06107	13.7
267.07178	35.3
268.07507	2.0
269.04456	1.5
300.93707	1.3
353.06714	1.5
429.17841	2.6
455.11279	1.6
472.73611	1.4
473.12247	14.5
473.16895	21.7
474.13013	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	473.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
57.32527	1.0
58.00881	0.8
59.01253	17.1
63.11170	0.7
69.03344	2.0
69.58353	3.7
69.58783	2.7
71.01253	10.5
72.99189	1.8
73.02827	4.2
75.00761	2.5
83.01281	1.7
85.02827	6.7
87.00748	2.1
89.02316	6.2
91.01747	1.2
93.03357	3.7
95.01263	1.7
96.95911	1.4
99.00765	1.9
101.02323	8.1
102.62366	0.9
105.05449	2.3
108.02098	1.0
111.00781	1.1
113.02319	6.0
117.03426	1.1
119.01267	4.7
119.03402	1.9
121.02882	2.6
123.04450	1.4
125.02386	1.1
132.02075	4.7
134.03616	7.7
135.02908	2.1
135.04433	1.9
137.02373	1.6
137.05994	1.1
145.56815	0.8
147.00813	3.1
147.04491	1.4
149.02342	16.5
149.06044	1.2
152.01022	1.2
157.44200	0.8
160.01570	14.4
161.02367	1.8
161.04559	1.4
163.03975	1.6
164.04691	18.3
164.05930	1.3
165.01927	2.0
165.05487	3.1
173.04468	1.7
174.98792	1.7
175.00299	35.5
175.03889	18.2
175.05261	1.5
176.00714	1.5
176.04645	1.0
177.05504	1.3
179.07159	3.4
185.00894	1.0
189.01918	0.8
190.02652	92.5
191.03128	4.5
191.05519	2.6
193.05023	10.1
201.11354	1.1
205.05016	100.0
206.05360	4.2
223.06075	30.7
224.06445	1.9
249.06165	2.2
267.07278	5.1
267.10965	1.0
297.07639	1.3
353.06839	3.6
383.07956	1.0
473.16882	41.8
474.17099	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.7
58.00496	0.9
59.00952	1.0
59.01249	18.6
62.43036	0.6
67.01772	1.0
68.99701	1.6
69.03336	1.7
69.70100	1.2
69.70499	3.5
71.01248	22.4
72.99168	5.1
73.02830	2.3
75.00742	14.5
83.01268	1.8
85.02821	21.9
87.00747	9.5
89.02315	7.7
91.03890	0.7
91.05447	0.6
91.84911	0.5
93.03341	1.1
95.01242	5.3
98.20509	1.3
99.00755	11.0
101.02334	2.1
103.00275	2.4
109.02876	1.1
111.00790	1.0
113.02325	29.7
115.00256	2.1
117.01833	3.1
117.03413	0.7
119.04944	0.7
121.02824	5.7
129.01848	2.3
131.03387	1.0
132.02090	1.6
133.04962	1.0
134.03653	2.7
135.04489	0.9
137.05991	1.0
139.00269	0.6
147.03342	0.6
147.04424	3.7
149.02350	43.5
150.03104	3.3
151.03943	1.1
157.01318	0.9
160.01620	5.4
162.03220	0.5
163.03909	1.5
163.11180	1.3
164.04701	36.7
165.01787	0.9
165.05310	2.3
175.00339	1.3
175.02406	2.2
175.03946	8.1
176.01077	1.6
177.05467	0.7
179.03502	0.9
179.07019	3.6
190.02658	4.3
191.03433	2.7
191.05423	1.4
193.04962	6.3
195.06393	0.8
198.39272	0.7
205.05040	6.3
207.04990	1.3
207.59831	0.6
208.03693	0.7
209.04459	2.6
218.14133	0.6
221.04683	0.7
223.06065	29.6
224.06422	1.9
231.04929	1.4
249.06128	35.1
250.06610	1.5
267.07202	100.0
268.07666	3.5
282.07349	1.8
283.08344	1.0
286.57443	0.6
297.10126	3.5
353.06500	2.8
411.13199	1.1
413.11169	0.8
426.92477	0.6
429.17697	1.7
429.64185	0.6
441.10333	0.9
455.11884	4.7
473.12845	63.8
474.13232	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	471.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	5.9
60.10760	3.7
73.10784	3.6
171.81300	3.3
229.32370	3.9
236.37511	3.5
277.21732	100.0
278.22098	8.9
292.42795	4.1
349.27087	3.7
471.34778	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	471.3474
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.77751	0.3
59.01240	1.4
70.72920	0.4
70.73240	0.6
71.01210	0.3
73.64197	0.3
74.06119	0.3
81.31837	0.3
90.80653	0.3
93.26438	0.3
98.66663	0.3
234.78033	0.3
249.60504	0.3
305.84940	0.3
391.30136	0.8
407.32895	0.5
423.32712	0.3
471.34744	100.0
472.35077	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	473.1086
Annotation	Germanaism B
Peak:m/z	Relative Intensity
58.67161	0.3
59.01247	5.7
65.00186	0.6
69.49511	2.7
70.08897	0.3
71.01248	0.9
77.03834	3.6
79.01760	1.6
85.02843	0.8
89.02337	0.3
91.01765	0.5
93.03337	3.5
95.04937	0.4
101.02313	0.4
105.03342	1.1
107.01230	0.8
109.02843	0.5
113.02315	0.9
117.03343	18.0
118.03691	0.5
119.04909	2.2
121.02844	3.9
123.04466	0.4
125.02335	0.7
133.02821	0.9
135.00807	0.5
135.04398	4.3
137.02364	1.0
143.04884	0.4
145.02873	0.6
147.04411	0.9
148.01563	0.5
149.02350	3.5
151.00284	0.4
158.03726	0.3
159.04407	3.5
161.02351	7.8
162.02908	0.4
163.00282	1.6
163.03920	6.3
165.01810	1.0
169.06459	0.7
171.08127	0.4
173.02364	1.0
173.05995	0.4
175.03917	1.0
177.01820	0.9
179.03397	1.2
183.04517	0.5
185.00894	0.4
185.02370	1.0
189.01823	0.4
191.03398	2.3
193.01326	1.0
196.05222	0.8
197.05948	1.1
203.03517	2.4
209.06015	1.0
211.07600	1.1
213.05573	0.5
215.07022	0.9
224.04747	1.1
225.05486	1.3
237.05498	0.6
238.06123	0.4
239.07085	2.2
240.04274	0.8
241.05074	0.4
253.05061	1.0
268.03766	5.0
269.04520	6.3
270.04874	0.5
279.06595	0.4
281.04578	8.1
282.05301	4.6
283.06094	56.1
284.06384	4.1
293.04553	3.6
295.06155	3.6
309.04086	0.8
311.05585	100.0
312.05911	7.2
314.04279	1.4
321.03934	0.6
323.05576	9.9
323.83557	0.4
324.06018	0.8
325.07025	0.3
339.04929	0.4
341.06625	15.5
342.06885	1.3
353.06714	1.2
377.06534	0.5
413.08719	20.0
414.08920	1.7
473.10846	32.8
474.11313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01573	0.9
69.03339	1.0
71.01252	4.3
73.02814	4.8
80.61378	0.5
83.01249	2.3
85.02837	0.9
87.00760	0.5
89.02335	1.7
93.03333	0.4
99.00770	0.5
101.02322	6.3
108.02063	0.5
113.02333	2.2
119.03390	0.7
131.03413	1.0
137.09680	0.5
138.68027	0.4
141.04070	0.5
141.45743	0.5
161.04483	1.0
185.00891	1.0
208.77956	0.5
284.02945	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57136	0.2
59.01249	100.0
60.01577	0.9
60.49352	0.2
64.70570	0.2
69.03318	0.3
71.01254	1.8
71.59367	0.2
72.99177	0.2
73.02816	1.3
75.00742	0.2
76.68836	0.2
83.01276	0.6
85.02385	0.2
85.02802	0.9
87.00740	0.2
89.02326	0.6
95.01287	0.3
99.00733	0.4
101.02338	1.7
109.02871	0.3
113.02336	1.4
119.03428	0.4
121.02898	0.3
125.02321	0.5
131.03349	0.3
147.18472	0.2
149.04503	0.3
149.99457	0.2
161.04472	0.5
163.11255	0.2
200.86145	0.2
234.77983	0.2
288.30475	0.2
307.09000	0.2
309.20682	0.2
343.09982	0.2
406.06232	0.2
453.52954	0.2
471.18896	0.7
471.26123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	5.6
58.74731	2.5
59.01247	100.0
61.69994	2.2
61.98708	3.6
69.03320	5.2
71.01257	18.0
71.04890	3.5
71.58633	2.7
72.99172	3.3
73.02821	9.0
75.00716	4.2
83.01250	3.8
85.02806	14.4
87.00736	4.9
87.22733	2.2
89.02318	7.8
93.03333	6.2
95.01263	5.7
99.00744	9.5
101.02334	11.1
108.02042	5.2
109.02820	7.5
113.02337	9.4
119.04854	3.7
123.00783	2.9
124.01636	5.2
125.02338	13.9
125.22777	2.6
135.04362	2.6
135.08109	2.4
137.02292	4.1
139.48019	2.3
140.59074	2.2
149.99475	10.2
151.00211	2.5
152.01126	5.2
152.99506	2.5
153.01903	3.2
161.04417	3.2
163.03905	2.6
168.00586	13.4
175.03931	4.6
177.01898	2.6
177.09192	2.9
179.05463	2.3
191.05565	3.2
202.74158	2.5
207.13885	3.4
211.13321	7.7
249.06096	6.4
267.07175	6.1
268.07797	3.1
285.04150	4.9
299.09003	6.6
299.59384	3.2
341.09830	3.1
384.60480	2.9
412.14816	3.0
427.26978	7.6
440.14093	5.8
440.64209	4.2
446.13852	10.5
446.64078	5.6
455.14462	5.7
471.20361	11.9
471.26498	4.0
494.69077	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	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.8
58.00459	0.8
59.01247	20.6
59.01527	1.1
61.67156	0.7
67.56121	0.8
69.03314	5.6
71.01252	19.2
72.99197	2.1
73.02829	2.8
75.00724	0.8
78.95795	1.1
78.98489	1.2
79.95650	1.2
80.96391	11.3
82.95297	1.5
83.01267	1.9
83.02376	2.6
85.02816	7.8
87.00761	3.1
89.02315	10.0
91.01766	1.1
93.03342	2.6
94.97981	2.9
95.01260	2.0
96.95927	1.1
96.96851	2.2
97.02835	2.8
99.00784	2.1
101.02314	9.0
102.02628	0.8
103.03895	1.4
109.02839	2.0
113.02326	10.7
117.03389	1.3
119.01271	2.8
119.03392	5.6
119.04931	0.9
121.02837	5.5
122.97469	1.0
123.00795	0.8
125.02348	2.2
129.01860	0.9
132.02112	0.9
133.02872	1.1
133.04977	1.2
134.03627	3.1
134.97507	1.1
135.04425	4.2
136.30270	0.8
137.02344	1.7
141.01804	1.7
147.00752	2.4
147.04425	1.8
148.01433	0.7
148.99100	1.5
149.02342	25.8
149.05934	1.3
150.02956	1.5
151.03961	1.1
152.01053	1.6
160.01576	3.0
161.02341	1.9
161.04495	1.5
162.03073	0.8
163.03915	4.6
164.04694	18.9
164.98563	1.6
165.01822	2.4
165.05373	2.3
171.18854	0.8
173.02452	0.9
173.04451	2.5
174.98761	1.2
175.00284	23.5
175.03922	3.8
176.00978	4.0
177.01865	1.6
177.05420	1.3
179.03444	1.0
179.07057	2.1
183.37766	0.7
185.00786	3.9
190.02637	57.8
191.03329	7.2
191.05280	1.5
192.72484	0.8
193.01376	2.4
193.04953	3.7
203.01892	1.7
203.06929	0.9
205.04993	100.0
206.05467	7.0
207.02948	1.7
208.03665	4.6
217.05017	1.7
221.08109	1.7
223.06064	27.5
224.06363	1.5
225.00710	3.1
225.57216	0.8
237.07675	1.5
247.06018	1.5
247.08322	1.4
265.06738	6.3
265.09454	13.6
285.17044	1.1
295.07959	0.9
295.10406	8.7
471.15134	39.3
472.15649	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	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.8
58.00459	0.8
59.01247	20.6
59.01527	1.1
61.67156	0.7
67.56121	0.8
69.03314	5.6
71.01252	19.2
72.99197	2.1
73.02829	2.8
75.00724	0.8
78.95795	1.1
78.98489	1.2
79.95650	1.2
80.96391	11.3
82.95297	1.5
83.01267	1.9
83.02376	2.6
85.02816	7.8
87.00761	3.1
89.02315	10.0
91.01766	1.1
93.03342	2.6
94.97981	2.9
95.01260	2.0
96.95927	1.1
96.96851	2.2
97.02835	2.8
99.00784	2.1
101.02314	9.0
102.02628	0.8
103.03895	1.4
109.02839	2.0
113.02326	10.7
117.03389	1.3
119.01271	2.8
119.03392	5.6
119.04931	0.9
121.02837	5.5
122.97469	1.0
123.00795	0.8
125.02348	2.2
129.01860	0.9
132.02112	0.9
133.02872	1.1
133.04977	1.2
134.03627	3.1
134.97507	1.1
135.04425	4.2
136.30270	0.8
137.02344	1.7
141.01804	1.7
147.00752	2.4
147.04425	1.8
148.01433	0.7
148.99100	1.5
149.02342	25.8
149.05934	1.3
150.02956	1.5
151.03961	1.1
152.01053	1.6
160.01576	3.0
161.02341	1.9
161.04495	1.5
162.03073	0.8
163.03915	4.6
164.04694	18.9
164.98563	1.6
165.01822	2.4
165.05373	2.3
171.18854	0.8
173.02452	0.9
173.04451	2.5
174.98761	1.2
175.00284	23.5
175.03922	3.8
176.00978	4.0
177.01865	1.6
177.05420	1.3
179.03444	1.0
179.07057	2.1
183.37766	0.7
185.00786	3.9
190.02637	57.8
191.03329	7.2
191.05280	1.5
192.72484	0.8
193.01376	2.4
193.04953	3.7
203.01892	1.7
203.06929	0.9
205.04993	100.0
206.05467	7.0
207.02948	1.7
208.03665	4.6
217.05017	1.7
221.08109	1.7
223.06064	27.5
224.06363	1.5
225.00710	3.1
225.57216	0.8
237.07675	1.5
247.06018	1.5
247.08322	1.4
265.06738	6.3
265.09454	13.6
285.17044	1.1
295.07959	0.9
295.10406	8.7
471.15134	39.3
472.15649	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	471.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95279	0.3
59.01244	0.9
63.97701	0.4
70.60283	0.5
70.60611	0.9
71.01257	1.0
85.02818	1.1
87.00735	0.6
89.02303	0.5
93.03333	1.5
98.85303	0.3
101.02310	0.6
102.22510	0.4
119.04914	100.0
120.05240	4.1
125.02299	0.4
126.47820	0.3
128.61443	0.4
139.03876	0.4
140.01219	0.4
159.04283	0.4
160.01540	0.9
163.03917	83.0
164.04254	3.3
173.04425	1.3
175.03944	1.5
177.01787	0.8
183.02815	0.5
191.05565	1.5
193.04984	0.4
217.05090	0.8
219.51550	0.4
471.15149	16.7
472.15268	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	469.3319
Annotation	Melianone
Peak:m/z	Relative Intensity
56.24622	0.5
59.01254	2.1
71.57938	0.7
125.02316	1.4
161.07814	0.5
169.01366	1.4
241.21678	2.9
280.11963	0.7
293.17456	0.7
322.22141	0.5
356.38367	0.5
364.89542	0.6
393.27783	3.2
407.29675	3.4
409.31094	2.4
423.32663	77.5
424.32965	9.1
425.34311	3.6
469.33185	100.0
470.33514	13.8
470.40219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1144
Annotation	Clofazimine
Peak:m/z	Relative Intensity
55.01757	0.7
57.03316	0.4
59.01249	23.7
63.38700	0.2
65.00189	0.5
65.03831	6.4
67.01757	3.2
68.99666	0.3
69.03317	0.6
71.01248	4.4
72.99188	1.9
73.02810	2.4
75.00738	0.5
81.03319	0.6
82.76651	0.2
83.01263	0.8
83.04880	0.2
85.02821	3.4
87.00765	0.9
89.02316	1.0
91.01765	18.3
91.05416	0.3
92.02096	0.5
93.03323	0.9
95.01263	1.4
95.04867	0.5
97.02824	1.1
99.00739	1.8
101.02331	1.6
105.03329	0.3
105.06989	0.2
107.01262	0.3
107.04890	0.9
108.02048	1.8
109.02831	100.0
110.03172	2.6
111.00778	0.3
111.04389	0.4
113.02326	6.0
115.00249	0.3
115.05397	0.2
116.66576	0.2
117.03335	0.3
119.03420	0.2
119.04941	1.1
121.01957	0.2
121.02832	4.6
122.21700	0.2
123.00784	0.2
123.04400	4.1
125.02334	1.7
127.03949	0.3
130.04147	0.4
131.03395	0.4
131.04939	0.9
133.02835	2.9
133.06470	0.6
134.03621	0.2
135.00769	33.8
135.04355	1.8
136.01036	0.9
137.02335	9.2
138.02646	0.3
139.03943	0.3
141.04106	0.2
143.03395	1.2
143.04926	0.8
145.02855	0.7
145.06462	0.7
146.03650	0.4
147.04420	4.4
148.01559	3.3
149.02351	2.2
149.05972	2.6
150.02977	0.2
150.06230	0.2
151.03905	2.4
153.01833	34.1
154.02211	1.2
158.03693	0.3
159.04428	1.3
161.02350	1.1
161.04625	0.3
161.05992	1.5
161.13307	0.2
162.03117	0.4
163.00250	0.2
163.03905	3.5
165.01801	0.5
165.05460	2.4
166.05826	0.2
167.03392	1.0
171.04408	0.4
173.02182	0.2
173.04530	0.3
173.05945	1.8
174.03122	0.7
175.03917	3.2
176.01167	0.2
176.04376	0.3
176.52922	0.2
176.96733	0.3
177.01855	3.7
177.05453	3.0
178.02452	0.4
179.03452	0.4
187.03922	1.9
187.11227	0.3
187.60820	0.2
189.01840	0.3
189.05508	1.7
190.02574	0.4
191.03429	1.5
191.05013	0.3
193.04990	0.7
199.03870	0.4
203.05408	0.3
205.04997	3.8
205.12196	0.7
207.06612	0.5
207.13919	0.2
217.04959	3.3
219.02975	0.4
223.06125	1.2
235.06087	0.5
245.06668	0.2
254.18449	0.2
277.07135	0.2
279.05478	0.2
295.08307	0.2
299.45660	0.2
309.13531	0.2
339.07233	2.9
339.91168	0.2
341.08810	0.4
367.10208	0.6
385.11349	6.3
386.11829	0.4
411.09491	0.3
427.12466	1.0
429.10370	0.8
471.11380	84.9
472.11734	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	469.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	13.2
57.81097	10.3
59.01253	100.0
61.98684	10.4
69.03314	26.3
69.38461	30.7
69.38880	77.9
71.01262	60.6
73.02831	14.8
75.00729	18.4
85.02806	75.0
87.00726	17.9
89.02328	21.2
93.03328	35.4
98.19849	25.2
99.00685	17.5
101.02301	25.9
103.81306	12.8
108.02024	17.8
109.02817	23.8
113.02337	31.4
113.99456	12.5
115.00240	12.9
123.04355	16.3
125.02391	14.4
125.04445	12.9
133.02791	13.3
134.03592	31.3
135.04445	17.2
137.02333	35.4
144.75648	9.9
145.02827	11.7
147.79874	12.3
152.01016	27.1
160.01523	16.0
163.03824	26.7
173.04413	33.3
174.04701	10.5
175.03867	27.1
178.02554	12.7
179.05551	13.3
185.10139	11.9
191.05463	12.0
193.04950	15.8
203.03702	10.9
205.05049	21.8
287.56647	13.6
291.05420	11.4
363.04630	12.5
378.73657	12.2
433.23956	19.5
469.16641	39.8
469.22711	93.4
470.05179	14.4
470.22223	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	467.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	1.4
57.67358	0.9
59.00984	1.2
59.01251	14.2
61.98705	1.5
69.03310	1.7
70.98254	1.9
71.01246	6.4
72.99179	1.3
73.02800	2.1
75.00741	1.4
83.01208	0.9
85.02829	5.8
87.00762	1.4
89.02303	2.9
90.15167	0.9
91.01756	2.2
93.03321	4.3
96.95840	1.0
97.02852	1.0
99.00762	1.1
101.02312	3.5
107.04883	1.3
108.02002	0.9
109.02809	1.5
113.02306	2.7
117.03306	1.3
119.01234	5.7
119.03355	1.2
119.04836	1.2
121.02818	3.9
123.04442	1.0
134.03625	4.2
135.04391	5.6
137.02274	2.4
140.11314	0.9
147.00745	4.9
149.02338	14.7
151.07518	1.9
152.01054	2.0
153.01808	1.3
161.02327	1.4
162.03108	1.1
163.03894	7.6
164.04680	17.6
165.01830	3.4
166.02576	1.4
173.04417	1.6
173.09613	1.7
175.00285	38.0
175.03845	1.3
176.00659	2.1
179.07065	5.2
179.14354	1.0
189.01884	1.0
190.02632	100.0
191.03104	5.4
191.05536	1.2
205.04996	95.9
206.05377	4.4
207.02954	2.5
208.03746	1.2
209.04642	1.4
223.06061	32.8
224.06198	1.2
254.05664	2.9
269.05130	0.8
269.08102	5.1
285.03583	1.0
425.22720	1.0
439.08368	1.0
443.04364	1.1
452.16812	3.7
467.19113	85.5
468.19470	7.7
483.31094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11781	1.1
57.03325	44.0
58.00479	1.4
59.01250	43.8
67.01775	2.1
69.03314	2.6
71.01254	20.3
71.01617	2.1
71.58214	1.5
72.99186	5.2
73.02824	2.8
75.00769	2.7
79.95640	1.9
81.03334	2.6
83.01231	1.8
85.02821	34.8
87.00758	3.6
89.02318	11.3
93.03325	13.6
96.95845	1.5
99.00751	1.6
99.04393	22.0
101.02322	16.2
101.05972	1.3
109.02852	2.5
111.00764	2.4
111.04411	3.4
113.02319	3.1
119.04906	2.6
125.02345	14.4
127.03955	1.3
129.01849	4.6
133.01291	1.8
134.03651	2.2
135.04411	2.7
136.01559	1.7
137.02353	2.9
145.07617	7.2
147.02934	3.0
149.02325	1.5
151.00282	1.1
151.03931	1.5
152.01123	1.2
153.01878	1.2
159.04388	1.8
159.09169	1.2
160.01520	1.1
160.06334	18.0
160.07635	2.1
161.04446	10.5
161.07109	53.1
162.07469	1.8
163.03960	1.9
167.00041	1.1
172.05159	1.2
173.04468	19.1
173.05841	1.0
173.10750	2.8
175.08690	31.1
177.09132	1.2
179.03377	1.2
180.07414	1.5
185.10794	1.6
187.07520	4.7
187.08966	6.6
189.06619	100.0
190.06966	5.1
191.01897	9.2
191.05533	41.8
192.05855	1.8
193.66794	1.3
199.08710	1.6
200.04816	1.6
201.10303	10.0
202.06354	2.8
203.08202	40.8
203.12018	10.6
204.08498	2.2
205.08609	1.8
209.02922	20.6
213.09122	3.2
215.07077	1.7
219.52797	1.1
229.09807	26.6
230.10083	1.4
231.10213	10.8
231.85345	1.0
232.10722	1.2
245.76358	1.2
249.11296	1.8
253.93854	1.1
257.08209	5.2
263.11316	1.2
275.09296	9.6
277.11960	4.0
293.10300	6.0
305.11429	50.9
306.11758	4.5
323.12460	94.9
324.12793	8.0
365.13571	7.5
396.20715	1.2
399.64584	1.2
407.22784	1.6
449.14545	4.5
467.08575	4.6
467.15970	8.6
467.19867	1.5
467.21875	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	467.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32854	1.0
55.07890	1.2
57.03320	50.8
59.01249	30.0
61.69932	1.3
69.46120	8.8
71.01250	9.1
72.99196	1.5
73.02808	3.1
85.02824	4.3
89.02352	5.4
96.94143	1.1
97.02835	1.4
98.19902	3.9
99.04392	22.3
101.02329	14.1
119.03423	1.2
125.02331	9.5
134.03633	2.7
134.67743	1.1
145.07616	5.2
146.04697	1.1
160.06325	15.7
160.26494	1.0
161.04451	9.7
161.07101	49.5
162.07457	3.0
173.10696	2.5
175.08684	35.3
185.10658	2.7
187.08736	6.4
189.06609	93.1
190.06966	4.6
191.05554	3.8
201.10237	7.5
203.08182	41.7
203.11815	11.5
204.08533	2.2
209.02916	1.9
217.09779	1.4
229.09758	27.2
275.09348	1.5
277.11920	4.0
293.10309	3.8
305.11407	73.2
306.11755	5.0
323.12445	100.0
324.12640	6.7
365.13605	11.9
405.16742	2.4
467.16385	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.1
59.01251	4.7
61.94099	0.5
61.98693	1.6
68.36047	0.5
70.59178	0.5
71.01251	6.6
71.13970	0.9
71.14297	0.7
71.18954	0.5
73.02821	1.7
78.95767	1.6
83.01259	1.0
85.02824	2.4
86.43095	0.5
89.02312	0.9
96.95869	1.1
99.00767	1.0
101.02321	5.4
107.04900	2.5
109.02836	1.2
112.65264	0.6
113.02315	3.3
122.03613	1.8
123.08021	1.2
125.02323	1.8
131.08568	1.7
135.04407	53.8
136.05124	4.0
137.02353	3.1
137.05962	0.6
145.02812	0.6
148.05138	1.0
151.07544	0.6
152.99516	2.5
157.06525	0.9
159.03047	0.9
159.04402	2.9
160.05162	3.0
161.04469	4.9
161.05699	0.9
164.04694	8.3
165.01869	3.0
167.03407	0.8
171.08112	1.2
173.05916	1.2
174.06775	22.2
175.07553	8.2
176.08357	0.7
187.07549	0.6
189.09123	4.4
194.66132	0.6
244.14601	2.0
257.15512	0.7
258.16214	100.0
259.16931	33.6
260.17288	2.2
273.14960	2.3
284.09006	5.9
285.04004	1.1
291.15930	1.5
301.18085	4.8
309.14871	0.8
313.18246	0.8
319.21191	1.2
367.11749	1.1
421.22305	13.0
465.08063	0.7
465.21143	5.7
466.21039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1398
Annotation	Symplocoside
Peak:m/z	Relative Intensity
52.55683	1.5
57.03319	4.9
57.05431	1.8
59.01244	26.1
61.98671	1.8
63.31999	1.5
65.03801	1.9
68.99667	1.8
69.03317	4.0
69.27863	17.1
71.01259	15.3
71.91444	1.5
72.99181	1.5
73.02795	4.7
75.00728	7.0
79.95588	2.4
81.03330	2.3
83.01247	7.4
84.08777	1.6
85.02824	13.0
87.00731	9.9
89.02314	6.6
93.03329	9.0
95.01285	2.8
96.95848	1.8
97.02819	8.1
99.00767	2.9
99.04411	2.8
101.02320	6.6
107.04932	3.1
108.02047	5.0
109.02835	13.0
111.04401	3.2
113.02312	6.3
119.04904	6.2
121.02838	10.3
122.03619	15.3
123.04439	11.8
124.01480	3.2
125.02345	18.2
133.10974	1.5
134.06010	2.7
135.04456	8.2
137.02333	59.2
137.05966	4.2
138.02927	2.1
139.03812	2.5
149.02359	11.5
149.99429	3.0
150.03146	16.0
151.00294	1.9
151.03920	15.2
152.00984	1.9
153.01817	4.4
155.10658	2.3
161.02286	5.9
162.03055	5.8
163.03906	11.9
164.01057	2.0
164.04709	9.1
165.01849	8.2
165.05515	7.9
166.02715	3.9
166.06258	1.9
167.03404	4.0
173.04468	7.2
173.05890	2.5
175.03908	3.5
177.01811	3.0
177.05574	2.5
177.98940	2.6
179.03406	4.7
181.04897	2.5
185.11703	3.4
190.02611	12.2
191.05515	16.5
193.01334	9.8
195.06540	1.9
201.05342	2.9
202.06267	3.5
204.04100	2.4
205.05025	3.4
206.04456	2.9
215.12799	3.7
220.03680	2.0
220.07346	4.3
226.06230	1.8
228.58409	1.6
229.08496	3.0
241.04990	2.2
244.07367	6.7
246.05397	2.1
247.09764	3.8
249.06178	9.4
259.06198	2.2
259.09756	3.6
267.50766	1.8
268.24777	1.8
269.04544	1.8
270.05344	2.7
273.07785	2.9
285.04080	2.0
285.07510	3.1
288.06238	2.4
303.08707	100.0
304.09070	6.9
335.73566	1.6
345.05734	2.9
345.09732	23.5
346.09760	1.8
347.17236	2.1
357.48868	1.8
375.10812	8.1
405.21304	2.4
433.30005	1.7
447.18918	3.7
465.08563	2.4
465.13879	7.7
465.19724	27.7
466.08011	13.3
488.99411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1398
Annotation	Symplocoside
Peak:m/z	Relative Intensity
57.03305	2.3
59.01244	9.4
65.00189	1.1
65.19608	1.1
69.03337	2.3
69.64822	8.8
71.01251	6.2
73.02833	2.3
73.66567	1.2
75.00726	1.7
78.91760	2.7
83.01247	7.7
85.02819	4.0
87.00751	1.7
89.02315	2.9
93.03320	3.3
95.01225	2.2
95.04874	2.0
96.95898	5.8
97.02813	7.0
99.00751	2.2
101.02313	2.9
107.04900	4.8
108.02048	1.9
109.02838	9.9
113.02311	3.4
119.04868	1.3
120.33937	1.3
121.02824	6.0
122.03616	12.4
123.00737	2.2
123.04383	6.5
124.01565	1.5
125.02324	18.1
132.47252	1.4
135.04420	5.6
136.05199	1.8
137.02335	71.7
137.05978	2.1
138.03101	3.7
139.03922	2.0
141.01834	1.2
145.02832	2.5
147.04463	1.4
148.01564	3.3
149.02342	5.7
150.03125	18.9
151.00262	2.5
151.03903	15.8
154.02632	1.7
159.04393	2.6
161.02316	4.0
162.03127	6.7
163.03929	6.4
164.04752	2.8
165.01797	7.1
165.05484	12.9
166.02594	5.9
167.03377	3.6
173.04498	2.6
173.05916	1.8
177.05392	1.8
179.03426	2.8
180.07809	2.0
181.04973	2.6
190.02666	6.0
191.03400	5.7
191.05495	4.2
193.04938	2.2
195.06596	2.4
201.05528	2.7
202.06273	2.9
204.04161	2.7
209.04436	2.3
215.12863	2.5
217.08614	3.2
219.06557	1.8
220.03773	4.0
220.07277	4.8
221.04478	3.9
225.26117	1.2
244.07320	6.8
259.09818	2.3
268.09506	2.0
269.04654	2.4
270.05270	2.1
285.03937	3.0
285.07526	2.8
291.08737	1.6
303.08716	100.0
304.08929	6.3
327.08740	3.3
341.99478	1.2
345.09738	20.7
346.10129	2.3
375.10840	7.8
405.21042	1.8
465.13367	6.0
465.20200	8.0
466.08426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1037
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
57.03326	8.6
59.01244	6.5
65.00201	3.8
67.01687	1.3
70.21463	1.4
71.01262	4.1
71.53554	1.9
74.09815	1.2
78.58688	1.3
81.03310	1.7
83.01263	4.6
85.02814	2.9
87.00727	1.4
89.02325	4.0
93.03370	2.0
95.01278	1.6
96.95882	4.9
97.02780	1.6
101.02315	2.1
107.01283	7.0
109.02843	3.7
111.00766	1.8
113.02338	3.1
119.03380	2.0
121.02847	2.1
123.04418	5.2
124.01496	2.5
125.02328	100.0
137.02347	3.7
139.03938	3.0
149.02368	13.1
150.03125	2.9
151.00259	24.5
151.03940	4.1
152.00987	2.3
153.01845	23.8
165.01836	1.8
167.03412	6.3
169.01367	3.5
172.05223	1.5
174.03128	1.6
175.00299	4.4
175.03889	8.3
177.01868	15.6
178.99789	20.8
180.00073	1.4
181.01353	13.1
188.04742	2.0
189.05527	3.5
191.03537	1.9
191.05582	3.4
195.02895	2.1
199.03949	5.9
201.05606	1.7
205.01419	2.4
217.05031	7.4
241.05031	4.6
259.06085	5.1
273.07547	1.9
275.05585	24.9
284.03235	1.8
285.04025	50.9
285.07187	2.9
286.04361	2.4
299.05621	8.2
303.05075	76.6
304.05447	4.5
313.05450	1.7
341.05072	9.2
343.06638	8.9
399.67499	1.7
405.21106	3.5
437.11096	2.8
447.09207	4.4
465.15549	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	465.1037
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.01756	2.0
57.03312	4.8
59.01254	21.4
65.00196	1.9
68.31654	1.5
71.01260	10.2
71.57688	2.2
71.58112	2.3
72.99175	1.5
81.03324	14.4
83.01275	5.2
85.02831	6.8
87.00761	1.6
87.40961	1.6
88.61024	1.4
89.02338	7.5
93.03302	2.4
95.01245	3.0
95.04906	7.0
97.02831	5.6
99.00768	3.3
99.04393	13.0
101.02328	2.5
107.01292	2.3
109.02851	11.8
111.04401	2.5
113.02339	5.8
119.03367	2.1
121.02868	3.1
123.04411	11.1
125.02329	70.9
126.02634	1.6
133.02844	11.0
137.02345	6.3
139.03903	6.0
149.02370	7.3
150.03125	2.0
151.00269	12.2
151.03899	2.9
152.01135	1.9
153.01837	11.2
161.02412	1.6
161.47850	1.8
163.03905	4.6
165.01810	3.3
167.03404	100.0
167.10645	3.9
168.03719	3.6
173.04549	2.9
175.00273	3.3
175.03909	6.2
177.01884	11.3
178.99792	8.0
179.03487	2.6
181.01332	4.9
183.55615	1.6
189.05431	2.0
191.03615	3.3
191.05519	7.7
192.27390	1.6
192.89810	1.6
193.01353	2.7
195.02904	2.0
197.04494	15.3
199.03989	2.1
209.04456	2.2
217.05019	3.8
225.14986	1.5
235.02437	18.2
241.04980	1.9
244.07440	1.5
245.21240	1.6
259.06128	1.7
265.03534	4.3
267.07336	2.6
275.05716	11.7
285.04062	25.5
287.07571	8.0
291.08438	1.9
299.05627	4.9
303.05072	37.2
303.08701	8.7
304.05466	3.0
341.05237	4.9
343.06659	3.9
345.06146	27.5
346.06619	2.3
375.07318	2.7
393.58664	1.7
405.21359	3.8
447.08994	2.1
465.10010	2.2
465.15826	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.8
59.01243	8.7
69.03338	0.7
70.94790	1.1
71.01252	8.7
72.99176	1.6
73.02805	1.5
75.00750	4.0
83.01244	1.0
85.02813	6.7
87.00755	1.9
89.02336	3.3
95.01254	1.0
99.00749	2.7
101.02318	4.4
109.02845	0.8
110.69516	0.6
112.11333	0.5
113.02333	6.8
119.03417	0.8
125.02319	0.5
134.70711	0.4
161.04456	1.8
165.12756	7.6
175.02415	0.5
183.13818	100.0
184.14116	5.0
195.13855	3.7
209.11794	1.8
213.14885	17.5
214.15167	1.2
227.10698	1.1
227.12828	11.1
228.13310	0.6
235.08150	1.3
249.06187	3.1
253.09264	5.6
300.02661	0.6
301.03732	0.7
445.20541	1.6
463.21820	74.0
464.22116	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
56.00098	0.2
57.03320	0.2
57.30173	0.2
58.00466	0.4
59.01252	9.7
60.06747	0.2
60.21634	0.3
66.76270	0.2
69.03348	0.5
71.01254	7.0
72.99160	0.5
73.02842	1.4
83.01274	1.1
83.04873	0.3
85.02814	2.1
87.00759	1.0
89.02318	4.6
95.01277	0.7
97.02855	0.3
97.06477	0.3
99.00729	0.5
101.02327	6.1
103.03876	0.3
109.02821	1.7
111.08021	0.6
113.02328	2.9
119.03388	1.4
124.01563	0.3
125.02343	0.3
132.23454	0.2
133.04993	0.5
143.03426	0.5
158.32948	0.2
161.04451	1.9
165.12756	8.2
166.13077	0.4
178.02632	0.2
179.05519	0.5
183.13829	100.0
184.14175	5.2
209.11758	1.9
209.68127	0.2
227.12839	9.5
228.13290	0.5
235.08112	1.5
253.09276	8.3
254.09665	0.5
268.03787	0.3
271.02271	0.5
273.07721	0.4
283.05969	0.3
286.04703	0.5
300.02664	0.6
301.03659	0.4
301.07239	0.7
301.16672	0.6
445.20673	0.7
463.21854	63.1
464.22162	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
56.39604	1.0
57.03313	3.7
58.00458	3.4
59.01249	89.1
60.01603	1.0
61.65533	0.9
61.98692	1.4
66.77156	0.9
69.03315	0.9
69.92857	1.7
69.93265	5.0
71.00849	1.2
71.01251	23.2
72.99187	2.2
73.02818	4.9
75.00751	5.1
81.03339	1.1
83.01226	2.2
83.04913	1.1
85.02823	8.6
87.00749	16.0
87.04378	2.3
89.02309	14.9
92.05047	1.0
95.01252	2.3
98.20443	1.2
99.00735	2.1
101.02316	13.2
111.00777	2.2
113.02319	8.2
115.03905	1.2
116.32702	1.1
119.03374	8.7
121.02847	1.6
123.03375	1.0
123.08038	2.4
129.01794	1.7
137.09613	1.4
137.84459	0.9
139.11185	1.9
143.03468	1.3
146.05949	1.8
149.02367	1.0
149.09668	1.2
150.03098	1.6
151.03854	2.4
151.11137	1.1
153.09125	1.5
159.02898	1.6
161.04462	2.4
165.05544	1.4
167.10715	1.7
179.05557	3.2
179.10724	1.3
191.05513	3.6
193.12198	3.2
195.06606	1.5
197.11749	2.4
198.06668	1.8
204.06555	1.7
209.11784	8.8
223.13271	1.7
241.07295	11.2
241.14406	29.7
242.07903	2.1
242.14659	2.0
243.08603	1.1
253.09258	2.1
255.03036	1.4
271.14444	1.8
283.02460	1.1
285.10031	1.5
301.03598	1.1
301.07202	1.7
313.16376	1.9
329.14963	1.7
343.04559	1.3
343.12894	1.0
373.13983	9.1
377.14966	1.3
403.19705	100.0
404.20099	9.8
419.15762	16.8
420.16113	1.5
455.67117	1.0
463.08026	1.3
463.17310	8.1
478.79852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.6
57.03314	0.7
59.01247	6.1
66.88084	0.2
69.03334	0.3
69.36607	2.2
71.01251	4.3
71.04869	0.4
72.99162	0.7
73.02802	0.7
75.00745	0.7
80.02550	1.3
81.03316	1.0
83.01249	1.0
83.04894	4.6
84.02021	1.2
85.02825	3.3
87.00733	0.6
89.02308	3.4
93.03338	0.7
95.01292	0.4
95.04885	0.5
97.02757	0.2
98.19714	0.2
99.00723	0.4
99.04405	0.3
101.02310	3.7
109.06454	0.4
111.00752	0.9
113.02334	2.0
119.03375	0.8
119.04946	0.5
121.02837	0.4
125.02316	0.8
125.05973	0.6
129.01805	0.8
134.03624	0.3
135.07997	0.8
137.02373	0.3
149.02344	0.5
150.03172	0.5
151.00276	1.0
153.01819	0.4
154.99718	0.6
161.04454	1.7
162.62840	0.2
163.11205	3.5
163.77150	0.2
164.04686	0.3
165.05510	0.6
165.12775	2.3
173.04486	0.7
179.05516	0.5
179.07004	0.2
181.01471	0.2
181.12274	0.7
191.05504	1.1
191.10739	1.1
193.09927	0.2
199.13326	0.9
205.03464	0.8
209.11758	100.0
210.12096	5.0
213.09177	0.3
223.04509	0.5
225.90132	0.2
227.12830	17.2
228.13174	0.8
235.08148	0.4
243.02939	0.2
243.21599	0.2
253.09256	13.8
254.09621	0.5
255.02946	0.5
257.08167	1.2
271.02460	0.6
289.07275	0.3
300.02640	1.8
301.03488	1.9
301.07120	0.6
463.08231	1.7
463.22110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.1
59.01254	100.0
59.50602	0.5
60.01588	0.7
61.98705	2.3
65.03831	0.6
67.01765	0.8
69.03342	1.6
70.88876	1.0
70.89216	0.7
71.01261	5.5
72.65057	0.5
73.02815	0.7
76.22996	0.5
78.16525	0.5
78.95809	2.2
81.03323	0.8
83.01257	1.0
83.04920	0.8
85.02831	2.5
87.00775	0.8
89.02319	2.8
95.01267	1.5
96.95936	1.0
97.02858	0.9
101.02329	4.8
105.46896	0.7
109.02852	11.1
110.03212	0.8
111.08056	3.9
113.02340	5.1
115.71808	0.5
119.03425	1.8
120.43535	0.6
122.05982	1.3
123.00795	1.4
125.02387	0.9
135.00815	0.6
135.04465	1.0
151.00308	1.6
151.07643	0.7
152.01137	0.6
152.99457	2.8
153.01907	2.7
161.02357	0.7
161.04492	1.6
163.11230	0.9
165.12773	60.3
166.13072	3.4
168.00551	1.0
181.12250	1.3
188.10580	0.6
191.10689	1.3
195.13756	0.8
202.12465	0.6
209.11758	15.2
210.12038	1.2
221.06625	0.6
223.13399	0.9
227.12859	17.1
228.13301	0.8
241.14427	10.3
242.15106	0.6
243.03323	0.6
253.09309	1.0
259.06207	3.6
268.63000	0.5
271.02493	2.1
280.39420	0.6
283.15622	2.1
285.03989	0.6
300.02866	2.5
301.03357	1.3
390.75717	0.6
428.04617	0.6
463.08765	1.8
463.21124	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03310	2.4
58.00457	0.5
59.01248	9.2
69.03320	0.5
69.50286	3.0
71.01244	5.4
72.99171	1.0
73.02811	1.7
75.00737	1.5
80.02551	1.0
81.03328	0.8
83.01258	1.4
83.04897	4.7
84.02043	1.6
85.02820	11.2
85.71664	0.4
87.00744	0.9
89.02335	4.1
93.03324	1.3
95.01252	0.7
95.04882	0.7
98.20618	0.6
99.00752	0.6
101.02319	4.7
108.02026	0.6
109.02830	0.6
111.00755	3.2
113.02300	2.4
119.03354	0.9
121.02863	0.6
125.02283	0.9
125.05943	0.5
126.99432	0.7
129.01823	5.0
133.02849	0.8
134.03658	0.9
135.04390	0.7
135.08017	1.0
137.02376	0.7
149.02307	0.7
151.00287	1.6
155.10683	0.8
161.04448	1.9
163.03926	0.6
163.11229	2.6
165.12740	2.1
173.04446	2.0
173.05785	0.5
178.99689	0.5
179.03372	1.1
179.05565	0.7
181.12234	0.7
187.04187	0.5
191.05548	3.6
191.10687	0.6
199.13342	1.2
205.03458	3.5
209.11758	100.0
210.12099	5.0
213.09158	2.2
213.10934	0.5
217.08661	0.8
223.04530	5.1
227.03435	0.7
227.12827	17.5
228.13170	0.8
231.06554	0.4
241.14418	0.6
243.02838	1.4
253.09259	13.8
253.11880	0.8
255.02928	2.3
257.08151	4.8
263.12805	0.7
271.02478	5.0
271.05289	0.8
272.02887	0.7
286.04813	0.7
289.07205	1.5
298.04584	0.8
299.05005	0.5
299.13751	0.5
300.02640	8.0
300.05527	0.9
301.03467	7.0
301.07108	1.7
329.14917	1.6
342.06815	0.9
343.07407	2.2
430.29657	0.5
463.08279	7.1
463.17560	0.5
463.22482	0.5
464.08936	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07920	0.9
58.00467	10.6
59.01250	19.1
69.81440	0.8
70.64959	1.1
71.01253	9.2
71.55017	1.4
72.99162	1.3
73.02799	3.1
75.00746	3.1
75.58598	0.8
77.99364	0.9
83.01256	1.4
83.85197	0.9
85.02806	4.4
87.00716	1.7
89.02310	4.0
93.03333	2.2
96.95885	1.4
97.02879	1.0
99.00707	1.4
99.04382	1.5
101.02314	3.5
111.00787	1.1
113.02303	3.8
119.03383	1.8
122.05978	3.2
124.07565	2.2
129.78407	0.9
132.04396	1.9
133.05298	0.9
137.02322	1.2
137.04703	1.0
139.03920	0.9
146.06003	11.1
146.10350	0.9
148.07571	8.1
149.02283	1.9
150.03084	2.3
150.05518	1.2
151.03886	2.2
153.01904	0.8
154.01364	9.5
155.01721	4.7
161.04539	3.1
163.06053	1.2
165.01741	1.0
165.04124	1.5
165.05342	1.8
167.03445	1.1
167.05826	6.9
168.06508	1.8
173.04443	2.3
174.05469	4.3
176.07098	2.3
179.05688	3.3
188.07057	1.4
189.04179	1.5
191.05603	7.8
195.05222	1.6
197.11710	1.1
204.06587	15.5
205.07291	3.6
207.05257	3.3
209.11771	4.4
213.12404	1.1
216.06517	2.0
221.06914	1.3
224.14680	0.9
227.03331	1.3
227.08199	1.3
237.06386	6.0
241.07402	1.3
241.09726	2.0
241.14397	4.2
243.11269	1.6
249.06361	3.9
255.11430	2.5
269.12949	1.2
271.14502	15.8
283.10721	5.1
297.12399	1.4
299.13992	5.4
301.03540	19.5
301.06961	2.1
301.12146	1.0
302.03781	1.0
311.14096	1.7
313.12073	1.6
313.15634	1.4
329.15036	24.6
330.15381	3.0
337.11990	1.4
341.15158	1.0
343.06604	1.3
343.12991	8.9
355.12955	4.0
373.14014	100.0
374.14322	8.1
385.13934	10.1
403.15094	10.7
403.19788	1.9
409.14023	2.5
415.14517	1.6
427.15414	5.1
445.15839	3.0
463.11948	2.3
463.17203	42.1
464.17709	4.1
488.22327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31474	0.3
55.01784	0.3
57.03306	0.4
59.01250	9.5
60.01586	0.4
67.01783	0.4
68.99668	0.9
69.03320	1.1
70.83537	0.3
71.01257	2.3
71.31918	0.3
71.59595	0.5
73.02814	0.4
74.02348	1.1
75.00737	1.0
78.95800	0.5
81.03312	1.6
85.02840	1.6
87.00767	0.6
89.02294	0.5
93.03348	4.3
95.01265	4.4
95.04910	0.4
96.95897	1.1
97.02853	1.1
99.00762	0.4
101.02267	0.7
105.03343	0.9
107.01278	3.1
108.02056	0.6
109.02834	2.7
111.00734	0.4
111.04398	0.7
113.02333	1.5
119.04927	0.5
121.02826	1.4
123.00771	3.8
123.04411	0.4
124.01554	1.0
125.02347	5.8
133.02859	0.5
135.04425	1.0
136.01578	0.6
137.02342	2.3
141.01859	0.7
149.02338	1.4
149.99493	70.1
151.00294	10.9
151.03876	0.4
152.01012	0.7
153.01837	0.5
161.02351	0.7
163.00327	0.4
165.01843	2.0
167.03436	0.5
168.00555	0.3
169.01396	1.6
169.06432	0.4
175.03983	0.3
176.01088	0.3
177.01828	0.4
179.03517	0.4
191.03452	0.4
193.01343	2.0
209.11769	1.0
213.05492	2.3
227.12988	0.4
249.06139	2.4
271.02509	0.9
286.05051	0.6
287.07834	0.4
298.04810	0.6
300.02646	1.0
301.03607	0.7
301.07022	0.7
311.07861	0.4
313.05832	0.4
355.06705	100.0
356.07056	5.3
373.07910	1.6
383.11304	1.2
462.27304	0.7
463.12473	1.1
463.26779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1034
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.29977	0.6
59.01249	5.6
65.00195	1.9
70.99068	1.8
72.99182	1.2
73.02808	0.8
78.95773	6.3
83.01263	1.0
85.02836	0.9
87.00755	0.9
89.02312	1.4
96.95864	0.6
101.02322	1.8
107.01254	4.1
109.02838	1.0
115.03869	0.8
121.02866	0.9
125.02346	1.7
132.02087	0.9
133.02849	13.5
149.02322	3.9
151.00287	8.4
152.99480	9.3
164.83493	1.1
175.03955	4.0
199.03923	3.3
199.13443	0.8
201.01840	1.5
209.11758	5.8
217.00261	1.7
217.04869	1.9
226.02759	1.0
227.03426	2.3
227.12836	2.5
241.05060	1.8
243.02872	1.1
255.02965	37.0
256.03705	28.3
257.04068	2.1
267.03018	0.9
271.02515	1.8
283.02475	56.7
284.03238	83.4
285.04010	100.0
286.04294	7.3
298.04816	1.3
299.05374	0.8
300.02731	1.6
301.03558	1.1
327.04984	1.0
346.15735	0.7
381.04605	2.1
382.35703	0.8
405.09787	1.0
433.09283	1.1
434.10019	0.8
445.08957	3.3
457.20328	0.7
463.10278	16.9
463.21313	2.0
463.31235	0.8
464.10165	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	463.0883
Annotation	Isoaffinetin
Peak:m/z	Relative Intensity
59.00982	1.6
59.01253	17.6
65.00194	4.7
65.75405	1.0
67.01778	1.2
69.03310	1.4
71.01257	5.1
71.13811	1.6
73.02811	1.1
81.03313	1.4
83.01257	1.8
85.02808	2.6
87.00767	2.2
89.02317	2.3
93.03320	2.6
95.01250	2.0
97.02837	1.8
101.02320	3.0
107.01260	2.8
107.04923	1.2
108.02060	1.3
109.02835	7.8
111.00808	2.3
113.02334	2.9
119.04917	1.1
121.02853	6.7
123.00717	1.2
125.02345	5.6
133.02843	6.4
135.04370	4.0
135.05344	1.1
136.01575	2.1
136.98734	2.7
137.02344	7.8
147.04393	2.0
148.01543	1.5
149.02354	10.7
150.03127	2.8
151.00285	6.2
151.03922	3.5
153.01823	3.0
156.70012	1.1
161.02348	3.9
161.04428	1.5
163.00244	5.0
163.03882	2.9
164.01053	1.3
165.01865	8.9
165.05513	1.4
167.03416	3.9
175.03906	1.4
176.01085	1.2
177.01830	4.5
179.03395	4.5
179.05431	1.2
180.35153	1.2
181.01323	0.9
183.04443	1.2
187.03818	1.6
189.01849	2.3
190.99908	1.4
191.03439	3.7
191.05437	4.5
192.00517	1.1
193.01344	6.2
195.02936	1.4
197.06090	1.6
199.03940	2.2
201.01729	1.7
204.04283	1.0
205.01338	4.4
206.02126	1.6
207.02917	7.5
209.11760	8.6
211.04025	1.9
213.05516	1.7
215.03392	2.9
216.04231	1.3
217.01279	1.8
223.02391	2.6
225.05565	1.4
227.03404	3.5
228.04134	2.2
229.01443	1.2
229.05051	1.7
231.02802	1.1
233.00990	1.0
235.02483	2.2
241.05002	2.5
241.14433	2.4
243.03015	2.0
253.09293	1.7
255.02971	3.4
256.03690	2.6
257.04575	2.9
259.02429	1.6
265.03583	1.5
268.03732	3.9
269.04483	8.1
270.04852	1.4
271.02487	2.3
271.06036	2.4
272.03052	3.0
283.06174	2.7
285.03885	2.7
286.04572	1.2
296.03116	1.4
297.04025	7.1
298.04727	2.1
299.02124	2.1
299.05408	9.5
300.02750	44.8
301.03516	25.4
301.06897	1.5
302.03873	2.4
312.02786	1.2
313.03387	7.5
314.04370	7.3
315.04880	5.8
325.03244	4.9
327.05035	3.1
328.59470	1.2
329.06512	1.5
343.04538	60.7
344.04880	4.1
355.04526	5.1
357.06305	1.3
373.05585	25.3
374.05939	2.0
385.05939	1.3
403.06619	1.2
403.19714	4.1
414.34518	1.2
445.07779	7.7
463.08780	100.0
464.09164	8.4
464.69412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.46641	0.4
59.01248	2.8
63.02277	0.8
65.00188	2.1
71.01263	1.1
71.38860	0.7
73.50716	0.4
83.01251	1.6
83.28895	0.4
85.02824	1.0
93.03340	0.6
94.81377	0.4
95.01248	0.7
96.11679	0.4
99.00775	0.4
101.02336	0.5
107.01261	5.2
108.02083	0.7
109.02845	2.1
111.00695	0.4
119.04907	0.4
121.02838	3.7
122.53217	0.4
123.00764	0.4
123.29317	0.4
124.01545	1.1
125.02337	1.6
133.02823	0.6
135.00705	0.7
136.55374	0.4
137.02281	0.7
137.09610	0.8
141.42593	0.4
147.00729	0.8
148.01570	2.1
149.02341	5.1
149.99452	0.4
151.00261	17.8
152.01007	1.0
154.99736	0.7
155.10631	0.7
161.02370	1.6
163.00307	2.5
164.01044	0.9
169.01317	1.1
171.04488	0.4
175.00288	0.7
175.03954	0.5
177.01836	0.9
178.99780	5.2
179.03329	0.4
183.04485	0.6
187.03986	0.7
190.02835	0.4
191.03526	0.5
191.05580	1.0
199.03955	0.6
201.05461	0.7
203.03447	0.7
209.11790	3.1
211.03909	1.3
214.02530	0.5
215.03464	1.0
216.04225	1.2
219.05099	0.4
226.02615	1.1
227.03435	3.1
227.12802	0.6
228.04114	0.6
229.04971	0.6
233.04504	0.8
239.03456	0.6
243.02930	5.1
244.03258	0.6
245.04491	1.9
254.02159	1.7
255.02936	10.4
256.03549	1.0
257.04550	1.1
259.02374	0.6
271.02444	24.4
272.02997	3.2
273.03934	1.2
283.02414	2.7
284.03189	0.7
289.07257	0.6
299.01947	1.9
300.02713	71.7
301.03482	100.0
302.03824	6.9
323.07764	0.7
337.13388	0.4
387.23148	0.5
445.07736	29.6
446.07968	2.0
463.08746	44.0
464.09009	5.0
464.64297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	11.4
65.00192	2.6
69.29476	15.6
71.01252	3.7
77.54871	1.6
81.03309	2.0
85.02805	4.1
89.02299	2.9
93.03336	2.8
95.01256	1.8
95.40584	1.6
101.02319	3.0
109.02861	7.9
111.00702	1.8
113.02318	2.5
115.00124	1.7
115.27767	1.5
119.03419	1.4
121.02826	4.3
125.02337	4.2
133.02820	12.4
135.04402	5.1
136.98659	2.2
137.02312	6.0
139.03857	1.5
147.04347	1.7
149.02332	13.6
151.00272	3.7
151.03906	2.9
153.01807	2.5
161.02357	4.7
163.00337	4.1
163.02608	1.4
163.03932	3.2
164.01076	2.3
165.01860	8.3
167.03424	2.4
175.00230	2.2
175.03943	1.7
177.01807	3.9
178.99701	3.3
179.03391	4.6
189.01845	2.9
190.99756	2.4
191.03442	5.1
191.05426	2.5
193.01297	5.4
199.03992	1.9
201.01740	2.0
207.02913	4.5
209.11766	5.6
215.03348	2.8
219.02725	1.8
221.00841	3.5
225.05522	2.5
227.03375	3.7
241.04932	2.5
255.02757	2.2
257.04541	1.9
258.75900	1.9
269.04636	7.0
271.02740	2.2
271.06140	3.6
285.03979	1.9
297.04037	11.3
299.05548	8.5
300.02750	18.8
301.03528	14.5
313.03488	13.0
314.04193	3.9
315.05219	7.2
316.05063	2.2
325.03491	3.5
343.04538	100.0
344.04984	9.0
373.05600	20.9
374.06064	2.2
385.05908	1.8
385.18652	1.7
400.79089	2.1
445.07675	10.2
463.08734	67.2
463.17929	2.4
464.09109	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63977	0.5
63.02266	0.8
63.28762	0.5
64.86443	0.5
65.00188	1.9
78.83073	0.5
83.01234	0.9
85.81976	0.4
107.01269	4.4
108.02050	1.8
109.02840	3.1
121.02856	2.9
125.02334	0.5
135.00748	2.0
148.01550	2.5
149.02295	0.6
151.00264	12.0
152.00603	0.7
152.17735	0.6
163.00308	3.8
164.01024	1.0
169.01305	0.5
174.03160	0.5
178.99777	6.7
183.04437	0.9
187.03899	0.6
198.03111	1.0
199.03963	1.3
203.03394	1.0
211.03934	1.5
215.03412	1.0
216.04027	0.6
226.02623	2.7
227.03429	4.6
229.05019	0.7
243.00450	0.9
243.02954	15.2
244.03354	1.0
245.04492	1.6
254.02174	3.2
255.02960	32.7
256.03342	2.2
271.02463	80.8
272.02896	7.5
273.03961	0.8
283.02411	1.5
299.01987	2.0
300.02725	98.9
301.03488	60.4
302.03769	2.8
414.85086	0.6
463.08795	100.0
464.09158	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	461.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.7
59.01248	11.1
69.61826	12.1
71.01259	3.6
78.95786	2.0
83.04895	3.3
85.70557	1.5
95.04939	1.8
97.06499	2.4
109.06467	6.7
111.04396	1.8
111.08039	2.0
113.42818	1.5
118.63979	1.7
135.08061	3.9
137.09595	3.9
165.12900	1.5
179.34123	1.7
194.13821	1.6
203.14198	3.2
205.15891	2.2
207.10202	7.3
207.17535	1.9
213.14821	2.5
225.11240	5.3
231.17474	3.1
239.16455	3.5
241.18004	2.9
249.14856	2.9
253.09355	1.9
263.16611	1.8
265.18088	3.1
273.34195	1.8
275.16614	2.9
279.23315	4.8
315.26913	5.9
325.25360	9.3
341.24887	4.1
343.26398	13.1
344.26489	1.9
351.23178	5.3
359.25836	16.6
369.24292	22.4
370.24744	2.5
387.25366	68.2
388.25739	5.8
433.29547	2.1
443.27948	3.8
461.29037	100.0
462.29269	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2392
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
52.05796	0.3
53.78661	0.3
55.01752	5.5
57.03321	5.0
58.00459	2.8
59.01246	54.6
60.01585	0.9
61.01663	0.3
61.07370	0.3
64.40655	0.3
67.01760	0.4
67.13532	0.3
68.99686	0.7
69.03317	3.9
69.30225	2.0
69.30640	0.8
71.01247	100.0
71.04886	0.3
71.61757	0.3
72.01594	1.0
72.99172	5.9
73.02813	35.3
74.03130	0.4
75.00747	2.2
79.07266	0.3
81.03333	1.7
83.01250	21.6
84.02053	0.6
85.02816	43.6
85.99953	0.5
86.03156	1.3
87.00739	5.8
87.04371	0.9
89.02309	20.0
95.01260	6.0
97.02830	5.2
99.00748	15.0
99.04398	0.9
101.02314	71.4
102.02650	1.4
103.03883	8.9
108.02052	1.2
109.02818	0.9
111.00747	0.7
113.02319	33.9
114.02692	0.7
115.03867	1.4
119.03379	7.7
119.04788	0.3
121.47705	0.3
124.07573	0.3
124.82101	0.3
125.02327	8.8
127.03876	1.2
129.01840	1.5
131.03387	1.8
135.04356	0.3
137.02316	0.3
141.01759	0.6
143.03392	8.6
144.03787	0.3
145.04944	2.5
152.01054	0.9
153.01826	0.3
159.02887	9.0
161.04453	64.6
162.04765	2.0
163.06029	7.1
165.01826	0.3
168.04921	0.3
179.05521	0.8
185.00684	0.4
205.03432	3.7
205.07047	4.0
207.10158	0.8
207.73201	0.4
219.13835	0.5
223.69411	0.3
225.11293	0.5
229.07130	1.8
237.14821	0.7
241.01425	0.3
247.08203	3.1
265.09103	0.3
271.02200	0.3
287.22211	2.3
299.05466	0.6
307.10257	0.5
315.18076	43.9
316.18427	3.2
355.71283	0.3
359.16898	0.7
373.25720	0.4
401.29181	0.5
461.12921	2.0
461.23901	30.0
462.24210	2.9
487.21335	0.3
487.83987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28500	0.6
55.78300	0.5
57.03324	3.2
58.00478	0.8
59.01249	18.8
61.98215	0.6
61.98694	2.0
69.03315	2.4
69.35217	0.7
69.79409	3.4
71.01250	12.6
71.04888	0.7
72.99152	0.9
73.02818	3.4
81.03291	0.7
83.01265	1.6
83.04878	1.0
83.08099	0.6
85.02823	7.3
87.00757	0.9
89.02309	2.1
95.01279	1.2
96.50420	0.6
97.02831	1.0
97.06469	1.3
98.20432	1.0
99.00750	2.6
101.02319	9.0
108.02064	0.7
109.06468	1.4
111.08057	4.6
113.02319	5.2
119.03429	1.0
120.39929	0.6
125.02322	0.7
151.00262	0.9
152.99477	1.1
161.04430	3.4
163.11171	0.7
165.12750	47.3
166.13069	2.1
168.00328	0.7
170.30049	0.6
181.12274	1.0
183.13821	100.0
184.14087	4.6
191.10681	0.8
207.10217	1.9
209.11772	11.1
225.11273	2.3
227.12819	22.3
228.13091	1.4
236.48154	0.6
242.05843	1.9
251.11313	5.0
257.08075	2.6
282.05307	1.5
403.60596	0.7
419.26544	0.8
461.23920	59.0
462.24347	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	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52005	0.7
57.01277	0.6
57.03330	1.4
59.01248	9.8
61.98706	0.8
71.01249	3.3
73.02812	0.9
78.95773	14.1
81.03327	0.8
83.04913	1.6
85.02813	1.1
85.37907	0.7
89.02306	1.7
96.95885	1.1
97.02820	2.8
97.06448	0.9
98.20556	1.7
99.00735	0.9
101.02312	2.6
101.80580	0.8
109.06477	14.4
110.98412	9.7
111.46791	0.8
113.02293	1.2
119.03356	0.8
121.06509	1.0
124.77554	0.7
135.08046	1.1
142.02658	1.4
152.99474	2.5
161.04460	1.0
163.11160	6.0
167.01096	6.6
175.67151	0.7
179.14224	0.9
181.12297	2.4
185.02142	5.4
189.09126	0.7
195.13802	7.9
205.05592	0.9
205.15797	0.8
207.10196	39.8
208.10428	1.7
223.13350	7.8
225.11282	24.6
225.13542	1.5
226.11571	1.9
235.17009	0.8
243.12265	0.9
253.09230	7.9
256.13144	2.3
275.20151	6.3
293.21216	100.0
294.21509	8.7
299.14941	1.7
461.22437	20.9
462.21924	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	461.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.0
61.98689	0.7
71.01236	1.7
78.95776	11.3
80.22553	0.5
81.03338	0.6
83.04879	0.9
85.02802	0.8
87.87115	0.5
89.02303	1.3
95.04886	0.8
96.95872	1.0
97.02811	1.5
101.02325	1.1
101.84719	0.6
104.97344	0.6
109.06475	5.3
110.98406	8.3
113.02309	0.8
121.68488	0.6
142.02705	0.7
152.99504	1.4
163.11189	4.1
167.01064	4.3
179.14374	1.0
181.12204	1.1
185.02121	6.3
195.13815	8.6
196.14536	0.6
205.12224	0.9
207.10181	17.4
208.10498	1.0
211.13297	1.1
223.13354	7.2
225.11270	10.2
228.13597	0.8
231.21008	0.7
235.16893	0.8
243.60896	0.6
253.09248	4.5
256.13086	1.8
274.07440	0.6
275.20184	5.7
293.21194	100.0
294.21481	8.2
392.15927	0.8
400.75278	0.6
436.94073	0.6
461.23557	20.2
462.24060	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	461.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73438	0.5
53.19045	0.5
58.00451	0.6
59.01250	12.5
64.89271	0.5
65.03830	4.0
65.89093	0.5
67.01746	2.4
69.03307	0.8
69.25307	1.8
69.25725	4.0
71.01248	6.9
72.99169	0.8
73.02810	1.7
75.72432	0.5
81.03276	0.7
83.01231	0.8
85.02831	2.7
87.00755	1.1
87.92049	0.5
89.02304	2.3
91.01744	0.8
92.41595	0.6
96.30117	0.5
97.02826	1.1
99.00774	1.1
101.02316	3.2
103.03886	1.6
109.02827	49.9
109.06488	0.9
110.03138	1.6
113.02335	1.2
119.03378	1.2
123.00742	1.6
124.01544	0.5
125.02319	3.6
135.00739	4.9
151.00261	0.7
151.03912	0.8
153.01830	56.7
154.02164	2.4
161.02321	0.8
163.03888	0.6
163.05980	1.0
168.00456	1.3
184.82921	0.5
191.05556	0.8
198.06650	16.2
207.10167	1.9
225.11221	1.2
239.22574	0.5
241.07266	100.0
241.23607	0.5
242.07939	13.2
243.08759	2.3
247.08264	0.8
255.02950	1.4
256.03659	1.0
256.09488	2.6
257.10361	0.9
270.01651	1.3
271.02432	1.4
283.02328	0.7
284.03360	1.5
298.04782	2.4
299.01971	2.1
299.05557	3.0
313.05704	0.8
325.42572	0.5
327.14539	3.3
341.06516	1.9
341.16187	1.3
358.12756	1.2
376.13696	4.4
377.14529	1.6
395.17242	0.7
443.19427	3.3
461.12900	21.6
461.20401	76.9
462.13312	2.1
462.20694	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	11.1
69.53606	6.4
71.01254	4.4
72.99183	1.7
73.02823	1.2
75.00745	100.0
85.02842	0.9
87.00739	1.4
87.58204	0.7
89.02320	3.9
101.02328	3.0
111.17776	0.8
113.02356	2.3
116.29243	0.7
119.03344	1.2
137.02367	2.5
153.01779	1.1
161.02425	1.0
161.04543	0.9
165.09152	1.5
167.03427	1.3
179.10715	2.0
203.10793	1.9
219.13878	1.1
221.11810	13.2
225.11241	1.0
339.15161	0.9
401.18268	2.0
417.12967	1.0
461.15280	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	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02647	0.6
55.01764	0.8
59.01250	14.6
71.01248	6.5
71.57605	0.9
72.99201	0.8
73.02831	1.2
78.95766	2.9
80.02579	1.2
81.03331	2.4
83.01260	1.2
83.04895	2.5
84.02049	0.6
85.02824	2.1
87.00748	0.7
89.02318	4.9
95.01252	1.0
95.04883	0.7
97.02830	7.2
97.06452	0.7
99.00774	1.6
101.02324	5.7
106.04134	0.7
107.04948	1.0
109.06470	30.7
110.03588	1.3
110.98415	2.4
113.02316	3.1
119.03355	1.4
121.06464	2.0
135.08046	3.7
136.05190	1.8
142.02625	2.1
145.10118	1.1
152.99478	2.0
161.04454	2.5
161.09631	1.8
163.11183	18.7
163.12491	1.2
179.10663	1.0
181.12292	5.9
185.02110	1.3
189.09137	1.8
195.13824	0.9
207.10191	100.0
208.10544	4.7
209.11685	1.0
223.13322	1.1
225.11255	63.4
226.11647	4.2
235.08194	0.8
235.16942	1.0
243.12396	1.2
253.09239	19.6
275.20163	2.0
293.21204	15.6
294.21381	1.1
299.14975	2.0
443.18613	0.9
461.20190	51.7
462.20865	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06936	1.0
57.03314	2.3
59.01249	79.4
69.03324	1.5
69.71336	5.8
71.01252	18.3
71.04877	1.2
72.99183	6.4
73.02818	5.3
75.00742	17.6
83.01231	2.6
85.02825	11.8
87.00741	6.0
89.02312	9.6
91.01754	3.3
93.03326	3.7
95.01254	1.2
96.95899	1.2
97.02805	2.4
99.00732	4.9
101.02319	12.2
107.04920	1.0
109.02805	3.2
109.06427	1.3
109.99950	3.7
111.04389	2.4
113.02316	6.9
113.05943	1.1
119.03358	3.8
119.04858	1.4
121.02840	2.6
123.00758	5.1
123.04402	1.4
123.08018	1.1
125.02311	2.1
125.05957	3.8
133.02866	1.1
134.03584	1.1
135.00746	4.3
135.04443	1.2
137.02292	2.7
137.09674	1.3
143.03333	1.6
147.11656	1.3
149.02338	2.3
149.06053	1.3
151.00272	1.5
153.01762	2.4
156.13696	1.0
158.03595	1.3
159.02933	1.9
161.02335	1.4
161.04436	7.1
161.09592	2.7
163.07597	1.2
163.11234	1.5
165.05415	2.0
165.09085	3.0
167.03400	17.3
173.04378	1.8
177.09151	1.0
178.99763	1.1
179.03328	1.5
179.05548	1.7
179.10686	5.7
183.04408	1.6
185.02309	1.3
187.03911	3.7
189.01851	1.5
191.05507	3.3
193.04938	1.5
193.12109	1.1
195.10222	1.2
199.03964	1.4
203.10663	8.0
207.10176	1.8
211.03918	6.4
212.04613	1.9
213.01859	2.1
214.02638	2.4
215.03462	1.3
219.10170	1.6
221.11780	34.9
222.12144	2.6
225.11227	2.7
227.03435	11.2
228.03966	1.6
239.12764	5.7
240.04117	1.3
247.08089	1.6
255.02957	45.1
256.03604	10.7
257.04291	1.6
271.02399	1.4
283.02457	45.4
284.03229	100.0
285.03656	8.6
297.04086	2.2
298.04706	7.4
299.05582	91.1
300.05978	6.7
313.03384	1.3
329.08618	2.1
341.06519	1.2
401.17560	4.8
420.50125	1.1
461.10956	55.9
461.20401	2.1
462.11328	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	461.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00462	0.6
59.01250	14.1
63.38501	0.5
65.03829	9.4
67.01758	4.3
69.03321	1.7
69.77263	1.8
69.77670	1.2
71.01253	9.6
72.99162	0.6
73.02818	4.4
81.03320	1.1
83.01234	1.6
84.68230	0.4
85.02821	4.4
87.00726	0.8
89.02311	3.7
91.01746	1.0
97.02821	2.0
99.00767	0.6
99.73150	0.5
99.85966	0.5
101.02338	4.4
103.03886	2.5
109.02829	100.0
110.03163	2.6
119.03387	0.9
125.02311	4.0
135.00768	8.1
142.70903	0.5
153.01830	95.5
153.09082	1.6
154.02161	2.7
162.49265	0.5
163.06018	1.2
165.09045	0.7
175.02470	0.7
221.11836	0.8
239.12833	0.9
307.47113	0.6
461.13000	25.1
462.13083	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	461.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	12.3
65.03828	6.7
67.01757	3.0
71.01248	9.5
71.57590	1.0
72.99166	1.9
73.02818	4.0
81.03329	1.9
82.18501	0.9
83.01258	1.9
85.02821	6.2
87.00764	0.9
89.02280	4.1
90.01632	0.8
93.03317	1.5
95.01265	1.7
97.02820	1.3
101.02309	5.5
103.03886	1.8
108.01353	1.7
108.02045	17.1
109.02832	100.0
110.03152	2.5
113.02320	1.2
118.05009	0.8
119.03355	2.7
123.00735	2.2
123.04404	1.1
125.02320	5.8
133.04985	1.4
135.00746	7.6
137.02319	2.9
138.21059	0.7
145.04880	1.0
152.01048	28.0
153.01833	99.5
154.02206	2.3
163.06017	1.9
183.02890	1.3
205.03456	0.8
223.04449	1.0
244.98309	0.8
245.77640	0.8
247.08113	1.1
327.98145	0.9
417.14377	1.0
460.33286	0.9
461.12967	83.1
462.13333	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75552	0.3
59.01255	2.1
65.00204	0.4
69.03303	0.5
71.01237	0.8
75.09444	0.3
76.08633	0.3
84.78585	0.3
99.00735	0.3
101.02312	0.3
107.01250	0.4
109.06488	0.4
119.04917	0.3
126.73795	0.3
149.02339	0.3
151.00273	1.1
163.11296	0.4
183.04465	0.4
191.05632	0.3
192.48026	0.4
207.10150	1.4
225.11334	1.4
227.03490	0.5
229.29713	0.3
253.09129	0.6
255.02962	75.1
256.03345	5.6
268.03809	0.9
269.04510	3.3
270.01807	0.3
271.02576	0.4
275.42743	0.4
281.04547	0.5
283.02463	43.6
284.03162	9.1
285.03979	1.7
285.06940	0.3
297.04031	10.5
298.01422	0.6
298.04794	10.9
299.02109	0.7
299.05524	7.2
300.05917	0.7
313.03519	3.3
327.05084	0.5
341.06522	0.4
345.43765	0.3
380.05536	0.3
446.08508	14.5
447.08813	1.2
461.10889	100.0
462.11249	10.9
473.54083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.7
59.01248	4.8
61.34522	0.8
69.03339	3.0
71.01266	2.5
75.00749	1.1
81.03335	0.7
83.01253	0.7
83.55493	0.5
85.02829	4.1
89.02318	2.0
93.03329	2.0
95.01262	2.1
95.09570	0.5
97.02831	1.6
98.19771	1.3
99.00744	0.7
101.02326	1.0
108.02050	58.0
108.60980	0.5
109.02847	23.0
113.02331	1.3
117.02543	1.1
117.03340	14.0
118.03711	0.9
119.04912	16.5
121.02836	1.4
123.00762	1.8
123.04422	1.7
125.02333	3.3
130.84256	0.6
133.02882	1.1
135.04430	1.4
137.02338	1.7
139.07513	0.9
145.02849	48.6
146.03217	1.8
151.00253	3.4
151.03894	0.6
151.07570	2.0
152.01053	100.0
152.08287	1.0
153.01836	53.1
153.09058	0.9
154.02144	1.3
163.03905	15.3
164.04312	0.6
165.01900	0.6
168.02948	1.1
173.04567	1.0
177.01811	1.1
187.03966	0.9
191.05499	1.2
219.13875	1.7
227.03618	0.7
239.03404	0.6
241.01379	0.9
244.48285	0.6
255.02914	1.9
256.03702	1.9
263.12854	4.3
270.01682	1.1
271.02383	1.2
283.02557	1.7
284.03259	2.4
285.03830	0.9
297.06213	6.7
298.04282	0.6
299.02011	1.3
299.05548	3.8
307.08200	2.2
315.07190	4.9
316.07571	0.6
341.06613	1.3
348.35974	0.6
365.61752	0.6
370.67706	0.6
417.11920	1.2
461.10889	96.3
462.11285	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	461.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	6.6
69.03325	3.5
69.38568	4.6
71.01251	2.1
73.02803	0.6
81.03329	0.7
83.01270	0.8
85.02828	3.0
87.00733	0.5
89.02331	1.1
93.03341	1.8
95.01252	1.8
97.02814	1.9
99.00763	0.7
101.02296	1.4
103.89723	0.5
107.01231	1.2
108.02049	66.0
109.02856	26.2
109.03938	0.6
110.03158	0.7
113.02311	1.6
116.78204	0.5
117.03347	15.3
119.04048	0.9
119.04913	18.0
119.75888	0.5
121.02859	0.8
123.00755	1.5
125.02338	2.6
133.02867	1.1
134.03673	0.6
135.04396	1.4
145.02850	49.2
146.03117	2.5
151.00275	3.3
152.01053	100.0
153.01840	54.0
154.02174	1.7
161.02342	1.7
161.05830	0.5
163.02527	0.7
163.03908	15.5
164.04288	0.8
165.01799	0.6
171.04424	0.6
177.01842	1.1
179.03372	0.6
187.03972	0.8
193.05078	0.5
199.04019	0.8
207.10245	0.6
209.70387	0.5
211.03909	0.5
213.05545	1.1
225.11238	0.9
227.03484	1.0
239.03256	0.5
241.01421	2.2
242.02115	1.1
243.03014	0.6
245.00922	0.9
255.02975	1.3
256.03790	1.7
257.04385	0.6
270.01703	1.5
271.02463	4.1
283.02576	0.8
284.03333	1.7
297.06192	5.4
298.01309	1.1
299.02011	5.7
299.05692	1.8
300.02676	0.6
301.03488	1.1
307.08289	1.9
315.07214	3.5
368.65198	0.5
417.12097	0.9
461.10941	98.6
462.11411	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	461.1092
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
57.03314	0.4
59.01249	8.0
59.25280	0.2
61.98702	0.3
69.03322	1.5
71.01246	3.7
71.59363	0.3
72.99173	0.7
73.02821	1.4
78.95763	0.6
83.01251	0.8
85.02816	1.5
87.00729	0.6
87.04430	0.2
89.02309	2.5
90.31427	0.2
91.03880	0.2
93.03317	0.6
95.01247	0.5
97.02821	0.6
99.00732	0.9
101.02319	2.3
103.03845	0.3
107.01241	0.4
108.02018	0.4
109.02858	0.5
111.08009	0.3
113.02334	1.2
119.03367	0.6
119.04854	0.3
121.02832	0.6
125.02314	0.3
131.03410	0.4
133.02794	1.3
134.03581	0.5
141.17702	0.2
143.03406	0.3
144.42311	0.3
148.01601	0.3
151.00249	0.7
152.01035	0.3
152.99486	0.8
153.01801	0.7
159.02882	0.2
161.04456	0.6
163.06018	0.6
165.01826	0.3
165.12741	2.5
169.01314	0.2
171.10161	0.4
173.04506	1.1
179.05510	0.5
183.04500	0.3
183.13826	7.8
184.14069	0.3
185.00853	0.4
192.71977	0.2
196.14130	0.2
199.03908	0.2
205.07117	0.5
207.10156	0.3
209.11711	0.5
211.03734	0.2
211.40858	0.2
223.13341	1.9
224.13676	2.2
225.11320	0.8
225.13985	0.8
227.03285	0.4
227.12813	2.2
249.06038	0.3
251.07692	0.9
251.11282	0.5
253.09171	0.6
255.02930	4.2
255.09923	0.2
256.03690	2.1
257.04276	0.4
283.02356	1.7
284.03247	55.8
285.03589	4.4
298.04761	2.6
299.05585	100.0
300.02481	0.3
300.05908	6.7
327.21851	1.0
386.00330	0.2
461.10907	18.4
461.23862	3.6
461.30701	0.7
462.11121	2.4
462.24252	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.6
57.03326	0.8
58.00462	0.7
59.01247	100.0
59.26626	0.2
60.01580	1.0
61.98727	0.3
69.03318	2.0
69.29926	1.0
69.30350	1.5
71.01248	17.3
71.04898	0.7
72.01609	0.3
72.99178	0.9
73.02813	5.1
74.05535	0.2
75.00747	0.4
78.90588	0.2
81.03338	0.8
83.01252	2.5
83.04903	0.3
84.02046	0.2
85.02822	6.2
85.99980	0.3
86.03213	0.2
87.00735	1.8
89.02311	9.0
90.02658	0.3
93.03355	0.7
95.01268	1.6
97.02817	1.5
98.19810	0.4
99.00748	2.4
99.04412	0.8
101.02316	10.0
106.72274	0.3
108.02075	0.3
109.02882	0.3
111.00776	0.3
113.02328	10.2
115.03919	0.7
119.03391	3.8
121.02850	0.4
122.19675	0.2
123.04468	0.4
125.02322	1.3
131.03406	0.6
135.04405	0.3
137.02335	0.4
143.03397	3.5
143.04428	0.4
147.11726	0.3
149.04518	0.5
152.28702	0.2
159.02882	0.3
161.04453	3.1
165.12788	1.1
168.00468	0.3
179.05534	1.4
185.00880	1.4
191.05559	0.5
225.72647	0.2
239.16692	0.2
255.08986	0.4
255.19554	0.3
285.04108	1.0
317.19565	0.4
327.18402	0.5
341.10776	0.2
345.19302	0.8
360.83456	0.2
399.23639	5.5
400.24268	0.7
417.24768	5.1
447.08978	0.3
459.12561	0.4
459.22681	2.1
459.29620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
55.07417	0.3
57.03323	0.7
58.00467	0.5
59.01249	100.0
60.01585	1.1
62.58028	0.3
67.01797	0.3
69.03313	1.3
69.27139	2.9
71.01248	6.8
72.99218	0.6
73.02818	2.3
78.34155	0.3
83.01236	1.5
85.02824	3.5
87.00726	0.7
87.04404	0.8
89.02312	3.9
95.01279	1.0
97.02846	0.5
99.00758	1.3
99.04444	0.3
101.02320	6.1
101.05962	2.4
108.59559	0.3
113.02333	3.4
116.68486	0.2
118.19582	0.3
119.03403	1.1
121.02849	0.3
125.02317	0.8
139.61391	0.3
143.03435	0.6
161.04459	2.1
179.05563	0.8
185.00893	0.8
255.19737	0.7
282.01773	1.1
297.04214	0.9
297.20770	0.7
350.53067	0.3
399.23709	3.1
400.24686	0.3
417.24789	5.2
418.25143	0.6
459.29807	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
56.27972	0.2
57.03325	0.8
58.00478	0.6
59.01248	100.0
60.01589	0.9
61.01648	0.2
69.03332	0.8
69.50095	0.6
69.50524	1.1
71.01250	14.0
72.01588	0.4
72.99173	1.0
73.02816	4.5
75.00766	0.7
76.19689	0.2
81.03311	0.5
83.01266	2.0
85.02818	4.8
87.00767	0.9
87.04366	0.5
89.02314	6.6
93.03327	0.3
95.01258	1.9
96.95902	0.3
97.02837	0.8
98.20515	0.3
99.00749	1.7
101.02319	7.7
102.69006	0.2
102.83274	0.2
107.01281	0.7
111.00783	0.8
112.34806	0.2
113.02327	10.2
114.02689	0.2
117.03358	0.2
119.03384	1.7
119.04895	1.6
121.02847	0.5
123.00797	0.9
124.01592	1.0
125.02324	3.1
131.03400	0.7
134.03590	0.2
135.00815	0.5
135.04420	0.2
137.02376	0.5
143.03424	1.1
149.02347	0.4
149.74817	0.2
149.99506	6.0
151.00264	3.3
151.03940	0.3
152.00746	0.2
153.01830	0.7
155.03471	0.2
159.02927	0.4
160.01585	0.6
161.02357	0.2
161.04454	3.1
165.01834	0.5
165.12752	0.5
168.00551	2.2
169.01326	1.8
173.04466	0.3
175.03947	0.6
179.05565	1.1
183.13831	0.7
185.00861	0.4
191.03401	0.3
193.01320	0.4
227.12946	0.4
249.06201	0.7
255.06613	1.9
255.19566	0.5
280.31204	0.2
285.04132	1.2
329.19604	0.6
381.22989	0.5
399.23837	7.3
400.24213	0.9
417.24921	7.0
418.25446	0.9
459.11456	9.7
459.18027	0.6
460.11734	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39338	0.1
55.01755	0.4
56.41344	0.1
57.03328	0.8
58.00478	0.2
59.01251	100.0
60.01587	1.0
69.03328	0.5
69.39574	0.8
69.40013	0.6
69.58147	0.1
71.01254	7.1
71.04913	0.1
72.99184	0.4
73.02823	1.9
75.00750	0.4
83.01263	1.0
85.02825	4.1
87.00763	0.3
87.04396	0.9
89.02324	1.8
93.03340	0.1
95.01268	1.1
97.02843	0.3
98.19823	0.3
99.00763	1.1
101.02320	3.0
109.02870	0.2
112.01524	0.2
113.02328	7.2
119.03395	0.4
121.02821	0.1
125.02355	0.5
141.01860	0.2
143.03477	0.4
146.13507	0.1
152.01071	0.2
159.02911	0.4
161.04474	2.6
174.01646	0.2
179.05490	0.2
191.05658	0.3
204.25719	0.1
223.06055	0.2
248.52415	0.1
255.19751	0.2
285.03775	0.2
368.59979	0.2
399.23865	5.4
400.24371	0.5
417.24948	3.1
417.30051	0.2
418.25131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03320	0.3
58.00462	0.2
59.01248	100.0
60.01581	1.0
60.13072	0.1
60.32734	0.1
61.05300	0.1
69.03332	0.4
71.01250	6.0
71.38698	0.4
72.99184	0.3
73.02811	2.1
73.24682	0.2
75.00739	0.2
76.12021	0.1
80.69092	0.1
83.01257	1.1
83.22565	0.1
85.02816	2.1
87.00765	0.4
87.04413	0.6
89.02312	2.5
95.01266	0.6
97.02839	0.3
99.00748	0.7
100.11107	0.1
100.23650	0.1
101.02316	3.9
101.05941	0.9
111.00769	0.2
113.02320	2.5
119.03399	0.8
124.01495	0.2
125.02303	0.7
143.03392	0.6
155.33878	0.1
159.02960	0.2
161.04472	1.8
179.05566	0.5
204.26546	0.2
255.19643	0.3
297.20682	0.4
381.22891	0.6
399.23819	2.3
400.24457	0.3
402.81226	0.2
417.24841	2.5
418.25195	0.2
477.82611	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	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	2.3
59.01245	100.0
61.98714	2.7
68.98981	1.8
71.01240	2.2
71.57649	2.5
73.77333	1.7
78.95783	2.8
83.01228	2.5
83.04855	2.7
88.12646	1.7
91.75681	1.8
97.06485	2.0
110.98428	2.7
111.08043	2.9
121.02824	2.1
125.09622	3.5
148.95509	1.9
159.98564	2.0
166.55496	1.6
167.10657	5.3
179.10730	2.1
191.14253	3.5
201.02451	1.8
209.11774	9.2
223.13257	3.0
245.19127	3.5
247.20572	2.1
279.26181	1.7
289.18066	8.9
291.16721	3.1
291.19675	39.0
292.19806	2.0
307.19125	4.8
459.21420	4.7
459.31146	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	459.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01726	1.4
57.03314	1.0
58.00455	1.9
59.01247	100.0
61.25166	1.2
71.01250	29.3
72.99193	1.7
73.02822	3.7
83.01257	2.6
85.02791	7.8
87.00731	1.9
89.02311	33.7
95.01247	1.4
97.02840	1.6
99.00759	1.9
101.02313	22.6
113.02330	14.9
119.03372	18.1
121.02870	2.5
131.03412	1.8
143.03383	3.5
149.04532	2.0
161.04453	6.1
179.05479	7.5
275.25226	1.5
291.19702	5.7
384.60596	1.1
393.45370	1.1
399.23984	3.5
459.27963	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	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03316	0.9
59.01252	18.3
60.01568	0.3
61.98692	0.4
62.24936	0.2
63.87073	0.2
67.01756	0.2
69.03330	2.8
69.25504	1.7
69.25930	0.5
71.01253	6.2
71.04896	0.8
72.01555	0.3
72.99183	0.4
73.02829	1.9
74.06845	0.2
75.00740	0.4
81.03308	0.2
83.01254	0.8
83.04903	0.6
85.02821	2.0
85.06451	0.5
87.00742	0.9
89.02314	5.0
93.03341	0.7
95.01263	0.6
95.04913	0.4
97.02848	0.5
97.06483	0.3
99.00769	0.8
99.04396	0.3
101.02324	6.2
108.05682	0.2
109.02858	0.2
109.06472	0.6
111.08045	0.4
113.02333	3.5
119.03386	1.2
121.02889	0.2
123.08045	0.2
125.02364	0.5
125.09596	0.4
131.03407	0.3
135.11647	0.4
141.09070	0.3
143.03319	0.5
149.09599	0.4
151.03925	0.2
152.01131	0.3
153.01828	0.4
161.02335	0.2
161.04482	2.4
161.13278	0.5
167.10709	2.9
168.11108	0.3
177.12708	0.3
179.05515	0.5
179.10707	1.3
179.14331	3.3
181.12253	0.3
185.00778	0.4
187.02266	0.2
191.05524	0.3
195.13847	10.3
196.14168	0.7
202.21909	0.2
205.12280	9.8
206.12593	0.5
219.04933	0.3
220.05151	0.2
223.13348	100.0
224.13696	6.7
235.08267	0.6
237.11314	0.5
237.15045	0.4
253.09270	17.1
254.09621	0.6
267.32178	0.2
272.12927	0.2
285.03970	0.2
291.15176	0.2
291.18054	0.2
305.16171	0.3
312.12506	0.2
399.23502	0.3
399.28009	0.3
417.24713	0.2
423.22321	2.1
424.22653	0.3
441.19339	0.8
459.22675	4.1
459.29456	0.6
460.22824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03316	0.9
59.01252	18.3
60.01568	0.3
61.98692	0.4
62.24936	0.2
63.87073	0.2
67.01756	0.2
69.03330	2.8
69.25504	1.7
69.25930	0.5
71.01253	6.2
71.04896	0.8
72.01555	0.3
72.99183	0.4
73.02829	1.9
74.06845	0.2
75.00740	0.4
81.03308	0.2
83.01254	0.8
83.04903	0.6
85.02821	2.0
85.06451	0.5
87.00742	0.9
89.02314	5.0
93.03341	0.7
95.01263	0.6
95.04913	0.4
97.02848	0.5
97.06483	0.3
99.00769	0.8
99.04396	0.3
101.02324	6.2
108.05682	0.2
109.02858	0.2
109.06472	0.6
111.08045	0.4
113.02333	3.5
119.03386	1.2
121.02889	0.2
123.08045	0.2
125.02364	0.5
125.09596	0.4
131.03407	0.3
135.11647	0.4
141.09070	0.3
143.03319	0.5
149.09599	0.4
151.03925	0.2
152.01131	0.3
153.01828	0.4
161.02335	0.2
161.04482	2.4
161.13278	0.5
167.10709	2.9
168.11108	0.3
177.12708	0.3
179.05515	0.5
179.10707	1.3
179.14331	3.3
181.12253	0.3
185.00778	0.4
187.02266	0.2
191.05524	0.3
195.13847	10.3
196.14168	0.7
202.21909	0.2
205.12280	9.8
206.12593	0.5
219.04933	0.3
220.05151	0.2
223.13348	100.0
224.13696	6.7
235.08267	0.6
237.11314	0.5
237.15045	0.4
253.09270	17.1
254.09621	0.6
267.32178	0.2
272.12927	0.2
285.03970	0.2
291.15176	0.2
291.18054	0.2
305.16171	0.3
312.12506	0.2
399.23502	0.3
399.28009	0.3
417.24713	0.2
423.22321	2.1
424.22653	0.3
441.19339	0.8
459.22675	4.1
459.29456	0.6
460.22824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
59.82100	0.3
60.01588	1.0
71.01259	3.3
71.28051	0.5
71.57162	0.3
72.99216	0.4
73.02811	1.6
75.00793	0.4
83.01276	0.4
85.02831	1.2
87.00735	0.3
89.02311	3.3
93.03323	1.8
93.50231	0.3
95.01288	0.3
96.62175	0.3
96.95942	0.4
101.02321	1.7
109.02861	0.3
113.02297	1.8
119.03418	0.9
123.36226	0.4
127.33492	0.3
135.04398	0.4
137.02345	2.9
141.04073	0.5
149.99522	0.4
155.03429	0.3
158.60420	0.3
161.04456	1.4
168.00597	0.4
173.04498	0.8
177.09196	0.4
191.05597	0.7
195.10265	0.6
222.31567	0.3
258.69781	0.3
299.02090	0.4
339.14590	1.0
357.15540	2.4
399.16559	3.5
400.17059	0.5
459.10922	0.7
459.19040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.9
58.58358	2.2
59.01249	100.0
59.60922	1.7
67.26468	2.0
67.45513	1.6
69.03333	6.5
69.36971	19.7
71.01252	38.1
73.02815	56.9
74.94428	1.6
83.01247	14.1
85.02818	7.9
87.00723	3.3
89.02311	12.2
95.01259	2.6
97.02868	2.3
101.02314	56.0
108.02048	2.3
113.02340	11.9
113.97944	1.8
119.03360	5.5
120.54587	1.8
121.02842	8.0
125.02347	3.0
131.03406	3.3
135.04419	1.8
143.03371	3.2
149.04430	5.1
152.01070	2.9
161.04445	9.5
185.00764	3.0
191.42740	1.9
193.12277	7.3
231.03957	3.0
284.03159	2.6
285.03943	11.8
300.02695	3.4
373.18683	8.9
415.19650	32.0
416.20108	3.5
453.02261	2.3
459.22360	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	459.1873
Annotation	Dendromoniliside B
Peak:m/z	Relative Intensity
55.01750	1.0
57.03325	4.5
58.00473	0.8
59.01252	13.8
67.01743	0.6
68.99680	0.6
69.03322	2.1
71.01254	16.5
71.04874	0.4
72.99180	4.4
73.02806	1.5
75.00748	12.9
81.03333	0.6
83.01246	1.6
83.04875	1.0
85.02824	21.5
87.00753	6.4
89.02326	3.2
91.03876	0.3
93.03341	0.4
95.01260	5.2
95.04954	0.4
97.02816	0.4
97.06475	0.8
99.00757	9.3
99.04375	0.5
101.02318	1.1
103.00261	1.3
111.00765	1.0
111.08048	3.0
113.02332	22.3
114.02708	0.4
115.00273	1.5
117.01830	1.9
120.51203	0.3
126.49846	0.3
127.03889	1.2
129.01843	1.4
131.03380	0.6
137.80481	0.2
139.00218	0.5
157.01331	0.9
162.04216	0.3
165.12762	20.0
166.13145	0.7
175.02414	2.3
181.12300	0.6
183.13828	100.0
184.14143	4.7
187.06055	0.7
191.10704	0.9
193.03447	1.4
193.50650	0.3
205.07109	3.0
209.11778	6.4
210.12125	0.4
227.12834	11.0
228.13283	0.5
231.05092	0.6
237.14973	0.5
249.06114	3.4
257.00949	0.3
267.07239	0.4
301.16519	0.5
362.49829	0.3
397.18408	0.4
415.19720	51.2
416.20056	5.4
441.17606	0.9
459.18713	43.1
460.19025	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	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84407	0.4
55.01760	0.8
57.03317	1.9
58.00475	0.7
59.01247	25.2
67.01750	0.8
68.99686	2.1
69.03328	2.5
71.01248	14.9
71.04909	0.6
71.57290	0.5
72.99182	6.5
73.02808	3.3
74.64928	0.4
75.00742	10.4
79.95621	0.5
83.01254	2.1
83.04897	0.7
85.02818	12.6
87.00737	4.1
87.04386	0.6
89.02316	3.9
91.03870	1.0
91.78339	0.5
93.03305	2.2
95.01271	3.0
95.04889	2.9
96.95899	4.1
97.02841	1.0
99.00758	5.7
101.02304	2.6
103.00233	1.1
108.02055	0.7
109.02837	2.1
111.00742	1.4
111.04408	0.9
113.02320	12.8
114.27863	0.5
115.00240	1.6
115.03918	0.7
117.01833	2.0
117.57612	0.4
119.03422	0.7
119.04865	0.8
125.02264	0.7
129.01807	1.2
131.01599	0.5
133.05013	0.7
134.03644	0.5
135.04395	0.9
137.02327	0.9
137.05972	4.5
139.07553	1.1
141.01826	0.5
152.01079	0.9
153.01814	1.3
161.04442	0.8
163.07541	1.3
165.09116	100.0
166.09410	3.9
167.03378	1.6
173.04443	1.5
175.02382	1.6
181.08682	1.1
185.00864	0.7
189.03987	1.1
191.05528	1.9
193.03619	1.4
219.10292	0.7
231.05057	2.5
249.06113	77.3
250.06421	3.1
297.03793	0.7
313.07031	0.8
314.84164	0.5
315.06934	0.6
334.98843	0.5
375.10654	0.5
383.12384	0.6
441.13940	0.5
459.14990	44.5
460.15433	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	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07538	0.3
54.35426	0.4
57.03326	0.7
59.01251	5.3
64.06473	0.4
65.03831	8.3
67.01760	3.1
69.30003	4.0
71.01256	4.4
71.04889	5.9
72.17433	0.4
73.02824	1.0
77.58846	0.3
79.40999	0.4
83.01251	0.5
83.04914	0.4
83.48929	0.4
83.89571	0.3
85.02377	0.4
85.02805	1.9
87.04366	0.4
91.01772	1.1
92.47770	0.4
93.03362	0.8
99.04386	1.7
101.02309	1.8
109.02833	90.5
110.03173	1.9
113.02313	1.7
115.03921	0.5
117.05461	35.1
118.05805	0.4
135.00772	9.3
136.40553	0.4
151.03876	0.5
153.01840	100.0
154.02214	2.5
161.04468	1.5
161.08121	4.1
191.05667	0.8
206.97284	0.4
261.92822	0.4
265.19434	0.4
271.08350	0.6
297.06201	0.5
315.07135	0.9
326.35806	0.4
387.47495	0.4
389.14383	0.4
459.15060	14.6
460.15356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51307	1.5
54.06665	1.3
57.47667	1.6
59.01244	8.5
61.01740	1.5
70.34735	1.4
71.01241	6.0
71.56700	2.5
73.02812	41.4
85.02818	4.5
89.02306	4.5
91.83237	1.5
96.94410	1.6
96.95863	1.4
99.00753	5.7
101.02340	4.4
113.02325	3.7
116.92726	2.0
117.01817	100.0
118.02140	2.0
118.04949	4.0
119.03419	1.8
126.36217	1.5
133.22888	1.6
151.03947	1.6
175.03958	1.5
176.93301	1.3
179.05545	3.6
179.49522	1.5
185.53020	1.5
298.80054	1.6
341.10776	5.6
459.13077	1.8
459.18878	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	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76443	1.2
54.98801	1.2
57.03314	1.7
59.01246	19.2
68.16908	1.3
69.03291	1.6
70.60800	4.8
71.01248	12.3
71.04881	4.4
72.99163	2.4
73.02814	4.1
75.00733	1.9
77.18827	1.6
81.03349	1.5
83.01296	1.8
85.02823	10.4
87.00758	2.1
89.02316	4.2
93.03342	2.6
95.01224	3.7
99.00733	2.2
99.04369	2.4
101.02325	4.4
108.02045	65.3
109.02834	52.1
111.04345	1.3
113.02342	6.6
115.03844	1.9
117.05454	16.6
121.02866	2.8
123.00773	3.2
123.04462	1.9
123.82359	1.4
133.02827	1.6
134.03670	2.0
135.04395	4.0
137.06021	2.6
147.04385	1.5
150.03067	1.5
151.03891	3.7
152.01051	77.1
153.01830	36.4
160.01549	1.7
161.02243	2.0
161.08043	3.1
163.03864	3.0
165.01939	2.5
165.09076	9.1
175.03830	1.8
177.09164	1.5
179.03345	1.6
181.04997	3.7
193.05064	1.2
195.06544	2.7
249.06059	5.4
267.07205	4.5
289.69202	1.3
297.06125	5.1
298.04507	1.9
315.07297	13.8
339.05136	3.7
366.00543	1.6
387.20273	5.5
397.63797	1.5
415.12415	15.9
416.12900	2.8
436.57092	1.4
459.10187	5.1
459.15063	100.0
460.15451	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16630	0.6
57.03313	1.2
58.00471	0.8
58.42454	0.8
59.01250	100.0
60.01592	0.7
67.01749	0.7
68.99682	0.8
69.03345	1.2
70.37759	1.9
71.01253	22.6
72.99177	1.7
73.02814	12.3
76.35564	0.7
81.03297	0.8
83.01270	4.2
84.83308	0.8
85.02824	8.9
87.00725	2.7
89.02319	5.7
90.53870	0.8
93.03324	0.8
95.01259	1.4
96.95905	0.8
99.00762	1.5
99.04406	0.9
101.02319	14.7
109.02874	0.8
112.35246	0.6
113.02308	6.6
119.03362	2.2
121.02876	1.0
123.49699	0.7
125.02306	1.5
127.07506	3.5
131.03374	3.0
135.04376	1.0
137.02344	1.7
143.03409	1.8
159.02902	0.8
161.04471	6.6
177.12750	10.8
179.05498	1.1
203.05524	5.4
217.00287	0.9
217.15973	1.1
221.06590	6.2
235.17001	4.4
238.48093	0.8
261.09592	1.0
263.07742	2.9
342.81992	0.9
403.79962	0.8
457.15094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37453	0.3
57.03335	0.4
59.01248	100.0
60.01576	1.3
63.40606	0.4
66.18656	0.3
69.91994	0.6
69.92402	1.1
71.01247	2.2
73.02816	0.5
75.00743	0.4
84.03786	0.3
85.02829	1.1
87.97122	0.3
89.02345	0.6
90.72193	0.3
97.06499	0.4
99.00810	0.5
101.02338	1.3
113.02338	1.0
125.02340	0.4
125.45284	0.3
141.50171	0.3
143.89758	0.3
152.01131	0.3
161.04480	0.6
171.10187	0.3
191.05682	0.3
202.69440	0.3
217.00275	0.5
444.11304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33975	0.5
52.06800	0.5
55.01763	1.2
57.03319	1.3
58.00476	0.9
59.01246	100.0
59.28542	0.5
60.01575	1.2
69.03324	3.7
69.29645	5.7
70.17754	0.5
71.01247	27.2
72.99174	1.5
73.02817	26.9
73.03237	1.3
75.00749	0.6
81.03326	0.6
83.01254	7.1
85.02816	5.1
87.00759	1.3
89.02310	12.2
95.01253	1.5
97.02828	1.1
98.19759	1.0
99.00775	2.2
99.04379	0.7
101.02316	30.1
104.96336	0.6
109.02890	0.8
110.06026	0.7
113.02318	9.6
113.03043	0.8
119.03397	5.6
122.06020	3.0
125.02354	2.0
131.03436	1.6
141.04085	0.7
143.03403	2.8
149.04485	2.1
155.03398	1.3
158.02260	0.7
160.04012	0.7
161.04459	7.5
163.03999	0.6
165.12776	1.4
179.05554	2.0
182.08423	0.6
185.00856	1.3
186.01871	10.6
188.03435	0.7
191.05482	1.2
203.05243	0.7
209.08183	1.1
214.12320	0.8
218.04523	16.2
219.01862	0.7
219.05110	1.1
221.86725	0.6
230.11841	1.3
241.77907	0.6
244.09984	0.6
253.18204	1.8
258.11316	1.8
273.10016	0.8
274.11008	0.9
305.12750	2.1
349.11862	1.3
361.71103	0.6
383.19495	1.3
395.19696	3.0
397.22125	2.8
415.23337	5.1
427.18805	1.5
439.18665	10.0
440.19061	0.7
457.19678	17.9
457.24622	1.6
457.29538	1.1
458.20139	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74995	0.3
54.24611	0.3
55.01745	0.5
57.03325	0.7
58.00457	0.4
58.93414	0.3
59.01248	100.0
60.01590	0.6
63.70014	0.3
68.99680	0.3
69.03322	2.9
71.01250	10.1
71.58635	0.4
72.99179	1.1
73.02813	5.2
73.03190	0.5
75.00753	0.7
83.01254	3.0
85.02806	4.2
87.00755	1.0
87.04379	0.4
89.02313	3.7
93.03329	1.7
95.01253	0.7
97.02826	1.1
99.00744	3.8
101.02318	7.4
107.04882	0.3
108.02037	0.6
109.02859	0.4
110.03209	0.3
111.04447	0.4
113.02327	5.3
119.03389	0.9
121.02856	1.1
125.02346	1.1
127.03912	0.4
129.01791	0.4
131.03413	0.6
135.04427	1.5
137.02319	0.8
141.01831	0.8
143.03389	0.4
145.02875	0.4
149.09654	0.6
152.01106	0.6
161.02348	0.3
161.04428	1.9
163.03926	0.8
173.04478	1.8
175.03911	0.3
179.03400	0.9
185.00932	1.7
185.02292	0.3
186.89597	0.3
189.13280	0.3
191.05611	1.1
193.08580	0.3
203.01924	0.9
205.05083	0.4
207.13780	0.6
219.13937	0.4
231.13988	0.3
235.13434	0.4
249.06181	0.3
271.19238	0.5
273.06815	0.3
284.03156	0.4
285.04077	1.2
295.08331	0.5
415.23361	0.5
421.20761	3.0
457.20734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1968
Annotation	Kopsilongine-N-oxide
Peak:m/z	Relative Intensity
52.27097	0.9
55.01748	1.4
57.03313	3.6
59.01246	73.4
61.98726	1.1
65.30814	1.0
67.10205	0.9
68.85296	0.9
69.03315	5.2
70.55003	1.1
71.01247	20.2
71.58398	1.8
72.99170	3.1
73.02814	8.3
74.56751	0.9
75.00742	7.4
80.91543	2.5
83.01262	4.1
85.02824	13.3
87.00743	3.8
89.02309	8.5
93.03310	2.0
95.01259	4.4
95.04902	3.3
96.95879	1.9
97.02793	2.0
97.06438	1.8
99.00726	6.3
99.04408	3.7
101.02309	10.6
107.30260	1.0
108.02041	1.8
109.02836	2.0
110.05992	1.9
113.02324	17.4
117.01836	1.2
119.03373	2.4
121.06446	1.1
122.05999	15.1
125.02309	3.0
127.03866	1.3
135.00784	1.5
135.04379	3.8
137.02344	2.1
139.03850	1.1
143.03398	1.6
152.01027	1.8
158.02371	1.9
160.03905	2.2
161.02325	2.3
161.04475	3.2
163.11171	4.6
170.09619	1.1
173.04524	2.4
175.02437	1.4
181.12277	9.3
183.13812	1.1
185.00816	3.2
186.01878	56.1
186.05466	2.0
186.12743	1.3
187.02562	6.3
188.03452	6.4
188.07024	1.4
191.05486	1.3
207.10188	1.3
214.08635	3.3
214.12215	2.1
215.09442	3.5
218.04517	95.2
219.01640	2.8
219.05202	7.5
220.05980	1.0
225.11382	2.5
230.11778	6.0
242.11798	1.1
244.09723	2.8
249.06113	2.0
251.04364	2.0
253.05081	1.1
258.11325	8.8
261.09918	2.3
273.10028	4.3
273.13696	2.1
274.10837	7.0
285.04068	1.2
305.12619	12.3
309.08868	4.4
315.07108	1.3
317.12598	4.4
323.14282	1.4
327.09909	2.0
349.11594	6.2
353.10025	1.1
383.19736	8.7
395.19861	14.1
396.19839	2.4
403.36118	1.0
413.17709	4.0
413.29062	2.2
415.23044	2.0
427.18698	9.8
428.19263	1.5
439.18713	53.1
440.18848	7.2
457.20029	100.0
457.27924	5.3
458.20398	13.3
458.26654	1.6
483.73236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
50.45131	0.3
55.01756	2.4
57.03319	1.2
59.01248	20.2
69.03320	0.9
70.14041	1.7
71.01252	29.5
72.99174	0.6
73.02818	12.1
75.00741	0.6
76.57396	0.4
81.03331	0.6
83.01251	4.4
85.02824	9.8
85.03347	0.5
87.00739	1.6
89.02311	8.2
93.03337	0.5
95.01252	2.0
95.22770	0.3
97.02842	1.2
98.19900	0.5
99.00087	0.6
99.00251	0.3
99.00751	17.2
101.02318	17.3
102.02646	0.4
103.09827	0.3
113.02326	12.8
114.02673	0.5
115.03894	0.4
115.04984	1.4
119.03392	0.7
121.02864	0.7
121.06490	4.3
121.66038	0.4
125.02332	1.4
126.03841	0.3
130.08641	3.5
131.03398	1.9
132.39153	0.3
135.04401	0.6
137.02281	0.6
141.01857	0.4
143.03395	2.8
143.42188	0.4
147.04419	1.1
148.05197	100.0
149.05920	5.2
153.01762	0.5
157.13354	1.2
159.02928	2.8
161.04457	26.3
162.04805	0.8
163.07547	81.7
164.04744	0.4
164.07875	4.3
165.03935	0.4
173.04474	0.8
185.00861	0.4
188.14116	0.4
191.05528	3.0
201.12317	0.7
203.01785	0.4
203.05542	0.8
205.03409	0.5
242.07559	0.4
257.77515	0.4
270.21875	0.9
293.08966	0.6
325.12939	1.7
335.43057	0.4
413.24081	5.1
457.17102	32.5
458.17380	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	457.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.7
57.03318	6.7
57.46840	1.3
58.00463	1.1
59.01247	70.6
59.17181	0.8
59.78249	0.9
67.01757	1.4
68.99663	2.5
69.03314	6.9
69.23931	2.5
69.24344	8.6
71.01249	40.6
72.99174	12.1
73.02815	10.0
75.00740	27.0
79.16678	0.9
80.02529	1.8
81.03325	1.2
83.01247	4.5
85.02815	42.5
85.48968	0.9
86.03126	0.9
87.00746	14.7
89.02317	9.4
93.03310	1.0
94.20483	0.9
95.01260	9.6
95.04410	0.8
95.04894	8.2
97.02802	2.8
98.20517	1.6
99.00750	18.9
99.04359	3.4
101.02319	9.8
103.00212	3.3
107.04887	1.7
107.08466	1.1
109.06447	1.3
111.00690	1.2
113.02317	47.4
114.02607	1.1
115.00204	3.5
117.01814	5.0
117.03255	1.0
119.03326	1.6
121.06448	1.1
122.05936	2.2
125.02241	1.7
127.03874	2.0
129.01782	2.6
131.03342	1.8
133.06262	1.3
135.04372	3.4
136.04659	1.0
141.01779	1.1
145.10101	1.3
157.01266	1.7
157.31612	1.0
161.02235	1.0
161.04388	2.0
163.11179	11.1
173.04506	1.0
175.02376	4.8
181.12248	32.5
182.12570	1.9
185.00769	4.3
186.01889	9.7
187.06041	1.4
193.03380	1.8
205.06937	1.3
207.10170	2.1
214.08511	1.0
218.04509	13.5
225.09282	1.5
225.11270	21.5
231.04987	1.1
235.13399	1.6
249.06117	9.4
253.05066	4.8
253.17957	1.2
258.11295	2.1
274.10770	1.7
298.92331	0.9
305.12650	1.7
317.72125	0.9
333.47070	1.0
383.19824	1.4
397.14822	1.8
413.18112	24.4
413.29318	1.3
414.18246	2.6
415.23029	2.2
427.18463	1.5
439.19098	7.4
457.16971	100.0
457.27847	3.5
458.17288	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23782	0.4
53.42289	0.4
55.01756	0.9
57.03320	1.6
59.01249	24.9
68.06811	0.5
69.03316	1.2
71.01250	13.6
71.59116	0.8
72.99179	1.2
73.02817	8.0
73.03226	0.6
83.01244	1.7
85.02820	6.0
87.00739	1.2
89.02309	9.1
91.01753	1.2
93.03329	2.2
95.01258	1.0
97.02785	0.6
99.00748	13.5
101.02322	9.0
101.73193	0.5
105.24054	0.5
106.06506	8.1
107.04906	1.3
109.02852	0.9
113.02332	5.8
119.01269	4.3
119.03387	1.2
119.04904	0.6
121.02835	2.7
125.02307	1.1
126.13728	0.5
129.01836	0.5
131.03395	1.7
133.02882	0.6
134.03621	1.9
135.04405	1.9
137.02351	1.0
143.03372	0.7
144.45163	0.5
147.00804	3.5
147.04427	0.6
149.02354	10.5
149.04361	3.6
150.05487	6.0
151.03987	0.5
152.01054	2.0
153.01851	0.7
155.03419	0.9
161.02332	0.6
161.04501	3.5
162.03154	0.8
163.03915	3.8
164.04700	13.4
164.73340	0.4
165.01816	2.1
165.05281	0.5
173.04478	2.2
175.00273	32.1
176.00563	1.6
177.70129	0.5
179.07010	3.5
185.00848	0.6
188.80046	0.5
190.02637	84.0
191.02957	4.7
191.05501	6.1
193.01390	0.7
194.04520	2.3
203.05571	1.6
205.04993	100.0
206.05342	6.1
207.02942	1.4
209.04434	0.7
223.06065	27.3
224.06387	2.2
249.06142	0.7
263.07571	0.7
267.07288	1.0
283.11826	1.7
342.78699	0.5
361.63965	0.5
414.14059	0.6
415.15991	3.7
442.14896	2.2
457.17120	65.6
458.12662	1.8
458.18011	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	455.3527
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
51.94241	0.1
59.01221	0.1
62.24934	0.1
69.29497	0.1
71.05912	0.4
79.12934	0.1
84.65491	0.1
105.10564	0.1
266.96439	0.1
362.18335	0.1
407.33139	1.3
408.33075	0.1
410.55356	0.1
455.35257	100.0
456.35602	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	455.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96276	0.2
59.38916	0.2
78.31094	0.2
197.10146	0.2
224.36015	0.2
229.24475	0.2
229.72554	0.2
273.11218	0.2
335.92923	0.2
427.23761	0.2
455.35294	100.0
456.35641	15.6
456.42273	0.2
476.33456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00574	0.9
57.03333	1.4
59.01265	2.2
63.96113	13.0
65.34455	1.0
66.23209	1.0
66.44938	1.2
68.43611	1.0
68.99686	8.1
70.15412	3.1
70.15806	2.6
71.01241	1.8
72.00261	1.1
79.05403	1.3
79.95604	4.6
81.03333	9.7
91.05424	5.5
93.03348	3.2
93.06988	2.4
95.01259	17.0
95.04898	6.8
103.05385	1.3
103.39037	1.2
106.04102	2.0
107.04918	16.7
108.02077	3.0
109.02817	6.0
109.06519	2.1
119.04919	18.6
121.02840	4.9
121.06498	11.5
122.03632	8.2
123.04438	5.2
131.82007	1.1
133.06419	5.9
133.41887	1.0
135.04422	100.0
136.04788	3.9
137.05983	29.5
138.03148	1.8
143.08911	2.9
146.98119	1.2
147.04422	16.9
149.05882	1.4
150.03111	3.1
150.06746	5.2
151.02118	1.3
151.07475	1.1
163.03925	5.1
164.02945	2.3
179.01691	4.1
180.02448	8.7
180.03841	1.8
181.03148	2.2
182.05798	8.4
196.01903	1.7
212.01418	13.2
261.18512	2.0
275.14688	1.9
293.15778	7.0
294.16571	30.9
295.17096	3.1
326.15567	83.5
327.15872	7.8
360.13141	1.1
455.26553	4.8
455.35492	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	455.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02266	0.4
55.01756	3.2
59.01249	12.9
59.45977	0.4
67.01754	0.9
68.99687	0.6
69.03326	100.0
70.03664	1.5
71.01246	3.7
71.07628	0.7
72.99202	1.9
73.02793	0.8
75.00748	0.8
75.91724	0.3
79.01781	1.6
79.24174	0.4
83.01304	0.5
83.34004	0.3
83.92265	0.4
85.02806	2.7
85.37395	0.3
87.00763	0.9
89.02324	1.0
93.03336	0.8
95.01246	2.2
95.04887	0.3
97.02828	22.9
97.06470	0.4
99.00755	26.7
101.02319	1.5
109.02867	0.6
111.00766	0.6
113.02323	2.0
119.03336	0.4
119.04888	0.4
123.00790	1.4
123.04446	0.6
128.63150	0.4
133.02887	0.8
134.03653	1.0
135.04420	0.8
137.02362	0.6
140.07564	0.4
141.01843	8.8
149.02350	1.3
151.00247	0.4
152.01103	0.4
153.01819	0.8
161.09767	0.4
163.03929	0.5
164.04695	0.9
178.02661	0.4
179.10764	0.6
185.00850	76.7
186.01198	2.3
191.05527	0.4
203.01866	2.2
223.06129	1.6
233.15756	0.4
269.17551	4.3
284.03363	1.5
285.04016	5.9
286.04410	0.5
293.04581	0.3
395.20456	0.5
413.21738	0.5
455.19415	5.8
455.29510	0.5
456.19452	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.7
57.03330	1.3
59.01245	10.7
69.03313	3.8
69.25748	7.0
71.01262	2.5
72.99186	0.8
73.02792	1.3
75.00740	0.7
78.00413	0.6
78.95770	41.4
79.48566	0.7
82.20167	0.6
85.02827	1.3
88.69568	0.6
89.02345	0.8
96.96842	2.7
97.02795	1.2
99.00750	1.3
101.02309	1.7
111.08051	1.2
112.38055	0.6
113.02337	1.4
124.21645	0.7
125.11596	0.6
130.43159	0.6
134.03618	2.4
135.04375	1.0
150.97847	0.9
152.99477	49.5
161.04533	0.9
165.11354	1.4
165.12747	24.7
171.00545	7.5
177.01758	0.7
178.02615	2.4
183.13817	84.0
184.14151	4.8
185.00821	2.8
189.12762	1.1
191.05443	0.7
209.11752	2.5
223.67618	0.7
227.03194	3.9
227.12822	36.1
228.13191	2.3
229.12000	0.6
233.11824	5.0
245.04210	2.5
275.09052	1.0
293.10471	0.7
332.39572	0.6
363.12219	3.2
381.13309	1.5
437.15845	3.1
455.16809	100.0
456.17200	9.9
477.34113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71509	0.5
59.01036	0.4
59.01251	4.4
61.98697	0.5
64.12700	0.5
64.60596	0.5
69.03320	2.2
71.01241	1.8
71.58981	0.5
72.99160	1.1
75.00740	0.9
78.95779	4.8
79.86303	0.5
85.02824	1.4
87.00725	1.1
89.02297	0.7
93.03331	1.0
96.96829	1.5
97.02802	1.4
99.00748	0.8
100.26619	0.5
100.71131	0.5
101.02316	1.3
106.44168	0.5
108.02051	0.5
109.02849	1.2
109.05196	2.1
110.05982	1.5
111.04399	0.8
113.02320	1.4
118.06512	4.0
119.04899	1.2
121.05219	7.8
122.06042	3.5
123.06799	3.5
132.04449	0.6
134.03618	1.4
135.04404	1.6
137.02298	1.2
139.06210	1.2
141.01820	0.7
146.06013	21.7
147.03049	0.5
147.04330	0.7
147.06363	1.0
152.01031	1.5
153.01784	1.9
160.01611	0.7
161.02376	0.5
161.04640	0.6
163.03801	0.8
165.03964	1.3
168.06580	0.7
173.04413	1.7
175.03865	2.0
179.05719	1.4
185.00870	0.7
187.07603	0.6
191.05550	2.0
193.04919	1.7
199.08704	0.7
212.10699	3.0
213.10301	1.4
226.07362	2.1
226.12282	2.1
227.08212	16.8
228.08521	1.2
240.08772	0.6
241.09785	24.3
242.10461	6.1
243.11098	0.8
249.06046	0.8
253.09708	1.6
254.10492	1.2
255.11353	16.2
255.13965	1.0
256.11777	1.5
267.11368	2.0
268.12091	4.7
269.12915	7.0
270.13687	3.8
281.14072	0.6
285.12292	1.6
286.10031	0.8
286.13037	2.5
288.11105	2.2
300.11121	5.7
302.12671	4.5
314.12552	2.4
318.12152	2.2
326.28165	0.6
357.08817	2.2
380.19632	2.6
392.19693	8.0
393.20227	0.9
410.20831	2.5
424.18872	1.7
436.18750	7.2
437.18652	1.1
454.19815	100.0
455.20343	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	454.1981
Annotation	Renieramide
Peak:m/z	Relative Intensity
57.71509	0.5
59.01036	0.4
59.01251	4.4
61.98697	0.5
64.12700	0.5
64.60596	0.5
69.03320	2.2
71.01241	1.8
71.58981	0.5
72.99160	1.1
75.00740	0.9
78.95779	4.8
79.86303	0.5
85.02824	1.4
87.00725	1.1
89.02297	0.7
93.03331	1.0
96.96829	1.5
97.02802	1.4
99.00748	0.8
100.26619	0.5
100.71131	0.5
101.02316	1.3
106.44168	0.5
108.02051	0.5
109.02849	1.2
109.05196	2.1
110.05982	1.5
111.04399	0.8
113.02320	1.4
118.06512	4.0
119.04899	1.2
121.05219	7.8
122.06042	3.5
123.06799	3.5
132.04449	0.6
134.03618	1.4
135.04404	1.6
137.02298	1.2
139.06210	1.2
141.01820	0.7
146.06013	21.7
147.03049	0.5
147.04330	0.7
147.06363	1.0
152.01031	1.5
153.01784	1.9
160.01611	0.7
161.02376	0.5
161.04640	0.6
163.03801	0.8
165.03964	1.3
168.06580	0.7
173.04413	1.7
175.03865	2.0
179.05719	1.4
185.00870	0.7
187.07603	0.6
191.05550	2.0
193.04919	1.7
199.08704	0.7
212.10699	3.0
213.10301	1.4
226.07362	2.1
226.12282	2.1
227.08212	16.8
228.08521	1.2
240.08772	0.6
241.09785	24.3
242.10461	6.1
243.11098	0.8
249.06046	0.8
253.09708	1.6
254.10492	1.2
255.11353	16.2
255.13965	1.0
256.11777	1.5
267.11368	2.0
268.12091	4.7
269.12915	7.0
270.13687	3.8
281.14072	0.6
285.12292	1.6
286.10031	0.8
286.13037	2.5
288.11105	2.2
300.11121	5.7
302.12671	4.5
314.12552	2.4
318.12152	2.2
326.28165	0.6
357.08817	2.2
380.19632	2.6
392.19693	8.0
393.20227	0.9
410.20831	2.5
424.18872	1.7
436.18750	7.2
437.18652	1.1
454.19815	100.0
455.20343	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	453.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	2.9
59.01251	100.0
60.01580	1.6
69.03328	4.7
71.01251	35.6
71.58121	1.8
71.58565	2.1
72.99182	5.9
73.02814	19.4
75.00745	5.6
83.01241	2.8
85.02815	12.5
87.00752	5.2
87.04387	1.8
88.02139	1.4
89.02313	35.6
93.03347	1.7
96.80222	1.5
96.95885	6.5
99.00719	2.3
101.02316	45.3
103.03892	13.6
108.02045	2.6
109.02818	3.1
112.56582	1.6
113.02317	9.1
115.03904	3.3
119.03381	16.5
125.02334	3.9
131.03381	8.7
137.02338	3.2
143.03392	12.7
145.04979	4.0
152.01042	2.2
153.01863	2.3
161.04417	3.9
163.06030	69.8
165.01831	24.0
169.57828	1.8
176.04346	1.6
179.05560	6.4
180.04138	14.5
180.33339	1.5
191.05522	2.7
195.04805	2.6
195.06570	42.6
196.06882	2.0
205.07094	21.6
206.96649	1.7
243.08557	2.5
247.11757	5.2
265.09442	7.8
307.06476	2.0
393.17596	38.0
394.18060	3.8
453.14236	2.2
453.19678	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	452.2779
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
52.23982	0.5
54.01396	0.4
61.89085	0.5
68.75288	0.5
78.95771	17.1
95.58267	0.5
95.92403	0.5
98.20662	0.9
103.86276	0.4
117.31022	0.4
122.00027	0.6
140.01086	5.5
152.99486	1.8
154.55394	0.6
196.03720	8.7
214.04753	2.3
226.60748	0.5
229.50409	0.6
231.02612	0.5
255.23254	100.0
256.23615	7.2
267.79932	0.6
452.27777	23.9
453.28061	2.2
453.33688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36273	0.1
58.02842	0.4
59.01246	2.4
67.01720	0.1
69.03323	0.3
69.36265	1.2
71.01250	1.0
72.99150	0.2
73.02825	0.7
75.00737	0.7
80.04926	0.5
81.03326	8.8
82.03667	0.2
83.01263	0.1
83.04892	26.1
84.05233	0.5
85.02822	0.8
87.00735	0.4
89.02325	0.8
93.03323	0.4
99.00761	0.2
99.04389	0.1
100.07558	0.3
101.02321	1.3
103.03889	0.4
107.06022	0.9
108.04441	1.1
109.02823	0.4
111.04400	0.1
113.02317	0.3
119.03378	0.3
119.04822	0.1
120.62463	0.2
123.04402	0.3
125.02296	0.2
125.07095	3.0
126.05521	0.6
127.03883	0.2
131.03383	0.3
135.04391	0.5
137.02325	0.3
139.00246	0.2
143.03404	0.2
143.08156	1.8
145.04971	0.2
149.02428	0.2
153.01793	0.2
155.03403	0.1
155.10687	0.1
157.13390	0.2
161.02327	0.2
163.06023	0.9
166.12379	0.1
173.04422	0.3
173.05807	0.1
174.04683	0.1
175.03905	0.1
177.01854	0.3
177.09193	0.1
179.03407	0.1
183.14999	0.1
187.03838	0.1
187.07521	0.5
188.07913	0.2
189.01917	0.5
190.02570	0.3
191.03778	0.2
191.05542	0.9
191.64134	0.1
192.05922	0.2
193.05983	0.4
203.06468	0.2
205.05072	0.2
205.07085	0.4
207.13136	0.2
207.14961	3.3
208.13374	0.3
208.15218	0.2
217.01358	0.4
224.07123	0.1
224.17622	4.8
225.16025	13.3
226.16440	0.7
231.10252	0.2
242.18704	1.9
257.08151	0.2
258.97662	0.1
268.16678	0.4
277.10791	0.7
289.07153	0.2
290.22345	0.4
295.66873	0.1
306.21704	0.3
307.23862	0.2
309.21808	0.7
324.26483	2.0
333.22916	4.9
334.23270	0.2
339.27704	0.3
341.06613	0.8
351.24081	1.1
367.27020	1.0
385.27997	0.6
433.31799	5.8
434.32071	0.5
451.32864	100.0
452.33179	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	451.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
62.96276	3.7
66.40418	0.9
69.25951	9.7
78.95772	5.4
80.97340	3.7
81.03328	3.6
83.04891	14.2
88.44923	1.3
94.71618	1.1
96.95900	2.1
129.68259	1.1
135.36479	1.1
148.99959	1.7
162.83868	1.5
294.26828	1.1
357.17355	2.3
387.18472	2.3
391.29623	34.6
392.30002	4.6
451.15396	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	451.1245
Annotation	Coatline B
Peak:m/z	Relative Intensity
55.01754	2.5
59.01252	14.1
64.13961	2.3
71.01263	4.4
73.02811	5.9
75.00731	3.7
83.01227	2.4
85.02815	6.9
87.00735	2.7
89.02321	2.8
93.03317	2.3
95.01268	3.0
96.95868	4.6
99.00758	12.1
109.02847	12.3
119.04889	2.7
121.02835	7.1
123.04391	21.5
125.02314	4.2
126.32717	2.0
133.02873	2.8
135.04434	32.0
137.05984	10.4
148.01546	9.5
149.02298	3.5
151.03931	26.2
161.02353	40.8
162.03137	3.8
163.03920	49.0
165.05460	5.3
167.03368	4.9
175.03860	2.6
179.03439	8.8
181.04982	8.3
190.02689	4.0
191.03447	55.4
191.05449	6.7
192.03758	2.7
193.04987	6.8
203.03452	3.6
207.02988	3.7
209.04509	84.5
210.04825	2.9
221.04497	27.0
239.05534	28.8
249.06096	2.4
251.05592	3.1
289.07053	5.0
313.07095	11.0
331.08224	100.0
332.08560	7.7
343.08051	5.9
361.09259	33.5
373.09399	5.4
407.14511	2.9
433.11453	3.3
451.12225	14.1
451.18146	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	451.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04415	0.7
59.01249	6.9
61.81920	0.6
67.01776	1.0
69.03316	1.2
69.92754	2.3
71.01250	4.3
73.02810	1.1
75.00738	0.8
81.03342	0.7
83.01241	0.9
83.06106	0.5
83.74275	0.5
85.02841	3.5
87.00756	1.4
89.02312	1.4
93.03336	3.2
94.03674	0.8
95.04884	1.7
97.02807	1.1
99.00750	1.1
101.02307	1.7
103.05457	0.7
108.02043	3.9
109.02837	24.9
111.00742	0.7
111.04363	0.7
111.72119	0.6
113.02355	2.0
117.03316	1.3
119.04907	1.2
121.02861	1.5
123.04414	11.8
125.02287	1.3
131.03389	1.1
132.02116	0.6
133.02846	7.4
134.03671	3.4
135.04434	3.3
137.02303	1.6
145.02835	1.4
147.04445	3.7
149.02335	1.6
150.03148	1.5
151.03929	5.8
152.01042	5.0
153.01849	0.9
159.04416	1.5
160.01588	0.8
161.02339	6.7
161.04454	0.8
162.03102	1.8
163.03757	1.2
173.04462	2.5
174.04831	0.9
175.03841	0.8
176.01009	1.0
177.01845	24.1
178.02258	1.1
179.03249	0.9
187.03914	1.4
189.01852	48.7
190.02608	11.4
191.03398	10.6
191.05496	3.6
194.02110	0.7
201.14841	2.1
203.03464	4.6
215.03398	0.6
216.00586	7.9
217.01366	33.3
218.01991	3.7
219.02939	12.9
220.03426	0.8
231.02931	11.9
231.10170	1.4
232.03606	1.4
232.10646	1.2
233.04575	0.7
233.10828	0.8
245.15399	1.0
269.04596	0.7
275.09122	2.8
276.09607	3.2
277.09879	4.8
289.07080	2.4
297.07779	0.9
304.14450	0.6
323.05484	1.7
341.06641	100.0
342.06931	8.6
354.09454	2.7
359.21301	0.6
391.23630	0.7
451.10287	24.2
451.15820	3.8
451.22186	2.3
451.28424	1.1
452.10629	3.4
474.24136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.8
59.01252	5.0
67.01765	0.5
69.03321	0.7
69.73677	0.4
70.98579	0.7
70.98925	1.0
71.00928	0.4
71.01257	2.8
73.02818	0.7
83.01271	0.6
85.02825	2.1
87.00735	0.6
89.02328	0.8
89.03860	0.5
93.03339	2.1
95.04887	0.5
101.02333	1.5
108.02061	1.5
109.02831	20.7
111.04378	0.7
113.02324	1.1
117.03403	0.8
119.03387	0.5
119.04905	1.3
121.02840	0.7
123.00826	0.9
123.04410	10.6
124.45869	0.5
125.02365	1.0
127.03928	0.6
133.02850	4.1
134.03651	2.0
135.04437	2.3
137.02342	1.6
137.55504	0.4
139.03848	0.8
145.02890	1.2
147.04408	2.6
149.02399	1.4
150.03140	1.1
151.03899	6.2
152.01086	0.7
153.01767	0.7
159.04434	1.3
159.78763	0.5
161.02373	7.5
162.03122	2.0
163.03896	2.0
165.01836	0.7
166.02589	0.7
173.02405	0.4
173.04506	1.8
174.04904	0.6
175.03889	1.1
176.01073	1.1
177.01849	25.3
178.02202	0.7
179.03316	0.6
187.03992	2.3
188.04614	0.9
189.01854	43.7
190.02611	10.3
191.03419	8.2
191.05511	4.5
192.05931	1.3
193.06119	1.1
201.01859	0.7
203.03415	4.4
203.10977	0.8
203.12881	0.5
205.05095	0.5
216.00565	6.6
217.01363	26.1
218.01945	2.6
219.02937	11.2
222.01656	0.6
227.06984	0.6
229.08699	1.0
231.02966	8.0
232.03638	1.1
232.05869	0.5
233.04443	0.8
259.08926	0.6
275.09351	0.7
276.09747	0.6
277.09866	1.3
279.06622	0.6
281.04504	2.8
282.37189	0.5
287.05612	0.7
289.07211	2.6
297.07623	1.6
299.05634	5.5
311.05630	0.6
323.05637	1.4
341.06635	100.0
342.06949	8.4
409.16937	0.6
421.29953	0.5
434.92163	0.5
451.10281	19.5
451.15787	0.8
452.10709	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	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99055	0.4
52.42765	0.3
59.01249	8.1
60.01575	0.9
61.01686	0.5
61.98700	100.0
67.01759	0.5
69.03327	0.7
69.67079	1.1
69.67484	1.4
71.01247	3.7
73.02823	0.8
75.00751	0.6
83.01247	0.4
85.02828	3.0
87.00755	0.9
89.02315	2.9
90.02660	0.6
92.40505	0.4
93.03321	2.5
99.16249	0.3
101.02325	2.4
102.02608	0.4
103.02803	0.6
109.02845	0.7
109.26807	0.4
111.00791	0.5
111.04433	0.5
113.02349	1.2
119.03395	1.1
119.04890	0.4
135.04428	0.9
137.02356	0.8
159.04468	0.5
161.02335	0.5
161.04454	0.5
162.04860	0.4
163.03952	0.5
167.03381	0.5
173.04459	2.3
175.82834	0.4
185.00800	0.6
187.07631	1.2
188.07927	0.9
191.05540	7.8
192.05879	3.1
202.06104	0.4
216.07452	0.8
231.10226	0.9
232.10570	1.5
244.06706	0.7
258.08640	0.7
259.75885	0.4
275.09412	0.6
276.06683	0.4
276.09586	1.6
288.06033	0.9
388.20740	1.1
389.20892	1.4
390.21042	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	449.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17020	0.3
59.01246	1.0
67.02242	0.4
68.20535	0.3
71.34558	0.6
78.95773	14.9
88.80486	0.3
101.20058	0.3
110.98407	10.1
132.40034	0.3
152.99539	0.3
167.01071	13.7
185.02115	2.5
212.05733	0.4
217.15152	0.4
238.66284	0.3
281.24838	100.0
282.25192	8.3
407.23035	0.4
449.26682	19.0
450.26880	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2538
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
59.01249	11.3
61.98697	0.5
64.40845	0.5
71.14413	0.5
71.29550	1.1
78.95771	4.8
83.61765	0.5
85.02833	0.4
89.02347	0.7
93.03359	0.6
96.95884	1.1
113.02334	0.6
116.92728	1.1
117.03332	1.5
121.02795	0.9
133.02844	19.7
134.03674	5.6
135.04410	33.2
136.04750	0.9
137.02357	2.9
139.03902	1.4
152.99480	8.1
161.02345	100.0
162.02695	6.4
162.83783	1.4
178.02646	0.9
179.03416	10.2
191.05606	0.8
211.52831	0.5
217.00116	0.6
269.21243	0.9
269.53024	0.5
287.22244	10.2
287.25220	0.8
288.22385	0.7
389.21890	0.7
431.24490	3.5
432.24399	0.7
449.25446	66.3
450.25696	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	449.1603
Annotation	8-Prenyllisetin
Peak:m/z	Relative Intensity
57.03314	3.2
59.01248	22.6
63.02262	2.1
65.00188	13.5
65.53644	1.0
71.01257	1.5
71.57893	1.3
73.02789	1.0
78.95761	3.6
83.01275	1.2
88.19392	1.1
89.02328	1.2
89.50279	1.1
93.03352	1.2
93.35573	1.0
96.95899	1.8
101.02325	1.2
107.04881	2.3
109.06477	5.2
113.02293	1.5
116.92741	3.2
121.02832	1.1
124.01566	9.2
125.09606	4.5
131.04898	1.4
131.08522	1.8
133.06473	25.4
135.04387	1.8
137.02332	1.5
146.03694	1.8
149.06023	1.5
149.09615	3.1
151.00302	1.3
151.07542	8.6
152.99486	5.5
159.04405	1.5
161.02330	2.1
162.83824	2.5
172.05209	12.1
173.05971	4.5
175.07550	9.0
176.01047	5.5
176.02380	1.0
185.05994	3.1
186.06708	3.1
187.07578	1.5
191.05429	1.1
191.07072	2.5
193.08618	34.3
194.09021	1.1
199.03972	3.5
199.07635	1.9
200.04709	44.5
200.08331	2.2
201.05316	4.2
201.09152	9.2
203.07062	1.7
204.04309	2.6
211.07573	1.8
211.13356	1.6
212.04733	2.3
212.13684	2.5
213.13760	1.5
215.07051	2.9
217.00224	1.3
217.04974	1.4
219.06555	64.4
220.06880	2.9
225.09161	1.7
227.07127	3.7
228.07794	2.3
229.08643	85.8
230.09004	5.2
237.07611	2.0
240.04062	1.4
255.06610	9.3
269.08221	1.5
275.09378	2.2
297.07806	1.7
303.96515	1.1
305.08191	1.3
309.04074	2.7
318.09134	1.4
321.04071	1.4
321.07654	1.2
333.04022	1.7
362.07745	1.4
377.10233	20.3
378.10571	1.8
392.12546	2.4
405.13068	5.0
431.14761	1.5
449.16046	100.0
450.16406	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	449.1499
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01245	50.6
62.96276	28.7
69.03327	3.3
69.26086	28.1
70.61710	2.7
71.01251	6.3
73.33669	2.3
78.95772	67.4
80.97340	30.3
85.02837	3.9
89.02304	5.1
93.03344	3.9
97.06451	2.6
98.20692	4.3
101.02313	4.5
113.02272	3.6
115.22986	2.4
122.70187	3.0
135.04413	2.9
148.99942	13.5
162.91774	2.6
173.04333	2.9
190.07327	2.4
191.05460	3.3
205.15907	5.6
223.13287	6.1
285.03885	3.4
299.05737	4.3
299.08923	2.7
355.16800	18.7
357.20432	3.6
385.17886	24.4
389.22003	3.8
449.14926	100.0
449.25031	8.6
450.15436	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	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.9
57.34700	0.6
59.00983	0.9
59.01254	11.5
61.98687	0.6
69.03335	1.0
69.48372	5.0
71.01257	2.6
72.99164	0.5
81.03325	0.8
85.02821	11.5
87.00744	7.4
89.02340	1.4
93.03339	6.4
101.02349	1.0
109.02866	1.6
111.04406	3.1
111.66259	0.7
113.02311	1.5
119.03416	0.6
119.04962	0.7
125.02383	0.8
127.03882	1.9
129.01836	0.6
130.97285	0.6
134.03667	1.0
135.00797	0.8
135.04424	0.7
146.03673	1.1
149.05980	1.1
151.07527	0.6
155.03404	4.0
155.10727	3.5
158.03650	0.7
159.04439	3.7
161.02274	0.9
171.02956	0.7
172.05220	3.7
173.01985	0.6
173.04465	9.8
173.05991	5.6
174.03114	1.8
174.04654	1.0
174.06737	1.3
175.03868	0.9
182.03677	0.7
183.04456	1.3
187.03963	5.3
187.07567	34.9
188.04611	1.0
188.07935	1.7
191.05537	100.0
192.05945	3.3
195.08025	0.7
197.06012	1.6
198.06714	1.5
199.04034	0.8
200.04709	2.3
201.05495	4.6
201.09174	0.6
202.06291	10.7
202.54669	0.6
203.06622	0.9
203.10686	1.2
204.56229	0.8
211.07555	0.7
213.09158	16.8
214.09502	0.6
215.07068	15.1
216.07648	1.9
227.03465	1.5
228.04199	1.7
229.08659	6.6
231.06810	4.4
231.10220	31.4
232.03706	0.9
232.10530	2.0
247.10037	0.7
257.08163	26.8
258.08496	1.3
258.55115	0.6
275.09253	42.6
276.09509	3.8
284.03149	0.8
285.03976	2.6
286.04108	2.2
287.04846	2.8
350.20551	0.6
389.21390	1.0
449.09427	2.8
449.15466	8.4
450.15106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13295	0.4
55.01770	0.5
57.03314	0.9
59.01252	5.8
60.99175	0.4
67.01756	0.7
68.99686	0.4
69.03326	3.6
71.01258	4.5
72.99191	1.3
73.02820	1.0
75.00744	4.2
81.03301	0.7
83.04909	0.5
85.02818	13.7
87.00745	3.7
89.02319	1.2
93.03329	7.3
93.03908	0.4
95.01264	1.7
97.02888	0.6
97.06494	0.4
99.00753	3.0
99.04359	0.4
101.02319	0.6
105.03337	0.9
109.02838	1.4
111.00754	0.6
111.04390	2.1
113.02324	4.7
117.01856	0.6
117.03349	0.6
127.03889	2.2
129.01837	0.6
133.02821	3.4
134.03635	5.0
135.04390	1.9
137.02332	0.8
139.11172	0.8
141.01877	0.3
141.22345	0.3
145.02808	0.4
155.03433	1.2
159.04381	0.4
161.02350	0.6
162.03107	0.9
166.75156	0.4
169.58542	0.4
172.05185	1.9
173.04475	5.7
173.05840	0.7
175.02373	0.4
177.01868	1.5
178.02583	1.1
183.04411	0.5
185.00853	2.0
187.03868	0.5
187.07556	10.1
187.62740	0.4
188.07982	0.4
189.52567	0.4
191.05530	100.0
192.05878	2.6
199.03943	1.1
199.13313	9.0
200.04590	0.4
202.06322	0.5
204.04268	0.4
213.09122	1.9
215.07088	1.7
227.03378	1.8
228.04199	1.9
229.08638	0.5
231.05045	0.5
231.10202	5.6
249.06125	5.6
257.08167	13.0
258.08533	0.8
275.09250	16.1
276.09592	1.2
386.49957	0.4
431.19095	0.9
449.14362	4.5
449.20154	25.6
450.20511	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.9
59.01248	11.3
64.84014	0.7
67.01750	0.6
69.03337	1.0
69.56311	4.5
71.01257	3.7
79.55555	0.6
83.04895	1.5
85.02334	0.9
85.02824	11.6
86.46345	0.7
87.00739	7.2
89.02313	1.6
93.03328	7.3
98.19923	1.4
101.02340	1.5
105.80882	0.6
109.02833	2.0
111.04411	4.0
112.04679	0.5
113.02298	1.0
119.03397	0.8
119.20701	0.7
127.03891	2.3
127.32256	0.7
135.04399	2.1
137.02312	0.9
146.03661	1.4
149.05965	2.0
151.07607	0.8
153.05093	0.6
155.03371	2.8
158.03635	1.2
159.04384	5.0
171.02873	0.8
172.05185	5.5
173.04462	9.3
173.05988	7.5
175.07495	1.4
179.05505	0.9
183.04446	2.2
187.03983	4.7
187.07573	43.9
188.07950	2.3
191.05540	100.0
192.05894	3.2
195.08134	0.8
197.06050	0.9
198.06786	1.0
199.04016	0.9
200.04703	3.3
201.05487	6.9
201.09155	0.9
202.06291	15.2
203.06732	1.0
203.10678	2.2
204.04219	0.7
211.07671	1.2
213.09154	11.7
215.07069	14.6
216.07761	2.1
227.03488	1.1
228.04256	1.2
229.08641	8.7
230.09212	0.9
231.06706	8.0
231.10196	33.1
232.10606	1.9
257.08151	13.9
257.10638	1.1
275.09241	63.5
276.09506	3.7
287.05518	0.8
329.05652	1.2
345.13461	0.9
389.21814	1.5
449.14529	8.8
450.14880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1101
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
59.01248	7.0
65.00195	6.8
69.58784	4.4
71.01257	1.6
83.01273	3.0
85.02831	2.7
87.00736	1.5
89.02332	1.0
93.03340	2.7
98.19740	0.6
107.01266	14.0
109.02821	3.3
111.00742	0.8
111.04373	1.3
113.02345	1.3
117.35744	0.6
121.02814	0.8
125.02316	4.2
126.02653	0.6
131.01248	1.1
133.02884	1.9
134.03653	1.2
135.04410	69.4
136.04755	3.6
137.02382	2.1
146.88733	0.5
149.02357	1.0
149.05653	0.6
151.00267	100.0
152.00632	3.5
155.03470	0.7
155.10695	1.7
159.04395	1.2
161.02316	1.6
165.01779	1.0
169.01344	2.3
173.04492	3.2
175.00276	7.9
177.01846	0.7
187.07576	3.1
191.05536	17.8
192.05968	0.6
193.01385	2.1
200.04755	1.0
201.05389	0.6
202.06352	1.3
213.09183	3.5
215.07127	2.4
229.08795	0.9
231.10272	2.7
257.08188	2.1
269.04288	1.0
274.59354	0.6
275.09225	3.3
284.03235	5.7
285.03900	18.0
286.04102	24.4
287.05560	83.8
288.05908	6.3
311.05786	0.6
449.09924	23.3
449.15527	1.2
450.10223	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	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22091	0.4
57.03336	2.4
58.00504	0.6
59.01305	33.8
60.01632	1.0
61.98760	5.4
63.02332	2.8
65.00254	3.4
67.01804	1.0
69.03378	0.6
69.64733	2.1
71.00893	0.8
71.01317	11.4
72.99228	0.5
73.02887	1.8
75.00811	0.5
81.03376	0.8
83.01243	3.5
83.04930	0.7
85.02818	8.1
87.00750	3.4
87.01243	0.3
89.01803	0.6
89.02310	11.3
93.03335	5.7
95.01331	0.9
97.02881	0.6
98.19664	0.4
99.00832	1.1
99.04462	0.8
101.02319	7.5
107.01267	5.2
109.02908	1.2
111.00782	0.6
111.04478	1.7
113.02334	5.4
113.98331	0.4
117.03339	3.2
118.96780	0.4
119.03391	5.3
119.04987	1.4
121.02895	0.9
123.04489	0.6
124.01628	1.9
125.02327	12.0
125.75842	0.4
127.03950	0.7
129.01823	0.9
130.91159	0.4
131.03372	0.9
133.02939	1.3
134.03673	1.2
135.04414	2.5
137.02419	1.3
139.00316	1.0
143.03448	1.1
145.02919	0.6
149.02386	1.5
149.04533	0.5
151.00261	15.2
152.01051	7.8
153.01933	0.8
155.03470	1.4
158.03760	0.6
159.04390	2.6
161.02415	2.2
161.04469	2.6
163.03967	1.0
165.01825	3.5
167.03456	0.5
169.00093	0.4
169.01373	2.2
169.02687	0.6
169.06487	1.0
172.05260	1.0
173.04530	6.5
173.06026	2.4
174.06793	1.2
175.07579	0.9
177.01949	0.5
177.05568	0.4
177.81911	0.4
178.99786	5.8
179.03323	0.5
179.05548	2.7
181.06458	0.8
183.04521	1.0
187.03969	0.8
187.07558	7.6
188.08354	0.6
190.02686	0.5
191.05527	31.9
192.05942	0.7
193.04964	0.7
197.06049	1.3
199.03995	0.5
200.04779	1.1
201.05510	1.5
202.06294	3.1
203.10773	1.6
213.09070	3.1
215.07071	4.2
216.07745	0.5
221.06581	0.5
225.05525	3.0
227.03360	0.5
227.16643	0.6
229.08713	1.2
231.10210	8.5
232.10638	0.6
240.04291	0.4
241.05008	0.8
243.06516	1.5
249.06097	0.6
252.58910	0.4
257.08179	3.2
259.06006	3.2
269.04526	100.0
270.04871	7.6
275.09229	13.0
276.09573	0.8
285.04144	1.0
286.04449	0.8
287.05618	7.1
287.18500	1.0
288.05887	0.6
299.05383	0.5
327.05029	0.8
328.05435	0.7
329.05692	2.1
359.06595	0.6
384.40109	0.4
388.20508	0.9
389.21661	6.2
401.12390	0.7
439.17059	0.5
449.10486	18.4
449.24164	2.4
450.10898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1089
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
57.03342	0.4
59.01245	4.1
63.02267	1.3
65.00193	9.8
67.01748	0.4
69.03346	0.5
69.38702	0.9
69.39108	2.2
70.07338	0.4
71.01271	0.9
81.03325	0.4
83.01247	4.5
83.73901	0.3
85.02838	1.1
87.00767	0.7
89.02309	0.6
93.03325	1.9
99.00800	0.3
101.02328	0.6
105.03330	0.5
107.01263	18.6
108.02139	0.5
108.99213	0.4
109.02833	1.5
111.04401	0.6
113.02316	0.7
124.07590	1.9
125.02324	3.8
133.02875	1.6
134.03665	3.9
135.04410	73.5
136.04752	3.1
137.02357	0.7
151.00267	100.0
152.00587	3.8
159.04437	0.5
161.02368	1.2
162.03198	0.8
164.01048	1.0
164.04604	0.4
165.01878	0.9
169.01350	2.0
173.04506	1.5
177.01921	0.7
178.02563	0.7
187.07634	0.5
191.05548	3.7
196.00005	0.4
203.10744	0.9
231.10236	2.2
257.03488	0.5
257.08282	0.5
269.04761	0.4
271.02570	0.6
272.02927	0.7
273.03006	0.7
275.09207	7.4
276.09506	0.6
287.05600	74.7
287.13916	3.2
288.05969	5.7
297.09833	1.0
300.02817	0.4
301.03149	0.6
302.03458	1.4
303.04135	0.6
329.10269	1.2
337.84637	0.3
366.06262	0.3
375.26672	0.5
449.10724	22.3
449.20746	0.6
450.11099	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	449.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	5.4
59.01254	10.0
61.98684	0.7
63.02254	1.6
65.00192	2.1
67.01741	0.6
69.03336	0.7
69.95226	1.2
69.95634	1.9
71.01260	6.0
72.99162	1.7
73.02808	1.1
75.00742	0.7
81.03316	4.4
83.01248	5.0
85.02832	5.8
85.96577	0.6
87.00734	0.9
89.02326	3.6
93.03333	6.0
95.01276	0.9
96.95914	0.9
97.02814	1.0
99.00739	1.1
101.02332	2.8
107.01259	4.9
108.02102	0.6
109.02820	2.2
111.00731	1.6
111.04377	0.7
113.02310	2.4
119.03387	1.6
119.04905	0.8
121.02813	1.4
123.00766	1.0
123.04400	1.7
124.01520	2.5
125.02341	38.2
126.02661	1.0
129.01793	1.1
131.01219	0.9
131.04939	0.9
133.02849	3.1
134.03671	0.8
135.04355	1.0
137.02310	1.9
137.09624	0.6
139.03928	2.1
145.02876	0.7
145.06453	0.7
149.02342	2.8
149.06055	0.8
151.00273	13.4
151.03960	0.9
152.01103	3.2
153.01823	5.0
155.03410	0.6
157.06429	0.9
158.03691	1.7
159.04430	1.6
161.04424	1.2
163.03886	0.7
165.01875	2.0
165.05463	0.6
167.03413	1.5
169.01382	3.7
172.05217	4.3
173.04462	1.4
173.05975	8.8
175.00311	2.2
175.03894	2.3
177.02060	0.9
177.05521	3.5
178.99785	17.4
179.03337	1.2
181.01305	2.3
187.07597	1.9
188.08046	0.8
191.05527	2.7
199.07646	1.2
201.05463	2.4
205.03395	1.0
207.13942	0.6
210.53154	0.7
215.07098	12.2
219.06616	0.8
223.04614	1.4
241.05000	1.7
243.06593	5.4
244.06978	0.8
245.33359	0.7
249.05934	0.7
251.12927	1.2
255.06511	0.9
259.06097	100.0
260.06476	7.3
269.04581	2.1
273.07651	1.7
275.09354	2.9
283.06140	19.2
284.06433	1.0
287.05609	58.4
288.06000	3.7
301.07175	8.4
302.07544	0.9
311.05536	1.6
313.07190	3.1
329.06686	1.4
341.04926	1.1
343.06906	1.0
421.11420	15.6
422.11719	1.7
431.18967	0.9
449.10938	6.2
449.20306	15.2
450.20587	0.9
462.87479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
57.03322	3.5
59.01249	14.3
60.01577	0.5
61.98701	0.7
67.01743	0.4
68.28389	0.3
69.03308	0.8
69.47624	2.2
69.48024	0.7
71.01257	4.2
71.04887	1.0
73.02805	0.6
79.24831	0.4
81.03328	15.4
83.01265	3.9
83.04903	0.7
85.02811	2.3
87.00755	0.6
89.02313	3.3
93.03327	2.7
95.01276	0.9
95.04896	7.2
97.02835	4.6
97.03857	0.3
99.04393	13.4
100.04755	0.4
101.02333	2.3
104.59343	0.4
105.03348	0.5
108.02052	0.7
109.02827	1.4
111.04381	2.2
113.02312	1.5
117.03350	12.2
118.03697	0.4
118.60721	0.4
119.03391	1.3
121.02856	0.6
121.07323	0.4
123.04417	5.8
124.01537	0.5
125.02338	36.0
126.02645	0.7
129.01874	0.5
135.04405	1.6
137.02345	6.2
139.03925	3.4
149.02356	1.1
151.00266	0.5
151.03896	1.0
155.03395	0.9
159.04460	0.8
160.01643	0.5
161.02316	3.2
161.04405	0.5
163.03964	0.8
164.01079	0.5
165.01820	1.2
165.05424	0.4
167.03412	100.0
168.03790	3.8
173.04463	1.6
173.05946	0.8
179.03391	3.0
179.05533	0.6
187.07602	2.8
191.03615	0.5
191.05563	3.3
192.00577	0.7
193.01329	1.2
197.04504	22.7
198.04825	1.2
202.06339	0.7
203.10724	0.5
209.04462	1.7
213.09111	0.4
227.05676	0.4
231.10272	1.5
235.02464	5.0
235.58778	0.3
251.05716	0.4
265.03384	0.9
269.06628	1.4
275.09290	5.7
287.07831	6.9
288.08014	0.5
329.06647	16.1
330.07050	1.2
341.06738	0.5
351.25870	0.4
359.07803	2.6
359.11530	0.4
389.21909	1.7
431.10049	0.5
449.10760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22091	0.4
57.03336	2.4
58.00504	0.6
59.01305	33.8
60.01632	1.0
61.98760	5.4
63.02332	2.8
65.00254	3.4
67.01804	1.0
69.03378	0.6
69.64733	2.1
71.00893	0.8
71.01317	11.4
72.99228	0.5
73.02887	1.8
75.00811	0.5
81.03376	0.8
83.01243	3.5
83.04930	0.7
85.02818	8.1
87.00750	3.4
87.01243	0.3
89.01803	0.6
89.02310	11.3
93.03335	5.7
95.01331	0.9
97.02881	0.6
98.19664	0.4
99.00832	1.1
99.04462	0.8
101.02319	7.5
107.01267	5.2
109.02908	1.2
111.00782	0.6
111.04478	1.7
113.02334	5.4
113.98331	0.4
117.03339	3.2
118.96780	0.4
119.03391	5.3
119.04987	1.4
121.02895	0.9
123.04489	0.6
124.01628	1.9
125.02327	12.0
125.75842	0.4
127.03950	0.7
129.01823	0.9
130.91159	0.4
131.03372	0.9
133.02939	1.3
134.03673	1.2
135.04414	2.5
137.02419	1.3
139.00316	1.0
143.03448	1.1
145.02919	0.6
149.02386	1.5
149.04533	0.5
151.00261	15.2
152.01051	7.8
153.01933	0.8
155.03470	1.4
158.03760	0.6
159.04390	2.6
161.02415	2.2
161.04469	2.6
163.03967	1.0
165.01825	3.5
167.03456	0.5
169.00093	0.4
169.01373	2.2
169.02687	0.6
169.06487	1.0
172.05260	1.0
173.04530	6.5
173.06026	2.4
174.06793	1.2
175.07579	0.9
177.01949	0.5
177.05568	0.4
177.81911	0.4
178.99786	5.8
179.03323	0.5
179.05548	2.7
181.06458	0.8
183.04521	1.0
187.03969	0.8
187.07558	7.6
188.08354	0.6
190.02686	0.5
191.05527	31.9
192.05942	0.7
193.04964	0.7
197.06049	1.3
199.03995	0.5
200.04779	1.1
201.05510	1.5
202.06294	3.1
203.10773	1.6
213.09070	3.1
215.07071	4.2
216.07745	0.5
221.06581	0.5
225.05525	3.0
227.03360	0.5
227.16643	0.6
229.08713	1.2
231.10210	8.5
232.10638	0.6
240.04291	0.4
241.05008	0.8
243.06516	1.5
249.06097	0.6
252.58910	0.4
257.08179	3.2
259.06006	3.2
269.04526	100.0
270.04871	7.6
275.09229	13.0
276.09573	0.8
285.04144	1.0
286.04449	0.8
287.05618	7.1
287.18500	1.0
288.05887	0.6
299.05383	0.5
327.05029	0.8
328.05435	0.7
329.05692	2.1
359.06595	0.6
384.40109	0.4
388.20508	0.9
389.21661	6.2
401.12390	0.7
439.17059	0.5
449.10486	18.4
449.24164	2.4
450.10898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03312	2.7
59.01248	21.7
60.01582	2.0
61.01668	2.3
61.98700	100.0
65.00178	0.7
71.01249	6.4
71.57098	0.7
71.57505	0.8
72.01576	1.1
73.02853	0.8
81.03329	1.5
83.01270	1.0
85.02840	2.2
86.03150	0.5
87.00761	1.2
89.02303	5.1
90.02654	0.8
91.01791	2.0
91.02757	1.0
92.02103	0.6
93.03339	1.3
95.71086	0.5
97.02826	0.7
97.80734	0.5
99.04356	0.8
101.02322	3.2
102.02672	1.2
107.01248	0.8
107.04988	0.6
109.02840	1.1
111.04431	0.7
113.02332	2.0
114.02689	0.8
117.03377	0.7
119.03397	1.7
121.02856	0.6
121.03821	0.5
123.04398	0.7
125.02331	16.5
133.02834	0.7
135.00748	3.0
135.04417	1.4
136.01111	1.1
137.02328	1.1
138.06781	0.6
142.00621	0.6
149.02351	2.0
151.00264	4.0
151.03983	0.6
152.00958	0.8
152.08203	1.1
153.01820	3.4
153.09091	2.4
154.02220	0.9
154.09433	2.1
155.03372	0.7
155.09698	0.6
158.03668	0.6
159.04449	1.5
161.04468	1.7
162.04803	0.8
163.04968	1.1
167.03400	4.7
169.01379	0.6
172.05235	0.5
173.04506	1.9
173.06010	1.5
178.99789	3.0
179.03394	1.3
179.05649	1.0
181.06094	0.5
184.06868	0.5
187.07579	3.9
191.05537	3.8
192.10036	0.5
197.04495	1.3
197.06119	0.7
202.06284	0.9
205.12370	0.6
206.12608	1.0
215.07228	1.2
223.08144	0.5
223.13155	0.6
224.13614	1.2
225.13896	0.7
226.14368	0.8
231.10144	1.4
243.06593	1.3
259.06082	14.0
269.04535	12.4
275.09232	9.5
282.18326	0.6
287.05548	11.9
329.06784	2.3
339.07794	0.6
340.07513	0.9
388.19724	3.3
449.10696	12.0
449.24084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51134	0.9
54.46288	0.8
59.01249	100.0
61.98700	2.5
67.59715	0.8
69.03321	1.5
71.01250	10.3
71.56939	1.0
71.57331	1.1
72.99156	1.1
73.02806	1.8
74.63711	0.8
83.01277	1.0
85.02812	2.9
86.93793	0.9
87.00718	1.3
89.02304	12.4
94.91399	0.8
95.01258	1.0
97.01048	1.2
99.00748	1.4
101.02316	7.2
113.02324	4.6
119.03391	4.3
119.47004	0.8
131.03410	1.0
135.04431	1.3
137.02327	2.0
138.01816	1.8
141.00058	1.4
143.03375	1.6
143.04488	1.3
161.04468	2.9
173.02696	2.0
174.03056	1.3
179.05510	3.0
189.86954	1.2
191.05508	2.0
297.62646	1.0
323.37640	1.1
343.75723	0.9
387.20151	1.3
405.21155	1.1
447.22528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47370	0.5
50.96191	0.4
56.68307	0.4
57.03318	1.3
58.00493	0.6
58.23215	0.5
59.01247	100.0
60.01579	1.0
61.98714	1.1
64.58487	0.6
69.03333	0.7
69.67222	3.1
70.00703	0.5
71.00842	0.8
71.01246	15.1
72.99194	1.0
73.02822	5.0
83.01270	1.8
85.02824	5.5
87.00735	1.3
89.02309	11.6
89.02820	0.8
91.01787	1.5
95.01270	1.4
98.20466	0.9
99.00755	1.8
101.02315	7.8
108.02077	0.7
109.02852	1.3
113.02328	7.1
119.03385	5.2
119.04748	0.6
123.00775	1.1
123.04395	0.6
123.08053	0.8
124.01568	0.5
125.02355	1.9
135.00761	3.2
135.04449	0.8
137.02364	0.7
143.03427	2.1
149.02396	0.8
151.03914	0.7
153.01866	1.9
155.07121	0.6
159.02956	1.5
161.04462	7.5
164.04784	0.5
165.01871	0.5
173.04501	0.6
179.03465	0.6
179.03970	0.8
179.05515	6.6
179.06952	0.6
181.05107	0.7
191.05563	2.5
196.07385	0.9
198.06746	0.6
207.13873	1.7
211.09671	0.5
225.14952	1.8
255.27962	0.5
270.30753	0.6
285.04153	1.7
290.22672	0.5
327.05142	0.8
387.20578	1.7
447.09161	0.8
447.14600	0.7
447.23105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53939	0.4
57.00618	0.4
59.01255	9.9
59.31493	0.4
61.85320	0.5
62.94689	0.4
69.03324	0.4
71.01245	3.5
73.02826	0.8
85.02821	0.8
87.00748	0.6
89.02321	3.6
95.01265	0.5
95.40619	0.4
96.95914	1.1
101.02330	4.8
107.11419	0.4
113.02348	1.9
119.03368	1.0
133.02873	0.6
135.04404	0.4
160.84158	1.9
161.02345	1.5
161.04469	1.1
167.14296	0.6
183.13835	6.1
184.14244	0.4
193.12302	1.7
198.82643	0.4
201.02527	0.5
211.13345	100.0
212.11832	0.6
212.13689	5.6
253.09265	11.8
256.27985	0.4
284.03333	4.8
285.04037	9.1
286.04401	0.7
327.05179	0.9
338.50079	0.4
387.20163	1.2
447.09384	5.7
447.22589	1.2
447.31186	1.7
448.09634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67304	0.4
55.01771	0.8
58.00482	0.4
59.01247	100.0
60.01586	0.7
61.05802	0.4
66.49194	0.4
69.03326	0.5
70.93610	0.9
71.01247	8.4
73.02816	4.4
75.00751	1.3
83.01260	1.5
85.02824	3.9
87.00742	1.0
89.02319	3.1
91.01780	1.3
95.01264	1.0
96.95969	0.4
97.11569	0.5
99.00779	1.3
101.02314	7.8
108.02055	1.7
109.02877	0.7
109.06420	0.4
113.02315	4.1
119.03364	1.0
123.00732	0.6
129.33113	0.4
135.00784	1.3
137.02298	0.8
143.03430	0.5
149.04427	0.5
151.00235	0.6
152.01067	2.0
153.01837	0.6
161.04497	3.1
165.12764	4.5
173.04460	0.5
178.17773	0.5
183.13811	11.2
184.14084	0.4
197.39803	0.4
199.13376	2.0
209.11772	0.7
211.13312	20.6
212.13710	1.0
225.15060	1.1
227.03561	0.4
227.12859	2.5
237.09808	0.5
243.06580	8.6
243.10219	0.5
248.93420	0.5
253.04982	0.5
253.09207	2.8
284.03241	6.5
285.04016	12.5
285.12384	0.8
301.19977	0.5
327.17993	3.5
345.19135	10.3
345.23077	0.8
346.19659	0.9
387.20215	7.1
388.20615	0.9
405.21204	2.4
447.09268	9.1
447.22336	15.3
447.28735	0.8
448.09613	1.2
448.22742	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	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41327	0.2
59.01247	0.8
62.96279	1.2
69.37972	0.7
69.38394	0.9
77.94556	0.2
78.95777	43.2
83.56225	0.2
96.96851	2.8
133.02943	0.2
149.00005	20.4
150.00395	0.4
151.01558	0.2
152.99535	0.6
157.35712	0.2
158.92480	1.8
163.40251	0.2
164.83528	0.2
172.82683	0.2
179.01073	2.9
205.15909	1.8
211.13306	1.2
213.81606	0.2
227.57149	0.2
240.96674	0.4
253.09273	0.2
284.03220	0.8
285.03989	1.4
297.32455	0.2
317.46707	0.2
347.08200	0.4
359.15488	0.2
367.17072	0.3
417.12473	1.1
431.10291	2.7
432.10544	0.4
437.88876	0.2
447.13437	100.0
448.13779	9.6
464.10245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60072	0.1
59.01250	5.2
63.02277	0.2
63.09093	0.2
65.00189	0.6
69.03304	0.2
71.01257	0.9
73.02837	0.3
80.02548	0.8
81.03321	0.3
83.01270	0.2
85.02822	0.5
89.02314	0.7
91.01770	14.6
92.02110	0.3
93.03345	0.3
95.01262	1.0
97.02789	0.2
99.00768	0.2
101.02315	0.6
107.01249	0.4
107.04910	0.5
108.02054	20.4
109.02863	4.1
111.00745	0.2
113.02341	0.4
121.02840	1.0
123.00774	6.4
123.18121	0.2
124.01532	0.6
126.77716	0.2
128.16257	0.2
133.02840	0.4
135.00780	15.3
136.01152	0.5
137.02357	3.4
149.02328	0.5
151.00267	0.4
152.01064	18.4
153.01498	0.5
161.04495	0.2
169.06488	0.4
173.04529	0.2
175.03864	0.2
197.06047	1.3
199.07564	0.9
211.13379	0.9
213.05496	1.3
215.07089	0.7
225.05508	0.6
241.04945	0.5
243.06599	100.0
244.06935	6.8
252.04349	0.5
256.03595	0.3
267.06744	0.2
284.03278	2.3
285.04062	5.2
286.04355	0.3
300.02594	0.3
301.03177	0.5
302.03525	0.6
303.04224	0.5
327.05008	0.4
338.37534	0.2
358.56784	0.2
387.10934	0.3
387.20294	0.5
447.08646	1.9
447.13074	2.5
448.13821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1299
Annotation	Homobutein 4-glucoside
Peak:m/z	Relative Intensity
57.03329	1.2
58.52649	0.5
59.01254	16.3
65.00201	0.8
65.03830	1.6
67.01756	1.1
69.03313	1.8
71.01256	6.4
71.08460	0.9
71.08820	1.4
72.99182	1.1
73.02812	2.4
75.00743	1.0
82.58987	0.5
82.96907	0.5
83.01250	1.1
85.02823	3.3
87.00752	1.9
89.02339	3.0
91.01772	35.6
92.02100	1.4
93.03346	1.2
94.99900	0.5
95.01231	1.4
99.00769	0.8
101.02321	3.9
103.63426	0.6
107.01237	0.9
107.04897	0.7
108.02039	4.0
109.02837	15.7
111.88202	0.6
113.02306	3.5
115.86947	0.5
119.03397	0.8
121.02858	2.5
123.00764	1.4
124.01538	1.7
125.02351	1.0
129.01828	0.7
133.02861	5.6
135.00778	72.2
136.01183	2.4
137.02332	7.5
145.02864	0.9
147.04434	0.6
148.01552	1.3
149.02319	1.8
151.00288	2.0
152.01067	1.4
153.01845	46.9
154.02235	1.1
159.02928	0.7
161.02345	4.9
161.04469	2.6
167.10648	0.6
175.03918	2.6
177.01855	1.2
183.13834	4.3
185.05901	0.7
186.06689	1.0
193.12308	1.2
197.05975	1.4
199.03944	1.8
199.07544	0.8
201.05516	0.6
202.06308	0.6
211.03899	2.1
211.13341	58.1
212.13692	2.2
213.05499	1.0
214.06297	1.2
222.72101	0.6
225.05518	2.4
225.14882	0.7
226.06305	3.0
227.03474	2.5
241.04976	2.8
241.13406	1.6
242.05823	1.3
243.06595	10.8
244.06909	0.7
246.46732	0.5
252.04318	0.9
253.05009	1.7
253.09354	6.4
255.02968	6.6
256.03546	1.4
267.06897	0.8
268.03928	0.9
269.04474	3.6
270.05325	100.0
271.05728	7.8
279.05154	1.1
279.51270	0.6
283.06009	0.7
284.00894	0.5
284.03281	16.0
285.04074	34.3
285.07678	91.8
286.04446	2.8
286.08017	6.2
299.05420	0.9
327.05087	2.8
339.07193	21.4
340.07397	1.3
357.05988	0.6
387.20200	0.9
388.30222	0.6
429.08035	1.3
447.08682	17.2
447.22519	2.6
448.09161	1.4
464.79303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	20.0
63.02264	1.1
64.82015	0.5
65.00182	1.3
69.03316	0.6
70.06661	1.1
70.07054	1.4
71.01252	4.5
72.99162	0.9
73.02805	2.0
74.54282	0.4
77.77789	0.5
83.01266	1.7
85.02814	2.7
87.00705	1.1
89.02309	1.5
89.06338	0.5
91.01782	0.5
93.03326	1.6
95.01247	0.8
98.19951	0.9
101.02308	3.1
107.01260	4.3
108.02036	1.8
109.02832	4.7
113.02296	2.2
119.03353	0.8
121.02831	3.5
123.00764	1.9
123.04376	0.8
124.01593	2.5
125.02266	0.6
133.02847	4.8
135.00813	0.8
135.04382	0.9
136.01559	1.5
137.02367	2.9
139.03813	0.6
145.02780	1.2
145.58215	0.5
146.03636	0.7
148.01579	2.3
149.02322	1.6
149.04358	0.6
149.99547	0.6
151.00267	12.4
153.01801	0.7
159.04420	0.6
161.02379	2.6
161.04453	0.8
163.00258	3.5
163.03909	0.5
164.01010	0.5
165.12759	0.5
169.01335	1.1
173.04446	1.1
173.05841	0.5
175.03937	0.9
177.01874	0.6
178.99776	5.8
183.04390	0.8
185.05814	0.9
185.09531	0.6
187.03923	1.0
191.05493	2.5
197.05988	0.8
198.03119	0.8
199.03957	2.7
200.04604	0.7
201.05544	0.8
211.03893	2.8
211.13298	2.1
213.05551	1.8
215.03407	0.6
217.04994	0.7
224.04855	0.5
225.05472	2.1
226.02695	1.7
226.06233	1.8
227.03429	5.5
229.04955	0.7
229.08682	0.8
239.03412	0.6
241.05077	5.1
242.05792	1.2
243.02936	4.7
243.06497	1.0
245.04465	2.1
252.04292	0.8
253.04996	1.9
254.02101	2.1
255.02966	17.0
256.03473	2.7
257.03635	0.8
268.09763	1.7
269.04547	9.1
270.05313	94.8
271.02444	19.0
271.05609	6.9
272.02829	2.9
273.03738	1.9
283.02444	1.9
283.05811	0.6
284.03259	15.5
284.06522	1.0
285.04028	37.1
285.07642	100.0
286.04410	2.8
286.07999	7.8
297.04065	0.9
299.01843	1.3
299.05280	0.9
300.02716	21.3
301.03488	52.5
302.03729	6.4
303.04037	2.1
327.05145	2.8
327.08658	0.6
335.12402	0.6
385.33493	0.5
387.20282	1.2
419.85532	0.6
429.08014	1.4
447.08478	31.4
447.26172	0.7
448.08917	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Quinquangulin 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01319	2.4
69.28023	2.8
71.01323	0.7
73.02889	0.3
79.63864	0.3
80.02613	0.4
84.27721	0.2
84.38358	0.2
85.02896	0.6
89.02368	0.6
93.03426	0.8
95.01317	0.6
101.02372	0.4
108.02049	4.6
109.02943	0.9
113.02387	0.6
121.02940	0.5
123.00767	1.6
124.01584	1.5
125.02390	0.3
126.49562	0.2
133.02954	0.9
135.00879	0.3
136.01549	1.8
137.02368	2.0
145.02879	0.5
146.03633	0.4
146.16452	0.3
148.01535	1.3
149.02339	0.3
151.00288	0.3
161.02325	1.9
172.05232	0.3
175.03999	0.4
176.16254	0.3
183.13824	0.4
185.06020	0.3
186.06874	0.5
197.06097	0.8
198.06746	0.4
199.03995	0.9
199.07588	3.1
200.04758	0.3
202.06282	0.4
211.03951	0.9
211.13298	4.8
213.05547	1.0
214.06302	0.6
224.04790	0.9
225.05576	1.1
226.06323	1.5
227.03423	1.7
241.04965	2.5
242.05711	1.0
243.06531	1.5
252.04300	0.7
253.05141	1.9
253.09169	0.4
254.05437	0.4
255.02962	5.5
256.03494	0.5
269.04510	3.6
270.05310	97.9
271.05667	8.1
271.07950	0.2
284.03223	1.9
285.07645	100.0
286.04935	0.4
286.07993	7.1
425.55365	0.3
429.07983	0.4
446.65472	0.3
447.07635	0.8
447.12637	4.4
447.22107	0.6
448.13531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73726	0.2
59.01248	5.5
65.00171	0.6
65.03850	0.3
68.97331	0.2
69.03320	0.5
70.15751	0.4
70.16165	0.8
70.93285	0.2
71.01246	1.2
73.02794	0.2
80.02534	0.4
81.03332	0.3
85.02782	0.5
89.02304	0.4
91.01766	14.4
92.02086	0.4
95.01246	1.0
98.19830	0.3
99.00723	0.3
101.02326	1.0
104.67325	0.3
107.04912	0.9
108.02048	19.7
109.02850	8.1
110.03181	0.3
111.00743	0.3
111.01495	0.2
113.02306	0.6
121.02832	0.9
123.00755	6.3
124.01515	0.8
125.02310	0.3
133.02875	0.4
135.00769	15.7
136.01108	0.5
137.02351	3.4
149.02333	0.8
150.70636	0.2
151.00220	0.4
152.01051	17.5
153.01843	8.3
154.02104	0.2
161.02373	0.4
161.04428	0.3
165.01840	0.2
165.12654	0.3
167.03345	0.5
169.06476	0.4
175.04037	0.3
195.02943	0.7
197.05962	1.3
199.07550	1.3
211.13312	1.6
213.05594	1.3
215.07065	0.7
225.05481	0.3
231.02986	0.4
241.05016	0.3
243.06583	100.0
244.06927	6.7
256.03830	0.3
270.05109	0.3
279.05069	1.8
284.03271	2.3
285.04044	4.1
285.07281	0.4
297.06110	2.7
298.06552	0.3
339.07138	0.5
387.20206	0.7
447.08844	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83136	0.1
59.01254	3.4
63.02270	0.2
64.38435	0.2
65.00201	0.9
65.03832	0.2
69.03339	0.4
70.65523	0.3
70.65857	0.2
71.01273	0.3
77.03860	0.1
80.02115	0.1
80.02541	0.6
81.03334	0.3
85.02824	0.2
89.02317	0.2
91.01772	17.2
91.54771	0.1
92.02097	0.5
93.03350	0.2
95.01267	1.0
97.02822	0.5
101.02341	0.3
107.01278	0.5
107.04881	0.8
108.02055	22.6
109.02868	4.8
111.00715	0.1
113.02311	0.3
113.14680	0.1
121.02856	1.1
123.00777	6.9
124.01623	0.8
125.02350	0.3
133.02859	0.5
135.00781	16.7
136.01146	0.4
137.02344	3.6
149.02356	1.1
151.00279	0.5
152.01062	20.5
153.01390	0.8
164.00858	0.1
165.01897	0.1
169.06508	0.2
177.01863	0.5
183.13942	0.2
186.26732	0.1
191.03365	0.2
197.06061	1.7
199.07616	0.5
211.13379	0.9
213.05493	1.3
215.07059	0.9
216.07475	0.1
223.14798	0.1
225.05550	0.4
241.05051	0.4
242.05812	0.5
243.06607	100.0
244.06946	7.4
256.03769	0.2
279.23199	0.6
284.03259	1.8
285.04044	3.3
286.04318	0.2
296.97412	0.1
327.04984	0.4
387.10898	2.6
387.20261	0.4
388.11060	0.3
405.11902	0.7
447.08533	1.0
447.12967	2.6
448.13382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1298
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02261	0.8
54.47005	0.3
55.01747	0.6
59.01250	5.9
67.01743	0.4
68.99718	0.3
69.03327	76.3
69.95075	1.2
69.95486	0.6
70.03677	1.2
71.01254	0.6
73.02818	0.4
79.01756	9.5
81.03335	3.8
83.01275	1.0
84.38276	0.3
85.02380	0.3
85.02814	1.6
89.02316	0.4
89.53226	0.4
93.03355	0.8
95.01266	6.8
95.01826	0.7
97.02831	42.3
98.03180	0.9
101.02328	0.4
107.01272	45.7
107.04922	0.4
108.02080	10.1
109.02839	3.5
109.80080	0.3
113.02332	0.8
119.04977	0.4
121.02845	3.2
122.03625	0.6
123.00775	10.5
123.04398	0.7
125.02341	100.0
126.02662	3.3
131.08281	0.3
133.02873	1.9
134.03629	0.8
135.00778	44.0
135.04434	1.3
136.01631	3.9
137.02347	1.9
139.78339	0.4
145.02884	0.5
145.05037	0.5
149.02373	2.0
151.00276	76.9
152.01074	18.5
153.01851	5.2
161.02415	0.6
163.03918	4.9
165.01912	1.0
169.63168	0.3
171.96477	0.4
175.03979	0.6
177.01859	9.5
178.02281	0.4
191.03406	0.4
197.06073	1.5
198.06699	0.8
207.02957	0.7
218.28131	0.3
225.05539	1.2
242.05824	91.3
243.06567	47.7
244.06973	3.5
255.06795	0.7
284.03268	2.5
285.04105	4.9
285.07730	3.2
286.08093	0.4
297.07864	0.9
339.07245	4.5
340.07474	0.6
387.10733	1.7
447.13171	32.7
448.13574	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	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14658	1.7
52.47673	2.0
57.03326	2.8
59.01248	94.8
61.98689	2.4
62.28823	1.7
68.56556	1.8
69.03324	6.3
71.01247	21.0
71.53976	3.9
73.02826	4.3
74.04054	2.1
81.03346	2.1
83.01253	4.9
85.02814	6.1
87.00735	3.4
89.02316	20.3
89.28204	2.0
95.01247	3.6
97.02837	6.3
101.02324	6.7
113.02308	7.9
119.03316	2.0
119.22276	2.0
121.02837	2.5
123.00758	9.7
123.04392	3.3
124.01569	12.7
125.02330	100.0
126.02647	2.7
129.01817	2.1
133.04945	10.7
133.59433	1.9
135.04378	2.4
137.02333	2.2
137.09660	3.8
138.01813	2.7
139.41953	2.4
141.01823	2.6
143.03421	2.7
149.02359	2.9
151.00273	8.2
151.03909	2.9
153.05490	7.7
154.01315	2.3
161.04433	8.7
167.03352	3.0
169.01326	44.5
173.02701	2.4
173.04349	1.8
179.03351	2.4
179.05435	1.9
191.05544	2.8
225.14844	4.7
269.06668	4.3
285.03934	3.1
287.07684	5.2
350.10028	2.2
387.20267	8.3
397.58725	2.0
447.11380	58.0
448.11545	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	447.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	0.4
59.01241	2.4
62.18071	0.4
65.03822	0.5
69.03331	3.3
71.01254	6.2
71.44789	0.9
81.03317	1.2
83.01258	2.0
85.02839	1.3
87.00768	3.8
87.04411	0.6
89.02307	6.2
95.01255	2.0
97.02837	4.7
97.31210	0.4
97.62885	0.5
107.01283	1.6
107.13321	0.5
108.02058	1.0
109.02826	4.8
113.02335	1.0
121.02837	1.3
123.00768	10.1
123.04414	0.9
124.01550	25.1
125.02335	66.6
126.02686	1.6
133.04962	15.1
136.01543	0.9
137.02330	6.5
149.99487	39.0
151.00310	3.5
153.01810	3.1
161.02390	0.7
165.01851	0.7
167.03384	1.0
168.00551	66.1
169.01332	8.4
179.03391	1.3
195.02657	0.4
201.49916	0.5
211.02457	0.6
269.06729	0.8
279.49118	0.5
287.07419	0.6
313.05621	13.0
314.06067	1.1
329.74323	0.5
331.06641	1.4
337.95621	0.6
429.10211	0.7
430.82498	0.6
447.11407	100.0
448.11746	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	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26188	0.1
59.01254	3.7
63.02269	0.7
65.00195	1.4
73.02808	0.2
75.00728	0.2
79.80675	0.1
83.01276	0.8
85.02820	0.6
87.00738	0.3
89.02302	0.4
93.03358	0.3
95.01273	0.2
97.02843	0.2
99.00771	0.2
101.02325	0.6
103.87395	0.2
107.01279	2.3
109.02839	0.4
113.02304	0.5
115.91979	0.3
116.92748	1.3
117.03386	0.3
119.04890	0.1
121.02802	0.7
123.00797	0.2
125.02310	0.3
132.02109	0.2
133.02850	7.9
134.03706	0.3
135.00853	0.2
135.04320	0.2
136.98643	0.9
137.02327	0.2
139.00250	0.3
143.04948	0.2
145.02840	0.5
147.04413	0.1
148.01529	0.2
149.02332	1.9
151.00281	6.2
152.00621	0.2
153.01910	0.2
159.04555	0.2
161.02351	0.4
161.04443	0.2
161.82817	0.1
163.00323	0.4
163.03871	0.2
165.01810	0.7
167.03365	0.3
167.04921	0.2
167.81348	0.1
169.01364	0.5
169.06531	0.2
171.04462	0.5
173.04492	0.2
175.03928	2.5
177.01819	0.3
179.05547	0.2
183.04478	0.3
184.05135	0.3
185.05956	0.5
187.03941	0.6
189.05521	0.2
191.05579	1.1
192.00549	0.2
195.04514	0.2
197.06020	0.5
198.03119	0.3
199.03920	2.5
200.04576	0.3
201.01846	1.0
211.03926	0.7
211.13312	0.5
212.04691	0.5
213.05528	1.1
214.02536	0.2
215.03410	0.5
216.03702	0.1
217.04993	1.3
223.03976	0.2
226.02617	0.1
227.03438	1.1
228.04089	0.3
229.05055	0.8
239.03424	0.5
240.04256	0.5
241.05013	1.4
242.02007	0.2
243.02975	1.0
249.06111	0.2
249.76918	0.1
255.02954	1.8
255.06656	0.2
256.03693	1.9
257.04498	1.6
267.02924	0.6
267.07126	0.3
268.03738	0.3
269.04581	0.2
271.02493	0.9
283.02603	0.5
284.03259	19.5
285.04034	100.0
286.04382	6.9
297.03836	0.7
298.04547	0.2
300.02789	1.1
301.03424	0.5
302.03445	0.4
303.03894	0.3
327.05121	1.1
335.12381	0.3
382.78751	0.1
387.20013	0.4
426.88293	0.2
429.08224	1.5
447.09293	21.0
447.19144	0.7
448.09555	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48737	0.2
59.01264	1.3
63.02291	0.3
65.00214	0.8
69.26314	0.8
69.26740	1.5
71.01274	0.7
73.02840	0.2
75.84939	0.2
78.88598	0.2
82.52084	0.2
83.01279	0.9
85.02869	0.2
95.20769	0.2
107.01257	2.2
107.01826	0.2
109.02832	4.1
109.03500	0.3
113.02306	0.3
121.02837	0.3
126.07458	0.2
133.02837	9.3
134.03166	0.3
135.00784	0.5
137.02396	0.2
149.02318	1.8
151.00259	6.5
151.01480	0.3
153.01842	2.2
161.04475	0.3
167.04913	0.3
175.03900	2.9
176.04248	0.3
185.05995	0.3
191.05582	0.4
196.05354	0.2
197.06090	0.4
198.03096	0.5
199.03928	2.9
201.01846	0.9
201.03490	0.2
211.04118	0.2
212.04794	0.3
213.05501	0.5
215.03534	0.5
216.73750	0.2
217.04993	1.3
222.21123	0.2
223.03906	0.4
229.08530	1.1
241.05028	0.9
243.02876	1.2
255.02957	0.5
256.03699	2.6
257.04346	0.6
262.29608	0.2
267.03030	0.5
271.02524	3.1
272.02985	0.3
284.03275	4.2
285.04016	100.0
286.04373	7.6
299.01959	2.9
300.02731	1.9
301.03381	0.6
314.04324	0.7
368.59323	0.2
414.31891	0.2
447.09232	21.3
448.09503	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00949	1.0
59.01248	18.9
60.01569	0.9
61.98701	0.8
64.92944	0.7
65.00198	0.8
65.13033	0.6
67.05386	0.6
72.28838	0.5
83.01263	1.0
85.02812	1.1
87.00744	1.0
89.02316	1.2
93.03352	0.8
98.20547	1.6
99.10352	0.6
101.02331	1.3
108.02013	0.7
108.08087	1.7
109.08404	0.7
113.02336	1.1
125.02408	0.8
132.02119	0.7
134.03593	0.8
151.00278	2.5
152.07051	1.1
163.00227	0.9
175.03867	0.8
183.04434	1.3
185.06003	1.1
187.03929	1.0
191.05533	3.8
197.06276	0.8
211.03894	1.8
211.13330	0.8
213.05508	0.7
227.03438	68.9
228.03780	4.0
229.05057	2.3
239.03383	0.8
241.05063	0.8
243.12270	1.0
249.06061	0.7
255.02956	89.4
256.03574	11.1
257.04434	1.9
284.03256	79.5
285.03976	45.2
286.04431	2.8
313.47787	0.7
327.05011	2.0
387.20105	1.2
403.14374	0.8
447.09256	100.0
448.09671	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98231	0.2
54.82834	0.2
56.30593	0.2
57.97189	0.2
59.01250	11.8
63.02262	1.3
65.00205	0.7
73.02805	0.3
83.01242	1.0
85.02822	0.5
89.02315	0.5
95.01254	0.3
101.02316	1.0
105.03335	0.3
107.01270	1.9
109.02849	0.4
109.86012	0.2
113.02309	0.7
119.03378	0.2
121.02841	0.3
124.01551	0.2
132.92436	0.2
133.02844	3.5
134.03609	0.9
147.00824	0.2
148.01563	0.4
149.02325	1.1
149.99516	0.3
151.00264	4.2
161.04466	0.5
169.01299	0.4
171.04489	0.3
172.29465	0.2
175.03920	1.1
183.04482	0.4
187.03952	0.3
191.05434	0.3
197.05933	0.2
198.03096	0.3
199.03925	1.5
200.04649	0.5
201.01855	0.5
204.10516	0.2
211.03970	1.3
212.04755	0.3
213.05370	0.4
215.03354	0.2
217.04962	0.8
223.03845	0.3
225.14909	0.4
227.03391	1.2
230.65579	0.3
239.03477	0.6
241.04979	0.6
243.02959	0.3
255.02968	1.3
256.03711	3.4
257.04257	0.3
267.02914	0.3
269.04523	0.4
283.02533	0.7
284.03253	55.2
285.04004	100.0
286.04373	6.3
297.03867	0.3
327.04990	1.0
387.20251	3.3
410.95486	0.2
447.09283	68.0
448.09610	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91085	0.3
55.47235	0.3
58.68136	0.3
59.01242	1.8
65.00196	0.4
70.56195	1.0
72.89608	0.3
77.03812	1.1
79.01758	0.5
81.03326	0.4
83.01273	0.6
89.02312	0.4
93.03313	0.6
97.02823	0.9
101.02323	0.4
105.03326	0.6
107.01245	0.5
109.02829	2.1
113.02352	0.3
119.04897	1.2
119.09667	0.3
121.02853	1.9
123.00734	0.3
123.04330	0.3
125.02359	1.2
132.02075	0.3
133.02835	14.6
134.03645	0.4
135.00705	0.3
135.04405	1.8
137.02434	0.5
145.02837	0.4
147.04401	1.3
149.02316	1.2
151.00285	0.4
151.03856	0.6
161.02371	1.8
163.00267	2.8
163.03915	3.7
164.01016	0.3
165.01816	1.8
173.02321	0.6
173.06100	0.3
175.03905	3.6
177.01881	1.4
179.03291	0.6
185.06003	0.5
187.03918	0.6
189.01805	0.3
191.03407	1.9
191.05322	0.6
193.01306	1.1
196.05135	0.3
197.06050	0.4
199.03894	1.3
199.07582	0.6
201.01817	1.6
203.03369	0.6
205.01251	0.3
211.03973	0.6
212.04701	0.7
213.01823	0.3
213.05490	1.1
215.03418	0.5
217.04962	0.5
225.05562	1.2
226.02838	0.4
227.03383	0.8
227.06921	0.6
229.04974	0.4
231.06529	0.6
239.03407	0.5
240.04187	1.1
241.04980	1.1
243.02972	0.4
243.06709	0.4
253.04988	1.5
255.02911	1.0
255.06578	0.8
256.03641	0.9
257.04715	0.3
269.04504	1.2
270.05121	0.5
271.06128	0.4
281.04526	0.7
283.06213	0.6
284.03226	10.7
285.04007	8.8
286.04352	0.3
297.00629	0.7
297.04031	16.3
298.04773	9.1
299.05557	19.1
300.05969	1.3
309.04080	0.7
311.05536	3.3
314.03830	0.4
324.02826	0.7
325.03418	0.8
327.05072	100.0
328.05420	8.5
339.05060	3.2
341.06616	0.7
357.06143	29.2
358.06436	2.5
369.06119	2.8
387.20203	0.4
393.06116	1.3
394.06580	0.3
447.09280	22.8
448.09674	2.2
459.94373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13612	0.4
53.02207	0.4
59.01252	13.6
61.98702	0.8
65.00196	0.8
71.01252	2.7
71.11937	0.7
71.12273	0.7
73.02825	0.7
77.03832	0.9
77.15728	0.4
79.01793	0.7
83.01259	0.7
89.02310	2.1
90.88246	0.5
97.02839	1.2
99.43538	0.5
101.02325	2.1
105.03315	0.7
107.01278	0.9
109.02855	3.5
113.02329	1.0
117.03380	0.4
119.03413	0.9
119.04955	0.7
121.02854	2.6
125.02341	1.1
129.70143	0.4
133.02847	16.5
135.04431	3.1
147.04355	0.8
149.02351	1.4
151.00259	0.6
151.03940	0.6
154.50298	0.4
161.02335	1.9
161.04454	0.9
163.00240	3.0
163.03943	3.3
165.01843	3.1
174.03036	0.6
175.03983	2.6
177.01866	1.6
179.03291	0.6
185.05980	0.8
187.03900	0.8
191.03401	0.8
193.01295	0.6
199.03941	2.1
201.01823	1.3
203.03441	0.9
209.06131	0.7
211.03938	0.8
212.04752	0.6
213.05486	1.3
215.03523	0.9
217.04898	0.6
225.05467	1.6
227.03387	1.0
227.06996	0.8
229.01366	0.5
231.06488	0.5
237.05533	0.6
240.04211	1.1
241.04956	1.6
243.03014	0.7
251.03584	0.5
253.05000	2.0
254.05489	0.6
255.02946	1.1
255.06618	1.4
269.04449	2.4
270.05118	0.6
271.05905	0.6
281.04688	0.6
284.03284	6.8
285.04047	17.4
286.04376	1.1
297.04053	24.0
298.04782	16.4
299.05591	38.6
300.05997	3.6
300.43698	0.5
309.04010	1.0
311.05609	8.8
312.05951	0.9
314.04089	0.9
323.05249	0.5
324.02786	1.3
325.03409	2.5
327.05078	100.0
328.05365	8.1
330.03796	1.9
339.05075	13.5
340.05481	0.8
341.06586	1.8
353.06735	0.6
355.04654	0.5
357.06143	53.7
358.06421	5.0
369.06137	3.2
371.07684	0.7
387.07040	1.1
387.20108	1.3
393.06119	0.5
399.07138	1.1
411.07245	1.0
429.08249	6.3
430.08835	0.9
447.09293	53.1
448.09750	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	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76758	0.7
56.40265	0.7
57.20870	0.6
59.01247	100.0
59.28180	0.7
60.01569	1.3
60.59455	0.6
61.98698	0.8
68.39349	0.7
70.13757	3.1
71.01265	2.9
72.99160	0.8
85.02824	1.6
87.00765	0.7
89.02318	3.5
91.03896	3.1
92.76894	0.8
95.31818	0.8
96.95905	2.1
98.19883	1.4
101.02333	1.6
113.02325	1.1
119.03394	1.5
120.58342	0.7
121.02848	1.1
151.07634	1.1
153.09160	1.7
154.96111	0.6
161.04538	1.6
179.05630	0.7
205.12392	1.3
209.11801	2.8
211.13382	1.8
223.13451	0.8
237.54590	0.7
255.02985	2.0
283.02682	0.9
311.22287	13.0
312.22772	1.2
349.81433	0.8
364.25491	0.8
367.57684	0.8
385.18930	2.0
445.29633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96566	0.5
55.55188	0.4
59.01249	100.0
60.01595	0.9
61.51131	0.5
61.98697	0.8
70.62437	0.6
71.01247	3.5
78.95796	1.7
85.02844	1.1
89.02336	2.5
91.03892	2.0
96.95884	4.6
101.02328	1.8
113.02352	1.3
115.01579	0.6
119.03422	1.0
120.46301	0.6
121.02815	0.6
139.07553	0.9
152.08372	1.0
152.99529	1.3
153.09187	2.6
161.04475	0.9
205.12201	0.8
208.08951	0.5
209.11880	1.7
211.13354	1.1
223.13399	1.0
255.03058	1.2
293.21222	0.8
311.22272	9.7
312.22620	1.4
346.41922	0.6
385.18707	1.6
445.00089	1.6
445.29883	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45370	0.4
59.01236	2.2
70.63927	1.2
78.95302	1.1
78.95769	18.0
88.59148	0.5
110.98409	12.8
121.71124	0.5
127.54392	0.5
142.58073	0.4
167.01064	15.4
174.80093	0.5
185.02112	4.1
233.22690	0.6
259.20459	0.7
277.21707	100.0
278.22052	7.6
294.72452	0.5
445.23581	17.5
446.24011	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.9
66.73996	0.4
70.20389	1.7
78.95776	8.4
110.98412	5.6
115.04362	0.4
121.29390	0.5
125.24937	0.5
135.78682	0.4
139.39969	0.4
167.01079	5.0
185.02176	4.2
224.70021	0.5
233.18417	0.5
277.21713	100.0
278.22015	7.9
287.66809	0.4
445.23596	8.0
446.23740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.3
58.00475	0.8
59.01248	100.0
60.01584	1.3
62.23664	0.3
69.28126	3.6
71.01252	9.4
72.99178	0.5
73.02818	1.6
75.00732	0.4
83.01267	0.6
83.04908	0.5
85.02825	2.1
87.00758	1.3
87.12831	0.3
89.02311	10.9
93.03348	0.4
95.01284	0.5
99.00750	0.4
101.02325	5.4
108.08075	2.1
113.02324	4.7
119.03382	4.9
131.03400	0.6
135.04420	0.4
143.03429	1.3
146.06036	0.6
146.50800	0.3
149.04463	0.4
151.83514	0.3
152.07106	1.3
161.04468	2.4
163.11217	0.5
173.04596	0.4
179.05528	3.0
180.05827	0.4
187.11145	1.8
196.06079	0.7
204.11584	0.5
205.12256	1.7
208.31166	0.4
209.11749	11.3
210.12148	0.9
216.92482	0.4
233.11850	1.4
253.09338	1.1
255.02979	1.3
259.13443	0.6
277.14603	1.2
279.76718	0.4
283.02759	0.5
385.18826	1.3
387.81662	0.4
402.14172	0.7
445.21075	0.5
446.07751	0.5
446.13184	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
58.00469	1.2
59.01252	100.0
60.01582	1.1
69.61057	3.7
71.01252	17.7
72.99184	1.8
73.02818	1.3
77.86609	0.5
83.01258	2.7
85.02822	3.6
87.00768	1.3
89.02316	22.8
95.01273	1.4
101.02320	16.1
113.02335	4.8
115.03798	0.5
119.03385	13.3
121.02810	0.6
121.06535	0.8
131.03345	1.2
137.02357	0.8
137.09641	1.1
143.03441	1.6
149.04469	0.7
161.04480	3.4
163.00349	0.6
163.11259	0.7
165.09215	0.9
179.05521	8.6
180.05946	0.6
181.09348	0.5
205.12305	1.5
209.11775	0.5
223.13356	7.9
224.13734	0.5
225.05434	0.6
229.12334	0.6
235.13385	1.7
237.15031	2.0
247.13446	1.6
255.02956	0.8
265.14459	4.6
269.04697	2.0
297.04059	2.8
298.05081	0.5
313.03699	1.9
358.57645	0.6
399.61475	0.6
445.07767	3.1
445.20883	1.2
446.08411	1.0
464.05704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92939	0.4
55.51448	0.5
57.03335	0.8
58.77454	0.5
59.01248	100.0
60.01564	0.7
71.01252	2.2
71.15284	0.6
71.15607	0.6
78.95775	3.2
79.01767	1.3
85.02818	0.8
86.71720	0.5
87.04343	0.5
89.02322	2.0
96.95924	0.6
99.08027	3.3
101.02298	1.2
113.02329	1.0
119.03360	0.8
121.02834	0.7
148.99974	5.8
149.05980	1.2
151.07564	0.5
152.04694	0.7
153.09145	1.7
161.04471	1.0
167.07040	17.4
168.07384	0.9
171.04436	1.0
179.05565	0.6
193.05032	1.7
193.21822	0.5
205.12265	1.2
205.15871	4.8
205.17378	0.5
206.16125	0.6
209.11800	1.5
237.73955	0.5
253.12343	0.9
255.03012	0.9
283.02542	0.8
297.11292	5.8
355.16751	20.6
356.17212	2.2
385.17859	10.0
386.18634	0.6
445.16092	11.3
445.29947	0.9
446.11081	0.5
446.17108	1.5
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
54.46571	0.6
55.01743	0.7
55.55375	0.5
57.03307	3.9
58.00459	0.8
59.01246	51.4
65.00204	0.7
65.03828	6.2
67.01750	3.2
69.03322	0.6
69.59235	3.4
69.59643	0.8
71.01248	19.2
72.01591	0.7
72.99184	1.6
73.02816	3.1
75.00714	1.4
82.13608	0.5
83.01257	1.2
85.02814	7.2
87.00748	2.1
89.02310	22.2
91.01772	1.3
93.03333	1.4
95.01241	1.5
97.02814	0.9
99.00754	1.6
100.00369	0.6
101.02315	11.9
101.02973	0.6
103.03883	28.0
104.04247	0.7
109.02828	79.3
110.03173	2.2
111.04275	0.5
113.02317	8.4
119.03382	9.1
119.04838	0.7
121.02818	1.2
125.02319	1.6
131.03387	1.1
133.02859	3.2
135.00764	10.1
137.02321	1.9
143.03412	2.1
147.06514	6.1
149.02351	0.9
149.04430	1.0
151.00249	0.7
151.03917	5.3
151.11160	0.7
152.00816	0.6
153.01828	100.0
153.09132	0.7
154.02122	3.4
161.02357	1.4
161.04437	4.1
163.00252	2.5
163.03891	0.8
165.01901	0.7
165.05556	0.7
168.00600	0.8
173.04370	1.2
178.99846	0.8
179.05524	5.2
183.04593	0.6
187.11250	3.1
191.05534	0.7
197.06076	0.9
199.03900	0.7
205.12277	1.0
209.11754	1.6
211.04057	0.6
223.13364	1.0
225.01965	0.8
226.02623	1.1
227.03592	1.1
239.03288	0.5
241.05130	0.6
249.06107	2.1
255.02943	14.8
256.03491	1.0
267.07175	2.3
269.04544	7.8
271.08267	0.9
283.02505	11.0
283.06042	1.5
284.03101	2.6
285.03943	2.2
296.03110	0.9
297.03970	12.6
298.04562	1.9
311.01968	0.8
311.05457	0.7
313.03485	9.5
314.03934	0.6
315.07275	1.1
325.03564	3.8
326.03882	0.9
327.04984	1.0
385.18655	1.2
417.08215	1.9
445.07681	15.7
445.13507	17.5
446.08328	4.8
446.13959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	15.1
61.26990	1.2
62.08137	1.0
62.94333	1.0
65.91024	1.1
70.21420	1.0
71.01247	8.5
71.57325	2.3
72.00777	2.0
72.99161	1.2
73.02826	1.5
74.02339	1.6
75.00745	65.8
76.01099	1.2
78.91717	1.2
78.95746	1.2
79.63909	1.3
83.01261	1.8
85.02828	6.5
87.00747	1.5
89.02318	8.2
92.72285	1.4
93.03340	2.3
97.02783	1.1
99.00768	1.6
101.02324	5.0
103.00247	100.0
104.00626	1.6
104.03416	12.7
109.02828	2.0
113.02331	3.2
115.00330	1.6
119.03380	3.2
121.02838	1.3
123.04425	2.2
125.02335	2.9
128.03404	1.4
129.01826	1.3
129.16423	1.2
133.02864	2.2
135.04410	3.3
137.02399	2.1
138.05507	2.4
161.02342	6.9
161.04459	1.6
163.03886	1.5
166.92227	1.2
167.03416	1.5
173.04483	1.2
179.03461	2.4
179.05537	5.4
191.05498	2.6
191.07027	1.5
193.05092	2.2
223.04584	1.4
235.06120	4.0
239.09506	1.3
253.07219	1.4
257.83572	1.1
341.10892	13.1
405.59775	1.2
445.09009	1.8
445.14392	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17995	0.3
50.38996	0.3
53.57842	0.3
57.03319	0.3
59.01250	8.9
60.72982	0.3
62.78243	0.3
69.03327	3.5
71.01255	3.9
71.58991	0.3
73.02797	0.6
75.00748	1.0
81.03320	0.4
85.02828	2.9
87.00731	0.5
89.02300	1.6
93.03265	0.7
93.68942	0.3
95.01262	0.9
97.02814	1.5
99.00739	1.6
101.02334	1.1
107.01282	0.5
108.02049	62.7
109.02911	4.6
110.03201	0.4
113.02296	1.7
119.03437	0.4
119.04912	0.7
121.02819	0.7
123.00751	1.1
125.02323	3.1
133.02831	0.5
134.03607	0.7
135.00723	0.4
135.04407	1.0
137.02341	0.9
138.06799	0.4
145.02863	0.5
147.04416	21.4
148.04797	0.5
149.04507	0.3
151.00255	2.5
151.03853	0.3
151.11151	0.4
152.01054	100.0
153.01746	5.0
153.09108	0.8
160.01549	0.4
161.02359	0.4
161.04422	0.7
163.03906	1.5
165.01808	0.3
169.12285	0.3
175.03949	0.6
177.01888	1.2
195.02957	0.3
197.06026	2.2
205.04941	0.3
209.11760	1.0
211.07631	0.7
213.11206	0.6
220.58678	0.3
223.13266	0.5
239.07155	1.1
255.02927	1.1
269.04672	0.4
283.02594	0.5
285.04178	0.4
297.06174	6.9
327.21771	0.4
385.18744	0.6
401.29221	0.7
445.11414	63.4
446.11865	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	445.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47241	0.4
53.87672	0.4
53.99133	0.4
57.03336	0.4
59.01245	6.6
63.02271	1.3
65.00202	1.8
67.66886	0.4
69.03302	0.8
69.28658	3.9
70.88354	0.4
71.01261	1.8
73.02815	0.6
83.01254	1.3
83.21066	0.4
85.02817	1.1
89.02289	1.0
90.80600	0.5
91.01766	0.7
93.03339	1.3
99.00745	0.6
101.02332	0.6
107.01267	4.4
108.02047	1.4
109.02839	3.8
113.02324	1.0
117.50140	0.5
119.01315	0.6
121.02824	3.8
123.00742	0.5
124.92027	0.4
125.02352	0.8
135.00790	1.1
139.03841	0.5
148.01566	1.7
149.02235	0.9
151.00272	17.3
152.00688	0.6
152.08342	0.4
153.01895	0.6
159.04428	0.5
161.02359	0.5
163.00275	4.8
163.03885	0.6
164.01076	0.5
169.01334	1.8
173.04521	0.7
178.99776	8.4
180.00117	0.6
183.04425	1.1
185.00792	0.5
187.03862	0.5
199.03891	1.4
201.05437	0.6
203.03416	0.9
209.11839	0.8
211.03897	1.8
212.04839	0.5
213.05397	0.6
214.02585	0.4
215.03389	1.1
216.04149	0.5
226.02620	2.2
227.03433	4.4
228.03999	0.6
229.04968	1.0
239.03456	0.5
241.08643	0.6
243.02959	11.5
244.03452	1.1
245.04504	3.1
254.02182	3.3
255.02946	27.8
256.03430	2.0
268.03818	1.0
271.02463	62.7
272.02884	6.1
273.04004	1.6
283.02469	2.3
283.06088	2.7
299.02039	1.9
300.02722	83.7
301.03491	100.0
302.03796	6.2
445.07700	44.7
445.20468	0.7
446.08109	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	445.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
59.01246	15.8
63.02270	1.1
63.99274	0.4
65.00186	1.8
69.03323	0.8
69.24371	4.9
71.01249	3.3
72.32845	0.4
72.99171	0.9
73.02817	0.8
78.34921	0.4
83.01275	1.9
85.02827	2.1
87.00768	1.0
89.02300	2.1
91.01772	0.8
93.03327	1.2
95.01257	0.9
97.02801	0.6
99.00738	1.1
101.02320	1.3
107.01265	4.3
108.02048	2.0
109.02858	4.4
109.06465	0.6
111.00745	0.6
113.02316	2.2
119.03365	0.8
119.04858	0.5
121.02836	4.8
123.00768	0.5
123.04419	0.5
125.02325	0.9
127.46049	0.4
130.08595	0.9
133.02888	0.6
135.00754	1.5
137.02316	0.8
139.03918	0.6
148.01566	1.4
149.02361	1.1
151.00255	18.2
152.00958	0.9
153.01830	1.6
153.09065	0.8
159.04399	0.8
161.02356	1.0
161.04419	0.6
163.00276	3.2
163.03897	0.8
164.00990	0.8
165.01918	0.5
168.00447	0.5
169.01331	1.6
173.04405	1.3
175.00150	0.4
175.03845	0.7
178.99768	7.4
183.04378	0.9
187.03854	0.8
187.06299	0.8
190.99832	0.7
191.05504	1.0
192.00462	0.6
193.01497	0.7
193.04953	0.6
195.10228	1.0
198.03151	0.4
199.03960	1.3
201.01881	0.5
201.05470	1.3
203.03377	0.7
205.04890	0.4
205.12225	0.7
211.03929	2.0
215.03458	1.2
216.04221	0.6
223.13342	0.9
226.02676	1.8
227.03423	3.7
229.04959	1.1
239.03403	0.8
243.02948	10.4
244.03523	0.9
245.04507	2.1
249.06239	0.7
254.02107	2.3
255.02953	25.1
256.03329	1.8
269.04410	0.6
271.02451	51.8
272.02902	4.5
273.03989	1.7
283.02518	4.0
283.11771	1.7
285.04041	0.7
299.01962	2.0
300.02713	69.1
301.03479	100.0
302.03830	7.4
385.18839	0.6
390.32053	0.5
445.07697	36.8
445.16025	2.0
446.07941	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87796	1.4
59.01252	100.0
79.30336	1.3
89.02288	2.0
111.08040	4.0
195.13847	2.0
202.92740	2.0
207.10144	3.5
217.26588	1.7
275.20190	4.8
291.19635	36.7
292.20084	1.9
304.96310	1.6
443.27847	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	444.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.5
57.03307	0.9
59.01248	11.3
60.01599	0.4
67.01733	0.5
68.95607	0.4
68.99692	0.8
69.03314	1.1
71.01247	9.8
72.99174	3.5
73.02819	1.1
75.00743	8.1
81.03313	0.4
83.01260	0.9
85.02277	0.4
85.02814	7.5
87.00741	2.9
89.02306	2.7
91.03880	0.4
91.90678	0.3
93.03324	1.2
94.03690	0.4
95.01280	1.9
98.19769	1.0
99.00761	4.1
101.02321	1.3
103.00238	0.7
105.04692	0.4
106.06499	100.0
107.06838	2.7
109.02843	0.9
113.02329	9.0
115.00242	0.9
117.01801	0.9
118.45352	0.3
119.03370	0.7
125.02370	0.4
129.01833	0.8
131.03400	0.5
134.03595	0.4
135.04393	0.6
137.02319	0.4
149.02315	0.4
150.05501	57.0
151.05911	2.0
153.01895	0.6
157.01355	0.6
161.04456	0.6
173.04449	0.7
175.02313	1.1
179.03424	0.4
189.03995	0.5
191.05524	1.1
194.04509	26.1
195.04807	1.0
205.12294	0.6
209.11746	1.3
224.09241	1.1
231.05080	1.5
249.06119	16.1
250.06471	0.7
255.02966	2.3
267.07214	4.9
268.08029	1.0
283.02423	1.5
285.04236	0.4
319.65262	0.3
340.10300	0.5
346.87881	0.4
382.11340	1.5
400.12457	24.8
401.12894	2.2
426.10303	0.7
444.11426	46.6
445.11960	4.1
445.21060	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90451	1.6
59.01245	100.0
69.60571	10.6
102.05914	2.0
107.48701	2.1
134.41891	1.9
220.21808	1.7
275.20227	6.4
291.19620	33.6
292.19855	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41922	2.5
59.01245	100.0
61.98692	2.9
71.57624	2.9
91.03907	3.0
96.95895	17.6
109.06512	2.8
111.08019	4.3
152.89305	3.3
195.13786	4.9
275.20047	8.5
277.20599	2.6
285.03802	5.1
291.19635	60.7
292.19833	5.5
350.89911	3.7
442.97806	3.4
443.10822	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52443	0.6
59.01250	100.0
60.01604	0.7
60.04903	0.7
69.03361	1.0
69.88310	4.3
71.01275	0.6
83.25231	0.7
91.03912	0.9
93.73643	0.7
104.31708	0.8
109.06577	0.9
111.08067	1.3
145.82578	0.7
197.11803	3.5
207.10205	1.8
212.47864	0.7
291.19693	3.3
309.20700	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	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48676	0.5
59.01246	100.0
71.06741	0.9
71.07052	0.8
84.45190	0.6
91.03888	2.2
96.95881	0.9
111.08052	1.6
125.87218	0.4
197.11749	4.9
249.64632	0.5
291.19614	3.6
309.20676	9.4
310.21213	0.9
332.04529	0.5
409.49109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24595	0.5
57.03322	0.7
58.44518	0.5
59.01251	100.0
60.01582	0.6
71.01234	0.9
72.19698	0.6
74.92287	0.5
89.02334	1.0
91.03887	4.9
103.91922	0.7
109.06502	0.6
111.08055	2.7
132.37575	0.6
135.00816	0.6
137.02359	0.9
139.00278	1.8
175.12494	0.6
197.11758	8.0
199.13324	0.8
207.10313	0.7
211.13339	1.2
217.00308	0.8
249.46674	0.6
263.20258	1.0
291.19647	5.4
295.27802	0.6
309.20706	15.6
310.21158	0.8
346.06604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09285	0.6
50.46424	0.6
57.03310	0.7
59.01247	100.0
60.01587	1.9
63.01110	0.5
70.90004	1.0
70.90356	1.1
71.01256	2.2
73.02790	0.7
78.16064	0.6
83.89182	0.6
85.02812	0.7
89.02306	2.0
91.03885	6.6
101.02325	0.8
110.06342	0.7
132.61420	0.6
135.00337	0.6
195.13834	2.1
207.10147	1.2
212.75146	0.7
221.15500	1.5
223.13438	1.3
254.48439	0.6
291.19727	4.9
309.20685	20.2
310.21109	1.2
389.48795	0.6
392.15326	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	443.1921
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
51.52928	0.5
55.01758	2.7
57.03310	2.2
58.00465	2.3
59.01251	51.3
62.94388	0.6
69.70209	2.2
69.70642	1.8
71.01252	37.4
72.99196	3.0
73.02818	7.9
75.53658	0.6
83.01258	6.0
83.04872	1.0
85.02824	13.1
85.99985	0.7
87.00748	1.3
89.02315	24.7
95.01258	2.7
97.92487	0.6
98.20559	0.7
99.00746	3.0
101.02321	30.6
102.61814	0.6
111.04376	1.6
113.01527	0.7
113.02322	13.2
115.63187	0.6
119.03396	9.2
121.06488	0.8
123.08022	0.8
123.38512	0.6
149.04594	0.6
161.04462	1.5
179.05688	0.6
179.10118	0.6
189.12801	1.9
219.13882	0.9
237.14926	1.5
443.19183	100.0
444.19482	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	443.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.0
57.03312	1.2
59.01248	28.9
60.01582	0.4
60.44368	0.3
69.03326	2.3
71.01249	13.6
71.58286	0.8
72.99168	1.2
73.02822	5.9
75.00732	0.5
83.01255	2.0
85.02814	7.4
87.00742	1.3
89.02320	2.8
91.01779	1.2
93.03325	1.4
94.26395	0.4
95.01255	1.1
97.02834	0.9
99.00751	3.5
101.02316	10.0
106.06530	0.4
107.04916	0.9
109.02861	0.5
111.00715	0.5
111.04433	0.4
113.02321	5.5
117.03381	0.3
119.01258	3.8
119.03374	0.7
121.02856	2.2
125.02314	0.8
130.34552	0.3
131.03363	0.8
134.03598	1.7
135.04359	2.0
137.02371	0.5
143.03404	0.8
147.00784	3.2
147.04381	1.2
149.02327	9.6
150.02870	0.4
151.03915	0.6
152.01047	0.6
159.02867	1.0
161.02393	1.6
161.04453	4.1
161.09631	0.7
162.03059	0.7
163.03889	3.0
164.04686	13.8
165.01819	1.4
165.05174	0.6
166.02608	0.4
167.03354	0.4
169.04961	0.4
171.15887	0.3
173.04463	0.8
175.00276	26.9
176.00697	0.7
177.01877	0.8
177.05515	0.6
177.49777	0.4
179.03345	0.7
179.07050	3.5
179.10675	2.1
185.00847	1.0
189.01813	0.6
190.02628	79.2
191.03003	3.9
191.05486	0.9
203.07019	0.4
203.10602	0.4
205.04988	100.0
206.05338	5.7
207.02902	2.0
208.03714	1.1
209.04427	0.8
221.11745	0.4
223.06047	27.0
224.06445	1.3
237.09770	0.8
251.09164	0.6
269.10294	5.7
270.10645	0.4
300.02731	0.4
311.11368	1.0
320.58731	0.4
353.06631	0.8
383.07657	0.6
398.73120	0.4
401.09186	0.5
401.14453	8.8
402.14664	0.6
428.13196	1.7
443.15515	65.9
444.10117	0.8
444.15900	6.5
447.03217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	3.4
57.03313	8.8
58.00453	1.8
58.06519	1.3
58.58008	1.4
59.01251	66.2
65.03807	4.9
67.01743	4.9
68.99658	4.5
69.03304	3.9
69.45403	4.2
69.45829	7.1
71.01254	55.1
72.99181	12.1
73.02834	9.5
75.00359	2.2
75.00748	31.2
82.40947	1.4
83.01268	6.6
83.04883	2.6
85.02821	48.3
87.00751	24.7
89.02331	17.2
89.03822	2.1
91.01748	3.3
93.03347	7.6
95.01259	10.4
95.04910	1.7
97.02787	4.1
99.00175	2.6
99.00764	37.1
101.02306	16.1
103.00229	2.1
107.04791	1.9
109.02139	2.1
109.02835	37.1
110.03170	1.6
111.00076	1.5
111.00769	19.8
111.04348	4.3
112.01517	1.5
113.02328	48.9
113.05933	3.9
115.00233	4.3
115.03903	1.3
117.01775	6.6
117.03364	8.2
119.03326	2.5
121.02796	3.3
123.04377	2.4
125.05943	2.4
129.01811	7.8
131.03349	2.4
131.42047	1.4
132.02040	13.3
133.02762	6.3
134.03633	100.0
135.00792	17.1
135.04457	9.5
136.70818	1.3
137.02295	4.7
141.01848	19.8
149.02219	2.3
149.05980	9.8
151.03860	1.5
151.07492	4.0
153.01840	86.9
153.09058	4.5
154.02136	2.9
157.01270	2.2
159.02901	12.5
160.01578	49.8
161.02217	6.5
161.04382	5.0
161.09561	4.8
163.03859	1.8
165.05290	1.7
173.04361	6.2
175.02461	4.4
175.03909	60.6
176.04204	2.1
178.02563	1.9
179.03436	6.6
179.10587	3.8
184.93732	1.6
187.07704	1.6
190.02568	2.7
191.05525	9.8
191.10564	1.6
193.04987	64.4
194.05287	2.5
203.10594	4.4
205.04852	3.2
205.12364	2.1
206.09338	3.0
207.04964	1.7
219.13689	2.1
221.11784	11.9
223.13263	5.8
231.05005	2.3
249.06140	33.4
252.06195	2.5
263.12616	1.7
267.07166	90.5
268.07422	4.8
317.11069	1.5
365.15732	3.4
381.11633	2.0
411.08972	1.6
425.10495	4.2
443.11569	69.7
443.18887	5.4
444.11569	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.5
59.01245	5.6
65.03834	0.4
67.20576	0.3
68.99676	0.9
69.03318	3.6
69.25174	0.5
69.25576	2.7
71.01250	5.8
72.99197	0.3
73.02808	1.5
75.00735	0.6
79.01759	0.4
81.03338	2.5
83.01259	0.9
83.04888	0.3
85.02811	8.2
85.88201	0.3
87.00757	1.2
89.02300	0.9
89.98395	0.3
92.94703	0.3
93.03329	1.7
95.01257	4.5
97.02833	2.4
99.00753	1.1
99.04390	0.7
101.02321	1.6
103.84148	0.3
108.02048	70.7
109.02837	48.0
110.03182	1.0
113.02328	1.8
121.02840	1.6
123.00772	4.5
123.04330	0.6
125.02328	2.3
127.03909	0.6
128.03391	0.3
133.02834	0.7
134.03583	0.4
135.00755	1.3
135.04419	0.9
137.02341	1.4
145.08589	0.9
149.02347	0.5
149.09624	0.4
151.03882	1.5
152.01048	68.1
153.01834	41.1
154.02182	1.4
161.02399	0.6
161.04439	0.5
163.03888	1.9
165.01810	1.8
166.99773	0.5
167.03419	0.4
171.64447	0.3
173.04532	0.5
175.03836	0.4
177.01855	0.9
179.03326	0.4
180.65042	0.3
190.02516	0.3
195.02892	1.0
221.08205	0.3
225.04005	0.5
285.04028	0.8
289.46667	0.4
315.07172	0.6
389.44519	0.3
402.77872	0.3
443.11902	100.0
444.12195	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01810	0.1
59.01251	0.6
65.00187	0.1
65.03831	5.4
66.04169	0.1
67.01755	2.3
67.32088	0.1
68.99686	0.1
69.37749	0.6
71.01251	0.3
71.04858	0.1
72.02073	0.1
73.02811	0.1
85.02799	0.2
87.00771	0.1
89.02316	0.1
91.01767	5.7
92.02094	0.1
101.02323	0.1
103.03918	0.1
108.02072	0.1
109.02831	38.3
110.03166	1.0
115.77929	0.1
121.02822	0.2
131.04924	0.1
133.02856	0.1
135.00772	22.4
136.01096	0.8
137.02283	0.1
147.04478	0.1
149.02374	0.1
149.06009	0.5
152.01039	0.1
153.01833	100.0
154.02174	3.1
161.02261	0.1
167.03355	0.1
175.03882	0.2
177.01826	0.2
195.02940	0.1
230.28230	0.1
294.00455	0.1
297.06119	0.3
311.11246	0.1
333.84753	0.1
364.25012	0.1
374.40042	0.1
399.13010	0.3
443.11768	2.1
443.20795	0.1
444.12219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09470	0.4
59.01246	100.0
60.01575	0.6
60.20112	0.4
67.30600	0.4
69.61235	2.8
95.69437	0.4
98.19695	0.7
107.44598	0.4
139.99178	0.4
146.43666	0.4
151.66304	0.4
167.38187	0.4
167.53163	0.4
169.12186	0.6
171.10162	0.8
171.51234	0.4
209.11826	0.7
215.66798	0.4
217.00499	0.8
245.19237	0.5
289.18146	2.6
307.19086	2.8
308.19449	0.5
382.39099	0.4
441.24747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82224	0.5
57.03346	0.5
59.01247	100.0
60.01599	0.8
66.44234	0.5
67.01062	0.5
82.00449	0.5
87.61507	0.5
92.92638	0.6
98.19817	1.1
141.32576	0.5
201.02507	0.6
209.11894	0.7
217.00215	2.4
229.29208	0.7
235.11853	0.6
247.80385	0.5
289.18091	2.5
307.19101	5.1
334.09000	0.5
359.01550	0.6
384.69202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01585	1.9
60.26175	1.2
65.97713	1.3
68.36269	1.3
69.08933	1.1
71.37387	1.3
71.37751	2.6
97.87163	1.2
103.49205	1.3
125.03519	1.2
173.29300	1.3
178.69566	1.2
217.00246	5.4
284.63010	1.3
289.18152	3.7
290.38055	1.3
307.19070	3.8
441.00143	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	439.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57994	0.5
52.62471	0.4
55.01759	0.9
56.11560	0.5
57.03322	0.9
57.23468	0.5
58.00473	0.8
59.01249	100.0
60.01562	1.0
63.16407	0.4
63.75913	0.5
65.03809	0.5
65.55052	0.5
68.99667	0.5
69.03333	1.0
71.01249	21.3
71.58341	0.6
72.99181	1.7
73.02813	15.8
81.88039	0.5
83.01252	5.4
85.02809	3.5
87.00768	1.9
89.02310	8.2
93.03331	64.8
94.03679	1.9
95.01258	1.1
96.95895	1.6
97.02786	0.6
99.00758	0.8
101.02321	19.3
101.03001	1.0
108.84158	0.7
109.02834	1.4
113.02325	7.5
119.03387	2.8
121.02841	1.1
125.02347	1.5
131.03391	1.1
135.04445	1.0
137.02338	99.1
138.02678	4.5
138.88939	0.5
143.03397	1.5
147.11702	0.6
149.04504	0.7
153.01830	0.8
161.04503	3.3
163.03929	1.4
179.05501	1.8
439.17853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22394	0.6
59.01250	100.0
60.01598	0.8
60.07350	0.7
69.03311	0.7
71.01250	25.4
71.12189	1.4
73.02827	2.0
75.00748	0.7
83.01259	1.3
83.66512	0.6
85.02831	2.1
87.00770	0.9
89.02327	1.0
93.03345	0.7
95.01237	0.8
96.95849	0.9
99.00772	1.1
101.02305	3.0
113.02346	2.5
117.05496	0.7
119.03415	0.8
119.04978	0.6
135.04372	0.7
143.07080	0.7
161.02364	0.9
161.04495	2.4
161.08109	6.0
173.04501	1.3
187.09731	1.5
215.09192	4.6
244.26207	0.7
259.11938	2.0
277.12842	4.3
319.13916	6.0
347.13562	1.2
439.07364	1.3
439.17172	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01569	0.4
58.03794	0.3
59.01246	2.4
60.15554	0.3
69.03328	0.5
71.01256	0.5
71.58886	0.5
73.31969	0.3
83.04912	0.6
96.95898	1.0
105.03345	15.6
107.04928	1.4
110.24084	0.4
117.03309	0.4
121.02843	2.3
121.06504	0.3
122.03632	1.0
123.04378	1.5
123.08062	1.0
130.37769	0.3
133.02869	0.7
133.16817	0.3
134.03642	3.0
135.04414	100.0
136.01543	1.2
136.04739	3.3
149.02338	2.9
161.02327	1.8
162.03117	0.4
163.03873	0.3
163.34087	0.4
165.01790	0.7
166.02594	0.6
167.03413	6.7
169.06497	0.5
171.08138	0.5
171.10204	0.6
175.07573	1.0
189.09140	1.3
194.02161	0.7
196.31955	0.3
211.13359	0.5
224.04807	0.4
239.07019	0.5
241.12273	1.2
259.13367	1.0
263.68948	0.3
265.05182	0.3
267.06622	0.8
285.07645	0.4
285.11444	0.9
290.00034	0.3
303.12372	24.6
304.12674	2.3
321.13409	1.1
357.26492	0.4
379.24664	0.4
421.16681	2.6
422.16818	0.5
424.07941	0.5
439.17593	46.8
440.17892	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	439.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84737	0.3
71.57283	0.4
77.65122	0.3
78.95773	40.4
79.95619	0.4
96.95919	17.2
96.96835	100.0
99.63005	0.3
167.64226	0.4
200.32597	0.4
222.33806	0.4
324.39941	0.4
341.10751	0.5
439.08679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64926	0.2
55.01735	0.3
57.03311	0.2
59.01236	2.4
67.01743	0.3
70.88375	0.5
71.01254	0.5
79.05403	0.7
81.03378	0.3
93.03363	0.3
95.01216	0.3
95.04888	0.3
96.95889	1.0
105.03341	7.8
107.04900	0.7
108.02095	0.3
109.02822	0.7
111.04340	0.2
113.02381	0.3
117.03342	0.6
121.02834	5.1
122.03650	1.9
123.00772	0.3
123.04420	4.7
128.36656	0.3
133.02800	0.6
134.03616	3.1
135.04410	100.0
136.01573	0.7
136.03795	0.4
136.04756	4.4
139.92889	0.3
145.58249	0.2
148.01616	0.6
149.02336	2.9
149.05992	0.4
159.04390	0.6
161.02388	1.5
162.03145	0.7
163.07516	1.4
165.01836	11.7
166.02614	2.5
167.03400	5.5
173.05989	0.3
175.03922	0.7
183.08098	0.2
189.09163	1.5
194.02132	0.7
198.89523	0.3
204.04195	0.4
207.08069	0.7
207.66339	0.2
217.05112	0.3
223.07607	0.3
223.11198	0.3
241.12285	1.2
259.13342	1.5
265.04752	0.2
267.06601	0.7
267.10233	1.4
283.05960	0.3
284.06689	0.6
285.07779	0.6
285.11288	5.8
286.11627	0.5
303.12378	15.4
304.12784	1.3
317.13870	0.4
417.60770	0.3
421.16510	3.3
422.16760	0.4
439.17578	53.0
440.17944	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	436.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10812	0.6
59.01258	2.9
69.43874	5.4
71.01257	1.3
72.00769	2.8
73.02824	0.6
75.00723	0.7
76.15485	0.5
79.95605	23.6
80.96387	4.4
85.02821	1.1
93.03349	1.4
100.00275	6.2
107.04907	4.2
113.02367	0.8
117.03373	0.7
119.04908	22.5
120.05270	1.0
132.02055	1.8
133.05148	0.9
134.03627	33.1
134.05997	10.5
135.04446	4.6
137.02283	1.9
147.04433	0.9
148.05191	9.7
149.04834	1.3
149.05983	22.1
150.06348	0.8
160.01569	15.7
161.02330	3.0
162.03143	0.8
163.03915	16.4
163.06155	0.8
165.01907	0.6
173.04524	1.2
175.03917	25.1
176.03320	1.0
177.05495	1.3
178.04985	7.0
179.03436	1.1
179.05476	0.7
180.06586	5.3
185.99785	0.6
190.04973	3.4
191.05630	2.9
204.06610	1.0
206.04515	18.4
206.07947	1.0
207.04849	1.3
214.01718	9.9
219.13783	0.8
227.09221	1.7
250.07063	0.8
253.08765	0.7
260.02344	0.7
297.10068	3.7
312.12427	10.9
313.12909	1.0
332.50327	0.7
356.11328	6.9
357.11740	1.1
385.45749	0.6
392.08127	9.8
393.08548	0.9
436.07043	100.0
437.07315	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	436.071
Annotation	Cladoniamide A
Peak:m/z	Relative Intensity
54.73215	0.7
57.03307	0.8
59.01257	6.7
69.03313	2.6
69.66366	2.0
69.66766	5.2
71.01248	3.3
71.16611	0.8
72.00785	4.5
72.34081	0.8
75.00738	1.0
79.95605	13.7
80.96392	2.0
85.02824	2.8
87.00745	1.6
93.03326	4.0
94.16093	0.9
96.95779	0.8
97.02805	1.5
99.00729	2.1
100.00288	9.0
101.02306	1.3
107.04909	4.3
108.02035	2.1
113.02299	1.6
115.36137	0.8
119.04044	1.6
119.04910	31.4
120.05177	0.9
132.02023	2.1
134.03635	38.6
134.05981	8.3
135.04451	5.9
148.05190	7.6
149.04823	1.7
149.05984	26.4
150.03130	1.1
150.06352	1.3
152.01047	2.2
155.03310	1.0
160.01575	19.9
161.02223	2.6
161.04535	0.9
162.03096	0.9
163.03922	25.6
163.06024	1.0
164.04248	2.4
165.01781	1.1
165.05499	0.9
173.04547	2.6
175.03920	30.7
175.05443	1.5
176.03304	0.9
177.04196	0.8
178.05009	4.8
179.03410	1.9
180.06558	6.9
185.00867	1.0
185.11800	1.2
190.04982	3.2
191.05576	5.0
206.04521	35.4
207.04768	1.3
214.01740	8.4
250.07121	1.6
260.07700	1.0
297.10001	2.7
312.12393	9.9
356.11365	20.2
357.11761	1.5
392.08163	4.3
436.07025	100.0
436.19336	3.3
437.07269	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	435.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08535	0.5
52.27941	0.7
55.01748	6.1
57.03318	5.9
58.00464	2.1
59.01249	67.9
60.01562	0.9
61.98695	0.9
67.01746	0.5
68.99695	1.0
69.03006	0.6
69.03314	3.6
69.49616	4.7
71.01250	100.0
72.01582	1.2
72.99184	5.3
73.02815	35.2
75.00748	2.7
81.03323	2.0
83.01253	23.2
84.71532	0.6
85.02819	48.7
86.03150	0.7
87.00752	4.2
87.04402	1.1
89.02310	14.1
93.03343	1.9
95.01258	7.2
97.02823	6.3
97.88678	0.6
99.00754	14.9
99.04385	1.0
101.02319	72.8
102.02654	1.4
103.03889	7.4
109.02841	1.4
111.00780	1.3
113.02327	34.1
114.02652	0.6
115.03875	1.2
119.03381	5.2
119.04837	0.7
122.47895	0.5
123.04420	0.9
125.02332	10.4
127.03883	1.3
127.11163	1.6
129.01810	1.4
130.18597	0.6
131.03394	0.7
135.04431	0.5
143.03397	6.7
145.02869	0.6
145.04890	1.6
148.93048	0.7
151.03986	0.8
152.01089	0.9
153.01901	0.7
159.02893	8.9
161.04456	48.7
162.04793	1.2
163.06029	4.5
165.12675	0.6
167.03413	0.7
173.04443	1.0
177.01872	1.0
179.05540	0.7
185.00912	0.8
187.03899	0.7
189.01817	1.3
191.05559	1.4
201.17216	0.6
202.67003	0.5
205.03436	2.5
205.07222	1.4
217.01360	1.4
219.02837	0.9
229.07159	1.9
247.08223	4.1
248.47314	0.6
273.07697	1.3
289.16550	65.4
290.16922	4.1
297.00531	0.5
299.87677	0.7
307.10355	0.6
341.06583	2.1
435.10703	0.9
435.22223	26.5
436.22598	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.6
57.03312	4.1
59.01251	38.8
67.01766	1.5
69.03316	2.9
70.93238	2.3
71.00889	1.6
71.01249	22.0
71.04885	1.2
72.99164	4.3
73.02804	4.8
75.00739	19.2
81.03290	1.0
83.01224	1.8
83.04883	1.2
85.02338	1.8
85.02818	21.0
87.00734	8.1
87.04393	2.0
89.02317	6.9
93.03323	4.9
95.01260	4.3
97.02808	1.6
99.00745	10.3
101.02332	2.5
103.00253	1.2
108.02060	1.1
109.02806	2.9
111.00785	1.4
113.02328	23.7
113.09632	5.5
115.00253	2.4
115.07491	2.6
117.01801	3.5
119.04874	2.8
121.02818	2.2
125.02328	3.1
125.09534	2.2
127.03880	1.1
127.07472	1.2
129.01785	3.6
133.02861	1.1
134.03568	1.8
135.04393	2.9
137.02312	2.4
147.02888	1.4
149.05977	1.5
151.00244	3.6
155.03412	1.0
161.02318	1.6
163.03925	2.2
165.03955	2.4
165.98970	1.0
173.04472	6.9
175.02394	2.7
179.03366	1.6
179.05563	1.4
185.11748	88.0
186.12073	4.0
191.05504	6.4
227.03548	1.6
227.12805	5.0
229.04967	4.6
231.05058	2.2
249.03793	1.6
249.06158	19.7
250.06511	1.3
255.02643	1.6
267.07150	2.4
271.02225	1.5
272.03082	5.1
273.04050	10.6
277.98489	1.5
287.14957	10.2
287.18625	5.7
319.44907	1.3
348.11337	1.2
372.10025	1.2
387.14462	1.5
417.17612	1.7
435.09909	9.3
435.18604	100.0
436.18906	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	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82304	1.0
55.01738	1.6
57.03308	3.5
59.01249	44.4
61.32026	1.2
68.99702	1.9
69.03307	2.3
69.30253	1.1
70.88823	1.7
70.89148	1.9
71.01249	15.4
72.01540	1.3
72.99168	4.7
73.02815	3.2
74.72466	1.2
75.00739	16.5
76.49935	1.2
81.03331	1.2
83.01256	2.0
84.13068	1.2
85.02822	19.8
87.00744	6.9
89.02312	5.3
93.03345	3.1
95.01256	4.8
99.00750	7.3
101.02311	2.6
111.00753	1.4
113.02332	20.2
113.09582	4.6
115.00243	1.8
116.37399	1.1
117.01797	2.0
119.03377	1.6
119.04876	2.3
123.04412	1.3
125.02344	1.5
125.09583	1.9
129.01828	2.4
135.04410	1.4
136.47543	1.0
147.02908	2.2
148.07222	1.6
151.00230	2.4
163.03845	1.3
165.03940	2.4
165.97098	1.2
167.03291	1.4
167.10692	1.2
169.04564	1.2
173.04430	2.6
175.02434	1.4
179.03415	1.6
185.11749	82.5
186.12038	2.7
189.03888	1.2
191.05487	4.9
207.13860	1.2
209.11839	1.4
227.12862	9.7
229.05228	1.7
231.05048	2.4
249.06094	19.5
250.06474	1.2
267.07129	2.5
269.13995	1.7
272.03015	2.4
273.03992	5.6
273.07407	2.3
285.27280	1.2
287.14948	21.8
287.18530	8.8
392.15811	1.4
417.17429	2.8
435.10062	6.7
435.18600	100.0
436.18958	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	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.4
56.94027	0.6
57.03323	1.6
58.00474	1.7
59.01251	100.0
60.01587	1.3
68.92076	0.6
69.47675	5.6
71.01254	41.5
72.01584	0.9
72.99179	2.6
73.02818	33.5
74.17132	0.6
75.00754	1.0
83.01257	5.9
85.02822	7.3
87.00751	1.5
89.02318	37.4
93.03374	0.8
95.01289	2.3
97.02821	1.3
99.00757	64.4
99.04382	0.9
100.01081	1.5
101.02325	22.7
109.02839	0.7
111.00813	0.9
113.02333	16.8
117.33890	0.7
119.03385	7.7
123.04457	0.8
125.02369	3.7
131.03380	8.9
140.96263	0.6
141.01889	0.7
142.33806	0.6
143.03412	3.3
149.04457	18.3
155.03406	3.3
160.56410	0.7
161.04445	9.1
167.03406	1.8
173.04485	1.0
175.03726	0.7
179.05511	3.4
191.05530	25.2
192.05956	0.9
203.05528	8.0
208.09810	0.6
221.06693	0.7
233.06604	2.4
261.13406	1.7
273.07712	2.2
291.64301	0.8
303.14471	0.8
347.50546	0.7
393.17624	20.4
394.17978	0.9
398.97644	0.7
435.18680	24.4
435.29611	2.7
436.18875	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	435.1295
Annotation	Trilobatin
Peak:m/z	Relative Intensity
52.57500	0.4
57.03321	2.8
59.01247	14.5
65.00187	1.4
67.01749	0.4
68.99670	0.5
69.03326	0.7
70.25638	1.2
70.25985	0.3
71.01254	3.0
72.99184	0.6
73.02803	0.4
73.94762	0.3
75.00732	2.5
79.05408	0.5
79.99657	0.3
81.03326	15.4
83.01250	6.2
85.02814	2.9
85.38796	0.2
87.00750	0.8
89.02309	0.8
93.03332	11.3
95.01265	1.4
95.04896	1.1
97.02808	0.5
99.00755	1.7
99.04384	0.4
103.00272	0.4
107.01254	1.7
108.02097	0.4
109.02831	0.4
111.04377	0.8
112.68079	0.3
113.02328	2.7
115.00210	0.3
119.04914	13.0
121.02834	0.3
123.04403	39.8
124.04717	1.3
125.02330	19.4
129.01784	0.4
134.03601	0.4
135.04427	1.8
137.02356	0.7
139.03845	0.3
147.04395	0.5
149.02313	2.3
151.00250	3.9
151.03860	0.3
152.00972	0.3
163.03935	0.7
165.05511	0.6
167.03400	100.0
168.03751	3.3
169.06476	0.4
171.04385	0.4
173.04430	0.9
175.02393	0.4
179.03404	10.2
180.03749	0.4
185.11743	1.2
187.07625	0.5
189.05545	2.2
191.03548	1.6
191.05405	1.7
211.07649	0.6
229.08580	1.1
231.05002	0.4
249.06129	6.2
255.06609	0.9
267.07193	1.1
273.07657	97.6
274.08020	5.8
297.07581	0.5
303.60748	0.6
309.08264	1.7
309.11295	0.3
315.08679	0.5
341.06604	0.4
397.51736	0.3
417.17502	0.7
435.12735	0.8
435.18546	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	435.1292
Annotation	Pterosupin
Peak:m/z	Relative Intensity
51.70539	0.6
57.03304	1.4
59.01251	5.3
68.99683	1.5
69.03320	1.8
71.01254	1.8
78.35565	0.6
81.03329	11.9
83.01269	4.1
85.02824	0.9
93.03330	7.0
95.01251	1.1
95.04897	11.7
97.02831	5.3
98.20566	1.5
99.04377	5.2
105.03350	0.9
109.02814	1.6
111.04374	1.9
113.02329	1.2
119.04916	7.9
121.02850	1.7
122.03637	1.5
123.04400	17.8
125.01430	1.3
125.02330	21.7
131.86145	0.6
135.04376	2.4
137.02327	4.6
137.05981	11.7
139.03926	3.5
141.05458	1.3
147.04399	1.9
149.02339	1.1
149.05968	0.7
151.00226	0.9
151.03922	1.0
155.03372	1.1
163.03877	0.8
165.05482	9.0
167.03404	49.5
168.03763	1.4
177.05487	1.1
179.03398	9.1
181.04980	1.6
189.05472	4.6
190.25284	0.6
193.04993	1.4
196.44212	0.6
197.04478	3.7
209.04478	13.4
210.04930	0.7
221.04526	2.4
223.60060	0.6
239.05644	0.7
273.07660	9.0
285.07684	2.6
315.08731	100.0
316.09073	6.7
327.08820	1.5
345.09750	23.8
346.10162	2.4
349.37570	0.6
357.09613	0.8
417.12006	1.5
435.13022	9.2
435.29678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88189	0.7
59.01249	100.0
67.97132	0.7
78.95776	11.6
87.16862	0.8
91.03889	1.3
152.99478	13.2
153.99817	1.8
154.99945	2.6
174.93300	1.3
184.95328	1.0
196.12627	0.7
244.97438	1.3
265.21750	4.3
299.25815	2.0
326.60861	0.9
387.19800	0.9
433.23007	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	435.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.3
70.73163	0.6
70.73482	0.9
80.15923	0.6
83.45577	0.4
109.02840	0.5
122.89279	1.0
125.87204	1.1
126.87994	0.9
133.02818	0.7
135.07993	0.5
148.01524	0.8
157.86192	0.8
188.01079	1.0
189.01854	0.8
199.09789	0.9
201.01749	1.1
209.05931	0.6
225.05501	1.0
232.15086	0.5
241.05003	0.8
253.04958	1.1
254.05667	0.5
269.04550	2.4
270.05292	1.5
297.04041	4.7
298.04861	4.0
309.03986	7.1
309.07233	0.7
310.04517	0.7
313.03159	0.8
323.09299	0.6
325.10748	1.7
330.03748	5.4
331.01950	1.3
337.07132	1.8
353.10263	100.0
354.10608	9.8
355.07837	0.5
375.08429	17.7
376.08679	1.4
393.09250	4.6
399.10281	4.1
435.09140	2.2
435.23981	0.6
436.02328	1.0
453.09836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	47.3
59.87204	1.0
59.91759	0.9
71.01245	13.1
71.59289	1.9
72.99172	2.8
89.02312	25.7
91.03883	100.0
92.04215	1.8
96.64825	1.0
101.02312	1.4
113.02386	1.6
115.91972	1.8
116.92728	2.6
117.03349	5.0
119.04925	8.7
145.02852	35.8
146.03226	1.3
163.03937	4.6
167.76990	1.1
173.61249	1.0
174.93320	3.1
192.95822	1.4
219.73270	1.2
221.18877	1.6
223.20622	97.7
224.20996	8.1
241.21687	2.0
244.97589	4.1
267.19644	77.2
268.20026	5.4
285.20700	79.4
286.20996	8.4
287.22388	2.0
341.23322	23.5
342.23636	3.1
359.24414	58.6
360.24744	5.0
433.25955	14.1
434.26172	2.3
434.46918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81923	1.8
59.01247	60.7
66.16830	1.8
66.17641	1.9
71.01267	10.2
71.58722	3.5
72.99165	2.8
83.06387	2.1
85.02818	2.9
89.02318	18.6
91.03880	94.7
96.95898	3.9
134.56882	2.1
136.82179	1.9
174.93323	3.7
192.95854	2.4
197.11699	13.4
223.20621	100.0
223.82549	1.9
224.20961	7.6
226.88016	2.1
229.23874	2.4
241.21643	3.4
244.97511	5.8
247.15414	3.0
267.19632	85.7
268.20029	5.2
278.12296	2.1
285.20709	75.9
286.21072	7.3
341.23306	21.8
342.23636	2.6
359.24377	56.0
360.24658	5.6
405.11438	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	433.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48805	0.9
55.24764	0.8
55.94035	0.9
57.65710	0.8
59.01248	100.0
60.01562	1.0
62.50744	0.9
71.57914	0.9
77.23707	0.8
78.95776	4.4
89.11762	1.0
91.03885	1.2
96.95868	0.9
97.22100	0.8
102.28614	0.8
110.98367	1.9
152.99471	6.3
167.01060	1.2
197.68617	1.0
225.82956	1.0
228.15797	1.0
251.73187	0.9
265.21689	19.2
266.22083	1.3
299.25739	1.7
352.28448	0.9
433.23511	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2591
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01247	5.4
61.10410	0.4
71.57430	0.7
71.57784	0.5
71.96991	0.4
78.95772	0.5
90.02048	0.4
93.03344	0.4
96.95875	0.5
115.91924	0.6
117.03338	17.3
118.03663	0.5
119.04907	26.6
120.05238	0.7
121.02827	1.5
123.04431	0.7
133.02831	0.5
145.02843	100.0
146.03198	4.3
150.80064	0.5
163.03906	18.7
164.04286	0.9
174.93373	0.9
183.13858	1.3
184.95395	0.8
192.95778	0.6
197.11487	0.4
218.82172	0.5
223.93465	0.5
244.97516	0.9
269.21210	2.0
287.22256	7.7
288.22556	0.5
361.12234	0.7
415.25146	0.9
433.00830	0.9
433.25919	35.3
434.26352	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	433.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30469	0.5
59.01249	8.1
61.15441	0.4
63.59437	0.5
68.12689	0.6
71.57778	0.6
93.03323	0.6
98.80948	0.5
101.02284	0.9
117.03339	18.6
119.04906	24.4
120.05264	0.8
121.02817	2.2
123.04422	0.5
133.02832	0.6
145.02844	100.0
146.03186	4.8
150.26511	0.5
163.03911	17.6
164.04300	0.8
174.93282	0.9
192.95824	1.3
226.93188	0.5
244.97536	0.8
260.95572	0.6
269.21136	1.2
287.22266	7.5
415.24603	0.7
433.25894	34.0
434.26154	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79362	0.3
57.03310	0.3
59.01248	100.0
59.38308	0.3
60.01585	0.9
65.00197	0.8
67.01750	0.4
69.91564	1.4
71.01251	2.4
72.99152	0.3
73.02785	0.5
78.77568	0.3
83.01292	0.6
85.02840	1.2
87.00726	0.3
89.02334	1.6
93.03353	1.1
95.01295	1.2
96.70222	0.3
99.00742	0.5
101.02338	1.3
107.01282	1.1
107.04930	0.3
109.02831	0.8
113.02303	1.4
117.03348	0.3
119.03411	0.5
119.04935	0.6
121.02841	0.4
123.00807	0.9
124.01580	0.4
125.02345	0.8
127.00244	0.3
128.46625	0.3
134.03709	0.7
135.00842	0.5
135.04402	4.5
139.00294	1.1
149.02365	0.3
151.00269	4.9
152.00955	0.3
153.01901	0.6
161.04570	0.4
163.03902	0.4
173.04486	1.1
175.03934	0.5
177.01875	0.5
177.05461	0.4
178.02675	0.9
179.03433	0.4
181.04913	0.4
191.03783	0.3
191.05595	1.2
192.04179	0.3
193.04938	2.0
197.11758	2.0
207.06593	0.7
218.05812	0.3
222.31523	0.3
239.10591	0.3
267.67834	0.3
271.06146	1.2
271.09564	0.3
283.05310	0.3
284.03333	0.5
284.06552	0.4
285.03857	0.5
286.04004	1.1
287.05637	4.1
288.05914	0.4
289.16821	0.3
303.10577	0.4
313.06345	1.3
343.08481	0.5
347.09479	0.7
358.10587	0.8
373.09015	0.4
373.13052	3.3
385.12784	0.3
403.10089	0.8
403.14291	1.0
418.12738	1.2
433.10385	1.4
433.15350	5.5
433.28299	1.1
434.15344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.4
59.01249	100.0
60.01576	0.9
61.01662	0.3
61.98710	0.8
62.92763	0.1
64.68491	0.1
67.01752	0.2
69.03337	0.2
69.53869	0.4
69.54300	0.6
70.61227	0.1
71.01250	4.9
72.99198	0.4
73.02818	1.4
75.00745	0.2
78.30482	0.1
78.54398	0.1
81.03330	0.2
83.01272	0.5
85.02821	1.8
87.00735	0.3
89.02316	3.3
90.97713	0.1
93.03344	0.8
95.01276	0.3
99.00744	0.3
101.02313	2.9
101.02906	0.2
102.02686	0.3
102.53243	0.1
105.64781	0.1
107.01246	0.2
109.02895	0.2
111.00761	0.2
113.02322	1.9
113.03056	0.2
119.03389	1.5
119.04899	0.7
120.03944	0.1
125.02370	0.3
131.03374	0.2
134.03635	0.4
135.04431	0.6
137.02411	0.2
143.03467	0.5
149.04466	0.2
151.00281	0.9
155.03392	0.2
159.02972	0.2
160.01595	0.2
161.04465	1.1
163.03899	0.2
173.04472	0.8
175.03952	0.3
179.05585	0.6
191.05539	2.5
193.05043	0.3
249.06174	0.2
255.10509	0.2
271.06097	1.8
271.08847	0.2
271.19284	0.3
287.05606	0.6
331.17700	0.6
373.21951	0.3
415.26935	0.2
433.11249	0.5
433.28308	3.2
435.76907	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
58.00455	0.5
59.01248	100.0
60.01583	0.8
63.79670	0.4
71.01249	5.6
71.35786	0.5
72.99191	0.7
73.02829	1.4
79.03348	0.4
80.75151	0.4
83.01249	0.6
85.02821	1.8
87.00745	0.4
89.02324	5.3
93.03311	0.6
95.01291	0.8
101.02332	3.8
102.76707	0.4
107.01252	1.0
108.02046	0.8
109.02853	0.5
113.02332	2.4
119.03379	1.6
119.04926	0.5
121.02808	0.5
125.02357	0.5
134.03632	0.4
135.04341	0.6
145.02910	0.5
148.01553	0.9
149.02371	0.4
151.00218	3.2
161.02364	0.7
161.04457	2.0
163.00209	0.8
163.03949	0.7
173.04395	2.2
178.99776	1.1
179.05522	1.1
185.05998	0.8
191.05513	1.7
203.03395	0.5
226.02580	0.5
227.03371	1.1
227.07034	3.6
243.02950	4.7
253.04967	0.9
254.02191	0.8
255.02942	10.7
256.03186	0.7
271.02469	24.2
271.05939	3.1
272.02838	3.0
299.01889	0.9
300.02719	48.1
301.03378	13.5
302.03790	0.8
313.06940	0.5
331.17480	0.5
373.18768	0.6
433.07599	27.3
433.24002	1.2
434.07803	3.0
443.02444	0.5
449.61087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07565	0.4
51.38503	0.4
53.57729	0.4
55.01764	1.4
57.03323	2.2
58.00462	1.7
59.01249	100.0
60.01580	0.8
63.02272	0.5
69.03341	0.6
69.18403	0.4
71.01250	33.4
71.04886	0.7
71.58037	0.5
72.01566	0.4
72.99189	2.6
73.02815	4.0
75.00750	1.2
81.03320	0.9
83.01256	4.1
83.04861	0.5
85.02814	9.3
87.00748	1.8
87.04398	0.7
89.02312	27.6
93.03345	1.7
95.01242	2.0
97.02849	0.6
98.71807	0.4
99.00760	1.9
99.04379	0.5
101.02316	20.1
101.29432	0.4
102.02634	0.6
105.76868	0.4
107.01281	1.2
113.02328	12.9
115.03897	0.4
117.03382	0.7
119.03384	13.4
119.04906	1.8
121.02800	0.4
125.02340	1.9
127.03928	0.5
129.01784	0.6
131.03416	1.3
133.02840	0.4
134.03677	0.5
135.04402	1.0
137.02304	1.1
139.00253	0.7
143.03400	2.9
145.02844	1.0
149.02408	0.4
149.04472	1.3
150.02634	0.4
151.00246	2.6
151.03894	1.3
152.00606	0.4
158.03540	0.5
159.02924	1.0
160.03975	1.5
161.02327	0.5
161.04437	5.6
162.03116	1.8
163.03903	5.7
166.06256	1.0
167.03406	2.3
173.04504	1.9
174.03244	0.5
175.03905	0.7
176.04723	0.9
177.05533	1.0
179.05556	4.6
191.03862	0.4
191.05534	2.4
193.05096	0.4
211.03911	0.9
212.04657	0.5
239.03481	0.7
240.04131	0.7
241.04237	0.6
242.04880	0.9
268.01001	0.9
268.03748	13.1
269.04153	13.9
270.04355	23.2
271.05090	5.8
271.19150	2.5
300.02728	0.6
313.06604	0.5
329.10284	1.6
344.12640	1.3
357.13464	0.7
359.14978	1.9
361.18570	1.1
364.43939	0.4
389.13577	0.6
403.13663	0.6
414.94180	0.5
433.10364	27.1
433.14914	1.6
433.24307	7.9
434.10574	2.3
434.24768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30729	0.6
59.01244	7.2
69.54379	5.2
71.01242	1.3
72.99163	0.6
80.04928	5.6
85.02838	0.6
87.00756	0.6
92.04947	1.4
93.03329	1.1
94.06511	7.2
96.00768	0.7
96.08064	2.9
97.01564	2.5
98.02331	0.8
98.05943	0.8
104.04919	2.0
106.06509	2.9
108.04409	2.4
109.05183	2.0
115.04998	0.8
120.04423	6.6
121.05239	1.6
122.06004	26.1
123.04403	1.4
123.06376	0.6
123.06714	0.6
124.03941	1.3
124.07569	30.6
125.07952	0.8
136.03923	8.4
136.07584	1.0
138.05505	1.5
140.07040	2.1
148.03941	52.0
149.04471	1.4
150.05496	11.4
152.07053	1.5
162.83820	0.9
164.07094	0.8
166.05008	13.8
168.06575	11.2
173.04520	0.8
194.04558	2.8
199.12288	1.1
210.04034	3.6
210.07780	0.7
215.11809	1.4
228.05162	0.8
228.08788	1.2
229.13422	1.7
231.11334	4.3
243.11313	3.4
245.12975	0.8
255.11340	2.4
273.12442	32.4
274.12653	2.4
275.10431	0.8
291.13501	29.5
317.11398	11.5
318.11700	0.9
334.11731	1.6
335.12460	100.0
336.12808	7.4
337.37564	0.6
389.20718	1.2
433.19815	6.8
434.19934	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46181	0.5
59.01257	4.9
67.11301	0.6
70.17651	0.8
70.73006	1.5
70.73351	1.1
71.01270	0.6
80.04930	6.1
80.93887	0.6
85.02851	0.8
92.04948	1.6
94.02855	1.2
94.06500	10.2
95.03650	1.4
96.08054	3.3
97.01572	3.5
98.05990	1.1
104.04941	3.2
106.02859	1.9
106.06512	3.7
108.04452	3.6
109.01540	0.7
109.02827	1.5
109.05210	2.8
110.05996	1.8
120.04431	9.0
121.05184	2.3
122.06004	34.7
123.04414	1.5
123.06754	1.4
124.03950	1.1
124.07567	38.8
125.07899	1.6
126.05522	1.1
134.05974	1.0
135.03171	0.9
136.03931	12.7
136.07524	0.7
138.05486	2.8
140.07069	2.8
148.03937	70.8
148.07542	1.5
149.04373	2.6
150.05508	18.4
152.03412	1.3
152.07021	1.2
164.03380	0.6
166.04999	18.2
168.06558	12.2
169.06819	0.7
178.12355	1.6
194.04462	3.1
199.12311	1.4
206.08037	0.7
210.03996	4.8
213.06648	1.6
215.08215	1.3
215.11830	1.8
227.08191	1.2
228.08958	1.5
229.13347	0.9
230.10355	1.1
231.11357	6.6
241.09755	2.3
243.11356	3.9
245.12933	1.0
255.11324	2.3
259.10812	1.6
273.12433	41.2
274.12778	2.4
275.10464	0.7
290.12683	1.7
291.13489	49.7
292.13773	2.5
317.11423	12.5
318.11795	1.4
334.11676	4.7
335.12454	100.0
336.12744	8.4
389.20740	5.3
433.19739	17.1
434.19373	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81610	0.6
55.01749	1.1
55.44955	0.7
57.03326	7.9
58.00454	1.1
59.01248	23.3
62.67885	0.6
67.01743	1.6
68.99687	2.3
69.03327	12.2
71.00848	0.6
71.01250	21.9
71.04882	2.3
72.99172	7.1
73.02813	2.7
75.00745	25.6
81.03334	1.2
83.01255	1.5
83.04894	1.1
85.02822	26.9
86.93669	0.6
87.00743	10.3
89.02319	7.4
91.30877	0.7
93.03332	3.3
94.27884	0.6
95.01241	5.8
97.02838	0.6
99.00751	13.4
101.02323	1.8
103.00225	2.8
109.02831	1.6
111.00787	2.0
111.04362	1.7
111.08041	1.9
111.54355	0.6
113.02324	28.5
113.05962	1.7
114.02632	0.8
115.00250	2.5
117.01824	3.0
117.03323	0.8
119.03384	0.8
119.04920	1.3
127.03897	0.8
128.39714	0.7
129.01811	2.5
133.02806	0.7
134.03592	1.0
135.04402	2.2
135.43515	0.6
139.11191	16.1
140.11511	0.8
150.97517	0.6
155.03378	0.8
157.01407	0.7
161.02345	1.3
173.04488	2.9
175.02495	3.8
175.03845	1.1
179.03381	2.0
181.32945	0.7
183.10178	21.3
184.10413	0.9
189.03993	1.1
191.05568	4.3
205.07185	1.1
231.05034	3.3
249.06126	30.2
250.06577	1.1
267.07251	10.9
271.05740	1.1
275.46225	0.7
283.05771	2.6
284.06345	2.8
285.06677	4.2
311.05530	2.5
312.05954	2.7
313.06165	8.9
325.06070	0.8
341.06842	0.7
343.07086	2.8
373.15021	0.7
415.15958	2.1
433.17081	100.0
434.17444	11.0
449.31485	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0776
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.13160	0.4
59.01244	5.3
69.30317	1.4
69.30745	2.2
71.01245	1.4
83.01263	0.6
85.02825	0.6
89.02304	1.3
89.36275	0.5
100.07827	0.4
101.02313	0.9
107.01254	1.4
108.02052	1.2
109.02837	0.7
113.02327	0.8
119.03407	0.9
119.04901	0.6
121.02811	1.1
135.00790	0.4
148.01556	1.0
151.00281	5.9
161.04578	0.4
163.00240	1.5
164.01042	0.7
169.01187	0.4
170.46500	0.3
173.04504	0.4
178.99759	2.3
183.04446	0.5
193.01189	0.4
199.03883	1.0
203.03468	0.4
211.03957	0.7
215.03419	0.6
216.04253	0.4
226.02634	1.1
227.03416	1.9
243.02960	8.3
244.03407	0.8
245.04562	0.5
254.02202	1.8
255.02954	19.2
256.03314	1.5
271.02463	44.0
272.02896	3.2
273.03979	0.5
283.02451	0.5
299.01950	1.4
300.02719	100.0
301.03421	27.5
302.03763	1.2
313.07181	0.7
335.07608	0.4
343.04398	0.6
433.07706	78.3
434.08017	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	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03325	1.1
58.00459	1.2
59.01248	100.0
60.01591	1.2
60.01867	0.3
61.98697	0.5
67.01762	0.2
68.99680	0.6
69.03326	1.4
71.01250	28.9
71.04866	0.5
71.58675	0.3
72.01598	0.6
72.99176	1.5
73.02814	24.0
75.00747	0.9
81.03367	0.3
82.78661	0.2
83.01254	7.3
83.04896	0.3
85.02819	5.3
87.00753	1.0
87.04390	2.5
88.98668	0.3
89.02310	8.9
93.03323	0.5
95.01243	1.3
97.02832	0.8
99.00750	2.7
99.04363	0.4
101.02319	23.2
102.02647	0.5
107.16797	0.2
108.02038	2.2
109.02827	0.9
111.00750	0.3
111.08028	1.6
113.02323	13.9
114.02687	0.3
117.01744	0.3
117.03341	0.7
119.03376	3.4
119.04892	0.2
121.02814	0.7
123.00768	0.3
123.04367	0.3
125.02343	1.5
129.01953	0.2
131.03377	1.8
132.02025	0.5
133.02826	0.4
133.06410	0.2
135.04375	0.5
137.02286	0.7
138.73137	0.2
139.03848	0.3
143.03380	2.2
145.02815	0.4
149.02370	0.3
149.04446	2.1
150.03091	0.4
151.00252	0.3
151.03847	0.5
152.01064	2.6
153.01807	0.9
153.09111	9.7
154.09506	0.5
155.03372	0.8
155.10643	0.6
160.01503	0.7
161.02359	6.2
161.04434	5.3
162.03058	0.3
163.00275	0.3
163.03954	0.7
165.01768	0.3
165.12761	0.3
170.74377	0.2
173.02344	0.9
173.04445	0.4
174.03043	0.3
175.03888	2.0
176.04700	5.5
177.05275	0.3
179.05490	1.2
182.24545	0.3
189.05414	0.3
190.02573	0.3
190.06216	0.9
191.03479	1.5
191.05432	0.5
191.07007	0.7
191.14314	0.5
203.05444	0.3
203.07149	0.3
205.05046	1.3
206.05759	1.4
209.15402	7.5
210.15685	0.5
220.07368	0.5
221.06248	0.3
221.08240	1.8
227.03433	5.4
227.16525	1.4
228.03790	0.4
241.05005	0.3
253.05028	1.1
255.02956	6.0
256.03461	0.9
268.03693	2.7
269.04510	1.4
269.17569	4.2
280.03473	0.3
281.04541	0.6
283.06097	1.7
284.03241	5.6
285.00977	0.3
285.03992	4.7
286.04276	0.4
295.06012	0.4
297.03778	0.7
309.03912	0.4
311.05569	2.6
311.08975	0.3
312.06174	0.6
315.07114	0.5
323.05420	0.4
324.06271	0.5
326.08029	0.3
327.08511	0.9
339.08600	1.6
340.09137	0.4
341.06534	0.5
341.10190	0.4
341.50134	0.3
342.10907	0.5
354.11026	1.7
357.13391	8.8
358.13483	1.0
371.20691	6.3
372.20746	0.4
389.21753	3.2
390.21939	0.5
413.12238	1.1
431.09589	11.1
431.21716	2.0
431.62686	0.7
432.10104	1.6
432.22891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2195
Annotation	PA(18:3(6Z,9Z,12Z)/0:0)
Peak:m/z	Relative Intensity
54.77982	0.2
59.01247	5.2
69.29489	1.0
69.29906	1.6
71.01231	0.6
78.95769	75.9
93.52798	0.3
96.95900	1.3
96.96828	6.1
137.10497	0.2
150.97900	2.0
152.99475	100.0
153.99797	1.4
171.00546	3.3
268.03745	0.6
270.69980	0.3
277.21698	0.9
283.06137	0.3
311.05615	0.9
358.05182	0.3
371.14923	0.4
371.20621	0.6
431.09781	0.6
431.22003	10.3
431.27951	0.5
432.22211	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01257	1.6
60.97701	0.2
62.96269	0.2
70.60865	0.4
71.01254	0.2
78.95777	54.4
96.95895	0.4
96.96844	6.8
110.23232	0.2
150.97946	1.9
152.99490	100.0
153.99847	1.6
161.04546	0.2
171.00558	3.9
184.69989	0.2
210.53249	0.2
277.21735	0.5
431.09741	0.3
431.21951	6.1
432.21930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34381	0.9
57.03333	1.1
57.24698	0.8
59.01252	100.0
60.01598	0.9
64.16617	0.8
69.03307	0.8
70.71160	1.3
70.71490	1.5
71.01253	4.6
72.99152	0.8
73.02814	1.8
83.01268	1.1
83.04897	0.8
85.02829	2.1
89.02312	1.5
101.02335	3.3
111.08057	1.6
113.02368	1.0
121.02835	1.5
161.04482	0.8
165.12761	13.3
166.13089	1.1
183.13834	20.2
184.14238	1.3
190.28732	0.8
207.13806	1.1
209.11780	1.2
221.15288	1.0
227.12851	12.9
233.11803	0.9
249.14897	1.7
251.12886	3.2
265.14343	1.4
268.03711	3.5
269.04529	1.3
275.12888	2.5
281.14035	1.2
283.06183	3.4
293.13968	12.0
302.28772	0.9
311.05643	5.1
341.06689	1.2
371.17053	1.4
389.29672	1.0
431.09689	4.7
431.22772	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23673	0.6
54.42846	0.5
57.03307	2.6
58.00440	0.6
58.69418	0.6
59.01248	48.6
68.37017	0.6
69.03308	1.9
69.47609	3.8
69.48024	0.9
71.01248	15.1
71.04871	0.7
72.99172	1.2
73.02817	10.5
75.00742	1.1
78.57705	0.7
83.01240	2.2
85.02808	2.7
85.29446	0.8
87.00732	1.1
89.02313	5.9
93.03328	1.2
95.01251	1.3
95.04903	0.8
96.95901	0.6
97.02828	0.9
97.06503	0.6
99.00761	1.0
101.02319	9.6
108.02060	2.0
109.02827	2.7
109.06504	1.0
110.03181	0.6
111.08029	3.5
113.02335	6.3
115.46725	0.6
119.03397	3.1
119.04906	0.6
121.02855	1.1
125.02325	1.8
127.07485	0.9
131.03323	0.8
133.02795	0.6
137.02307	2.4
145.02815	0.6
147.04419	0.6
149.04413	0.7
152.01051	2.8
153.01805	2.6
153.05452	0.6
155.03383	1.8
161.02353	0.6
161.04535	2.8
165.12755	35.0
166.13127	1.3
179.05525	0.8
183.13817	71.8
184.14146	3.7
191.05566	0.8
191.10747	0.7
197.15373	2.4
203.05486	1.2
207.13800	3.4
209.11778	3.7
209.15411	1.0
221.60106	0.6
225.08984	0.7
225.14859	1.2
227.12823	100.0
228.13184	5.4
240.72699	0.7
241.05174	0.7
245.05487	0.9
251.10461	0.7
251.12877	12.0
252.13402	1.0
263.12909	0.7
268.03674	4.5
269.04514	1.3
269.13956	1.4
277.80118	0.6
283.06009	1.4
293.13916	2.3
311.05554	3.2
335.15079	1.1
371.20673	2.1
387.27206	0.6
431.09485	5.1
431.19077	1.7
431.26465	1.8
445.26352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1558
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01759	6.6
57.03318	6.3
58.00465	2.5
59.01249	68.6
59.85218	1.3
68.99708	1.8
69.03324	5.0
71.01254	95.3
71.13817	1.7
72.99180	7.4
73.02817	26.8
75.00750	3.2
75.26271	1.1
81.03342	1.7
83.01260	18.4
85.02821	44.0
86.03151	1.7
87.00725	5.9
89.02316	30.4
93.03352	1.8
95.01261	9.6
97.02849	6.1
99.00755	13.0
101.02324	100.0
102.02630	2.0
108.25645	1.2
109.02843	13.7
111.00729	1.3
113.02331	39.8
119.03381	11.5
123.00755	4.2
123.04385	1.3
124.01564	15.0
125.02345	41.7
131.03357	2.3
133.02899	6.6
133.04979	1.9
135.00760	3.0
135.04393	1.4
137.02347	3.4
138.00636	1.3
143.03400	6.7
145.73103	1.2
146.81470	1.2
149.02324	2.5
149.99500	19.9
151.00249	2.2
151.03851	1.2
153.01828	16.6
159.02939	6.6
161.04471	37.8
167.03529	1.5
168.00552	33.5
169.01225	3.0
173.04485	1.5
179.05530	4.8
190.02727	1.8
191.05504	2.9
193.01308	1.3
198.02960	1.4
205.03448	1.9
248.30087	1.5
268.03766	5.8
268.42590	1.2
269.01584	1.9
269.04517	38.6
269.10300	62.7
270.04865	1.9
270.10648	4.0
313.05603	4.2
313.09161	1.6
331.06729	21.5
332.07062	1.8
399.05652	4.0
431.11111	20.1
431.15561	36.4
432.11026	2.1
432.16397	2.5
444.62045	1.2
445.30487	1.4
456.39365	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	431.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19493	0.7
56.69538	0.7
57.03321	3.7
59.01247	100.0
61.98711	2.6
65.03836	1.1
70.29613	2.6
71.01257	3.2
75.50845	0.7
76.91793	0.7
83.01281	1.0
85.02837	1.9
86.53052	0.6
87.00754	1.2
89.02312	4.2
93.03309	1.0
97.02777	0.6
99.04411	1.4
101.02340	1.8
109.02832	12.6
113.02356	1.1
125.02326	4.8
135.00801	1.0
137.02347	1.1
151.03967	1.8
153.01846	12.6
161.02319	4.6
161.04482	0.8
168.00671	1.1
176.04733	2.3
177.02025	0.6
179.03430	6.3
191.07077	1.1
194.05792	5.1
209.08127	16.9
209.10010	1.1
210.08382	1.0
391.16904	0.8
431.12122	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.3
59.01235	1.1
65.03828	7.5
67.01761	3.2
69.77165	1.5
71.01247	4.7
73.02813	0.9
85.02829	1.6
87.00750	1.1
87.04392	0.3
89.02310	31.2
90.02650	0.3
90.20287	0.2
91.01768	0.7
95.01275	0.3
98.20599	0.3
99.00755	0.6
101.02327	2.0
109.02828	94.3
110.03169	2.4
110.60344	0.2
112.96343	0.2
113.02332	1.2
125.02312	0.3
125.55351	0.3
133.02867	0.3
133.04953	8.0
134.05275	0.3
135.00766	10.8
135.04305	0.3
136.01074	0.4
151.03897	0.3
153.01830	100.0
154.02168	3.1
159.02924	0.3
161.04469	2.0
233.06425	0.3
271.08200	0.8
289.97241	0.2
315.07205	0.5
371.69592	0.3
387.08957	0.3
431.11887	17.6
432.12207	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	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89565	1.0
54.51017	0.9
57.03324	82.8
58.03662	1.3
59.01249	18.1
65.03833	1.6
65.55797	0.9
66.89790	0.8
67.01791	1.3
69.03320	3.5
71.01247	8.7
73.02824	2.6
75.99313	0.9
81.03355	1.6
83.01272	1.7
85.02825	3.8
88.46808	0.9
89.02317	12.2
97.02842	16.3
98.19739	2.2
99.00754	1.6
99.04395	46.4
101.02313	14.5
109.02835	37.0
109.03596	1.4
113.02326	3.4
116.37510	0.9
120.22382	1.0
123.00733	2.0
124.01508	1.1
125.02338	100.0
126.02683	2.5
133.04976	3.4
135.00763	3.8
147.48170	1.1
152.14772	0.9
153.01846	40.8
161.04466	5.5
168.00536	2.0
191.05560	1.2
203.05496	2.4
250.88106	1.0
313.05573	1.7
431.11938	13.3
432.12076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.2
59.01257	4.6
71.01260	7.2
71.53306	1.5
73.02814	1.3
81.03329	1.8
81.16982	0.7
83.01256	1.0
85.02816	6.8
87.00744	1.8
89.02317	19.9
93.03355	0.9
94.70846	0.7
95.01273	2.6
97.27924	0.8
99.04362	0.8
101.02310	2.2
108.02053	57.3
108.86782	0.7
109.02848	47.5
113.02313	2.8
121.02871	1.0
123.00757	3.4
123.04459	1.1
125.02316	1.8
133.04970	8.2
135.00737	1.4
137.02325	0.9
151.03906	1.4
152.01056	63.3
153.01845	37.8
153.02888	0.5
154.02107	1.2
161.04436	1.4
163.03934	1.3
165.01857	1.1
174.84473	0.8
176.05597	0.9
280.45200	0.7
297.06158	7.0
315.03821	1.3
315.07208	14.4
387.09277	12.2
431.11908	100.0
432.12207	11.3
455.75449	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08768	0.4
57.03332	0.6
57.87310	0.4
59.01250	8.7
65.03834	5.3
67.01765	2.4
69.03333	0.5
71.01251	8.4
71.01613	0.8
71.57471	0.8
72.99212	0.8
73.02810	2.4
75.00772	0.4
80.98531	0.5
83.01255	1.0
85.02822	3.4
87.00751	1.6
89.02315	26.2
89.14391	0.5
91.01773	1.0
95.01273	0.6
97.02834	0.9
99.00730	1.1
101.02328	5.1
109.02832	72.6
110.03158	1.4
113.02330	3.5
117.03347	0.6
117.05486	0.6
119.03398	1.1
123.00764	0.6
123.04404	2.9
125.02331	3.4
131.03397	0.5
133.02823	0.6
133.04968	8.1
135.00778	6.4
137.02370	1.0
139.00259	0.6
143.03391	0.6
149.99472	1.0
152.00993	0.5
153.01834	100.0
153.09074	0.9
154.02171	3.9
159.02884	0.6
161.04472	3.3
161.62630	0.4
163.05977	1.2
168.00594	2.5
168.01752	0.5
173.04439	0.7
175.03958	0.5
179.03296	0.6
179.05530	1.0
191.05493	1.2
223.13203	1.5
233.06619	0.5
268.03702	1.2
269.04404	1.7
269.06989	0.6
271.08237	0.9
285.09509	0.7
297.05878	1.4
311.05405	0.9
355.12900	0.6
385.18497	1.3
399.11682	0.7
431.11621	24.9
432.12119	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Galanginin
Peak:m/z	Relative Intensity
51.42196	0.5
55.84712	0.4
56.57648	0.4
59.01250	13.2
62.19991	0.4
63.02260	1.0
65.00208	1.1
77.03848	1.4
79.01773	0.9
83.01273	1.4
85.02831	1.7
87.00735	0.6
87.10346	0.5
89.02329	1.4
93.03356	2.2
97.12662	0.4
98.20543	1.2
99.00737	0.5
101.02325	1.7
105.03374	0.6
107.01276	2.1
109.02839	0.5
113.02337	1.6
117.03341	7.8
119.03410	0.4
119.04897	0.9
121.02830	1.9
133.02853	2.7
134.03610	0.9
135.00850	0.6
135.04422	2.0
148.01627	1.1
148.02870	0.4
149.02359	2.4
149.99541	0.5
151.00279	4.1
158.03595	0.5
159.04480	1.5
161.02357	3.2
161.04459	0.9
163.00270	0.6
163.03906	2.4
165.01794	1.0
167.60960	0.4
172.05121	0.6
175.03889	0.9
195.04414	0.7
196.05203	0.7
197.05934	1.0
199.03935	1.4
200.04417	0.4
203.03519	0.6
210.64717	0.5
211.03923	1.2
217.05016	0.6
218.20802	0.4
227.03398	1.4
228.04314	0.6
238.60580	0.4
239.03436	1.1
239.07101	1.7
240.04152	1.7
241.04964	0.7
253.05170	0.6
255.02992	1.0
256.03751	3.7
256.44009	0.4
262.50888	0.5
267.02954	0.7
268.03763	27.3
269.04474	9.1
281.04544	5.0
282.05301	1.9
283.02710	0.6
283.03339	0.4
283.06110	33.4
284.03262	68.7
284.06067	2.8
285.03989	35.4
286.04370	3.0
293.04575	1.4
295.06198	1.5
309.03943	0.8
311.05600	53.5
312.06076	4.4
314.04504	0.6
323.05640	3.3
341.06689	9.5
342.06955	0.9
371.20743	0.9
431.09808	100.0
432.10147	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	431.0978
Annotation	Isovitexin
Peak:m/z	Relative Intensity
59.01242	0.9
71.45725	0.9
73.66351	0.4
77.03835	1.4
79.01759	0.8
89.02311	0.5
93.03326	1.4
97.87779	0.5
105.03345	0.6
107.01258	0.5
117.03342	8.1
119.04876	0.6
121.02834	1.5
127.19902	0.5
133.02812	0.6
135.00757	0.7
135.04405	1.8
149.02318	1.6
159.04449	2.0
161.02341	2.7
162.63628	0.5
163.03912	3.0
165.01743	0.7
166.70346	0.5
168.54808	0.5
171.07867	0.4
179.03403	0.9
191.03435	1.6
196.05202	0.7
197.05919	0.5
203.03378	0.6
205.47284	0.5
209.06046	0.6
211.07545	0.9
225.05402	0.5
239.07016	1.5
243.06631	0.8
268.03748	2.0
269.04492	1.9
281.04517	2.5
282.05283	1.4
283.06091	40.9
284.06400	3.7
293.04550	1.6
295.06128	1.1
311.05582	100.0
312.05963	9.1
323.05630	3.3
331.90149	0.4
341.06586	9.1
342.06781	1.3
353.06650	1.0
431.09781	63.3
432.10147	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	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01588	1.0
60.01880	0.5
69.65497	2.1
69.65908	0.8
86.49867	0.4
89.02312	0.6
91.03877	2.2
125.20996	0.4
195.13878	1.1
244.02373	0.4
277.21960	1.2
295.22794	11.4
296.23224	1.5
301.99210	0.5
349.51596	0.4
405.32874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68422	0.1
54.49711	0.1
59.01249	1.1
63.02248	0.9
65.00169	0.7
69.29383	0.3
69.29789	1.1
71.01249	0.3
73.02796	0.2
83.01266	0.9
107.01260	2.4
117.03340	1.9
121.02787	0.3
132.16833	0.1
148.01567	0.6
149.02335	1.4
149.99474	0.6
150.99123	0.2
151.00272	3.7
152.00612	0.2
158.03587	0.2
167.04961	0.3
169.01367	0.7
171.04471	0.8
172.05209	0.7
183.04430	0.4
184.05199	0.5
195.04451	0.5
196.05263	1.0
197.05878	0.3
199.03978	0.3
200.04712	0.8
201.05392	0.3
211.03914	1.7
212.04713	0.9
224.04628	0.3
225.05452	0.5
239.03453	3.6
240.04233	4.5
241.04529	0.3
257.85428	0.2
267.02991	2.0
268.03754	100.0
269.04449	29.1
270.04865	1.6
281.04596	0.4
282.04834	0.2
283.05850	0.9
311.05679	1.3
323.05789	0.3
326.67767	0.1
341.06696	0.4
431.09805	71.1
432.10150	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	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78774	0.4
51.82584	0.4
57.03331	0.5
58.00449	0.6
59.01247	100.0
60.01585	1.0
69.03331	0.5
71.01250	11.9
71.20396	0.4
72.99169	0.8
73.02827	1.2
83.01285	0.5
85.02814	2.6
87.00771	0.9
89.02313	17.3
95.01286	0.7
100.39370	0.4
101.02326	7.0
101.02923	0.7
104.34375	0.4
113.02335	5.0
119.03384	7.2
131.03433	0.6
137.09639	2.0
141.57921	0.4
143.03436	1.5
149.04472	0.5
161.04518	1.6
179.05499	2.9
230.35905	0.6
249.11365	0.8
284.03293	1.3
285.04114	1.5
369.19266	0.9
387.20508	1.3
429.08466	1.6
429.21872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	100.0
60.01588	1.0
60.01880	0.5
69.65497	2.1
69.65908	0.8
86.49867	0.4
89.02312	0.6
91.03877	2.2
125.20996	0.4
195.13878	1.1
244.02373	0.4
277.21960	1.2
295.22794	11.4
296.23224	1.5
301.99210	0.5
349.51596	0.4
405.32874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01755	1.5
56.03866	0.5
57.03321	2.5
58.00465	0.9
59.01250	100.0
60.01585	1.1
60.81247	0.3
69.03335	0.9
69.47220	0.8
69.47639	2.1
70.35855	0.3
71.01253	23.6
72.01608	0.5
72.81029	0.4
72.99187	1.8
73.02817	7.9
76.33879	0.3
83.01255	3.5
85.02820	9.7
87.00752	2.1
89.02314	11.6
95.01266	1.9
97.02865	1.0
99.00728	1.9
101.02320	16.5
101.02997	0.9
101.85249	0.4
106.09467	0.4
109.02905	0.4
111.00794	0.4
113.02329	9.7
119.03374	5.6
121.80952	0.4
125.02354	1.2
131.03407	0.4
137.09653	1.0
143.03426	1.4
151.07637	0.5
151.11203	0.7
152.08369	1.3
153.12807	0.4
161.04472	2.0
163.11148	0.7
179.05493	0.4
179.14354	0.6
181.12364	0.4
189.95853	0.4
195.06572	0.4
195.13853	1.4
197.15422	1.5
205.12453	0.4
207.13869	2.2
225.11488	0.4
225.14903	9.5
226.15323	0.5
348.66553	0.4
362.84387	0.4
369.15326	0.8
369.19177	26.0
370.19431	2.7
387.20255	40.4
388.20557	4.5
397.89383	0.4
427.71371	0.4
429.21335	10.8
430.21674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01727	0.2
57.03323	0.6
58.00473	0.8
59.01248	100.0
60.01585	0.9
64.85110	0.3
65.03836	0.5
67.01754	0.3
69.03323	0.5
70.28291	0.2
71.01250	11.9
72.99188	0.8
73.02815	1.3
83.01247	0.5
84.44345	0.2
85.02818	2.6
87.00765	1.0
88.98171	0.2
89.02312	16.7
90.02668	0.3
91.01772	0.9
95.01276	0.7
98.19836	0.7
99.00773	0.4
101.02315	6.4
103.05320	0.2
108.02016	0.3
109.02834	5.1
113.02309	5.2
113.03043	0.4
119.03380	6.7
121.06505	0.2
125.02322	0.3
129.01839	0.3
131.03426	0.9
135.00769	2.7
137.09610	2.3
142.72356	0.2
143.03372	1.6
149.04503	0.6
153.01833	12.0
154.02170	0.6
161.04462	2.7
173.04439	0.3
179.05519	4.9
182.85124	0.2
185.00824	0.4
205.12225	0.6
223.13451	1.0
249.11331	0.4
267.12393	1.1
291.12415	0.3
369.19391	0.4
370.10593	0.4
387.20343	0.6
429.09598	0.8
429.16998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56003	0.4
59.01245	1.2
85.54018	0.5
91.93011	0.5
98.20552	1.4
99.92453	5.7
100.12904	0.5
100.93235	2.2
115.91958	100.0
116.91959	5.4
116.92754	6.1
132.92244	0.9
172.95358	4.7
228.91296	0.5
229.37009	0.8
255.23273	1.0
291.42816	0.5
429.19513	3.7
430.19604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.7
59.01248	100.0
60.01576	0.7
69.03328	1.5
69.34963	5.0
69.82475	0.6
71.01250	14.8
72.99177	1.3
73.02812	3.4
83.01229	1.3
85.02814	6.4
85.39761	0.6
85.61972	0.5
87.00762	2.0
89.02316	5.9
95.01270	1.7
98.19791	1.1
99.00774	1.6
99.31823	0.7
101.02315	6.9
101.02909	0.7
109.02852	0.6
113.02322	9.4
119.03416	2.5
125.02306	1.0
131.03419	0.6
137.09526	0.7
143.03375	1.3
152.08333	1.0
161.04494	1.5
173.04315	0.6
179.05685	0.8
191.05576	0.7
195.13809	0.7
197.15387	1.1
205.12352	1.3
207.13850	1.7
212.10649	0.5
225.14870	4.3
231.16158	1.1
369.19147	31.0
370.19559	3.0
385.11493	0.6
385.16531	0.6
387.20227	24.2
388.20715	2.4
393.17816	1.8
429.21677	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	429.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62055	0.5
51.65570	0.5
55.01743	0.5
57.03329	2.5
58.00469	1.3
59.01248	100.0
60.01584	1.1
60.99165	0.6
61.06551	0.5
62.77514	0.6
69.03326	7.0
71.01251	13.0
71.04904	0.6
71.58895	0.9
72.99181	1.8
73.02821	2.3
80.67381	0.5
81.03296	0.7
83.01270	2.5
83.04919	1.2
83.77544	0.5
85.02818	5.0
87.00748	5.8
89.02309	13.5
89.49383	0.5
93.03344	0.6
95.01276	1.2
95.04918	0.5
96.95917	0.5
97.02875	1.5
97.06467	5.1
99.00779	2.3
101.02320	9.3
107.04909	11.5
109.02820	0.7
109.06455	0.6
111.04448	0.7
112.68165	0.7
113.02338	7.1
119.03371	4.5
120.05706	2.1
125.02359	0.9
131.03374	1.2
133.02866	1.8
134.03601	1.2
135.04410	21.3
136.04755	1.1
141.01926	0.6
141.05475	1.1
143.03474	0.7
143.37561	0.6
148.01485	0.8
149.86906	0.6
151.00322	2.4
159.08081	1.0
159.11743	0.8
161.04480	2.2
161.09634	9.1
161.13268	4.0
163.00386	0.7
163.11209	2.1
179.05582	1.9
185.00819	4.4
187.11217	13.4
187.12810	0.9
188.11563	0.7
189.09142	5.0
193.06505	0.5
198.38145	0.5
200.04770	0.7
203.10852	1.6
205.12262	6.3
207.10143	3.8
223.13347	55.4
224.11659	0.8
224.13667	4.2
227.03476	0.6
229.12355	1.6
231.10219	0.7
239.03630	0.6
243.12196	0.7
249.11264	5.2
256.03806	1.9
265.14417	0.7
267.12357	52.7
268.03738	2.7
268.12650	3.3
269.04626	1.9
281.04840	0.5
284.03256	31.2
285.03955	10.9
291.12335	0.9
297.04126	1.4
297.09778	1.3
309.13562	1.1
311.05609	0.6
327.05154	1.3
369.15417	1.1
369.19519	1.0
387.20483	1.0
429.08331	31.1
429.13254	1.9
429.17978	5.2
430.08661	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87462	0.5
57.03323	4.0
57.33573	0.5
58.00466	0.9
59.01248	100.0
62.45506	0.5
71.01248	17.0
71.04900	0.9
71.38262	1.1
72.99172	1.1
73.02820	3.6
82.25201	0.6
83.01250	2.6
83.04903	1.5
84.14699	0.5
85.02823	4.6
86.03146	0.6
87.00736	5.3
89.02310	13.8
89.02827	1.0
90.20617	0.5
93.03298	0.9
95.01263	1.5
96.95918	0.7
97.06460	6.0
99.00710	1.0
101.02319	8.7
107.04906	12.6
108.02040	0.7
109.02844	1.7
109.06538	0.6
113.02322	7.5
119.03387	4.8
120.05699	3.0
131.03439	0.9
133.06522	3.2
134.06853	1.2
135.04402	4.0
141.05466	1.2
143.03395	0.8
145.10139	0.8
152.04662	0.9
153.01895	1.5
157.06497	0.7
159.08063	1.1
159.11696	1.1
161.04475	2.6
161.09624	8.8
161.13271	4.0
163.03902	0.6
163.11241	2.9
179.05583	1.8
185.13341	0.7
187.11205	14.0
188.11502	1.0
189.09081	5.0
203.10748	2.1
205.12251	5.6
207.10199	3.9
223.13342	60.9
224.13730	2.5
229.12305	2.1
249.11224	5.0
267.12360	63.1
268.12613	4.7
275.13470	0.6
284.03323	1.7
285.04065	1.2
309.13507	1.8
369.15460	1.0
429.09189	0.9
429.11160	0.8
429.17291	6.8
430.18021	1.0
452.80518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.7
57.03323	0.8
58.00483	0.5
59.01251	96.4
60.01579	0.8
69.03334	1.5
70.47160	0.4
70.98436	1.2
71.01251	22.8
72.99173	2.7
73.02818	25.8
75.00748	1.3
77.94302	0.4
83.01255	7.3
85.02821	3.9
87.00764	1.5
89.02309	4.2
93.03348	0.8
95.01276	1.0
95.04904	0.6
97.02837	0.7
99.00721	0.8
101.02320	18.6
102.02674	0.7
108.02058	0.7
109.02842	0.6
109.06461	0.9
111.00783	0.6
113.02325	5.1
119.03400	1.4
121.02829	0.6
123.04494	0.4
123.36742	0.4
125.02345	1.2
129.01779	0.4
131.03394	0.7
135.04369	0.7
137.02353	0.6
137.91058	0.4
143.03406	0.8
147.08076	1.3
149.02356	0.6
149.04510	0.8
151.03903	1.7
152.01054	0.9
153.01833	1.3
155.03419	0.4
161.02380	1.1
161.04471	1.8
163.11201	59.1
164.11583	2.8
165.01872	0.4
173.04498	0.9
177.01889	0.5
191.05566	1.3
205.05061	0.6
207.10173	1.4
209.11732	1.1
223.04483	0.9
225.11249	0.7
267.07224	0.6
283.05984	0.5
284.11099	0.4
296.28717	0.4
339.05011	0.7
363.11273	0.5
369.06134	0.7
369.15359	2.8
387.11575	0.6
387.16577	11.9
388.17014	0.8
389.13736	0.4
429.17642	100.0
430.17941	9.0
431.15384	0.4
445.70084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.5
57.03348	0.5
57.23780	0.4
59.00967	0.6
59.01249	15.6
66.60968	0.4
69.03371	0.9
71.01250	7.8
71.57917	0.6
71.58320	0.4
72.99209	0.7
73.02815	3.9
75.00784	0.5
83.01269	2.0
85.02813	4.0
87.00803	0.9
89.02383	1.3
91.01820	0.9
93.03400	1.5
95.01315	0.6
99.00816	1.4
101.02323	6.5
106.01057	0.4
107.04971	0.9
108.02110	0.6
109.02866	0.4
111.00775	0.6
113.02345	2.9
117.03343	0.4
119.01270	4.0
119.04935	0.5
121.02840	2.0
125.02433	0.4
133.02870	0.4
134.03679	1.5
135.04413	2.5
137.02382	0.4
144.17252	0.4
147.00752	3.5
147.04466	0.7
149.02339	9.6
150.02748	0.6
152.01129	0.9
153.01938	0.4
158.17851	0.4
161.02353	0.8
161.04483	1.3
162.03145	1.1
163.03886	3.1
163.11183	7.3
164.04701	12.0
165.01875	1.4
165.05270	0.7
167.03418	0.7
173.04575	0.6
175.00278	25.7
176.00645	1.3
177.01865	0.8
179.03342	0.5
179.07034	3.0
189.01805	0.8
190.02635	79.9
191.02989	4.1
191.05534	1.1
193.01442	0.4
205.04994	100.0
206.05339	5.5
207.02879	1.3
207.06514	0.5
208.03680	0.8
209.04478	0.9
223.06073	27.2
223.07967	1.1
224.06418	1.0
311.20233	0.4
369.15231	1.0
387.16229	1.6
414.11670	2.2
429.13583	52.1
430.14001	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	429.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
55.29445	0.3
57.03309	0.3
59.01253	4.6
65.00184	0.7
65.03830	5.3
67.01759	1.9
69.03342	0.5
69.43203	0.7
69.43610	2.5
71.01251	3.4
72.99183	0.9
73.02822	2.0
81.03365	0.4
83.01260	0.9
85.02802	3.3
87.00744	0.5
89.02321	0.9
91.01765	22.0
93.03323	0.7
95.01276	1.2
97.02827	0.7
97.47144	0.4
98.20508	0.7
99.00778	1.7
101.02325	1.3
107.04855	0.4
108.02065	1.0
109.02831	90.2
110.03163	2.2
113.02320	5.3
119.04892	0.7
121.02847	2.0
123.04401	2.3
125.02322	0.6
127.03900	0.4
131.04910	0.6
133.02852	1.6
133.06480	0.4
135.00769	48.0
135.04369	1.1
136.01115	1.2
136.80408	0.3
137.02345	9.3
138.02577	0.3
143.04973	0.4
145.02884	0.5
147.04395	2.7
148.01569	3.0
149.02316	1.6
149.05943	1.6
151.03922	1.5
153.01836	41.9
154.02170	0.9
159.04405	1.3
161.02333	0.9
161.05969	1.2
163.03893	1.7
165.05505	1.6
174.13876	0.3
175.03940	2.0
177.01860	1.5
177.05498	1.7
184.47752	0.3
187.03896	3.0
189.05486	0.4
191.03404	0.6
205.04993	3.6
223.06088	1.2
249.57246	0.4
297.06186	1.2
318.24860	0.4
385.11621	0.9
395.51691	0.4
419.46167	0.4
429.10336	100.0
430.04797	0.5
430.10678	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19325	0.5
59.01252	100.0
60.01574	1.0
61.01357	0.5
67.01718	0.7
70.55472	0.6
71.07704	1.0
71.08032	0.9
82.15031	0.6
91.03881	3.5
96.86636	0.6
136.39482	0.7
195.13857	1.1
198.28017	0.6
293.21213	14.5
294.21573	1.1
370.35217	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51524	0.8
59.01254	100.0
61.40724	0.8
70.79834	0.8
71.58693	1.3
148.90860	5.0
233.19131	0.9
367.07684	3.9
406.15616	0.9
427.10010	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	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69827	0.8
59.01253	100.0
60.01569	1.3
71.19122	1.4
71.19446	1.0
75.12421	0.8
77.00592	0.8
143.80078	1.0
153.20505	0.9
163.67766	0.9
228.71628	0.8
240.99483	1.0
293.21152	4.2
325.73911	1.1
330.05353	2.4
345.09915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74919	0.6
57.03332	0.7
59.01247	100.0
60.01588	0.7
69.03346	0.6
69.45810	4.0
70.73936	0.5
71.01256	12.5
73.02821	5.2
83.01270	1.8
83.04873	0.7
84.02022	0.5
85.02809	4.3
89.02295	2.6
93.03362	0.7
95.01258	1.3
97.02850	0.8
98.19743	1.0
99.00774	0.8
101.02302	5.4
108.16267	0.6
108.59513	0.6
113.02325	8.6
113.03061	0.8
123.08068	0.7
123.61196	0.5
125.02340	0.6
125.05962	0.7
135.04344	0.8
136.05217	1.2
138.06764	4.8
139.07542	1.6
143.03413	1.1
151.07527	4.3
152.08334	15.8
153.09111	27.9
154.09467	0.8
161.04454	3.0
161.09685	0.7
165.09148	1.2
173.04506	0.5
179.05745	0.7
190.09918	0.9
205.12257	12.3
205.14030	0.9
206.12700	0.7
223.13316	3.5
367.17587	11.7
367.22006	0.9
368.18073	1.1
385.18900	1.6
427.19876	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	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16439	0.3
55.01755	0.7
57.03325	1.4
58.00479	0.7
59.01249	100.0
60.01585	0.8
69.03330	1.3
71.01251	21.4
72.01604	0.6
72.99199	1.1
73.02818	14.7
75.00762	0.6
80.59260	0.4
81.03322	0.4
83.01247	4.5
83.04872	0.7
84.58636	0.3
85.02823	6.0
87.00770	0.8
89.02317	5.1
93.03352	1.1
95.01263	1.7
95.04893	0.9
97.02834	3.1
97.06451	0.3
98.19725	1.2
99.00766	1.2
101.02322	12.9
101.02995	0.6
107.04878	0.5
108.05681	1.1
109.02832	0.7
109.06495	1.3
111.04395	0.8
113.02322	8.3
113.05987	1.4
114.02630	0.3
119.03376	1.1
119.04916	0.9
122.03642	1.1
123.08009	2.0
125.02307	0.8
125.05984	1.1
131.03334	0.8
134.03592	0.6
135.04413	0.9
135.08092	0.4
136.05196	2.2
137.02402	0.4
137.05957	0.5
138.06763	10.7
139.07561	3.9
143.03427	1.3
147.04430	0.6
149.04471	0.3
149.06018	0.7
151.07552	10.3
152.04738	0.9
152.08337	21.0
153.09114	55.3
153.83720	0.4
154.09447	2.5
155.03419	0.3
159.02991	0.4
160.01515	0.3
161.04446	4.2
161.09695	0.4
161.23328	0.3
163.03992	0.4
163.11186	1.2
165.09140	2.0
165.36476	0.4
167.06982	0.4
168.19534	0.4
173.04463	1.5
175.03888	0.5
179.03510	0.5
187.11229	0.8
190.09930	1.2
191.05566	1.4
203.05516	0.5
205.12273	20.8
206.10915	0.4
206.12514	1.8
219.02780	0.4
223.05870	0.4
223.13354	6.7
229.12289	0.6
230.54265	0.4
230.56435	0.6
251.07668	0.6
348.52878	0.4
364.23734	0.4
367.17545	4.3
368.17978	0.8
385.18646	2.1
427.19592	1.0
448.85553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01756	0.7
57.03325	1.5
58.00468	1.4
59.01249	100.0
60.01574	1.3
69.03342	2.0
71.01252	38.5
72.01604	0.6
72.99184	2.2
73.02818	38.9
74.03149	0.5
75.00741	0.9
81.03308	1.0
81.08186	0.2
81.19063	0.3
82.06419	0.2
83.01257	12.9
83.04874	0.3
85.02824	7.6
87.00774	1.7
87.27261	0.3
88.36542	0.3
89.02314	12.4
90.02651	0.3
93.03326	1.0
95.01257	2.0
96.54121	0.3
97.02841	1.2
97.06492	0.4
99.00749	1.7
99.04364	0.7
101.02322	37.5
101.60665	0.3
102.02654	0.7
105.04349	0.3
107.04884	0.4
109.02876	0.3
111.00732	0.3
111.04392	0.3
113.02325	16.1
114.02664	0.5
119.03384	5.2
119.04874	0.5
123.04410	0.5
123.08036	1.5
125.02351	2.0
131.03374	3.3
134.03529	0.5
135.04379	0.7
135.08009	1.1
137.02274	0.3
143.03413	3.7
147.08083	1.6
149.04436	2.5
153.09122	8.5
155.03412	1.2
159.02841	0.3
160.01497	0.4
160.03951	0.3
161.02324	0.6
161.04456	11.0
161.05814	0.7
163.03917	0.9
165.09061	0.5
171.08002	0.3
173.04445	1.6
174.04793	0.3
175.00262	0.5
175.03955	0.6
175.11185	0.3
179.03400	0.3
179.05460	2.1
179.10664	0.5
185.00798	0.6
187.11171	1.7
189.09116	0.3
190.02586	1.0
190.09872	0.5
191.03554	0.4
191.05455	1.7
193.04887	0.5
203.05540	0.6
203.10632	0.9
205.04984	0.9
205.12280	12.0
206.12573	0.7
209.04416	0.8
221.06464	0.9
223.06058	0.7
223.13367	2.2
328.16006	0.3
336.20224	0.3
367.10217	0.6
367.17587	3.7
367.27682	0.3
368.17697	0.7
380.51447	0.3
385.13852	0.4
385.18671	6.6
386.18765	0.5
427.19949	3.6
428.19772	0.5
431.09430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95427	0.5
57.10095	0.5
59.01252	100.0
59.10490	0.5
60.01583	1.4
67.40213	0.5
69.03322	0.6
69.28835	5.2
70.47597	0.7
90.93256	1.0
96.95886	0.5
98.19791	1.3
109.50619	0.6
127.06546	0.6
135.04379	5.0
142.81677	0.6
155.03430	0.7
240.20476	0.5
281.69376	0.5
291.19669	3.9
303.16077	2.1
418.21741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76472	0.3
57.55991	0.3
59.01247	100.0
60.01584	1.2
69.03342	0.4
69.44904	0.7
69.45317	1.8
70.72332	0.3
71.01260	1.4
73.02864	0.4
85.02839	0.6
87.00738	0.5
89.02330	0.9
93.03311	0.3
101.02348	0.5
112.78824	0.3
113.02329	0.5
115.00277	0.4
121.02843	3.8
124.01519	0.3
125.02311	0.5
128.12605	0.3
148.05194	6.9
163.07547	5.8
164.04567	0.3
164.07886	0.4
168.00629	0.4
175.02417	0.8
190.02715	0.4
196.63257	0.3
267.91827	0.3
321.17133	0.3
427.19940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05048	0.3
69.39974	2.4
77.81387	0.2
78.95300	0.6
78.95771	11.6
94.98890	0.3
110.98412	8.5
130.96556	0.3
136.99904	0.4
147.49333	0.3
167.01068	9.2
185.02098	2.8
255.23256	100.0
256.23605	8.4
258.81274	0.3
366.11679	0.3
423.25168	15.3
424.25433	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	425.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90566	0.6
57.82264	0.6
59.01252	100.0
61.98721	0.8
66.80005	0.6
66.92561	0.6
67.76097	0.6
69.62682	0.7
71.01270	0.5
71.45852	1.0
81.17972	0.6
89.16029	0.7
89.92470	0.8
90.93206	3.0
135.04436	1.6
135.15791	0.6
147.81859	0.6
181.05008	0.7
194.18866	0.7
267.05377	1.0
291.19556	3.3
327.07736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1809
Annotation	Bonanniol A
Peak:m/z	Relative Intensity
51.78001	0.5
57.75719	0.5
59.01237	1.6
60.34429	0.4
65.14558	0.4
65.17053	0.4
71.56887	1.0
78.95763	0.5
96.95848	0.7
102.05314	0.5
102.95715	0.5
105.03335	12.7
117.03343	0.5
121.02842	1.9
134.03606	3.1
135.04402	100.0
136.01579	0.9
136.04723	4.2
143.04927	1.0
144.05591	0.5
149.02309	1.4
161.02319	1.2
167.03398	3.0
171.04401	1.5
173.05995	0.7
210.10341	0.6
225.12733	0.8
229.52141	0.5
255.23312	1.0
267.06866	0.6
285.07465	0.6
287.12854	14.7
288.13205	1.1
305.13913	17.3
306.14233	1.1
405.16891	3.0
423.18091	39.8
423.27393	2.1
424.18518	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	423.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12790	0.3
78.95777	11.7
104.97337	0.8
110.98412	8.1
136.99933	0.4
152.99471	0.4
167.01080	12.4
167.64505	0.3
185.02171	2.1
222.37445	0.3
230.09349	0.4
255.23273	100.0
256.23611	8.6
278.20938	0.4
357.04901	0.3
364.29785	0.4
423.25189	17.8
424.25446	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46146	0.2
54.77596	0.2
57.62207	0.2
59.01240	0.6
65.03833	0.3
67.01758	0.3
70.73708	0.3
70.74055	0.4
78.57748	0.2
80.02541	0.4
91.01775	0.3
91.05413	0.4
93.03327	0.3
94.23521	0.2
96.95893	0.2
97.02806	0.5
107.04920	0.8
108.02052	3.4
109.02843	1.2
117.03339	0.5
119.04856	0.2
121.02833	3.4
122.03600	0.7
123.00744	0.2
133.02867	1.0
134.03622	3.3
135.04408	100.0
136.04744	4.4
143.04945	0.8
144.05695	0.6
145.02859	1.4
145.06474	0.6
146.03455	0.2
149.02319	0.4
152.01048	5.5
153.01656	0.3
157.06516	0.8
159.04443	0.8
159.08084	0.7
161.02388	1.5
161.05994	0.5
165.01859	2.2
175.07521	0.3
181.06529	0.4
187.03926	1.4
188.04683	0.6
201.05515	1.7
202.05971	0.3
203.07031	0.3
205.05011	0.3
209.09744	0.2
219.06604	1.6
225.12706	0.3
241.12294	0.5
243.13861	9.6
244.14259	0.8
255.06721	0.2
261.15115	0.3
269.11810	2.2
270.05426	0.4
287.12869	11.8
288.13232	0.8
289.08896	0.2
295.06125	0.4
305.13873	1.3
325.07361	0.3
342.10760	0.2
351.00281	0.2
363.12695	1.2
405.16986	1.5
423.18121	41.1
424.18445	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	423.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00994	0.3
59.01250	3.7
59.49624	0.2
67.01753	0.2
69.03291	0.5
71.23267	0.3
71.23590	0.4
83.04890	2.9
87.44407	0.2
91.05386	0.3
93.03345	0.3
95.04872	0.4
97.02841	2.8
103.91910	0.6
106.04110	0.8
107.04904	1.5
109.02816	0.3
119.04871	0.2
121.02821	0.5
123.08043	0.3
129.88367	0.2
130.04132	1.1
131.08536	0.3
133.02847	0.6
134.03622	3.0
135.04413	100.0
136.04733	3.6
137.09625	0.4
141.09106	0.3
143.04907	1.2
144.05714	0.6
145.06526	1.4
146.93724	0.5
147.08038	1.0
148.01569	0.3
149.02298	0.4
152.01085	0.3
157.06490	0.5
159.04454	0.3
159.08066	1.6
161.02347	4.1
162.02965	0.4
168.42754	0.2
171.08069	0.6
173.09625	1.8
174.10028	0.3
188.04692	0.3
199.07573	0.3
201.05531	0.3
211.97710	0.3
216.07903	0.9
217.08603	1.2
243.13814	1.3
261.15033	0.4
265.05365	0.3
270.05450	0.3
279.06686	0.2
281.08560	0.5
287.12888	22.7
288.13135	1.9
291.82382	0.3
305.13931	8.6
306.14410	0.8
325.07327	1.2
355.87946	0.2
363.12772	0.6
405.17130	1.6
423.18344	40.0
424.18707	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	422.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71131	8.1
56.46429	8.8
56.88153	7.9
57.03323	15.3
59.01241	27.3
64.79018	8.1
70.92101	18.6
71.01254	37.0
72.99185	12.4
73.02800	9.6
74.02361	20.0
83.01279	9.7
85.02816	68.1
86.02341	14.2
87.00723	12.3
93.03342	17.5
99.05474	11.0
101.02355	11.2
102.52495	8.4
109.06465	12.3
109.46736	8.4
113.02347	11.6
127.07521	24.9
128.03444	55.4
128.04222	9.0
128.07889	14.5
129.01852	45.5
130.02130	9.7
135.04399	19.6
137.02284	10.7
143.04527	69.5
165.05493	14.0
173.04442	12.3
191.05516	34.5
195.06496	11.1
205.03453	21.6
210.08737	10.8
254.07869	15.1
272.08850	24.4
306.07602	100.0
326.68286	8.7
422.14093	58.3
422.19125	11.1
433.68588	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	421.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30238	0.6
54.77717	0.6
59.35788	0.5
71.05977	0.6
71.06304	1.2
71.74982	0.6
78.82664	0.5
78.95770	28.3
110.98409	50.5
146.68832	0.5
152.99503	3.6
167.01085	1.0
182.00275	0.5
185.02119	100.0
186.02486	1.9
253.21692	27.2
254.22029	2.0
271.79309	0.6
361.17767	0.5
421.23706	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15847	0.8
59.01249	100.0
60.01570	1.3
62.12021	1.0
71.01246	4.8
71.58752	1.6
72.99156	1.2
73.02821	1.8
74.00819	0.8
75.00743	1.3
83.01260	1.2
85.02840	3.0
89.02312	2.5
101.02319	4.7
109.02839	6.0
113.02316	2.0
125.02257	1.2
137.02332	1.1
151.03908	1.5
151.39810	0.9
153.01801	1.2
153.05486	1.6
155.03465	0.9
159.06696	0.9
161.04431	2.4
171.10170	1.9
173.04300	1.3
181.04970	30.8
182.05380	1.3
185.11778	1.3
191.05579	1.6
196.07329	28.3
197.07697	1.8
211.09685	45.3
212.10016	1.5
296.74332	0.9
301.16455	2.7
319.17575	10.4
350.10046	0.9
361.18729	6.8
421.11328	3.0
421.16766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2077
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
52.04675	0.5
55.01749	5.9
57.03319	6.2
58.00463	3.6
58.02853	0.8
58.91667	0.6
59.01246	73.0
60.01595	1.0
61.33659	0.5
67.01743	0.6
67.35706	0.6
68.99676	0.5
69.03323	3.1
69.47121	1.0
69.47527	4.1
71.01248	100.0
72.01588	2.2
72.99167	4.9
73.02812	23.3
75.00753	2.4
81.03336	2.6
83.01249	13.5
84.02030	0.9
84.72945	0.6
85.02817	36.0
85.99952	0.7
86.03177	1.0
87.00740	5.8
89.02310	50.3
89.64177	0.5
90.02628	0.6
95.01268	4.5
97.02818	4.5
99.00746	12.8
99.04404	0.7
101.02314	66.3
102.02643	1.0
109.02831	1.1
111.00749	8.0
113.02320	32.3
115.00243	0.6
115.03863	1.7
119.03383	2.5
125.02332	9.5
127.11158	1.2
129.01794	1.5
129.10318	0.7
131.03383	29.4
132.03758	0.9
133.04988	0.8
143.03381	4.9
149.04456	14.2
153.21643	0.6
159.02876	4.8
161.04459	26.3
164.07065	1.3
165.07426	1.3
167.03503	0.6
173.04468	1.4
176.16492	0.5
186.12419	0.9
187.12766	0.7
191.05507	4.0
205.03365	0.7
209.97046	0.6
215.05524	1.1
233.06598	6.4
267.07126	1.1
271.15521	0.8
289.16553	38.1
290.16980	3.1
293.08810	1.8
377.19138	4.8
385.09348	1.9
421.20758	41.6
422.21011	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	421.1654
Annotation	Lupinifolinol
Peak:m/z	Relative Intensity
55.01743	0.4
59.01237	1.0
68.62866	0.2
69.56608	2.0
80.31625	0.2
83.04886	3.2
91.01746	0.3
91.05410	0.3
93.03326	0.6
96.95860	0.5
104.41009	0.2
107.04892	0.7
109.02821	0.8
121.02824	0.4
130.04124	2.5
133.02852	0.4
134.03636	2.9
135.04404	100.0
136.04745	3.1
137.02327	0.7
145.06488	2.3
157.06482	0.8
161.02356	1.5
171.08124	0.5
173.05960	0.6
175.44527	0.3
177.01799	0.3
183.08075	0.3
185.06042	0.4
199.11269	0.3
201.05515	1.1
214.06229	0.3
215.07063	0.3
225.09128	0.6
241.12378	0.4
255.26170	0.3
259.13297	0.3
285.11285	5.9
286.11688	0.6
303.12354	27.0
304.12793	2.5
403.15698	1.4
421.16531	33.0
422.16895	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	421.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35957	4.5
57.03312	4.5
59.01248	100.0
67.16766	4.4
69.03275	6.8
69.39536	14.3
69.39963	30.4
71.01254	25.5
72.99176	6.7
73.02809	16.9
75.00734	10.0
78.94559	4.5
83.01243	6.3
85.02818	18.1
89.02312	16.5
97.02838	5.0
99.00757	33.1
101.02335	17.9
113.02316	13.7
115.77332	4.6
130.61575	4.2
135.04364	5.9
149.04417	7.2
150.03047	10.2
151.03888	13.0
153.06163	4.1
157.08586	12.1
161.04517	4.4
165.01807	5.0
165.05460	8.9
169.04987	5.3
171.10156	7.7
173.04454	7.8
173.11650	5.1
190.31731	4.8
191.05493	14.0
195.06494	6.9
197.11702	7.2
198.23650	4.9
209.04538	8.1
230.21764	4.7
239.05457	5.4
259.11865	6.1
340.82877	5.3
421.16455	86.9
422.17044	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10011	3.6
54.84903	3.4
59.01252	26.6
71.01263	10.4
73.52100	3.7
85.02824	7.8
88.39420	4.2
89.02313	7.5
113.02344	11.3
140.52748	4.1
150.03111	4.0
157.08595	28.8
160.01561	3.7
171.10146	5.4
173.04567	3.7
175.03960	12.2
209.02602	3.6
226.02913	4.2
350.81784	4.1
358.42871	4.1
421.11316	7.7
421.16452	100.0
422.17065	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	421.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.6
59.01251	6.3
60.27313	0.3
67.46565	0.2
68.99687	0.2
69.03310	0.3
69.92334	1.3
71.01255	4.6
72.99200	1.3
73.02824	0.6
75.00749	2.8
80.96429	0.4
83.01257	0.4
85.02822	4.7
87.00743	2.0
87.04420	0.3
89.02328	3.3
93.03330	0.7
95.01248	1.7
97.02824	0.3
98.02354	0.4
98.19877	0.4
99.00788	1.8
101.02331	1.0
103.00259	0.5
108.02029	0.5
109.02824	1.5
111.00822	0.3
111.08091	0.3
113.02328	3.8
113.05981	0.7
119.04922	0.3
123.00774	5.6
124.01557	100.0
125.01837	3.0
133.04964	3.3
134.05295	0.3
137.02354	1.3
141.07042	0.3
149.99510	0.5
151.00240	0.5
152.01057	0.4
153.01794	0.6
161.02385	0.3
164.07077	0.5
165.12764	1.9
166.99774	1.6
168.00526	1.0
169.01326	0.8
169.06494	0.5
173.04521	0.4
179.03261	0.3
181.01305	0.8
183.13824	3.1
184.14145	0.5
185.11743	0.2
191.05634	0.6
197.05998	1.1
199.13255	0.3
209.11688	0.5
214.06160	0.4
215.07080	13.2
216.07372	0.8
217.04974	0.5
219.53471	0.2
227.09209	0.5
227.12784	0.5
229.08727	1.7
238.09364	1.4
249.06180	1.9
258.05164	0.3
259.06131	0.9
267.07086	0.8
274.10428	0.5
296.11816	0.8
296.61874	0.3
315.06912	0.2
330.05737	0.4
363.12845	1.1
399.13550	0.6
415.19580	0.7
420.61780	0.6
421.11218	14.2
421.65317	0.8
422.11832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.8
55.70860	1.2
56.60851	1.0
56.87469	1.3
57.03322	21.7
58.22622	1.0
59.01246	15.8
67.01770	1.9
68.99671	2.4
71.01244	12.9
71.58455	1.3
72.99176	2.8
73.02811	3.4
75.00744	4.7
78.91774	1.3
80.62708	1.0
83.01256	9.2
84.02019	2.5
85.02821	100.0
87.00753	1.7
89.02308	2.7
93.03316	1.2
95.01271	1.3
96.95898	1.5
97.02886	1.1
101.02311	9.7
107.04937	1.5
107.08297	1.2
111.00760	21.7
111.99475	2.1
112.01038	1.5
113.02318	3.7
113.99161	2.3
119.03421	1.5
125.02374	1.3
129.01828	93.3
130.02214	2.1
134.03615	1.4
135.04407	41.5
136.04761	2.3
137.02353	2.1
139.03908	1.1
143.04601	1.0
149.02382	1.1
155.10684	1.2
155.98474	3.6
156.98872	1.7
157.08600	2.1
157.98195	5.8
161.04448	4.6
179.03407	15.1
187.02481	1.2
189.04019	1.2
191.05556	2.3
195.52861	1.1
203.55295	1.2
205.03456	32.6
205.05350	1.7
206.03783	1.5
223.04520	3.5
263.07562	5.6
267.08856	2.1
377.18127	3.1
385.07709	14.5
421.05890	1.2
421.16843	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	420.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35651	4.5
62.70589	4.3
67.69004	4.0
71.01244	17.2
71.08951	4.1
76.33977	4.3
87.00735	5.9
89.02310	48.0
94.04636	4.8
97.00299	21.8
98.01086	8.0
111.01880	37.8
113.02265	8.4
116.10493	4.7
126.23967	4.4
133.04951	50.8
141.01704	100.0
142.02484	6.6
161.04475	7.7
166.52293	4.6
168.59753	4.5
261.07199	16.1
277.22275	4.6
286.06671	5.1
304.07831	29.3
376.09885	54.7
420.12582	65.7
421.12961	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18597	0.4
56.14148	0.4
57.03328	1.2
59.01248	100.0
59.38895	0.4
60.01594	1.3
71.01257	1.5
71.58352	0.5
83.01245	0.5
85.02830	0.8
97.06473	0.4
99.00752	0.8
101.02286	0.5
102.37823	0.4
113.02406	0.5
127.11202	0.6
137.09663	1.3
155.10678	1.7
157.12210	0.6
161.02417	0.5
164.56303	0.5
169.12239	1.2
183.13864	1.2
201.14903	2.3
229.18071	1.2
230.15276	0.8
327.54126	0.6
359.28006	36.7
360.28305	3.3
419.26758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
60.15237	11.1
63.21311	14.1
65.14220	11.2
70.60085	35.2
98.20492	12.5
113.11222	13.7
291.19675	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69432	2.9
55.69181	2.5
59.01245	20.2
64.60307	2.2
71.58417	2.7
71.76481	2.8
87.00748	6.7
93.67390	2.4
96.08728	2.5
96.95860	4.7
121.02838	100.0
141.86525	2.4
147.02869	3.5
163.00110	2.4
168.44672	3.0
180.42490	2.4
227.68866	3.0
233.83763	2.7
241.23885	2.6
271.22650	7.5
297.05930	3.8
309.20691	3.7
388.49197	2.8
413.11584	2.8
420.27521	62.4
420.33185	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	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41553	9.9
59.01248	100.0
62.62592	9.6
71.01243	11.5
79.78301	11.9
99.30943	13.5
163.35336	14.9
216.95744	10.4
392.06699	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	419.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	92.5
61.65211	6.4
65.66374	5.9
71.58010	10.6
72.44262	6.6
74.47959	7.1
88.98679	26.0
89.02340	9.2
111.60600	7.1
127.86921	32.4
128.87711	73.4
139.68480	7.3
159.85883	41.3
192.21463	7.2
249.30530	7.7
291.19720	10.3
337.23926	6.9
419.06589	100.0
420.06821	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	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	100.0
68.24480	17.6
70.44827	29.7
70.45182	66.5
87.42358	18.4
90.28591	18.6
96.95922	23.3
101.16055	22.9
141.02620	18.8
152.82480	19.5
176.43338	21.9
210.66452	19.1
215.43994	19.7
241.02827	22.9
351.95117	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	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00206	10.9
51.85109	9.8
59.01242	100.0
66.14427	11.8
69.86554	70.1
84.17668	12.4
88.98656	45.0
152.75111	12.0
223.13568	12.8
252.39514	14.2
262.91898	12.6
292.82822	11.3
292.87134	13.6
329.16528	14.5
337.10693	16.3
359.11148	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	419.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67266	1.1
57.03310	1.4
59.01250	13.7
65.03850	1.2
69.03336	2.2
71.01257	3.9
71.57804	2.3
72.99181	1.5
73.02838	2.2
74.97128	1.2
75.00733	1.5
77.18504	1.2
79.95634	1.3
83.01260	1.5
85.02834	4.4
87.00779	1.4
89.02325	1.5
93.03333	4.0
95.01256	1.3
99.00751	2.7
101.02304	2.2
108.02065	4.3
109.02820	3.1
111.00781	2.3
111.04372	1.5
113.02316	3.0
117.03341	1.4
119.04888	5.2
121.02868	1.7
123.00746	1.5
124.01536	3.5
125.02319	6.1
135.00748	1.7
135.02869	1.5
135.04434	2.4
137.02325	12.0
141.04056	1.6
145.02879	6.7
147.04398	6.4
149.99503	3.4
151.03889	10.1
152.01031	3.9
153.01836	3.1
153.05518	1.3
155.01320	1.3
155.03403	2.6
161.02367	2.2
162.03258	1.4
162.62659	1.3
163.03897	11.9
165.01852	1.9
166.06187	1.6
167.03375	1.4
168.00516	6.0
169.01260	1.3
173.02327	2.9
173.04564	6.2
174.03157	6.2
175.03925	28.1
176.04669	9.2
177.01894	1.9
177.05507	3.6
179.03328	1.4
180.04196	13.4
181.04915	1.6
188.04723	7.6
189.05490	11.3
190.06274	31.5
191.03583	1.3
191.05507	6.9
191.07059	19.3
192.04187	1.8
193.05020	14.2
194.05779	10.9
195.06348	2.3
203.07076	3.5
205.08617	22.5
206.08904	1.6
207.06537	12.4
208.07367	10.9
215.14261	1.6
223.09749	1.4
257.08191	1.5
329.10574	2.6
370.71588	1.2
374.13669	2.8
389.16043	100.0
390.16309	8.7
393.61096	2.3
394.11148	2.3
403.62140	1.4
409.62631	1.5
410.12872	2.0
419.13901	2.4
419.61795	2.3
420.11819	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	419.1347
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01746	0.8
57.03307	1.7
59.01251	10.1
59.35431	0.5
62.48830	0.5
68.00603	0.5
69.03307	0.7
71.01251	7.0
71.58740	0.8
72.99191	1.2
73.02822	1.7
73.50061	0.5
75.00736	0.9
81.03351	0.5
83.01260	1.1
83.04913	0.5
84.84942	0.6
85.02816	4.7
87.00720	1.2
89.02321	2.9
93.03337	5.2
95.01255	0.7
96.95906	0.6
97.02838	0.8
97.56834	0.5
99.00732	1.2
101.02322	4.7
106.03407	0.5
106.04112	9.6
107.04912	24.9
108.02058	4.8
108.05230	1.2
109.02849	1.0
111.00745	0.6
113.02324	2.8
117.03352	0.5
119.03352	0.6
119.04886	3.2
121.02855	4.0
124.01532	1.2
125.02325	2.1
129.01805	1.8
132.02045	0.6
135.02928	1.2
137.02277	1.2
138.03122	1.2
145.02881	1.6
149.99449	1.6
150.47356	0.5
151.03954	0.9
152.01060	0.7
153.01836	0.8
161.04424	1.1
163.03889	1.1
168.00531	2.0
173.04485	2.5
175.02435	0.6
179.03407	0.7
182.02158	0.8
191.05521	8.0
211.07571	11.3
212.07919	0.9
213.09142	63.0
214.09480	4.5
232.46077	0.5
245.08151	0.7
257.08136	8.7
258.08237	0.7
271.19211	1.4
277.59500	0.5
280.87491	0.6
305.17487	0.7
331.06955	0.8
419.13437	100.0
420.13733	10.9
420.18979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2492
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01754	4.1
57.03322	5.1
57.49135	0.5
58.00468	3.5
59.01247	86.2
60.01583	0.9
61.95458	0.6
64.65479	0.6
69.03325	1.4
71.01248	100.0
71.58212	0.7
72.01596	2.0
72.99178	5.9
73.02814	21.2
75.00748	2.0
78.62849	0.5
81.03352	1.1
83.01251	9.1
85.02817	35.5
87.00757	6.5
87.04392	2.1
89.02311	52.6
93.03344	1.3
95.01251	7.0
96.95812	0.7
97.02835	2.2
99.00750	9.0
101.02314	61.7
102.02698	1.7
102.98515	0.6
106.63188	0.8
109.02858	2.3
111.00761	1.2
111.26292	0.6
113.02324	40.6
114.02683	0.7
119.03386	24.3
121.02830	0.8
123.32409	0.5
124.01568	0.7
125.02351	2.2
129.01846	1.8
131.03412	2.8
135.04437	1.0
137.02365	1.1
143.03380	6.2
147.02820	0.7
147.04475	1.1
149.04497	1.4
149.99516	0.8
152.01074	1.5
153.01923	0.9
159.02896	6.5
161.04454	36.8
162.04773	1.2
166.02654	0.9
168.00580	1.0
173.04565	0.7
179.03975	1.0
179.05519	7.8
191.05528	1.3
195.08119	1.9
205.03566	1.3
255.06613	1.4
255.19691	2.4
269.10483	0.8
269.17444	3.8
285.04102	1.0
417.12402	1.3
417.25134	35.6
418.25327	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	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64558	0.3
55.11474	0.3
57.03321	0.5
59.01247	100.0
60.01599	1.0
71.01241	3.1
72.99189	0.6
73.02814	0.7
75.00745	1.3
83.01263	0.4
85.02824	2.0
87.00758	0.7
89.02335	1.2
93.24647	0.3
95.01266	0.4
99.00769	0.8
101.02338	1.1
109.02852	0.5
113.02308	2.0
121.02808	0.5
125.02376	0.7
137.02359	0.9
161.04568	0.5
167.10721	0.7
174.01639	0.8
211.13335	0.6
249.06226	1.4
267.07144	2.0
298.04919	1.3
326.04404	0.9
341.06720	0.6
357.26376	3.2
358.27081	0.3
367.14120	0.6
384.08640	0.4
399.10791	0.5
417.12091	1.8
417.17709	1.3
417.28790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01584	1.1
68.71829	0.2
71.01255	0.9
75.00772	0.4
85.02810	0.4
89.02325	0.4
98.19729	0.5
101.02340	0.8
104.93192	0.2
111.08069	0.8
113.02337	0.6
121.02865	1.1
125.02305	0.4
125.09652	0.4
173.08150	0.6
181.05040	0.6
187.09660	0.4
211.16954	0.4
229.26740	0.3
255.16174	0.4
284.03049	0.3
286.79260	0.3
326.83725	0.3
417.08270	0.3
417.21268	0.3
417.28479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81065	0.3
57.03338	0.4
59.01247	100.0
59.07655	0.3
60.01600	1.4
60.55106	0.3
69.03362	0.4
70.42522	1.0
71.01252	1.9
72.99197	0.3
73.02830	0.4
75.00760	1.3
85.02818	1.6
87.00739	0.5
89.02349	0.7
95.01248	0.3
97.54105	0.3
99.00767	0.8
101.02309	0.4
103.00291	0.3
113.02299	1.8
125.02274	0.4
161.04353	0.3
167.10681	3.2
168.10951	0.3
175.02397	0.3
205.94269	0.3
249.06155	1.9
267.07220	2.3
381.13541	0.4
417.11841	0.8
417.17822	3.3
417.28473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20927	10.9
59.01244	100.0
66.01129	15.7
71.01234	13.6
71.15356	25.9
71.76972	12.7
89.67461	12.3
90.33851	12.7
101.02335	11.6
121.81710	14.8
153.75803	13.6
273.73813	12.2
377.16998	12.1
417.22260	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	417.204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	100.0
71.01242	27.8
78.95773	28.0
85.02829	13.8
85.62035	11.0
91.96277	11.1
96.60500	11.4
98.20552	27.1
98.43771	11.9
161.04372	13.0
166.81656	10.7
229.36234	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	1.0
57.03323	1.8
59.01249	100.0
61.98695	3.8
67.01753	0.9
67.19838	0.8
69.03311	2.0
71.01248	25.7
71.57403	1.1
72.66156	0.9
72.99177	2.2
73.02829	7.9
75.00747	4.7
83.01245	3.8
85.02818	13.3
87.00762	2.1
89.02318	5.7
93.03329	5.5
95.01258	2.2
97.02834	1.6
99.00731	5.8
101.02322	18.7
108.02009	0.9
109.02831	4.9
111.00750	1.4
111.04431	1.2
113.02318	13.8
119.04896	2.6
121.02850	1.3
122.03634	1.2
123.00774	3.0
123.04398	49.4
124.04751	1.6
125.02338	2.1
128.03423	1.2
129.01819	2.6
133.02898	1.4
134.03624	1.9
135.04381	3.2
137.02332	13.5
143.03380	2.5
145.02805	1.9
145.52867	1.1
149.02312	2.8
149.06010	0.9
151.00264	19.2
151.03897	1.9
152.00972	1.8
152.04680	2.7
155.03410	1.4
159.02895	3.1
159.04390	1.2
161.02316	2.5
161.04449	37.3
163.03929	4.4
164.04666	1.9
165.09113	3.9
166.02625	43.0
167.03304	3.8
173.04466	6.4
175.03827	1.2
177.01840	3.4
179.03354	2.6
181.04971	68.4
182.05247	2.1
184.96538	0.9
185.00859	1.8
191.03537	2.0
191.05510	8.3
193.04898	2.4
205.03401	1.6
207.06479	1.9
211.07541	2.2
219.06641	1.0
227.07123	1.2
233.19838	1.0
241.14421	1.1
243.12283	1.6
285.09808	4.1
331.08105	1.5
357.05939	1.1
357.15491	20.0
358.15881	1.8
359.11090	2.2
373.12668	1.3
387.10812	10.4
402.13116	8.6
417.08508	1.8
417.15005	23.1
418.15939	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	11.4
58.00473	5.4
58.21799	3.1
59.01247	100.0
60.12012	2.5
67.01766	4.9
69.03305	4.8
69.49799	16.2
69.50217	8.2
70.53282	2.6
71.01251	78.1
72.99185	9.7
73.02821	6.4
75.00739	15.6
79.37364	3.6
83.01260	7.7
83.69776	2.5
85.02815	41.3
87.00738	24.1
89.02314	57.7
93.03345	15.9
95.01276	3.9
96.95932	3.5
97.02837	3.0
99.00745	5.9
99.04395	5.2
101.02320	35.8
107.04950	4.4
109.02870	4.1
111.04392	6.9
113.02344	27.9
119.03382	23.2
121.02895	3.1
123.04412	6.3
123.08085	3.6
125.02309	3.4
125.05977	12.5
127.00319	3.7
129.01808	6.2
135.04372	4.2
136.05208	4.5
137.02357	8.5
137.05949	7.7
138.03059	3.6
139.03920	6.1
139.07524	7.9
139.92029	3.3
143.03421	5.0
149.02304	5.4
149.09659	3.0
151.00136	3.1
151.07468	6.0
153.05394	4.1
154.87718	2.9
161.02332	5.2
161.04463	12.3
163.03905	5.7
165.05492	5.6
165.09158	3.1
165.51851	2.9
166.02679	5.1
173.04453	24.3
175.07460	3.7
177.09102	11.3
179.05566	7.4
180.07851	10.8
181.04996	9.4
181.08633	41.9
191.05525	53.3
193.08627	4.5
219.10295	10.5
237.11288	13.8
255.12381	4.3
259.69235	3.4
313.13535	3.6
343.13995	10.0
361.17737	3.3
367.10275	3.6
417.17661	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	417.152
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84286	0.7
56.97898	1.8
57.97428	1.2
58.99459	1.6
59.01231	3.4
64.95116	69.0
65.95024	0.8
68.01284	4.7
69.93935	1.3
69.94332	2.4
70.02841	2.1
70.98203	1.9
71.01250	29.0
71.99001	6.1
72.99761	2.1
73.96918	3.3
74.00567	9.7
78.95762	3.2
83.99019	6.1
86.02345	12.8
87.98479	3.6
88.95120	5.4
94.02859	17.4
95.02382	13.2
96.00766	0.9
96.04438	1.4
97.09033	0.8
98.00579	1.2
98.02321	1.1
99.98499	11.8
102.00076	1.6
102.98472	12.0
105.97777	7.4
109.03959	18.0
110.02346	1.0
111.01874	1.5
111.05479	2.0
112.00280	56.5
114.00024	0.8
114.01860	9.8
116.98823	3.9
121.03961	1.2
122.02361	30.6
122.03261	1.6
123.01883	1.0
125.01644	1.0
125.02483	0.9
126.00082	5.0
126.99606	1.0
127.98000	3.9
132.81506	0.9
135.01855	1.1
137.03455	50.3
138.01852	6.4
139.01312	1.1
139.05000	1.5
141.01187	9.1
143.02757	1.7
145.99075	29.1
153.02962	1.4
155.04541	2.0
165.02957	7.5
169.00626	4.8
173.79446	0.8
185.15324	1.0
202.99483	5.1
212.16539	0.9
220.16924	0.8
228.15916	2.8
245.12077	2.3
247.13577	2.7
254.17470	1.6
264.15985	1.9
270.15240	3.1
279.10892	14.1
280.11206	1.1
282.17108	1.2
284.18549	1.1
288.16248	3.1
301.14886	1.8
307.20221	2.9
308.18353	1.7
310.20212	2.3
321.18292	1.2
323.19788	2.3
340.15793	10.0
349.18164	1.2
351.19235	100.0
352.19553	11.0
355.16971	16.0
356.17014	1.3
357.18649	7.2
365.14883	1.2
374.14636	7.3
375.14941	1.1
383.16425	19.0
384.16879	2.0
417.15259	15.7
418.15524	1.8
422.80121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00215	0.7
56.97872	2.4
57.97396	1.8
58.99438	1.8
59.01258	3.0
59.01478	0.6
61.12135	0.5
63.94323	0.8
64.95118	65.1
65.95056	0.6
65.99702	1.2
66.03327	1.0
68.01289	4.4
70.02827	1.3
70.34392	0.5
70.98201	1.0
71.01254	28.7
71.99004	6.3
72.99787	2.7
73.02807	1.0
73.96934	4.0
74.00569	8.2
75.00717	0.5
77.10740	0.7
79.36113	0.5
79.93858	0.5
81.04406	0.8
81.97427	0.5
82.02817	0.7
83.99007	7.0
84.97413	0.7
86.02353	13.4
87.98508	3.6
88.94677	0.4
88.95137	7.1
90.96647	1.5
91.41653	0.5
94.02866	19.0
95.02387	14.8
96.00745	2.0
96.04404	0.8
98.00541	1.1
98.02332	1.3
99.00740	1.4
99.98510	13.6
102.00034	1.7
102.97832	0.8
102.98473	11.9
102.99152	0.8
105.97781	8.8
109.03963	20.1
110.02300	0.7
111.01831	1.8
111.05482	1.9
112.00288	55.8
113.00553	1.4
114.00038	0.6
114.01851	9.4
116.94623	0.5
116.98795	4.2
117.99597	1.1
121.02866	0.6
121.03914	1.9
122.02370	31.6
123.01871	1.1
124.03915	0.6
125.01686	0.7
126.00065	4.5
126.98431	1.1
127.98012	3.2
135.01866	1.4
137.03467	56.1
138.01886	7.8
138.03758	1.6
139.05029	2.5
141.01178	9.0
141.99541	0.7
143.02708	2.1
144.03038	0.6
145.99081	29.9
146.99167	0.6
153.02898	1.5
153.99617	0.5
155.04582	2.7
165.02971	6.7
169.00696	5.8
178.99094	0.9
185.15364	1.9
202.99539	3.0
212.16496	1.0
228.15993	2.4
228.18059	0.6
236.16391	1.0
238.18031	0.7
245.12105	3.2
247.13708	2.2
248.60146	0.5
254.17590	0.9
255.15993	0.5
256.15454	1.1
264.15930	1.7
268.13727	0.7
270.15149	2.8
279.10922	15.5
280.11273	0.9
282.17023	1.2
284.18671	2.1
288.16397	3.5
301.14761	2.9
306.17154	0.7
307.20346	2.5
308.18640	2.4
309.18103	0.5
310.20236	1.7
312.16412	0.8
321.18002	1.1
323.19736	1.9
331.17065	1.3
333.17920	0.7
339.17389	1.0
340.15775	11.3
340.19516	0.9
341.16272	1.7
349.17752	0.9
351.19238	100.0
352.19586	10.0
355.16959	14.5
355.20285	0.4
356.17355	1.8
357.18524	7.0
358.18753	1.3
365.15469	1.7
374.14673	7.5
383.16473	20.6
384.16776	2.3
417.15280	19.2
418.15244	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3216
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
54.88496	0.2
59.01254	1.5
70.06630	0.7
70.07034	0.6
70.66434	0.2
71.01263	0.4
79.61698	0.2
120.76474	0.3
146.63074	0.2
149.72011	0.3
154.11438	0.2
185.43903	0.3
200.05199	0.3
263.08917	0.3
279.23300	1.1
282.64450	0.3
309.16724	0.3
415.32144	100.0
416.32471	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	417.0827
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01250	1.4
62.04332	0.2
63.02254	1.2
65.00206	0.7
72.99152	0.3
78.95821	0.2
83.01243	1.1
85.02803	0.7
93.03326	0.5
95.34844	0.2
98.19745	0.5
101.02262	0.3
107.01247	2.2
109.02805	1.2
121.02842	0.8
123.00766	1.2
123.04417	0.3
124.01518	0.3
125.02321	0.9
132.02089	0.4
133.02834	3.2
134.03656	1.3
135.00685	0.3
137.02327	4.3
137.53177	0.3
145.02794	0.5
148.01521	0.6
149.02336	1.4
149.99519	0.3
151.00261	10.8
151.03880	0.7
152.01027	0.9
152.04657	0.6
153.01869	0.4
159.04398	0.3
165.01834	0.3
166.02618	15.7
167.03270	1.5
169.01334	0.4
171.04396	0.3
173.04466	0.5
175.03893	1.3
177.01872	1.2
179.03429	0.4
181.04977	26.0
182.05341	0.8
183.04485	0.4
187.03923	0.4
188.04776	0.5
191.03343	0.4
191.05498	0.8
195.02911	0.3
195.04453	0.3
199.03885	1.5
200.04672	0.7
201.01871	0.5
203.59787	0.3
205.04892	0.3
207.06673	0.3
211.03954	1.4
212.04483	0.3
217.05029	0.6
219.06601	0.3
227.03432	3.7
228.04128	0.4
239.03423	0.6
241.05103	0.4
243.03070	0.5
247.16295	0.3
255.02974	4.1
256.03711	6.2
257.04282	0.3
269.04568	0.4
283.02429	1.0
284.03235	91.8
285.03973	54.5
286.04370	3.5
297.04172	0.3
299.05566	0.3
327.05063	0.8
359.11319	0.6
387.10791	4.1
388.11023	0.4
402.13211	4.2
417.08234	100.0
417.15198	7.7
418.08594	10.7
418.15634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1972
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01751	1.6
55.47973	0.4
57.03315	0.7
58.00469	2.6
59.01247	100.0
60.01583	0.8
65.03869	0.4
69.03329	1.5
69.52339	2.8
70.98946	0.3
71.01249	58.6
72.01594	0.7
72.99168	2.3
73.02814	76.7
74.03166	1.2
75.00729	0.8
81.03336	1.0
83.01250	24.1
84.01627	0.6
85.02821	8.3
85.03281	0.7
87.00755	1.7
89.02312	16.9
91.01763	0.4
95.01241	2.1
97.02830	1.5
99.00784	2.0
101.02316	68.4
102.02650	1.4
109.02832	2.7
111.04394	0.4
113.02325	17.2
119.03384	6.9
121.02791	0.4
124.01521	0.5
125.02341	4.4
131.03394	4.5
135.00777	1.0
135.04303	0.4
143.03391	4.3
147.03004	0.4
149.04440	3.5
152.01123	0.4
153.01839	0.9
155.03444	2.4
156.43503	0.3
161.04460	12.3
168.00604	1.8
169.01054	0.6
175.11067	0.5
179.05588	0.6
181.04955	0.8
193.12263	10.1
193.13911	0.7
194.12529	0.6
196.07332	0.6
203.05568	0.6
204.60437	0.4
207.91093	0.4
211.09688	0.7
211.13342	1.7
221.06593	0.5
244.91187	0.3
267.06705	0.6
287.49268	0.4
295.06100	2.0
307.06332	0.5
325.07217	0.5
331.06607	1.6
332.06931	0.8
355.17551	2.7
356.12680	0.4
373.18668	9.5
374.18884	0.9
399.05826	0.8
400.05988	0.8
414.58240	1.1
415.10507	1.1
415.19644	23.9
416.20062	2.6
429.09995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97331	0.5
55.01752	7.2
57.03327	5.8
58.00461	2.5
59.01248	51.6
60.01589	0.5
61.98707	1.9
68.99704	0.7
69.03333	2.5
71.01251	91.3
71.58514	1.0
72.01597	1.1
72.99178	4.5
73.02818	34.1
74.03126	0.7
75.00745	2.3
81.03342	1.6
83.01254	25.9
84.01614	0.6
85.02819	47.9
86.00000	1.0
86.03150	1.1
87.00745	4.6
89.02308	10.0
95.01269	6.2
97.02824	4.9
99.00751	13.7
99.04361	1.1
101.02319	80.9
102.02667	1.3
103.03891	5.9
107.04891	0.6
108.02058	1.7
109.02830	1.6
111.00764	1.6
111.04345	0.5
113.02330	33.9
114.02654	1.1
114.77007	0.5
115.03844	0.9
119.03393	2.5
125.02345	7.8
127.03949	0.8
129.01849	2.2
135.45470	0.5
137.02356	0.7
139.73657	0.6
141.01842	0.6
143.03404	6.6
145.04947	1.5
150.06763	2.5
152.01062	1.8
153.01796	0.9
156.47781	0.6
159.02890	9.1
161.04460	57.0
162.04829	1.9
163.06036	2.7
167.03448	1.0
173.04578	0.6
191.05568	0.9
197.11754	1.3
205.03545	2.6
229.07225	1.7
241.10811	1.9
247.08282	4.5
269.10287	100.0
270.10641	7.7
307.10352	0.9
415.16205	29.4
416.16595	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.2
57.03318	4.8
58.00464	2.6
59.01247	66.1
60.01573	1.2
67.01750	1.7
68.99677	4.1
69.03317	3.8
69.33394	8.1
71.01251	46.2
72.99182	10.0
73.02815	6.5
75.00742	40.8
75.93420	0.9
81.03340	1.7
83.01251	2.8
83.04897	1.3
85.02820	46.9
85.03345	2.2
87.00222	1.1
87.00743	16.4
89.02306	18.2
91.01727	1.4
91.03844	1.3
93.03327	2.0
95.01257	10.2
97.02838	0.9
99.00747	22.5
101.02318	7.6
103.00219	5.5
109.02819	2.4
110.27009	0.9
111.00759	1.6
111.04357	0.8
113.02323	62.0
115.00244	4.4
117.01824	5.8
119.03349	1.8
119.04906	0.9
121.10110	44.0
122.10489	1.7
127.30981	1.0
128.76389	0.9
129.01848	3.3
131.03366	1.2
135.00758	2.6
139.00262	1.0
145.02852	1.6
149.04430	1.5
157.01311	1.7
161.04335	0.9
165.09116	54.4
166.09431	1.8
175.02458	4.9
189.03993	1.8
205.07013	1.5
207.05031	1.4
223.08005	1.2
231.04982	7.1
249.06117	100.0
250.06409	3.2
267.07187	80.6
268.07486	4.0
271.93295	1.0
302.96912	1.0
355.14096	1.3
373.22174	1.0
397.15048	2.4
415.16058	85.3
416.16388	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	415.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08926	0.8
55.01748	2.9
57.03318	2.5
58.00470	5.7
59.01252	100.0
69.03320	3.7
71.01257	78.1
72.01598	1.3
72.99190	6.0
73.02819	9.0
75.00754	2.1
75.68850	0.8
81.03317	3.0
83.01254	8.0
85.02829	16.9
87.00757	14.8
89.02319	79.9
90.02649	0.9
91.03872	1.7
93.03341	0.8
95.01261	5.4
97.02831	6.9
99.00749	3.4
101.02325	62.4
109.02851	1.0
113.02335	26.1
119.03393	27.6
121.02791	1.0
125.02337	13.6
131.03391	4.1
143.03400	11.7
149.04449	3.5
161.04480	12.7
179.05540	27.9
180.05956	1.0
185.04449	1.3
221.06624	6.4
230.11467	1.4
235.08188	15.0
236.08592	0.8
253.09274	7.2
263.07739	4.8
287.07785	2.7
305.08820	1.9
323.09613	1.8
415.14581	97.1
416.14899	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	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39927	0.4
52.69060	0.5
52.87067	0.4
59.01248	100.0
60.01575	0.9
69.03313	2.3
69.50667	1.2
69.51078	2.4
71.01252	3.9
72.99154	0.6
73.02831	1.0
75.00766	0.9
76.76479	0.5
78.95782	0.8
85.02834	2.1
87.00759	0.6
89.02314	1.6
91.01798	1.3
91.19085	0.5
91.93327	0.5
93.03303	2.6
95.01258	0.5
96.95914	0.5
97.02853	1.1
99.00762	1.3
101.02337	1.8
106.45202	0.5
109.02857	0.6
113.02342	1.9
119.01257	0.8
119.03407	0.6
121.02850	1.2
123.04420	0.7
135.04443	0.6
137.02354	2.5
141.01826	0.5
145.02878	1.8
151.03900	16.0
152.04219	0.5
159.02751	0.5
161.04524	0.7
165.03917	0.7
167.03464	0.9
173.04538	1.9
175.04025	0.7
185.00882	1.7
191.05573	1.3
223.13322	0.7
238.90408	0.5
241.10736	0.8
250.77509	0.5
267.06708	1.3
267.12332	0.6
295.06097	0.9
331.65952	0.5
347.10214	0.5
415.10092	1.2
415.15558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85363	0.5
57.03335	0.6
59.01250	13.1
68.63725	0.5
69.03326	1.9
69.58348	3.2
71.01260	4.9
72.99198	1.1
73.02825	1.9
78.95788	0.7
83.01244	0.7
85.02808	4.6
87.00749	0.9
88.35611	0.5
89.02306	2.7
93.03336	15.7
94.03680	0.6
95.01271	1.3
97.02840	1.1
99.00720	0.7
99.04395	1.8
101.02325	1.6
107.01289	0.6
107.04902	0.5
108.02048	54.3
109.02866	13.5
113.02332	1.3
117.05467	5.0
119.04945	0.7
121.02851	1.3
123.00768	1.7
123.04387	0.9
124.01595	0.6
125.02305	2.8
131.17363	0.4
133.02855	1.2
133.04955	0.7
135.04407	1.9
137.02338	27.0
138.02689	0.8
149.02354	0.8
149.05995	0.6
151.00255	1.4
151.03897	0.7
152.01053	100.0
153.01826	7.4
161.04449	0.9
163.03883	2.4
165.01819	0.9
165.05524	0.9
173.04495	0.7
176.01047	0.6
177.01823	2.0
177.05496	0.6
183.57242	0.6
191.05550	1.4
253.07033	0.5
297.06180	3.3
298.06433	0.6
315.07202	5.9
357.08252	31.2
358.08600	2.1
397.11359	16.0
398.11627	1.3
406.64658	0.5
415.12411	31.6
416.12537	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50856	1.9
59.01246	100.0
60.91386	1.7
65.02462	1.6
65.03008	1.7
67.99402	2.0
69.87856	1.8
69.88214	11.0
70.40281	1.8
76.26967	1.6
82.37814	2.0
90.16569	1.6
140.44911	1.8
319.81174	2.0
345.05167	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
65.72287	1.1
69.07770	1.3
77.56898	1.3
93.17144	1.2
98.20557	2.8
100.33746	1.0
116.55257	1.5
124.24097	1.2
128.85585	1.1
188.08423	1.2
229.85480	1.1
322.14722	1.4
413.30984	2.1
413.36703	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	414.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09941	0.7
51.37075	0.8
59.01252	100.0
60.01590	0.8
61.80954	0.6
65.71327	0.7
69.03391	0.9
71.15063	1.4
86.02367	1.9
96.95872	1.2
147.20004	0.8
148.89189	1.0
224.16518	1.6
226.18187	1.1
227.84914	0.9
236.16449	0.8
254.17607	6.5
336.25467	3.6
414.25867	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.7
56.25627	0.1
57.03325	0.9
57.84730	0.1
58.00455	0.1
59.01249	100.0
60.01582	0.8
61.43187	0.1
69.03318	0.2
69.43342	0.7
69.43743	0.2
71.01251	8.1
72.01586	0.2
72.99190	0.3
73.02816	2.4
75.00753	0.1
79.95599	0.2
81.03293	0.1
83.01262	1.4
84.02050	0.2
85.02821	4.3
85.99965	0.1
87.00736	0.5
89.02316	1.6
89.02829	0.1
93.03343	0.1
95.01263	0.8
97.02854	0.3
99.00756	1.1
101.02319	5.7
108.02080	0.2
109.02831	0.2
111.00758	0.2
113.02320	3.3
114.02625	0.1
119.03402	0.5
125.02374	0.3
129.01854	0.2
137.09619	0.3
143.03442	0.4
149.09618	0.1
152.01089	0.3
159.01820	0.1
159.02853	0.5
161.04460	3.1
209.15413	1.6
230.88521	0.1
279.16016	0.1
285.04126	0.1
293.04730	0.2
353.19708	2.0
353.23828	0.1
354.20343	0.2
371.20709	8.8
372.21063	0.9
413.08511	0.1
413.21994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.3
55.48814	0.2
57.03317	0.3
59.01250	100.0
60.01599	0.9
63.34779	0.2
69.03324	0.9
69.08336	0.2
69.91308	0.3
69.91727	0.7
71.01248	3.9
72.99168	0.3
73.02836	1.3
75.00762	0.2
76.85904	0.2
83.01263	0.6
84.88510	0.2
85.02822	2.3
89.02329	1.1
95.01260	0.2
96.95965	0.2
97.02824	0.5
99.00772	0.6
101.02316	2.1
103.90723	0.2
113.02347	1.6
117.96980	0.2
119.03396	0.4
125.02332	0.3
141.04149	0.4
149.99472	0.3
152.01064	0.3
159.02856	0.2
161.04419	1.2
168.00610	0.2
185.00865	0.5
203.01962	0.5
208.00226	0.3
209.15492	1.0
267.68369	0.2
293.04608	0.8
309.20923	0.2
353.19638	1.5
371.20737	3.2
372.21240	0.4
386.58765	0.2
413.08667	0.6
413.13858	0.3
413.21802	0.3
434.28745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.1
59.01248	14.4
63.32593	0.4
65.07401	0.3
67.01766	0.7
69.03323	100.0
70.03661	1.4
70.07339	1.5
70.24222	0.4
71.01246	3.6
72.99168	2.9
73.02817	0.7
76.65532	0.4
79.01775	1.1
81.04620	0.4
83.01245	0.6
83.04897	0.5
85.02834	2.1
87.00759	0.5
89.02335	1.0
94.68958	0.4
95.01266	2.0
97.02821	19.9
98.03159	0.7
98.20448	0.6
99.00751	23.6
100.01096	0.6
101.02309	1.1
106.45798	0.3
108.02030	0.5
109.02834	0.7
111.00684	0.5
113.02335	1.5
123.00734	1.1
141.01825	5.6
152.01067	1.0
153.01735	0.5
165.12714	1.0
183.13837	3.3
185.00841	65.2
186.01215	1.9
203.01913	4.5
205.05087	0.4
216.29845	0.4
227.12814	3.2
251.16406	0.5
284.03598	0.4
285.04092	0.9
293.04550	1.6
378.13599	0.4
384.34036	0.4
395.11380	0.5
412.62939	0.4
413.08942	0.8
413.14389	4.0
413.19684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1604
Annotation	Bannaxanthone A
Peak:m/z	Relative Intensity
57.03311	4.8
59.01245	18.8
60.79675	1.0
71.01255	1.1
71.35233	2.6
72.59461	1.1
83.01269	1.2
92.22282	1.1
96.95865	2.2
99.00756	2.8
108.02053	5.3
109.02866	2.4
109.99912	1.4
111.00765	1.7
121.02846	1.1
123.00777	4.1
124.01540	5.4
125.02332	44.6
132.85379	1.2
136.01550	14.5
137.02336	46.3
138.03113	2.1
139.03905	2.1
145.94319	1.0
149.02361	10.0
150.03125	13.9
151.03908	40.8
154.01579	1.2
161.02313	3.7
163.03900	3.1
164.04669	1.7
165.05452	4.2
171.94714	1.2
175.00374	1.2
175.03970	1.6
177.05370	1.3
187.04152	1.1
188.04781	2.2
189.05472	3.3
194.37027	1.1
199.07591	2.1
201.05547	2.4
202.06190	1.6
203.03418	1.2
203.07040	15.1
215.07098	1.7
216.04190	2.7
217.05005	5.0
217.08607	3.6
218.09409	1.4
229.05013	1.7
231.06516	2.3
232.07379	1.6
233.08058	1.8
244.07404	1.4
245.08119	5.6
246.09010	6.3
247.09708	2.1
252.11156	1.3
261.11389	5.5
286.04785	1.8
287.09097	1.3
287.75827	1.2
293.04495	1.1
301.07315	3.1
308.03366	2.0
311.05573	2.3
315.08777	1.4
323.05621	1.3
325.07184	2.3
336.06387	3.7
340.09503	4.8
354.07349	2.8
354.11298	1.9
355.11835	15.3
356.12265	1.8
365.10437	2.3
369.09662	4.9
369.13654	3.1
383.11380	3.2
384.12173	6.3
398.13696	19.6
413.16080	100.0
414.16391	8.9
423.01025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75204	1.1
59.01245	100.0
61.98710	1.3
66.79686	1.0
71.01252	1.5
71.58181	1.4
75.49621	1.2
86.02347	2.6
90.21093	1.3
94.00253	1.2
95.00424	1.1
97.92712	1.7
109.06455	3.3
116.79530	1.3
125.09670	1.3
154.01364	9.0
156.05336	1.2
238.18111	2.4
266.17676	4.3
334.23831	12.9
352.25070	1.6
372.76193	1.2
413.16333	2.0
417.44116	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	412.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18612	1.1
52.15296	0.7
55.88699	0.9
56.60302	0.8
57.03314	2.8
59.01247	100.0
60.01569	1.0
61.98660	1.0
64.62918	0.7
69.28896	1.2
69.29298	7.9
73.59251	0.8
78.84405	0.9
86.02352	1.2
98.20587	1.9
109.02840	2.1
111.08021	1.1
123.00799	1.1
124.01558	2.9
125.02327	23.8
136.01563	1.5
137.02339	29.0
149.02353	2.2
150.03116	7.2
151.03906	4.5
161.02357	1.1
163.03940	1.6
189.98180	0.8
203.07077	3.5
215.54002	0.8
217.04909	1.2
217.08713	0.9
223.76003	0.8
240.15994	5.4
243.06538	1.0
245.08076	1.8
246.09007	2.0
259.09772	1.5
301.07169	1.1
307.76718	0.9
311.05460	0.9
334.23889	3.4
336.06180	1.7
340.09540	3.6
355.11832	3.8
357.20721	0.9
369.09564	1.6
369.13577	1.3
380.12646	1.2
384.12317	1.5
395.84882	1.1
397.62296	0.8
398.13632	9.6
412.14771	4.2
413.16071	34.9
414.59760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01578	1.6
74.12497	1.1
78.95747	0.9
95.57411	0.9
98.96620	1.0
107.29074	1.1
149.40866	1.1
203.46291	0.9
229.06146	1.1
229.19322	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81623	2.7
59.01249	100.0
79.23241	2.1
98.19785	7.4
110.01154	2.4
188.98097	2.3
199.64236	2.4
218.23228	2.3
404.35110	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	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.1
57.03327	1.1
58.00471	1.3
59.01249	100.0
69.03321	7.0
69.57621	7.5
71.01250	23.1
72.99185	1.8
73.02814	20.9
73.03187	0.7
75.45172	1.0
83.01244	7.4
83.04925	1.0
85.02825	5.2
87.00743	2.1
89.02326	8.1
93.03349	1.5
95.01270	2.0
97.02821	2.3
99.00734	1.7
101.02312	20.7
103.31908	0.9
108.02050	1.8
109.02833	2.8
113.02322	10.1
119.03387	3.4
119.04943	1.1
125.02367	1.3
131.03366	2.1
134.03593	1.1
137.09641	7.5
141.01843	1.1
143.03429	1.6
145.02785	1.0
152.01059	3.5
153.01915	1.2
161.04445	3.1
161.05656	1.0
161.77625	1.0
173.04445	2.1
175.03923	1.3
185.00851	4.3
189.12817	1.4
191.05460	1.6
316.05771	2.1
331.08167	3.4
412.11954	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
58.12655	0.7
59.01250	100.0
59.84506	0.6
59.93358	0.5
60.01597	0.6
63.05751	0.6
67.01774	0.8
69.03332	2.1
71.01249	23.6
71.58671	0.7
72.99193	1.6
73.02815	19.3
75.00733	0.6
79.80721	0.6
83.01249	5.2
85.02825	4.7
87.00764	0.6
89.02309	6.1
93.03358	1.1
95.01263	1.4
97.02818	1.0
99.00761	1.0
99.04401	1.1
99.96002	0.6
101.02316	16.9
102.02647	0.6
108.02041	0.7
109.02836	0.7
111.00761	2.9
113.02327	8.2
119.03384	1.9
125.02346	0.7
131.03404	1.8
134.50540	0.6
137.09607	4.8
143.03384	3.9
147.04489	1.0
149.04514	0.9
150.35423	0.6
155.03462	0.6
161.04410	3.2
173.04457	1.3
189.12766	1.3
191.05536	1.2
315.07077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94885	0.3
57.03313	0.6
59.01245	4.3
61.63847	0.3
69.03337	1.8
69.31687	2.7
69.68718	0.2
70.80779	0.2
71.01254	3.3
72.99175	0.3
73.02807	1.6
76.41145	0.2
81.03336	0.4
82.43835	0.3
83.01266	0.7
85.02814	3.2
87.00760	0.4
89.02348	0.3
93.03326	0.6
95.01254	2.0
95.04880	0.6
97.02811	0.7
99.00757	0.5
101.02325	1.9
107.04896	0.5
108.02050	63.0
109.02859	14.5
110.03178	0.5
111.00733	0.3
113.02324	1.5
113.05967	7.8
121.02821	0.8
123.00762	0.9
123.04430	0.5
125.02326	1.7
132.02107	0.3
133.02824	0.7
134.03630	0.9
135.04396	1.0
151.00284	1.3
151.03952	0.9
152.01053	100.0
153.01846	10.1
161.04469	0.7
163.03879	1.8
165.01894	0.6
165.98979	0.4
166.99870	0.3
173.06041	1.3
175.03931	0.3
177.01852	1.0
179.03424	0.6
193.05035	0.3
205.04921	0.3
207.02953	0.3
207.13953	0.3
297.06168	4.2
298.06287	0.3
315.07227	6.9
320.98322	0.3
331.08231	0.9
411.12927	67.2
412.13287	6.3
420.22726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-Palmitoylglycerol 3-phosphate
Peak:m/z	Relative Intensity
59.01235	1.5
59.90503	0.5
71.57927	0.7
78.95773	70.4
96.96844	6.3
112.52515	0.5
118.04768	0.5
133.58963	0.5
150.97879	1.5
152.99484	100.0
153.99854	1.9
171.00554	2.9
187.27380	0.5
203.21823	0.5
255.23227	1.9
257.18546	0.5
409.23572	14.6
410.24002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99733	2.4
67.01765	2.4
69.03308	1.9
71.01252	3.4
71.57162	1.1
71.57642	2.1
72.75766	1.3
72.99178	40.7
78.19987	1.2
78.68586	1.7
80.66062	1.4
85.02819	12.1
87.00735	7.3
93.03338	23.1
101.02327	1.7
105.37577	1.3
109.02827	5.0
111.04417	5.0
118.02897	1.6
118.04968	1.8
121.02856	4.6
123.04442	2.6
127.03950	2.9
133.02864	3.4
134.03633	1.9
135.04424	19.3
137.02316	3.7
146.02318	1.5
147.00851	1.7
147.03145	4.0
147.04417	5.9
149.02361	2.1
162.05502	8.6
162.91437	1.5
165.05536	2.5
173.02266	1.8
173.04469	15.1
174.01921	3.4
174.05492	5.9
176.03470	3.5
179.03593	1.5
191.05540	100.0
192.02884	2.2
192.06061	2.7
200.03470	4.4
213.36218	1.6
218.00914	4.8
218.04530	11.5
219.03026	4.1
236.01901	2.4
236.05595	30.1
247.04483	1.8
258.31573	1.6
272.07834	2.9
392.09921	3.9
410.10919	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26268	0.3
54.69678	0.3
59.01248	100.0
60.01590	1.2
62.15798	0.3
67.01759	0.3
69.03323	10.0
69.24826	0.8
69.25248	2.5
71.01248	3.0
72.99198	0.6
73.02822	0.6
79.41739	0.5
85.02824	1.1
85.92628	0.3
87.00792	0.3
89.02296	0.4
89.48438	0.3
93.03358	1.3
97.02840	2.2
97.06445	0.4
97.34202	0.3
98.20640	0.5
99.00758	3.1
101.02305	0.5
108.02026	0.3
109.02877	0.5
111.04417	0.5
113.02326	0.6
115.00237	0.4
116.03730	0.3
117.03412	0.6
119.04929	1.2
121.02876	0.4
131.07001	0.7
134.46112	0.3
135.04451	0.4
137.02388	0.5
141.01799	0.5
145.02858	0.9
152.01083	0.5
163.03970	1.3
164.04686	0.4
173.04434	1.9
181.40599	0.3
185.00827	3.8
185.08221	0.4
190.02577	0.3
191.05519	2.8
211.07693	0.5
223.06065	0.4
225.77832	0.3
275.11511	0.6
314.04434	1.1
327.08795	0.4
329.06796	1.2
401.11758	0.4
409.08014	0.4
409.13834	0.3
410.11548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	2.1
57.03332	11.8
57.95932	1.6
58.00448	2.0
59.01250	100.0
69.03328	47.0
70.03674	2.0
71.00854	1.3
71.01253	36.5
71.48990	3.3
72.99187	4.9
73.02824	5.6
75.00734	3.3
79.94341	1.7
82.47417	2.1
83.01260	2.5
85.02824	16.1
87.00758	3.9
89.02314	35.6
93.03304	2.7
95.01250	3.9
97.02822	12.8
99.00752	12.6
99.04385	7.5
101.02329	27.1
111.00729	2.1
113.02325	18.6
119.03376	14.5
125.02312	5.1
128.90826	2.0
131.03461	1.8
134.25212	2.0
137.02361	3.0
141.01797	2.2
143.03352	5.3
149.04436	2.9
159.02922	2.3
159.10139	1.8
161.04451	13.4
162.03149	3.0
164.04561	1.9
173.04451	4.4
179.05521	9.6
181.96802	1.7
185.00853	20.1
187.13301	5.4
191.05501	12.0
191.07037	2.5
223.06149	2.5
249.05862	2.3
271.45865	1.8
349.18677	41.9
350.18997	4.0
409.17050	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	409.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	2.2
57.03323	100.0
58.03660	1.7
59.01247	96.5
60.01578	1.7
69.03320	17.1
69.57939	4.3
69.58369	5.4
71.01250	32.4
72.99171	1.6
73.02819	10.7
75.00759	1.3
81.03304	1.3
83.01259	4.4
85.02809	14.7
87.00720	2.0
89.02310	5.6
95.01272	3.3
97.02823	3.8
99.00739	11.6
99.04389	76.3
101.02318	48.1
113.02325	13.3
119.03365	1.6
125.02328	37.6
126.02628	1.2
130.08615	1.2
141.01833	2.1
143.03386	4.1
159.02904	2.4
161.04482	15.6
167.15382	1.1
173.04500	2.1
185.00815	7.5
191.05537	3.6
247.11795	3.9
265.12903	59.8
266.13229	3.3
307.13895	9.8
342.14270	1.3
347.17093	1.9
409.11801	2.0
409.17358	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	409.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60770	0.5
57.03305	0.8
59.01248	17.3
69.03316	2.2
71.01248	2.5
71.38043	0.9
73.02825	0.6
85.02808	1.7
90.61283	0.5
91.01762	1.9
93.03338	1.5
96.95905	1.4
97.02835	1.6
99.00768	1.0
101.02317	1.0
113.02372	0.6
118.46716	0.5
119.01263	6.8
121.02837	3.3
125.02325	0.6
133.02884	0.6
134.03609	0.8
135.04407	2.5
141.01826	0.5
147.00781	5.8
147.04369	0.7
149.02338	11.7
152.01070	0.8
159.06776	0.6
161.02420	1.0
162.03052	1.2
163.03889	2.7
164.04691	12.6
165.01842	3.2
165.05098	0.6
171.10201	0.7
173.14519	0.5
175.00284	40.0
176.00613	1.4
177.01846	0.7
179.07047	4.3
181.04903	1.1
187.03841	0.6
189.01823	2.0
190.02640	100.0
191.03107	4.8
193.01317	1.7
193.08330	0.6
203.03491	1.0
205.04994	93.6
206.05338	5.4
207.02907	0.9
208.03668	1.5
215.03426	0.8
217.01306	1.2
219.06627	0.6
223.06062	26.7
224.06416	1.2
232.03764	1.0
233.04459	0.7
233.11591	1.2
247.06076	2.6
247.90144	0.6
258.12759	0.5
263.09235	0.7
277.07159	1.2
327.21786	0.7
349.09225	1.2
349.19568	0.9
357.16254	0.6
379.06842	1.1
394.09131	4.1
409.11377	34.5
410.11633	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.22
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
59.01247	3.5
68.55386	0.4
71.01247	0.6
71.57731	0.4
78.95774	100.0
91.38475	0.5
92.87791	0.4
96.96841	9.6
131.69113	0.5
144.50735	0.5
150.97925	2.0
152.99486	91.4
153.99832	0.9
161.31836	0.5
171.00554	71.1
172.00960	1.2
179.43164	0.5
185.02101	0.5
185.11803	0.5
193.06731	0.5
203.35115	0.5
240.97871	0.6
325.18484	1.3
342.28336	0.5
344.31357	0.5
354.05862	0.5
356.37689	0.4
407.22031	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	409.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02265	0.3
51.42800	0.3
53.06073	0.3
54.01318	0.3
55.01759	4.1
56.61219	0.3
59.01249	3.2
62.07813	0.3
66.76424	0.3
67.01769	0.4
68.97215	0.3
69.03326	100.0
69.30056	3.1
70.03672	2.2
71.01246	1.3
72.99189	1.7
79.01752	1.7
85.02828	1.2
85.95720	0.3
87.90952	0.3
91.39503	0.3
93.03333	0.4
93.53892	0.3
95.01276	1.8
97.02831	19.2
98.03208	0.3
99.00755	25.2
100.01131	0.6
108.51241	0.3
121.02798	0.4
123.00765	1.2
141.01836	9.6
149.02315	4.1
163.03867	0.4
164.04732	2.1
185.00839	42.3
186.01234	1.8
191.05585	0.5
193.01324	0.5
203.01881	1.2
208.03738	0.8
223.06047	3.6
247.06155	0.3
258.49725	0.4
294.31955	0.3
409.07703	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	71.4
59.01250	100.0
60.01574	1.1
69.03322	3.2
71.01250	19.7
72.99169	1.1
73.02811	6.1
75.00745	3.0
81.03326	1.7
83.01252	5.1
85.02824	12.5
87.00748	2.2
89.02341	4.6
93.03355	1.2
95.01271	1.8
97.02871	1.3
99.00771	3.9
99.04391	56.7
101.02314	27.0
107.04911	0.9
108.02061	9.0
109.02847	2.8
113.02325	13.7
119.03352	1.4
125.02339	15.7
126.10792	1.0
129.01778	1.7
131.03458	1.1
135.04382	1.2
137.02327	2.3
143.03323	1.2
145.07597	2.0
151.03719	1.1
152.01057	9.7
153.01820	3.6
159.02866	1.6
159.27426	1.0
161.02391	1.3
161.04466	6.7
162.06366	0.9
164.60539	0.9
173.04578	1.3
185.11758	36.5
186.12050	1.0
191.05502	2.2
199.07602	1.8
200.07977	1.4
214.09834	2.0
243.06377	1.3
256.10837	1.2
263.14978	22.0
264.15402	1.3
293.51648	1.0
304.13000	2.4
305.16058	1.7
315.07150	1.9
407.07727	2.5
407.12796	3.3
407.18933	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	407.1857
Annotation	3'-Geranyl-3,4,2',4'-tetrahydroxychalcone
Peak:m/z	Relative Intensity
56.43636	0.5
59.01253	4.2
69.43094	4.4
71.01264	0.7
78.95772	20.0
80.84904	0.5
89.02364	0.5
96.96843	1.4
101.02356	0.9
102.65426	0.5
105.48764	0.5
107.04885	1.2
110.98412	0.6
113.62484	0.5
130.04124	1.5
134.03650	2.5
135.04410	100.0
135.71828	0.5
136.04733	4.0
143.04979	0.7
144.05751	0.5
145.06506	2.0
152.99480	15.6
157.06497	1.4
159.08073	2.2
161.02347	1.4
171.00543	11.1
171.10194	1.1
185.02103	0.6
187.03868	0.5
227.14342	1.0
249.63397	0.5
271.13345	4.0
289.14441	26.9
290.14798	1.8
325.18127	0.7
326.78833	0.6
361.09088	0.5
389.17480	1.4
407.18594	31.3
408.19034	4.5
420.60907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.192
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.01770	0.6
57.03327	2.7
58.00452	2.2
59.01248	45.7
59.81129	0.4
60.01578	0.6
66.45144	0.3
67.14967	0.3
69.03318	1.2
70.74503	0.9
71.01250	22.6
71.04893	1.0
72.01594	0.4
72.99184	3.2
73.02814	10.9
75.00747	1.4
83.01260	2.1
83.04915	0.6
85.02815	7.9
85.99969	1.0
87.00750	6.6
87.04389	1.7
89.02313	18.6
93.03320	1.0
93.51134	0.3
95.01278	1.1
97.02814	0.8
97.06467	0.8
99.00776	1.1
99.04396	0.4
101.02318	21.9
102.02646	0.8
103.03889	8.8
109.02858	0.7
109.06477	0.9
111.00778	0.4
111.08037	2.2
113.02326	6.2
113.98564	0.3
115.03892	1.7
115.07465	0.4
119.03397	8.8
119.04736	0.4
121.02834	0.6
123.08025	0.9
125.02351	2.0
125.09618	0.7
127.03892	1.0
131.03395	4.5
135.04463	0.6
136.01460	0.4
137.02368	0.5
139.11320	0.4
143.03392	6.4
145.04947	2.8
149.02348	3.7
149.04430	0.4
150.03134	3.1
153.09109	0.4
155.14308	0.9
161.04463	1.2
162.17688	0.3
163.06027	16.3
163.11264	0.5
164.04659	1.2
164.06367	0.4
165.05478	3.9
165.12752	11.4
166.13002	0.6
171.10173	11.2
173.04459	0.7
179.05501	1.9
181.12260	0.4
183.13812	12.4
184.14185	0.5
187.13367	0.4
191.05487	0.8
195.06522	2.1
201.14874	4.6
205.07083	11.6
207.13885	0.4
209.11760	6.2
225.11198	0.8
227.12831	37.2
228.13155	2.5
243.12312	0.5
245.13899	100.0
246.14246	5.8
249.06064	0.5
253.09189	0.9
259.15427	0.6
265.09348	0.7
269.13916	1.1
287.14987	1.4
303.21732	0.6
344.12750	0.5
359.14938	2.9
389.25397	4.0
407.14191	0.5
407.19131	4.3
407.26389	10.5
408.19275	0.6
408.26572	0.5
424.71524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.9
58.00462	0.9
59.01250	40.4
67.01742	0.8
68.99673	2.0
69.03326	1.2
69.45815	4.7
69.46225	1.4
71.01248	14.1
72.99187	5.4
73.02814	2.0
75.00348	1.5
75.00742	17.1
77.64866	0.7
83.01261	1.1
85.02334	1.3
85.02823	17.2
87.00756	6.6
89.02310	5.1
93.03311	1.2
94.94012	0.7
95.01246	5.7
95.80846	0.8
99.00758	8.4
101.02341	1.5
102.93663	0.7
103.00264	1.7
109.13356	0.7
111.00753	1.3
113.02322	21.2
113.09601	1.3
114.02661	0.8
115.00273	1.4
117.01811	3.0
123.04439	0.7
123.87438	0.7
129.01822	1.5
130.47141	0.7
151.47556	0.8
157.08604	54.9
158.08934	2.6
175.02408	2.4
205.07144	1.5
212.55849	0.8
223.08174	1.0
231.05013	2.8
249.06131	22.8
250.06267	0.9
259.07190	1.6
267.07245	10.2
287.10349	2.2
313.08270	3.2
331.09299	2.5
335.46164	0.7
335.50272	0.7
375.08359	1.3
389.14307	1.9
407.15549	100.0
408.15753	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	407.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.9
57.88360	1.7
59.01249	18.4
65.99709	2.6
68.99688	12.8
70.44783	3.5
71.01247	10.7
72.99513	1.7
73.02829	2.4
73.03964	1.6
73.76657	1.4
75.00738	3.8
82.02841	11.7
85.02823	6.9
87.00745	4.1
89.02310	3.5
93.03354	2.2
93.23946	1.7
99.00774	5.5
100.27470	1.7
101.02323	18.8
102.58092	1.6
106.02840	1.8
113.02320	7.6
122.06021	1.9
130.08618	4.1
132.04485	2.3
134.03505	1.7
135.04437	2.2
136.03914	2.8
137.02333	2.0
146.06003	1.8
157.08665	5.8
160.07547	3.8
161.04556	3.0
162.04189	2.9
162.05460	3.4
164.01215	1.9
164.03384	8.5
166.02570	2.7
171.10188	5.0
173.04515	2.1
174.05589	3.4
176.03445	7.2
179.03439	4.9
186.05498	2.3
188.07111	7.4
191.05606	2.4
200.03514	2.2
202.08641	2.7
204.02966	4.0
204.05136	2.4
215.08075	2.4
216.05354	8.5
216.07016	3.3
216.10207	3.6
217.02550	3.7
217.06088	12.2
217.09868	2.9
218.06911	3.5
222.03998	2.0
228.06689	2.9
229.06027	12.5
230.03305	4.4
230.06891	5.8
231.07718	16.2
241.06255	3.1
242.03198	3.4
243.04034	25.1
243.07803	6.8
244.04782	10.7
244.09825	11.5
245.09381	7.2
248.09380	3.7
249.05539	2.0
254.06972	2.1
256.04861	8.1
257.05655	23.1
257.08551	2.8
257.09225	2.6
258.06323	6.2
259.07239	48.9
259.10770	7.7
261.08765	2.6
267.07199	4.3
269.09320	5.9
271.07193	24.4
272.07950	2.8
273.08722	6.7
285.08823	6.1
287.10361	81.3
288.08533	6.2
288.11142	3.8
291.09799	16.0
298.05896	3.1
313.08298	100.0
314.08710	11.5
331.09305	58.6
332.09787	4.5
335.08771	2.8
343.09311	3.9
345.10922	8.6
357.07495	2.3
361.10513	2.8
375.08292	23.0
376.08679	2.5
389.09766	4.4
407.10934	67.3
407.15695	11.0
408.11151	4.2
408.18951	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	405.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57853	0.5
57.08175	0.5
59.01248	100.0
60.01593	0.9
69.31883	4.9
71.01248	0.8
96.95881	1.0
98.20506	0.9
101.02314	0.6
108.02094	0.5
126.75229	0.5
137.02417	0.5
243.06664	1.2
250.21655	0.6
345.30130	4.8
397.17276	0.5
405.27213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52022	1.0
55.42379	1.1
59.01252	100.0
66.65078	1.1
71.01234	1.4
71.59676	1.5
74.66016	1.0
91.01778	2.3
107.08714	1.0
108.02048	1.6
109.02835	1.3
134.93890	1.1
135.00789	2.2
152.01038	1.6
153.01872	1.6
154.25780	1.0
210.50349	1.3
243.06581	6.8
327.07581	1.2
340.02179	1.3
345.30084	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	405.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60666	0.8
59.01248	100.0
60.01566	0.9
61.26493	0.9
66.01941	0.8
69.72314	4.8
91.03880	1.4
96.45389	0.8
132.24471	0.8
133.02812	1.0
138.85527	0.9
183.24149	0.8
271.22800	3.2
405.17026	3.0
412.32129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01584	0.9
60.47178	0.6
68.76363	0.5
72.12656	0.6
75.94497	0.6
77.68116	0.7
96.29810	0.7
96.95908	0.7
123.00560	0.7
137.61043	0.5
170.18852	0.7
271.22873	1.8
286.61240	0.6
313.70963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81604	0.4
59.01248	100.0
60.01596	1.1
69.25665	5.8
71.01248	1.3
85.02828	1.1
89.02345	0.6
98.19747	1.0
108.28604	0.6
116.44189	0.5
130.99590	0.5
153.01813	0.6
180.89561	0.5
189.57542	0.5
219.12357	1.4
243.06686	0.9
250.91956	0.6
405.24915	0.9
410.21637	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71538	8.1
50.92116	7.7
59.01246	100.0
72.36870	9.2
75.00759	11.2
78.41550	9.5
78.95828	9.5
96.95843	10.1
97.45313	8.7
98.20575	20.1
135.00815	20.2
155.54387	10.8
180.93396	9.8
209.11800	23.6
231.73782	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	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71538	8.1
50.92116	7.7
59.01246	100.0
72.36870	9.2
75.00759	11.2
78.41550	9.5
78.95828	9.5
96.95843	10.1
97.45313	8.7
98.20575	20.1
135.00815	20.2
155.54387	10.8
180.93396	9.8
209.11800	23.6
231.73782	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.03311	1.1
58.00478	0.8
59.01253	18.1
71.01250	9.6
71.04874	1.9
71.59074	0.7
72.99185	0.9
73.02815	1.8
82.39095	0.5
83.01248	0.6
83.04873	0.4
85.02817	2.5
87.00734	1.0
89.02319	7.0
93.03337	1.4
95.01264	1.0
95.04908	0.5
96.50703	0.4
96.95836	0.7
97.02823	1.9
97.06463	1.2
97.60558	0.5
99.00752	10.9
101.02327	4.3
108.02042	1.3
109.02854	0.6
109.06484	0.7
110.03621	0.4
113.02319	4.0
119.03380	2.1
121.06481	0.5
125.02309	1.0
125.09621	3.3
135.08113	0.4
142.02570	0.7
152.01033	0.8
161.04433	0.7
163.11234	4.3
181.12267	14.5
182.12614	1.1
191.05573	0.6
197.11729	0.6
199.13318	3.6
207.10214	17.6
208.10562	1.5
223.13361	1.5
225.11275	64.1
226.11589	3.1
243.12346	100.0
244.12701	6.7
267.12439	2.7
285.13358	1.3
329.11426	0.8
345.15576	0.6
405.12155	0.8
405.17615	16.0
405.25049	1.4
406.13422	0.6
406.18140	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	405.119
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01250	4.2
65.00195	0.5
69.03327	10.5
70.73314	1.0
71.01245	1.1
75.00730	0.4
79.01758	0.7
80.02522	0.4
81.03309	0.9
82.67805	0.3
83.01287	0.3
85.02844	0.6
89.02299	0.3
91.01771	14.2
92.02114	0.4
95.01295	1.7
96.95860	0.4
97.02827	5.9
107.01266	4.2
107.04883	0.7
108.02056	18.0
109.02874	4.3
121.02831	1.6
123.00770	7.2
124.01547	0.6
124.07550	1.0
125.02340	16.8
135.00778	19.3
136.01477	1.2
137.02371	3.8
138.05490	0.4
149.02309	0.7
151.00281	12.3
151.03880	0.4
152.01062	19.0
153.01854	4.7
162.92584	0.3
163.03914	1.0
169.06490	0.5
177.01826	1.2
182.04437	0.4
197.05991	1.5
199.07520	0.5
207.02963	0.4
213.05453	1.1
215.07126	0.8
242.03841	0.2
242.05820	14.1
243.06593	100.0
244.06938	6.2
265.26364	0.3
277.41879	0.4
285.07782	0.7
297.06247	1.1
307.13095	0.8
405.06689	0.6
405.11920	11.7
406.12143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1188
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.77256	0.7
59.01250	19.6
61.52621	0.7
65.03831	0.8
69.03323	56.3
70.03680	1.1
71.01253	2.4
71.58186	1.1
73.02828	1.2
79.01736	3.8
79.95576	1.1
80.96353	0.9
81.03319	4.5
83.01276	1.1
85.02828	3.8
87.00756	1.1
91.01773	10.9
92.52650	0.7
95.01267	7.5
96.95882	3.4
97.02825	34.4
101.02338	2.7
107.01263	22.9
107.04887	1.3
108.02058	19.0
109.02848	10.1
113.02332	1.7
118.78644	0.8
121.02824	3.1
123.00765	15.6
125.02331	100.0
126.02710	2.1
133.02827	1.9
134.03612	1.2
135.00771	27.6
135.04353	1.9
136.01608	4.6
137.02307	4.6
149.02341	2.9
151.00266	71.5
152.01060	18.4
153.01836	30.9
154.02162	0.8
161.02368	0.9
162.76077	0.8
163.03879	6.2
164.04617	0.8
165.05406	0.8
177.01828	9.0
193.04880	0.9
195.02934	0.7
197.05988	2.1
198.06831	1.5
207.02948	1.2
213.05437	1.2
225.05402	0.9
226.28047	0.8
242.02226	1.0
242.05794	87.1
243.06566	99.2
244.06898	6.3
285.04297	0.8
285.07620	3.6
297.06009	7.2
353.29263	0.9
402.29562	0.7
405.11813	42.8
405.28281	1.3
406.12006	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	405.1187
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
57.03313	0.2
57.14083	0.2
59.01244	0.8
65.00201	0.5
69.03323	0.2
70.42764	0.7
71.01241	0.9
73.02834	0.3
75.29818	0.2
80.02539	0.3
83.00579	0.2
83.01252	0.3
85.02820	1.9
91.01765	14.3
92.02104	0.4
93.03333	14.0
95.01266	0.9
96.19106	0.2
99.00755	0.3
107.04938	0.6
108.02047	18.5
109.02868	4.4
110.13612	0.2
111.00771	0.4
111.75725	0.2
121.02839	1.8
122.90038	0.2
123.00764	5.4
124.01570	0.5
129.01839	0.7
135.00768	15.6
136.01144	0.4
137.02335	9.3
138.02675	0.4
149.02339	0.3
152.01047	15.1
153.01842	2.5
153.07045	0.3
153.61438	0.2
169.06473	0.4
180.05717	0.6
181.06461	0.7
197.05986	1.3
198.06796	0.9
199.07571	6.9
200.07838	0.3
205.03450	0.6
213.05458	0.8
215.07062	0.8
225.05447	0.5
242.05775	0.2
243.06581	100.0
244.06920	6.4
297.06207	0.5
405.11868	15.3
406.12061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	(-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Peak:m/z	Relative Intensity
55.01744	0.6
57.03312	0.8
59.01249	5.0
60.93951	0.3
61.42789	0.3
63.48481	0.4
64.91985	0.3
69.03323	10.1
69.29868	3.8
70.03666	0.4
71.01249	7.1
71.17144	0.3
73.02814	2.6
75.00741	0.9
79.01786	1.1
80.02544	5.7
81.03328	0.8
81.12576	0.4
83.01263	0.9
85.02827	3.2
87.00737	0.4
89.02306	1.7
91.01760	0.7
93.03314	1.5
95.01261	1.4
97.02831	6.0
99.00767	1.1
99.04387	0.6
101.02332	3.1
107.01259	4.9
108.02050	100.0
109.02284	2.1
113.02316	3.1
113.05972	0.5
113.07765	0.4
121.02826	2.2
123.00745	1.9
125.02332	16.1
126.02672	0.4
127.09969	0.4
133.02847	0.8
135.00752	1.0
136.01546	0.8
137.02330	1.3
143.03395	0.4
151.00272	12.7
151.03902	0.6
152.00990	1.4
153.01857	4.0
155.08572	0.6
157.06497	0.5
159.02850	0.6
161.02341	0.5
161.04488	2.5
163.03896	1.5
168.00601	0.4
173.04474	0.6
177.01904	1.9
183.13927	0.4
191.05415	0.5
197.06020	0.7
198.06729	0.6
199.07576	63.0
200.07912	4.0
220.45107	0.4
242.05818	16.5
243.06575	12.8
244.06964	1.2
285.07520	1.0
287.18573	0.5
297.06128	3.3
348.03207	0.3
405.11798	3.7
405.20731	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99710	1.3
58.02844	14.2
59.01250	1.9
59.40652	1.1
59.82190	1.2
60.16043	1.2
69.37608	1.2
69.77084	2.8
69.77485	7.7
70.02852	2.1
71.01254	2.9
72.00787	1.8
72.99174	2.1
74.02338	28.9
74.02737	2.3
82.02861	3.5
86.02342	10.7
86.05966	2.0
86.30445	1.3
86.99000	2.6
87.05518	7.7
88.03936	1.3
88.23388	1.2
90.00033	3.0
97.03952	3.6
99.05515	26.3
101.07077	4.8
102.05481	3.8
107.06084	1.8
109.03967	3.2
109.07569	1.9
111.05522	1.8
112.03912	3.5
116.01638	2.8
123.05561	3.4
124.07564	1.7
125.03429	1.6
127.05006	4.1
128.03424	66.8
129.03760	1.6
135.05536	6.4
137.07060	2.9
141.06584	5.0
143.04515	100.0
144.04819	2.2
145.06084	4.8
146.04488	9.8
153.06619	6.7
155.08147	1.7
160.00658	24.0
166.09755	3.6
167.04536	6.1
167.08232	3.6
171.07684	1.9
177.03308	7.6
179.04532	15.6
181.06133	2.0
185.05618	3.1
191.05502	1.5
192.07793	1.6
197.05618	2.9
198.06895	9.7
198.08502	2.7
210.08786	16.4
242.07736	2.4
245.16510	1.4
254.07803	24.0
269.02679	1.3
272.08871	35.2
286.79120	1.5
288.06543	11.9
306.07626	89.8
307.07947	4.1
399.57431	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	405.1189
Annotation	(-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Peak:m/z	Relative Intensity
50.96285	0.4
51.29080	0.4
54.24593	0.4
55.40916	0.4
57.03300	0.9
59.01242	5.5
69.03322	7.5
69.39231	3.2
69.39639	0.8
71.01250	7.4
72.99208	0.6
73.02822	2.4
75.00739	1.1
79.01768	0.9
80.02548	4.8
81.03297	0.8
83.01245	0.8
85.02820	4.4
87.00742	0.8
89.02308	1.4
91.01746	3.2
93.03326	1.8
95.01237	1.1
97.02823	4.1
97.41391	0.4
98.19784	0.8
99.00713	1.0
101.02316	4.2
107.01266	3.0
107.04890	0.8
108.02042	100.0
109.01711	0.5
109.02303	1.6
109.02846	2.3
111.00769	1.1
113.02326	3.2
119.04869	0.6
119.21252	0.5
121.02847	2.1
123.00755	2.9
124.23568	0.4
125.02329	12.5
129.01828	1.5
133.02777	0.5
135.00787	3.7
135.04324	0.5
136.01529	1.0
137.02321	2.1
147.02928	0.4
149.02335	1.0
151.00256	8.6
152.01057	4.1
153.01845	4.9
155.08545	0.8
159.02930	0.7
161.02299	0.7
161.04449	3.0
163.03893	1.2
173.04382	0.5
177.01804	1.8
179.03551	0.7
180.48393	0.5
183.13770	0.7
195.06557	0.5
197.05942	1.1
199.07559	74.1
200.07916	4.4
227.12859	0.5
242.05786	12.8
243.06569	28.8
244.06979	1.7
270.84894	0.4
285.07733	0.5
287.18631	1.1
297.06180	1.8
336.65546	0.5
405.11789	3.4
405.21075	1.1
405.28757	0.9
414.59717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67226	14.2
59.01253	100.0
59.06328	14.5
61.05233	14.4
61.98691	55.8
68.42051	13.1
71.57651	25.0
91.86432	13.4
96.95827	17.6
126.88000	55.3
148.90855	15.5
216.95169	14.3
230.22241	15.1
254.93393	16.8
323.65875	15.9
344.18103	14.1
403.05289	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
61.98682	48.1
68.90343	20.1
71.01215	20.3
71.38209	19.6
71.57504	23.3
142.71918	18.0
239.32101	18.2
289.01190	26.1
303.02701	50.2
343.11203	18.5
357.52505	24.4
403.12195	24.7
403.25012	32.1
422.04001	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17635	0.4
59.01253	100.0
60.01597	0.8
61.98712	0.8
63.01628	0.4
71.30505	0.6
71.30833	0.6
73.60777	0.3
75.23359	0.4
87.03455	0.3
93.12006	0.4
109.64601	0.4
120.20914	0.4
128.10721	0.4
130.08643	2.2
131.03307	0.4
135.11676	0.4
142.38432	0.3
149.13274	1.0
157.12291	1.1
171.13881	0.5
200.09340	0.4
213.18527	0.5
243.11400	0.7
305.11496	0.5
322.20285	1.8
329.23154	0.6
343.28543	3.5
343.76016	0.4
424.61490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	5.2
57.32011	0.7
59.01245	21.6
61.98682	1.3
63.96178	0.7
69.03331	4.4
69.34895	6.9
70.45330	0.7
71.01244	3.5
71.04901	0.7
72.99153	1.1
73.02824	2.4
75.00748	1.3
81.03341	1.1
83.01242	1.1
83.04912	0.8
85.02811	3.9
87.00742	3.3
89.02304	1.1
93.03355	1.3
95.01263	0.8
97.02836	1.9
99.00710	1.6
101.02310	3.8
104.76625	0.7
105.11690	0.6
111.08028	9.8
113.02335	2.4
125.02351	1.6
129.01860	1.0
131.47372	0.7
133.02837	1.5
134.03555	1.0
135.04405	0.7
137.02391	3.3
141.01810	1.5
150.03168	1.2
151.00246	0.9
153.09099	3.0
155.03340	1.3
161.04462	6.9
163.11180	1.2
165.12752	100.0
166.13115	5.9
178.02634	1.5
181.12250	2.4
183.13812	47.8
184.14145	2.2
191.05452	0.9
191.10648	2.0
193.07112	9.3
209.11766	6.6
227.12820	46.6
228.13164	2.6
249.06137	1.5
267.07217	2.4
306.07413	1.9
403.15475	1.9
403.19742	29.3
404.19943	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
59.38545	0.3
60.01588	1.0
61.98698	0.4
68.99514	0.3
69.15405	0.3
69.68328	2.1
71.01250	0.9
71.09283	0.3
85.02798	0.5
89.02302	0.5
91.03873	0.3
91.18881	0.3
101.02323	0.7
107.02665	0.3
137.02318	0.4
211.13339	0.6
227.08369	0.5
229.14308	0.4
239.88901	0.3
258.99557	0.4
265.32437	0.4
283.10834	1.5
311.22394	0.4
327.09918	0.9
329.23239	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	403.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	0.8
57.03312	1.2
58.00457	1.3
59.01249	31.9
69.03333	2.8
71.01252	17.4
71.04893	1.6
71.58580	0.6
72.01603	0.7
72.99176	2.4
73.02798	1.7
74.37556	0.5
75.00736	0.8
80.29385	0.5
83.01248	1.9
85.02821	5.1
87.00746	1.0
89.02312	12.0
93.03352	0.5
94.50654	0.4
95.01234	1.9
99.00757	1.5
99.04413	0.5
101.02319	9.9
109.06442	0.5
113.02328	5.7
119.03382	5.8
123.08012	1.6
125.02247	0.5
135.04358	0.6
135.11678	0.6
137.02339	0.9
141.01665	0.5
143.03445	0.4
149.04280	0.6
161.04420	1.0
163.11156	1.0
173.04482	0.6
177.12657	0.6
179.10672	2.5
179.14301	2.0
191.05479	0.6
211.19292	0.5
223.09784	7.8
223.13313	13.5
224.13603	1.0
241.10779	0.9
241.14418	1.4
249.06186	0.9
285.17139	1.6
403.19699	100.0
404.20041	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	403.1969
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01757	0.8
57.03324	1.1
58.00457	1.4
59.01250	31.7
60.91933	0.2
68.63020	0.2
69.03330	1.3
69.70937	1.3
71.01253	16.9
71.04889	2.3
72.01598	0.5
72.99187	1.0
73.02798	1.3
83.01249	1.7
85.02821	4.8
87.00768	0.7
89.02313	11.7
95.01254	1.4
99.00767	0.4
99.04398	0.3
100.54942	0.2
101.02319	10.6
113.02333	5.1
119.03381	4.0
123.08054	2.6
137.09596	0.3
141.01880	0.3
151.11121	0.3
153.12804	0.4
163.11205	1.7
177.12781	0.7
179.14342	3.4
180.14661	0.3
195.13881	0.4
197.15381	0.6
205.12271	0.4
223.13344	20.2
224.13727	1.2
241.14384	2.5
266.45123	0.2
268.21732	0.2
385.18805	0.7
401.61441	0.3
403.19696	100.0
404.14728	0.6
404.20010	9.7
404.25226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	7.3
59.01248	37.0
69.03311	7.2
69.08755	2.1
71.01254	22.6
71.58068	4.8
72.99176	19.2
73.02813	8.1
75.00744	36.2
81.03322	3.3
82.03246	2.4
83.01259	3.9
83.04906	3.2
85.02818	24.9
87.00755	6.7
87.04402	3.2
89.02309	11.1
93.03345	3.1
95.04898	3.3
97.02801	5.2
99.00748	4.2
101.02340	12.6
104.93085	2.5
108.02059	3.2
109.02821	11.8
113.02315	8.2
115.00260	20.2
115.03919	3.2
119.03390	3.6
122.03591	3.2
123.04375	5.0
125.02313	9.3
129.01816	2.7
134.03661	3.2
135.00734	3.4
135.02878	10.9
135.04385	3.9
135.11618	3.1
137.02322	7.9
139.00276	2.7
151.03853	2.5
160.76494	2.5
163.18051	2.2
169.12271	6.9
171.10184	27.3
173.04526	5.6
175.02409	20.0
175.07501	3.0
179.03325	3.2
183.13783	4.5
191.05508	4.9
193.12273	3.7
195.13779	21.5
197.11737	39.1
211.13327	8.2
221.11771	2.8
223.13354	9.4
230.41721	2.6
239.12856	24.4
241.04982	3.5
241.14413	5.6
247.09775	3.6
267.12344	5.6
280.08423	3.3
283.11832	42.8
285.13422	100.0
285.16663	5.8
286.13751	9.2
295.10751	4.7
306.07477	4.8
307.11890	2.9
315.14478	7.4
325.13348	2.7
343.14111	12.5
403.14331	8.6
403.19568	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	403.1608
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03328	5.5
58.00469	1.7
59.01248	92.2
60.01569	2.2
69.03329	3.2
71.01252	23.0
71.04895	1.3
71.14471	2.1
72.99178	4.4
73.02818	4.5
75.00737	8.2
78.60213	0.9
81.03326	1.2
83.01251	2.5
83.04899	1.5
85.02826	15.1
87.00745	5.5
89.02312	14.1
93.03340	2.0
93.08515	0.8
95.01266	2.6
99.00751	5.5
99.04395	3.5
101.02316	8.1
103.00249	1.1
107.04892	2.1
108.02050	1.9
109.02827	10.3
109.06458	9.1
113.02321	17.7
117.01823	1.7
119.03381	3.6
119.08600	2.0
121.06451	1.1
123.00797	1.4
123.04396	1.2
125.02345	1.3
127.07533	22.5
129.01772	1.1
133.10103	1.3
133.72067	0.9
135.04419	3.6
135.08095	2.2
135.11707	0.9
137.02312	2.0
137.09639	4.6
141.27634	0.9
143.38870	0.9
147.78171	1.1
151.03906	1.1
153.01830	19.6
153.05519	1.4
161.04498	2.2
161.09625	4.2
163.07535	3.1
171.06511	1.4
173.04486	1.5
175.02397	1.6
179.03426	2.1
179.05598	1.8
179.10701	5.5
181.08618	11.2
182.08873	1.3
185.00838	1.9
191.05540	2.0
197.11758	46.8
198.12096	2.9
205.07100	1.4
223.09764	5.2
236.32213	1.1
241.10774	100.0
242.11111	7.4
249.06096	2.8
267.07117	1.8
283.11938	2.3
285.17072	1.4
310.91495	1.0
321.79846	0.9
343.13916	1.1
359.13330	7.3
403.12057	15.9
403.15924	3.3
404.12781	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
57.03311	0.6
59.01251	7.3
61.98683	0.6
66.58578	0.3
67.25687	0.3
69.03306	0.4
71.01245	4.5
72.99183	0.5
73.02824	1.0
74.02349	1.1
75.00716	0.7
83.01253	0.7
85.02808	2.4
87.00746	1.3
89.02312	0.8
93.03342	0.9
95.01288	0.5
97.02824	0.5
99.00760	0.5
101.02321	1.7
108.02034	3.2
108.89489	0.2
109.02855	0.7
111.00795	0.3
113.02318	1.3
113.91681	0.3
115.00247	0.5
115.96017	0.3
118.04977	0.8
121.02843	5.8
122.03626	1.1
125.02321	1.0
125.15696	0.3
134.03616	0.4
135.04442	0.4
137.02330	1.7
147.04369	0.4
149.02333	0.5
150.03133	2.9
152.00964	0.3
159.08055	0.5
161.04530	0.5
161.06113	0.3
162.03189	0.4
165.12790	0.3
169.06500	0.8
169.12271	0.5
173.04440	0.5
174.01610	0.6
175.02419	0.6
175.03770	0.4
181.06541	0.4
181.12363	0.3
183.13867	0.5
185.05998	1.5
187.07704	0.3
191.05595	0.6
193.04991	0.4
197.05989	3.1
197.11786	1.8
198.06787	100.0
199.07538	37.8
199.13344	2.1
200.07907	2.3
203.07013	0.4
203.10785	0.3
211.07567	0.6
213.05498	3.5
223.07570	0.8
225.09204	0.4
231.06714	0.5
241.08670	2.2
245.11798	0.4
253.08684	1.2
254.08946	0.3
263.12885	0.3
267.06833	0.4
279.11816	0.3
285.13455	2.2
306.07629	0.5
307.11911	0.9
312.08551	0.7
325.12878	0.5
343.11938	0.4
343.17584	1.8
361.18674	5.0
362.18835	0.5
367.11737	0.4
403.14053	2.2
403.19739	9.7
404.20175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02269	1.4
59.01228	6.6
59.79963	1.4
60.95123	1.5
60.99178	2.3
61.98682	3.1
65.72894	1.7
67.01746	4.5
69.03316	1.5
70.10957	1.5
71.01250	3.9
71.44692	2.3
71.45046	1.8
72.99180	34.3
73.02787	2.2
74.32069	1.5
79.70460	1.6
81.03333	4.0
83.04903	2.9
85.02807	14.2
87.00755	10.4
89.93954	1.6
93.03329	50.9
96.59489	1.5
101.02315	2.6
108.02027	2.2
109.02813	5.8
111.04397	10.3
121.02824	5.0
123.00792	3.3
123.04381	2.1
124.01544	2.9
127.03903	3.0
129.01791	2.0
136.01505	5.1
137.02335	56.9
138.02679	2.7
139.03883	7.7
149.02332	10.9
167.03406	6.8
173.03064	3.3
173.04457	45.3
178.84752	1.7
191.05525	100.0
192.05824	5.2
193.01357	7.5
193.06091	2.0
247.04497	14.8
301.46320	1.8
332.19418	1.9
385.08105	2.4
403.08658	2.3
403.15790	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	401.254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
66.94109	1.2
67.86449	1.0
69.51870	7.1
71.01237	1.9
72.43486	0.9
85.02842	1.4
89.02319	1.9
101.02274	1.2
111.75950	1.0
113.02307	1.5
121.02841	24.4
121.05488	1.0
132.33427	1.0
135.95979	1.0
141.01756	1.2
158.81508	1.2
181.06558	1.3
225.05617	1.7
269.10236	1.1
278.91431	1.5
282.38525	1.1
313.07217	5.9
327.21646	2.4
341.10812	3.4
357.06250	2.4
385.92755	1.2
401.08688	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1811
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
52.75826	0.3
55.01753	1.8
57.03320	3.3
58.00456	1.1
59.01249	24.9
63.08700	0.3
67.01772	0.5
69.03306	1.0
71.01250	27.6
72.01578	0.5
72.99181	3.9
73.02811	6.4
75.00738	3.8
83.01253	3.3
83.74545	0.4
85.02818	11.5
87.00745	3.3
89.02312	12.5
93.03333	2.4
95.01260	2.2
97.02814	1.0
97.20864	0.4
98.19840	0.9
99.00760	3.4
101.02319	18.5
103.92646	0.4
105.01805	5.1
107.04910	8.2
108.05186	0.3
109.02818	1.2
109.06425	0.5
111.00770	0.7
111.04393	0.8
113.02325	9.7
115.26859	0.3
119.03376	4.8
121.02863	0.9
123.04436	0.6
123.08025	2.3
125.02321	0.6
129.01820	1.2
131.03404	0.4
134.04597	0.5
135.02866	0.5
135.04401	0.8
137.02394	0.6
137.09618	0.6
141.27315	0.5
143.03404	1.4
151.03893	1.3
151.11179	0.5
155.03462	0.6
159.02927	0.9
159.04233	0.4
161.04459	6.2
173.04454	3.9
175.02371	1.3
175.03789	0.5
177.12747	4.2
179.03453	0.7
179.05525	0.7
179.10756	0.6
185.00891	0.5
191.05544	4.7
192.05844	0.5
193.04982	0.6
195.13788	1.9
203.10730	0.6
205.03471	0.4
207.13853	0.6
217.08859	0.4
221.11739	6.0
221.13745	0.4
225.14854	1.9
239.12851	0.7
249.14813	0.7
258.75122	0.4
267.16040	0.8
269.10394	0.6
284.81271	0.4
292.09476	0.6
295.09415	0.4
339.12515	0.5
357.09814	0.4
383.17349	0.9
400.02698	0.4
401.18192	100.0
402.13831	0.4
402.18518	8.0
404.39362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48518	0.6
55.01772	1.6
57.03321	21.7
58.00463	2.6
59.01250	53.1
60.31691	0.6
67.01759	0.9
68.99692	0.7
69.03319	5.0
69.50784	3.9
69.51208	1.5
71.01250	35.5
71.04855	0.8
72.83222	0.7
72.99173	3.7
73.02811	3.7
74.14362	0.6
75.00744	1.3
82.02840	0.7
82.19125	0.7
83.01250	3.3
83.04903	1.3
85.02821	11.8
86.19132	0.7
87.00751	2.7
89.02313	25.5
93.03331	2.8
94.84834	0.7
95.01251	3.5
97.02846	1.5
99.00749	2.6
99.04353	0.7
101.02322	18.9
102.02646	0.8
107.04902	1.6
107.08543	0.8
108.02041	1.0
109.02831	2.8
109.06487	1.6
111.04412	1.3
113.02326	10.6
119.03389	9.6
119.04906	2.1
119.08569	0.9
121.06517	1.6
123.00774	1.1
123.04437	1.5
123.08044	1.8
125.02311	0.7
135.04393	2.9
135.08145	0.6
137.02390	1.1
137.05977	2.0
137.09612	0.6
138.06783	0.7
143.03426	1.8
147.08046	1.2
147.11674	1.1
148.05185	0.9
149.02353	1.0
149.05945	0.9
149.09604	3.3
151.03882	1.5
151.07539	2.6
153.09033	0.7
155.03381	1.2
159.11722	1.2
161.04466	1.7
161.09602	3.2
163.03926	1.2
163.11188	3.0
165.09109	2.8
173.04449	4.9
173.09541	1.7
175.07457	1.0
175.11188	26.9
176.11577	1.3
177.05576	0.9
177.12756	25.2
178.13098	1.3
179.03442	1.8
179.05490	1.1
185.00856	1.2
187.07574	1.0
191.05539	12.5
191.10683	5.4
192.05887	1.4
203.10793	1.2
217.08739	1.2
221.11736	5.8
239.05573	1.0
269.10318	0.8
292.09525	1.3
295.09576	2.0
339.12427	1.9
374.21368	0.6
393.92615	0.8
401.18137	100.0
402.18552	8.2
424.84610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	27.7
59.01248	59.9
70.35316	10.0
71.01246	45.3
73.02813	9.1
74.07770	2.7
83.01292	3.1
85.02811	24.9
87.00754	3.4
89.02320	26.3
93.03355	5.9
95.01278	5.1
101.02317	20.6
109.02831	8.3
109.24181	3.1
113.02325	14.5
119.03384	8.7
123.08039	12.0
135.04411	11.9
135.08052	4.4
137.02321	4.9
148.05188	5.5
151.07529	29.7
153.01761	3.6
159.08107	3.7
161.04437	8.5
161.09648	10.1
163.07565	26.5
165.09129	14.9
168.07794	3.0
177.09163	7.4
179.05621	3.4
179.10675	19.1
187.07640	4.5
187.56053	3.9
188.08342	12.0
191.05482	4.0
203.10704	70.7
208.24649	3.4
219.31181	3.1
221.11766	100.0
222.12146	5.9
307.69299	3.4
405.08521	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	401.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16800	1.6
58.99455	2.2
59.01254	10.2
64.95113	61.8
68.01293	2.7
70.98222	6.2
71.01251	26.1
71.98998	14.9
73.70464	1.4
73.96922	3.1
74.00554	8.0
79.49791	1.6
83.98993	2.5
86.02341	11.0
88.95122	6.5
89.02315	2.0
94.02862	12.0
95.02391	6.6
96.04427	1.6
99.98512	1.5
101.02348	2.2
102.00084	2.9
102.98457	14.2
105.97787	41.0
108.89869	2.3
109.03960	21.5
112.00285	79.2
112.62071	1.6
113.00632	2.2
116.98813	4.5
121.02833	24.5
122.03207	1.7
126.00089	10.7
137.03458	100.0
138.01846	4.6
138.03777	2.4
141.01158	3.4
145.99075	37.9
153.02875	3.3
169.00743	2.2
181.06456	2.3
195.97366	1.6
202.99370	7.9
213.13219	2.0
225.05481	2.4
228.69534	1.6
238.18068	1.8
252.14325	2.5
254.15761	2.4
263.11377	3.7
272.16974	3.2
285.15515	1.6
289.01102	3.0
291.20764	5.2
299.07779	1.8
303.02744	4.1
313.07120	5.7
315.17392	1.8
324.16299	15.7
335.19745	69.2
336.20044	5.3
341.10648	2.7
341.19043	8.1
357.06070	2.5
358.15131	12.0
363.12531	3.8
365.14093	1.8
367.16922	29.5
368.17294	3.3
401.08908	7.6
401.15628	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	401.145
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01755	6.9
57.03321	8.2
58.00451	2.1
59.01249	51.0
60.71727	0.8
64.09052	0.8
68.99670	0.9
69.03328	6.2
69.53654	7.2
71.01250	95.4
72.01585	1.0
72.99178	4.7
73.02818	38.8
73.14881	0.8
75.00746	3.5
76.76344	0.8
81.03324	1.2
83.01251	15.2
85.02822	50.9
86.03139	1.6
87.00748	6.3
89.02311	14.9
93.03335	4.1
95.01258	6.9
96.95148	0.9
97.02827	3.7
98.19839	1.8
99.00755	24.4
101.02317	66.7
102.02651	1.4
107.04925	1.1
109.02829	2.2
111.00750	3.3
112.01535	2.8
113.02326	39.8
114.02660	1.5
119.03400	0.8
123.00741	1.3
125.02353	3.7
129.01834	3.5
131.03432	2.5
135.04448	1.8
137.02364	2.1
141.01888	1.0
143.03391	3.7
149.02376	1.9
151.03917	3.7
159.02898	8.0
161.04459	48.2
162.04822	1.5
163.72295	1.0
164.28099	0.9
173.04518	3.7
177.03993	1.9
179.03352	0.9
179.05577	1.0
185.00899	2.7
191.05540	7.9
195.05049	2.1
203.07095	1.5
205.03473	2.5
211.94258	1.0
221.11824	2.4
223.06313	1.2
229.28697	0.9
248.33784	0.9
249.06221	3.5
269.07938	1.1
269.10281	85.7
270.10593	5.7
401.14560	100.0
402.14938	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34668	3.8
57.03304	6.7
59.01258	4.9
59.17612	4.0
69.91892	21.0
71.01250	7.9
74.22140	5.5
85.02818	55.2
87.00746	52.5
87.95393	4.1
99.00751	4.5
109.02794	7.8
111.00777	13.7
118.41975	4.1
123.04442	9.4
129.01808	17.7
133.02835	5.9
164.04657	13.0
166.02539	5.6
179.03433	12.4
179.07030	43.8
181.04903	9.1
191.05475	9.3
193.04918	11.0
194.05707	12.5
195.02821	6.4
205.03444	22.4
209.08119	21.4
223.04526	27.7
249.94928	4.0
250.04741	3.8
265.07153	100.0
281.56317	4.0
319.22647	4.0
325.09290	24.2
377.51819	4.6
383.09546	6.4
401.10849	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1234
Annotation	5,6,7,3',4',5'-Hexamethoxyflavone
Peak:m/z	Relative Intensity
57.03320	0.7
59.01241	4.6
65.00195	1.4
67.74612	0.5
70.64131	1.3
70.64471	0.7
70.96093	0.6
71.01235	1.9
73.02792	0.7
73.37924	0.6
79.01771	1.1
83.01247	0.9
84.12056	0.5
85.02826	1.1
87.00761	0.6
92.64210	0.6
96.01395	0.6
97.02847	0.6
101.02309	1.1
109.02845	1.7
116.07005	0.9
121.02840	4.2
123.00728	0.6
125.02350	1.2
125.05971	1.2
135.00743	0.9
135.04385	0.7
136.01550	1.4
137.02309	1.8
138.03128	1.5
139.07564	0.6
148.01572	1.6
149.02339	0.9
149.05939	0.9
150.03058	0.6
151.03894	1.2
161.02307	1.5
163.00223	1.5
164.01012	2.4
165.01859	7.8
166.02646	3.5
167.03366	1.7
167.07085	0.8
168.00607	0.6
179.03462	1.2
182.91823	0.7
188.01033	1.6
189.01833	0.8
191.07204	0.7
197.05957	1.0
205.01396	4.3
211.03867	0.7
213.05518	0.6
217.05008	1.3
225.05537	1.4
227.03467	0.6
235.06065	1.2
237.07655	1.4
241.05022	3.0
243.06592	1.8
253.05034	1.5
269.04553	2.9
270.05377	1.2
271.05908	0.9
283.02490	0.9
285.04053	1.1
297.03986	3.9
298.01355	1.3
298.04791	26.3
299.05338	2.9
309.04050	6.6
309.20645	0.7
310.04910	2.6
313.07156	4.3
315.05038	2.8
316.05795	2.9
325.07181	2.0
327.04980	3.7
327.21472	2.0
329.06714	1.8
331.07404	1.0
338.07693	0.8
348.04816	1.1
356.08875	1.2
357.09573	0.8
368.08890	2.1
383.11572	2.7
386.10001	14.8
387.10367	1.4
401.12387	100.0
402.12726	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	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09792	2.0
59.01243	3.1
71.01248	3.3
71.28169	4.9
85.02825	9.9
87.00751	42.1
94.55979	2.3
99.15135	2.2
101.02331	2.6
101.07858	2.3
123.00790	3.1
129.01836	2.2
138.03041	2.9
141.78821	2.1
146.03726	2.3
149.02321	3.1
161.02396	6.7
163.03943	8.5
164.04718	10.7
165.05537	3.8
166.02643	4.2
175.03886	2.8
176.04744	6.4
177.01836	3.8
178.06284	12.5
179.03473	5.5
179.07031	22.9
181.05022	7.8
191.03471	13.1
191.05566	5.7
191.07069	4.9
192.04117	2.6
193.05087	4.1
194.05724	5.0
203.03531	4.8
205.01511	2.7
205.03320	2.8
205.05011	5.8
206.05772	3.9
207.06569	2.4
209.08116	8.6
218.05794	3.1
219.02908	3.0
221.04555	2.7
221.08224	4.4
223.04547	5.2
234.05235	2.6
247.02431	4.7
247.05995	3.4
249.07697	3.9
250.04802	3.5
251.09222	5.0
262.04807	7.3
265.07166	57.3
266.07492	3.0
277.07184	28.4
295.08206	86.1
296.08569	7.8
337.09222	2.3
355.10275	28.3
383.09723	6.6
401.10873	100.0
402.11133	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	401.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64369	4.7
55.01733	3.7
55.95813	3.4
57.03316	17.1
59.01235	18.1
71.01241	17.3
71.57271	5.0
82.70117	3.4
83.01261	8.5
85.02817	100.0
86.03174	6.3
87.00744	43.6
89.02306	9.2
93.03323	4.1
101.02305	11.2
108.02048	39.5
109.02840	24.6
111.00764	28.5
120.51174	3.6
121.02905	4.1
123.04369	6.4
129.01820	38.5
133.02844	14.1
135.04424	7.0
137.02310	4.5
151.03920	8.9
151.53981	4.0
152.01064	24.0
152.92914	3.4
153.01785	12.4
163.03960	5.9
164.04669	6.5
166.02673	6.2
176.04665	4.8
177.01721	6.3
178.06267	5.2
179.03381	12.0
179.05522	5.0
179.07031	18.3
181.04912	10.4
191.01624	3.4
191.03485	5.7
191.05472	11.5
193.08319	3.6
194.05736	9.2
195.02858	6.6
197.04439	6.5
203.03348	5.5
205.03386	29.7
206.03900	4.0
209.02979	7.6
209.07997	12.1
218.12239	3.4
223.04553	33.1
224.04991	8.2
265.07150	45.8
277.07300	8.3
295.08170	23.6
325.09229	7.7
341.10913	11.7
355.10318	4.0
357.08255	30.1
358.08490	4.4
401.05991	6.5
401.10825	82.4
402.11142	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46236	1.8
55.01752	2.3
56.68046	2.0
57.03320	16.2
59.01240	7.1
59.51898	2.3
71.01245	8.4
71.44580	3.6
72.99162	2.6
75.00744	3.2
83.01244	7.3
84.02049	3.6
85.02818	100.0
86.03130	3.5
90.04082	1.9
91.82877	2.2
101.02310	6.0
108.02046	5.9
109.02821	2.8
109.29788	2.1
111.00755	23.2
116.80093	2.0
123.04418	17.1
129.01822	47.8
133.02831	11.3
137.02376	4.3
142.74139	1.9
151.03889	3.7
152.01051	4.8
152.58499	2.0
153.01823	2.2
161.04416	4.2
167.94662	2.4
179.03300	2.3
187.02370	3.1
191.05571	2.8
193.08636	2.5
195.02911	13.7
205.03448	52.4
209.00864	2.3
209.02866	3.0
223.04526	68.5
224.04848	4.0
281.06763	3.2
357.08218	7.3
401.11044	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87702	0.6
59.01243	1.5
69.38801	5.2
71.01257	1.1
73.02863	0.6
85.02833	0.9
93.42363	0.6
107.01303	0.7
113.02334	0.9
121.02899	0.6
125.02295	1.0
127.20723	0.6
131.01262	4.2
131.03790	0.6
133.02837	2.2
137.08009	0.6
147.00742	0.6
148.01535	7.5
149.02361	0.9
160.01563	1.0
165.01849	0.8
175.00285	19.4
176.00748	1.2
188.01028	1.8
189.01805	1.0
193.01360	2.8
200.01118	1.6
211.03888	0.7
215.03447	3.9
223.04001	0.9
224.04713	2.1
225.05486	1.5
227.03413	1.8
233.04477	1.7
235.03993	1.2
236.04727	0.8
240.04239	0.6
241.05009	2.7
242.02136	1.4
251.03432	6.3
252.04163	1.2
253.05048	2.6
255.03117	1.0
256.03625	0.8
264.04208	2.3
267.02869	1.2
268.03775	2.4
269.04559	4.1
270.05157	1.7
279.02954	5.1
280.03653	2.3
281.04449	1.3
283.02347	1.1
284.03275	6.9
285.04092	0.8
291.06506	1.0
295.02527	0.7
295.05960	1.1
296.03241	1.2
297.04019	6.5
298.04807	27.0
299.05283	2.3
307.02423	3.9
308.03241	60.6
309.03854	7.6
309.07455	1.2
312.02728	8.9
312.06180	1.1
313.03195	1.7
313.07205	2.0
323.05560	44.9
324.05838	3.5
325.03622	1.1
326.04279	17.5
327.05038	14.2
328.05521	1.3
338.04086	0.8
338.07874	1.6
341.06650	13.4
342.06882	1.1
344.05438	0.8
348.06259	3.4
349.06897	0.9
351.05072	7.5
352.05515	0.8
363.08762	1.0
366.07416	15.6
367.07822	1.9
381.09753	18.9
382.10132	2.0
384.08459	6.8
385.08774	0.8
399.10812	100.0
400.11169	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	399.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14735	0.6
57.03316	0.6
59.01242	2.8
69.03315	2.0
71.01247	1.3
71.58268	0.8
80.66830	0.5
83.01247	0.7
85.02798	1.2
89.38333	0.5
96.95901	0.5
96.96847	0.9
99.00743	0.6
101.02289	1.1
111.56282	0.5
113.02276	1.3
121.02815	1.0
122.39796	0.5
123.00737	0.9
125.02319	1.4
131.01271	4.4
131.36035	0.5
132.02101	0.6
133.02809	3.0
135.04398	0.5
136.01627	0.6
137.02350	0.9
147.00722	0.6
148.01553	8.7
149.02277	1.8
150.03091	0.7
151.00250	1.2
171.04471	0.5
175.00285	24.3
176.00697	1.0
183.13841	0.7
185.00784	0.8
188.01074	2.3
189.01837	1.0
193.01334	4.0
199.04068	0.6
200.01100	0.9
200.82762	0.5
211.03882	1.6
215.03400	3.5
216.04051	0.7
223.04050	1.7
224.04730	2.6
225.05499	1.5
226.06148	0.9
227.03487	1.2
233.04489	2.0
235.03920	1.4
236.04680	1.0
239.03403	1.3
240.04030	0.7
241.05042	3.1
242.02122	1.1
242.05481	0.5
251.03416	6.7
252.04108	1.0
253.04968	1.8
254.05690	0.8
255.02928	2.3
256.03641	0.6
263.03326	0.9
264.04260	2.9
267.02753	0.8
268.03796	3.1
269.04620	3.9
270.05176	0.8
279.02997	5.5
280.03690	2.0
281.04456	1.2
282.05099	0.7
283.02377	1.1
284.03250	7.7
285.03815	0.7
295.02481	0.7
295.06070	0.8
297.01022	0.7
297.04080	5.6
298.04791	23.4
299.05267	2.5
299.11908	0.6
301.06964	0.7
307.02432	4.6
308.03235	63.6
309.03851	8.0
309.07404	1.1
311.01831	0.7
312.02728	8.9
312.06119	1.2
313.03329	1.5
313.06943	1.2
323.05557	47.2
324.05902	4.9
325.03394	1.2
325.09689	3.2
326.04272	19.0
327.05035	15.6
328.05341	0.9
331.06662	0.7
337.07059	0.9
338.04361	1.0
338.07797	1.0
341.06601	16.2
342.07095	0.6
344.05331	1.0
348.06424	2.7
349.06815	0.7
351.05054	8.5
352.05408	1.1
363.08652	1.9
366.07364	15.4
367.07779	1.5
381.04828	1.1
381.09741	22.4
382.10110	2.0
384.08493	6.5
385.08783	0.7
399.10785	100.0
400.11130	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	3.5
56.82044	0.4
57.03321	17.0
59.01245	1.4
67.01759	1.1
68.99673	1.3
69.94546	2.2
71.00887	0.6
71.01247	6.7
72.99177	1.2
73.02808	2.1
75.00744	1.8
78.95791	0.6
83.01248	9.6
84.02048	2.7
85.02821	100.0
86.03168	1.6
87.00743	1.8
89.32917	0.5
93.03321	0.8
99.00774	1.0
101.02324	4.5
105.03263	0.6
109.02802	0.9
111.00758	28.8
112.01085	0.4
117.03342	0.9
121.02836	0.8
125.02329	0.5
129.01825	43.1
130.02124	0.8
134.03639	12.3
134.04637	0.9
135.04430	1.1
137.02322	0.8
143.03398	0.8
147.02875	0.9
149.02356	1.4
149.05977	1.2
155.03323	0.5
159.02855	0.8
161.04462	2.6
163.03789	0.5
163.30740	0.5
173.04431	1.3
175.03891	1.0
177.01779	0.6
178.02614	1.2
178.40277	0.5
179.03345	0.7
179.05446	0.6
181.05014	1.1
187.02362	1.1
191.05515	3.0
193.04977	7.8
205.03470	25.5
206.03758	0.5
206.61430	0.5
223.04532	20.9
224.04961	0.6
243.14610	0.5
322.26190	0.5
364.83176	0.5
399.09229	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	3.9
57.03323	18.8
58.03625	0.6
59.01244	2.0
66.02766	0.7
67.01762	1.2
71.01254	5.4
71.30079	0.6
71.35046	1.1
72.99171	1.4
73.02806	2.8
75.00755	1.7
83.01254	9.0
84.02040	2.3
85.02820	100.0
86.03156	2.2
87.00747	1.1
99.00759	1.4
101.02303	5.1
111.00762	25.9
112.01105	0.6
117.03342	0.7
129.01828	38.6
130.02138	0.6
134.03642	10.6
147.02986	0.7
149.06064	0.8
159.02777	0.6
161.04443	2.8
162.03177	0.8
162.55507	0.7
174.34631	0.5
178.02629	1.0
179.05565	0.6
187.02391	1.3
193.04961	7.9
205.03461	21.3
223.04536	17.2
224.05043	0.6
321.26337	0.6
340.65936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	4.2
57.03321	18.5
58.00475	0.8
58.32428	0.7
59.01246	17.8
59.62841	0.6
65.76215	0.6
67.01765	1.8
68.99676	1.3
69.03325	1.7
69.65160	5.0
71.01254	26.9
71.01657	1.3
72.99180	8.0
73.02814	3.5
75.00749	18.1
78.95756	1.1
83.01252	11.1
84.02026	2.8
85.02819	94.7
86.03145	1.6
87.00748	16.0
87.04384	1.1
89.02302	4.6
89.03831	0.9
93.03325	5.9
95.01267	2.0
95.04891	1.6
95.55367	0.6
97.02819	1.9
99.00768	3.7
99.04398	1.1
101.02320	13.2
103.00245	4.2
103.89403	0.7
105.01807	13.3
105.05930	0.6
109.02818	3.7
111.00759	37.6
111.04399	2.4
112.01117	1.0
113.02325	6.5
113.05960	2.4
115.00246	1.5
117.01796	1.0
119.03298	1.5
119.04890	0.7
121.06471	1.2
125.02299	1.9
127.00284	1.2
129.01823	34.5
130.02052	0.9
133.01279	1.1
134.03627	10.1
135.02888	8.1
135.03842	1.3
136.05182	2.8
137.02373	1.5
137.05937	1.1
139.07513	1.8
147.02853	2.7
148.01576	0.8
149.02344	1.6
150.06702	1.8
151.03868	0.9
151.07536	4.1
152.08339	0.8
152.99411	1.0
153.09114	1.5
160.01614	1.0
161.04449	2.1
161.09590	1.6
164.04744	0.9
165.09102	2.5
166.02785	0.9
168.57300	0.7
173.04451	4.8
175.02394	3.8
175.03804	1.4
175.07593	0.8
175.11212	0.7
176.02756	0.8
176.08372	0.8
177.09087	3.4
179.03424	0.9
179.05426	1.2
181.04955	1.0
187.02415	2.2
190.02713	1.1
191.05534	7.4
191.10672	0.9
193.03383	1.5
193.05017	5.1
194.09406	0.8
195.10210	1.4
201.09163	1.0
205.03471	37.7
205.12251	2.1
206.03737	1.7
219.10210	4.9
221.11821	1.4
223.04529	100.0
223.13231	1.6
224.04877	4.4
237.11264	2.1
247.13417	0.8
265.14670	1.2
281.13818	1.7
312.75864	0.7
328.48270	0.7
346.22638	0.8
371.17123	0.8
381.15509	2.2
399.12677	2.1
399.16653	44.4
400.17111	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	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97336	1.8
57.03323	16.8
59.01238	6.8
61.98706	2.3
64.59066	1.6
67.01796	1.7
69.41915	13.2
71.01247	10.4
72.99175	2.2
73.02817	2.9
75.00743	2.7
79.73997	1.9
83.01250	10.3
84.02025	4.0
85.02820	100.0
87.00771	2.2
89.02299	2.1
90.91378	1.8
93.03313	2.2
101.02322	7.9
102.34268	1.7
108.58839	1.5
111.00761	32.2
117.03355	1.6
121.02792	1.6
129.01831	39.7
134.03642	12.2
137.02393	1.7
151.03862	2.4
161.04410	3.5
166.06259	1.8
177.01782	2.2
187.02348	2.7
191.05473	5.0
193.04958	10.9
205.03442	25.0
205.05157	2.9
223.04512	21.4
225.07591	3.7
232.55804	1.7
342.21100	1.7
402.94818	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	397.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.6
59.34388	1.0
69.30324	10.2
71.01244	1.1
78.95788	2.1
79.95600	11.2
80.96401	1.8
94.97971	1.1
95.95107	3.0
96.07504	0.9
96.95890	83.6
108.26210	0.9
109.37904	1.0
122.97425	4.6
130.68933	0.9
167.00140	1.2
214.83324	1.0
255.23199	1.5
307.47604	1.0
377.17514	1.1
397.22635	100.0
398.23117	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	398.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40849	0.4
57.98658	0.4
58.88221	0.5
59.01250	100.0
60.01590	1.5
61.01676	0.7
61.98706	1.3
62.37130	0.5
70.69468	1.0
70.69833	1.0
78.50107	0.4
85.02861	0.5
86.02365	1.3
92.12862	0.4
97.22993	0.4
100.03877	0.6
105.30314	0.5
113.09619	0.9
126.58611	0.4
166.61617	0.5
179.14398	0.6
236.44728	0.5
238.18143	1.9
250.68158	0.5
280.97647	0.5
287.11459	0.5
320.25980	3.2
338.26962	5.8
339.27423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.114
Annotation	4-sinapoylquinic acid
Peak:m/z	Relative Intensity
59.01241	0.8
59.80362	0.6
69.26783	4.7
69.27198	1.5
71.01250	1.1
83.04901	0.7
85.02828	0.8
87.00771	1.2
89.02303	0.7
89.39220	0.6
89.99780	0.6
93.03318	4.4
98.20574	1.4
101.58514	0.6
111.00760	0.7
111.04390	2.8
114.22205	0.6
117.03326	1.0
119.04880	1.3
121.02842	9.7
127.03851	0.5
132.02040	1.5
135.04396	0.6
141.97110	0.6
147.04401	6.1
149.02345	60.2
150.02687	2.8
155.03368	3.4
163.03868	1.3
164.04697	40.7
165.05019	2.3
173.04431	5.5
175.03926	0.8
179.07065	2.7
191.05571	7.2
223.06062	100.0
224.06384	5.9
279.80478	0.7
314.35910	0.7
389.12851	0.6
390.07043	0.6
397.11328	5.9
398.12292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0927
Annotation	3,5,6-Trimethoxy-3',4'-methylene-dioxyfurano[2'',3'':7,8]flavanone
Peak:m/z	Relative Intensity
53.29870	0.2
59.01239	1.6
70.66452	0.2
71.01259	1.1
71.59078	0.3
71.59454	0.3
78.95794	0.7
85.02823	0.6
93.03332	0.4
97.36935	0.2
99.00751	0.3
100.59338	0.2
101.02332	0.4
108.02041	0.6
113.02316	0.9
121.02846	0.6
125.02425	0.3
133.02983	0.2
134.03590	0.3
135.04445	0.3
139.95076	0.2
141.09520	0.2
147.48317	0.2
148.01572	6.9
149.02271	0.8
151.00279	0.4
152.01083	0.7
152.99498	0.8
160.01579	0.5
161.04509	0.2
163.03902	0.4
171.04416	1.2
173.04503	1.2
175.00311	0.3
175.03979	0.6
189.05518	0.3
191.03389	0.4
191.05498	0.3
192.00577	2.7
193.01360	2.0
206.05809	0.5
215.03452	10.0
216.03847	0.4
222.98955	0.2
233.04509	7.4
234.05058	0.7
241.05022	0.2
251.03421	0.4
251.05739	0.3
267.03125	0.3
275.07043	0.3
280.03784	3.0
281.04459	0.4
291.06631	1.3
292.07324	0.5
295.02448	0.6
296.03384	0.3
297.07568	0.3
303.06592	0.4
305.04688	0.3
307.06046	1.1
308.06686	0.4
309.07773	1.7
319.06180	0.7
320.02963	0.3
320.06882	6.7
321.07471	2.1
323.05594	1.1
324.02728	8.3
325.03061	0.7
325.07047	3.9
335.05719	0.5
336.06439	0.9
337.07227	0.5
338.07990	1.1
339.04993	0.4
353.06662	2.9
354.07339	3.1
364.05865	8.0
365.06091	1.2
366.03748	1.5
367.04434	0.7
382.06931	100.0
383.07285	11.6
397.09271	71.2
398.09619	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	396.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00504	0.6
59.01254	100.0
59.03750	0.6
60.01590	1.0
69.76551	3.7
114.58616	0.5
157.65921	0.6
161.28963	0.5
217.00371	0.7
397.11014	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19540	0.3
59.01239	2.2
64.68334	0.2
65.03832	3.3
65.69444	0.3
67.01747	1.2
68.99690	2.8
69.69384	1.7
71.01244	0.9
73.02816	1.3
83.63703	0.3
85.02818	0.6
89.02279	0.4
91.01763	6.4
91.25287	0.3
99.00752	4.2
109.02827	31.4
110.03182	0.9
113.02338	0.6
117.01778	0.3
121.02809	0.3
125.02309	0.7
128.19077	0.3
135.00764	26.7
135.04362	0.5
136.01079	0.4
137.02362	0.5
144.67906	0.3
153.01826	100.0
154.02168	3.9
161.04533	0.4
161.07982	0.3
163.03949	0.3
165.12752	0.5
175.03926	0.7
177.01848	0.8
183.13899	0.6
187.83759	0.3
217.05070	0.3
279.02817	0.3
297.06116	19.2
298.06503	1.2
397.08966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62622	0.6
59.01252	100.0
60.57417	0.6
61.98715	2.5
70.74684	1.4
70.75018	0.7
118.20167	0.8
128.04646	0.6
138.29984	0.6
139.11209	0.7
217.00258	0.9
232.97520	1.7
266.17743	0.9
267.18481	1.5
283.06076	1.1
299.17328	3.2
312.06577	0.8
318.24252	1.5
327.08804	1.5
336.25360	4.5
346.15921	0.7
393.30286	0.7
396.24265	1.0
397.12994	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	395.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86186	10.6
56.75904	9.8
56.95082	9.6
57.03311	10.7
59.01252	71.0
69.65909	71.0
71.01247	29.1
75.00729	15.4
85.02792	22.4
87.00765	13.7
96.95861	15.8
98.20509	22.8
98.22335	11.3
99.00755	12.9
109.06404	10.0
113.02325	20.9
113.05952	15.5
115.03864	12.4
131.37363	10.1
136.82764	12.7
137.02347	100.0
152.34944	10.1
165.12762	23.1
183.13831	28.3
190.96663	16.6
196.93425	10.8
238.09422	13.9
395.11386	41.7
395.24551	20.4
396.25702	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	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.7
57.03308	1.6
59.01249	15.7
59.65736	0.6
62.31719	0.5
63.67636	0.6
68.99677	2.3
69.03307	2.3
69.45934	4.9
71.01249	15.1
72.99172	3.2
73.02811	2.4
75.00351	0.9
75.00745	11.2
83.01250	1.4
83.04923	0.6
85.02819	14.9
87.00741	4.6
89.02316	3.9
93.03349	1.2
95.01266	3.6
97.02786	0.7
98.19833	1.4
99.00743	7.0
99.08029	28.3
100.08363	0.9
101.02333	1.0
103.00203	1.3
109.02857	0.8
111.00753	1.3
113.02325	16.4
117.01789	2.2
119.04906	0.6
129.01831	1.4
134.35956	0.7
139.64282	0.6
145.08600	64.9
146.08932	1.7
146.42206	0.6
161.96768	0.6
163.03889	0.7
173.04443	0.7
175.02402	2.6
189.03955	1.7
191.05542	0.9
201.01692	0.6
231.05107	4.0
249.06116	100.0
250.06502	4.0
395.15546	43.5
396.15759	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	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03041	5.2
57.03320	100.0
59.01249	95.1
64.29008	2.4
71.01246	27.5
73.02817	9.4
83.01245	4.2
85.02818	13.4
89.02302	5.6
98.20639	5.4
99.00738	3.6
99.04391	71.7
101.02310	41.9
113.02310	14.1
125.02316	29.9
135.04370	3.6
151.03876	7.4
159.02856	3.1
161.04465	20.2
173.04591	2.7
191.05510	3.6
233.10265	3.7
251.11317	52.1
293.12305	10.4
395.15353	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.7
59.01254	4.2
60.01373	0.6
65.21342	0.7
69.03329	35.0
71.01253	0.9
71.59176	0.6
71.59644	1.0
95.01267	2.3
96.95935	0.8
97.02833	36.2
98.69324	0.8
99.00766	7.5
109.02869	0.8
111.08018	1.2
113.02365	0.9
125.02305	1.2
135.04393	0.8
141.01837	2.4
165.11359	1.3
165.12758	19.6
166.13123	1.3
183.13837	65.2
184.14185	4.3
185.00826	6.6
209.11765	1.1
227.12849	100.0
228.13200	6.4
237.17596	0.7
316.18253	0.9
336.06714	1.0
395.13852	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	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12690	0.3
56.14616	0.4
56.54499	0.3
59.01255	100.0
60.01592	1.2
60.24549	0.3
65.92525	0.3
66.94952	0.3
71.01251	0.5
74.04131	0.3
77.08067	0.3
229.18825	0.3
291.18231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1133
Annotation	Parimycin
Peak:m/z	Relative Intensity
54.59512	0.7
59.01254	5.0
61.98693	1.8
63.39903	0.7
65.00191	5.1
69.27610	2.0
69.28030	5.3
71.01270	0.8
82.67892	0.8
85.78996	0.7
86.37978	0.7
89.00216	1.4
91.01749	1.1
96.95886	1.7
97.02811	3.8
121.02819	1.2
124.01585	4.3
139.03894	5.4
146.03621	1.6
149.05981	1.2
149.99475	1.5
151.00261	1.5
160.05252	1.2
164.01025	0.7
165.01833	15.3
168.90109	0.7
172.05177	4.2
173.05981	1.5
174.03171	3.4
175.07533	1.2
179.03506	1.3
185.06030	1.6
186.06770	0.9
187.07512	1.5
188.04498	0.9
199.03943	4.2
199.07581	1.5
200.04727	22.3
200.08479	1.3
201.05269	1.7
201.09210	2.3
203.07077	6.3
211.07516	0.9
215.07086	1.0
217.00291	0.7
218.05739	0.9
218.96126	0.7
227.07121	2.3
229.08662	24.2
230.08980	2.1
255.02933	2.9
255.06549	2.5
279.06644	0.7
280.03818	3.3
292.07751	0.8
298.04797	2.9
307.06119	1.5
308.03259	38.9
308.06458	1.5
309.03619	3.8
313.07053	2.2
313.10437	0.8
313.23923	1.0
321.04300	3.6
322.04706	1.9
323.05594	100.0
324.05905	8.7
326.07999	1.2
334.08398	0.9
336.06381	8.8
337.06918	0.8
338.07965	1.1
349.10727	0.8
351.04892	2.7
351.08685	17.2
351.11923	0.7
352.09427	5.1
353.10281	1.1
365.06738	1.7
366.07574	1.7
377.10306	2.0
395.11331	23.6
396.11551	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73374	0.7
55.01748	2.3
57.03314	1.6
58.00457	4.6
59.01249	100.0
69.03319	0.8
69.46754	5.6
71.01250	57.4
72.99194	4.6
73.02814	23.9
83.01257	2.9
85.02821	13.8
87.00762	2.0
89.02314	67.4
90.02655	0.9
93.03360	1.5
95.01251	5.0
99.00755	67.4
100.01092	0.9
101.02318	27.5
111.00834	0.9
113.02323	35.4
119.02564	1.6
119.03381	20.8
125.02355	0.9
131.03380	9.1
143.03392	4.1
149.03275	1.7
149.04457	27.1
150.03090	1.0
161.04454	17.1
173.04420	1.1
174.04790	1.0
179.05540	8.9
189.14935	1.4
191.05524	28.8
192.05870	1.2
199.80579	0.8
233.06621	3.2
261.13437	1.7
293.08542	0.9
351.20142	3.1
378.70203	0.8
393.17615	38.0
394.17944	3.6
407.14957	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11903	0.3
59.01249	100.0
60.01594	0.9
71.01250	0.4
71.59095	0.5
73.02838	0.3
74.19497	0.3
89.02346	0.4
93.03328	0.3
96.95913	0.5
101.02355	0.5
120.00915	0.3
135.04413	2.6
139.03893	0.3
143.82068	0.3
148.04498	0.3
149.02339	0.5
165.45775	0.3
173.48584	0.3
177.01813	3.5
177.03020	0.3
177.35274	0.3
224.98749	0.3
256.85388	0.4
309.41788	0.3
357.61713	0.3
361.07312	0.4
393.10028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.2
59.01252	54.7
69.03339	3.7
70.85539	4.4
71.01254	2.4
75.79629	1.4
79.36826	1.3
83.04897	2.1
102.32150	1.5
109.06482	1.9
111.08044	38.1
127.07585	2.4
137.72173	1.4
147.11732	1.9
151.11198	6.8
153.12733	2.3
165.12758	5.4
169.12292	7.3
174.99191	3.6
183.61058	1.4
197.11774	100.0
198.12123	6.4
199.13350	3.9
208.97185	1.5
211.13388	7.7
215.10477	2.6
217.00249	22.5
217.08510	1.6
219.09984	80.0
220.10309	4.7
227.12822	3.0
233.11569	42.0
234.11987	2.4
249.13387	4.2
251.11407	14.9
252.11813	2.0
261.11102	2.1
263.20258	5.1
279.10846	2.6
287.16302	3.3
291.19708	19.0
292.20090	1.7
293.12448	21.5
294.12845	3.0
309.20709	77.3
310.21124	8.3
331.18921	34.7
332.19196	2.3
375.17792	5.6
391.19925	17.6
392.19968	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
59.01247	48.7
60.98706	1.1
62.33124	0.9
69.03306	1.3
70.81245	2.1
70.81579	1.1
71.01259	1.0
83.04887	1.1
85.85014	0.9
86.94662	0.8
95.04852	1.2
95.89117	1.0
97.06467	1.0
99.92489	1.1
109.06441	2.3
109.21691	0.9
111.07269	1.6
111.08030	22.3
115.50794	1.0
136.04102	0.8
147.11659	5.5
151.11180	1.9
153.12772	1.0
165.12717	7.5
167.27911	0.9
169.12245	7.1
174.99132	3.2
183.13663	1.2
197.11758	67.1
198.12030	3.5
198.25060	0.9
199.13280	1.9
211.13303	4.2
215.10437	8.2
217.00209	13.6
219.09973	6.4
233.11548	100.0
234.11815	5.0
235.11769	1.3
237.09618	1.2
249.09825	1.1
249.13409	1.8
251.11325	9.1
252.11517	1.5
263.20068	2.5
265.18253	1.0
279.10834	3.2
291.19623	12.4
292.20010	1.1
293.12451	19.0
294.12497	2.2
309.10037	1.2
309.20715	42.6
310.21024	4.6
313.17838	2.5
331.18713	6.3
375.18073	1.1
391.20682	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	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01587	1.0
68.49086	0.4
69.37007	4.0
70.13181	0.4
71.01243	2.3
73.02817	0.9
75.00732	0.7
78.95792	1.0
79.95596	0.6
85.02821	1.3
89.02326	1.3
96.95917	0.9
98.19807	0.8
98.50539	0.5
101.02337	0.8
105.23538	0.4
119.03377	0.6
154.76007	0.5
161.04398	0.6
167.01143	0.6
200.04721	0.4
217.00189	0.9
223.13301	3.5
224.94099	0.7
269.04605	0.6
331.17651	1.1
332.18011	0.5
390.97083	0.6
391.17786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13377	0.4
52.70845	0.3
54.31075	0.4
59.01250	100.0
60.01599	1.0
69.42360	1.2
69.42782	1.8
71.01247	3.8
73.02834	0.3
74.13316	0.3
75.45093	0.3
85.02837	1.1
88.55089	0.3
89.02324	5.6
89.02837	0.5
101.02310	3.1
113.01683	0.3
113.02312	1.9
119.03387	2.6
131.71956	0.3
137.02338	0.4
143.03423	0.4
161.04478	1.6
165.61324	0.3
175.02681	0.4
179.05594	1.1
184.40797	0.3
229.14426	0.8
293.15839	0.4
331.17493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54480	0.3
59.01252	100.0
60.01585	1.1
71.01250	1.0
71.66345	0.3
74.28577	0.3
78.24899	0.3
80.76510	0.3
83.45496	0.3
85.02844	0.4
87.12434	0.4
113.94487	0.4
117.81239	0.4
143.29720	0.4
153.05365	0.4
165.05646	0.4
194.03673	0.3
214.14815	0.4
229.29344	0.4
236.34442	0.4
326.77124	0.4
349.59534	0.4
356.96460	0.4
377.67270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.5
57.03307	1.2
59.01247	100.0
60.01575	0.6
65.00185	1.5
70.73163	1.1
71.01249	11.6
71.04903	0.5
72.99205	1.0
73.02816	3.0
83.01275	1.9
85.02812	4.2
87.00739	0.9
87.04418	0.5
89.02309	6.5
93.03361	0.7
95.01284	1.1
97.02817	0.5
99.00760	1.1
101.02321	6.9
107.01280	1.7
108.04444	0.5
109.02883	0.6
113.02321	4.9
114.02730	0.4
119.03384	2.6
119.04943	1.5
120.01326	0.4
123.00784	0.4
123.08097	0.5
125.02361	0.8
131.01416	0.5
134.03598	0.7
135.04521	0.5
143.03412	0.7
143.04889	1.2
145.02872	3.2
151.00267	3.4
159.02974	1.2
161.02388	0.4
161.04483	4.3
161.05981	1.2
173.04385	0.7
175.00285	0.5
179.05643	0.8
182.02107	0.6
185.06087	2.3
229.05008	25.0
229.09830	1.3
229.18068	0.6
230.05261	2.5
253.04976	4.9
254.05380	0.5
271.06122	2.4
274.56735	0.5
331.17606	2.5
343.12091	0.6
391.10712	1.2
391.23315	2.5
391.27496	6.9
392.10336	0.5
392.23502	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84547	1.2
57.03324	5.7
59.01248	100.0
60.01570	1.2
61.49085	0.9
69.03308	1.9
69.82597	2.2
69.83015	3.7
71.01247	23.9
72.99176	1.6
73.02813	10.7
75.00729	1.1
83.01248	2.8
85.02812	9.2
87.00745	4.1
87.04374	1.3
89.02306	10.7
93.03329	2.3
95.01279	1.8
99.00721	2.3
99.04377	2.7
101.01786	1.2
101.02328	15.2
102.01764	1.0
109.02767	1.4
113.02332	12.0
117.21029	1.0
119.03368	5.5
119.04889	0.9
125.02310	1.6
131.03363	1.3
133.02841	1.8
135.04408	2.1
137.02344	1.2
139.03577	0.9
143.03328	1.2
149.02289	1.8
160.01535	1.4
161.02393	7.0
161.04477	6.6
171.00395	1.0
173.04451	2.6
175.03851	1.9
176.72318	0.8
179.03372	1.5
185.07079	2.8
187.13298	6.7
187.87909	1.2
191.05493	4.4
227.08197	2.8
262.62387	1.0
271.08395	1.4
279.86270	1.1
331.17480	8.3
349.18689	10.1
355.10278	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	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45225	20.9
59.01263	60.2
69.94066	100.0
71.01263	27.3
106.34859	17.9
156.04094	18.2
381.64731	21.8
410.40466	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	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
70.34319	22.1
70.86778	5.2
83.97659	6.5
116.74005	5.6
158.74417	6.3
224.44971	5.9
225.12418	7.0
296.98740	6.7
332.59796	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	391.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03344	6.6
58.32164	3.1
59.01250	41.1
70.87729	8.4
70.88084	4.3
71.01257	32.1
72.99184	21.6
73.02811	13.6
75.00748	25.3
83.01255	8.4
85.02840	15.2
87.00751	100.0
87.01270	8.1
89.02309	30.5
96.00793	3.5
99.00749	29.0
101.02332	23.3
103.00263	9.7
105.01779	3.7
111.00759	13.4
113.02354	21.0
115.00253	18.0
117.01827	22.5
119.03417	5.7
127.00272	22.5
129.01822	18.8
135.48119	3.3
139.00249	9.6
141.01830	15.9
142.99774	5.8
145.01369	4.2
147.02875	5.8
157.01324	24.9
159.02937	18.4
161.04558	4.4
175.02408	31.9
177.03998	21.2
179.05562	16.1
193.03513	3.8
193.07104	6.2
227.72787	4.7
307.21564	4.6
337.07788	16.1
355.12723	20.1
391.10046	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	389.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
55.85539	1.4
56.65632	1.2
57.03321	4.5
59.01247	58.3
59.94873	1.7
60.15546	1.3
69.03331	2.1
71.01228	3.2
71.57513	2.1
80.02543	2.7
81.03331	6.2
83.01246	12.8
83.04898	3.8
95.04900	4.5
97.02837	5.1
97.06469	10.4
106.04133	1.4
109.02821	1.9
119.81028	1.4
121.02781	1.8
121.06455	3.8
123.04414	12.3
123.08053	5.8
125.06001	2.1
125.09602	19.3
135.08041	4.4
137.06020	2.7
137.09616	9.0
141.12698	3.0
142.02657	1.5
149.06000	2.0
160.08798	1.5
163.07526	2.1
163.11192	17.3
165.09108	1.5
165.12715	7.0
167.10719	2.4
175.07359	4.7
179.10703	1.6
181.12238	5.0
185.11732	18.7
191.10654	4.5
191.14330	18.4
192.60295	1.4
197.11818	1.9
207.10158	13.3
209.11752	80.5
210.12067	4.0
211.13451	1.6
217.00256	2.6
221.11621	1.3
225.11252	7.6
231.09975	56.6
232.10295	4.4
233.11531	4.9
245.19066	37.5
246.19389	4.5
249.11075	1.6
263.20029	2.7
265.10114	1.5
271.17047	5.2
283.17072	1.6
285.18137	2.1
289.18063	100.0
290.18411	9.4
291.12106	2.3
292.44708	1.4
296.33179	1.4
307.19116	56.4
308.19446	6.2
317.17166	6.7
329.17313	12.9
330.17560	1.8
389.19662	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	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01780	0.5
57.03315	3.5
58.00449	1.0
59.01248	24.7
69.03317	2.5
71.01247	19.5
71.01558	0.5
72.99185	1.4
73.02811	3.8
73.97202	0.6
75.00742	1.6
79.95621	0.5
81.03362	0.6
83.01244	1.6
85.02816	11.9
87.00755	0.7
89.02317	8.5
93.03316	1.0
95.01271	5.4
97.02824	1.4
97.06474	1.0
97.71310	0.6
98.19756	1.8
99.00744	0.8
101.02322	12.7
111.08025	3.0
113.02324	27.2
119.03359	1.6
131.03377	1.1
134.03629	1.3
135.04390	1.9
137.09596	0.9
139.00220	1.0
143.03430	1.9
150.03133	1.3
151.03893	1.1
153.09219	0.6
161.04483	5.3
165.05484	2.4
165.12758	29.5
166.13155	1.6
167.14279	1.6
173.04431	1.2
179.03441	0.9
179.05568	1.2
179.14215	0.8
183.13823	69.3
184.14143	3.6
191.05467	0.9
193.05074	1.5
195.13844	2.1
197.15399	9.9
198.15714	0.7
207.13887	9.5
209.11754	6.5
225.14954	8.2
227.12828	100.0
228.13141	6.5
241.14424	1.5
249.15047	0.7
251.12868	13.9
252.13170	0.9
263.12790	1.3
265.14493	1.4
269.13919	12.7
270.14273	0.8
273.12405	1.1
281.13892	1.6
293.13968	3.7
306.87323	0.7
329.10007	0.7
329.16153	1.5
329.23148	0.9
345.14508	1.9
347.24442	1.8
353.16132	0.8
389.17886	1.3
389.25412	11.8
390.25745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	1.4
57.03328	2.0
58.00464	2.0
59.01248	100.0
60.01592	0.8
63.38089	0.7
69.03326	2.3
69.30947	6.4
71.01250	50.6
71.04887	1.7
72.01582	0.7
72.99191	2.2
73.02814	54.7
75.00742	1.3
81.03336	1.0
83.01250	15.3
85.02819	9.4
87.00747	2.2
87.04391	0.9
89.02312	16.7
95.01272	2.0
96.95955	0.7
97.02818	1.2
97.06496	1.0
99.00771	1.7
101.02319	50.8
102.02654	1.8
113.02323	17.5
119.03382	9.1
123.08076	1.0
125.02357	2.4
131.03375	5.1
131.96288	0.8
135.04434	1.3
137.02405	0.9
143.03389	4.0
149.04465	3.4
150.03171	1.2
155.03464	1.0
161.04443	9.0
165.05504	0.9
165.12761	1.5
167.10663	13.4
168.11142	1.0
179.05585	1.4
179.07185	0.8
180.07820	1.7
183.13857	1.6
191.14465	0.7
193.04994	0.9
195.06601	0.8
201.11363	1.6
203.05577	1.1
207.67245	0.7
209.15448	2.2
223.09703	3.4
227.12866	1.8
227.16608	0.9
321.68341	0.8
329.23340	1.9
347.24454	2.4
389.17795	1.3
389.21671	2.6
389.25601	8.7
390.25891	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.98705	1.3
69.03301	0.9
70.32480	0.6
71.01244	3.5
71.58273	0.6
71.58669	1.0
73.02830	1.1
80.96391	1.1
84.11037	0.6
85.02828	1.7
87.00751	0.6
89.02338	1.7
89.72965	0.7
100.49040	0.6
101.02331	2.1
113.02350	2.1
119.03437	0.8
122.06018	2.2
124.07598	2.4
141.08038	0.6
148.03912	4.1
150.18330	0.7
161.04486	0.6
166.04996	1.2
167.10680	38.8
168.06598	1.1
168.11082	1.8
172.75009	0.7
174.83351	0.6
191.10660	0.8
209.11781	0.8
227.12889	1.5
273.12512	3.1
291.13385	4.4
376.95905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1451
Annotation	Reptoside
Peak:m/z	Relative Intensity
53.93724	0.9
55.01743	3.6
57.03304	2.4
58.00466	1.2
59.01249	30.6
71.01247	40.9
72.99187	2.3
73.02816	11.4
75.00734	3.9
83.01256	5.7
85.02338	1.3
85.02817	16.0
87.00749	6.1
89.02305	13.9
95.01244	2.8
99.00745	5.0
101.02321	33.2
109.02773	4.9
113.02323	17.2
119.03385	7.6
128.85255	0.9
131.03374	3.6
133.59752	0.9
135.04410	2.5
137.02336	45.5
138.03029	2.1
141.77800	1.1
143.03384	2.2
144.50983	1.2
151.03879	1.6
152.04681	20.0
153.05421	4.4
159.02887	3.5
161.04446	7.1
167.07056	3.1
173.04527	1.2
175.08827	1.0
179.03459	5.7
179.05304	0.9
184.03720	5.3
193.05022	2.4
194.05759	3.1
197.04506	2.8
209.08122	10.2
212.06833	26.7
213.07289	1.3
221.06685	2.3
227.09187	100.0
228.09525	5.5
237.06100	4.0
257.96432	1.0
389.14508	69.4
390.14899	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	389.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73483	0.5
59.01245	2.6
69.49957	0.6
69.50286	4.9
71.01241	1.6
72.42201	0.5
80.66888	0.6
83.01216	0.5
83.04905	0.7
85.02818	1.8
87.00750	0.6
89.02316	0.7
91.05413	1.0
93.03338	3.2
96.98209	0.8
107.04911	4.8
111.04405	2.7
117.03346	0.7
133.02863	1.5
134.03595	3.0
135.04410	100.0
136.04756	3.9
139.11186	0.5
142.42783	0.6
153.05516	0.8
155.03426	2.1
161.02399	1.1
173.04468	10.2
179.03413	29.5
180.03761	1.8
191.05531	18.5
192.05727	0.7
205.75200	0.6
251.14043	0.6
276.11517	0.6
353.08716	25.2
354.09149	1.8
389.06287	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	389.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01737	1.5
57.03314	1.8
58.00456	2.1
59.01250	57.2
60.99165	1.7
67.01775	3.6
69.03304	2.6
70.23603	2.5
71.01251	24.5
72.99158	2.1
73.02805	3.1
75.00751	1.0
77.66108	0.6
81.03329	1.2
83.01247	2.6
83.04905	0.8
85.02336	1.2
85.02819	14.2
87.00735	4.8
89.02312	17.0
91.05372	0.9
91.17931	0.8
93.03335	22.7
95.01246	1.8
95.04922	0.8
97.02779	1.1
99.00762	2.5
99.04419	0.8
101.02305	16.0
107.04919	1.6
108.02013	1.0
109.02830	1.7
111.00747	1.1
111.04392	4.5
113.02306	7.9
119.03375	8.4
125.02319	1.5
127.03880	2.2
129.01796	0.9
133.02823	0.9
134.03622	2.1
135.04405	34.2
136.04707	1.6
137.02321	2.6
147.87141	0.8
149.05930	0.9
150.03130	2.1
155.03358	2.5
159.03029	0.9
161.02284	1.7
161.04475	2.6
162.03143	1.5
165.05482	2.1
166.02591	2.4
167.10722	0.9
173.04466	73.9
174.04794	3.1
177.05431	1.9
179.03441	9.2
179.05565	1.9
190.06052	0.8
191.05534	82.9
192.05888	3.0
193.04999	2.3
195.06522	0.9
205.05112	0.8
209.11797	6.6
219.06599	1.5
241.10773	1.0
249.07742	0.9
251.05591	1.6
269.08133	1.0
280.08603	1.8
293.06595	2.2
295.10880	3.5
313.08405	1.3
313.11850	5.8
327.13519	1.1
329.08649	1.8
341.10272	1.1
353.08749	37.6
354.09015	2.3
357.10904	3.0
369.02466	0.8
371.16754	1.1
389.07101	5.0
389.18118	100.0
390.18527	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	387.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
71.01240	37.1
73.02831	13.0
83.01224	8.7
85.02812	22.3
89.02309	41.5
94.62710	9.2
101.02312	45.8
106.31944	9.3
109.66644	8.3
113.02307	23.5
119.03377	29.4
129.96416	9.3
161.04437	14.8
229.23795	9.4
365.55429	10.1
384.29120	9.3
387.20587	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	387.275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59731	8.7
59.01247	100.0
70.86745	12.9
71.01239	23.3
89.02347	17.5
101.02291	15.5
113.02332	12.3
119.03329	9.9
225.15240	7.4
267.49026	7.9
333.04977	9.1
372.72864	7.3
387.20023	12.0
396.30545	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	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83158	6.7
59.00983	8.6
59.01247	100.0
59.74757	6.7
63.49521	6.2
68.26939	6.0
71.01244	69.3
72.99171	8.4
73.02837	7.6
85.02818	25.3
89.02309	66.6
95.62828	7.3
98.19801	19.6
101.02325	39.4
113.02323	34.0
119.03398	32.0
138.83829	6.6
161.04468	9.5
179.05522	8.9
225.14853	9.8
272.67996	6.5
283.76392	7.8
326.28455	6.7
387.20248	44.4
396.81760	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	387.2023
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.01757	3.8
57.03321	5.5
57.69737	0.4
58.00463	4.1
59.01249	93.0
60.01595	0.8
69.03342	0.6
69.64531	3.0
71.01251	60.0
72.01574	0.5
72.99184	4.3
73.02814	9.1
83.01250	6.7
84.02049	0.6
85.02819	21.4
87.00751	4.1
89.02314	42.0
90.02670	0.8
91.79807	0.5
95.01268	4.5
97.02845	0.7
98.20584	0.9
99.00757	2.6
101.02318	38.5
102.02701	0.6
111.00735	0.9
113.02328	20.9
119.03386	17.1
123.08063	0.6
129.01819	0.6
131.03383	0.9
137.09657	1.4
143.03389	1.7
149.04453	0.7
150.24205	0.5
151.07573	1.0
151.11275	0.6
152.08354	1.9
153.12796	0.7
159.02896	1.3
161.04448	4.6
163.11218	1.2
168.09404	0.5
179.05545	2.2
179.14331	0.7
181.12270	0.9
189.12868	0.6
195.13817	1.8
197.15388	2.2
207.13857	2.7
225.14897	18.0
226.15363	0.7
249.32761	0.5
322.85126	0.5
387.20224	100.0
388.20526	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	387.2023
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
55.01752	1.4
57.03324	2.1
58.00462	1.0
59.01247	100.0
60.01570	1.0
63.81947	0.4
69.03332	2.3
70.06944	2.4
71.01249	19.2
72.99187	1.7
73.02820	6.3
75.00731	0.6
76.19350	0.5
79.17460	0.4
83.01255	2.6
85.02823	8.2
86.00580	0.5
87.00751	1.7
89.02305	7.3
93.03341	1.0
95.01266	2.0
97.02824	0.7
97.06435	0.6
99.00771	2.5
99.04424	0.6
101.02312	16.3
108.02079	0.5
109.02860	1.4
109.79715	0.4
113.02325	7.9
113.03057	0.6
119.03367	2.6
123.04447	0.5
125.02345	1.1
136.01518	0.9
136.04814	0.4
137.02364	1.9
143.03418	0.6
147.03201	0.6
149.02261	0.6
151.03920	1.2
159.02910	1.9
161.02473	0.6
161.04454	6.4
163.03915	0.6
165.12766	4.6
179.05507	0.6
185.00876	0.8
191.05698	0.6
221.06606	0.6
225.14973	2.1
262.29883	0.5
304.91696	0.4
327.18210	1.7
327.21695	0.6
345.19135	18.2
345.22885	2.0
346.19608	2.1
387.10794	1.3
387.15219	1.0
387.19949	6.9
387.23447	0.9
387.28040	1.1
388.20554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.166
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01760	1.5
57.03302	2.6
59.01249	100.0
60.01579	1.4
69.03317	2.3
69.99664	0.8
71.01249	40.5
72.99178	2.2
73.02816	24.4
77.23961	0.8
83.01253	8.0
85.02824	10.9
87.00734	2.6
89.02312	20.5
91.46317	0.7
95.01250	2.5
97.02814	1.5
98.19727	1.8
99.00755	3.0
101.02317	32.4
108.02076	0.8
113.02322	12.4
119.03383	9.6
121.10133	6.2
125.02362	2.1
129.01784	0.9
131.03374	1.7
135.04427	1.0
143.03438	2.1
147.82272	1.1
149.04390	1.2
151.03969	0.9
155.03404	1.0
159.02824	1.0
161.04478	9.4
165.09103	2.8
179.05478	1.8
198.76773	0.9
221.08112	1.8
225.14885	1.5
248.67328	0.9
301.16580	2.5
327.14462	2.1
345.15472	5.2
387.16492	30.4
388.16962	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72474	0.4
57.03326	0.9
58.00471	1.2
59.01249	71.0
60.01577	0.8
69.57731	2.3
69.58164	1.5
71.01251	13.8
72.99192	1.0
73.02822	0.6
73.35920	0.4
75.25420	0.4
76.16884	0.5
77.77135	0.4
81.33057	0.5
83.01252	1.1
85.02812	2.9
87.00728	0.7
89.02309	12.5
89.03958	0.4
95.01261	1.0
98.19786	0.8
101.02315	9.4
109.06480	0.6
113.02328	4.4
119.03373	5.3
121.91254	0.5
127.70115	0.4
131.03453	0.6
131.23506	0.4
143.03503	0.6
147.08052	0.5
161.04517	0.5
163.11182	42.7
164.11549	2.0
165.09067	0.5
169.69960	0.5
179.05559	0.9
205.05064	0.8
206.05238	0.6
207.10107	0.9
338.26440	0.4
369.15503	0.7
377.72403	0.5
387.16577	100.0
388.16901	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	46.9
59.98518	0.7
69.03352	1.1
70.04175	2.3
71.01250	8.4
72.99188	0.9
85.02811	2.2
89.02315	9.8
94.10456	0.6
95.01225	0.7
98.19806	0.9
101.02326	6.1
113.02312	3.6
119.03385	5.0
131.79813	0.8
158.15625	0.7
163.11192	3.0
170.00343	0.6
185.00859	1.2
207.10211	12.0
208.10367	1.1
293.08682	0.8
387.16574	100.0
388.16861	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	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.7
57.03313	0.9
58.00473	1.5
58.51588	0.5
59.01249	84.3
60.01588	0.9
61.98693	0.5
69.03320	1.3
70.35207	1.6
71.01251	17.7
72.99191	2.1
73.02837	0.6
73.14743	0.5
75.48877	0.5
83.01262	0.8
85.02814	5.1
85.96342	0.5
87.00743	0.5
89.02310	16.2
93.03333	3.2
95.01281	1.8
99.00744	1.1
101.02316	10.9
113.02330	6.3
114.45831	0.5
119.03387	7.3
121.02798	0.5
137.02341	8.0
149.02325	1.2
158.79958	0.5
163.11186	5.3
164.04633	0.7
169.28719	0.5
185.00809	0.8
190.02553	0.7
205.04810	0.6
207.05609	0.9
207.10202	13.9
208.10507	0.6
210.04553	0.5
223.06093	1.7
224.06444	1.5
225.06583	1.6
238.77802	0.5
249.06183	0.8
288.75595	0.6
387.16589	100.0
388.16898	10.5
388.21820	0.7
389.12332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.3
57.03326	0.4
59.01247	3.9
65.03806	0.2
66.89335	0.2
67.01753	0.2
68.99693	0.4
69.03305	0.4
69.80141	0.8
69.80554	0.2
70.48337	0.2
71.01247	3.7
72.99180	0.6
73.02814	0.4
75.00740	2.0
79.32479	0.2
81.03316	0.2
83.01231	0.3
85.02820	3.0
87.00754	0.8
89.02317	1.5
93.03331	47.0
94.03646	1.6
95.01269	0.7
97.02848	0.2
98.20488	0.2
99.00754	1.1
101.02309	1.0
103.00235	0.3
109.02821	0.2
111.00796	0.2
111.04409	0.2
113.02323	2.7
115.00290	0.3
117.01780	0.2
119.03395	0.3
125.02304	0.2
127.67778	0.2
129.01874	0.2
137.02336	100.0
138.02655	3.1
139.00322	0.2
143.03517	0.2
149.99449	0.3
161.04440	0.4
166.96104	0.2
170.20239	0.2
173.04442	0.4
175.02359	0.3
179.05457	0.2
194.00320	0.2
198.25308	0.2
225.14862	0.5
231.05148	0.3
249.06117	16.4
250.06503	0.7
355.06784	0.5
387.09274	3.6
387.15656	0.2
387.20316	0.7
388.09879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.2
71.01245	1.6
85.02815	2.1
86.92285	0.5
89.02309	1.3
91.03873	1.7
96.92236	0.6
99.08051	0.8
101.02320	0.7
103.34592	0.5
110.16223	0.5
113.02322	0.9
115.07505	0.9
115.44508	0.5
121.02856	0.7
122.24374	0.6
129.01833	0.6
131.08148	0.7
153.09128	1.5
167.14270	2.6
183.13844	2.0
195.13843	11.9
196.14200	0.6
199.81021	0.6
205.12228	0.8
213.14948	1.3
223.02336	0.6
223.04533	2.2
242.15172	1.4
249.22142	1.0
265.21564	0.9
273.03754	0.6
275.20016	0.6
283.22504	0.6
287.05563	1.2
293.21188	10.4
311.22272	100.0
312.22601	8.7
385.25537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87899	0.4
55.01785	0.4
57.03315	0.7
59.01246	3.7
59.58508	0.5
71.01252	1.7
77.42787	0.4
79.82948	0.4
85.02832	2.8
89.02301	1.6
91.03871	1.4
101.02306	0.9
109.12712	0.4
113.09612	1.0
115.07535	0.6
121.02826	2.5
121.13031	0.5
128.08263	0.7
153.09116	1.0
158.83322	0.5
167.14330	3.1
183.13837	2.3
191.09227	0.5
193.08629	4.1
195.13831	10.5
196.14165	0.8
198.72792	0.5
205.12265	0.5
211.13382	1.0
213.14943	1.7
223.04459	2.5
223.13293	0.5
242.15086	0.8
249.22176	0.9
265.21689	0.9
267.23337	0.9
275.20264	0.6
280.13913	0.4
283.22903	0.5
287.05069	0.7
293.21207	10.4
293.24435	0.7
294.21631	1.2
311.22250	100.0
312.22580	8.8
377.81628	0.6
385.12149	1.4
385.25800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.223
Annotation	Oleandolide
Peak:m/z	Relative Intensity
59.01247	6.4
65.22457	0.4
69.43764	4.0
71.01260	2.3
71.04846	0.4
71.95146	0.4
72.99198	0.5
73.02808	0.5
79.95623	0.4
85.02823	2.3
87.48042	0.4
89.02308	2.3
91.03886	2.6
97.06459	0.5
101.02331	0.9
111.00769	0.8
113.02300	1.0
121.02846	1.2
122.03582	1.4
123.04395	0.5
125.02326	1.1
126.03188	0.5
129.01840	0.7
136.05164	0.5
137.02310	0.8
152.08368	0.5
153.09122	1.1
161.04434	0.5
167.14320	3.6
193.15895	1.7
205.03476	0.6
205.05222	0.5
205.12245	0.6
207.17482	1.4
211.13347	0.9
223.04480	2.1
223.20670	1.7
224.21060	0.4
231.17506	1.0
233.15404	0.5
239.19814	0.4
249.18552	7.3
267.19641	100.0
268.19983	8.0
275.16516	11.2
276.16791	0.9
293.12253	1.7
293.17578	69.8
294.17877	5.1
311.18597	12.1
312.18954	0.8
367.21210	9.0
368.21616	0.7
385.22287	56.4
386.22650	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	385.1866
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
53.87687	0.3
55.01759	2.1
57.03322	2.5
58.00468	4.5
59.01247	100.0
60.01581	1.0
69.03334	0.4
69.42982	0.6
69.43391	2.0
71.01250	79.2
72.01594	1.0
72.99178	6.2
73.02816	6.0
75.00745	0.8
81.03308	0.4
83.01253	3.9
85.02818	16.7
87.00745	3.8
89.02312	94.7
90.02642	1.2
93.03338	0.4
94.25167	0.3
95.01248	5.1
97.02824	1.1
97.28342	0.4
99.00768	2.0
101.02316	48.4
102.02682	0.8
109.28831	0.3
111.00780	0.6
113.02324	34.0
114.02660	0.6
119.03382	42.8
120.03725	1.0
122.03644	0.3
123.08028	2.9
125.02341	1.4
125.09605	0.8
129.01836	0.6
131.03401	4.6
135.04385	0.3
135.08057	1.4
136.05222	1.0
137.02313	0.9
137.09618	1.6
143.03392	7.1
143.04523	0.4
147.08046	1.8
149.04471	3.3
151.07562	0.6
152.08325	1.0
153.09114	16.0
154.09462	0.6
159.02896	1.2
161.04462	8.7
161.05814	0.6
161.09663	0.4
163.11205	0.8
165.09125	1.1
175.11218	0.4
177.12717	0.8
179.05522	12.8
179.10722	0.4
180.04201	1.0
180.05876	0.7
187.11183	2.2
189.09138	0.4
190.09926	1.2
203.10718	0.5
205.03413	0.6
205.12262	16.9
206.12589	1.3
210.83752	0.4
223.04428	1.6
223.13374	3.6
224.13586	0.4
385.11252	0.6
385.18640	13.2
386.18927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.01754	2.9
57.03331	3.5
58.00461	3.0
59.01252	54.6
69.03338	1.0
69.50420	4.7
71.01254	62.9
72.01586	0.9
72.99176	2.3
73.02815	10.2
75.00765	0.8
81.03385	0.7
83.01260	4.0
84.02031	0.7
85.02824	21.2
86.03167	0.7
87.00749	2.4
89.02316	29.3
90.02664	0.9
95.01266	5.0
95.04903	1.8
97.02821	4.9
99.00746	4.8
101.02321	33.0
105.06975	1.6
107.04919	0.9
107.69684	0.5
108.05671	2.8
109.06467	1.2
111.04421	0.8
111.08035	0.6
113.02328	27.7
113.05971	4.0
114.02622	0.6
119.03388	11.5
119.04745	0.7
121.06494	0.9
122.03617	2.0
123.04425	0.6
123.08038	4.5
125.02311	0.8
125.05978	4.2
129.01756	1.2
130.78436	0.5
131.03392	1.6
135.08063	0.9
136.05211	3.1
137.05959	1.4
138.06772	19.3
139.07553	9.4
140.07829	0.6
143.03429	2.2
149.04491	0.7
149.06023	0.9
151.07549	20.5
152.04715	2.5
152.08334	43.7
153.09119	100.0
154.09444	4.5
159.02905	4.5
161.04462	19.8
161.05826	1.0
162.04794	0.6
163.11237	2.9
165.09131	1.8
167.07019	2.0
179.05531	3.8
187.11208	1.1
189.09149	1.0
190.02798	0.7
190.09927	1.4
205.05023	1.0
205.12276	32.3
206.12614	2.1
223.04546	1.5
223.13336	17.1
224.13672	1.5
311.54047	0.6
385.11456	1.4
385.18750	6.4
386.19278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66001	0.5
55.01756	0.8
57.03323	1.6
57.28237	0.5
58.00459	0.8
58.99477	1.4
59.01249	100.0
60.01596	0.9
63.24403	0.5
67.01743	0.6
68.99673	0.6
69.03334	3.1
71.01250	13.7
72.99180	1.8
73.02827	1.7
75.00748	5.3
78.95765	1.0
83.01263	1.5
85.02814	9.4
85.03276	0.7
87.00757	3.5
89.02319	8.5
90.56319	0.5
91.05396	1.3
93.03348	1.0
95.01283	2.1
97.02834	1.3
99.00755	3.0
101.02330	6.1
102.51306	0.5
102.98476	9.8
102.99096	0.9
105.41570	0.5
109.02864	0.6
111.00777	1.1
113.02324	10.3
113.03056	0.8
115.00215	0.8
117.01853	1.1
119.03355	2.9
123.08035	0.6
125.02348	1.1
129.01891	0.7
130.88757	0.5
134.04633	1.4
135.04408	22.7
136.04787	1.0
137.02347	1.6
141.76669	0.5
143.03423	0.7
149.02353	1.2
150.03076	0.9
151.03964	1.8
151.07625	0.7
152.08351	0.7
153.09142	0.8
157.01427	0.9
161.04494	1.1
163.00647	0.9
164.04774	0.8
165.01866	0.6
175.02391	0.7
179.03639	0.5
179.05515	0.8
185.00888	1.2
187.11240	2.2
190.02634	0.7
204.11523	1.0
205.05174	0.9
205.12260	3.2
223.04610	1.9
223.13557	0.6
231.05090	0.8
232.03685	0.9
233.11887	1.1
237.09557	0.7
247.06110	1.1
249.06134	14.4
285.04034	2.9
313.03625	0.8
349.07043	0.8
367.11609	0.7
385.11484	11.3
385.18707	0.7
386.12054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50653	1.6
55.01764	2.1
57.03314	4.0
59.01250	42.8
68.99685	3.7
69.03323	5.2
69.19724	2.1
71.01246	30.4
71.39453	3.4
72.99182	9.4
73.02820	3.9
73.97971	1.8
75.00748	7.8
83.01244	9.3
84.02046	1.9
85.02836	9.7
87.00748	31.8
89.02329	2.8
95.87344	2.0
96.99222	2.8
97.02821	2.7
99.00764	9.0
101.02347	3.5
109.02847	6.6
111.00771	4.3
112.98682	15.4
115.00245	87.4
118.95383	1.9
119.03390	2.1
121.02867	3.2
123.04429	2.9
125.02317	7.6
127.00249	3.8
128.58253	2.0
129.01843	3.0
135.02885	29.3
137.02344	18.2
142.99782	16.5
149.02258	2.8
150.03101	6.8
153.09135	4.2
156.00502	2.1
157.01358	5.2
165.01842	5.6
173.00838	7.6
174.01587	48.4
175.02394	100.0
176.02667	3.1
179.03323	3.6
183.13840	4.5
187.07555	2.0
195.13940	3.5
205.12251	5.1
211.13278	12.5
221.08128	3.4
223.04420	6.9
223.13316	16.8
224.13556	2.3
227.12837	3.8
263.12939	7.2
267.12305	15.9
307.11795	7.0
325.12759	3.9
367.13907	8.1
385.15295	39.3
386.15359	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.9
57.03310	4.6
59.01247	41.6
68.00385	1.5
68.99681	3.3
69.03322	5.4
71.01250	29.4
71.58052	2.5
72.99172	8.3
73.02806	2.7
75.00735	9.3
83.01261	7.6
83.04890	1.8
84.94887	1.4
85.02805	10.2
87.00753	31.4
89.02303	5.2
93.03336	1.7
97.02810	2.4
99.00763	9.4
101.02325	1.7
108.02052	2.1
109.02832	4.7
109.06410	1.7
111.00729	4.3
112.98672	11.9
113.02328	3.9
115.00250	85.8
116.73032	1.5
117.01854	2.1
117.89594	1.5
123.04382	3.2
125.02318	6.0
127.00266	3.3
135.02890	29.2
137.02345	14.5
142.99748	15.1
148.05199	2.7
149.02342	4.0
150.03183	2.7
153.01898	1.6
153.09084	2.8
154.16666	1.7
157.01312	6.2
161.04501	2.1
163.03908	2.3
164.01118	2.5
164.04730	3.5
165.01843	6.7
167.03392	1.9
173.00838	6.6
174.01616	47.6
175.02391	100.0
176.02725	3.5
179.03409	4.1
183.13806	7.0
190.02635	2.6
195.13853	2.9
198.20511	1.6
205.05011	4.5
205.12285	4.2
211.13222	10.7
213.10356	2.5
223.04366	7.9
223.13373	19.4
224.13754	1.8
251.12933	1.8
263.12906	4.2
267.12344	12.1
279.12320	1.8
288.06363	1.7
307.11865	4.2
325.12915	4.7
329.80194	1.5
352.05997	1.6
367.14047	9.4
385.15182	40.6
385.60208	1.6
386.15179	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	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.7
57.03319	6.8
59.01253	14.9
61.98689	2.5
68.51877	1.9
69.03323	4.0
69.61508	4.1
69.61909	13.3
71.01251	14.2
72.99181	13.0
73.02819	3.3
75.00736	3.5
83.01257	13.1
83.04884	4.3
85.02806	11.7
87.00731	4.1
89.02311	7.0
93.03328	3.6
97.02848	2.1
99.00753	12.9
101.02320	4.3
104.92893	2.1
107.04874	2.8
108.02070	2.3
109.02814	7.3
111.00777	4.6
112.98697	26.4
113.02348	3.3
115.00275	5.3
119.03435	2.4
119.04895	1.9
121.02837	6.7
122.03610	5.6
124.01575	3.4
124.98699	3.6
125.02358	13.1
129.01836	4.2
137.02341	80.8
138.02914	2.4
142.99759	35.0
149.02310	7.3
150.03146	10.0
151.03856	2.7
153.09103	3.9
156.00484	3.2
161.02289	5.0
164.01048	4.8
164.04663	2.7
165.01854	35.8
166.02322	2.4
167.03404	4.2
173.00829	17.1
174.01608	100.0
175.02208	9.1
179.03439	3.2
183.13803	4.9
185.11787	2.1
189.12766	2.1
190.02562	2.3
195.13841	3.3
201.05507	2.5
205.03389	3.2
205.05096	3.8
205.12247	7.8
206.05588	2.4
211.13321	26.4
219.13756	3.1
223.04430	11.4
223.13332	24.7
225.14838	3.0
233.11635	3.0
237.11252	2.5
237.14955	4.4
240.33139	2.0
263.12878	8.0
267.12357	18.4
269.04456	3.1
279.12283	3.5
281.13617	2.7
287.05640	5.6
288.06390	9.5
307.11880	10.4
325.12878	4.3
367.13968	31.0
385.08640	3.4
385.12857	26.4
385.26297	3.5
386.13593	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69072	0.5
55.25340	0.6
57.03308	0.8
59.01249	100.0
60.01583	0.9
66.69880	0.5
67.08419	0.5
69.03328	2.2
71.01254	2.6
73.02824	1.2
85.02831	2.2
85.58763	0.6
87.00756	0.8
88.88669	0.6
89.02323	1.9
97.02856	0.8
99.00806	0.8
101.02328	2.1
113.02335	1.5
119.03360	0.6
121.02898	0.6
125.02373	0.9
137.02412	0.6
151.00241	0.8
153.01833	1.6
156.65880	0.6
161.03384	0.7
181.01344	1.6
185.00847	1.9
223.04654	2.3
284.03186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28783	0.5
55.68166	0.5
57.03318	0.6
59.01252	100.0
60.01580	1.1
69.03332	2.7
69.69657	0.5
71.01244	2.9
73.02819	0.6
83.01260	0.9
85.02827	3.4
89.02333	2.4
96.98385	0.6
99.00754	1.5
101.02342	2.1
107.27743	0.5
113.02349	1.1
125.02374	0.7
128.90570	0.5
129.01833	0.6
137.02377	1.6
143.44762	0.5
151.00294	0.7
151.21329	0.6
153.01859	2.0
153.09119	0.8
157.19310	0.6
174.01773	0.8
181.01390	1.5
185.00870	2.2
205.03510	1.0
223.04593	2.6
325.03625	0.6
385.07748	0.7
385.18649	0.7
386.12030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1292
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.25312	1.3
56.18569	1.3
57.03317	11.6
58.87582	1.3
59.01245	27.0
69.03326	5.9
69.38940	11.1
70.19187	1.4
71.01252	12.4
72.99202	1.6
73.02812	2.2
73.09189	1.3
75.00756	4.1
77.03835	1.7
79.73289	1.3
80.29185	1.3
81.03333	5.7
83.01247	11.9
83.04903	1.5
85.02810	13.4
87.00753	4.2
89.02317	6.7
93.03345	4.3
93.85409	1.4
95.01250	1.7
95.04922	5.0
97.02816	8.9
99.00743	2.8
99.04401	5.0
101.02316	6.2
107.04897	2.6
108.02040	5.8
109.02845	7.2
111.00764	3.5
113.02325	5.7
121.02841	5.7
122.03630	3.8
123.04391	4.2
124.01546	2.4
125.02328	60.3
126.02705	3.1
129.01839	2.7
133.02818	2.1
135.02878	6.4
135.04424	4.9
137.02333	100.0
138.02995	2.8
139.03893	4.2
146.03636	17.5
147.04410	2.3
148.05147	2.1
149.02335	3.3
149.06081	1.9
150.03113	5.9
151.03886	6.4
151.07504	1.5
152.01010	7.1
152.08362	1.9
153.01830	5.1
153.09111	4.7
158.36017	1.5
159.04419	5.3
160.05127	1.7
161.02342	2.0
161.05928	2.5
161.09572	1.4
162.03203	1.4
163.03983	1.5
163.07602	2.1
164.01051	21.1
164.04776	2.2
165.01833	64.9
166.02312	1.9
167.03400	31.2
172.05264	5.3
173.05963	13.4
174.01711	1.5
174.03157	7.2
174.06746	5.5
175.03918	5.7
175.07552	31.7
176.04692	9.1
177.01826	10.8
179.03426	18.8
179.10674	2.8
181.01352	1.9
185.06018	2.5
187.03972	4.8
187.07558	10.1
189.05487	1.9
189.09103	3.5
190.02644	5.4
191.03362	3.7
191.07027	2.0
197.69690	1.3
199.07581	2.7
200.04733	6.0
201.05452	4.9
201.09155	6.4
202.06209	3.2
203.03679	1.7
203.07079	16.4
203.10863	1.6
204.04222	2.8
204.07425	1.6
205.03296	1.8
205.04970	4.8
205.08667	6.9
205.12306	2.0
211.07538	2.0
213.09201	1.7
215.07028	2.6
216.07912	2.0
217.05185	1.7
217.08615	15.6
223.04376	9.5
223.13321	9.6
224.04877	2.0
224.08028	1.4
225.05516	3.8
226.06342	3.9
227.07077	2.0
229.08641	30.3
230.09039	1.9
237.09203	2.0
239.07126	2.4
239.10725	3.2
240.07892	1.7
241.08643	4.0
244.07224	2.5
247.06129	1.6
247.07268	1.7
247.09660	14.2
251.06998	1.4
252.07822	2.8
254.05788	1.6
255.10283	5.5
257.11871	3.3
267.12424	3.5
268.07425	4.6
269.04645	2.1
269.07745	1.9
272.06662	1.5
279.10126	1.4
281.11768	6.7
283.09805	6.0
288.06329	3.2
294.08948	2.6
297.11423	4.5
299.12857	6.3
301.11115	2.2
323.12848	23.6
324.13150	3.4
325.10562	2.0
341.10394	1.9
341.13937	2.8
367.11826	53.6
368.12201	5.3
385.08026	2.0
385.12869	34.5
386.12949	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	385.1289
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
50.94320	0.4
54.35170	0.4
55.01740	0.5
57.03317	0.5
59.01249	4.4
65.00191	4.0
66.76146	0.5
71.01257	1.5
71.58144	0.7
77.03824	2.2
79.01752	5.9
83.01255	1.1
85.02820	3.2
88.21658	0.5
89.02306	1.0
97.02846	2.7
100.86659	0.4
101.02303	1.0
101.32621	0.5
107.04884	0.8
108.02043	1.0
109.02819	0.6
111.00737	1.2
113.02324	0.6
121.02837	12.2
123.00755	0.7
123.08038	0.7
125.05988	3.7
129.01782	0.7
131.04863	1.1
134.03644	0.8
135.00760	1.2
135.04376	3.4
136.01561	3.3
136.04735	1.1
136.07599	1.1
137.02332	1.3
149.02374	1.2
149.05992	3.2
150.03139	1.9
153.09082	0.5
153.30974	0.4
161.04584	0.5
163.00230	5.9
164.01065	6.6
164.04759	0.6
165.01836	32.1
166.02443	1.6
167.07042	1.4
173.06003	2.3
175.03915	0.9
177.01837	10.2
178.02577	1.9
179.03389	1.7
183.02895	3.0
183.13721	0.5
191.03268	0.5
191.07063	1.6
193.12302	0.6
205.03433	0.9
210.01662	1.9
211.13338	4.9
217.04971	7.2
218.05328	0.7
223.04488	2.7
231.06705	0.6
232.00075	0.4
235.06081	4.1
271.05988	2.4
285.04410	0.9
285.07718	2.7
299.05582	13.0
300.06366	12.9
301.06870	0.9
313.07202	4.8
314.07935	1.6
315.08698	4.4
325.07480	1.1
332.05353	4.3
341.10571	0.8
346.06857	2.4
347.07178	0.5
352.09430	1.0
367.11786	2.9
370.10507	3.6
385.12933	100.0
386.13266	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	5.8
59.01495	1.1
59.18468	1.1
59.60924	1.0
60.10814	1.1
61.91524	1.1
71.01247	4.6
72.99176	3.6
73.02811	5.6
75.00748	4.4
83.01257	6.0
85.02831	11.4
87.00757	7.7
98.19762	2.7
99.00748	1.8
101.02326	2.0
102.17610	1.0
111.00738	1.4
113.99508	2.8
115.00247	13.5
127.00317	1.4
147.72697	1.3
149.02348	3.6
158.43971	1.1
164.04727	5.2
170.02008	1.1
174.01620	100.0
175.02370	10.0
178.06256	1.8
179.07051	2.8
190.02623	2.8
193.01360	1.8
205.04988	3.7
207.06453	1.9
208.03716	4.9
209.08112	6.5
223.06232	8.5
232.03818	1.5
239.09212	3.9
247.06067	3.1
251.09303	1.5
265.07095	2.7
267.08783	5.0
295.08173	8.4
325.09265	13.6
385.11389	93.5
386.11658	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	385.1139
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
55.01755	0.5
57.03296	0.9
58.00439	0.6
59.01248	10.9
69.65414	0.3
70.11417	0.5
70.11828	1.1
71.01251	5.4
72.99170	1.0
73.02831	0.3
77.19636	0.3
83.01235	0.6
85.02821	5.1
87.00723	0.5
89.02314	4.5
91.01759	1.2
93.03299	0.6
95.01241	0.6
95.48621	0.3
98.20451	0.5
101.02323	2.3
111.00748	1.4
113.02321	1.9
113.46495	0.3
119.01273	4.5
119.03358	1.6
121.02864	1.6
129.01840	1.5
133.85007	0.3
134.03568	0.4
135.04398	1.2
137.02237	0.4
139.99474	0.3
147.00772	2.0
147.04375	0.6
149.02338	12.3
150.02682	0.4
152.01054	1.4
161.02332	0.6
161.04527	0.4
162.03104	0.5
163.03900	2.0
164.04691	11.6
165.01880	1.6
167.14166	0.3
169.04968	0.6
175.00276	23.8
176.00648	1.7
179.03410	0.8
179.07051	3.8
180.07703	0.5
189.01929	0.9
190.02632	69.2
191.01761	0.3
191.03050	4.1
193.01361	3.4
194.01726	0.3
204.74037	0.3
205.04997	100.0
206.05374	6.4
207.02982	0.4
208.03693	7.7
209.04010	0.4
217.01401	0.7
221.08128	2.1
223.06137	31.3
224.06412	2.0
232.03790	1.0
247.06094	4.6
248.06624	0.3
253.87772	0.3
265.07205	2.7
295.08347	1.0
325.09229	1.6
326.10129	0.3
385.11414	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14393	0.7
53.87085	0.7
56.33775	0.7
57.03321	1.4
58.00470	1.0
58.04057	0.6
59.01249	14.1
59.62371	0.6
68.30154	0.7
69.03310	0.8
71.01247	7.6
71.17251	0.8
71.17578	1.1
72.99169	0.9
83.01247	1.6
85.02821	7.9
87.00750	1.0
89.00145	0.6
89.02325	5.4
91.01773	1.2
91.59644	0.7
93.03331	1.0
95.01277	1.0
101.02305	4.2
109.02793	1.4
111.00771	1.9
113.02335	3.1
119.01263	4.6
119.03424	1.8
121.02822	1.7
129.01788	1.8
135.04434	2.3
137.02296	0.9
147.00809	2.5
149.02338	18.8
150.06763	0.8
152.00993	2.0
153.01781	0.9
161.02341	1.4
162.03123	1.2
163.03900	1.8
164.04678	16.8
165.01831	2.2
169.04951	1.0
174.01663	1.1
175.00272	33.1
176.00578	1.2
179.03459	1.3
179.06998	5.0
180.07779	1.7
181.08562	0.8
189.01826	0.8
190.02632	86.0
191.03072	3.1
193.01375	5.9
196.67757	0.8
205.04990	100.0
206.05385	5.7
208.03696	12.1
221.08087	1.4
223.06120	35.3
224.06393	2.5
225.11244	1.2
232.03706	1.3
242.83441	0.9
247.06064	6.4
265.07193	4.1
295.08356	1.0
319.27917	0.8
325.09189	1.3
385.11331	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	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.2
59.01246	28.2
69.03332	2.4
71.01250	18.2
71.45142	1.6
72.99191	3.2
73.02819	1.9
75.00735	2.1
83.01274	2.4
85.02824	17.1
87.00769	2.7
89.02312	13.7
89.02832	1.3
91.01762	1.4
93.03351	3.9
95.01276	1.8
97.02821	1.3
99.00769	1.2
101.02332	11.0
109.02827	1.6
111.00777	3.5
113.02319	10.0
115.00212	1.7
115.37046	1.1
119.01261	3.7
119.03392	4.0
121.02824	8.7
129.01843	3.5
134.03656	1.6
135.04433	7.8
137.02371	1.8
137.23758	1.0
139.03914	1.3
145.02831	1.9
147.00789	2.8
147.04530	1.2
149.02344	58.4
150.02687	1.7
152.01048	5.1
161.02370	3.0
162.03168	2.2
163.03915	12.1
164.04700	64.1
165.01865	4.1
165.05197	3.5
167.03465	2.1
169.04956	2.5
173.04518	2.2
174.01619	10.7
174.98766	1.7
175.00290	29.8
175.02414	1.9
176.00653	2.2
177.05412	5.3
178.06253	3.0
179.03477	3.1
179.07054	20.3
180.07668	1.8
189.01807	5.4
190.02646	97.1
191.03323	14.0
191.05505	7.7
192.03835	1.2
193.01367	13.2
203.03485	1.1
204.04219	4.1
205.05000	98.5
206.05731	24.8
207.02921	2.8
207.06224	1.6
208.03712	28.9
209.04088	1.3
217.01384	15.1
218.01746	1.4
219.06569	2.5
221.08127	21.7
222.05270	1.4
223.06119	86.2
224.06418	4.2
232.03722	33.4
233.04164	2.3
233.08055	1.5
237.05559	1.1
237.07602	6.2
247.06087	100.0
248.06491	7.6
250.04816	3.3
265.07172	20.3
266.07626	1.4
277.07208	1.6
295.08170	1.9
325.09351	4.0
385.11368	15.5
386.11514	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0929
Annotation	Melisimplexin
Peak:m/z	Relative Intensity
57.03310	1.8
59.01248	8.5
69.03325	10.3
69.33860	2.5
69.34285	2.8
71.01257	4.8
72.99168	0.9
73.02806	0.8
74.02351	0.7
83.01258	2.8
83.64132	0.5
85.02817	4.7
86.14126	0.5
87.00694	0.8
89.02326	2.6
93.03322	1.8
95.01250	0.6
95.04904	0.9
96.95899	0.6
97.02821	3.7
99.00742	3.6
99.04373	0.7
101.02307	2.1
101.66290	0.5
108.02024	0.9
109.02814	3.4
111.00735	1.9
113.02309	2.1
116.53477	0.6
119.03378	1.1
121.02845	3.2
122.03639	0.7
123.04372	0.9
125.02328	6.7
129.01793	1.1
131.01224	0.8
133.02831	3.0
135.02850	1.0
135.04385	1.2
137.02344	15.5
139.03973	0.9
141.01826	0.9
146.03595	0.7
147.00717	0.8
149.02278	3.2
150.03166	3.6
151.00272	0.9
151.03922	1.0
152.01031	1.1
153.01814	1.7
153.09096	1.6
159.04391	1.0
160.01538	0.8
161.02274	1.4
162.02954	0.8
163.03862	0.7
164.01024	1.7
164.04655	1.4
165.01823	13.2
167.03380	1.3
172.05205	1.1
173.05923	1.0
174.01602	1.2
174.03058	1.3
175.00223	2.6
175.03903	1.6
175.07536	1.7
176.00842	0.9
177.09053	0.6
179.03401	1.2
179.10690	0.6
185.00839	6.4
187.03806	0.8
187.07515	1.0
189.01785	1.5
190.02577	2.4
191.03348	0.9
193.01225	0.8
199.07462	0.7
200.01009	2.6
200.04520	0.6
201.01843	3.4
201.05475	0.8
201.09129	2.0
203.07010	1.3
203.58694	0.5
205.03357	1.4
205.04988	1.4
205.12151	0.7
206.05650	0.9
209.05994	1.1
214.99661	0.8
215.03438	1.1
217.08562	1.6
218.09398	0.7
219.10161	1.6
223.04436	5.7
223.06183	0.9
223.13365	1.2
225.05591	1.2
229.08618	1.3
236.04787	0.8
237.05354	0.9
239.03304	0.6
240.04240	0.7
241.04973	1.8
243.06575	2.7
247.06042	1.1
247.09825	2.6
251.03325	1.3
253.04982	3.0
253.07285	0.6
259.06033	0.8
263.03607	0.6
264.04376	0.9
265.04813	1.1
265.07236	0.8
267.02954	0.8
267.12131	0.6
269.04492	0.9
271.06036	3.4
279.03156	0.8
280.03665	1.0
281.04395	2.2
284.03180	1.3
285.03952	2.3
292.03827	0.7
296.53027	0.6
297.04117	0.9
298.04721	1.2
299.05627	6.2
299.12726	0.6
308.03217	3.1
309.04007	23.2
310.04333	2.5
313.03427	3.1
324.02618	2.2
325.09494	0.8
327.05109	8.5
337.09824	0.7
339.08685	1.5
341.10123	1.5
349.07120	2.3
360.85355	0.6
367.08096	7.1
367.11948	2.2
368.08606	1.1
385.09177	100.0
386.04840	0.9
386.09595	10.9
386.14450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.5
57.03325	6.8
59.01249	3.1
70.57175	0.9
70.57510	1.7
71.01241	4.2
72.99156	1.5
75.00756	2.2
83.01253	5.2
84.02068	1.5
85.02820	46.4
86.03163	1.3
87.00732	1.9
99.00544	0.9
101.02328	6.3
103.00271	1.0
111.00761	23.2
129.01834	12.9
135.04431	2.0
147.02898	3.9
161.04428	1.6
187.02397	2.0
191.05489	1.5
205.03456	24.8
223.04541	100.0
224.04869	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	385.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03080	1.0
57.03323	12.1
59.01236	5.8
65.54128	0.7
67.01771	0.9
70.57609	2.0
71.01249	6.8
72.99174	2.5
73.02814	2.5
75.00727	4.1
76.47330	0.9
81.03317	2.4
83.01251	7.5
84.02041	1.9
85.02817	59.3
86.03114	1.1
87.00742	3.6
93.03323	1.6
101.02306	7.7
103.00235	1.5
103.03874	1.1
111.00755	31.9
112.01127	1.3
113.50791	1.0
122.03650	0.8
123.04404	1.4
125.02318	1.9
129.01810	18.7
133.04939	1.3
135.04399	4.4
136.01544	1.4
142.00392	0.9
143.03348	1.2
147.02896	4.0
148.70482	0.9
149.05942	1.3
151.03781	1.2
161.04416	1.6
167.03365	1.3
170.20381	0.8
173.04489	2.2
179.03346	1.0
185.95895	0.9
187.02361	2.0
191.01750	1.0
191.05469	4.6
205.03471	27.2
206.03812	1.0
211.05922	1.5
223.04523	100.0
224.04829	3.6
232.27267	0.8
275.47144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78775	0.7
55.01754	3.5
57.03323	12.5
59.01244	6.3
66.15545	0.8
68.99674	1.1
71.01259	7.0
71.06087	1.6
72.99162	1.7
73.02827	1.4
73.66225	0.7
75.00752	3.3
83.01260	5.3
84.02031	1.9
85.02821	69.7
86.03130	1.7
87.00734	3.0
90.58190	0.7
99.00766	0.8
101.02326	8.6
103.03883	0.8
111.00762	33.1
117.85779	0.7
129.01837	22.5
135.04428	4.3
147.02908	4.8
161.02335	1.2
161.04489	2.2
174.01631	1.7
179.03426	2.0
187.02419	2.1
191.01897	1.9
191.05560	1.7
205.03462	30.7
205.05396	1.5
206.03806	1.1
209.02921	1.0
223.04538	100.0
224.04858	2.7
385.11456	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01739	1.4
57.03318	6.1
59.00982	0.4
59.01248	3.3
68.99664	0.6
71.01253	4.6
71.06900	0.8
72.99157	1.2
73.02787	1.3
75.00745	1.9
83.01242	3.3
84.02035	0.9
85.02820	34.1
86.03123	0.8
87.00727	1.7
89.02278	0.3
91.04877	0.3
93.03327	0.4
101.02324	4.3
103.00241	0.6
103.03857	0.4
111.00760	15.0
112.01051	0.4
113.02274	0.5
115.00249	0.8
125.28651	0.3
129.01826	17.8
129.55066	0.3
130.02112	0.4
135.04413	1.7
147.02887	2.0
149.02338	2.5
161.02315	0.4
161.04439	1.1
164.04721	1.9
173.00714	0.5
173.04424	0.6
174.01602	7.1
175.00201	0.5
175.02327	1.0
175.18831	0.4
179.03319	1.0
179.06975	1.1
187.02303	1.1
190.02617	1.9
191.01849	0.6
191.05499	0.8
193.01306	0.8
205.03438	19.8
205.04980	1.4
206.03807	0.7
206.05698	0.4
208.03682	0.9
209.02991	1.0
217.01436	0.4
221.08150	0.4
223.04503	100.0
224.04794	3.1
247.06036	2.7
265.07053	0.7
267.08630	0.4
295.08240	0.6
325.09338	1.5
369.58936	0.4
385.11386	11.6
386.11612	1.2
391.36102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	4.2
57.03321	18.8
59.01236	8.2
69.72854	6.6
69.73268	2.4
71.01252	12.2
72.99165	4.7
73.02808	4.0
73.24845	1.3
75.00726	6.2
83.01248	10.0
84.02028	4.0
85.02819	100.0
87.00760	3.6
89.69830	1.6
92.81843	1.4
101.02326	11.6
111.00752	37.7
119.02274	1.7
129.01816	25.1
134.03632	1.5
135.04405	5.3
147.02867	5.0
187.02373	2.3
191.01868	1.9
205.03467	29.9
206.03806	2.2
223.04530	82.4
224.04773	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	383.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65422	0.5
57.03300	1.0
58.41493	0.6
58.68561	0.5
59.01248	7.7
59.41714	0.5
71.01241	2.8
72.08814	0.5
83.01255	0.9
84.50498	0.5
85.02795	1.0
87.00735	0.6
89.02308	2.4
91.03884	2.2
95.04902	0.9
97.06467	1.7
98.20599	0.9
101.02316	1.3
113.02328	1.2
113.09599	1.8
115.07535	1.1
119.03401	0.5
121.02834	1.1
124.78876	0.5
125.02332	0.5
125.05967	1.3
133.02809	0.6
141.09126	1.2
160.01576	0.8
161.04361	0.8
165.12766	3.1
167.10774	0.6
167.14310	1.9
179.05583	0.8
181.12260	2.8
183.13826	1.1
183.73576	0.5
188.00998	1.5
193.12267	1.8
195.13800	3.4
211.13347	2.5
221.15393	2.1
229.42270	0.8
239.12758	0.5
241.04997	0.7
241.14412	0.9
247.20692	4.4
253.05072	0.6
263.20139	0.7
265.21649	0.8
268.63651	0.6
269.04388	0.7
273.18607	2.3
276.39322	0.5
281.21042	1.0
286.04816	1.3
291.19656	37.8
292.19940	3.0
295.57465	0.6
297.03799	1.7
297.06320	1.0
298.04837	1.6
299.07321	1.0
309.20688	100.0
310.21036	9.4
314.17230	1.5
323.09436	1.4
341.11105	0.7
348.30035	0.6
351.08569	1.6
368.08994	5.6
369.09567	0.7
383.11340	10.6
383.24490	5.3
384.11710	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	383.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72670	0.8
57.03312	1.2
58.00469	1.2
59.00948	1.0
59.01250	19.1
69.03336	2.5
69.36995	6.1
69.37403	1.8
71.01260	7.0
73.02831	1.6
83.01215	1.0
83.04905	1.7
85.02821	2.0
87.00768	2.0
89.02312	8.9
91.03883	21.7
93.06954	1.1
101.02321	3.1
103.76433	0.9
111.08038	36.6
112.08406	1.2
113.02322	2.5
119.03440	1.1
127.07506	1.7
135.08110	1.0
139.11224	1.0
140.85687	0.9
151.11226	1.4
153.09073	1.1
153.12737	2.5
161.04430	1.9
163.11206	1.1
166.25349	1.0
169.12238	5.8
171.10149	1.1
179.05522	1.6
179.10638	1.0
181.12268	2.3
183.13774	2.4
197.11760	100.0
198.12070	5.0
199.13313	7.4
211.13350	7.9
214.88142	0.9
227.12881	5.2
247.20663	1.1
263.20172	11.4
265.18124	5.0
273.18558	2.0
273.45062	1.1
285.04150	1.1
291.19656	48.6
292.19916	4.8
298.04642	1.1
309.20694	89.6
310.21033	7.6
323.09756	1.8
341.10690	1.7
383.11407	4.1
383.24258	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62299	1.0
55.01764	1.5
57.03326	1.8
58.00451	2.2
59.01247	20.3
62.13118	1.0
69.03336	2.2
71.01259	5.6
71.35026	1.4
71.35357	1.1
73.02826	2.3
82.10668	0.9
83.01273	1.3
83.04900	1.3
84.59936	1.1
85.02809	2.7
87.00751	2.2
89.02322	7.1
91.03881	16.7
97.02827	1.7
97.06445	1.2
101.02306	2.2
109.02828	1.4
109.06464	1.6
111.08038	42.3
113.02295	3.6
119.03402	1.7
121.02837	3.6
135.04396	4.7
137.09621	2.6
137.15019	1.0
138.48340	1.1
149.02328	2.3
160.01544	4.2
161.02324	1.3
161.04478	1.4
165.12738	2.3
169.12254	5.8
171.10130	4.1
171.89005	1.0
181.12253	2.0
183.13815	3.0
187.49583	1.1
188.01059	21.5
189.01704	3.7
197.11757	90.1
198.12119	4.9
199.13329	6.4
203.07074	1.8
211.13420	5.7
225.05424	3.0
226.06398	1.4
227.12888	10.5
241.05048	2.8
247.20683	2.7
253.04997	5.0
263.20151	5.4
265.18057	4.0
269.04510	3.6
269.08539	1.2
270.01520	1.4
273.18610	3.1
285.03912	1.5
286.04831	1.6
291.19666	55.3
292.19919	4.5
297.04050	21.7
298.04727	15.9
309.20697	100.0
310.21011	8.3
325.03418	6.7
325.07040	2.4
341.10837	4.0
351.08725	1.5
368.08951	55.9
369.09283	6.9
371.25266	1.3
383.11261	78.8
383.14758	4.5
384.11624	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	383.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.5
59.01244	10.7
69.03325	1.7
71.01245	30.5
71.57012	1.9
72.01597	1.2
72.99216	2.4
73.02794	1.9
75.00742	8.9
79.93241	1.3
81.03330	1.4
83.01251	1.9
85.02809	11.4
87.00747	14.4
89.02306	10.9
94.64902	1.2
95.01249	2.0
99.00750	3.2
103.00239	1.3
113.02311	11.7
115.00195	1.4
117.01821	1.6
118.90125	1.2
133.04950	100.0
134.05295	2.9
162.27136	1.1
175.02376	1.7
191.05548	3.0
231.04866	1.3
249.06111	84.2
250.06468	4.5
267.07214	4.4
295.73709	1.1
333.61780	1.4
360.56088	1.3
369.49380	1.2
383.11902	42.2
384.12048	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51550	0.4
57.03315	1.1
59.01252	7.6
61.98708	0.7
69.03323	0.6
71.01242	3.2
71.39005	0.5
71.39342	0.7
73.02814	0.7
83.01253	0.5
85.02822	1.4
86.99647	0.5
87.00758	1.3
89.02322	2.7
91.03880	2.3
95.04915	0.4
97.02827	0.6
97.06466	1.5
99.08002	0.5
101.02324	1.6
104.44317	0.5
109.06521	0.5
111.08044	2.4
113.02305	1.3
113.09616	1.9
115.07540	1.8
119.03371	0.6
121.02792	0.5
121.06449	0.4
125.05962	0.6
127.07431	0.5
133.02847	0.7
139.11205	0.5
141.09077	1.0
154.09808	0.5
163.11186	0.5
165.12790	2.6
167.10680	0.5
167.14275	1.6
169.12224	0.5
179.05487	0.8
179.14235	0.8
181.12244	3.0
183.13924	1.0
193.12276	1.7
193.15878	0.9
195.13802	1.8
197.11789	3.2
199.13455	0.4
211.13295	3.3
213.14899	0.9
221.15393	2.9
229.14380	1.0
240.13652	1.1
241.14581	0.6
247.20668	4.4
248.21010	0.6
255.16229	0.5
263.20135	0.9
273.18600	2.7
281.21213	1.8
281.30713	0.5
287.81345	0.5
290.58060	0.5
291.19659	40.2
292.19962	2.5
298.04843	0.5
309.20700	100.0
310.21054	7.6
314.17285	0.9
323.09708	0.7
325.03433	2.6
341.10751	1.5
368.08896	2.0
383.11353	4.5
383.24265	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	0.9
59.01246	7.7
60.63839	0.4
68.99677	1.4
69.03324	1.0
70.97014	1.2
71.01251	16.3
72.99183	1.9
73.02806	1.4
73.16148	0.6
75.00739	7.5
75.99633	0.5
81.03356	0.5
83.01248	1.1
85.02821	12.2
87.00738	11.1
87.04390	1.1
89.02307	10.8
91.03853	1.2
93.03312	1.0
95.01254	3.2
99.00742	4.1
101.02302	1.0
103.00246	1.0
111.00735	1.3
113.02324	13.3
115.00220	0.9
117.01826	2.2
129.01822	2.3
133.02838	2.1
133.04951	100.0
134.05299	2.4
157.01315	1.0
167.11885	0.5
175.02452	1.3
180.48294	0.6
189.03993	0.7
191.05618	0.7
205.03404	0.8
231.05096	1.7
249.06119	74.5
250.06523	4.0
258.87439	0.6
267.07224	3.0
339.09280	1.1
341.11423	0.6
383.11905	30.6
384.12283	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1137
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
57.00002	0.3
57.55741	0.4
58.57448	0.3
59.01252	3.1
62.13377	0.3
66.10899	0.3
69.27200	0.7
69.27602	2.9
70.79875	0.4
71.01237	1.3
72.99165	0.4
73.02807	0.4
79.01774	0.7
83.01291	0.3
85.02810	1.5
89.02306	0.5
93.03355	0.7
95.01255	0.4
96.95899	0.4
99.00742	0.5
101.02326	0.4
108.02043	0.6
109.02855	0.4
110.51366	0.4
112.95092	0.4
113.02296	0.8
121.02835	1.2
133.02832	0.4
137.02335	1.2
147.00706	0.3
148.01547	3.7
149.02315	1.5
150.03055	0.6
160.01549	3.0
161.02327	0.7
163.00206	0.7
165.01846	1.2
167.03322	0.4
167.47566	0.3
172.05153	0.5
172.58675	0.4
181.06569	0.4
188.01085	11.7
189.01747	2.3
190.02609	1.1
197.06001	1.5
209.05942	0.6
211.03957	0.4
213.05423	1.3
214.06279	1.0
215.03416	0.7
217.04990	0.4
217.24553	0.3
225.05585	4.1
226.06235	1.5
227.03535	0.9
228.04118	0.4
239.03343	0.4
241.05011	7.6
242.05743	0.8
251.03499	0.3
252.04227	0.4
253.05060	5.2
254.05728	0.8
255.02954	0.9
258.11050	0.4
268.03915	1.0
269.04547	8.4
270.05261	2.3
280.03708	0.6
281.04599	1.7
283.02414	0.7
283.06036	0.7
296.03238	1.9
297.04041	17.5
298.04803	74.1
299.05194	6.2
305.07974	0.5
309.03958	0.5
311.05640	1.3
312.06317	3.8
313.07153	9.0
313.10522	0.7
314.07513	0.9
344.05295	7.2
349.07019	1.8
349.70782	0.4
350.07935	5.8
351.08447	0.5
365.10132	2.3
368.08972	12.1
369.09329	1.1
383.11328	100.0
384.11676	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	383.1133
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
59.01252	1.5
65.00188	0.3
69.42470	2.6
71.01258	0.7
72.99152	0.3
74.60060	0.3
74.62242	0.3
79.01763	0.5
85.02813	0.8
90.27780	0.3
93.03340	0.4
98.19759	0.5
103.75024	0.3
105.03336	0.6
108.02088	0.3
109.02820	0.3
111.61586	0.3
113.02316	0.5
121.02847	1.8
133.02821	0.8
136.01543	0.3
137.02322	0.8
145.02803	0.4
148.01549	3.5
149.02368	1.6
150.03117	0.3
160.01561	2.6
161.02347	1.1
163.00267	0.6
165.01855	1.8
165.03017	0.3
167.03328	0.3
169.06511	0.3
172.05280	0.3
188.01070	11.8
189.01791	2.4
189.05518	0.4
190.02585	0.9
197.06055	1.6
199.03870	0.5
201.01660	0.3
209.06105	0.7
211.03903	0.9
213.05464	1.4
214.06244	0.9
221.08035	0.3
224.04735	0.7
225.05522	4.4
226.06261	1.3
227.03415	0.7
237.05466	0.4
239.03511	0.5
240.04277	0.4
241.05023	7.4
242.05693	1.0
252.04170	0.4
253.05014	5.5
254.05794	0.9
255.02979	0.7
256.03665	0.4
268.03815	1.2
269.04523	9.4
270.05200	2.8
280.03616	0.5
281.04501	1.9
283.02582	0.4
283.06097	0.5
284.06979	0.4
296.03287	2.3
297.04022	20.6
298.04791	86.2
299.05130	6.1
307.06058	0.4
309.04160	1.1
310.04718	0.5
311.05621	1.6
312.06265	3.9
313.07153	9.1
314.07385	0.5
321.07486	0.4
325.07263	0.4
335.05688	0.4
344.05356	8.1
345.05743	0.4
349.07077	1.7
350.07867	6.5
351.08600	0.8
365.10327	2.6
368.08978	14.1
369.09335	1.1
383.11331	100.0
384.11673	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	383.1137
Annotation	Dulxanthone F
Peak:m/z	Relative Intensity
59.01240	1.1
62.08330	0.3
69.28722	1.7
69.29150	1.4
73.81042	0.3
79.01794	0.4
81.55505	0.3
83.14509	0.3
85.02801	0.5
93.03342	0.6
101.02360	0.3
105.03329	0.5
108.02034	0.4
109.02829	0.4
113.02311	0.3
121.02842	1.9
122.03536	0.3
133.02863	0.6
135.00822	0.3
136.01547	0.5
137.02310	0.8
145.02864	0.4
148.01567	4.2
149.02332	0.9
160.01570	2.1
161.02298	0.9
163.00301	0.8
164.01077	0.5
165.01872	1.2
167.03426	0.5
181.06461	0.3
183.13753	0.3
188.01085	12.8
189.01857	2.6
190.02614	0.5
197.06033	1.8
199.03859	0.4
209.06128	0.8
210.06837	0.5
213.05518	0.9
214.06247	0.9
224.04726	0.5
225.05524	4.4
226.06233	1.1
227.03416	0.8
237.05640	0.5
239.03470	0.5
240.04198	0.5
241.05026	8.1
242.05621	1.2
253.05072	5.3
254.05701	1.0
255.03027	0.6
268.03693	0.8
269.04544	8.9
270.05209	2.7
280.03784	0.4
281.04550	1.5
283.02432	0.8
283.05954	0.4
284.06924	0.6
296.03265	1.8
297.00613	0.6
297.04050	18.8
298.04822	74.0
299.05145	5.0
309.04123	1.0
311.05649	1.3
312.06375	3.4
313.07162	9.1
314.07516	0.4
325.03479	0.4
333.07593	0.4
335.05707	0.6
344.05341	5.9
345.05765	0.5
349.07123	1.4
350.07925	5.8
351.08408	0.9
365.10349	1.6
366.10706	0.5
368.09000	12.4
369.09433	1.2
381.09753	0.4
383.11359	100.0
384.11713	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	383.1134
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
50.85818	0.2
55.01725	0.2
55.79277	0.2
59.01249	1.2
65.00201	0.2
65.88998	0.2
71.01236	0.3
71.45694	0.2
79.01753	0.5
85.02802	0.4
87.00741	0.3
89.02307	0.2
101.02328	0.3
105.03341	0.5
105.49368	0.2
109.02839	0.3
110.21632	0.2
113.02347	0.2
116.95331	0.2
121.02850	1.5
123.02984	0.2
133.02782	0.2
136.01505	0.4
137.02325	0.6
138.28407	0.2
141.31886	0.2
146.03755	0.3
148.01561	3.4
149.02322	1.5
150.03070	0.4
158.03586	0.2
160.01555	2.9
161.02341	0.8
161.04431	0.3
163.00230	0.8
164.01070	0.5
165.01892	1.3
167.03358	0.6
172.05215	0.4
180.86024	0.2
181.06532	0.4
183.04425	0.3
186.06732	0.3
188.01074	13.6
189.01810	2.7
190.02573	0.9
197.06001	1.4
199.03978	0.3
209.06010	0.5
211.03896	1.2
213.05498	1.5
214.06277	0.9
215.03470	0.3
224.04671	0.7
225.05519	4.4
226.02766	0.3
226.06265	1.2
227.03415	0.9
228.04106	0.3
237.05545	0.5
239.03448	0.4
241.05014	8.1
242.05696	1.6
243.02974	0.4
252.04234	0.6
253.05020	5.7
254.05751	1.5
255.02951	0.5
268.03754	0.9
269.04523	8.8
270.05234	2.7
281.04526	1.7
282.04825	0.3
283.02402	0.5
283.06192	0.4
284.06851	0.4
296.03198	2.2
297.04022	20.3
298.04791	80.5
299.05170	5.1
309.04092	0.7
309.20688	0.4
311.05652	1.6
312.06317	3.7
313.07147	8.4
314.07623	0.7
321.07642	0.6
335.05334	0.5
341.10754	0.3
344.05310	7.0
345.05539	0.6
349.07150	1.9
350.07925	6.5
351.08383	0.8
365.10239	2.5
368.08966	12.8
369.09433	1.3
383.11322	100.0
384.11679	9.4
384.16718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1132
Annotation	Oxyisocyclointegrin
Peak:m/z	Relative Intensity
50.03988	0.6
54.09912	0.5
56.40079	0.6
57.03338	0.7
59.01247	8.0
61.98687	0.6
65.25105	0.6
71.01234	2.5
71.58240	1.2
72.20446	0.6
72.99152	0.8
75.41225	0.6
78.95774	0.7
83.01254	1.2
85.02818	1.8
87.00749	0.9
89.02333	0.9
93.03345	0.9
97.06482	1.2
99.30772	0.7
101.02299	1.6
113.02317	1.8
113.03088	0.6
119.03425	1.0
121.02851	1.3
123.04436	0.7
125.02341	1.2
133.02785	1.4
135.08060	1.8
136.08337	0.7
148.01547	1.2
149.02341	1.1
167.03455	1.2
173.05986	0.9
175.00220	1.2
188.01070	3.5
189.01740	0.7
192.04277	0.7
200.01050	2.5
201.01860	2.9
225.05540	0.9
227.03500	1.0
241.05032	1.9
242.05603	0.9
253.04968	1.9
264.04190	0.8
269.04605	0.9
270.05255	0.9
281.04556	1.3
284.03168	0.8
285.03952	0.8
293.08261	0.9
297.03897	3.7
298.04834	4.4
308.03220	1.3
309.04019	48.3
309.20712	2.4
310.04425	5.4
311.05496	1.5
322.04663	0.7
323.05643	1.0
323.09344	2.7
333.07471	0.7
335.05667	0.9
336.06195	1.0
337.07092	2.9
338.07935	9.4
339.08484	1.7
341.10849	1.4
349.07156	0.9
350.08014	2.4
351.08682	20.1
352.09027	1.3
353.10358	2.2
365.10364	0.8
368.08966	44.8
369.09393	4.5
383.11337	100.0
383.24219	1.7
384.11719	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	383.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	2.8
69.42138	3.6
71.01284	1.0
83.01334	0.6
85.02862	0.5
89.02344	0.8
91.03896	1.0
101.02353	1.1
103.63842	0.4
109.02878	0.8
111.08009	2.5
113.02337	0.8
121.02884	1.2
133.02876	0.5
135.04439	0.5
145.02989	0.4
147.07965	0.5
148.01570	2.1
149.02388	1.6
160.01572	4.1
165.12823	0.6
171.10182	0.9
188.01062	26.6
189.01741	3.8
197.06023	1.0
197.11765	7.1
201.09081	0.8
211.13403	0.5
213.05553	0.4
214.06505	0.4
216.00633	0.6
225.05414	2.3
226.06207	0.6
227.12796	0.8
239.03677	0.4
240.04320	0.5
241.05037	3.1
247.20662	0.6
252.04230	0.5
253.05016	5.4
254.05595	0.6
255.02931	0.8
268.03976	0.6
269.04477	5.2
270.01855	0.8
270.05057	1.1
280.03522	0.5
281.04373	0.5
283.02673	0.5
285.03989	0.5
291.19611	4.8
296.03256	1.5
297.04016	25.2
298.04745	14.6
299.05045	0.9
309.04028	0.7
309.20682	8.5
312.06186	0.7
313.07401	0.5
323.09616	0.7
325.03500	8.5
325.06888	0.4
326.03757	0.5
330.03677	0.7
335.05548	0.7
340.09344	0.5
341.10916	0.6
350.07825	1.6
351.08508	1.5
368.08951	70.8
369.09280	8.3
383.11301	100.0
384.11624	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
60.01585	1.2
71.01244	1.3
71.57902	0.9
78.57528	0.5
78.69528	0.5
78.77819	0.5
85.69030	0.5
87.00771	0.9
89.02334	1.8
101.02308	1.1
113.02356	1.5
177.00072	0.6
186.88344	0.6
259.62262	0.6
322.27512	1.1
323.09845	0.8
325.18195	0.6
341.10980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34141	2.6
52.21908	3.0
58.00468	4.3
59.01245	48.4
69.03322	9.0
70.91402	8.8
71.01246	32.8
72.99179	8.1
73.02807	6.0
75.00745	9.1
83.01246	5.4
85.02800	15.4
87.00755	9.1
89.02338	7.5
93.03318	7.4
95.01213	4.1
96.95905	3.7
97.02834	3.6
99.00755	70.8
99.01408	4.4
101.02317	7.3
107.04957	4.6
111.00761	7.4
113.02310	11.8
115.00230	3.3
119.04934	4.5
121.02846	8.7
121.44307	3.1
123.00742	5.2
125.02290	3.7
133.02827	7.3
134.03590	5.9
135.04401	18.3
137.02309	5.5
138.03148	7.7
139.00224	4.3
141.01811	4.8
145.02861	6.6
147.04457	17.5
149.02354	11.3
151.03957	4.2
153.05487	4.4
159.02925	6.1
159.04422	10.3
161.02336	10.5
161.05965	5.0
162.03110	7.5
163.03908	15.8
164.04698	13.4
165.03983	3.5
171.04477	3.9
173.02396	16.7
173.04489	6.6
174.03070	8.1
175.03909	48.4
176.04672	7.4
177.01862	46.8
177.05421	27.1
178.02579	10.7
178.06184	18.5
179.03407	22.7
179.07042	14.1
187.03958	20.3
188.04726	30.0
189.05490	25.7
190.02605	8.0
190.06268	25.6
191.03477	28.0
191.05251	5.7
191.07018	5.3
192.04193	59.1
192.07808	9.6
193.04973	27.1
193.08630	6.7
194.05742	9.6
199.04021	8.3
200.04712	5.2
201.05539	5.1
202.02571	5.2
202.06267	4.8
203.03439	70.1
203.07039	40.5
204.04129	11.2
205.01353	12.6
205.05013	30.4
205.08630	12.8
206.05783	6.4
207.02950	6.6
207.06577	100.0
208.07175	14.6
209.08136	4.9
214.06322	9.0
216.04193	4.2
217.04976	55.7
217.08542	5.5
218.05772	50.3
219.02979	27.2
219.06483	9.7
220.03685	28.8
220.07373	12.4
221.04436	6.1
221.08173	12.6
223.06058	5.9
223.09756	6.1
224.03189	14.0
225.07539	3.7
229.05029	6.3
229.08607	7.0
231.02917	9.8
231.06779	5.0
232.07346	43.1
233.00900	4.7
233.04475	4.9
233.08134	28.2
234.01714	5.0
234.05276	29.7
235.06049	47.8
235.09766	12.1
236.06578	4.6
237.07646	12.4
245.04469	4.4
246.05229	11.0
247.09740	94.2
248.03268	11.7
248.10112	4.4
249.03941	11.2
249.07719	90.6
250.08134	4.7
251.09195	52.8
253.07201	4.0
259.09811	4.9
261.07675	49.6
263.05594	13.1
264.06296	3.8
265.07166	55.6
267.07123	6.0
277.07144	9.1
279.08737	46.5
281.06622	57.7
282.07083	4.3
291.08777	7.3
295.08282	9.5
303.08499	4.4
307.06433	3.6
309.06073	6.5
323.07687	48.5
324.08185	4.2
339.10809	13.0
383.09875	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47100	0.6
59.01247	6.9
68.21861	0.6
71.58414	0.6
77.93298	0.6
94.00839	0.6
97.13113	0.6
137.06007	0.9
151.07581	0.9
152.99466	1.8
156.19183	0.7
170.05751	3.9
174.99211	1.6
177.94252	0.7
192.11516	0.8
217.00244	9.3
233.19014	1.8
235.20616	1.4
249.18799	0.8
251.20155	3.4
277.18094	80.9
278.18512	8.1
279.19669	24.9
280.19998	2.1
295.19141	100.0
296.19476	9.7
363.25394	19.4
364.25940	3.1
381.26523	7.9
382.26941	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	76.8
69.65303	27.4
72.33267	5.0
140.20876	5.4
174.99178	22.0
210.69315	6.0
217.00243	100.0
218.00539	6.3
235.11789	5.4
311.05499	11.0
312.05746	5.6
381.09622	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.264
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83516	0.6
53.30799	0.6
54.68828	0.7
58.39640	0.6
59.01243	5.2
62.34341	0.5
69.93792	1.8
69.94186	1.2
88.17004	0.7
95.63476	0.9
109.50359	0.6
119.25738	0.6
138.06709	0.8
145.07710	0.6
152.99483	1.1
153.12706	2.6
154.94438	0.6
163.11153	0.8
165.12782	4.1
169.12131	0.7
170.05716	3.6
174.99107	0.7
179.10704	11.9
180.10989	1.0
181.12241	36.8
182.12575	2.8
195.10182	2.3
197.11682	1.4
199.13309	100.0
200.13667	5.8
214.45844	0.7
215.12805	4.1
217.00218	7.5
235.11777	0.7
363.25461	4.8
381.26724	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	381.1918
Annotation	Viguilenin
Peak:m/z	Relative Intensity
52.86377	0.7
58.00477	0.8
59.01250	6.8
69.03312	3.1
70.08219	2.9
71.01250	2.7
73.02809	1.3
73.49334	0.7
75.69267	0.7
80.33992	0.8
83.01239	1.3
83.04881	0.8
85.02816	2.5
87.05242	0.9
93.03368	1.3
96.95911	0.9
97.02808	0.9
99.00755	2.5
99.26170	0.8
101.02318	1.1
111.00787	3.9
113.02330	1.2
113.05973	0.9
115.00239	0.8
127.00266	11.9
129.01826	0.9
131.07030	0.9
135.04480	1.0
137.09625	2.7
140.68526	0.8
163.03883	0.8
164.04570	0.7
173.04483	2.4
175.03891	1.3
191.05544	2.1
193.05019	1.3
219.06635	1.9
245.19189	1.2
273.18558	1.3
275.20013	1.2
309.20584	1.1
319.19165	0.9
335.18829	1.1
337.20215	31.4
338.20621	2.5
339.56760	0.9
381.19186	100.0
382.19632	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	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92564	0.5
59.01251	100.0
60.01601	0.8
66.95041	0.5
70.66023	0.6
71.01254	1.5
85.02807	0.7
98.20605	0.8
113.02322	0.6
134.90895	0.5
148.98790	0.5
224.12503	0.6
232.80463	0.6
284.12961	0.5
347.08432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0978
Annotation	Lisetin
Peak:m/z	Relative Intensity
56.59070	0.6
57.03313	1.8
59.01248	5.6
63.02266	1.1
64.56718	0.5
65.00188	5.4
66.58972	0.5
71.01228	0.9
71.59222	0.9
78.21957	0.5
83.01257	3.9
96.95877	1.8
107.01275	7.7
123.04385	1.9
124.01548	1.2
125.02326	8.9
125.05900	0.6
151.00275	22.9
152.00746	0.9
159.04417	0.9
161.02354	5.2
165.01883	1.7
167.03392	2.7
169.01265	1.0
171.04393	0.9
172.05180	3.3
175.03931	2.2
177.01804	0.6
177.12737	2.3
183.04422	1.2
185.06042	2.7
186.06725	1.0
187.03922	2.2
188.04626	1.1
196.05229	1.7
199.03896	0.9
200.04688	2.3
200.08409	0.7
201.09129	5.3
210.06749	0.6
211.03792	0.5
211.07558	3.0
213.05486	0.8
215.03426	0.8
224.04706	4.5
225.05356	0.6
226.02628	0.9
227.03413	2.3
227.07076	1.2
229.08644	8.7
237.05551	1.4
238.06316	1.1
240.04195	0.6
241.05116	0.7
248.04863	0.7
249.05579	1.4
253.04999	0.7
253.08722	1.0
255.02994	12.7
255.06602	3.4
256.03256	0.7
262.06213	1.0
263.03326	1.5
264.04218	2.0
265.04874	1.4
266.05902	0.8
267.02719	0.6
277.05093	1.2
279.06613	0.6
281.04358	1.2
283.02414	3.3
284.03177	0.9
292.03751	0.9
294.05405	1.1
294.08698	0.6
295.09656	1.1
296.03299	1.1
305.04553	1.6
306.05240	2.1
307.06143	1.1
308.03284	2.1
309.04065	11.0
309.07446	0.4
310.04526	1.2
322.04730	2.4
323.05545	5.9
324.05951	0.8
331.62531	0.6
333.03873	0.8
334.04865	3.1
337.03085	0.8
337.07150	15.6
337.10980	1.1
338.07642	2.4
344.89163	0.6
351.05051	2.4
352.05902	2.2
354.03870	0.8
363.08694	3.7
381.09784	100.0
382.10138	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
59.27122	1.5
62.31438	1.2
69.38175	13.2
71.01248	3.5
73.02804	1.5
74.51900	1.3
75.91963	1.2
79.83688	1.2
85.02824	1.4
101.02348	3.0
101.77503	1.2
105.56797	1.5
135.04407	14.8
151.04048	1.5
159.04422	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02761	11.8
59.01258	100.0
62.06934	11.7
66.26418	11.9
69.03324	26.8
71.01236	12.3
71.58097	25.9
83.45039	11.5
96.95881	48.9
97.09915	12.0
101.02364	13.2
109.02829	30.0
133.57283	11.9
160.01543	18.2
171.10214	14.3
175.03871	15.0
288.47281	14.7
300.19022	13.1
305.17758	27.1
341.10934	12.2
341.23328	35.8
351.12128	15.5
379.11996	23.4
379.21414	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	380.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01588	1.2
70.60235	1.3
70.60606	1.3
90.26815	0.6
148.34480	0.6
174.99161	0.5
213.28908	0.6
217.00262	2.3
242.49301	0.7
261.64255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0826
Annotation	Chrysoqueen
Peak:m/z	Relative Intensity
52.94373	2.7
55.79294	2.9
59.00988	4.2
59.01250	58.4
61.90590	2.6
65.44592	2.6
65.63590	3.0
66.41270	3.3
68.99681	63.3
69.03314	3.2
71.01233	11.2
72.99156	3.3
73.02780	2.8
83.01243	9.8
83.20820	3.1
83.43922	3.1
85.02788	7.0
87.00742	11.6
88.92635	2.9
93.03327	3.9
96.99187	48.3
97.02835	3.0
99.00732	3.9
108.43794	3.7
111.00745	8.0
113.02350	5.7
115.00262	19.3
121.02819	14.3
125.02319	3.7
131.56770	3.0
134.03612	13.0
135.04390	16.7
136.04802	4.0
137.02357	5.1
138.03087	4.0
147.04411	5.3
149.02338	94.9
153.05444	3.3
157.01309	3.9
158.06032	4.8
163.03879	12.5
164.04684	60.7
165.05228	4.4
173.04497	6.2
174.01582	12.0
175.02393	72.4
175.03816	4.7
177.01822	14.3
179.07019	9.5
190.02553	7.1
191.03349	12.4
191.05504	12.2
192.04172	3.2
193.01320	4.8
193.04933	13.1
203.03461	8.3
204.04018	3.6
205.05080	14.3
207.02870	8.6
208.03654	6.5
218.05821	6.5
219.02863	6.6
223.04103	5.0
223.06067	69.4
224.06471	4.9
233.04503	4.3
234.05205	5.8
235.06146	3.5
237.07625	3.4
248.06740	5.1
249.07642	21.9
263.09229	8.4
277.07120	26.9
278.07352	3.9
291.08649	10.5
292.09015	3.8
321.06235	18.2
321.09259	3.4
337.09152	18.7
338.09222	3.5
381.08179	100.0
382.08130	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	379.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01602	1.0
60.66219	0.8
63.45939	0.8
69.87435	3.5
69.87853	1.6
71.01246	4.1
73.02818	2.5
83.01255	1.4
85.02795	1.4
89.02316	2.5
101.02329	5.9
113.02320	2.6
115.54012	1.0
117.61225	0.8
117.64106	0.9
119.03368	1.4
135.04414	24.8
136.04706	2.0
159.30740	0.8
161.04443	2.0
161.08119	1.0
169.31416	0.9
177.62143	1.1
179.03357	3.3
185.37170	0.9
191.05510	1.4
297.09738	2.6
306.92636	1.0
341.08685	4.2
379.16071	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	379.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03541	0.8
55.01754	5.1
56.38084	0.7
59.01249	1.9
67.77612	1.0
69.03322	100.0
69.60574	1.8
69.60997	4.3
70.03644	1.5
71.01250	1.8
72.99178	2.8
74.29333	0.9
79.01755	1.0
79.34225	0.8
95.01265	2.2
97.02828	17.1
99.00748	21.6
134.03624	6.9
134.68016	1.0
141.01854	6.5
154.03725	0.9
178.02628	1.1
185.00824	27.9
186.01180	1.0
190.90422	0.8
193.04936	2.6
203.01953	1.4
307.81750	1.0
354.02142	0.9
379.06729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76506	0.6
57.03310	0.9
59.01255	18.6
61.98704	1.0
70.57227	0.6
70.87879	0.9
70.88211	1.4
80.61025	0.8
87.00730	0.6
93.58132	0.7
95.04900	7.7
99.92489	1.0
113.09606	2.6
159.50392	0.6
179.05508	0.8
179.14375	1.1
181.12134	0.8
195.13855	16.2
196.14249	1.3
202.98692	0.7
215.46481	0.6
217.11894	1.2
246.12521	1.1
247.09404	1.0
249.06102	1.1
249.10925	0.9
249.22153	0.8
254.02776	1.5
277.21729	15.8
278.11420	5.3
278.22086	1.2
279.11990	1.2
295.22781	100.0
296.23160	8.2
317.20972	44.3
318.21423	4.2
335.20862	0.8
338.12228	2.4
341.10883	2.5
352.03931	0.7
359.45169	0.7
361.19940	4.9
377.08685	1.4
377.22095	13.0
378.22269	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	377.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.1
69.23499	0.8
69.23907	2.4
71.01251	0.9
74.51553	0.3
90.33565	0.3
93.03315	0.3
97.23469	0.3
99.00774	0.3
101.02322	0.3
105.99279	0.3
123.04444	0.3
123.08017	0.3
125.18806	0.3
134.03651	1.0
135.04410	100.0
136.04753	3.7
151.03911	1.3
163.04057	0.3
173.04477	0.3
179.03421	6.7
180.03819	0.3
191.05527	0.5
201.86438	0.3
202.31841	0.3
215.09277	0.4
224.85188	0.3
274.21359	0.3
275.26859	0.3
276.78299	0.3
297.09760	6.0
298.10120	0.3
323.27841	0.3
341.08734	16.5
342.09076	1.6
377.06354	2.8
377.15842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.8
58.00443	0.4
59.01249	5.9
59.49123	0.3
61.29640	0.4
64.89695	0.3
69.03308	0.7
69.51344	1.7
69.51756	0.6
71.01239	0.8
73.02816	0.7
85.02823	0.8
87.04395	0.7
89.02337	0.5
97.06461	0.6
99.00739	0.8
99.08048	0.3
101.02312	0.5
107.00591	0.3
109.06498	0.5
113.09611	0.4
123.08030	1.2
125.09596	0.6
135.08049	0.6
138.06708	0.5
139.11176	1.0
141.12753	0.5
153.09146	0.8
156.84418	0.3
157.12288	1.6
169.12280	1.6
171.10130	0.3
185.11743	2.5
215.12817	1.3
217.00237	1.1
245.60310	0.3
311.22076	0.8
327.21790	0.5
327.25342	0.4
329.23245	2.9
339.25388	0.8
350.98288	0.3
357.26459	3.7
373.25891	3.1
375.27469	100.0
376.27820	10.6
376.32684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60031	0.8
59.01248	57.3
71.01273	1.7
71.04885	4.6
78.63674	1.1
78.95743	1.0
112.00059	0.9
153.05513	1.3
161.88533	1.0
174.99194	5.0
209.15485	2.4
217.00241	13.7
221.15356	1.6
223.16953	4.1
231.21075	2.5
235.16977	32.0
236.17209	2.1
275.20126	31.3
276.20496	3.6
293.21204	100.0
294.21555	10.2
315.19186	1.0
359.01007	1.9
360.00955	1.0
375.21484	30.9
375.26303	1.9
376.21643	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	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31974	0.6
57.24783	0.9
59.01246	26.8
72.87017	0.7
79.05197	0.8
93.03345	1.0
95.04891	36.5
95.05510	1.8
99.92489	2.3
133.82346	0.8
150.02875	1.8
167.10672	0.9
174.99181	1.7
179.14293	1.7
185.69113	0.8
189.05193	1.1
195.13815	11.1
196.14380	1.3
217.00217	7.5
218.54250	1.0
223.13345	11.7
228.13789	1.0
246.12292	13.0
249.06279	1.6
254.02869	1.0
256.13153	2.0
263.07669	1.2
263.83170	0.9
268.08316	0.8
275.20056	4.5
278.08084	0.8
278.11334	82.7
279.11688	5.6
293.21210	100.0
294.21490	9.6
315.19418	19.4
316.19745	2.0
338.12198	11.0
375.21262	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	15.5
64.16754	0.5
71.01253	11.2
71.58562	0.6
76.78563	0.5
101.17583	0.4
127.07568	1.7
148.05171	0.6
151.07552	0.7
164.08388	1.0
174.99156	3.9
177.09084	4.4
190.09883	3.3
191.10457	0.6
192.11465	8.4
193.11908	1.0
201.02440	1.0
205.12291	3.6
207.13855	2.0
217.00240	14.0
218.00751	0.6
218.09419	2.2
220.12950	0.5
220.14622	42.0
221.15404	100.0
222.15741	7.5
231.17520	0.6
235.13356	1.5
236.10489	90.6
237.10880	6.9
264.08401	1.1
275.16684	1.0
292.11560	1.0
293.17587	43.6
294.17902	3.9
318.09610	7.3
319.09747	1.5
321.15567	2.0
325.01633	0.6
335.13513	1.0
358.08563	0.5
375.17813	8.7
376.18228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73875	0.5
56.47396	0.4
57.03349	1.0
59.01248	14.8
61.46256	0.4
69.03302	0.5
71.01247	3.3
71.04871	0.7
71.58114	0.7
73.02813	4.8
74.02345	1.8
75.00779	0.5
85.02851	0.8
87.00737	4.4
87.04385	0.6
96.95870	0.7
99.00745	0.9
101.02310	0.7
103.03922	0.9
105.01826	1.5
111.08054	1.7
113.02381	0.7
126.02778	0.4
128.08374	0.6
129.10248	1.9
136.03946	0.9
147.02916	2.2
165.03975	7.7
165.12766	27.2
166.13110	1.6
169.12177	0.7
169.91974	0.5
171.11320	1.1
178.50577	0.5
180.16605	0.4
183.13826	100.0
184.14163	5.4
185.11743	4.5
186.27504	0.7
209.11757	1.7
211.53661	0.5
211.65152	0.5
227.12828	91.7
228.13135	5.9
242.11909	1.5
285.20685	0.8
329.23193	1.9
331.94846	0.8
343.09430	0.9
357.15286	0.7
357.26489	1.3
374.26010	0.5
375.16653	14.5
375.27435	24.8
376.18579	2.4
376.27682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59996	1.2
55.01751	6.7
57.03319	6.5
58.00457	4.7
59.01249	78.2
69.38097	10.8
69.38530	3.3
71.01250	60.6
72.99174	5.7
73.02818	12.1
75.00755	2.9
83.01260	10.0
85.02818	26.4
87.00745	6.0
89.02313	32.2
93.03345	2.6
95.01269	7.1
99.00732	7.0
101.02317	53.5
107.04954	1.7
111.00755	2.6
113.02326	20.7
119.03384	23.0
119.31297	1.2
121.02918	1.4
123.04397	2.0
124.76910	1.3
125.02357	2.0
135.04376	2.3
135.08136	1.3
135.27548	1.4
137.02290	1.7
143.03384	3.3
149.02344	1.6
150.03090	1.8
151.03883	1.7
161.04446	5.1
173.04462	2.7
177.09079	8.6
179.03377	1.6
179.05562	7.5
184.13545	1.5
189.80058	1.4
191.05579	2.9
195.10182	1.6
198.06715	2.5
212.08275	7.7
213.11302	2.7
227.12885	2.3
240.06461	1.7
241.07300	7.0
255.08846	31.0
256.08978	2.0
257.27109	1.8
311.09247	1.8
331.17822	2.6
345.13614	2.8
357.15714	26.1
358.15903	2.7
375.16626	100.0
376.16879	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	374.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	17.1
59.08842	0.5
60.49268	0.5
70.81284	1.2
96.95911	0.9
101.05954	1.2
116.57927	0.5
132.98128	0.6
174.99162	6.3
177.91574	0.6
180.78011	0.6
189.10318	0.8
201.02434	1.5
217.00218	19.1
232.08562	0.9
232.10861	10.3
252.25017	0.5
289.18002	1.4
290.18759	2.9
316.16614	1.3
358.21313	1.2
374.24454	100.0
375.07401	0.7
375.24750	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	373.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.2
57.86044	0.8
59.01249	13.2
60.87827	0.7
62.82607	0.7
69.03333	0.8
71.01243	5.5
71.04878	3.5
72.99161	0.7
73.02827	5.5
83.01268	0.9
85.02825	1.9
89.02322	4.4
94.45270	0.8
95.01286	1.4
95.04912	0.6
95.81122	0.6
96.95861	0.9
97.06483	1.0
98.20560	2.0
101.02299	3.9
113.02328	2.4
119.03387	2.1
123.07999	1.7
125.09609	5.5
135.04485	0.7
139.07532	0.8
141.12762	1.9
143.69717	0.6
151.03905	1.1
153.01816	0.8
161.04529	1.3
169.12241	3.2
171.10173	5.4
185.11743	100.0
186.10503	0.9
186.12036	4.9
188.34860	0.7
197.11728	1.6
201.11108	0.7
250.83167	0.7
309.20926	1.2
343.24881	3.2
355.24844	61.0
356.25189	7.3
373.13083	1.5
373.22318	2.4
373.25934	65.9
374.26218	8.1
388.43262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2594
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03325	2.7
59.01252	2.4
68.97179	0.2
69.03320	0.7
71.01237	0.6
71.59309	0.3
73.02814	0.8
85.02822	1.0
86.25111	0.3
87.04395	0.4
89.02321	0.8
97.06454	0.5
101.02320	0.5
109.06501	0.3
111.05269	0.2
111.08010	0.7
113.02319	0.4
119.03361	0.3
123.08048	1.1
125.09602	3.5
127.11180	2.8
137.09607	2.2
139.11159	0.3
141.09097	0.6
143.10678	0.5
149.09554	0.3
151.03889	0.5
153.09090	0.8
153.12773	0.7
155.10670	2.1
169.12201	0.4
171.10173	10.9
172.10472	0.7
183.13745	0.3
201.14767	0.5
217.14246	0.3
229.14493	0.6
230.15158	1.1
327.21805	0.7
343.24780	0.5
355.24744	2.0
371.24448	1.6
373.25909	100.0
374.26282	11.2
397.15808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	15.5
71.01244	0.5
71.57350	0.8
87.18806	0.4
87.46918	0.5
89.02270	0.4
93.03326	2.6
95.04888	0.4
97.06419	0.5
103.98549	0.4
115.91939	0.6
125.48698	0.4
148.08804	1.1
150.10364	0.7
151.03961	0.6
151.11163	0.7
163.11235	1.3
165.12766	19.8
166.13156	0.9
174.93242	0.7
175.11203	0.5
176.12022	0.6
177.00351	0.5
194.26971	0.4
217.15913	0.7
235.36057	0.5
244.10907	3.4
247.05333	0.4
247.20662	10.5
248.21039	1.0
273.18585	5.2
274.19019	0.5
291.19644	100.0
292.16855	0.8
292.19995	8.7
311.75592	0.4
313.17819	12.1
314.18237	1.2
373.19934	12.3
374.20111	1.0
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
55.01759	0.4
57.03328	0.6
57.81680	0.3
59.01249	100.0
60.01590	1.3
62.03545	0.3
63.32376	0.3
66.35197	0.3
69.03317	1.5
69.53020	2.0
71.01251	5.9
72.99174	0.8
73.02816	1.7
75.00723	0.4
77.47319	0.3
83.01284	1.0
85.02811	2.5
87.00774	0.4
89.02319	2.8
93.03384	0.4
95.01265	0.3
97.02879	0.6
99.00798	0.8
101.02319	3.3
108.02068	0.9
109.02828	0.4
113.02319	2.6
119.03429	1.1
119.04932	0.3
125.02383	0.6
135.04515	0.5
149.02393	0.3
151.00359	0.3
151.03973	0.3
152.01079	0.8
161.02455	0.4
161.04501	1.4
173.04501	0.7
179.05519	0.5
181.12340	0.3
220.87315	0.3
225.36037	0.3
278.25125	0.3
279.15842	0.3
285.11844	0.4
331.17804	1.1
343.11188	0.3
373.13760	0.6
373.18594	0.3
385.85229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.07037	0.5
55.01759	1.1
57.03319	2.0
59.01248	100.0
60.01574	1.2
67.05454	0.4
69.03327	0.7
71.01250	10.0
71.58723	0.8
72.01610	1.2
72.99190	0.6
73.01675	0.9
73.02821	3.2
74.03188	0.5
75.00741	1.3
80.59969	0.5
83.01268	1.9
85.02808	5.5
86.03176	0.6
87.00771	1.4
89.02312	2.2
95.01289	1.1
95.10461	0.5
96.95923	0.5
97.02847	0.8
99.00777	1.5
101.02318	6.2
102.02656	1.3
113.02321	4.6
114.02724	0.5
120.13567	0.5
135.04381	0.6
149.99478	0.5
151.03854	0.5
161.04442	3.9
162.04781	0.9
163.04971	1.0
187.59076	0.5
193.12254	0.7
237.11290	1.1
249.06139	0.9
249.08617	1.0
267.07239	1.5
278.62927	0.5
285.04172	2.1
331.17606	3.1
355.13779	0.5
373.05411	0.6
373.14847	0.6
373.21487	2.3
373.26108	2.5
374.12515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.02255	1.6
69.03326	1.9
69.33700	9.5
69.34119	5.1
71.01255	5.5
78.83848	1.5
85.02779	3.6
91.01756	3.3
93.03309	4.0
94.38050	1.6
97.02816	2.2
98.19780	3.3
99.00741	1.8
101.02348	2.0
113.02319	3.8
121.02800	3.6
121.33318	1.5
123.99910	1.6
135.04437	2.8
135.20485	1.7
137.02316	4.7
151.03906	48.0
152.04698	14.8
153.01875	1.8
161.04495	3.8
167.07059	11.1
173.04585	1.8
191.05490	3.1
197.04358	1.8
207.75717	1.6
237.34668	1.6
258.47723	1.8
266.13995	1.8
333.88120	1.6
373.06073	2.3
373.11475	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	372.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47115	13.3
56.72356	13.2
59.01249	100.0
73.53653	13.5
98.19652	26.0
115.91930	40.2
151.04037	17.5
174.93315	36.4
189.81865	17.6
259.93716	13.7
356.83142	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73026	0.8
53.94543	0.7
58.52067	0.9
59.01252	4.6
71.56882	0.8
71.57211	0.9
72.99187	1.4
85.02823	2.6
109.99954	7.2
110.25821	0.8
113.02319	3.3
114.54307	0.8
125.02313	5.5
137.99487	8.3
139.00227	4.8
151.03932	1.5
152.01033	2.8
153.01825	100.0
154.02637	9.0
155.03392	1.4
161.04521	0.9
166.02538	1.2
167.03397	8.7
168.04182	57.7
169.01469	1.1
169.04973	23.9
170.05232	1.0
193.93282	1.1
366.72748	0.8
373.07574	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2074
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.48473	0.5
55.01755	9.1
57.03320	7.8
58.00470	3.0
59.01248	55.7
60.01590	0.5
68.21542	0.5
68.99683	1.0
69.03319	5.5
71.01250	100.0
72.01580	2.0
72.99175	4.2
73.02814	30.6
74.03150	0.6
75.00738	1.5
81.03342	0.5
83.01252	14.2
84.02025	0.6
85.02818	43.8
85.99968	1.5
86.03172	1.0
87.00764	4.4
89.02311	20.6
95.01260	7.0
97.02833	4.0
99.00752	15.2
99.01420	0.8
101.02318	82.4
102.02642	1.2
111.00742	1.6
113.02323	42.9
114.02641	0.6
115.03840	0.6
119.03376	7.0
119.26427	0.6
123.00742	0.6
123.08021	0.7
125.02313	2.9
129.01830	2.8
130.08662	1.3
131.03406	1.6
134.66821	0.5
137.09624	1.3
141.01846	0.5
143.03400	5.4
149.04498	0.9
149.09633	0.5
159.02890	10.0
161.04456	48.2
162.04741	1.6
167.01428	0.5
179.05537	1.0
185.00797	1.5
205.03490	1.7
209.02873	1.1
209.15388	8.9
210.15881	0.7
222.02879	0.5
229.28107	0.6
229.30299	0.6
279.15860	0.7
341.10263	0.7
371.20691	38.1
372.21185	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	371.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	7.5
57.03326	8.7
58.00455	2.6
59.01250	57.5
60.01564	0.8
68.99684	0.9
69.03337	1.4
69.51160	2.8
69.51582	1.2
71.01252	100.0
71.05848	0.5
72.01599	1.0
72.99188	4.8
73.02817	32.0
74.03157	0.6
75.00742	1.9
83.01254	15.2
84.02046	0.6
85.02820	48.1
85.99977	1.0
86.03157	0.7
87.00746	4.2
89.02316	22.0
95.01260	7.4
97.02814	2.9
99.00758	14.0
101.02319	83.5
102.02662	1.8
111.00739	2.0
113.02327	42.8
114.02670	1.0
118.43145	0.4
119.03396	9.3
123.08044	1.0
125.02320	3.2
129.01826	2.1
131.03386	1.6
133.02829	0.6
135.04453	1.0
137.09627	1.6
138.28311	0.5
143.03391	4.7
149.04408	0.6
149.09662	0.6
159.02892	10.3
161.04460	54.3
162.04704	2.5
168.92767	0.5
173.04541	0.6
179.05473	1.1
191.01891	0.5
205.03444	3.1
209.02913	1.4
209.15398	10.2
210.15747	0.9
285.04077	1.1
290.36661	0.4
371.20709	44.5
372.21118	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	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67173	0.5
55.01754	4.1
58.52407	0.6
59.01249	8.1
63.32441	0.4
63.92163	0.5
67.01762	0.9
69.03324	100.0
69.30042	5.3
70.03656	1.8
71.01263	2.9
72.99184	2.1
73.02815	1.5
79.01769	1.9
81.78845	0.5
83.01279	0.5
85.02837	2.3
89.02332	0.7
95.01264	1.7
97.02826	22.5
99.00755	25.2
101.02316	1.3
111.00725	0.6
113.02342	1.7
115.00137	0.5
123.00783	0.9
141.01814	10.1
152.04709	9.1
159.03052	0.6
159.04390	0.6
161.04532	0.5
167.07060	7.1
185.00836	61.3
185.11768	4.9
186.01170	2.0
203.01912	3.5
209.02953	0.9
371.13641	5.5
371.24420	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	100.0
69.03336	1.0
69.80486	3.9
71.01267	2.7
72.99200	1.1
75.00739	1.3
83.01293	0.9
85.02831	4.6
87.00748	1.2
93.03338	1.5
95.72979	0.8
101.02370	0.8
107.29175	0.8
121.02868	2.5
123.04397	1.0
133.02907	0.9
135.04419	1.6
136.32045	0.9
141.01894	0.9
147.03026	0.8
149.02335	1.4
150.03149	1.4
153.09143	1.1
164.04671	1.6
166.05028	1.2
167.03459	1.4
173.04512	2.1
191.05524	5.0
194.05743	0.9
197.04498	1.4
209.02989	1.2
223.06116	1.3
273.92993	0.9
295.97266	0.9
371.06024	1.3
371.13455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03316	3.0
58.00437	1.1
59.01245	20.9
64.99386	0.9
67.01761	2.0
68.99688	3.3
69.03330	2.5
69.58305	7.1
71.01250	19.4
72.57195	0.9
72.99171	5.9
73.02821	1.4
74.02336	3.0
74.59366	1.0
75.00304	1.4
75.00742	27.5
76.40374	1.0
76.73926	1.0
80.84188	1.1
81.03324	2.2
82.67031	1.3
83.01261	1.5
85.02818	22.8
87.00735	8.0
89.02318	4.7
91.03886	1.6
93.03331	1.7
95.01247	5.0
97.02826	1.1
99.00746	11.0
100.82845	1.0
101.02406	1.2
103.00243	2.8
111.00761	1.7
113.02325	26.6
115.00253	2.2
117.01788	3.5
121.02840	100.0
121.57127	1.0
122.03153	2.7
123.04381	6.1
125.02296	1.6
126.57233	1.0
129.01768	2.7
135.04439	2.0
137.02356	1.1
139.00291	0.9
141.06644	1.2
149.02376	6.9
164.04745	4.6
165.03926	6.8
167.03404	19.1
175.02411	3.2
180.47769	1.1
189.03888	1.2
191.05455	1.4
209.02895	2.6
223.06085	6.6
231.05029	8.6
249.06110	81.9
250.06441	3.7
353.08731	1.5
371.09790	50.6
371.16772	3.8
372.10352	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	371.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02254	0.2
55.01743	0.4
55.55888	0.2
57.03346	0.3
59.00975	0.3
59.01250	3.0
60.37139	0.2
69.03323	14.5
70.03668	0.3
70.91435	0.2
70.91776	0.4
71.01243	0.5
72.99181	0.2
73.02807	0.3
75.00774	0.2
79.01742	2.0
81.03319	0.9
83.01233	0.3
85.02830	1.3
89.02311	0.3
93.03346	0.8
95.01263	1.3
97.02829	8.7
99.00764	0.4
101.02356	0.4
107.01266	10.9
108.02072	0.5
109.02850	0.5
111.04386	0.3
113.02326	0.3
121.02828	0.9
122.03629	0.5
123.00767	2.8
123.04443	0.3
125.02335	22.6
126.02663	0.7
133.02843	0.9
134.03674	0.3
135.00778	11.7
135.04372	1.1
136.01613	1.2
137.02368	0.4
145.02843	0.4
147.04396	0.3
149.02350	1.1
150.03052	0.3
151.00269	18.9
151.03783	0.5
152.00841	0.8
153.01852	0.9
158.02415	0.2
161.02356	0.5
162.03081	0.3
163.03902	1.5
165.01762	0.9
166.02623	100.0
167.03395	20.3
168.03760	1.1
173.04468	0.8
177.01862	2.9
179.03397	0.8
191.01839	0.3
191.03479	0.5
191.05569	0.9
193.04980	0.3
208.00078	0.6
209.02945	0.3
209.04535	3.2
209.75034	0.2
221.04478	0.6
222.04784	0.3
235.02324	0.2
311.07803	0.5
332.16409	0.2
335.07721	0.2
339.07159	0.6
371.06372	0.5
371.09851	7.6
372.10376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24467	0.4
56.06943	0.5
57.03333	0.8
59.01254	2.8
65.01472	0.4
69.03314	0.4
70.92285	1.1
71.01241	1.6
74.61363	0.4
79.76060	0.5
85.02811	4.7
87.00745	4.2
93.03331	3.3
109.02832	2.1
111.04385	1.5
115.67653	0.5
123.04407	2.0
129.01797	0.7
134.03633	1.9
135.04407	100.0
136.01587	0.6
136.04739	3.5
137.02312	1.7
149.06032	1.1
151.03885	1.0
153.05476	1.1
155.03400	1.4
163.03949	0.6
164.04718	1.0
167.03366	0.9
173.04451	6.9
177.05531	0.6
179.03415	4.4
179.07007	1.4
191.01918	1.4
191.05536	10.7
196.64882	0.4
197.04469	2.8
209.02928	3.2
210.30028	0.5
235.06131	2.5
275.19553	0.5
324.80301	0.5
341.08688	1.0
353.08752	2.2
371.09750	8.8
372.10028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	1.1
57.03320	8.7
58.00471	0.7
59.01245	10.4
63.71992	0.4
67.01754	1.6
68.99683	1.1
69.03304	0.5
71.01248	12.2
72.10583	0.4
72.99177	4.3
73.02812	1.5
75.00737	2.3
81.03310	0.6
83.01241	2.1
83.04894	0.7
84.02043	2.8
85.02818	81.3
86.03162	2.2
87.00745	14.2
89.02304	4.5
89.59335	0.4
93.03329	9.3
99.00758	0.6
101.02322	1.4
103.00226	1.3
108.02061	0.6
109.02824	1.8
111.00767	3.3
111.04408	2.8
113.02321	0.5
115.00255	0.9
119.07232	0.4
121.02869	0.7
123.04410	3.7
127.03899	1.2
129.01828	5.7
133.01308	5.6
133.02805	0.5
134.03647	2.3
135.04407	100.0
136.01532	2.6
136.04736	4.4
137.02335	2.2
146.03607	0.8
147.02879	5.7
148.05188	1.2
149.05956	2.1
151.03914	3.0
153.05478	1.6
155.03410	3.2
161.02322	2.2
162.03127	0.9
163.03889	1.0
163.07475	0.8
164.04677	1.2
166.92805	0.5
167.03371	1.6
173.00821	1.4
173.04466	27.1
174.04773	0.7
175.03810	0.6
176.04765	0.5
177.01808	0.8
177.05453	1.5
179.03424	8.5
179.07025	1.5
180.03731	0.5
191.01897	23.7
191.05522	47.5
192.02223	0.9
192.04248	0.6
192.05753	2.2
197.04471	9.2
198.04773	0.5
204.04285	0.5
205.08617	0.4
207.06633	0.5
209.02960	96.2
210.03333	3.3
216.04202	0.5
219.06572	0.9
235.06091	5.3
247.06032	0.5
251.05629	1.6
265.07092	0.9
295.08072	0.9
321.89890	0.4
341.08575	1.4
353.08768	5.0
371.09808	26.5
372.10159	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	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	5.2
59.01237	5.4
69.75124	1.7
69.75536	3.9
71.01244	5.7
72.99187	3.3
73.02795	1.5
75.00702	1.1
83.01261	1.4
85.02815	45.3
87.00742	7.6
89.02309	3.4
93.03304	5.0
104.14939	1.0
107.29784	1.0
109.02792	1.1
111.00784	2.0
111.04418	1.7
111.39314	0.9
123.04366	2.3
129.01810	4.2
133.01324	3.6
133.02837	0.9
134.03592	1.1
135.04401	52.1
136.01564	1.3
136.04733	2.1
137.02292	1.4
147.02850	3.4
149.05943	1.1
151.03935	2.3
153.05446	2.1
155.03354	1.3
173.04475	17.4
179.03384	4.6
187.30553	1.0
191.01904	18.1
191.03664	2.1
191.05510	29.9
192.05762	1.6
197.04460	6.7
209.02950	100.0
210.03267	3.3
235.06032	2.5
251.05884	0.9
265.07098	1.4
319.46054	1.0
353.08743	3.4
371.09775	25.7
372.10037	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	371.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55729	0.9
57.03324	9.2
57.47716	0.9
59.01239	8.9
71.01248	9.2
71.32635	1.8
72.99155	2.4
75.00726	1.2
83.01261	1.4
84.02009	1.3
85.02815	87.4
86.03143	2.2
87.00736	6.7
89.02315	5.3
91.78333	0.8
93.03329	3.6
101.02309	1.4
103.00228	2.2
111.00755	4.2
111.04391	1.0
121.37842	0.9
123.66825	0.9
126.68854	1.1
129.01808	7.0
133.01323	5.7
135.04407	30.9
136.04741	1.2
137.02362	1.3
147.02893	5.0
149.89417	0.9
151.03912	1.6
153.05460	1.3
155.03375	1.2
161.02264	1.0
173.00854	2.2
173.04466	8.9
179.03381	4.3
191.01892	28.8
191.05528	15.8
197.04497	4.6
209.02954	100.0
210.03284	2.3
235.06055	2.8
243.55803	1.1
248.00629	1.0
248.45628	0.9
341.08731	1.2
353.08740	1.6
371.09918	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	371.0768
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01245	4.4
60.31551	0.3
66.31244	0.2
71.01257	0.4
71.57877	0.4
81.66083	0.3
85.02827	1.1
93.03349	0.5
102.40306	0.3
121.02834	100.0
122.03169	3.1
135.04433	0.4
149.02330	0.6
179.03409	10.4
180.03712	0.8
181.06436	0.4
187.07480	0.3
193.43565	0.3
197.06033	0.4
209.02991	0.6
225.05556	0.7
239.07060	0.5
255.06564	0.4
262.76999	0.3
283.06076	0.4
341.03107	0.4
356.05408	0.7
368.11029	0.3
371.07654	10.5
372.08017	0.8
392.09064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
55.55965	0.8
57.03318	9.8
59.01243	9.4
67.01756	1.2
68.99685	1.6
69.64709	6.0
71.01250	12.6
72.99178	5.4
75.00723	1.1
83.01238	1.4
84.02025	2.0
85.02816	78.1
87.00755	11.0
88.17966	0.9
89.02325	5.3
93.03336	7.9
98.20525	1.3
101.02303	1.3
103.00238	1.5
109.02806	1.4
111.00744	2.8
111.04401	2.0
111.58826	0.9
113.02274	0.9
115.00239	1.6
116.99272	0.9
123.04386	3.0
127.03883	1.8
129.01834	5.9
133.01318	5.9
134.03654	2.0
135.04404	81.2
136.01524	2.1
136.04752	3.9
137.02357	1.4
147.02893	5.3
149.05983	2.3
151.03905	2.3
153.05388	1.1
155.03322	1.9
161.02345	1.5
164.04716	1.0
167.03548	1.6
173.00896	1.1
173.04462	23.5
173.05956	1.5
174.04723	1.0
179.03435	6.7
179.10823	1.0
179.40921	0.9
179.51624	0.9
190.06273	1.5
191.01901	21.9
191.05518	36.4
191.97289	1.1
192.05855	1.5
197.04477	8.0
209.02951	100.0
210.03319	2.0
235.06065	3.6
353.08691	3.8
371.09824	19.5
372.10190	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	371.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03627	1.3
57.03318	4.1
59.01245	7.8
63.60717	1.2
71.01234	9.3
72.99170	5.5
73.02831	1.4
75.00760	1.6
76.91824	1.3
81.45370	1.2
83.20085	1.4
84.02029	1.6
85.02822	57.0
86.03130	1.5
87.00744	11.4
89.02319	3.8
93.03329	5.2
101.02332	1.4
110.51073	1.2
111.00703	1.2
111.04433	1.9
123.04409	1.6
129.01830	4.9
133.01283	5.3
135.04414	17.0
136.01570	2.8
147.02936	2.7
151.03917	3.8
155.03287	1.5
173.04463	23.3
179.03349	3.2
190.20505	1.4
191.01924	14.7
191.05547	10.2
197.02951	1.8
197.04492	10.7
209.02960	100.0
210.03297	1.8
283.12558	1.4
358.11035	1.9
371.09793	22.0
372.09418	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	371.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	8.5
59.01251	8.9
61.28117	0.7
68.99698	0.8
69.70481	4.8
71.01244	10.6
72.99188	2.4
73.02808	1.0
75.00749	1.3
83.01259	2.2
84.02013	1.4
85.02818	67.8
86.03161	1.1
87.00731	2.6
89.02299	5.1
103.00265	1.3
110.28758	0.9
111.00759	3.6
115.58037	0.9
129.01843	6.2
133.01318	4.4
135.04384	4.5
147.02887	4.6
148.05191	1.2
154.06418	0.8
173.00824	1.8
173.04443	1.4
179.03542	1.8
191.01892	24.3
209.02962	100.0
210.03308	2.5
234.93011	0.7
235.06036	2.0
265.07187	3.3
371.09735	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	369.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.9
57.03301	1.5
59.01254	8.1
69.03323	18.6
69.26141	4.6
69.26568	5.0
71.01257	5.9
72.99166	0.9
73.02810	2.4
75.00746	1.3
76.52471	0.8
83.01239	1.3
85.02812	6.7
89.02317	4.4
93.03352	1.2
95.01255	1.0
96.95905	1.1
97.02811	3.2
99.00727	4.9
101.02323	2.8
108.01924	0.9
113.02343	3.5
119.03393	0.9
125.02338	1.4
132.02078	4.3
133.02791	0.9
137.02319	1.8
137.09596	1.5
141.01820	1.5
141.06593	0.9
145.02887	1.4
146.03616	2.9
147.04440	1.2
149.02377	1.0
160.01563	11.8
161.02269	1.1
161.05933	1.0
163.03824	1.3
164.04707	2.5
165.05481	0.8
173.04399	1.1
179.07060	8.5
185.00865	9.9
191.05521	1.7
197.06079	1.1
206.07298	1.0
209.06137	1.2
221.06046	1.5
222.06825	3.7
223.04384	2.9
223.07562	2.5
224.08334	2.0
225.05531	1.7
233.06007	0.9
235.07455	1.1
236.08276	1.1
237.05521	1.6
238.06346	1.9
239.07060	2.1
240.07846	8.4
243.06602	5.5
244.07364	5.5
249.05545	2.3
250.06367	2.0
251.07065	4.4
252.07892	2.5
253.08446	0.9
255.10239	3.6
256.07217	1.1
261.05624	1.2
263.07062	3.0
265.08627	1.2
267.06754	2.6
267.10345	2.3
268.07401	14.8
269.07950	1.5
278.05859	2.8
279.03812	1.5
279.06464	7.0
280.07364	17.8
280.10287	1.3
281.08124	3.2
283.09698	15.3
291.06641	1.5
293.08264	3.7
294.08890	1.9
295.06192	4.4
295.09326	1.3
296.06827	13.1
297.03998	3.4
297.07123	1.2
306.05368	1.6
306.08768	1.1
307.06100	3.8
308.06894	20.4
308.10071	0.9
309.07666	15.0
310.08090	0.9
311.09235	8.3
321.07541	5.3
322.08386	10.3
323.05386	2.0
323.09195	36.7
324.06366	18.5
324.09991	13.5
325.06915	2.3
325.10403	1.6
337.10754	10.0
338.11557	22.6
339.08710	100.0
339.12277	10.0
340.08972	8.6
353.10226	8.1
354.11066	69.7
355.11420	7.5
369.09729	4.7
369.13474	61.4
370.10104	1.0
370.13934	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	369.1339
Annotation	Fragransol D
Peak:m/z	Relative Intensity
55.01730	0.7
57.03309	1.1
59.01250	5.9
66.75162	0.5
68.61298	0.5
69.03324	9.8
69.24380	1.2
69.24791	4.4
71.01257	2.5
72.99123	0.8
73.02795	0.8
79.16920	0.5
83.01196	0.8
85.02818	3.7
88.35895	0.5
89.02283	1.7
92.50546	0.5
93.03316	0.7
95.01241	0.6
97.02796	1.5
98.20560	1.0
99.00755	2.6
101.02283	2.2
111.00793	0.6
113.02291	1.7
116.35372	0.5
119.03349	0.6
129.01775	0.5
132.02065	4.1
135.04427	0.7
137.09587	1.2
145.02832	1.0
146.03584	3.5
147.04407	2.9
160.00250	0.7
160.01563	11.3
161.02223	1.7
161.05931	1.6
164.04660	2.1
175.03960	0.8
179.05495	0.6
179.07040	7.4
185.00893	3.2
185.02220	0.6
191.05531	0.8
198.06615	0.6
199.65085	0.5
206.07283	0.7
209.05963	0.8
211.03845	0.8
211.07555	1.3
213.05539	0.6
216.07811	1.5
221.05971	2.3
222.06770	5.0
223.04393	0.7
223.07603	2.9
224.04828	0.7
224.08397	2.4
225.05576	2.5
225.14771	0.6
226.06252	0.9
227.07025	0.7
233.06071	1.5
235.07635	0.7
237.05569	0.7
237.09093	0.7
238.06242	1.6
239.07027	2.5
240.05725	0.8
240.07875	9.2
241.08405	0.9
243.06557	7.1
244.07310	4.9
247.07561	0.7
249.05499	1.2
250.06331	2.4
251.07027	4.7
252.07919	2.4
253.05121	0.7
255.10271	4.3
256.07455	0.6
261.05484	1.6
262.06323	1.3
263.06967	1.6
265.08667	1.2
267.06586	3.1
267.10211	1.8
268.07404	19.1
269.07907	1.2
272.06879	0.6
277.05121	0.8
278.05789	2.4
279.06604	5.9
280.07410	18.7
281.05045	0.8
281.07855	3.3
283.06619	0.7
283.09717	17.0
284.10089	1.3
289.04849	0.6
290.05640	1.0
291.06604	2.2
292.07315	0.6
293.08130	3.7
294.05878	0.7
294.08786	3.2
295.06049	3.0
295.09424	1.0
296.06873	12.0
297.07278	0.6
306.05377	1.6
307.06094	5.5
307.09402	0.8
308.06882	18.8
308.09744	0.7
309.07648	16.5
310.08176	1.8
311.05719	0.8
311.09198	8.2
321.07681	5.8
322.08414	8.8
323.09198	37.2
324.06329	19.4
324.09943	14.4
325.06631	1.5
325.10260	1.0
337.10779	8.7
338.08295	0.6
338.11566	18.2
339.08707	100.0
339.12231	8.3
340.09045	10.2
340.12820	1.2
353.10330	6.3
354.11060	59.5
355.11487	6.5
369.13412	57.2
369.23062	1.0
370.13879	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	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	5.4
59.01252	2.2
59.15197	0.5
65.32999	0.6
67.01758	0.6
69.03324	100.0
69.36698	4.6
69.37106	1.0
70.03666	2.4
71.01252	2.0
72.99181	2.2
75.00763	0.6
79.01752	1.2
85.02814	4.0
95.01273	2.5
96.18298	0.5
97.02827	18.7
98.20578	1.2
99.00749	24.3
101.02351	0.7
104.95855	0.6
113.02338	1.4
123.00765	0.8
123.04423	0.6
126.73364	0.5
134.00069	0.6
141.01836	10.9
146.03722	0.7
150.28937	0.5
183.10210	1.5
185.00826	49.8
186.01166	1.7
191.05637	0.8
223.04707	0.9
237.08739	1.3
269.04590	1.7
280.07425	0.7
296.07135	0.7
311.09232	0.6
323.09351	1.5
324.09875	0.8
338.11627	1.0
339.08749	3.8
354.11084	3.1
369.11932	9.6
370.12537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	4.8
57.03329	0.8
59.01244	5.7
59.07517	0.5
59.76329	0.7
69.03325	100.0
69.58747	4.9
70.03644	1.6
71.01260	4.9
72.99167	2.5
79.01794	0.8
83.01239	0.8
85.02814	4.5
89.02318	3.8
95.01275	2.8
97.02828	19.4
99.00756	24.1
101.02312	1.9
111.00809	0.9
113.02341	2.1
119.03400	0.6
123.00787	1.1
129.01820	0.6
137.02371	0.8
137.09679	1.4
141.01817	8.7
158.62674	0.6
185.00841	48.9
186.01212	2.0
203.01797	0.7
212.97371	0.7
223.04636	1.1
268.07553	0.7
280.07346	0.9
283.32816	0.7
308.06921	1.1
309.07779	0.9
323.09238	1.0
324.06396	1.2
324.09940	0.9
339.08771	3.3
339.12317	0.8
354.11151	1.8
369.11942	6.7
374.97681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71284	0.4
58.72818	0.4
59.01249	2.1
68.16882	0.4
71.01256	0.7
71.58080	0.4
75.61757	0.3
85.02820	1.5
93.03271	0.5
96.95855	0.5
98.81130	0.4
99.00722	0.3
101.02330	0.4
104.12564	0.3
108.02018	0.5
109.02827	0.6
111.00676	0.4
121.02855	0.9
135.04387	3.9
136.01495	0.8
145.02835	0.5
147.08046	0.6
148.01569	2.4
148.11559	0.4
149.02335	3.2
151.03868	0.5
161.02307	0.4
167.03329	0.4
171.04445	0.5
173.05994	0.5
175.03949	0.6
188.01103	1.0
189.01872	0.7
197.05994	0.7
203.03383	0.5
209.06007	0.7
211.03882	0.7
212.04695	0.4
213.05539	0.4
216.04176	0.4
217.04971	0.8
223.04539	0.6
225.05528	1.8
226.06180	0.4
227.03285	0.5
231.54796	0.5
233.08321	0.8
241.05014	1.9
242.05719	0.5
243.06618	0.5
251.09361	0.9
253.05054	3.5
254.05815	1.7
255.02992	0.5
266.20120	0.4
269.04517	4.8
270.05219	2.5
271.05930	0.7
281.04456	1.3
284.03247	0.9
285.03989	0.6
297.03998	9.0
297.07266	0.7
298.04700	7.8
299.05490	4.6
330.03778	9.9
331.04239	1.0
335.05536	0.6
336.06378	0.9
341.10199	1.7
351.08575	2.4
369.09723	100.0
370.10056	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	369.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71284	0.4
58.72818	0.4
59.01249	2.1
68.16882	0.4
71.01256	0.7
71.58080	0.4
75.61757	0.3
85.02820	1.5
93.03271	0.5
96.95855	0.5
98.81130	0.4
99.00722	0.3
101.02330	0.4
104.12564	0.3
108.02018	0.5
109.02827	0.6
111.00676	0.4
121.02855	0.9
135.04387	3.9
136.01495	0.8
145.02835	0.5
147.08046	0.6
148.01569	2.4
148.11559	0.4
149.02335	3.2
151.03868	0.5
161.02307	0.4
167.03329	0.4
171.04445	0.5
173.05994	0.5
175.03949	0.6
188.01103	1.0
189.01872	0.7
197.05994	0.7
203.03383	0.5
209.06007	0.7
211.03882	0.7
212.04695	0.4
213.05539	0.4
216.04176	0.4
217.04971	0.8
223.04539	0.6
225.05528	1.8
226.06180	0.4
227.03285	0.5
231.54796	0.5
233.08321	0.8
241.05014	1.9
242.05719	0.5
243.06618	0.5
251.09361	0.9
253.05054	3.5
254.05815	1.7
255.02992	0.5
266.20120	0.4
269.04517	4.8
270.05219	2.5
271.05930	0.7
281.04456	1.3
284.03247	0.9
285.03989	0.6
297.03998	9.0
297.07266	0.7
298.04700	7.8
299.05490	4.6
330.03778	9.9
331.04239	1.0
335.05536	0.6
336.06378	0.9
341.10199	1.7
351.08575	2.4
369.09723	100.0
370.10056	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	369.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77507	0.2
52.58207	0.2
57.03318	0.3
59.01250	1.7
65.00198	0.2
67.01752	0.6
69.99920	0.3
70.00330	0.7
71.01257	0.5
73.02797	0.2
83.01265	0.3
85.02822	0.8
87.00749	0.2
87.68307	0.2
91.01786	0.4
93.03331	0.8
96.95907	0.2
98.20573	0.2
107.04937	0.3
109.02834	1.2
114.81573	0.2
119.04905	0.3
121.02845	1.2
133.02840	2.7
135.04385	0.4
139.03947	0.3
147.00740	0.2
147.04430	0.4
148.01556	0.7
149.02335	1.2
149.05948	0.3
151.03864	0.3
157.02911	0.3
159.04391	0.4
160.01566	0.3
161.02316	0.4
163.00298	0.3
173.02319	0.3
175.03923	0.6
177.01866	2.0
187.11240	0.2
188.01094	1.8
189.01848	0.5
195.08052	0.2
197.06058	0.4
198.03058	0.2
199.03888	0.5
201.01863	5.0
202.02649	3.4
203.03412	2.3
204.03854	0.3
209.06041	0.3
211.03966	0.4
211.07605	0.3
215.03416	0.3
217.04886	0.3
221.05952	0.4
222.06747	0.4
223.04390	0.4
224.04761	0.4
225.05501	0.7
227.03410	0.5
235.06099	0.5
237.05486	1.0
238.06163	0.3
239.03365	0.3
239.07091	0.6
241.05005	0.8
242.05740	0.2
243.02783	0.2
243.06479	0.5
253.04987	1.1
254.05658	0.2
255.02980	0.2
255.06546	1.0
260.06863	0.4
261.07669	0.9
265.04907	0.9
266.05740	0.3
267.02954	0.3
267.06683	0.6
268.03745	0.5
269.04562	0.5
277.08511	0.3
281.04550	0.8
282.05334	0.4
283.06082	2.6
284.03226	1.1
285.03998	2.4
288.65598	0.2
293.04514	1.3
294.05090	0.4
297.03989	1.8
298.04736	0.6
309.04016	6.2
310.04782	3.9
311.05579	21.3
312.05878	2.0
323.09100	0.4
327.08795	0.6
333.07602	0.6
351.08682	3.9
352.09357	2.1
354.07483	0.5
369.09750	100.0
370.10095	10.6
382.33322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79576	0.1
55.01759	0.2
57.03323	0.2
59.01255	1.4
60.58783	0.2
65.00199	0.2
67.01785	0.2
70.14906	0.3
70.15325	0.5
75.29942	0.1
75.80565	0.1
77.03851	0.6
79.01775	0.5
85.02818	0.6
89.02380	0.2
93.03337	0.6
97.02840	0.4
99.56259	0.2
105.03345	1.3
105.06909	0.2
107.04899	0.2
108.02039	0.4
109.02853	0.6
111.00735	0.2
113.20679	0.2
119.04935	0.2
121.02844	2.2
122.03602	0.2
123.00710	0.2
123.04391	0.6
133.02840	1.1
135.04405	0.6
136.01573	0.7
137.02327	0.3
139.03929	0.4
143.04956	0.2
145.02873	0.4
146.03596	0.4
147.00856	0.2
147.04413	0.9
148.01546	2.3
149.02348	5.8
151.03885	0.6
153.01804	0.2
155.08557	0.2
157.06543	0.2
159.04405	0.4
160.01572	0.2
161.02322	0.7
162.03070	0.2
163.00302	0.3
165.01826	1.4
167.03438	0.6
169.06514	0.2
171.04445	0.4
171.08057	0.5
172.05104	0.2
173.06023	0.4
174.03036	0.2
175.03911	0.9
177.01845	0.4
181.06505	0.5
183.04433	0.4
183.08093	0.5
184.05199	0.6
185.06027	0.4
187.03928	0.5
188.01060	0.4
188.04620	0.2
189.01865	0.9
189.05675	0.2
190.02663	1.0
191.03429	1.3
195.04469	0.2
196.05220	0.5
197.06023	1.3
198.03041	0.2
198.06680	0.2
199.03940	0.9
199.07576	1.3
200.04617	0.2
201.01941	0.3
203.03313	0.3
203.07042	0.4
209.06009	1.5
210.06717	0.7
211.03917	1.0
211.07565	0.6
212.04787	0.8
213.05504	1.0
214.02527	0.3
214.06258	0.5
215.03476	0.4
215.06967	0.3
216.04099	0.3
217.04977	0.2
223.04257	0.3
224.04720	0.3
225.05533	2.6
226.06245	1.2
227.03410	0.5
227.07111	1.1
228.04160	0.6
229.05052	0.5
231.06741	0.3
237.05569	0.6
238.06256	0.2
239.03427	0.5
240.04184	0.7
241.05020	3.4
242.05804	1.0
243.02927	0.3
243.06593	5.0
244.07056	0.3
251.37502	0.2
252.04269	0.3
253.05043	3.1
254.05811	1.9
255.02991	0.3
255.06529	0.8
256.03790	1.5
257.04385	0.4
268.03857	0.3
269.04544	5.3
270.05273	3.0
271.03116	0.3
271.06113	6.8
272.06424	0.6
277.08719	0.4
281.04526	1.2
282.05136	0.5
283.02594	0.2
284.03204	0.5
285.03946	1.1
286.04660	0.2
297.04044	10.2
298.01337	0.3
298.04779	8.1
299.05597	68.9
300.05954	6.1
305.08237	0.3
311.05594	0.5
323.09106	0.6
329.59589	0.2
330.03809	15.2
331.04181	1.2
333.07703	1.5
335.05746	0.3
351.08731	9.9
352.09177	1.2
367.08249	0.4
369.09766	100.0
370.10110	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	4.4
57.03322	24.0
59.01241	3.1
67.01773	1.6
68.22662	0.9
69.67010	1.7
69.67420	4.9
71.01246	6.9
72.99161	1.3
73.02822	1.6
75.00751	2.5
83.01254	10.3
84.02039	2.0
85.02819	100.0
86.03156	2.0
87.00742	1.2
87.81329	1.0
89.92963	1.2
94.05405	1.0
96.66008	1.0
101.02316	5.0
111.00755	30.5
119.04915	8.8
129.01825	35.8
134.03662	2.7
135.04156	1.0
136.46161	1.0
143.03322	1.2
145.02911	1.4
155.48003	1.1
161.04448	2.5
163.03914	8.7
187.02356	1.3
189.05389	1.1
191.05560	2.0
202.60936	1.1
205.03456	20.0
206.03905	1.6
223.04529	34.9
234.93376	1.0
363.84314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.9
57.03319	11.8
59.01247	2.3
67.57919	0.9
70.34775	3.2
71.01249	5.9
71.23181	1.1
72.99164	1.4
75.00744	2.6
79.04282	1.0
81.51692	1.0
83.01259	7.2
85.02820	77.2
86.03160	2.0
93.03333	2.8
101.02332	5.5
111.00762	26.0
111.01468	2.0
114.49999	1.1
119.04900	6.7
119.91132	1.1
123.04396	1.1
126.09616	1.0
129.01826	28.8
130.02203	1.1
133.02916	1.9
145.02870	1.2
147.02905	2.4
151.03882	1.7
161.04451	2.4
163.03905	4.9
173.04486	6.6
177.01903	1.8
187.02426	2.1
191.04028	1.2
191.05568	6.5
193.05022	1.4
195.02922	2.4
205.03464	30.9
209.97287	1.0
223.04538	100.0
224.04904	2.7
252.57478	1.2
338.03476	1.0
369.08252	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10130	0.7
52.50217	0.7
55.01760	4.4
57.03323	17.2
59.01250	6.7
60.93870	0.6
67.01762	1.1
68.99671	1.0
71.01244	7.8
71.35171	1.5
72.99187	2.0
73.02792	2.3
75.00753	3.6
83.01257	11.1
84.02039	2.8
85.02818	99.9
86.03114	1.3
87.00741	3.0
88.01510	0.7
88.15794	0.6
93.03314	1.3
99.00764	1.0
101.02322	10.2
103.00227	0.9
103.03846	1.2
111.00758	35.9
112.00987	0.7
113.45953	0.7
119.04907	7.8
125.02311	0.8
129.01828	29.8
133.04977	0.7
143.03384	0.9
147.00769	0.9
147.02885	3.5
161.04437	2.1
163.03894	6.2
165.05438	1.7
173.04425	1.3
187.02396	2.4
191.05499	1.8
194.76384	0.7
205.03465	34.9
206.03831	1.3
223.04529	100.0
224.04848	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95930	1.1
57.03312	4.5
59.01247	2.4
60.99168	1.6
64.55482	1.0
66.96023	1.0
67.01758	4.7
69.03304	2.2
69.71629	6.5
71.01260	3.1
81.03307	1.5
83.01250	1.3
85.02819	20.3
87.00758	8.2
93.03331	30.5
94.03628	1.0
95.04890	1.4
99.00763	1.9
101.02368	1.1
101.12741	1.3
101.43292	1.0
105.03355	1.6
107.04893	1.3
109.02850	2.8
111.00747	4.7
111.04372	5.1
121.02810	1.6
122.03594	1.9
123.04414	27.8
127.03890	1.9
129.01837	5.4
129.88844	1.0
133.02850	14.9
139.03902	1.0
149.02304	2.5
151.03891	2.0
155.03296	1.2
165.98795	0.9
168.90115	0.9
173.04469	33.8
175.09207	1.0
177.01842	10.1
191.05545	100.0
192.05891	6.1
194.02145	1.1
195.02943	12.5
205.03508	2.7
215.05502	2.1
223.04588	7.7
276.02905	1.0
297.89529	1.1
300.63065	1.0
351.07132	2.9
369.08255	24.1
370.08533	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17664	1.0
55.01749	3.5
56.34111	1.0
57.03323	23.0
59.01255	3.6
60.47850	1.1
60.99163	1.3
67.01758	5.6
70.38919	0.9
71.01250	9.1
71.34670	2.5
72.06342	0.9
72.99184	2.8
73.02834	2.7
75.00745	2.7
80.97339	0.9
81.03326	2.2
83.01250	12.2
84.02061	1.8
85.02821	100.0
86.03152	2.1
87.00748	6.3
93.03328	23.3
93.03910	1.6
93.55662	1.1
99.00760	1.9
101.02316	5.0
105.03369	1.6
109.02847	1.7
111.00762	29.1
111.04403	3.6
113.54993	1.0
119.04921	11.8
121.02877	1.3
122.03597	1.8
123.04433	17.2
125.02328	2.8
127.03907	1.4
129.01820	31.7
133.02841	10.1
135.04407	2.0
139.03835	1.2
145.02866	2.1
147.00755	1.6
147.02934	1.2
149.02365	3.1
151.03920	3.0
155.03285	1.1
161.04507	3.1
163.03900	4.8
173.04437	15.2
173.05817	1.5
177.01849	4.6
187.02483	1.7
191.05531	51.9
192.05869	2.7
195.02951	6.7
195.04431	1.1
205.03453	18.4
223.04536	30.6
224.04996	1.4
230.90289	1.1
351.07092	2.1
369.08194	8.4
375.40903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75493	0.4
57.03312	0.6
59.01247	8.9
63.34066	0.4
71.01233	1.0
71.57500	0.7
72.99176	0.8
83.23559	0.4
83.93722	0.5
89.02300	2.5
91.03873	11.6
95.04882	0.5
96.95872	0.5
101.24755	0.5
111.08029	1.0
121.02798	1.8
133.02817	1.8
134.03670	0.7
144.67668	0.5
145.02751	0.6
148.01593	0.8
149.02295	1.4
160.01587	2.3
164.94019	0.7
171.10088	0.7
175.00337	2.8
179.14275	1.2
188.01073	10.4
189.01755	1.6
192.95787	3.4
195.13852	5.9
196.14073	0.5
197.06120	0.7
200.01089	4.9
201.01848	5.1
205.12236	1.1
205.15906	0.6
208.93016	1.7
209.04333	0.5
213.56982	0.5
217.00246	0.9
223.13329	4.5
225.05544	2.1
227.03244	0.5
237.05408	1.2
239.03366	0.5
240.04129	0.8
241.05013	1.0
243.06454	0.7
253.04968	3.9
256.13141	1.6
263.03723	0.7
264.04370	0.6
265.05045	1.9
267.02841	1.1
269.04520	2.0
275.20184	5.7
280.03589	0.9
281.04544	2.8
284.03268	1.0
291.02890	0.8
293.21201	80.6
294.21588	9.1
296.03296	0.5
297.03967	7.9
298.04260	1.4
308.03195	1.0
309.04016	88.0
310.04340	9.6
311.05554	0.5
312.06424	0.6
319.06195	0.5
323.05466	0.9
335.09161	0.9
337.07114	2.3
344.05408	1.4
351.08658	2.6
352.09473	42.8
353.09851	6.2
367.11819	100.0
368.12122	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	367.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.6
58.04939	0.3
59.01245	8.2
69.03320	0.6
70.59772	1.2
71.01230	1.5
72.99161	0.4
79.20464	0.4
83.04887	0.5
84.23846	0.4
89.02308	3.2
91.03875	14.5
92.04207	0.5
93.89532	0.5
95.04881	0.4
97.02813	1.4
98.14113	0.4
111.08073	0.5
121.02834	0.6
125.06016	0.5
145.09605	0.4
164.93910	0.4
167.10625	0.4
174.99129	0.4
176.79086	0.4
178.38712	0.4
179.14294	0.9
192.95772	1.0
195.12048	0.5
195.13826	8.2
196.14360	0.8
205.12343	0.5
205.15881	0.7
208.93106	0.7
217.00177	0.6
223.13318	5.6
228.13641	1.4
231.21106	0.5
235.11760	0.4
256.13174	1.8
261.11047	2.4
262.11798	5.2
263.12314	0.4
275.20154	5.7
276.20438	0.6
291.19485	0.8
293.21207	100.0
294.11075	0.6
294.21548	9.1
298.08063	0.9
309.20627	1.1
331.18848	4.0
332.19327	0.7
363.31500	0.4
367.11835	0.9
384.41949	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1651
Annotation	Polyneuridine-N-oxide
Peak:m/z	Relative Intensity
59.01249	38.9
65.64299	3.0
71.01262	4.4
71.57587	4.0
89.02359	4.3
96.95914	5.0
111.08025	10.6
117.69801	3.5
119.03538	3.5
121.02814	10.6
149.99525	8.7
164.94031	4.0
183.02850	4.7
190.96443	4.1
192.95815	21.3
197.11745	38.9
201.09122	39.8
202.24614	3.7
202.98732	5.4
208.93053	15.3
211.13472	4.1
217.00279	16.3
219.09938	6.5
220.44167	3.8
269.07956	18.3
291.19592	7.2
301.13324	4.1
306.79279	3.7
307.17853	4.3
309.20670	29.8
352.09320	4.6
367.11725	26.7
367.16431	100.0
368.16705	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	367.1185
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
51.30896	0.2
54.78088	0.2
55.79447	0.2
59.01255	1.2
67.64573	0.2
71.07734	0.5
86.07838	0.2
108.01991	0.3
111.59933	0.2
113.93514	0.2
121.02831	1.7
129.06926	0.2
131.01286	0.4
133.02840	1.4
147.00789	0.3
148.01561	0.6
149.02336	0.9
160.01537	1.7
161.02301	0.3
163.00229	0.5
172.01570	0.3
173.02345	0.3
175.00279	2.1
188.01089	7.9
189.01761	1.2
192.95834	0.3
193.06517	0.3
199.03981	0.3
200.01106	4.4
201.01878	5.1
202.02274	0.3
209.06071	0.6
211.03908	0.4
223.03918	0.3
225.05502	1.1
227.03481	0.6
228.04120	0.4
235.03998	0.6
237.05496	1.2
239.03395	0.5
241.05037	0.7
243.06554	1.2
252.04327	0.4
253.05006	2.8
263.03543	0.9
264.04184	0.7
265.05087	2.1
266.02289	0.3
267.03015	1.2
269.04587	0.8
279.03094	0.4
280.03683	0.8
281.04633	2.4
282.04898	0.4
284.03241	0.4
291.03003	0.5
292.03757	0.6
296.03192	0.4
297.04028	6.3
298.04257	0.5
308.03381	0.9
309.04041	77.1
310.04358	7.1
311.05820	0.3
323.05588	0.4
323.09216	0.5
333.07855	0.4
335.09232	0.9
337.07104	1.8
351.08612	2.2
352.09497	37.4
353.09906	3.9
367.11844	100.0
368.12180	12.0
386.35800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1183
Annotation	Cyclointegrin
Peak:m/z	Relative Intensity
55.39780	0.5
59.01241	2.2
68.63722	0.5
70.61729	0.5
71.01235	0.6
82.35765	0.5
85.02820	0.8
93.03336	0.7
96.95889	1.8
98.10717	0.5
98.20525	1.9
101.02338	0.5
102.60375	0.6
121.02825	1.8
131.01227	0.9
133.02821	2.7
146.84505	0.5
148.01584	0.9
149.02345	1.7
160.01576	2.7
171.04359	1.0
171.12770	0.6
175.00316	3.5
188.01073	9.4
189.01741	1.7
197.06038	0.6
199.03886	0.7
200.01045	5.1
201.01830	6.8
207.04538	0.6
209.06033	0.8
215.03481	1.2
219.10373	1.0
222.03336	0.6
225.05479	1.8
237.05505	2.0
240.04294	1.2
241.04967	2.4
243.06602	1.2
252.04227	0.7
253.05017	4.1
258.05194	1.0
259.05829	0.6
263.03357	0.6
264.04138	0.7
265.05002	2.3
266.02225	0.6
267.02957	1.2
268.03494	0.7
269.04501	2.5
280.03738	1.1
281.04495	4.2
284.03214	0.7
291.03012	0.6
292.03690	0.9
296.03305	1.1
297.04025	9.5
298.04269	1.4
305.08157	0.9
308.03159	1.3
309.04022	99.7
310.04385	9.7
321.07617	0.9
335.09048	0.8
337.07169	2.2
339.08624	0.8
349.07108	7.4
350.07553	0.9
351.08768	3.0
352.09476	60.4
353.09793	7.2
367.08026	32.0
367.11865	100.0
368.08319	4.4
368.12207	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	367.1181
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
62.73125	0.5
70.91364	0.4
110.36712	0.6
116.11093	0.4
121.02828	1.5
131.01180	0.6
133.02832	1.3
148.01576	1.0
149.02321	1.2
160.01517	2.2
161.02243	0.5
175.00262	2.8
188.01041	9.5
189.01617	0.9
200.01070	3.8
201.01884	4.8
209.06000	0.9
224.04800	0.4
225.05400	1.4
235.03996	1.1
237.05403	0.5
241.05090	0.6
243.06357	0.9
253.04968	4.0
263.03436	0.6
265.04868	1.4
267.02957	1.3
269.04565	0.8
275.67471	0.6
279.02832	1.1
280.03668	0.7
281.04526	2.3
284.03253	0.8
291.02856	0.5
297.04053	8.6
298.04599	0.7
308.03302	0.8
309.04016	92.4
310.04349	7.8
319.05652	0.6
337.07135	1.5
351.08575	2.6
352.09470	55.8
353.09821	5.7
367.11816	100.0
368.12155	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	367.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.1
57.01921	0.2
57.03323	1.9
59.01248	6.2
60.99162	0.5
65.35202	0.2
67.01768	1.2
68.99690	0.3
69.03323	0.9
71.01251	17.9
71.04890	0.5
71.58396	0.3
72.99190	0.5
73.02817	2.5
75.54748	0.2
81.03337	0.6
83.01247	1.6
83.04903	0.6
85.02824	19.4
86.03155	0.3
87.00742	3.2
89.02326	1.6
93.03334	7.8
95.01266	3.5
97.02835	0.5
99.00755	1.4
99.04383	0.5
101.02314	2.5
103.52123	0.2
103.73782	0.3
109.02824	1.1
109.06461	0.4
111.00779	0.9
111.04387	2.3
113.02328	12.5
113.05933	0.2
114.02625	0.3
117.03346	0.5
119.04925	0.2
122.11783	0.2
123.07999	0.4
125.02343	0.5
127.03911	2.2
129.01828	0.6
133.02864	0.2
134.03632	4.6
136.05186	2.4
137.02361	0.3
138.06752	2.1
143.03358	0.3
143.22812	0.2
149.02341	0.4
149.05980	0.2
149.52039	0.2
151.07555	2.2
152.08340	12.3
153.09125	11.1
154.09474	0.5
155.03358	0.5
161.04489	0.9
161.09641	0.6
163.03966	0.4
163.11179	0.9
165.09129	0.9
171.02940	0.5
173.00726	0.3
173.04477	2.9
175.03960	0.3
179.10770	0.4
187.11220	0.5
189.09171	0.6
190.09982	1.2
191.05545	100.0
192.05891	3.6
193.04976	2.0
194.05232	0.2
205.05043	0.4
205.12283	11.7
206.12639	0.6
223.13374	1.0
367.10522	1.4
367.17609	3.2
368.17542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1033
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
57.03320	0.7
59.01250	2.3
60.99174	0.9
67.01762	4.4
69.03324	1.6
69.54569	1.9
69.54989	1.2
71.01261	3.1
79.86131	0.4
81.03328	1.4
83.04891	1.4
85.02820	5.3
87.00751	7.6
89.03868	0.9
92.15891	0.4
93.03329	32.3
94.03655	0.8
99.00762	0.8
99.04382	0.8
101.02294	0.6
109.02833	0.7
111.00779	1.0
111.04398	6.1
113.02342	0.6
117.03354	1.7
127.03852	1.3
129.01839	0.9
134.03630	17.9
137.02335	1.2
138.71286	0.3
146.37375	0.4
149.05992	1.6
155.03404	2.4
173.04460	40.6
174.04794	1.3
175.03868	0.5
191.05528	100.0
192.05853	4.3
193.01245	0.7
193.04984	10.6
194.05229	0.8
262.43536	0.4
298.84000	0.6
328.58240	0.4
367.10242	5.2
368.10767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
59.01239	1.1
66.47007	0.6
69.66920	3.2
69.67333	1.3
71.01254	0.7
75.20971	0.6
83.04858	0.6
85.02811	1.4
87.00711	0.7
89.03819	1.1
93.03320	3.0
108.10389	0.6
111.04386	1.6
117.03332	5.3
134.03622	64.4
135.03929	3.3
137.02373	0.7
149.05997	6.7
150.06380	0.7
155.03387	2.5
173.04489	6.8
191.05519	11.4
193.04980	100.0
194.05322	5.3
202.41098	0.6
331.55060	0.6
352.21710	0.6
367.10391	6.7
368.10776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05536	0.6
58.24112	0.5
59.01253	5.0
60.34895	0.6
61.21844	0.5
65.00237	0.7
69.41072	1.5
69.41488	3.8
70.36896	0.7
71.01256	1.2
79.01781	1.5
96.95903	1.0
97.02832	0.7
105.03353	2.2
113.02364	0.6
117.03395	0.7
119.01268	7.7
121.02835	4.9
123.00697	0.7
132.02100	0.8
133.02861	1.2
135.00774	1.1
145.02838	1.3
148.01602	1.2
149.02376	1.3
160.01561	1.3
163.00250	5.3
163.03906	0.8
165.01865	3.1
167.03394	1.6
167.04739	0.6
169.06509	0.8
172.01636	0.7
173.06015	0.7
181.06526	1.3
181.48856	0.6
182.03647	1.3
183.04413	1.4
184.05223	1.2
185.06018	1.3
188.01114	3.2
192.95741	0.8
193.04979	0.7
195.04440	1.9
196.05106	1.5
197.05945	2.9
198.03111	0.7
199.03900	1.2
205.05093	0.9
208.93030	0.8
211.03969	3.8
212.04680	3.3
213.05426	1.2
217.00224	0.8
223.03973	3.1
224.04723	3.1
225.05498	2.9
226.02625	0.9
226.14355	0.8
226.65979	0.7
227.03326	0.8
239.03423	6.0
240.04141	4.1
241.04951	2.4
251.03430	1.7
252.04282	1.0
253.04961	1.6
267.02942	6.3
268.03702	13.7
269.04520	84.9
270.04871	6.0
281.04352	0.8
295.02377	1.8
296.03180	9.7
297.03973	10.1
298.04831	3.9
303.06531	1.1
307.10281	0.7
309.03925	4.1
314.65793	0.7
321.07654	9.5
328.02100	1.6
329.23239	2.4
339.08691	27.8
340.08984	2.7
349.07062	1.4
352.09436	2.3
367.08136	100.0
368.08575	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	366.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.3
59.48123	0.7
67.32376	0.8
68.06399	0.6
71.15845	1.2
77.83637	0.6
83.69531	0.5
92.22752	0.6
102.23326	0.6
104.04967	0.9
104.34035	0.6
119.04922	0.9
120.04469	1.3
121.02830	0.8
122.33022	0.5
130.06509	0.8
132.04425	1.5
146.06036	4.1
148.07574	47.4
149.07925	1.6
164.03444	0.6
178.94296	0.6
192.95708	0.7
208.92984	0.9
215.02475	0.6
225.54288	0.6
366.24344	100.0
367.24628	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	367.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39230	0.3
59.01253	2.3
69.38126	1.3
69.38551	1.1
72.99162	0.4
76.14772	0.3
93.03297	0.6
95.84141	0.3
96.95897	0.8
98.20486	0.6
115.05396	0.3
116.37090	0.3
119.01264	0.5
121.02833	2.6
131.01207	0.4
133.02843	2.5
148.01530	0.4
149.02318	1.1
164.94032	0.3
171.04425	1.8
172.01587	0.3
175.00298	1.1
177.59352	0.3
188.00992	0.4
190.02679	0.4
192.95694	0.4
197.06033	0.4
200.01117	1.9
201.01862	2.1
208.92999	0.5
212.04639	0.6
215.03445	3.8
223.04074	0.3
225.05443	0.4
233.04477	0.7
235.03920	0.5
237.05525	0.7
239.03458	0.7
240.04265	2.6
241.05003	4.7
243.02916	1.8
249.09152	0.5
251.03555	0.4
253.05043	1.6
258.05264	2.2
259.06006	2.5
263.03415	0.6
263.07300	0.3
265.05075	1.6
265.07785	0.3
267.02866	0.5
268.03702	0.5
269.04547	2.9
275.07147	0.6
277.08685	1.1
279.02942	0.4
280.03745	0.4
281.04559	1.6
291.03125	0.6
291.06610	0.3
292.03653	0.4
293.08234	2.1
296.03549	0.3
297.03967	0.4
303.06650	0.7
304.07324	0.6
305.08041	1.5
307.06042	0.7
308.03271	0.5
309.04037	15.2
309.07388	0.7
310.04401	1.4
316.09241	0.4
320.06955	0.3
321.07703	1.2
325.07138	0.5
332.06827	0.3
339.08661	1.6
348.06232	0.6
349.07153	17.9
350.07520	2.0
351.05020	1.0
352.05719	2.0
352.09613	0.7
367.08163	100.0
368.08502	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	365.2693
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
50.95496	0.4
59.01248	4.8
68.55486	0.4
71.04904	0.6
71.57550	0.7
71.57943	0.5
83.04903	0.7
99.77573	0.4
101.02316	0.5
137.05940	0.5
153.12712	0.8
155.14255	0.6
163.11169	0.6
165.12779	2.6
178.11461	0.4
181.12259	1.8
183.14481	0.4
199.13322	31.0
200.13640	2.4
201.02408	0.9
219.17522	0.5
283.26230	0.5
291.19781	0.5
347.25894	4.8
348.26154	1.0
363.25449	0.5
365.26926	100.0
366.27267	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	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01247	3.0
70.06424	0.5
71.01251	0.6
74.19247	0.5
79.36156	0.4
80.92349	0.4
85.06460	3.0
89.02310	0.8
98.20554	1.0
101.02317	0.5
119.03360	0.6
138.14240	0.4
157.56509	0.4
164.50507	0.4
172.61276	0.4
199.13312	1.5
219.17519	0.7
251.20129	0.5
261.18585	0.8
279.19647	19.4
280.19946	1.4
283.26474	0.9
338.34821	0.4
347.25909	6.5
348.26071	0.6
363.25400	0.5
365.26938	100.0
366.27322	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	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.5
59.01245	5.3
71.01242	0.4
83.04880	0.9
91.03873	0.5
95.04874	0.8
109.06449	0.8
111.08028	11.9
112.08372	0.6
113.09615	0.6
137.09578	0.9
139.11113	0.5
142.01309	0.3
149.09596	0.9
155.10651	0.4
167.10692	2.4
177.12758	2.6
179.10713	2.2
193.15897	0.4
195.13831	8.3
196.14105	0.6
201.02573	0.5
203.14363	0.5
247.20686	2.6
248.20879	0.4
273.18600	1.4
291.19632	100.0
292.19962	9.1
365.23407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.7
59.01247	5.5
63.19654	0.4
69.57014	2.9
83.04906	0.6
89.02311	0.4
91.03886	0.6
95.04917	0.6
109.06474	0.5
111.08038	10.9
113.09623	0.7
121.10110	1.3
123.07964	0.5
125.09594	0.4
135.11717	0.4
137.09566	0.6
149.09671	0.8
167.10646	2.5
177.12756	2.8
179.10687	1.9
185.11746	1.2
195.12088	0.4
195.13831	7.5
201.02432	0.8
203.14383	0.7
209.11772	1.0
247.20578	2.6
273.18646	1.7
289.18115	0.6
291.19644	100.0
292.19965	9.6
344.16620	0.4
347.62320	0.4
365.14896	1.3
365.23328	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47382	0.4
57.02180	0.4
59.01249	100.0
60.01577	1.8
69.33558	2.6
69.33974	1.4
70.76930	0.4
70.99361	0.4
211.76654	0.4
265.07852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.7
56.27059	0.5
58.19209	0.5
59.01252	15.7
60.99181	0.5
64.40948	0.4
67.01757	1.1
69.03326	64.0
70.03656	1.3
70.12513	2.6
71.00887	0.9
71.01253	10.6
72.99183	2.7
73.02810	2.1
75.00753	0.5
79.01773	1.2
83.01271	1.4
84.29487	0.4
85.02823	4.1
87.00742	2.4
89.02312	2.4
93.03311	1.0
93.13090	0.5
95.01217	2.9
97.02828	28.1
98.03170	0.8
98.19859	0.7
99.00761	14.7
101.02325	4.1
101.05972	0.7
111.00777	1.7
113.02344	3.2
115.00253	1.9
119.03391	2.0
123.00754	1.0
125.02312	0.5
129.01825	1.2
131.03453	0.5
133.02859	1.7
134.03638	0.7
135.04417	25.4
136.04776	0.9
137.02321	0.9
141.01831	7.0
159.02945	0.7
161.04485	1.2
163.75992	0.5
170.43512	0.5
173.04456	1.0
179.03423	20.2
180.03873	0.8
185.00841	22.7
186.01164	0.8
191.05565	2.2
203.01907	100.0
204.02232	3.4
213.23303	0.5
222.07437	0.5
246.04776	0.5
296.47348	0.6
305.16058	1.4
327.07117	0.6
365.05081	1.0
365.14011	1.8
365.18246	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	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81162	0.9
59.01248	100.0
60.01586	1.3
60.23514	0.9
60.23825	1.0
69.40131	5.2
69.40549	3.2
85.02836	2.3
113.02283	1.1
125.52186	0.9
127.07639	1.0
131.59787	1.0
134.11185	0.8
147.86978	1.1
165.03957	1.5
325.65668	1.1
363.16507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
65.85598	0.7
69.03333	1.3
71.01234	2.5
71.58841	1.0
73.02820	1.2
75.00739	1.1
85.02811	1.2
89.02338	1.1
94.64313	0.8
101.02339	1.7
106.53633	0.9
113.02327	1.5
135.04408	2.4
175.02411	0.8
179.03156	0.8
249.06197	1.1
299.96906	0.9
363.16785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	2.6
57.03320	6.3
58.00456	1.6
59.01250	36.4
63.52025	0.8
67.01758	1.6
68.99680	3.3
69.03322	14.6
71.01252	45.0
71.58287	1.0
72.99173	10.9
73.02825	5.0
75.00745	35.7
82.02858	6.6
83.01241	3.5
85.02820	53.7
86.03130	1.0
87.00745	19.9
88.10428	0.7
89.02309	13.0
91.03862	1.1
93.03313	3.3
95.01260	12.6
95.04884	2.0
96.95894	1.4
97.02834	4.0
99.00755	27.1
101.02312	3.0
103.00226	5.6
105.03314	0.9
109.02825	1.7
111.00771	2.8
113.02327	57.0
113.05962	73.3
114.02656	1.5
114.06290	1.9
115.00272	4.9
117.01827	6.5
123.04449	1.2
129.01813	5.6
131.03418	1.8
133.02814	6.2
135.04405	1.7
136.03922	4.2
139.00258	1.5
141.01825	1.1
149.04510	1.1
153.05510	0.9
157.01378	1.1
164.03438	6.8
173.04518	1.6
175.02397	4.3
177.01839	2.6
183.10216	0.8
185.00853	5.8
189.03882	1.3
191.05533	6.1
192.05829	1.3
194.04500	3.5
195.02922	1.2
195.05342	1.2
196.06081	2.9
205.07123	3.3
207.04984	1.5
223.04581	1.4
223.08174	1.8
231.02979	0.9
231.05060	5.2
244.09752	1.2
249.06122	53.5
250.06531	2.0
267.07193	100.0
268.07501	5.8
278.15692	1.0
287.10330	13.9
288.10797	1.3
319.87662	1.1
331.09274	6.3
331.12704	1.0
345.11737	2.2
363.12930	82.7
364.13361	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	361.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53047	1.5
59.01249	19.0
62.19743	1.5
64.04427	1.6
69.73929	5.1
69.74341	4.1
120.63651	1.5
136.97731	1.8
153.90572	1.5
163.25436	1.5
180.85823	1.5
229.40030	1.8
256.83072	1.8
279.23276	100.0
280.23773	8.0
361.23605	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	362.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17309	0.9
59.01249	100.0
68.18562	1.1
68.61829	0.9
69.34779	9.3
71.01250	2.3
85.02823	2.9
93.03341	4.2
96.46398	1.3
109.02850	1.8
119.04928	1.2
125.02372	1.3
135.04427	1.9
140.07072	76.5
141.07381	2.6
173.04482	3.2
191.05518	8.0
201.11179	1.5
343.22052	1.1
362.08908	1.4
362.14508	1.3
363.16559	1.8
384.06259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42664	0.5
56.56798	0.5
57.03310	0.5
59.01245	2.5
68.99683	0.7
69.68349	2.0
69.68764	1.2
70.40921	0.5
71.01244	1.3
73.02834	0.7
75.00733	0.7
78.43375	0.5
81.26381	0.5
85.02835	1.7
93.03357	1.5
94.06541	0.6
95.04916	1.3
98.19788	1.1
99.00734	1.0
101.02339	1.3
108.04408	0.8
110.05974	4.2
111.00746	0.6
116.04980	1.4
118.02826	0.6
118.06503	0.8
118.08878	0.5
119.03637	1.2
120.04416	1.2
121.05298	1.1
122.06004	15.3
124.03913	0.8
131.03598	0.8
132.04472	2.6
134.05975	0.8
135.04395	0.9
138.05571	0.7
139.05850	0.7
144.04431	3.6
145.05225	12.7
146.06015	9.0
147.03094	1.4
148.03926	3.1
152.03448	1.7
159.03194	4.0
160.03941	49.5
161.04723	23.1
162.05476	2.6
164.03424	2.0
173.04448	2.0
174.01865	0.5
175.02675	1.3
176.03427	12.1
177.04231	9.8
178.04927	0.9
188.03453	2.7
189.04234	69.0
190.04842	5.2
191.05554	2.8
192.02937	3.7
193.03717	16.8
203.05809	2.1
220.06070	1.1
221.03290	19.4
221.06837	21.6
222.03546	0.6
222.07228	1.2
223.04474	0.7
224.10791	0.6
231.11415	3.7
239.11717	0.6
243.11349	7.0
253.05899	8.0
255.11391	18.0
256.11606	1.3
267.11365	32.4
268.11658	2.3
271.10855	1.4
283.10971	3.1
285.09430	0.5
285.12402	3.4
299.10315	17.3
300.10794	1.4
301.11984	0.8
311.10364	43.6
312.10611	2.8
313.12106	0.8
329.11383	17.7
330.11588	1.3
331.12979	25.0
332.13208	2.0
343.12949	100.0
344.13260	8.9
361.09525	1.3
361.13998	24.3
362.14276	2.4
384.69156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66250	1.1
59.01244	5.9
65.09742	1.1
71.01250	4.1
71.58320	1.8
83.01272	1.7
85.02814	5.3
89.02381	1.1
93.03351	1.6
99.00741	1.6
100.03988	1.2
101.02279	1.6
110.05990	4.8
113.02264	1.9
116.04926	1.6
119.03505	1.6
121.05244	2.6
122.06008	15.4
132.04422	2.4
134.05968	1.4
135.04382	3.3
144.04465	4.4
145.05232	14.7
146.06038	10.9
147.03154	1.5
148.03929	3.3
151.03949	1.5
152.03398	1.7
159.03134	4.6
160.03935	66.5
161.04730	24.8
162.05350	2.9
164.03464	1.5
176.03404	12.1
177.04213	13.8
179.03326	1.4
188.03528	3.1
189.04237	82.9
190.04825	5.6
191.05524	5.0
192.02872	4.2
193.03722	20.3
196.57707	1.3
203.05806	2.4
221.03291	21.6
221.06844	24.0
231.11310	3.5
243.11333	5.3
253.05911	6.5
255.11366	20.5
256.11682	1.5
267.11368	31.8
268.11563	2.5
283.10867	4.4
285.12436	4.7
299.10361	16.6
311.10339	45.8
312.10446	3.1
323.06964	1.3
329.11377	14.8
331.12985	26.0
332.13342	2.3
343.12955	100.0
344.13269	9.2
361.10110	2.2
361.14099	26.0
362.14246	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	361.1292
Annotation	(3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan
Peak:m/z	Relative Intensity
59.01253	1.6
62.98731	0.3
65.03828	0.3
67.01746	0.5
70.15403	0.6
70.15813	1.0
87.04401	0.4
100.82537	0.3
108.02066	0.8
109.02826	2.5
109.99961	0.4
111.00761	1.0
113.02321	0.3
123.00760	0.9
124.01546	1.0
125.02359	0.3
136.01595	1.4
137.02338	100.0
138.02643	3.1
139.00322	0.8
139.03888	0.4
140.01039	8.8
149.02324	1.5
150.03101	2.5
151.00244	0.7
151.03903	3.3
152.01030	0.4
153.01822	0.7
154.02731	0.4
155.03400	5.3
161.02342	0.3
163.00313	0.3
163.03886	0.7
164.01077	1.2
165.05504	1.0
166.02609	0.3
167.03371	1.0
173.11646	0.3
174.99153	0.3
175.03935	0.8
177.01888	0.8
179.03418	3.0
185.05898	0.5
186.96666	0.3
187.03967	0.4
201.05305	0.3
202.92766	0.5
209.11809	0.3
211.03891	0.6
212.04739	0.7
215.03459	0.8
228.04367	0.3
229.05034	0.6
240.04265	0.4
255.03029	0.7
256.03790	1.1
257.04382	0.4
266.02188	0.5
273.04144	0.8
281.04572	0.4
283.02560	0.7
284.03268	2.2
285.03937	0.8
299.05548	3.3
299.96405	0.3
300.06155	0.7
301.03531	6.7
302.03830	0.4
315.08899	0.4
316.05865	8.1
317.06085	0.9
325.20157	0.6
331.08206	12.9
332.08582	0.9
346.10556	51.6
347.10898	4.3
361.09198	1.7
361.13028	3.0
362.13376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49387	0.2
57.03321	16.5
59.01241	1.0
61.08093	0.2
71.11712	0.3
71.12051	0.4
78.20049	0.2
81.03323	3.2
83.01251	11.1
98.10446	0.3
100.31260	0.2
102.53416	0.3
122.03609	0.3
124.01559	1.3
124.72810	0.2
125.02328	100.0
126.02663	2.8
126.11990	0.2
127.42659	0.2
136.85825	0.3
139.00258	1.0
146.84351	0.3
150.02991	0.3
151.00273	0.3
153.01816	0.5
177.01831	0.7
178.02560	0.6
190.99773	0.6
201.01846	0.8
202.98584	0.4
206.02199	0.4
221.04527	1.8
236.06889	0.3
241.79837	0.3
260.53510	0.3
297.00421	1.8
329.02936	0.4
347.07782	1.6
361.09241	11.4
362.09708	1.2
374.38458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.5
58.21635	0.2
58.72958	0.2
59.01248	2.0
59.60152	0.2
69.03304	0.4
70.06977	0.3
70.07378	0.6
72.93439	0.2
85.06480	0.3
108.75037	0.2
118.27182	0.2
134.30707	0.2
134.62206	0.2
138.84439	0.2
151.23615	0.2
164.09961	0.2
174.99191	0.5
181.08636	0.3
217.00227	1.4
223.53668	0.2
227.16476	0.8
267.23022	0.2
271.22662	0.4
295.22723	0.3
311.22311	0.6
311.25864	1.2
313.20187	0.4
313.23831	7.6
314.24246	0.5
325.23877	0.3
339.25394	0.3
341.26773	1.5
344.36301	0.2
357.26404	0.9
359.27988	100.0
360.28339	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	361.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.5
65.00194	4.2
66.08005	0.6
68.99671	1.1
69.30300	6.1
71.01287	0.7
72.99180	1.4
76.40050	0.7
83.01211	0.7
85.95406	0.7
96.99197	0.7
100.72362	0.6
101.02302	0.9
109.99985	31.2
111.00814	8.4
111.29148	0.7
123.00783	4.7
124.01569	1.6
124.98685	1.3
125.02316	1.3
136.98734	4.8
136.99608	0.7
137.02328	2.0
137.99524	3.5
139.00276	25.9
141.98943	1.7
150.03152	1.7
151.00212	0.9
152.01064	3.7
153.01826	3.0
154.02618	1.9
164.01096	0.9
164.98167	1.8
165.05492	1.8
165.98999	32.5
166.99728	3.6
178.99780	5.2
181.01335	4.7
187.58362	0.6
188.04660	0.7
189.05618	0.7
190.02655	0.7
191.07051	0.8
193.01347	0.8
213.05571	0.6
216.04109	1.5
221.67946	0.6
227.03467	0.7
229.01462	0.7
232.47762	0.6
242.02214	0.7
243.06516	0.9
244.03705	2.3
259.06094	2.1
271.02475	0.8
272.03317	1.1
285.04007	2.0
287.05569	2.9
288.02768	2.4
288.05832	0.7
303.05188	5.9
313.03702	1.5
315.05124	1.8
316.02133	3.5
318.07510	1.3
328.05746	0.9
331.04593	11.5
331.08237	1.1
345.06030	1.2
346.06921	45.4
347.07269	3.5
361.09283	100.0
361.29565	1.1
362.09598	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	359.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13754	0.2
54.14013	0.2
57.03328	1.8
59.01254	0.9
69.03305	0.4
69.41596	1.0
69.41999	0.3
71.01243	0.2
71.04890	0.4
97.06470	0.6
121.02880	0.2
125.09602	0.4
127.11178	0.7
141.12819	0.9
143.96884	0.2
157.12285	0.4
169.12268	0.2
171.10129	0.2
176.93756	0.2
183.13849	0.3
190.74812	0.2
217.00211	0.2
267.23135	0.4
271.22830	0.5
295.22852	0.6
299.25882	0.3
305.24838	0.2
311.22446	0.3
311.25943	1.1
313.23868	6.8
314.24216	0.6
323.25998	0.4
325.24139	0.2
329.02963	0.2
341.26907	1.8
344.05396	0.2
345.27280	0.2
357.26462	0.7
358.94339	0.3
359.28027	100.0
360.28403	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	359.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	11.6
59.01249	5.6
69.03324	1.9
70.87878	1.7
71.01249	0.9
71.04898	1.1
73.02777	0.6
74.49288	0.5
83.04902	0.8
85.06455	1.2
87.04387	0.6
97.06454	0.8
99.08044	2.7
109.02854	0.7
111.08011	3.1
113.09607	0.6
115.07528	0.8
125.02388	0.8
125.09608	1.3
127.11173	7.7
129.09091	1.3
131.27800	0.5
136.98715	0.6
137.09619	9.1
138.09850	0.5
141.12720	0.9
143.10670	1.9
151.11163	1.0
153.12732	4.0
155.10666	12.6
157.12262	3.9
164.98216	0.7
165.12718	1.1
166.06200	0.6
167.14359	0.8
169.06602	0.5
169.12204	4.1
170.32057	0.6
173.11748	0.7
183.13809	5.7
183.15337	0.8
197.15433	0.8
201.02461	0.6
201.14880	12.4
214.02631	0.6
215.16470	2.4
217.00208	1.6
219.65550	0.5
229.14368	1.9
229.17990	2.6
230.15164	4.7
251.20071	0.8
269.21222	2.4
286.01120	1.4
287.22260	2.3
295.22614	0.7
298.01154	2.6
299.26035	0.9
301.03610	0.8
313.23792	2.0
314.00732	1.4
315.25543	1.6
319.29395	0.7
329.03000	2.7
341.26996	1.5
344.05258	5.6
345.05753	1.0
357.26498	0.9
359.07748	6.0
359.27988	100.0
360.28342	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	359.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.2
58.98012	0.5
59.00988	0.8
59.01247	11.1
71.01254	0.9
71.37971	0.7
88.97511	0.6
89.74570	0.5
91.03883	0.9
111.50762	0.7
121.02815	0.7
137.26651	0.6
166.06241	1.5
174.99113	3.3
181.08598	0.8
185.01564	0.6
194.92738	1.6
194.95515	0.6
201.02504	3.3
217.00250	11.1
221.19153	0.7
223.20615	77.2
224.21001	6.1
241.21681	1.8
249.14873	0.7
267.19629	59.8
268.19891	4.7
285.20697	100.0
286.21033	7.4
359.24350	35.5
360.24661	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	359.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73756	0.6
59.00986	0.9
59.01249	11.3
71.01240	1.0
71.57956	1.1
85.02801	0.8
89.02300	0.6
91.03876	1.2
102.44623	0.6
109.06512	0.7
110.68279	0.7
166.06259	0.6
174.16039	0.6
174.99113	2.4
181.08595	0.7
194.92754	1.1
199.15933	0.7
201.02481	2.7
213.52307	0.7
217.00244	12.3
223.20613	80.1
224.20999	6.5
241.21756	1.3
267.19635	58.1
268.20029	5.0
278.70090	0.8
285.20697	100.0
286.21008	7.0
315.27213	0.7
325.17545	0.7
344.13049	0.9
359.24359	41.4
360.24686	3.7
365.58002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	24.4
71.01225	0.9
71.49650	1.2
76.45400	0.6
77.09441	0.6
78.29626	0.6
82.95631	0.7
98.20476	0.7
137.05911	0.8
155.10547	0.6
171.80296	0.8
172.92311	0.7
267.46204	0.7
277.21713	100.0
278.22076	9.5
280.83997	0.8
347.78214	0.8
359.21991	17.5
360.22491	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	359.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26985	0.8
59.01246	3.0
65.04568	0.8
69.03357	1.1
71.01263	1.1
71.59501	1.1
93.03362	0.9
101.02357	0.8
107.04919	1.8
108.02025	1.7
121.02837	2.0
121.06479	2.3
122.03677	1.3
123.04395	3.0
134.03604	1.2
135.04417	29.8
135.32455	0.8
137.02295	1.2
147.04343	0.9
149.02338	2.1
149.05974	9.8
150.03152	8.7
151.03938	1.4
160.03966	0.9
163.03915	2.2
164.04663	1.2
165.05562	3.7
166.02629	0.8
166.06041	0.8
176.03439	1.0
179.05493	1.1
179.07063	25.6
180.07843	69.0
181.08197	4.0
182.05780	2.2
194.05769	4.5
194.09401	3.6
195.10226	9.2
208.07358	15.8
212.06863	3.3
217.36763	0.8
221.08191	0.9
222.08900	2.5
223.09718	100.0
224.10031	5.0
225.68958	0.8
226.08342	5.5
235.09691	1.4
269.08176	2.0
283.09808	1.1
285.03970	0.9
299.09302	1.4
300.10056	2.6
311.09338	1.4
315.12473	1.8
316.13132	1.0
326.11627	2.5
331.15524	5.1
341.13943	1.2
359.11197	1.4
359.15015	12.9
359.19629	1.2
360.15649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39381	62.1
69.49187	60.3
71.57876	96.0
71.58244	66.2
111.00702	81.2
121.16349	64.7
186.17377	68.0
217.00241	72.9
315.23300	100.0
331.07144	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
51.35437	1.4
54.85743	1.5
57.03316	16.4
58.00468	2.6
58.33007	1.4
58.80099	1.6
59.00981	2.3
59.01247	25.0
62.84687	1.4
66.39610	1.5
69.03310	4.0
69.67649	7.2
69.68061	2.5
71.01232	2.9
71.04887	6.0
73.02835	1.5
75.00759	2.2
83.04881	2.1
85.02812	2.5
85.06450	3.7
87.00745	2.5
87.04384	9.7
91.01744	3.9
93.06961	4.3
97.06477	6.2
99.08015	9.9
101.02317	3.8
108.02048	4.9
109.02817	2.6
109.06442	1.6
111.08033	2.5
121.02838	51.6
121.06433	1.5
121.10104	9.0
123.08000	2.5
125.09617	4.3
127.07477	1.7
127.11197	7.7
129.09122	8.1
133.06483	11.1
135.00740	2.6
135.08025	1.9
136.07584	3.5
137.09612	1.8
139.11200	11.7
141.12723	2.9
143.10686	8.4
151.03903	10.5
151.11189	6.5
152.01054	2.9
153.01875	8.6
153.09091	2.9
153.12779	7.6
155.10684	5.3
157.12259	22.8
163.11119	3.7
165.12813	3.1
167.14223	2.7
169.12257	5.1
171.10086	2.4
171.13751	2.0
172.10983	2.8
173.11754	8.5
180.30922	1.7
181.06485	4.5
181.12234	3.8
183.13831	4.7
185.09886	1.4
185.11699	4.1
186.12520	9.1
187.13313	22.8
197.15465	2.3
199.13286	12.4
201.14848	12.3
221.11734	6.2
225.05383	2.6
227.16475	5.3
228.13576	4.2
253.21855	1.8
269.13965	2.0
297.24301	17.1
303.23105	3.7
309.24359	12.3
313.07190	4.2
313.27338	3.5
321.24283	13.6
327.01434	1.6
327.25305	4.1
339.25391	11.2
357.06085	9.8
357.13776	12.3
357.26428	100.0
358.13763	2.2
358.26706	10.4
381.90924	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71804	0.4
57.03319	4.8
59.01244	7.7
69.03320	1.0
69.35178	4.6
71.01243	1.3
71.04881	1.5
73.02819	0.9
75.91631	0.5
81.03357	0.4
83.01237	0.6
83.04891	0.8
85.02827	1.3
85.06466	0.5
87.04401	3.3
93.03321	0.4
95.01286	0.6
98.19780	1.0
99.00741	0.5
101.02309	0.5
108.02046	16.7
109.02859	6.8
111.08011	0.6
112.28568	0.4
113.02298	0.8
115.64040	0.4
125.09621	1.0
127.11159	0.9
131.01794	0.5
132.27185	0.4
134.83289	0.4
137.09628	3.7
141.12773	0.6
151.03906	1.1
152.01042	10.2
153.01852	4.1
171.10229	2.4
171.13834	1.1
199.13309	0.8
211.16980	0.5
219.06598	0.6
251.20119	2.5
256.03888	0.5
271.15018	0.5
279.23315	1.0
284.03326	1.0
285.04169	0.9
297.24353	2.5
299.05182	1.0
309.24231	2.5
311.25650	0.6
313.07217	0.8
315.07031	0.7
321.24344	0.6
325.23792	0.8
327.25336	18.9
328.25644	1.8
339.25333	3.0
342.03876	0.7
348.78671	0.6
355.24948	0.9
357.08276	9.5
357.13507	1.7
357.26422	100.0
358.08905	0.9
358.26755	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2644
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.08042	0.3
57.03321	1.4
59.01245	0.6
61.71616	0.2
71.04904	0.5
79.87302	0.2
80.48909	0.2
85.06481	0.3
87.04423	0.3
93.25757	0.3
95.04861	0.3
97.06464	0.4
97.36626	0.3
103.75555	0.2
121.02836	1.0
121.10126	0.3
123.08029	0.8
125.09603	2.4
127.11203	0.3
135.04436	0.3
141.12727	0.4
152.09851	0.3
185.11725	0.7
197.15456	0.5
199.13289	2.1
213.14966	0.3
217.85168	0.2
224.00710	0.2
241.52025	0.3
267.23221	0.9
297.24246	0.6
309.24326	1.0
311.22290	3.9
312.22778	0.4
325.23853	0.3
327.25354	4.9
339.25293	1.7
355.24615	0.4
357.26416	100.0
358.22263	0.6
358.26758	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33076	0.4
57.03317	1.0
59.01249	100.0
60.01586	1.0
64.64242	0.4
65.50005	0.5
69.03333	0.5
70.17469	0.4
71.01245	5.9
71.58127	0.8
73.02802	2.5
76.73877	0.5
83.01256	1.0
83.04897	0.6
85.02819	3.9
89.02336	0.7
89.41999	0.4
99.00761	0.9
101.02313	3.8
108.02065	1.3
109.02840	3.8
113.02325	2.9
125.09615	0.7
133.06532	0.7
135.04404	0.8
152.01035	0.6
161.04430	3.3
171.10167	0.6
175.07533	0.5
192.18927	0.6
219.06639	2.2
247.06061	2.6
315.18188	1.0
327.25485	0.8
357.09378	0.7
357.22623	1.3
357.26425	9.6
358.26791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23272	1.8
59.01248	100.0
63.44141	2.0
71.58275	2.2
71.58655	1.9
72.77757	1.8
82.48177	1.8
108.02067	1.9
109.02858	2.7
121.02841	25.9
131.83281	2.0
135.04449	2.1
143.60181	2.3
150.25084	2.1
151.03961	2.0
153.05415	2.0
221.67825	1.9
223.13477	4.8
313.07022	2.6
357.06082	4.9
357.13467	5.3
357.26569	15.0
358.06458	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	357.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.5
59.38388	0.2
63.66647	0.2
65.03829	6.3
67.01760	2.8
69.03336	0.3
69.49670	2.0
71.01252	0.7
74.02342	1.7
75.00717	0.5
75.53719	0.3
85.02856	0.4
87.00755	0.5
89.02271	0.3
91.01748	0.4
93.03331	0.5
98.02351	1.1
99.00760	0.4
99.07873	0.3
100.73439	0.3
101.02294	0.6
108.02056	0.3
109.02830	100.0
110.03156	2.3
123.04379	0.6
133.02879	0.5
134.03621	0.5
135.00769	4.5
151.03882	1.0
153.01833	65.1
154.02199	2.2
163.03786	0.3
181.53981	0.3
185.00871	0.3
191.05521	0.9
194.05438	0.3
195.02774	0.4
195.05156	0.4
261.82782	0.3
269.11429	1.1
313.14310	0.3
357.08240	13.1
358.08578	1.2
358.16153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1554
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
54.14455	0.6
57.03326	4.7
59.01251	15.3
64.98310	0.6
67.55967	0.6
69.03326	14.4
70.18527	0.6
71.01247	9.9
71.04889	3.6
71.57156	0.9
72.99169	0.8
73.02806	2.1
75.00731	1.9
81.03358	1.0
83.01240	1.2
83.04890	1.4
85.02832	3.9
85.03275	0.7
87.00768	1.2
89.02322	6.1
93.03336	6.1
97.02849	1.3
99.00767	1.0
101.02321	5.0
108.02069	1.2
109.02800	1.6
111.04393	3.5
111.08057	3.9
113.02299	3.5
113.05959	1.3
115.19817	0.5
119.03397	3.0
119.04909	1.4
121.02824	0.7
123.00829	0.8
123.04393	2.2
123.08069	1.4
125.02361	0.8
129.01787	0.8
133.02846	1.4
134.03613	1.9
137.02316	1.1
138.87199	0.6
139.11166	16.4
140.11501	0.8
143.04890	0.6
151.03896	1.4
155.03391	4.1
159.04323	0.7
161.04459	2.5
165.01842	1.3
173.04478	8.0
177.01894	0.9
177.09125	1.9
179.05560	1.9
180.04187	11.3
181.04642	0.7
183.10179	100.0
184.10516	4.1
185.00804	0.9
191.05499	2.1
195.02908	1.0
195.06575	9.3
214.78290	0.7
239.09262	0.7
251.07011	1.3
295.10590	0.6
327.08728	0.7
357.09772	2.5
357.15579	10.8
358.15695	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86624	19.7
59.01260	36.5
61.34628	20.4
70.15393	100.0
80.44453	18.3
88.55595	21.7
98.19852	31.8
121.02832	37.7
150.94492	23.9
158.74629	22.2
204.92464	22.1
279.00061	19.1
296.06943	34.7
302.73691	21.0
374.49399	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0615
Annotation	Phellinsin A
Peak:m/z	Relative Intensity
57.03338	0.6
59.01259	0.6
66.14689	0.3
67.23449	0.3
69.72961	2.4
79.01803	0.4
85.99950	0.4
87.07269	0.4
87.60998	0.3
89.02372	0.4
93.06998	0.6
95.38658	0.4
98.20615	0.4
99.12984	0.4
105.03351	0.6
107.01280	0.4
108.02090	0.9
109.02863	0.7
109.22735	0.4
112.25156	0.4
121.02876	1.3
136.01572	1.0
137.02312	0.9
148.01564	4.4
149.02307	0.9
150.03168	0.4
152.01146	0.4
161.02354	0.8
162.98172	0.4
163.00302	0.7
164.01118	0.5
165.01823	2.7
167.03426	0.6
169.92192	0.4
188.01088	0.4
189.01900	1.3
190.02676	1.3
197.06052	1.3
199.03934	0.6
209.06047	1.0
210.06764	0.6
211.03918	1.2
213.05542	1.0
214.06276	1.0
216.74229	0.3
225.05447	3.6
226.06232	1.6
227.03438	1.3
227.16583	0.6
237.05650	0.5
241.05029	7.1
242.05676	1.3
252.04128	0.5
253.04980	3.7
254.05791	1.1
255.02986	0.7
269.04507	7.2
270.05203	2.7
280.03891	0.5
281.04547	2.2
283.02435	0.9
297.04010	7.3
298.04797	100.0
299.05112	9.1
313.07150	64.4
314.07458	5.7
324.02585	0.9
325.03464	1.1
339.04984	1.2
357.06082	21.8
357.26456	2.4
358.06445	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01246	2.7
61.84969	1.1
70.14851	3.0
70.15249	2.4
72.59787	1.1
75.09518	1.3
78.39115	1.2
83.27316	1.2
85.02820	2.8
88.00546	1.2
89.02259	1.2
89.51144	1.0
107.04901	1.7
109.02826	3.8
122.03614	10.3
127.07500	1.7
135.04404	25.4
136.01544	2.9
136.04784	1.6
147.08044	2.7
149.05946	1.5
149.09619	7.5
151.07489	2.0
154.02589	1.4
159.55489	1.3
161.09616	7.4
163.07529	4.0
163.11192	51.4
164.08337	16.5
164.11475	2.5
165.09140	10.5
177.09122	65.4
178.09860	21.6
179.10684	73.4
180.11076	3.3
183.10144	1.9
187.11244	2.0
191.10680	13.1
193.08638	8.2
265.12253	1.6
280.14795	3.5
298.15735	50.2
298.19177	2.4
299.16049	5.4
337.21701	46.8
338.22009	5.4
340.20389	78.6
341.20706	9.3
355.22748	100.0
356.23032	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	355.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36922	0.4
57.03323	0.5
59.01247	2.8
67.46783	0.4
69.57645	0.4
71.01252	1.1
85.02816	1.2
86.66447	0.5
89.02326	0.9
91.01767	16.2
93.03352	0.6
96.18664	0.4
101.02330	0.7
101.18056	0.5
104.39273	0.4
107.89671	0.5
108.02071	0.5
109.02827	3.4
119.03454	0.5
133.02789	0.5
134.03661	0.5
135.00775	14.6
135.04396	2.0
145.02811	0.6
147.04460	1.5
148.01552	1.3
148.05215	5.6
149.02319	0.6
149.05992	6.4
151.03815	0.5
153.01834	32.4
154.02150	1.3
160.01471	0.6
160.05241	0.6
161.04655	0.9
161.05986	4.1
162.03108	1.1
163.00201	0.5
174.06712	0.5
175.03912	0.6
179.05701	0.5
180.04185	1.2
183.08105	2.1
184.08342	0.4
185.05978	2.6
186.06749	0.7
189.09128	15.7
190.04948	0.5
190.09445	0.8
193.06989	0.6
197.05899	1.0
199.03932	0.6
199.07538	0.6
199.19952	0.5
201.09134	39.7
202.09392	2.0
209.05939	0.8
211.03859	0.5
213.05511	0.6
217.08704	0.7
219.10207	78.1
220.10503	4.6
227.86092	0.5
237.05559	5.1
238.06262	0.5
239.06989	1.2
241.05011	1.3
245.08122	1.7
255.06525	0.7
264.04224	1.4
265.05032	4.2
266.05670	0.5
278.05801	1.6
279.06567	2.0
283.06052	5.7
283.08704	1.0
284.06552	0.5
313.10965	0.6
337.10721	1.7
355.11844	100.0
355.24734	2.1
356.12268	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	355.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.9
59.01238	2.1
63.02260	1.4
65.00195	2.1
65.07096	0.4
69.42875	0.4
71.01253	0.7
71.04893	0.7
83.01263	1.4
85.02820	0.9
85.36879	0.4
89.02339	0.6
91.01765	22.0
92.02097	0.7
100.61817	0.4
101.02338	0.8
107.01269	4.0
109.02856	1.3
121.02896	0.5
133.06500	2.5
135.00764	18.6
135.04407	0.5
145.06465	3.0
147.60374	0.5
148.05194	8.2
149.05954	3.8
151.00262	11.3
153.01830	42.6
154.02158	1.2
159.08148	0.6
161.05957	1.8
162.03081	1.5
169.01323	1.1
173.09641	0.7
174.03027	0.8
174.06773	0.7
180.04164	1.6
183.08064	3.3
185.06029	3.9
185.09607	7.4
186.06749	0.7
189.09128	25.6
190.09468	1.4
190.16504	0.5
193.04745	0.5
201.09129	48.6
202.09526	2.8
203.10689	8.4
217.08707	0.8
219.10202	100.0
220.10570	6.4
245.08109	1.0
288.65103	0.6
297.07535	0.8
336.21872	0.8
337.10837	2.0
337.22067	1.4
354.22815	0.8
355.11841	71.9
356.12192	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	355.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95281	0.5
54.85766	0.5
59.01228	0.8
66.42265	0.4
70.64458	1.1
70.64796	0.7
71.01266	0.5
85.02824	0.6
85.42597	0.5
85.85704	0.5
87.21720	0.4
89.02316	0.6
91.01765	12.3
101.02315	1.0
109.02826	1.0
110.81873	0.5
121.06463	0.8
133.06512	0.9
134.03656	1.9
135.00775	11.5
135.04398	1.4
136.01180	0.7
148.01566	0.8
148.05203	7.1
149.05974	100.0
150.06319	3.9
153.01826	20.3
154.02167	0.5
162.03139	0.5
174.89981	0.4
179.03380	0.7
180.00595	1.0
180.04172	0.7
193.07201	0.6
201.09109	4.8
219.10199	57.6
219.55058	0.5
220.10619	2.6
285.07571	0.6
303.94037	0.6
355.11850	57.1
356.12231	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	355.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64604	0.4
57.03317	0.4
59.01248	2.3
63.02268	4.0
65.00198	8.2
69.03304	0.7
71.01244	0.5
71.39392	0.6
73.02818	0.5
83.01258	4.9
85.02818	0.9
91.01772	11.1
95.01261	0.5
107.01273	12.1
107.04893	3.6
108.02052	1.2
109.02814	1.3
119.04913	15.1
121.02911	0.5
123.00819	0.6
132.05736	0.6
133.06491	49.8
134.06805	1.9
135.00774	12.0
135.04370	0.6
136.01576	0.7
140.39999	0.4
143.04883	1.0
147.04414	31.6
148.01549	1.1
148.04776	1.4
149.02364	2.8
151.00276	37.1
152.00739	0.8
153.01843	14.4
153.03082	0.8
159.04379	0.7
161.05980	4.7
164.01013	0.9
165.01796	1.7
169.01318	3.5
169.06616	0.4
176.67186	0.4
177.01859	2.3
182.07346	0.4
185.09587	2.5
193.07118	0.8
201.09160	2.1
203.10699	6.1
204.11035	0.7
213.05560	0.5
219.10240	1.2
235.08018	0.4
241.04988	1.6
245.82735	0.4
255.06589	0.8
279.06641	0.6
283.06122	13.3
284.06555	1.3
285.07675	4.8
297.07587	0.5
334.27658	0.4
337.10764	1.1
355.11859	100.0
355.24365	2.6
356.12152	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11724	1.4
59.01239	6.7
69.08887	1.6
69.41177	3.5
69.41578	13.2
71.01236	4.7
72.99165	2.8
73.02819	3.7
75.00735	3.1
83.01240	4.3
85.02802	9.6
87.00757	3.8
93.03347	2.9
99.00719	1.6
101.02287	2.3
113.02334	2.5
113.99468	2.2
115.00245	6.3
115.95326	1.6
121.02814	3.0
132.02097	2.0
133.02872	2.3
134.03625	28.5
135.04410	3.9
137.02338	3.3
148.05208	3.5
149.02376	4.2
149.05963	7.8
151.03897	3.2
160.01503	9.0
163.03909	2.0
174.01610	65.6
175.02341	6.0
175.03905	10.9
176.04601	5.4
178.02614	8.8
179.07056	4.2
191.07024	4.1
192.05936	1.8
193.04942	35.3
202.02663	3.5
217.04990	14.0
221.08128	3.6
235.06079	4.0
237.07640	5.1
265.07254	8.7
295.08228	11.5
304.19510	1.5
355.10315	100.0
356.10898	10.0
356.14481	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
52.86435	0.3
55.09336	0.2
58.00472	0.3
59.01250	6.6
60.41426	0.2
71.01254	3.8
71.06925	0.4
71.07253	0.4
79.64371	0.2
85.02841	0.9
87.00775	0.3
89.02310	3.0
93.03349	0.3
95.01284	0.3
101.02312	1.6
113.02329	1.6
119.03394	1.0
126.05977	0.2
127.99802	0.3
132.02069	10.1
133.02394	0.3
134.03635	8.1
147.04376	0.5
148.05168	0.3
149.04901	0.4
149.05946	1.7
159.83296	0.2
160.01569	52.8
161.01926	2.5
174.03122	0.4
175.03920	100.0
176.04269	5.1
189.05515	0.6
191.03545	0.4
191.05508	0.4
191.07072	2.7
192.28891	0.3
193.04984	16.2
194.05350	0.8
200.19092	0.3
202.02681	1.0
207.06499	0.6
217.05002	6.0
218.05321	0.3
221.08119	0.6
221.83475	0.2
235.06047	3.2
265.07199	0.8
272.26718	0.3
275.16486	0.2
295.08197	1.8
311.94781	0.3
355.06155	0.4
355.10327	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	355.1033
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.67910	0.3
57.03340	0.4
57.95587	0.3
59.01248	7.6
59.01532	0.5
70.91076	0.7
71.01252	5.2
73.02823	0.4
83.01231	0.4
85.02831	2.5
87.00723	0.4
89.02315	3.5
90.58688	0.3
92.04924	0.5
93.03335	0.9
101.02317	2.4
107.04917	0.3
109.02811	0.4
113.02347	2.0
119.03381	1.1
119.04934	0.4
131.64769	0.4
132.02058	12.9
133.02928	0.7
134.03635	9.7
135.04370	0.7
137.02283	0.5
147.04407	0.6
149.02344	0.6
149.05977	2.4
151.03929	2.3
160.01563	62.4
161.01923	2.6
161.04495	0.3
163.03949	1.1
164.04707	0.5
173.04454	1.2
174.01587	0.6
174.03114	0.8
175.03914	100.0
176.04294	4.8
177.01833	0.4
178.02652	0.4
179.03409	0.4
186.52660	0.3
191.05470	2.4
191.06854	2.5
192.05888	0.5
193.04965	16.2
194.05322	1.1
202.02654	0.9
207.06567	1.0
208.26094	0.3
217.04994	6.1
223.06093	0.6
235.06006	3.4
264.22766	0.4
265.07068	1.2
285.30084	0.3
295.08276	2.5
351.22751	0.3
355.10297	6.6
356.10620	0.7
378.40295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.3
59.01252	7.9
67.64617	0.3
69.53105	2.3
71.01254	4.4
72.99167	0.6
73.02814	0.4
83.01244	0.5
85.02818	1.5
87.00788	0.4
89.02320	2.9
93.03315	0.4
95.01263	0.5
101.02326	2.2
113.02283	1.8
117.03415	0.4
117.49368	0.3
119.03397	1.0
119.04874	0.3
132.02063	14.6
133.02437	0.4
134.03622	9.6
137.02345	0.3
147.04459	0.7
148.05261	0.3
149.02362	0.5
149.05995	2.2
151.03947	0.4
160.01564	65.2
161.01898	2.9
163.03879	0.7
173.04500	0.4
174.03090	0.7
175.03917	100.0
176.04279	5.0
178.02583	0.6
191.03432	1.3
191.05515	1.1
191.07080	2.2
192.05806	0.4
193.04955	19.3
194.05341	1.3
202.02660	0.8
206.05759	0.8
207.06503	0.8
217.04993	6.0
217.06984	0.2
218.05316	0.4
221.08162	1.5
235.06047	3.3
265.07214	0.9
288.11551	0.4
295.05154	0.4
295.08093	2.3
355.06241	0.6
355.10339	7.2
356.10831	0.5
377.35696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0882
Annotation	GlcAbeta1-6Galbeta
Peak:m/z	Relative Intensity
57.03306	6.8
59.01250	91.6
69.03323	5.2
71.01257	100.0
72.99178	41.1
73.02827	26.1
75.00757	13.3
78.95788	7.9
81.03323	5.8
83.01270	10.5
85.02832	44.7
87.00739	46.4
89.02320	64.9
90.92288	5.4
95.01258	8.7
96.95711	5.0
98.19816	11.1
99.00775	14.2
99.30455	5.7
101.02314	67.3
103.00261	12.7
103.65660	5.1
105.01835	7.9
109.02840	6.1
113.02338	58.0
115.00232	12.5
119.03384	20.2
121.02842	28.6
129.01773	11.3
131.03391	15.2
135.04375	6.3
141.01817	6.0
157.01352	7.2
161.04472	14.5
175.02420	63.6
179.05533	15.6
181.05029	17.2
193.07086	23.5
201.36919	6.2
265.05591	9.8
309.00681	5.9
355.08694	76.6
355.12552	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2122
Annotation	Guayulin B
Peak:m/z	Relative Intensity
59.01247	0.3
62.06553	0.3
70.96121	0.3
70.96496	0.7
80.32434	0.2
85.02810	0.3
86.86509	0.3
91.94084	0.3
93.66363	0.3
96.95889	2.7
107.04993	0.3
110.00680	0.2
120.01053	0.2
135.04390	0.4
147.08105	0.3
161.06023	0.3
163.11195	100.0
164.11519	5.5
177.09125	77.1
178.09474	4.6
191.05559	1.6
194.05760	0.4
197.02763	0.3
222.08958	0.9
239.22615	0.2
353.21198	99.0
354.21542	14.3
354.26031	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2
Annotation	Hexamidine
Peak:m/z	Relative Intensity
59.01233	1.4
66.11531	0.4
70.87283	1.0
77.58071	0.4
79.95602	10.4
80.96375	0.9
85.02813	0.5
91.17684	0.4
94.69781	0.4
94.97958	1.1
95.95102	1.9
96.95882	75.9
122.97461	4.3
135.04385	0.9
139.50177	0.4
143.71371	0.4
179.03331	0.9
191.05550	2.8
233.20256	0.5
301.54172	0.4
303.25165	0.4
353.19989	100.0
354.20328	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	353.1026
Annotation	Castillene C
Peak:m/z	Relative Intensity
51.88589	0.3
52.02485	0.3
53.69160	0.3
58.81935	0.3
59.01244	1.4
59.69276	0.3
61.57986	0.3
68.97232	0.3
71.01237	0.5
71.58351	0.4
73.02853	0.3
85.02818	0.9
86.04191	0.4
87.00745	0.3
87.04395	0.7
93.03353	0.9
97.06461	0.5
99.04392	0.4
105.03288	0.4
113.02265	0.3
113.21431	0.3
115.57397	0.3
121.02863	0.6
122.03656	0.4
127.14119	0.4
133.02834	0.3
135.04410	2.7
136.01569	0.6
148.01581	1.4
149.02338	1.4
161.02341	0.7
173.04411	0.5
179.03418	2.7
188.01091	0.6
189.01797	0.5
191.05522	8.6
192.05801	0.6
197.05981	0.3
201.01851	0.5
209.05972	0.5
211.04089	0.3
214.06279	0.4
217.08699	0.3
223.95959	0.3
225.05559	1.2
226.06297	0.5
241.04997	1.0
242.05869	0.7
252.04185	0.4
253.05034	2.2
254.05840	1.2
255.02792	0.4
256.03662	0.3
265.04913	0.5
267.03229	0.4
269.04514	3.4
270.05334	1.9
273.33008	0.3
281.04572	1.2
284.03125	0.4
297.03995	6.2
298.04770	7.3
299.05179	0.5
309.04004	9.3
310.04559	0.8
323.05466	0.6
325.10709	1.0
330.03778	9.5
330.07767	0.5
331.04141	0.4
337.07104	1.0
338.07785	0.5
353.10269	100.0
354.10602	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	353.1027
Annotation	Gancaonin C
Peak:m/z	Relative Intensity
59.01236	2.0
65.00172	0.4
71.58065	0.4
77.03818	0.8
79.01742	0.7
79.77499	0.3
85.02808	0.6
86.02332	0.4
89.03844	0.5
93.03345	0.4
94.07130	0.3
105.03320	1.4
107.04867	0.3
109.07844	0.3
111.07999	0.5
117.03318	0.7
121.02817	1.1
123.04359	0.4
132.02054	1.1
133.02841	8.7
133.86267	0.3
135.00769	0.3
135.04404	2.9
143.04929	0.4
149.02380	0.3
153.01801	0.8
157.02820	0.6
159.04419	1.9
161.02304	0.5
169.06589	0.3
173.04482	0.3
179.03407	1.4
181.06470	0.6
183.04376	0.7
183.08023	0.6
189.09041	0.5
191.05513	4.9
192.05939	0.4
193.06488	0.7
194.07285	1.3
194.95447	0.4
195.04514	0.4
195.08073	2.3
196.05284	0.6
197.06015	1.4
199.03836	0.7
200.04639	0.7
209.06033	1.5
210.06757	0.4
211.07523	1.2
211.13327	1.4
217.08624	1.8
223.03938	0.4
224.04794	0.8
225.05429	1.1
226.06223	0.7
227.07005	1.3
237.05518	2.0
238.06270	2.3
239.07095	2.4
240.04211	0.5
253.05008	8.0
254.05725	3.3
255.06503	0.8
265.05081	0.7
281.04544	10.7
282.05280	11.5
283.06094	74.4
284.06436	5.6
286.04831	0.7
293.12408	0.6
307.09821	0.5
314.04300	12.4
315.04672	0.9
317.08252	2.3
319.06116	0.9
335.09222	9.5
336.09576	1.1
353.10278	100.0
354.10620	10.6
354.14740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.103
Annotation	Platanetin
Peak:m/z	Relative Intensity
70.44934	0.5
72.94900	0.1
74.05769	0.2
88.43011	0.1
90.93189	0.1
105.03368	0.3
107.99218	0.2
108.01997	0.2
109.02842	0.2
109.06437	0.2
121.02824	0.3
123.99279	0.2
133.02844	0.3
133.06485	0.3
135.04393	0.2
136.01578	0.6
145.02834	0.3
148.01556	1.2
149.02344	1.3
150.03073	0.2
161.02353	0.4
167.03467	0.2
175.03998	0.2
175.07533	0.2
188.01047	0.3
189.01823	0.4
190.02640	0.3
197.06017	0.5
199.04025	0.2
201.01898	0.8
209.05873	0.3
211.03867	0.2
213.05568	0.3
214.06299	0.4
219.06709	0.3
223.04005	0.2
225.05550	1.0
226.06293	0.8
227.03412	0.3
237.05562	0.4
239.03569	0.2
241.05048	1.3
242.05725	0.5
245.08098	0.3
252.04247	0.3
253.05034	2.1
254.05740	1.0
255.02933	0.3
256.03809	0.2
259.34622	0.1
265.05042	0.2
266.05688	0.3
268.03812	0.1
269.04556	3.3
270.05295	2.2
281.04572	1.2
285.03946	0.2
297.00632	0.3
297.04025	6.9
297.11398	0.3
298.04791	8.1
299.05133	0.5
308.35876	0.2
309.04056	7.9
310.04584	1.2
319.05707	0.3
321.07822	0.2
323.05591	0.2
325.10788	1.3
326.11200	0.2
330.03787	9.0
331.04037	0.7
334.74075	0.2
337.07257	1.2
338.07834	0.7
353.10294	100.0
354.10651	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	353.0875
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.37429	0.2
54.53141	0.2
57.03301	0.3
59.01241	1.2
60.99172	0.2
67.01743	0.4
67.95912	0.2
68.58940	0.2
69.03301	0.4
71.01250	1.1
73.02819	0.5
74.44778	0.2
79.58695	0.2
81.03331	0.3
83.04871	0.5
85.02814	11.0
86.03108	0.3
87.00741	2.3
93.03339	4.2
99.04394	0.7
99.24023	0.2
109.02821	0.9
111.04408	1.7
113.02387	0.3
127.03889	2.9
133.02795	0.8
135.04372	1.3
137.02328	0.2
155.03412	0.4
161.02336	2.3
171.02905	0.8
173.04466	1.9
179.03412	0.6
191.05525	100.0
192.05858	4.4
342.99722	0.2
353.08786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76212	0.4
59.01228	0.4
59.41159	0.4
69.70698	0.4
69.89034	1.2
69.89448	0.9
77.55997	0.4
78.14946	0.3
78.92905	0.4
79.26708	0.4
85.02823	1.6
93.03320	0.7
105.70818	0.4
127.03816	0.6
135.04387	0.5
147.71097	0.4
161.02361	0.8
170.02022	0.4
173.04459	1.4
179.03418	2.4
191.05524	100.0
192.05875	3.4
207.24854	0.4
320.28448	0.4
353.08759	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17892	0.5
57.03302	0.8
59.01250	2.8
60.99180	0.7
67.01749	4.1
69.03332	1.1
71.01250	4.3
81.03304	0.6
83.04899	0.9
85.02810	8.3
87.00742	2.0
91.05451	0.6
93.02750	1.4
93.03331	23.2
98.20520	1.8
109.02808	1.6
111.00750	0.7
111.04402	6.0
119.04908	0.7
127.03885	1.7
128.31322	0.7
133.02866	0.6
134.03664	2.8
135.04410	62.4
136.04753	2.9
137.02351	6.3
139.99861	0.5
144.73695	0.5
150.98924	0.6
155.03397	5.7
161.02336	5.3
171.02919	0.9
173.04460	100.0
174.04807	4.2
179.03412	67.6
180.03714	2.4
191.05528	77.7
192.05910	2.6
259.77124	0.6
338.59967	0.7
353.08740	9.5
378.12415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0873
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
59.01253	1.1
60.99143	0.4
67.01755	0.4
69.70529	3.0
71.01244	1.1
76.35873	0.4
85.02818	7.9
85.53935	0.4
87.00767	1.3
93.03324	3.5
107.04885	1.0
109.02827	1.0
111.04393	2.1
117.03280	0.7
127.03905	1.6
129.01797	0.4
133.02882	1.2
134.03619	3.8
135.04402	53.2
136.04781	2.3
144.14571	0.5
155.03391	2.0
161.02339	3.5
173.04453	4.4
174.04802	0.5
179.03404	52.6
180.03696	2.5
191.05522	100.0
192.05879	3.7
194.88000	0.5
243.06522	0.6
244.07054	0.6
353.08673	9.4
354.09143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0875
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
50.68021	0.4
57.03316	0.4
59.01244	0.9
68.73127	0.3
70.81393	0.5
70.81754	0.7
71.01247	0.7
73.28109	0.3
76.54317	0.3
83.04919	0.8
85.02818	5.7
87.00750	1.2
91.05374	0.4
93.03341	3.1
101.03006	0.4
107.04894	1.2
109.02827	0.6
111.04376	1.6
122.99597	0.3
127.03916	2.1
133.02840	1.1
134.03618	5.3
135.04408	46.2
136.04750	2.2
155.03427	1.3
161.02328	2.5
173.04457	3.9
179.03409	58.4
180.03745	2.8
191.05528	100.0
192.05855	4.4
270.39240	0.4
353.08746	20.7
354.09222	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01589	1.3
62.61817	0.4
69.03329	0.9
71.01252	0.9
71.58657	0.6
72.55762	0.4
84.46405	0.3
85.02795	0.7
87.00739	0.6
92.57472	0.4
93.03350	1.3
96.95850	0.4
99.00767	0.4
101.02311	0.5
109.02857	0.8
113.02344	0.7
119.04982	0.6
123.04430	0.6
125.02380	0.4
133.02832	3.1
135.04459	1.0
141.01845	0.6
151.03955	0.4
163.03955	0.6
173.04512	1.2
177.01903	1.6
179.03583	0.5
186.73849	0.4
191.05577	1.4
244.42874	0.4
299.62781	0.4
351.02112	0.5
364.93796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62596	0.9
59.01247	100.0
60.01571	1.2
69.03355	1.2
71.01244	2.7
71.34474	1.0
71.59122	1.0
75.00728	1.0
75.51116	0.8
79.36696	0.8
81.02260	0.9
85.02801	1.8
87.00764	1.4
93.03324	1.0
96.63920	0.9
99.00743	1.2
109.02824	1.3
113.02338	1.7
121.02875	1.1
121.16672	0.9
133.02829	3.8
134.03491	1.4
135.04362	2.0
173.04477	1.8
177.01991	1.0
185.53819	1.2
191.05556	1.7
193.07040	0.9
200.61374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.5
59.01248	11.4
67.01749	1.9
68.99670	1.4
69.03330	0.7
69.48260	0.7
70.58792	1.5
71.01247	10.9
72.99182	3.6
73.02806	1.2
75.00742	13.1
80.04910	1.3
83.01250	1.3
85.02820	16.1
87.00739	6.4
89.02303	3.5
92.04900	1.6
93.03326	7.6
95.01257	3.8
99.00755	8.2
101.02300	1.3
101.05958	100.0
102.06275	1.7
103.00282	1.6
106.62903	0.6
108.04401	1.1
109.02815	1.2
110.06015	0.7
111.00752	2.9
111.04399	2.8
113.02323	19.9
115.00237	2.1
117.01838	3.2
119.04845	1.3
120.04449	1.5
122.06046	3.1
123.04395	0.9
129.01819	2.5
131.06036	1.6
131.72670	0.7
133.02841	5.1
135.04384	1.9
138.05515	3.8
146.04521	1.1
149.02368	0.9
150.05486	3.1
151.03908	0.9
155.03387	1.2
163.03893	1.3
166.05017	2.1
167.03517	0.6
168.06575	3.5
173.04460	10.9
173.05817	1.2
175.02405	2.7
175.05060	2.3
177.01813	2.4
179.03383	1.4
189.03914	0.8
191.05528	6.8
210.04031	2.1
212.05583	10.5
226.06252	1.3
231.05017	2.2
241.08542	0.9
243.07651	2.0
249.06125	18.3
250.06528	0.7
265.07120	1.5
289.11819	0.8
291.10858	1.0
307.12888	2.1
333.11813	3.3
351.12924	58.7
352.13379	3.1
357.09875	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	351.0871
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
55.81064	0.1
57.89994	0.1
59.01250	0.9
65.00185	0.5
71.01268	0.1
71.57718	0.2
75.19586	0.1
79.05389	0.5
93.03333	0.9
96.95881	0.3
105.03336	0.2
105.06965	0.1
107.04897	1.2
109.02821	0.5
119.01307	0.1
119.04908	0.2
121.02819	1.4
123.04394	0.2
129.06996	0.8
131.04906	0.6
133.02858	1.9
134.00003	0.2
135.00761	0.3
135.04372	1.1
136.01572	0.2
139.03889	0.4
143.04906	0.3
145.02863	0.6
146.03624	0.2
147.04404	0.3
148.01588	0.5
149.02344	1.7
149.05966	0.9
155.04948	0.6
157.02888	0.2
157.06520	0.5
159.04402	0.6
161.05986	0.3
163.00275	0.4
169.06512	0.2
171.04446	0.7
172.05070	0.2
173.02339	0.3
173.06004	1.1
174.03046	0.4
175.03944	0.9
175.07494	0.1
177.01854	0.3
181.06512	0.2
183.04469	0.4
185.02405	0.3
185.05811	0.2
186.03139	0.2
186.95685	0.1
187.03891	0.4
189.05490	0.3
191.06979	0.2
192.95807	0.4
197.05988	0.4
198.03152	0.2
199.03970	1.1
199.07600	0.2
201.01857	2.1
201.05495	0.2
207.08066	0.2
213.01837	0.2
213.05473	1.5
214.02542	0.3
215.03488	0.4
217.04973	0.7
223.03996	0.2
224.04684	0.7
225.05522	1.5
226.02823	0.2
226.05838	0.2
227.03423	3.6
228.04022	0.3
233.09583	0.2
235.07576	0.4
235.11075	0.2
236.08473	0.2
237.05632	0.2
239.03439	0.2
240.04276	0.2
241.05013	5.4
242.05765	2.7
243.02966	0.4
243.06532	1.5
244.06853	0.3
247.07632	0.3
249.09235	0.4
251.10736	0.3
253.04984	0.2
259.07590	0.2
260.08237	0.2
261.05609	0.1
261.09149	0.4
263.07056	0.6
264.04224	0.1
264.07590	0.3
265.05054	0.4
265.08554	0.2
267.02921	0.3
268.03824	0.3
275.07047	0.5
276.07727	0.2
277.05133	0.4
277.08698	1.7
278.09113	0.3
279.02969	0.3
279.06729	0.3
279.10211	0.4
280.03827	0.2
280.07208	0.2
281.08151	0.2
287.07367	0.2
289.08658	0.3
290.05875	0.3
291.06561	0.5
293.04553	0.8
293.08179	0.7
295.09769	2.1
296.03113	0.4
303.06775	0.2
305.08145	2.3
306.08862	0.3
307.06128	0.9
307.09668	0.7
308.03189	0.6
308.06860	0.6
309.07800	0.2
316.06952	0.1
321.04013	1.5
321.07648	0.4
322.04669	0.2
322.08319	0.3
323.09207	6.1
324.09674	0.7
326.16760	0.1
333.07663	3.4
334.08148	0.6
335.05661	1.5
336.06226	1.3
337.07074	0.2
349.07211	0.6
350.07922	0.5
351.08704	100.0
352.09055	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	351.0871
Annotation	Parvisoflavone B
Peak:m/z	Relative Intensity
50.41037	0.6
52.11845	0.6
59.01249	16.3
65.00191	1.4
70.87334	1.2
70.87737	1.0
93.03323	1.1
96.95899	2.9
107.04862	1.0
109.06451	0.7
119.01289	4.2
121.02848	0.9
123.00763	0.6
131.04929	0.7
133.02803	3.5
133.06435	0.8
145.02806	3.0
147.04407	0.7
151.07564	0.9
158.03629	0.8
159.04407	1.0
161.02266	0.7
173.02374	1.6
174.03073	1.2
175.03902	1.0
175.07460	0.7
176.01126	1.1
182.03609	0.8
184.05240	0.9
186.95560	1.1
192.95764	3.3
195.04488	1.0
197.38188	0.7
199.03821	0.7
203.10716	0.8
204.10905	0.6
211.03922	2.3
212.04666	3.1
215.85820	0.6
217.05048	2.6
219.06584	2.0
223.03972	2.0
224.04736	1.8
231.10228	5.9
235.03888	0.7
239.03481	4.8
240.04126	2.0
251.03561	1.7
252.07729	0.7
261.05582	0.7
263.07086	1.3
265.05179	0.9
267.02994	5.2
268.03778	11.2
269.04230	1.3
279.03320	3.6
279.06262	3.6
279.09744	0.7
280.03687	0.8
281.08121	0.8
291.12573	0.7
295.09656	1.4
305.08347	1.1
307.06058	3.2
308.06766	3.8
309.03952	0.8
310.39182	0.6
311.29468	0.7
323.09232	100.0
324.09540	11.0
327.90778	0.7
351.08716	90.7
351.18262	2.6
352.09100	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	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86806	0.7
59.01250	100.0
60.01585	0.9
69.03323	12.8
69.94810	3.6
71.01256	2.9
72.99157	1.3
82.55924	0.8
83.84454	0.7
85.02865	1.1
89.02319	1.5
97.02831	2.8
99.00757	2.8
101.02332	1.4
104.05390	0.8
113.02322	2.7
125.02327	1.6
135.04460	1.0
136.01567	2.1
141.01883	0.9
151.03883	1.5
162.03087	0.8
162.48100	0.8
185.00827	4.6
185.16557	0.7
203.01923	1.8
216.07771	0.9
241.50972	0.8
277.05716	0.7
305.10199	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	1.5
55.62254	1.0
57.03320	1.2
59.01250	100.0
71.01261	5.2
71.59272	1.7
71.59623	1.3
73.02817	2.0
82.41071	1.1
83.01279	1.3
84.04427	1.8
85.02821	2.3
87.04389	1.8
88.04813	1.5
101.02340	2.1
111.00687	1.2
113.02377	2.8
118.05002	2.1
140.01006	6.4
141.01396	2.8
142.01512	4.7
145.02899	2.6
155.03401	7.2
156.03717	4.8
157.03928	6.4
161.04501	2.8
226.03915	1.3
289.16724	2.1
349.07983	2.4
349.17508	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95928	1.4
51.84360	1.3
54.32761	1.4
57.03309	1.4
57.93914	1.3
59.01249	100.0
59.50996	1.4
60.01607	1.6
68.75812	1.4
69.03326	4.2
69.51333	3.3
69.51741	8.2
71.01248	14.3
72.04652	1.3
72.99184	2.0
73.02821	1.9
75.00751	3.4
76.18947	1.3
83.01293	2.0
85.02820	5.4
87.00761	2.3
89.02316	7.9
94.06493	2.8
96.95919	1.6
97.02831	1.9
99.04446	1.4
101.02330	7.0
104.04932	2.2
106.06503	7.6
108.04426	2.3
110.02388	2.7
112.03918	1.7
113.02290	6.8
119.03386	2.8
120.04407	3.3
122.06001	12.0
124.63950	1.4
131.03369	1.5
132.04451	4.5
132.67500	1.5
136.03903	2.0
138.05530	1.6
139.02654	2.7
150.05539	3.5
154.04982	21.0
155.10669	2.5
185.00873	2.3
216.10281	1.5
218.08151	2.7
224.07864	3.7
224.58188	1.8
239.08228	1.5
241.09714	2.2
244.09778	2.7
261.08813	2.1
269.09384	2.1
276.02252	1.3
287.09998	1.7
305.11417	82.5
306.11496	7.9
330.95328	1.6
349.10406	10.8
349.14908	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	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.66011	0.8
54.61823	0.7
55.01745	1.2
57.03340	1.6
58.00468	4.9
59.01252	100.0
60.67892	0.9
69.26605	1.1
69.27015	6.7
71.01255	57.2
72.99194	3.4
73.02844	1.0
83.01267	2.1
85.02829	9.9
87.00759	2.4
89.02318	63.7
95.01269	3.9
95.02353	0.7
101.02327	27.7
113.02330	23.9
115.03976	1.0
119.03388	28.7
125.02363	0.9
131.03439	2.3
139.00290	0.9
143.03395	4.3
149.04517	2.1
161.04509	3.5
165.98933	0.7
167.10695	12.3
179.05525	6.8
219.97469	0.8
225.40211	0.7
244.03844	0.8
303.05084	1.4
340.75739	0.8
347.07513	1.2
347.17062	6.2
348.17401	1.1
369.35818	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10220	1.1
56.82751	1.2
59.01250	18.4
59.16043	1.5
65.14558	1.1
69.03328	1.2
71.01250	8.9
71.58517	1.7
73.02811	2.0
75.00729	2.5
85.02824	4.2
87.00764	2.8
89.02299	3.3
92.04910	2.7
93.03351	3.3
94.06522	1.9
96.95868	1.8
99.00761	3.9
101.02333	4.3
104.04932	3.8
106.06490	9.8
108.04431	2.9
110.02361	4.2
112.03938	2.0
113.02315	6.5
120.04433	7.3
121.05282	1.9
122.06013	16.9
132.04449	8.0
135.04414	1.7
136.03902	4.2
137.02286	2.0
138.05498	3.6
139.02621	4.2
143.07092	1.8
144.08070	2.2
146.28621	1.1
148.03908	1.6
149.99500	1.5
150.05490	4.2
152.03328	1.8
154.03821	1.7
154.05017	24.1
155.10643	1.7
156.08025	2.3
165.01802	1.7
166.04973	2.5
173.04681	1.4
174.09129	3.6
179.03378	1.3
182.09770	1.6
188.07050	2.5
200.10742	1.8
203.05760	2.8
213.06680	2.6
218.08185	11.6
224.07913	3.5
239.08228	5.4
243.07626	4.7
244.09750	11.2
251.08125	1.6
257.09323	2.7
261.08817	9.0
269.09302	5.6
287.10458	2.1
305.11423	100.0
306.11752	10.8
317.11414	1.9
331.09488	1.3
349.10312	15.0
349.14474	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	347.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83431	2.8
56.46348	2.8
59.01249	9.4
69.25499	2.7
69.50517	20.1
71.01246	8.0
73.02787	3.9
84.04389	3.0
85.02789	7.2
89.02317	4.6
93.03348	5.9
95.04873	4.4
99.00737	3.4
101.02320	3.9
107.03630	3.2
108.04434	4.9
110.05992	75.6
111.04452	3.3
113.02380	4.9
116.04930	22.1
118.06493	10.3
122.06001	85.9
123.06327	3.3
123.91316	2.5
128.03406	19.0
133.44029	3.2
133.85571	2.7
144.04462	55.2
161.04701	3.1
162.05516	86.6
163.06148	6.7
171.07680	8.5
173.04469	9.0
188.03481	18.3
191.05528	9.5
199.09659	4.4
210.99742	3.1
242.49895	3.2
249.05373	5.4
255.11391	14.7
260.12952	4.6
267.11371	67.8
268.11594	6.2
273.12363	12.8
285.12448	100.0
286.12714	10.2
303.13599	20.4
304.13568	3.6
329.11710	3.2
347.12518	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	345.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03557	0.5
55.73925	0.5
57.03327	1.1
59.01245	4.2
68.73170	0.4
70.70055	1.7
71.01250	1.8
71.11694	0.5
72.48985	0.5
72.99193	1.4
73.02838	0.5
75.00742	8.1
85.93313	0.5
89.02309	1.8
109.99917	0.7
111.00771	1.0
111.08067	1.5
117.01793	1.3
123.04424	1.2
135.02884	37.4
136.03203	0.9
136.50854	0.5
136.98671	0.6
139.00256	0.5
139.66750	0.5
165.12753	29.1
166.13118	1.7
183.13817	100.0
184.14163	4.9
187.03963	0.7
209.11740	1.3
215.03494	1.2
227.12825	82.6
228.13123	4.6
233.41908	0.6
243.03145	1.1
285.20618	0.6
287.01932	0.8
297.00391	0.6
300.63354	0.6
302.24219	0.5
303.21951	2.4
315.01456	2.2
330.03839	4.7
330.07330	0.8
345.06219	5.0
345.10059	0.8
345.10812	1.0
345.15482	15.1
345.22644	2.1
345.26450	1.2
346.06329	0.7
346.15723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09442	0.6
59.01242	2.4
61.87693	0.6
67.34075	0.6
69.53815	4.7
69.85693	0.6
108.02057	1.8
109.02830	13.4
111.00741	0.8
114.98149	0.6
121.02823	2.3
123.00806	1.0
123.04376	0.7
124.98722	0.9
133.02863	1.8
135.00784	0.9
137.99451	3.1
139.00290	0.8
148.01579	1.4
149.99484	3.0
151.00343	0.6
152.01010	1.0
153.01839	2.4
159.04390	3.8
160.05199	1.3
160.81021	0.7
161.02341	13.0
161.04382	0.8
165.01851	0.8
171.04462	0.7
172.05145	0.9
173.02162	0.9
175.00266	2.2
177.98988	4.4
180.97308	0.6
183.04417	1.9
185.02393	1.2
187.03920	3.0
188.04770	3.4
190.99736	1.9
193.01344	14.5
198.03185	1.2
199.03853	2.0
200.04510	0.8
202.02608	0.9
203.03447	1.3
204.04131	0.7
206.02045	3.5
208.03543	0.6
208.37923	0.7
211.04007	2.0
213.01920	1.3
215.03339	1.6
216.04277	2.9
226.02676	2.2
227.03398	5.5
228.04187	3.0
230.02361	0.7
239.03551	1.0
241.04926	1.0
243.02937	5.0
244.03711	5.8
254.02258	0.9
255.00291	1.1
255.02943	18.8
256.03696	11.3
257.04245	1.6
259.06110	0.8
269.04544	2.0
271.02490	8.2
271.05655	1.3
272.03241	100.0
273.03595	7.7
282.01743	2.9
283.02423	1.9
284.03217	2.3
286.04788	2.2
287.05597	59.3
288.06030	3.5
297.04025	2.6
299.01962	1.6
299.05399	0.8
300.02719	17.1
301.02957	1.4
302.07932	52.3
303.08298	4.0
312.06421	3.7
315.01602	0.6
315.05087	15.5
316.05249	1.3
317.10269	16.5
318.10669	1.0
329.06503	0.7
330.07410	62.3
331.07831	4.8
345.09747	53.9
345.22461	1.4
346.10040	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44903	0.2
59.01250	1.5
65.03830	6.7
67.01757	3.6
69.35110	1.3
73.02814	0.2
90.32439	0.2
93.00186	0.2
109.02829	100.0
110.03154	2.7
123.04398	0.6
149.02394	0.2
153.01811	0.3
165.81752	0.1
185.02425	0.5
190.99808	0.5
191.05353	0.2
206.02104	0.2
217.56213	0.2
227.99831	0.2
236.80299	0.2
245.10567	0.2
255.02927	0.2
285.20557	0.2
300.02695	0.3
303.21878	0.3
313.03430	0.3
315.01501	0.2
315.04959	0.4
330.03751	0.2
330.07376	0.4
332.89398	0.2
345.05930	0.9
345.09836	3.2
345.22910	0.3
345.26309	1.0
346.10349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	1.1
62.33582	0.5
65.00187	4.1
69.34389	4.7
69.57153	0.4
72.99194	0.5
74.63940	0.5
82.00490	0.5
82.72442	0.5
96.99201	0.9
109.99973	5.9
111.00756	10.2
113.02332	1.3
117.59413	0.4
123.00802	2.0
124.98706	0.7
125.23040	0.4
136.98682	5.2
137.99500	0.5
139.00259	7.3
143.04921	1.5
145.01775	0.4
145.02855	0.6
147.04439	0.4
149.02350	5.5
151.00291	1.0
152.00970	0.4
153.01799	0.7
159.04419	1.4
163.00221	0.6
164.01199	0.5
164.98215	3.2
165.98967	3.6
166.99773	0.6
171.04346	2.6
173.02342	1.2
174.03079	0.8
175.03876	1.0
176.01053	0.5
177.01826	4.1
178.99773	0.7
185.02483	0.5
187.03931	3.9
189.01849	1.5
190.99712	0.6
191.03357	0.9
199.03972	2.7
200.04398	0.5
201.01868	1.4
203.03429	2.1
204.04167	1.2
213.01880	0.9
214.02713	0.8
215.03424	17.5
217.01370	2.0
219.02771	0.9
225.01932	0.9
225.83598	0.5
227.03439	2.5
229.01402	2.5
229.04915	0.7
230.05833	0.6
231.02953	4.2
233.04486	1.1
240.04239	2.2
241.01395	1.4
242.02005	0.8
243.02943	19.4
244.03348	0.9
245.00786	1.2
246.05124	1.0
247.02464	1.7
253.01448	0.7
255.02953	0.9
256.03699	0.8
258.05402	0.9
259.02524	5.0
259.05072	0.7
260.03030	0.8
262.04825	1.0
269.00903	4.6
271.02408	5.9
277.07120	0.6
284.03418	0.6
286.04791	1.7
287.01962	16.7
288.02469	1.6
297.00369	6.1
301.03424	1.2
302.04510	0.5
303.21674	0.5
312.02725	5.2
313.03177	1.1
315.01437	33.8
316.01807	2.7
320.42841	0.5
329.03046	2.0
330.03766	70.8
331.04092	4.9
345.06097	100.0
346.06424	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	345.0612
Annotation	8-Hydroxyiristectrigenin A
Peak:m/z	Relative Intensity
51.98752	1.1
57.03308	2.9
59.01250	8.3
63.02263	14.4
65.00194	9.3
71.58037	2.2
76.65956	1.0
83.01252	9.1
83.50976	1.0
95.27248	1.2
107.01269	12.1
107.04910	1.1
108.41991	1.1
109.02836	2.1
123.04402	4.7
125.02322	17.6
126.43698	1.3
135.00714	1.3
148.01573	2.4
151.00241	8.2
161.02354	2.0
167.03392	2.3
169.01337	8.2
173.02353	1.3
174.03128	1.6
175.03761	1.2
186.03120	1.2
198.03178	6.1
200.01160	1.6
201.01921	4.6
203.03462	1.9
213.01910	1.8
214.02632	6.5
215.03453	1.2
223.87589	1.1
226.02632	3.9
227.03247	1.4
229.01326	1.5
230.02078	1.7
242.02122	6.4
243.02911	2.9
248.90681	1.1
252.00563	1.6
253.01367	4.2
254.02115	3.1
255.03064	1.3
269.00986	2.0
270.01630	6.1
271.02441	3.3
272.03107	1.5
283.02625	1.3
285.03934	2.7
290.97260	1.5
297.00339	2.1
298.01044	3.0
299.01996	2.6
313.03510	100.0
314.03986	8.4
315.04803	1.4
330.03763	1.8
345.06104	33.6
345.10205	2.1
345.22610	2.5
345.26523	2.3
346.06436	2.5
350.29782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03329	0.7
59.01250	5.6
69.03320	1.6
69.34944	6.2
71.01255	0.8
83.04900	1.1
83.86354	0.7
89.02309	0.9
97.06470	1.0
99.08035	7.5
121.02778	1.0
121.10175	2.9
122.19627	0.7
125.09594	1.5
127.11114	0.9
137.09579	1.7
139.11180	1.1
143.58929	0.6
171.10176	24.5
171.11638	1.3
172.10539	1.4
181.08601	0.7
193.12256	14.1
201.02457	2.5
207.49971	0.7
211.13341	3.0
225.14903	19.1
226.15144	0.9
243.16016	7.2
293.21259	2.7
311.01987	1.8
311.22278	0.9
325.24078	0.8
343.04395	1.0
343.24863	100.0
344.25159	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	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.12294	0.8
59.01250	5.6
66.47343	0.6
71.01257	1.4
89.02323	1.2
93.23881	0.6
99.08031	1.2
113.02287	1.0
121.02870	1.4
121.10121	8.1
123.00738	0.9
137.09607	1.7
139.11162	3.1
153.09050	0.7
170.50212	0.7
171.10175	56.3
172.10481	2.8
184.88608	0.8
201.02457	2.3
229.26097	0.8
279.17419	0.8
285.04242	0.8
293.21146	1.3
343.24860	100.0
344.25214	8.3
351.71594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19167	0.4
57.03320	0.8
59.01249	4.2
62.71573	0.4
69.03329	1.2
71.01250	1.0
83.04895	1.2
97.06450	2.2
99.08028	8.4
106.38529	0.4
109.06474	0.6
119.08478	0.5
121.02824	0.6
121.10111	3.3
123.98225	0.5
125.09601	1.7
127.11164	1.0
137.09590	1.5
139.11192	0.8
149.15430	0.6
149.19316	0.4
153.09058	0.5
165.09064	0.5
165.12767	0.8
171.10167	22.5
172.10504	1.3
175.11182	0.8
181.08585	0.5
193.12273	12.6
194.12567	0.5
201.02412	1.1
209.62079	0.5
211.13356	2.2
225.14897	17.8
226.15211	1.1
227.20071	1.2
243.15959	6.6
289.18045	4.0
293.21130	2.4
311.22205	1.0
325.23962	0.6
328.05798	0.9
343.24850	100.0
344.25235	7.4
344.29065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03302	0.6
59.01247	16.2
65.75661	0.4
68.99687	2.2
71.01250	17.0
72.99182	1.6
73.02817	1.3
75.00735	0.8
76.83572	0.4
83.01266	0.5
85.02812	3.7
87.00744	31.0
96.99163	2.3
101.02319	0.7
111.46686	0.4
112.98661	0.9
113.02322	1.2
115.00249	56.5
116.00596	0.9
127.00249	0.9
129.01842	0.4
136.59291	0.4
146.58182	0.4
157.01335	0.8
175.02386	100.0
176.02769	3.1
185.11734	2.6
217.03526	1.8
299.05774	0.5
343.04562	0.6
343.13943	17.3
343.20947	0.9
343.49899	0.4
344.14349	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	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	4.1
62.34912	0.5
69.03316	1.0
69.40165	4.7
71.01244	1.1
78.95790	0.6
83.04897	1.8
95.04890	0.5
97.02834	0.7
97.06441	0.6
99.08016	6.8
116.76510	0.5
121.02831	0.8
121.10116	2.6
125.09602	2.0
127.11141	1.4
137.09608	1.3
139.11218	1.3
151.11111	0.8
165.12729	0.6
171.10167	23.9
172.10551	1.0
193.12248	13.3
197.15504	0.7
201.02417	1.9
202.04517	0.5
211.13298	3.0
225.12750	1.2
225.14897	20.4
225.17120	1.0
226.15356	1.0
243.15948	7.8
293.21249	2.0
298.20883	0.5
311.01941	2.4
325.23801	0.6
343.24854	100.0
344.21298	0.9
344.25204	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	343.0818
Annotation	FR 901235
Peak:m/z	Relative Intensity
59.01247	6.7
68.07392	0.9
69.72523	6.5
71.01250	1.6
83.04829	1.0
100.41293	1.0
103.61610	1.0
121.02861	2.7
123.00793	1.1
144.04428	2.3
145.02831	2.3
148.01593	1.2
158.03613	1.9
170.03624	1.9
173.02306	2.1
174.03075	1.1
185.02295	1.5
185.06180	1.1
186.03070	2.6
188.03508	1.3
198.03142	5.5
201.02390	2.0
203.05717	1.2
204.29146	0.9
213.01872	12.5
214.02618	13.2
226.02570	4.5
227.03252	1.3
241.01250	2.2
241.04988	1.0
242.02153	38.6
243.02679	2.2
256.03976	0.9
257.04480	1.7
269.00836	4.8
270.01663	39.7
271.02072	3.2
285.04016	100.0
286.04367	7.8
298.00995	3.0
300.06332	23.8
301.06616	2.5
311.05829	1.0
313.03503	65.1
314.03842	6.3
315.05063	1.2
315.08701	19.1
316.09058	1.6
325.11646	1.0
328.02469	2.5
328.05838	49.4
329.06229	4.1
343.08170	80.3
343.21194	2.0
344.08588	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	343.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00491	0.7
57.03331	0.8
59.01255	7.7
65.00187	0.7
71.01244	1.0
73.05006	0.8
78.41373	0.8
88.18105	0.6
91.67152	0.6
101.02290	0.8
102.12689	0.8
118.42699	0.7
121.02831	1.3
123.00789	1.2
123.04412	0.7
125.09620	0.7
132.02101	1.4
136.98730	0.9
137.02330	0.8
144.04465	1.4
146.03651	1.3
148.01556	19.6
153.01880	0.7
155.10704	1.5
158.03627	1.1
162.05463	1.3
171.10271	1.0
173.02351	0.9
176.01070	30.2
177.01561	1.2
185.02338	6.1
186.03114	1.3
190.02609	0.8
197.11978	0.7
198.03120	3.2
200.01022	2.1
203.05862	1.7
207.10289	0.8
213.01939	1.1
213.05513	1.2
214.02681	1.9
217.01379	1.5
226.02721	4.2
227.03281	0.9
241.01385	1.6
241.05034	2.6
242.02161	3.2
253.01332	1.0
254.02150	1.9
257.04550	2.5
267.02945	2.1
269.00986	1.0
269.04477	1.8
270.01678	29.6
271.02029	1.9
282.01651	3.9
283.19025	1.0
285.04034	12.4
295.02454	3.1
297.00452	1.0
298.01144	26.7
299.01489	2.0
301.20053	1.2
312.02658	1.5
313.03522	100.0
314.03873	6.5
328.05844	87.1
329.02725	1.0
329.06186	7.5
343.08185	71.2
343.21182	8.3
343.24860	1.4
344.08478	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	343.067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35738	2.2
67.06348	2.7
70.72959	4.2
70.73314	7.1
71.01267	3.9
75.00764	2.8
87.00745	17.0
90.49033	2.5
93.03365	4.0
105.01817	24.0
105.03368	7.3
109.02829	5.2
119.23851	2.4
122.03619	7.2
123.04419	93.0
125.02344	2.6
133.02843	47.8
137.02347	3.3
151.03915	28.5
163.03839	2.9
165.03961	100.0
166.04253	5.6
173.04526	3.5
177.01831	8.3
178.02449	3.1
181.04993	5.3
181.08527	8.3
191.05559	11.4
195.02910	87.7
316.43494	3.2
343.06711	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	342.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88366	1.6
56.92552	1.7
57.03318	3.0
59.01261	10.0
60.37915	1.6
62.97686	1.8
63.02260	3.6
64.01792	3.2
65.00180	9.8
65.99713	5.1
66.03029	2.0
71.01245	3.1
75.37564	1.5
78.03222	1.5
83.01260	5.2
89.02372	1.7
95.01324	2.1
98.19798	5.6
105.03362	2.0
107.01279	13.9
108.02086	1.5
109.02830	25.6
111.00745	1.9
116.07034	3.1
119.01284	3.0
121.02823	2.4
123.00787	3.4
125.02322	16.0
133.02838	61.5
134.02359	7.8
135.04396	4.0
137.02328	16.7
138.01801	1.9
139.00314	2.1
140.03383	2.0
145.02837	2.5
146.02428	2.8
147.03165	3.5
147.04388	4.4
148.01541	2.4
148.03952	5.9
149.02290	3.4
150.01910	2.4
151.00273	35.1
160.00307	6.5
161.02406	7.2
162.01848	13.8
163.00230	3.7
163.03856	2.4
164.03423	23.1
165.01816	7.8
169.01393	1.8
171.04410	2.7
172.03976	2.2
174.05522	2.0
175.03903	5.4
176.00992	2.4
177.01845	14.0
178.99770	6.5
179.03418	2.8
183.04335	1.8
187.03949	2.2
187.99794	4.2
188.03459	8.4
189.01859	4.1
189.05405	2.7
190.01355	23.8
190.04951	10.4
192.00722	2.3
192.02951	10.4
193.01358	3.5
198.05548	1.8
199.03937	3.2
201.01849	4.5
203.03473	4.7
204.03001	2.2
205.01315	9.5
206.00957	2.0
206.04520	5.4
211.03873	3.3
213.02106	2.5
214.01317	2.6
214.05020	3.2
215.03510	3.3
215.99376	9.3
216.02959	7.5
217.04988	3.9
227.03381	6.3
228.94559	2.1
229.04918	3.8
231.03073	3.0
232.02455	29.3
238.05090	1.8
241.04950	2.3
242.04610	2.4
243.02855	4.2
253.05052	1.9
254.04735	3.4
255.02992	7.9
256.03809	10.2
257.04550	20.5
269.04529	7.7
270.04129	3.0
271.02457	7.2
275.05487	3.1
280.06198	2.1
282.04111	4.4
283.02472	6.1
284.03235	47.4
285.03979	21.4
286.03751	3.6
296.02118	2.1
297.00729	3.3
297.04031	15.3
298.03705	4.2
299.01974	3.9
299.05380	7.3
300.05112	55.4
301.03256	17.2
302.04184	8.5
314.03156	17.0
315.03983	2.3
324.01501	3.4
324.05075	38.5
342.02435	31.6
342.06165	100.0
342.19196	3.3
343.06363	6.2
343.15485	1.8
343.21225	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.9
59.01253	6.0
63.53313	0.6
65.03835	1.1
69.03322	2.8
69.93523	2.2
71.01241	3.1
71.39354	0.7
83.04900	1.3
83.89629	0.6
84.02039	1.0
85.02827	1.1
89.02296	3.9
93.47390	0.5
95.04893	0.6
97.02836	0.7
97.06461	13.7
98.20445	0.8
99.04364	1.3
101.02294	1.8
107.04888	2.1
109.02831	0.9
109.60616	0.6
110.16787	0.5
113.02301	1.2
117.56968	0.7
119.03411	1.4
125.09579	1.8
137.09576	1.3
151.03908	10.3
151.64886	0.7
165.12773	1.3
171.10152	7.4
175.11237	1.0
179.05519	1.9
183.13812	1.0
185.11800	0.8
193.12271	17.7
194.12653	1.7
197.15326	0.9
211.13281	4.8
221.11765	1.7
225.12749	1.4
225.14905	23.9
226.15186	1.3
243.15988	11.1
244.16362	1.0
253.14380	1.2
268.00031	0.8
290.83783	0.6
291.19720	0.8
313.81165	0.6
323.21979	0.8
341.14294	2.2
341.23306	100.0
342.23694	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
59.01249	4.3
69.03318	2.3
71.01233	2.0
71.44934	0.9
77.24734	0.4
83.04871	1.2
84.02032	5.5
85.02831	0.8
89.02306	2.9
95.04901	0.6
97.02830	2.1
97.06460	11.7
98.06818	0.6
99.04384	2.2
101.02319	0.9
113.02317	0.5
119.03355	0.6
119.08557	0.9
121.10193	0.6
125.09621	2.3
130.08591	1.2
135.08076	0.8
137.09618	1.6
140.52217	0.5
149.13190	0.6
151.11183	0.5
165.12778	0.8
171.10178	20.4
172.10442	0.6
175.11191	0.8
177.12706	1.1
179.05566	1.2
180.53357	0.5
183.13890	0.6
193.12254	16.0
194.12572	0.6
197.15350	0.8
211.13408	2.7
221.11807	1.1
225.14903	19.9
226.15291	0.9
243.15988	7.8
253.14326	1.5
291.19736	1.8
305.21103	0.8
341.23291	100.0
342.23618	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	341.1241
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
50.20206	0.3
51.91293	0.3
57.03323	25.6
58.03640	0.4
59.01251	5.1
69.03314	0.6
69.47514	0.7
69.47927	1.9
71.01251	4.5
71.04890	0.4
72.99162	0.5
73.02807	0.8
75.00744	6.1
85.02802	1.1
87.00767	0.7
89.02311	3.8
89.03836	0.4
93.03316	1.1
95.01256	0.7
98.20573	0.6
99.00736	1.4
99.04412	0.6
101.02311	1.8
105.01816	0.5
109.02853	2.4
113.02315	1.7
117.03317	1.7
119.03369	1.4
121.02847	24.4
122.03143	1.0
133.02814	0.5
134.03633	16.3
135.04448	3.0
136.78568	0.4
137.02309	0.5
143.03375	1.2
147.02881	1.4
149.02328	0.9
149.05963	1.6
151.00243	0.5
161.02295	1.3
161.04427	1.2
164.04752	0.8
165.03967	5.0
176.19618	0.3
178.02556	1.2
179.03575	1.9
179.05507	20.9
179.07018	100.0
180.05882	0.7
180.07382	5.2
185.00928	0.5
193.04994	16.8
194.05229	1.2
223.05983	0.9
299.15259	0.4
341.11710	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	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58692	0.8
57.03305	2.2
58.00457	3.8
59.01245	100.0
60.01576	1.2
60.86975	0.8
70.75048	1.7
70.75401	1.7
71.01248	72.6
72.99174	2.7
73.02806	1.8
75.00737	2.0
83.01251	2.3
85.02321	1.2
85.02814	9.7
87.00735	4.3
87.40836	0.8
89.02309	89.1
90.02631	0.9
95.01256	2.9
97.02808	1.0
101.02317	33.1
101.02999	1.6
113.02317	28.2
119.03378	40.0
120.03721	1.3
125.02331	1.6
131.03394	7.1
135.04346	1.6
143.03395	12.5
149.04431	5.0
153.24855	0.7
161.02405	1.0
161.04446	13.9
177.05402	0.9
179.05519	49.5
180.05884	2.2
183.49408	1.0
218.70309	1.1
221.04483	1.0
273.18573	0.9
290.06635	0.8
298.34512	0.8
341.10876	50.2
342.11166	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	341.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11884	1.4
57.03312	1.8
58.00471	2.1
59.01246	100.0
62.42546	1.6
71.01250	72.7
71.06391	3.1
72.99162	5.2
73.02816	3.3
73.46013	1.6
75.00735	2.2
85.02836	8.1
87.00744	4.4
88.96299	1.7
89.02311	87.1
89.93144	1.4
90.02619	2.0
91.92352	1.4
93.57255	1.5
95.01247	3.0
95.15744	1.4
101.02322	29.7
113.02321	26.5
117.78568	1.7
119.03381	32.7
125.02411	1.9
131.03400	4.6
143.03404	9.3
149.04510	2.8
161.04439	11.1
179.05534	43.9
253.39667	1.9
341.06775	3.2
341.10837	42.8
342.11075	2.5
358.00793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
57.03321	7.1
59.01245	2.4
68.99698	0.6
71.01256	4.2
73.02813	0.9
75.00752	1.2
84.91262	0.4
85.02836	0.7
87.00748	0.9
87.60011	0.5
89.02324	2.5
89.03823	2.9
93.03324	0.8
98.19655	0.8
99.00746	3.4
99.98769	0.4
101.02332	2.0
113.02367	0.8
117.03345	7.4
119.03378	1.4
121.02837	6.6
122.74947	0.4
129.01840	0.7
133.02838	0.7
134.03622	76.1
135.04198	2.1
137.02330	1.0
143.03468	0.5
147.02884	8.1
149.05960	7.5
150.06294	0.5
151.35614	0.4
152.77771	0.5
164.04791	0.5
165.03934	1.9
178.02634	4.7
179.03412	1.3
179.05530	4.2
179.07028	29.3
180.07423	1.0
185.88972	0.5
193.04985	100.0
194.05302	4.8
282.60443	0.5
341.08786	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	341.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41024	1.0
59.01250	12.1
69.03279	0.7
71.01247	9.2
71.58324	1.3
72.99169	1.5
73.02809	0.9
75.00733	3.8
83.28438	0.9
85.02830	2.0
87.00717	1.6
87.71843	0.7
89.02322	10.6
91.05433	0.8
93.03350	1.8
101.02319	4.9
112.63774	0.8
113.02319	3.7
115.00239	0.8
117.01811	0.9
117.03351	1.4
118.06495	1.9
119.03407	3.7
119.04910	1.9
120.66823	0.8
121.02841	12.9
132.02072	2.2
135.02884	13.6
135.04362	1.9
136.07564	1.9
137.02368	0.9
147.04405	7.5
149.02339	90.4
150.02658	3.7
152.23499	0.8
161.04477	1.1
163.03914	1.0
164.04698	66.8
165.05014	2.2
179.03331	1.4
179.05484	3.0
179.07048	3.2
180.06538	3.3
194.40295	0.7
195.96295	0.9
203.03439	0.9
222.07677	0.8
223.06061	100.0
224.06299	5.1
227.19057	0.7
249.26595	0.8
253.08461	1.2
297.07706	1.3
341.10953	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	341.0875
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.11068	0.7
57.03312	4.2
59.01255	9.6
71.01244	8.1
71.04874	1.1
71.45097	1.5
72.99174	3.8
73.02815	2.5
75.00741	45.5
81.03328	3.9
85.02821	2.2
87.00739	5.4
89.02306	7.0
91.05413	1.3
93.03339	6.3
99.00754	3.7
99.04384	2.1
101.02320	3.1
107.04913	2.5
112.53182	0.7
113.02367	1.2
119.03357	1.1
119.04930	2.0
121.02824	3.2
133.02838	1.7
134.03636	4.4
135.04408	73.7
136.04761	3.0
137.02353	6.7
143.03391	12.1
149.02338	1.0
151.00256	2.1
161.02347	3.1
161.04494	4.4
163.03903	2.1
179.03458	13.8
179.05536	100.0
179.07011	9.1
180.05879	2.0
184.84879	0.7
185.30725	0.7
193.05017	1.3
193.14888	0.8
208.98357	0.7
225.25626	0.8
296.92120	0.8
341.08817	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.65692	1.0
57.03296	2.0
57.35367	1.1
59.01249	20.4
68.36052	1.1
69.03314	1.2
71.01251	13.8
71.57721	1.3
72.99184	1.6
75.00747	1.6
80.07914	1.0
80.32293	1.1
80.99197	1.1
85.02799	2.1
88.28365	1.2
89.02306	16.3
93.03333	49.1
95.01243	1.2
101.02325	7.5
108.61556	1.1
109.02817	1.4
113.02332	5.4
119.03375	5.1
121.02833	6.3
133.02713	1.3
135.04391	2.5
137.02335	100.0
138.02739	2.6
143.03467	1.3
149.02309	2.3
149.04369	1.3
151.00298	2.2
151.03917	14.5
156.96532	1.0
161.02374	1.2
161.04514	1.4
173.04503	1.4
179.03413	15.8
179.05661	6.3
179.06984	2.7
180.03827	1.1
190.02663	1.2
206.66479	1.1
281.67426	1.2
283.06042	1.6
297.12305	1.3
298.04794	2.4
301.03009	1.9
310.79520	1.1
341.03018	2.3
341.06558	4.8
341.10788	9.3
341.14688	1.7
341.19901	1.3
342.06546	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	339.2324
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.52647	3.5
70.75521	0.4
108.39980	0.5
146.85681	0.4
163.11185	100.0
164.11513	4.2
167.54434	0.4
183.01082	1.0
295.82947	0.4
301.14383	0.4
339.20084	1.8
339.23260	45.5
340.23648	4.2
362.97079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84350	0.2
57.03327	0.5
59.01249	3.9
69.03349	0.3
70.88410	0.5
71.01250	2.7
72.36060	0.2
84.02052	1.0
85.02806	0.4
89.02314	3.4
95.01285	0.3
97.02839	0.9
97.06487	0.5
97.74306	0.2
99.04406	0.2
101.02325	1.3
106.23444	0.2
111.08034	0.8
113.02343	1.3
119.03374	1.2
127.11025	0.2
130.08630	100.0
131.08980	2.3
151.21815	0.2
161.04428	0.4
165.12767	5.4
171.10172	3.0
179.05472	1.2
191.10609	0.3
193.12273	0.6
194.06898	0.2
209.11816	0.5
209.48622	0.2
211.13351	0.3
225.14986	0.8
278.21259	0.5
284.52505	0.2
291.19809	0.4
296.22287	0.4
322.20239	0.9
340.21271	26.4
341.10928	1.4
341.23477	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	339.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31701	0.3
57.03362	0.3
59.01244	2.1
60.57811	0.3
65.00193	0.7
65.03796	0.3
67.36339	0.3
69.62130	2.1
71.01229	0.5
71.04880	0.8
79.34752	0.3
79.63326	0.3
91.01762	21.9
92.02087	0.7
101.02329	0.3
108.02042	1.3
109.02837	3.1
121.02853	0.5
125.09634	0.5
133.06453	1.4
135.00766	17.0
136.01103	0.6
143.04855	0.5
145.06479	4.4
148.01547	3.5
148.05190	2.2
148.79298	0.3
149.02321	1.7
152.36383	0.3
153.01831	20.6
153.11815	0.3
157.06447	0.3
162.03148	0.5
169.06456	0.4
171.10164	0.7
175.98508	0.3
177.12656	0.4
180.00499	1.0
180.04172	0.3
185.09627	7.1
185.28534	0.3
186.09947	0.4
187.07585	0.3
195.08191	0.5
195.52675	0.3
196.09702	0.3
203.10695	16.9
204.11069	1.2
211.07472	0.7
217.62244	0.3
223.07550	0.3
229.08675	0.8
237.09206	0.5
239.07071	1.3
241.14438	0.6
247.13348	0.5
260.01956	0.5
263.07275	0.3
277.12335	0.7
279.06610	1.5
279.10104	0.8
281.08240	0.5
295.13428	0.9
297.11328	5.2
298.11700	0.7
305.53210	0.3
321.20590	1.0
339.12323	100.0
340.12671	9.2
340.15836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85759	0.3
59.01226	0.5
62.20567	0.3
65.00200	0.4
71.58076	0.6
80.82367	0.3
91.01768	23.2
92.02082	0.4
92.96181	0.3
94.40651	0.3
108.02082	0.5
127.11213	0.3
132.05704	1.2
133.06483	100.0
134.06812	3.5
135.00769	25.5
136.01187	0.6
141.48663	0.3
148.01547	1.5
151.31548	0.3
153.01837	31.4
154.02164	1.0
164.04712	0.6
180.00557	0.8
185.09625	5.8
203.10690	12.8
204.11073	0.9
268.07343	0.5
269.08170	6.9
270.08444	0.4
321.11380	0.8
335.19992	0.3
339.12344	46.6
340.12692	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91788	0.6
55.94581	0.4
57.03313	0.7
59.01250	3.5
60.19809	0.4
63.02249	0.7
65.00192	1.6
66.15182	0.4
69.27921	3.0
69.28338	1.6
71.01268	0.4
71.04888	8.3
77.78386	0.4
83.01283	1.1
91.01768	40.3
92.02103	1.2
101.02362	0.5
107.01282	1.3
119.04942	1.9
132.05696	3.8
133.06496	4.5
135.00778	29.5
136.01103	1.1
141.81770	0.5
144.34097	0.4
145.06494	29.0
146.06824	1.5
151.00275	3.1
153.01837	63.6
154.02156	1.9
157.06482	0.6
164.04701	2.2
169.01350	0.7
169.06505	5.7
170.07251	0.8
173.09621	1.8
177.01826	0.6
183.08055	0.7
185.09641	80.0
186.10002	4.4
187.07549	4.0
187.11223	3.2
188.07903	0.4
203.10712	100.0
204.11061	5.7
229.08723	0.5
281.08319	2.3
321.11301	9.9
321.17096	0.8
322.11441	1.3
324.09982	0.5
326.35754	0.4
339.12341	99.8
339.25446	1.9
340.12701	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	339.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.1
60.22507	0.3
60.35292	0.3
63.44754	0.4
71.01261	0.4
75.78635	0.3
76.29328	0.4
91.01765	21.0
92.02090	0.6
98.20575	0.8
102.18976	0.4
108.78056	0.4
109.02841	0.8
122.03622	0.4
134.03619	0.6
135.00772	17.0
136.01135	0.4
148.05199	31.3
149.05533	1.0
150.03096	1.5
153.01834	39.0
154.02133	1.3
160.05194	0.5
162.03117	6.2
163.03871	1.0
180.04195	5.2
188.08279	1.0
203.10703	100.0
204.09171	0.6
204.11014	5.6
213.27402	0.4
229.08667	0.8
339.12360	40.0
340.12668	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	339.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61967	0.4
59.01242	2.2
63.02264	11.1
65.00189	20.0
83.01246	12.7
106.04090	3.0
107.01261	29.6
108.01584	1.0
109.02809	0.6
115.15479	0.5
121.02834	4.4
125.02320	1.5
132.05690	30.2
133.06024	1.6
138.03102	0.8
147.04401	6.0
151.00258	70.6
152.00627	2.0
161.09628	8.1
164.04686	14.2
165.01796	3.2
165.04973	0.7
169.01314	7.5
177.01840	8.1
187.11197	72.1
188.11530	4.6
193.10146	2.1
207.11588	0.8
213.09091	1.1
223.07477	0.6
251.07051	0.9
251.10732	1.5
255.10100	0.8
295.09723	5.5
296.10056	0.9
298.47192	0.5
314.14847	0.5
339.08807	5.3
339.12317	100.0
340.08810	0.5
340.12656	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	339.1084
Annotation	Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.09302	0.2
57.03345	0.3
58.81893	0.3
59.00992	0.3
59.01254	1.4
69.03333	0.6
69.25402	2.2
69.25823	0.6
70.25322	0.2
71.01251	1.9
72.99168	0.5
73.02820	1.7
81.13793	0.2
83.01261	0.9
83.33943	0.3
85.02817	2.1
86.00002	0.3
87.00758	1.0
91.44320	0.2
93.03373	0.5
97.02833	1.0
98.19843	0.6
99.00753	0.9
99.04336	0.3
101.02310	2.4
104.09294	0.2
104.51142	0.3
107.46503	0.2
109.02876	0.5
113.02337	0.4
117.03344	22.1
118.03669	0.8
119.04912	16.0
120.05258	0.4
120.57739	0.2
121.02866	0.4
123.04420	0.3
125.02336	0.9
133.02814	1.4
135.00800	0.3
135.04451	0.6
141.01859	0.5
145.02847	100.0
146.03177	4.6
149.02351	0.3
155.03334	0.5
161.04448	3.0
163.03911	13.5
164.04311	0.5
175.06062	0.5
193.07101	1.9
197.81189	0.3
206.18651	0.3
221.77644	0.3
277.02399	0.3
285.00476	0.3
311.05667	0.5
339.04895	1.2
339.10800	31.4
340.11084	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	339.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.1
59.01249	7.2
63.02264	8.0
65.00195	14.0
71.01242	1.6
71.04888	2.1
71.58128	1.4
76.18696	0.9
83.01244	8.7
88.30457	1.0
91.01767	10.9
99.90703	1.0
106.04111	1.9
107.01268	18.7
109.02827	3.7
111.13854	0.9
132.05682	16.5
135.00769	7.2
145.06467	10.9
151.00266	45.0
152.00571	1.3
153.01839	15.8
161.09612	5.6
164.04727	10.2
165.01834	2.2
169.01390	5.6
173.09616	1.9
177.01810	6.3
179.95018	0.9
185.09631	18.1
187.11200	46.0
188.11548	2.4
203.10701	25.2
204.10944	1.3
241.40201	1.0
321.11081	1.8
321.16968	1.4
339.12335	100.0
340.12640	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	339.1084
Annotation	Methyl 6-O-p-trans-coumaroyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.73893	0.6
59.01254	4.6
65.32165	0.6
69.03320	0.9
70.25556	0.7
70.63786	0.7
70.91680	1.3
70.92032	1.0
71.01257	1.9
73.02814	1.9
75.00766	0.9
83.01247	0.8
85.02835	3.0
87.00745	2.1
91.01774	1.5
93.03345	2.8
94.03689	0.6
97.02808	1.0
99.00754	1.5
101.02323	2.2
109.02853	1.1
113.02343	0.9
115.03907	0.8
117.02551	1.2
117.03353	20.0
118.03704	1.0
119.04915	15.3
119.05729	1.3
120.05199	0.8
121.02777	0.7
125.02327	0.9
130.26923	0.7
132.02901	0.8
133.02872	2.1
135.00754	4.3
135.04422	1.5
136.42082	0.6
137.02391	0.6
145.02850	100.0
145.94475	0.6
146.03172	4.6
153.01855	3.4
155.03365	0.8
161.04501	2.0
163.03915	15.9
164.04250	1.3
173.04504	1.4
177.01826	2.6
177.04010	1.5
179.30577	0.8
191.05486	4.4
192.05853	3.8
193.05846	5.3
261.67914	0.7
339.07532	1.4
339.10825	35.5
340.07068	0.7
340.11035	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0721
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
56.27369	0.2
59.01248	1.7
65.00186	0.9
65.03838	1.5
65.08183	0.2
67.01754	0.5
68.99689	0.2
71.01260	0.4
80.02562	0.4
87.42839	0.2
91.01772	53.2
91.18347	0.2
92.02108	1.3
93.03349	0.4
98.20607	0.3
105.03380	0.2
107.01300	0.4
108.02052	1.4
109.02840	14.8
110.03186	0.7
110.30843	0.2
118.75257	0.2
119.04865	0.2
121.02847	1.3
122.03299	0.2
123.04444	0.9
130.44730	0.2
133.02863	1.0
135.00787	100.0
136.01208	2.6
137.02338	2.8
147.78096	0.2
148.01642	0.2
149.02328	1.3
153.01852	61.4
153.30673	0.2
153.32016	0.2
154.02205	2.2
161.02380	1.6
163.03882	0.2
165.60097	0.2
175.03856	0.4
177.01860	1.3
187.03824	0.2
189.01855	1.5
193.05028	0.2
205.90056	0.2
229.29939	0.2
261.19229	0.2
279.05072	1.6
297.06189	1.3
328.44238	0.2
339.07205	24.5
340.07578	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	339.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98269	3.4
59.01251	22.8
59.69716	3.4
62.65796	3.5
65.20635	3.9
69.03320	8.5
69.54562	19.3
69.54971	7.8
71.01244	10.7
72.99165	4.3
83.01239	5.9
87.00764	5.5
93.03314	6.2
99.00741	6.7
101.02325	4.3
105.03288	4.2
109.02836	53.9
111.00783	4.6
119.04914	12.0
123.04460	6.6
125.02343	19.5
130.04074	5.0
133.02827	43.0
135.04413	38.8
137.02296	5.8
139.03915	4.2
145.02831	15.7
146.03598	11.3
147.04410	78.0
148.05223	33.3
149.05972	96.9
150.03169	5.5
152.81963	4.5
157.31494	4.2
159.04408	11.2
160.05147	5.5
161.02338	57.4
161.05978	40.7
162.03065	4.3
163.03918	19.1
163.07542	5.0
163.34654	3.3
165.05553	6.5
172.05139	5.9
173.02411	4.0
173.06013	22.2
174.03125	14.5
175.03893	65.3
176.04631	20.8
177.01830	30.9
177.05406	8.9
179.03432	6.6
185.04483	11.5
187.03976	4.5
188.04648	5.5
189.05502	75.6
190.05801	6.2
191.03421	13.6
191.05470	6.0
191.07048	37.0
193.04823	8.8
203.07057	15.9
205.05037	20.2
217.05000	53.1
219.02943	24.3
221.04443	17.1
235.06067	52.8
236.06534	5.5
237.04053	29.7
251.09305	8.2
277.07138	9.2
279.05066	35.0
295.08160	40.7
337.90775	5.0
339.07178	100.0
339.11105	3.4
340.07571	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	339.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93850	0.8
59.01257	5.9
69.38044	8.3
71.01244	1.6
73.02819	1.2
88.17280	0.9
89.03826	1.5
93.03364	1.4
97.16638	1.0
98.19852	2.2
104.88785	1.2
105.03358	3.3
109.02804	4.5
119.04926	5.1
119.05630	0.9
120.12009	0.9
121.05624	1.1
125.02351	2.0
129.01634	0.9
133.02853	9.6
135.04408	3.6
145.02835	2.4
147.04433	5.6
148.05203	2.4
149.05986	8.6
161.02351	4.3
161.05991	3.0
163.03912	5.8
164.04259	2.2
165.04408	2.5
173.05975	1.7
175.03888	4.9
176.04730	1.2
177.01851	100.0
178.02170	5.2
189.05481	6.6
191.05518	1.4
191.07083	2.5
203.03459	1.2
203.07079	1.4
205.04935	1.7
217.05035	4.0
219.02904	3.0
221.04544	2.4
235.06133	3.9
237.04001	1.2
275.76758	0.9
279.05057	2.6
295.08194	1.8
339.07214	7.0
339.10660	1.3
340.07574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2383
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
51.79151	0.6
59.01254	5.2
83.04888	0.7
85.02804	0.7
85.06444	2.0
98.20557	1.8
101.02319	0.7
101.89846	0.6
127.11139	0.7
165.12703	1.4
171.10181	15.5
189.81473	0.6
209.99481	0.7
251.16486	9.1
252.16740	0.7
254.51440	0.6
268.43350	0.6
319.22745	7.1
322.12317	0.5
335.22299	1.1
337.23819	100.0
338.24130	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	338.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02850	2.3
59.01243	0.3
65.30347	0.1
69.38886	1.5
81.03319	0.2
83.04893	0.2
91.01776	0.4
95.04894	0.5
97.06442	1.0
98.19794	0.3
108.56481	0.2
128.10701	9.8
129.11008	0.2
130.08627	100.0
131.08987	2.2
135.00749	0.4
135.08034	0.2
147.08035	0.5
151.11241	0.3
153.01849	0.5
163.11317	0.2
164.04257	0.2
172.09700	1.5
318.44464	0.2
320.18887	0.2
324.10025	0.2
338.19705	42.2
339.20047	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	3.3
56.01401	0.8
56.81348	0.9
57.03324	4.8
58.00455	2.0
58.72361	0.8
59.01247	28.5
62.81941	0.7
67.01766	2.2
69.03326	2.4
69.58977	1.4
69.59386	4.6
71.01249	100.0
71.04887	1.5
72.01588	1.4
72.99180	2.7
73.02811	15.7
74.89779	0.8
75.00752	5.6
78.58268	0.8
81.03349	1.0
83.01249	6.0
83.04910	1.1
85.02813	32.0
85.99957	4.5
87.00745	11.3
87.04388	2.0
87.66514	0.7
89.02303	10.0
93.03327	8.5
95.01270	4.6
96.95921	1.1
97.02820	1.6
98.20521	1.5
99.00763	6.0
99.04389	4.6
101.02312	34.4
101.05946	1.3
109.02830	1.5
111.04401	1.8
113.02321	23.2
115.03895	3.2
115.07542	2.3
117.05446	2.6
119.03391	3.2
119.04901	5.7
125.02323	3.7
127.03962	1.4
129.01825	2.4
133.02840	1.2
134.59558	0.8
135.04422	1.2
137.02341	1.1
143.03358	1.4
143.07050	2.5
145.02831	0.9
159.02887	4.4
160.01575	1.0
161.02414	1.6
161.04449	24.1
161.08092	47.4
162.04747	0.9
163.03902	9.0
173.04478	7.3
175.02350	2.0
175.03897	1.6
178.99828	1.4
187.09673	11.0
190.47377	0.8
191.05516	46.2
192.05876	2.6
193.01262	0.8
205.03474	1.1
211.07419	0.9
215.09164	3.6
221.08154	1.2
231.06755	1.0
237.06123	1.1
249.07747	1.4
250.06712	1.0
277.12909	13.3
305.12469	4.1
317.07352	0.9
327.08643	1.0
337.08951	3.0
337.14923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.108
Annotation	Crotalarin
Peak:m/z	Relative Intensity
59.01244	1.8
64.60389	0.3
65.48057	0.3
68.51668	0.2
70.10932	0.9
71.01270	0.2
84.37293	0.3
93.03318	0.3
98.50537	0.3
102.62121	0.2
109.06459	0.3
109.50874	0.3
133.02823	1.1
136.01477	0.3
163.00262	0.4
187.03857	0.3
189.01865	0.3
191.05396	0.3
209.06081	0.4
210.06653	0.3
225.05534	0.5
226.06404	0.6
237.05534	1.8
238.06290	1.8
248.23483	0.3
253.05040	6.3
254.05696	3.5
265.05066	0.7
281.04550	8.7
282.05319	9.9
283.05588	0.6
286.04883	1.0
293.04565	11.2
294.05115	1.0
303.06653	0.4
305.07922	0.3
307.06134	0.4
308.35822	0.3
314.04321	10.6
315.04565	0.7
321.07822	1.5
322.08234	0.9
337.10809	100.0
338.11099	8.6
354.07193	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1077
Annotation	Vismiaguianin A
Peak:m/z	Relative Intensity
59.01248	5.7
59.17347	0.4
59.59439	0.4
71.01247	1.3
78.52400	0.5
84.09507	0.5
91.01777	5.0
93.03339	0.5
98.19787	1.4
108.02053	1.0
109.02820	0.6
132.02084	0.5
133.02835	1.6
135.00754	3.2
141.90366	0.6
146.03627	6.5
153.01822	4.5
158.03601	0.7
160.01578	1.2
161.02354	0.6
174.03133	0.5
178.02597	1.7
178.88339	0.5
183.04402	2.6
184.05212	2.1
186.06792	1.5
191.05486	1.0
195.04459	0.8
196.05298	0.8
201.09132	14.4
202.09399	0.6
211.03937	9.8
212.04515	1.7
223.03906	0.9
224.04739	0.8
225.05505	1.9
237.05559	0.9
239.03525	2.8
240.04243	3.3
253.05035	3.1
254.05690	1.7
265.05090	0.8
266.05713	0.7
267.02957	1.1
268.03735	15.2
268.06656	0.8
269.04037	0.9
281.04553	6.1
282.05283	8.4
283.05502	0.6
293.04599	1.1
294.05362	2.3
295.09680	0.7
314.04257	2.2
321.07639	0.7
322.08514	1.0
337.10782	100.0
338.11172	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	337.1076
Annotation	Abyssinone A
Peak:m/z	Relative Intensity
58.81504	0.5
59.01247	6.1
59.59584	0.6
66.35123	0.6
70.27239	0.5
71.56922	0.9
73.08112	0.5
81.03295	0.7
85.02802	0.9
91.01756	12.6
93.03352	0.7
96.95952	0.8
100.10439	0.5
101.02330	0.6
109.02818	1.8
113.02309	0.5
114.93446	0.5
122.65298	0.6
135.00766	11.0
143.78569	0.5
149.02287	0.8
151.03893	2.4
153.01826	19.3
163.03888	0.9
173.05959	0.8
173.09544	0.8
183.08047	4.5
185.05972	5.4
186.06677	1.7
189.14459	0.6
195.13832	0.6
198.18524	0.6
199.07619	0.8
201.09122	100.0
202.09424	5.1
307.06219	0.8
319.09995	0.6
337.10785	56.8
338.11127	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	333.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28420	0.4
68.25502	0.4
69.03319	3.0
70.07495	2.2
78.03345	1.1
78.95747	0.4
80.04957	0.5
92.04932	2.4
94.06501	4.9
97.02880	0.5
98.20465	0.5
99.00755	0.9
103.04167	0.6
104.04918	3.3
105.03352	2.3
106.06503	12.3
107.03641	0.7
107.06795	0.4
108.04422	1.6
120.04446	6.2
121.05207	1.9
122.02371	0.6
122.06003	14.8
123.03144	2.4
124.07552	1.1
125.02344	0.4
131.03622	0.9
131.25687	0.4
132.04454	7.5
138.05498	23.2
139.05818	0.5
148.03929	0.8
149.69354	0.4
150.05475	2.3
159.43860	0.4
162.06769	0.4
166.04996	0.5
183.39174	0.4
185.00832	1.1
188.07123	0.8
189.07860	1.0
211.89546	0.4
213.06584	0.8
215.11752	1.0
217.07404	1.8
226.07352	0.5
228.08981	0.5
229.09764	0.9
231.11253	0.6
241.09755	2.5
243.11314	1.3
271.10873	0.8
276.89688	0.5
289.11923	100.0
290.12280	5.8
326.68881	0.4
333.06357	1.0
333.10907	6.6
334.11197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.33807	0.2
57.03315	0.4
59.01242	2.6
60.99157	0.5
67.01755	1.8
69.03311	0.5
69.25071	0.5
69.25474	2.2
71.01247	2.1
72.99184	0.3
73.02798	0.6
81.03348	0.6
83.04895	0.6
85.02818	13.0
87.00743	3.3
89.02323	0.3
93.03333	9.9
94.03670	0.4
95.01215	0.3
97.71373	0.2
98.19794	0.4
99.00757	0.3
99.04409	0.5
109.02829	0.9
111.04406	2.3
113.02328	0.3
117.03360	0.5
119.04900	3.3
127.03902	2.8
129.01765	0.2
130.23958	0.2
137.02293	0.3
145.02856	1.1
155.03333	0.4
163.03929	2.0
171.02904	0.9
173.04471	2.5
191.05527	100.0
192.05867	3.3
206.41780	0.3
290.98135	0.3
300.01852	0.2
337.09427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.9
59.01243	1.0
62.42655	0.3
67.01755	0.8
69.03322	100.0
69.29962	4.0
70.03658	1.4
71.01251	1.5
72.99165	2.4
78.95763	1.9
79.01766	1.3
80.91003	0.3
82.22082	0.4
85.02838	1.7
94.06508	0.5
95.01259	3.0
96.95899	0.5
96.96860	0.5
97.02824	19.6
98.03156	0.5
98.20560	0.9
99.00749	26.0
100.01066	0.7
104.04920	0.5
106.06506	1.7
109.02830	0.4
111.00802	0.6
113.02329	0.6
120.04440	0.5
121.74728	0.4
122.05993	2.5
123.00743	1.1
124.14141	0.3
132.04453	0.8
137.02354	0.8
138.05463	2.9
141.01823	5.8
141.02789	0.6
143.57816	0.4
147.04407	3.9
152.99454	2.2
170.59795	0.4
175.03989	0.4
185.00826	35.0
185.11861	0.5
186.01154	0.8
203.03406	0.9
209.11867	0.5
217.04964	0.9
241.01109	0.6
241.09941	0.5
245.04521	2.4
271.10895	0.8
289.03561	1.2
289.11948	13.5
290.12326	0.6
333.02481	0.7
333.06061	4.9
333.10327	0.7
341.23746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20523	0.4
59.01244	1.8
65.00169	0.4
67.01772	0.5
68.78408	0.4
69.66729	0.7
69.67131	2.4
71.01250	1.6
73.02819	0.5
74.19222	0.5
78.03371	0.8
78.95775	2.0
80.04946	0.6
83.01266	0.8
85.02830	0.4
92.04929	1.7
94.06500	4.6
103.04160	0.5
104.04950	2.5
105.03336	2.3
106.06508	12.6
108.04426	2.0
109.02824	1.1
113.02331	0.7
116.04913	0.5
120.04443	6.0
121.02817	0.7
121.05218	1.2
122.02410	0.6
122.06008	14.6
123.00779	0.7
123.03168	1.6
124.01547	0.5
125.02316	1.7
131.03671	0.9
132.04462	7.6
133.02846	0.6
134.06001	1.9
135.02983	1.3
135.04407	2.0
136.03964	0.7
136.10089	0.5
137.02351	3.8
138.05508	21.3
140.07092	0.6
148.03880	1.4
149.02357	2.0
150.03198	2.2
150.05539	2.7
151.00232	0.6
152.99507	1.7
154.04959	0.9
160.56522	0.5
164.03461	0.8
165.05487	1.8
166.04915	1.2
167.03354	0.9
174.12799	0.5
179.03424	1.2
187.09940	0.5
188.07117	0.7
189.07860	1.0
202.06241	1.8
204.04155	1.2
213.06659	0.8
215.11856	1.5
217.07341	1.5
219.06560	0.9
231.08855	0.5
241.01141	0.5
241.09770	2.1
243.11377	1.7
246.05299	0.7
261.07785	1.1
271.10895	0.9
289.11935	100.0
290.12311	6.7
333.06116	4.0
333.10883	8.3
334.10794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	4.3
59.01249	25.9
65.88150	0.7
69.03326	100.0
69.07621	0.6
70.03667	1.2
71.01253	6.5
71.07387	1.1
71.07707	0.8
72.99185	2.7
78.95779	5.8
79.01771	1.1
79.73974	0.6
80.04943	0.9
84.12063	0.6
85.02818	3.1
89.02323	4.1
95.01277	2.6
96.96842	1.1
97.02831	21.0
97.16659	0.6
99.00760	25.6
101.02335	2.2
111.88516	0.6
113.02358	2.0
119.03376	1.7
123.00774	1.2
124.01569	0.7
125.02299	0.7
141.01859	6.3
147.04399	3.3
152.99529	4.3
153.09142	2.1
185.00854	35.1
185.11760	28.6
186.01172	1.0
186.12083	1.5
239.73323	0.7
241.01178	2.0
289.03360	0.8
289.11942	1.7
331.17496	0.6
333.06009	7.4
333.09857	0.8
333.15665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0286
Annotation	CCRIS 824
Peak:m/z	Relative Intensity
53.59855	0.3
54.88807	0.3
57.03320	5.7
59.01246	1.1
65.00191	0.4
69.77312	1.6
69.77730	0.7
71.01250	0.8
71.46111	0.4
77.28825	0.3
78.95772	1.1
81.03326	3.4
82.11584	0.3
83.01243	1.7
83.04892	2.8
95.01278	0.3
97.62946	0.3
99.00807	0.3
107.01269	0.7
109.02875	0.3
123.08025	2.4
125.02330	100.0
125.05966	17.3
126.02664	2.6
126.06332	0.6
134.03496	0.8
143.07036	0.6
146.03870	0.3
152.99500	0.4
167.06981	0.3
176.04608	0.8
241.01187	0.5
253.07138	59.9
254.07484	2.9
257.81241	0.3
298.39447	0.3
330.50583	0.4
333.02777	17.2
333.11307	0.6
334.03253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0249
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
52.02928	10.0
54.15914	9.8
55.01743	19.1
57.03306	16.0
59.01247	95.4
65.00169	27.1
68.99702	13.9
69.03316	10.7
70.35445	22.3
70.35839	18.3
71.01251	66.1
72.99161	14.7
73.02812	21.6
75.00722	26.0
78.95770	44.6
83.01244	24.4
85.02827	27.0
89.02303	31.9
93.03335	13.4
95.01270	20.7
97.02846	16.5
98.20479	14.9
99.00739	36.3
101.02304	40.4
101.05931	11.1
102.09864	11.5
107.01253	39.9
108.20023	11.9
109.02837	78.3
111.00764	34.0
113.02302	24.0
121.02792	17.0
122.03685	14.8
123.00802	52.9
123.04384	14.4
124.01545	13.0
125.02309	82.4
129.01767	16.3
133.02843	46.5
136.98717	18.1
137.02307	45.2
139.00278	60.6
140.01013	14.2
141.01842	54.2
147.02946	11.3
147.04485	10.7
149.02348	12.8
149.99393	13.0
151.00270	100.0
152.01021	15.0
152.99422	21.2
153.01817	48.8
153.09212	10.9
161.02327	24.9
163.00273	37.9
165.01828	13.0
166.99741	41.9
168.00525	34.8
169.01309	48.3
175.03908	17.5
177.01842	18.7
178.99765	95.4
187.03857	19.9
190.99733	32.4
191.05620	20.1
193.01396	15.9
194.99214	23.1
197.12001	10.6
199.03969	15.3
203.03395	21.3
203.77739	10.6
206.99290	38.6
209.00961	14.3
215.03477	22.2
222.98779	29.7
223.99617	19.1
227.03542	11.0
233.00868	17.1
233.04465	24.3
241.01207	13.6
243.02942	24.9
245.04514	14.6
247.02487	13.8
259.02448	22.4
261.03995	16.9
271.02472	21.2
287.01907	27.9
288.32239	11.8
315.01471	48.8
333.02390	68.2
333.06061	40.5
333.10135	32.0
333.15366	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	331.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01215	2.0
62.02351	0.7
69.03326	9.2
69.85197	2.3
69.85599	1.2
71.01208	2.8
79.00084	0.6
84.01998	1.0
85.02784	1.0
89.02286	1.1
92.28048	0.6
97.02821	46.7
97.06449	1.2
98.03124	1.2
111.04375	1.4
113.74032	0.7
125.02280	1.1
125.05978	3.2
127.07476	0.9
135.04370	0.8
152.00751	1.7
153.01828	1.5
178.02376	5.5
191.03171	5.2
210.01346	5.9
219.06277	6.3
233.07838	1.4
233.11493	1.8
234.08519	1.2
261.11047	63.7
262.11819	100.0
263.12204	5.1
267.12094	1.1
280.64746	0.6
285.21948	0.7
286.05020	1.1
294.10806	11.1
295.10992	0.8
316.09488	1.4
331.08044	0.9
331.18872	24.8
332.19107	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0245
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
52.91182	5.6
57.03308	9.1
57.20147	5.7
59.01244	5.9
63.02260	11.1
65.00198	22.1
69.03323	23.6
71.01252	8.5
78.95775	31.7
81.03361	6.9
83.01255	21.1
84.86446	5.6
93.03329	6.3
95.01254	29.4
97.02821	8.4
99.00754	13.7
106.61561	5.3
107.01272	30.8
109.02827	59.5
111.00730	32.6
121.02847	8.2
123.00744	33.3
123.04443	5.9
123.51384	5.2
124.01561	20.6
125.02332	100.0
127.00180	6.5
133.02843	61.1
135.00806	18.7
135.04456	7.7
136.98686	10.2
137.02330	27.1
139.00244	52.0
139.03862	7.0
141.01826	19.0
147.04417	10.3
149.02336	19.6
151.00232	80.2
152.01015	18.0
152.99478	17.6
153.01837	41.3
154.99724	30.8
159.04482	7.5
160.01759	7.4
161.02328	16.0
163.00258	43.0
163.03928	8.5
164.98203	10.1
165.01819	14.0
165.98993	6.4
166.99791	19.5
167.03442	17.1
168.00528	30.8
169.01331	59.5
171.04411	11.0
175.03920	19.7
177.01854	38.6
178.99770	71.6
179.03394	15.1
181.01363	14.0
187.03963	12.1
189.01828	11.6
189.05565	8.9
191.03461	11.8
193.01340	24.2
194.99327	19.2
197.00865	31.4
199.03886	11.0
201.01874	9.3
203.03412	10.3
205.01466	11.8
206.99245	68.9
208.00040	13.0
209.00746	14.7
215.03427	19.0
217.04944	15.3
219.03070	7.9
222.98737	21.5
223.99525	12.5
227.03476	8.5
229.01195	9.2
231.02985	15.2
233.00874	8.5
233.04553	16.8
235.60132	6.5
241.01166	14.9
243.02922	22.3
245.00928	8.6
245.04477	10.2
247.02425	15.5
257.04504	7.4
259.02438	17.6
261.03943	25.9
271.02484	30.3
285.04025	44.2
287.01993	36.8
289.03482	18.0
300.02664	7.3
315.01422	38.0
315.04797	13.6
333.02420	75.7
333.06003	59.4
334.03006	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	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03958	0.8
56.98386	0.7
57.03312	1.4
57.98301	0.7
59.01247	100.0
60.01569	1.6
71.01252	9.6
71.58063	0.8
71.89536	0.7
72.99191	1.3
73.02819	2.4
75.00779	1.3
83.01271	2.8
85.02834	4.5
89.02311	1.1
95.01268	1.3
96.95919	1.2
97.00101	0.8
99.00755	1.8
101.02320	5.4
109.02824	1.8
111.00779	1.0
113.02325	3.0
125.02351	6.5
135.04335	1.4
138.99176	0.9
139.00256	2.7
149.99525	1.1
153.01840	1.7
161.04507	3.1
163.03923	1.6
165.01830	1.0
168.00554	1.9
169.01350	2.2
175.03909	1.1
212.05106	0.8
221.00693	1.0
244.03705	1.3
248.13448	1.1
266.49756	1.0
269.04544	1.2
289.16394	2.1
316.09393	0.9
331.06958	2.9
331.24991	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1184
Annotation	Lonchocarpan
Peak:m/z	Relative Intensity
50.62991	0.3
52.92030	0.3
54.05529	0.3
65.00176	0.3
65.03826	0.7
71.06309	0.7
91.05414	1.6
93.03307	0.5
108.02059	1.9
109.02822	6.1
109.99978	7.6
111.00767	0.8
121.02825	8.5
121.21773	0.4
123.00761	1.2
124.01520	0.6
125.02336	0.7
133.02844	1.2
135.00783	0.5
135.04401	33.7
136.01541	4.1
136.04750	1.5
137.02245	0.7
140.01057	0.4
147.04388	1.9
148.01576	0.7
151.03925	1.1
152.01056	0.8
153.01846	4.4
157.06494	0.6
159.85838	0.4
163.00301	1.2
164.01033	8.3
165.01788	1.4
167.03444	3.0
171.04407	0.9
173.05963	1.3
176.01071	0.8
177.01823	1.9
178.02640	0.5
179.03407	22.3
180.03918	1.3
183.04324	0.4
186.06841	0.6
187.03984	0.6
188.04767	0.8
194.05829	0.5
195.04434	0.5
196.05156	0.5
197.05992	5.4
199.03960	2.5
201.05490	0.8
202.06065	0.4
212.04671	1.1
213.05458	2.6
214.06111	0.8
215.03458	0.5
223.04028	0.5
224.04759	0.7
225.05498	5.5
227.03445	1.4
229.04985	3.5
230.05754	1.4
239.07071	0.6
241.04988	7.8
242.05663	0.9
243.02968	7.1
254.02078	1.1
257.04550	1.7
258.05246	2.5
269.04526	30.2
270.04913	2.3
271.02429	2.6
271.05258	0.4
273.07657	1.2
283.06253	0.6
284.06821	1.0
285.04114	0.6
285.07657	1.1
286.04800	51.3
287.05133	3.7
301.07141	100.0
302.07468	7.7
309.26956	0.4
316.09467	97.8
317.09802	9.7
317.13519	0.4
331.11816	25.3
332.12112	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	331.1032
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.13795	0.7
59.95029	0.7
70.98624	2.2
71.01243	3.1
72.83884	0.7
73.02816	0.9
75.28618	0.8
84.00775	1.8
85.02820	3.5
101.02306	1.6
107.85437	0.7
109.99979	8.1
113.02313	3.7
125.02336	6.5
131.03299	0.7
131.43607	0.7
136.81480	0.7
137.99490	7.9
139.00272	2.8
139.01259	0.7
140.01080	1.1
152.01070	3.2
153.01837	100.0
154.02457	5.0
155.03407	2.7
161.04521	0.8
166.02565	1.2
167.02078	1.5
167.03413	15.8
168.04193	70.2
169.01360	1.8
169.04956	11.8
175.65797	0.7
176.01091	0.8
179.03375	1.5
179.75835	0.7
191.03369	1.2
196.03735	0.8
209.04587	1.6
331.06726	1.3
331.10303	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	331.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83956	0.5
57.03304	1.5
59.01238	1.5
61.49813	0.5
63.02261	3.5
65.00179	2.8
71.01225	1.4
71.58096	0.6
83.01270	3.1
95.01270	1.3
96.15460	0.5
97.02827	0.6
104.40198	0.5
107.01262	6.6
108.02019	2.2
109.02834	0.9
119.95396	0.7
123.00737	2.0
124.01552	13.2
125.02336	18.0
126.02642	0.6
133.02869	0.7
136.01541	2.1
137.02319	2.4
149.02348	4.0
150.03107	2.1
151.00255	10.1
151.03857	1.0
152.01025	0.8
153.01814	2.3
157.72676	0.5
163.00232	1.2
164.01051	4.0
165.01840	3.2
165.05443	0.5
168.00575	0.8
169.01427	2.6
175.00273	0.6
176.01019	1.6
177.01836	7.2
178.02545	0.7
187.03923	1.0
188.96790	0.6
189.05548	0.8
190.02628	0.8
191.03410	3.4
196.00084	3.1
204.56209	0.5
211.03888	1.1
215.03410	2.3
227.03365	1.1
229.05008	1.3
231.02927	1.1
232.03764	1.4
233.04486	4.1
241.05022	1.0
246.05330	1.7
249.11151	0.7
255.02934	2.1
256.03748	0.8
257.04565	2.3
269.04559	0.9
271.02277	0.8
273.04007	2.0
283.02539	1.9
285.04001	3.4
286.01376	0.7
286.04660	1.2
297.03659	0.8
298.04675	2.0
300.02698	1.7
301.03528	24.8
301.06656	0.8
302.03876	1.2
315.05109	3.4
316.05878	14.9
316.09357	1.5
317.06439	0.7
330.23828	0.8
331.08197	100.0
331.24127	1.6
332.08463	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	331.082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90641	0.6
57.03312	2.3
59.01249	1.7
63.02267	5.5
65.00183	3.8
67.32529	0.6
68.86484	0.5
69.42310	5.0
76.39557	0.7
83.01253	5.4
88.68120	0.6
93.03339	3.3
93.03828	0.5
95.01228	0.5
98.19700	1.1
107.01259	9.0
108.02068	1.3
109.02858	3.3
113.02350	0.6
115.50697	0.5
121.02837	3.4
123.00771	1.7
124.01546	5.9
125.02329	36.3
126.02633	1.3
135.00803	1.1
136.01550	1.9
137.02345	5.6
147.04407	1.1
149.02342	4.9
151.00259	21.0
152.00949	0.8
153.01834	1.8
163.00258	7.2
163.03906	0.7
164.01050	2.8
165.01836	68.1
166.02162	3.1
169.01329	4.6
173.02432	0.7
176.00977	1.6
177.01811	4.1
179.03381	1.0
183.04333	0.6
187.03917	1.6
188.04628	0.7
189.01842	0.9
191.03415	2.7
196.00047	1.8
199.03957	0.7
211.03893	0.7
212.04315	0.7
213.05487	0.9
214.02716	0.9
215.03465	3.0
221.06042	0.6
227.03468	1.3
229.05048	2.1
231.02890	3.0
233.04512	1.1
239.03442	0.7
240.04169	0.7
241.05020	0.7
243.02853	1.1
255.02950	1.1
257.04501	5.1
259.02429	2.8
269.04526	2.8
270.05182	0.8
271.02426	3.3
273.03735	2.3
283.02460	2.0
285.04092	0.7
286.04837	11.6
287.05389	2.4
300.02612	1.2
301.03583	42.0
301.07135	6.9
302.03839	2.6
303.05133	0.7
316.05750	13.3
316.09518	10.5
317.06421	1.0
317.09921	1.2
331.08194	100.0
331.24850	2.3
332.08597	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.97092	0.3
59.40664	0.3
69.03318	3.2
71.06706	0.8
74.57545	0.4
79.01768	0.5
81.03319	1.2
82.70925	0.4
83.01260	1.1
85.31449	0.3
95.01244	0.7
97.02829	3.0
107.01260	1.4
120.45293	0.3
123.00745	4.7
124.00642	0.8
124.01548	14.7
125.02331	84.2
125.92697	0.3
126.02645	2.0
137.02316	1.0
149.02272	0.4
149.99486	32.0
151.00296	2.5
151.03955	0.4
159.41164	0.4
167.03401	1.4
168.00548	94.3
169.01285	8.3
179.03410	0.5
192.74905	0.4
193.01360	0.4
202.48853	0.4
211.02454	0.9
228.88489	0.4
313.05615	10.6
314.05957	0.8
331.06686	100.0
332.07025	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
69.03321	3.8
71.27504	0.9
81.03345	1.0
83.01260	2.4
95.01237	1.4
96.42690	0.5
97.02818	3.1
99.00734	0.6
107.01274	1.7
123.00757	5.1
124.01551	19.5
125.02332	74.1
126.02644	2.4
137.02339	0.6
149.99486	33.7
151.00284	5.1
167.03418	1.2
168.00545	71.2
169.01309	8.1
193.01404	1.5
194.05440	0.5
211.02339	1.3
313.05630	8.9
314.05716	0.6
331.06683	100.0
332.07004	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	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.94577	0.3
57.03313	1.4
58.00463	0.5
59.01246	2.4
62.10649	0.3
69.03329	1.7
70.15530	1.2
70.15880	0.6
71.01254	0.7
71.04888	0.8
83.04897	0.6
84.02064	0.5
85.02826	0.7
97.06458	0.5
99.08031	4.3
100.08347	0.4
113.17146	0.4
121.10164	0.5
125.09611	1.5
127.11192	3.4
129.09085	0.7
137.09631	0.5
139.11182	5.7
141.42566	0.4
145.25612	0.5
153.09189	0.4
155.10631	0.5
155.14401	0.8
157.12224	0.7
165.12729	0.7
167.10635	0.4
167.14293	1.1
171.10172	14.1
172.10573	0.3
181.06354	0.3
183.13838	4.2
185.11771	0.9
193.12303	1.9
197.11674	0.6
201.11331	0.6
209.11717	1.3
211.13335	21.4
212.13654	1.3
227.03506	0.3
229.14407	12.1
230.14743	0.7
241.14481	1.0
259.15469	9.0
271.02499	0.6
293.21103	1.2
299.02222	0.6
299.05414	0.8
311.22366	2.3
314.04376	1.0
314.07779	0.7
329.23303	100.0
330.23660	8.8
330.26691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0461
Annotation	Corynesidone B
Peak:m/z	Relative Intensity
52.45862	0.9
55.27293	0.8
59.01252	3.1
65.00195	7.3
68.99686	1.1
70.77708	2.9
71.01244	1.3
73.12850	0.8
84.86748	0.8
89.00207	2.0
89.02351	0.9
91.01785	1.2
93.03337	3.1
95.01271	8.2
97.02830	6.8
101.02330	1.2
108.02062	17.0
117.03351	5.3
121.02821	5.0
123.04426	1.2
124.01613	1.1
125.02316	2.8
135.85248	1.0
136.01570	34.7
137.02295	1.5
139.03873	2.2
145.02858	4.3
148.01590	1.7
149.99495	2.6
151.03914	100.0
152.04233	3.4
153.01804	1.6
158.03619	1.2
161.02359	1.9
161.58531	0.9
163.00258	1.3
165.01837	30.8
165.03218	1.8
165.40685	1.0
166.02214	1.5
168.00578	1.2
171.04440	2.2
172.05202	3.7
174.03152	1.0
175.03935	1.7
176.01064	13.2
182.03679	3.3
183.04407	7.3
184.05179	4.8
185.02403	1.1
186.03033	1.4
187.03938	1.4
189.01874	2.0
191.03419	12.1
196.05220	3.1
197.05945	1.9
199.03941	8.0
199.07538	1.5
200.04726	14.3
201.05223	1.0
202.02603	1.4
203.03377	1.9
210.03223	2.1
211.03946	4.0
213.01936	1.7
215.03412	1.6
215.07094	2.4
217.05058	1.0
225.05533	8.1
226.02638	1.3
227.03441	40.4
228.04227	42.4
229.01337	1.6
229.04346	3.3
230.02153	1.7
241.05025	1.7
243.06592	57.6
244.03532	1.4
244.06898	3.8
245.04678	4.6
245.41319	1.0
255.02885	2.9
257.03555	1.3
259.06155	5.8
268.03766	1.3
269.04614	1.5
271.02591	1.2
272.02817	1.1
273.03659	4.2
285.04111	1.4
287.05618	64.9
288.06006	5.6
290.64230	1.0
301.02716	4.4
301.06964	1.0
303.08694	3.9
313.03571	1.3
313.07159	1.5
315.04504	1.5
316.04846	20.7
317.05042	1.6
330.22772	2.6
331.03857	1.9
331.07632	13.4
331.24973	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71872	0.3
55.40990	0.3
59.01248	100.0
60.01575	0.8
71.58640	0.6
73.23007	0.3
93.60582	0.4
94.06897	0.3
97.02800	0.4
109.02804	0.4
113.02303	0.4
121.94481	0.3
123.00695	0.4
125.02350	0.5
126.47855	0.3
149.02345	0.6
151.00249	0.4
159.04440	0.4
159.75034	0.3
161.99486	0.7
167.03429	0.4
171.04460	0.7
187.03958	0.4
199.03937	1.4
207.13821	0.6
209.11781	1.3
214.02477	0.5
215.03397	0.9
225.14905	74.1
226.15282	4.1
227.03397	1.7
227.12930	0.8
242.02145	0.6
243.02950	2.2
255.02934	1.4
269.13922	11.3
270.14377	0.9
271.02493	3.2
285.03979	0.7
287.14917	1.3
299.01932	6.6
299.05505	1.8
300.02338	0.5
311.05597	4.4
312.05942	0.5
314.04297	9.0
315.04773	0.8
329.02988	1.4
329.06613	16.4
329.16116	4.4
330.07016	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54455	0.7
59.01249	100.0
60.01601	1.0
69.03304	0.8
71.01237	4.3
73.02818	1.3
73.37566	0.7
78.31353	0.7
81.03333	3.9
83.01267	2.3
85.02827	2.3
87.38194	0.6
93.03349	1.1
97.06473	0.9
97.37851	0.7
98.00352	0.7
99.04439	1.0
101.02322	3.4
107.01276	0.8
113.02355	2.1
121.02907	0.7
123.04400	23.4
125.02352	2.7
135.04424	0.9
138.09042	0.7
141.03445	0.7
144.02910	1.6
149.02371	1.6
151.00276	1.0
161.04419	4.2
163.03925	1.2
165.66818	0.8
167.03403	69.5
168.03770	2.2
175.00250	0.9
181.05045	1.9
191.03410	16.0
192.03809	1.0
209.04498	7.1
221.04602	1.8
258.06503	0.8
269.10413	2.7
301.06470	0.8
329.05682	3.0
329.08707	1.5
329.11707	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01823	1.0
51.19557	0.9
55.77237	1.0
59.01249	100.0
60.00789	0.9
69.83823	4.3
71.01242	4.0
73.02824	1.1
81.94144	1.0
85.02819	2.2
86.38813	0.9
93.03325	1.9
95.01293	1.2
98.20589	1.4
101.02291	3.1
113.02351	1.4
117.03428	1.3
119.04896	2.1
123.04391	1.8
160.39362	1.0
161.04466	3.0
163.03943	1.4
163.43782	0.9
165.69479	1.0
166.11742	0.9
167.03419	10.0
173.04417	1.4
191.05461	1.1
204.72133	0.9
269.10345	3.3
313.60443	1.1
354.31076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07978	0.6
55.46938	0.7
59.01249	100.0
60.01593	1.5
69.03357	0.8
71.01264	4.1
73.02824	1.5
83.01270	1.2
84.15797	0.6
85.02837	2.5
87.78217	0.6
89.02308	1.0
93.03359	1.5
97.02863	0.8
99.00760	1.2
101.02331	3.3
102.71301	0.7
109.02839	0.7
113.02351	2.0
121.02843	1.2
123.04442	1.2
125.02348	2.2
125.03425	0.8
135.04410	0.7
149.02446	0.8
151.00259	0.7
159.61108	0.6
160.05202	1.2
161.04495	2.6
163.03989	0.8
166.02614	7.3
167.03415	1.8
175.07549	0.9
193.52426	0.7
196.19983	0.7
269.10272	2.8
314.04456	1.8
329.09467	2.0
329.13687	0.7
330.20334	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03319	0.9
59.01246	2.0
65.00186	1.0
69.50166	1.3
69.50572	2.5
71.01204	0.6
73.54793	0.5
81.03325	5.4
83.01257	3.1
93.03349	0.6
95.04922	1.0
98.20516	0.9
107.01288	0.8
123.04401	34.3
124.04715	1.2
125.02325	6.4
149.02353	1.0
151.00294	1.8
153.06551	0.6
153.41624	0.5
163.03856	0.7
167.03403	100.0
168.03740	3.4
209.04428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1031
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
52.55021	0.6
57.03318	0.5
58.56845	0.7
59.01250	6.6
65.00192	0.9
82.41856	0.6
90.69150	0.5
102.00996	0.6
121.02831	0.9
128.28601	0.6
137.99503	1.1
142.09534	0.6
143.04897	0.9
145.02960	0.6
149.02309	1.1
151.03839	0.7
156.05669	0.6
158.03651	1.0
159.04437	1.8
160.05142	0.7
171.04427	1.2
171.10219	0.8
172.05220	4.7
172.52190	0.7
183.04491	1.4
184.05209	2.1
187.03964	3.8
198.03180	0.8
199.03960	5.9
200.04749	8.8
211.03984	1.6
212.04689	2.7
215.03439	2.9
227.03458	7.2
228.04259	5.0
240.04160	1.4
243.02907	2.8
255.02910	3.4
256.03735	13.9
257.04312	1.6
267.02979	0.8
269.00919	1.5
271.02475	18.8
271.05527	1.2
272.03043	1.3
283.02356	1.4
284.03259	98.0
285.03647	6.2
286.04773	1.0
299.01987	19.2
299.05591	81.9
300.02493	1.5
300.05966	5.4
314.04309	29.9
314.07959	100.0
315.04663	1.9
315.08301	5.9
328.22217	1.1
329.03064	1.0
329.06577	8.5
329.10361	7.8
329.13742	1.3
329.23270	5.5
347.87668	0.7
352.58011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01240	0.9
62.91025	0.2
67.01757	0.3
71.01257	0.3
71.58188	0.2
77.55538	0.2
82.70252	0.2
83.01302	0.4
93.03337	0.2
95.01263	0.5
107.01234	0.2
108.02067	0.8
111.00758	1.7
123.00741	1.0
124.01540	1.8
139.00307	0.7
144.02959	0.2
149.02342	0.3
151.00249	0.3
152.01057	8.0
166.02641	0.7
167.03406	100.0
168.03749	3.9
212.27977	0.2
329.02887	0.4
329.08783	7.1
330.09253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60635	0.5
55.18031	0.5
59.01242	4.4
65.00191	0.7
69.33641	4.5
73.24660	0.5
75.57613	0.6
109.02834	0.6
119.01238	0.6
121.93346	0.5
133.99944	0.9
143.04884	1.8
147.00810	0.9
148.01555	1.4
149.02271	1.1
155.04887	0.9
157.02841	1.0
159.04411	1.4
161.99490	3.4
163.00220	2.2
170.03452	0.5
171.04411	7.1
182.03519	0.5
183.04405	2.1
187.03954	4.7
189.05457	0.8
189.99017	0.6
198.03098	0.9
199.03909	9.8
211.03951	1.0
215.03418	6.3
225.01927	1.0
225.14902	3.3
226.02539	0.6
227.03418	13.0
228.03743	0.7
243.02924	13.5
244.03238	1.2
253.01390	1.8
254.01637	0.5
255.00279	0.7
255.02953	12.6
256.03329	1.1
270.01587	1.0
271.02460	22.6
272.02823	1.6
281.00934	0.7
282.01593	1.4
296.03149	2.0
298.01074	1.0
299.01938	42.4
300.02188	2.6
313.03387	1.0
314.04291	100.0
315.04688	6.4
329.06635	81.5
330.06976	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	329.0665
Annotation	Malvidin
Peak:m/z	Relative Intensity
51.24699	0.6
59.01250	3.4
59.93531	0.5
62.91737	0.7
65.00179	1.3
72.74590	0.6
73.02783	0.7
88.26315	0.6
88.42883	0.7
91.01768	37.2
91.18330	0.7
91.27188	0.6
91.99952	0.6
92.02114	0.9
107.01244	0.8
107.71786	0.6
109.02854	3.0
119.01224	1.3
121.99873	0.6
123.00758	0.7
133.99947	1.0
135.00775	20.8
136.98648	0.9
137.32709	0.6
139.03859	0.6
143.04868	2.3
147.00754	0.8
148.01563	2.6
149.02367	1.4
149.99524	0.7
151.00301	0.7
153.01842	30.1
155.04846	1.4
157.02852	1.4
159.04382	2.3
160.98637	1.5
161.99477	4.8
163.00336	1.0
169.02882	0.7
171.04430	8.4
182.03615	1.7
183.04396	2.0
185.02356	1.7
187.03903	5.8
187.85481	0.7
189.98979	1.6
197.02267	1.0
198.03125	2.3
199.03931	10.8
210.03130	2.1
211.03816	1.2
213.01863	0.7
215.03438	8.9
225.01909	1.2
226.02585	2.3
227.03445	15.8
228.03809	1.0
229.15251	0.7
238.02638	1.8
242.02132	1.1
243.02960	15.8
253.01355	2.9
254.02081	1.8
255.02959	18.0
256.03412	1.0
270.01624	2.3
271.02469	34.4
272.02744	1.9
281.00778	1.4
282.01624	2.6
284.03363	0.8
297.00687	1.0
297.03995	17.6
298.01154	2.5
298.04306	1.2
299.01941	58.7
300.02319	5.2
313.03296	1.7
314.04288	100.0
315.04614	7.1
329.06641	76.3
329.23181	1.3
330.06982	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	329.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01224	1.9
65.00166	0.7
95.01245	0.8
123.00775	8.9
135.00739	1.4
143.04880	1.4
147.00764	0.8
147.30960	0.6
149.02335	1.2
151.00226	1.0
155.04887	1.8
159.04381	1.5
163.00270	1.4
163.03845	0.7
171.04445	4.2
175.00327	1.5
175.03900	1.7
180.51233	0.6
183.04439	4.7
185.02327	1.5
187.04002	2.7
191.03474	0.8
193.95337	0.6
197.02347	0.7
198.03096	0.9
199.03943	10.7
201.01897	3.1
203.03456	3.5
205.03699	1.3
209.02422	0.6
211.03943	1.6
212.04535	0.7
213.01836	1.2
214.02621	1.4
215.03416	5.4
217.04988	1.0
218.05757	0.9
225.01840	1.6
226.02631	1.7
227.03452	36.1
228.03796	2.6
229.01303	1.8
229.28296	0.6
231.02936	2.3
241.04961	1.0
242.02039	1.8
242.05797	12.3
243.02972	13.3
243.05684	1.0
244.03400	0.6
251.08186	0.7
253.01396	6.2
254.02109	1.4
255.02986	13.6
256.03448	0.6
257.04562	0.9
258.05371	0.9
268.03741	0.9
270.01688	0.6
270.05261	1.8
271.02466	43.6
272.02780	2.2
281.00900	6.6
282.01654	2.1
285.03961	2.1
286.01437	1.2
286.04703	6.4
296.03210	2.2
297.04163	1.3
298.01108	0.8
299.01956	50.0
300.02350	3.8
301.03653	0.8
313.03513	1.5
314.04306	100.0
315.01266	1.2
315.04605	7.8
329.06644	96.7
330.03549	1.0
330.06998	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	329.0665
Annotation	Jaceosidin
Peak:m/z	Relative Intensity
59.01251	5.5
61.98256	0.4
65.00166	1.3
65.49201	0.5
65.74516	0.5
69.81522	2.4
71.01207	0.5
95.01219	0.4
97.02806	0.7
121.02813	0.4
121.77498	0.4
135.00728	0.9
135.04385	0.8
137.02280	0.6
148.01498	0.5
149.02309	1.5
151.00250	1.5
159.04361	0.6
163.00252	0.6
164.01030	1.3
165.01791	2.2
165.12778	0.9
171.04352	0.7
171.10196	0.7
183.04349	1.1
187.03831	0.6
197.11769	0.5
199.03900	1.7
201.01976	0.7
215.03386	1.1
227.03438	3.6
229.01411	0.8
231.02963	0.5
242.02126	0.8
243.02975	4.9
244.03667	0.7
255.02969	1.2
256.03613	0.6
270.01688	0.5
271.02475	68.5
272.02823	3.8
284.03253	1.1
285.03894	2.2
286.04532	0.9
287.05493	0.8
298.01102	1.1
299.01974	56.2
300.02252	4.3
313.03488	1.0
314.04315	100.0
315.04648	6.7
328.22098	3.9
329.06683	19.9
329.10107	1.0
329.13437	0.8
329.22833	7.7
330.06989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06990	0.3
59.01252	1.9
65.00191	0.5
68.99635	0.4
69.35247	2.4
83.23892	0.3
91.01767	5.5
94.00485	0.4
98.20566	0.7
106.00491	0.5
109.02809	1.7
119.01240	0.7
121.02843	0.4
122.00011	0.6
133.02843	0.6
133.99991	1.0
135.00758	3.7
136.98701	0.4
139.03905	0.4
143.04916	1.5
147.00760	1.3
147.04384	0.5
148.01572	1.5
149.02380	1.7
149.99510	0.5
151.00273	0.6
153.01855	3.4
155.04933	1.0
157.02849	1.3
159.04425	1.6
160.98642	0.9
161.02391	0.6
161.05995	0.4
161.99489	4.1
163.00244	2.2
169.02879	0.4
171.04417	8.1
172.04706	0.4
182.03661	0.8
183.04402	1.6
185.02336	0.7
187.03934	4.9
189.05458	0.5
189.98987	1.0
190.99686	0.5
197.02394	0.6
198.03139	1.2
199.03911	10.1
200.04208	0.4
203.03415	0.8
210.03262	0.3
211.03929	1.1
214.02583	0.7
215.03445	7.0
225.01901	1.0
226.02634	0.8
227.03452	14.5
228.03732	1.4
242.02271	0.5
243.02951	15.7
244.03343	1.0
253.01488	1.7
254.02219	0.6
255.02950	15.7
256.03357	0.9
268.03876	0.3
270.01630	1.0
271.02460	31.9
272.02756	1.7
274.98294	0.3
281.00964	1.1
282.01578	2.4
285.04117	0.7
296.03217	2.7
298.01172	1.5
299.01944	56.6
300.02264	3.8
313.03522	1.4
314.04294	100.0
314.99448	0.5
315.00958	0.5
315.04648	6.9
328.21826	0.4
329.01147	5.4
329.06641	82.8
329.23300	3.1
330.01599	0.7
330.06998	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	329.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	7.0
69.28415	7.8
85.71103	0.8
91.01276	0.7
91.01786	3.2
93.03310	0.8
101.02325	0.7
104.03400	2.5
105.92920	0.7
109.02837	0.9
114.66655	0.7
116.36794	0.7
121.02825	13.1
135.00795	3.0
135.04468	1.0
137.02422	1.3
137.99641	0.7
143.57028	0.8
151.00240	1.3
153.01875	1.3
155.63440	0.8
159.04398	0.8
160.64713	0.8
165.01855	11.5
167.03403	0.8
171.04442	1.6
183.13733	1.0
185.02341	1.2
187.03989	1.0
199.03989	2.9
200.04767	0.8
201.01807	1.6
211.03836	1.2
215.03423	2.3
227.03455	3.0
240.04259	0.7
243.02959	22.6
244.03311	1.0
248.45309	0.7
255.02904	2.2
257.04428	1.2
268.03745	2.6
269.00931	1.0
269.04080	0.9
271.02451	76.5
272.02734	4.5
283.02466	0.9
285.04044	6.6
296.03217	1.7
297.04062	1.8
299.01938	97.9
300.02200	6.4
311.22247	1.2
312.18896	0.8
313.03555	10.5
314.04288	75.7
315.04678	5.7
328.22110	1.7
329.06625	100.0
329.23105	7.7
330.06900	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	328.0461
Annotation	3',5'-Cyclic dGMP
Peak:m/z	Relative Intensity
57.01281	0.4
57.03325	2.9
59.01239	0.5
61.34746	0.5
63.02262	0.9
65.00191	2.2
65.10482	0.4
69.29776	5.1
72.21906	0.5
74.02326	0.9
83.01257	3.8
97.08295	0.4
102.03374	0.7
106.82588	0.5
107.01273	6.0
113.56249	0.4
120.04493	0.9
121.02860	1.0
125.02345	27.4
126.02637	0.5
133.02855	10.8
134.02359	1.5
135.04427	0.5
142.01608	0.5
143.04871	0.5
146.02319	0.5
148.03917	0.8
149.02364	2.6
151.00273	14.0
151.01482	0.7
158.02393	12.8
171.04390	1.0
175.03906	3.2
176.03453	10.5
177.01894	0.5
192.02896	3.2
199.03940	4.1
201.01854	1.6
202.01390	36.6
203.01721	0.9
211.04007	0.6
215.03436	0.8
217.05022	2.1
218.04492	2.0
220.02483	1.5
223.03870	0.7
227.03416	2.4
229.05037	0.6
239.03436	1.0
240.06285	0.5
241.04893	0.8
242.02296	0.6
242.04643	2.1
243.02933	2.0
255.03004	1.8
257.04416	0.8
266.04605	1.0
267.02930	0.7
271.02545	2.2
283.02509	2.7
284.02966	1.0
284.05725	2.5
285.04034	29.7
286.04395	1.7
299.01968	2.8
300.05154	3.0
310.03616	3.9
311.01843	2.9
314.04324	3.8
327.21906	0.6
328.04611	100.0
329.06229	5.5
350.37195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36064	1.7
57.03321	3.7
59.01244	10.3
65.99715	5.7
66.92132	1.5
67.31920	1.6
69.94976	9.5
71.01227	4.2
73.02815	5.3
81.03338	1.7
83.01234	5.1
93.03326	5.8
95.01237	2.2
95.04960	1.9
97.02834	6.6
98.20427	3.3
101.02285	2.6
107.04900	2.4
109.02825	25.8
111.04380	1.8
115.65523	1.8
116.37458	1.6
119.04892	2.7
121.02846	7.2
122.03616	4.7
123.04393	12.0
125.02342	22.6
133.45567	1.7
135.04414	8.8
137.01262	2.1
137.02335	40.8
139.03897	9.1
145.02841	4.0
146.03519	1.7
147.04364	2.9
148.03935	11.1
149.02316	13.4
150.03125	8.1
151.03891	16.7
152.26373	1.7
160.03905	5.0
161.02341	10.7
163.00420	2.3
163.03918	10.0
164.01024	5.9
164.03421	3.8
165.01859	20.7
166.04979	2.7
167.03392	6.1
172.03941	9.9
173.04498	2.1
173.05977	3.2
174.03171	1.6
175.03932	5.5
176.01077	3.6
176.03403	6.2
177.01828	6.4
177.03711	2.1
177.05336	1.7
178.02599	2.5
179.03458	12.9
190.04987	8.2
191.03419	5.7
197.05948	2.2
204.02995	2.7
205.05026	3.4
213.05481	4.6
215.07094	35.0
216.07368	2.9
218.04451	3.6
233.08156	6.7
236.68481	1.6
239.07108	2.2
242.08101	2.8
242.34297	1.8
243.06516	2.2
245.25334	1.8
257.05573	2.5
257.08154	16.8
259.06006	6.9
260.09235	2.1
283.06027	2.3
284.09280	10.3
286.07132	2.4
288.06332	3.9
290.07510	3.8
299.03955	1.8
301.07117	38.1
302.07495	2.7
310.07193	7.6
328.08264	100.0
329.08551	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03314	1.7
57.79025	0.4
58.00458	0.5
59.01232	1.3
66.46951	0.4
69.03322	1.1
69.47327	3.3
71.01247	1.4
71.04887	0.7
71.31672	0.3
73.02822	0.4
78.93760	0.3
80.02569	0.4
81.03311	0.6
83.04890	1.2
85.02817	5.5
93.03312	0.4
95.04902	1.0
97.02835	0.7
97.06449	5.4
104.84632	0.3
107.01305	0.4
109.06469	0.8
123.08026	0.7
125.09586	1.5
126.96545	0.4
127.11163	1.7
130.68539	0.4
137.09595	0.6
147.04373	0.5
155.10692	1.2
155.14371	1.2
163.11214	0.4
163.18263	0.4
165.03888	0.6
165.12749	1.2
167.14272	1.1
171.10175	11.7
176.03481	0.6
177.12762	1.1
181.12233	0.8
183.13803	4.7
185.11707	2.0
193.12225	1.6
197.11812	0.9
203.10693	0.8
203.67546	0.4
209.11800	2.1
211.13326	25.7
212.13643	1.3
221.11758	3.9
225.01825	0.8
229.14400	16.1
230.14917	0.8
239.12845	3.3
240.57481	0.5
268.23895	0.4
269.00714	0.7
283.06183	0.7
284.03073	0.5
291.19638	4.2
299.05502	1.1
309.20728	1.6
312.02682	1.2
327.05066	3.1
327.21738	100.0
328.04752	0.6
328.22052	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.2
58.00468	0.3
59.01252	0.6
65.29204	0.3
69.03328	1.6
69.42208	2.4
70.04715	0.3
71.01256	1.2
71.04906	0.4
73.02808	0.5
83.04893	0.9
84.02057	0.5
85.02824	7.0
87.04417	0.3
95.04893	1.1
97.02841	0.8
97.06460	5.2
109.06468	0.5
110.03637	0.5
119.08531	0.6
121.10125	0.2
121.36910	0.3
122.69037	0.2
123.08057	0.3
125.09590	1.8
125.50220	0.2
127.11160	2.2
137.09592	1.6
146.09975	0.3
155.10667	1.5
155.14340	0.5
163.11234	0.4
165.12785	1.4
167.10692	0.5
167.14322	1.1
171.10184	18.8
172.10538	0.5
175.11217	0.3
177.12758	1.0
181.12270	0.9
183.13811	5.2
185.11742	2.1
193.12253	1.9
197.11719	1.0
197.67448	0.3
201.11288	0.6
203.10674	0.4
209.11830	1.6
211.13341	22.3
212.13672	1.1
221.11769	4.1
229.14407	14.8
230.14774	0.8
239.12871	2.6
240.04054	0.4
247.20581	0.9
284.03311	0.5
291.19653	4.8
309.20673	2.2
312.02859	0.9
327.05054	1.9
327.21759	100.0
328.22153	9.1
328.26044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03311	1.5
59.01244	0.5
62.61883	0.3
67.37848	0.3
69.03311	1.4
71.01257	0.5
71.45257	0.6
77.04290	0.3
83.04884	1.0
85.02826	5.8
95.04919	0.8
97.02827	0.6
97.06468	4.5
101.93064	0.4
110.03574	0.7
123.08024	0.5
125.02065	0.3
125.09617	1.3
127.11201	1.9
137.09622	1.0
155.10669	0.7
155.14299	0.8
160.67372	0.3
165.12791	0.6
167.14333	0.9
171.10170	11.8
172.10593	0.4
177.12802	1.0
183.13846	4.6
185.11769	1.4
193.12289	1.3
197.11726	0.7
206.32980	0.4
209.11775	2.0
211.13333	23.9
212.13673	1.4
221.11739	3.9
229.14397	14.3
230.14560	0.5
239.12901	1.9
291.19684	3.7
309.20682	1.4
327.21738	100.0
328.22092	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	3.5
59.01248	100.0
69.03307	3.6
71.01246	48.9
71.58393	6.2
73.02814	56.9
75.00733	5.5
83.01260	22.0
85.02834	12.5
87.00742	4.2
89.02336	8.8
93.03339	36.7
96.99210	7.3
97.02807	3.4
101.02316	45.1
107.04904	4.5
109.02840	13.4
113.02329	14.0
117.03347	3.5
119.03371	3.7
119.04903	32.9
121.02817	4.0
123.04420	10.5
125.02329	14.7
131.03421	6.3
131.04935	4.7
133.02831	9.4
135.04428	16.0
137.02342	18.0
139.03839	3.0
143.04924	22.6
145.02823	5.9
147.04381	3.8
148.03960	3.7
149.02380	5.4
150.03098	5.4
151.03906	6.3
155.03490	3.5
161.02380	2.9
161.04527	10.4
163.03949	23.2
165.01837	10.3
165.04015	16.4
172.03876	4.2
173.04492	5.6
179.03375	10.2
211.07602	11.1
215.07213	6.6
235.07674	6.9
237.09161	8.1
257.08130	4.9
265.08713	19.2
283.09717	3.2
289.07199	16.2
301.07153	11.9
302.74588	3.0
309.07614	7.4
310.07175	4.1
327.08777	79.8
328.08340	28.3
338.20029	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	327.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75658	3.3
58.71791	4.2
59.01247	100.0
71.01241	32.1
71.58356	5.2
71.58710	4.1
73.02818	40.6
75.00779	3.8
83.01274	11.6
85.02847	8.7
87.00766	4.8
89.02335	10.1
93.03330	42.6
96.99224	4.5
101.02325	39.4
113.02339	16.3
118.54774	3.5
119.04913	33.2
121.02872	5.8
123.04411	83.2
131.04910	6.2
131.94765	3.6
133.02853	5.6
137.02339	8.1
143.04939	26.5
145.02869	5.0
145.48784	3.7
147.04459	12.0
161.04454	7.5
163.03957	12.3
165.03947	4.4
165.05342	4.3
211.07541	6.0
237.09189	8.3
256.35864	4.1
265.08600	29.3
267.08704	30.5
285.09805	50.0
309.07758	9.5
323.70731	3.7
327.04962	9.2
327.08667	89.4
328.09177	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0872
Annotation	Kaempferol 3,5,7-trimethyl ether
Peak:m/z	Relative Intensity
52.38548	0.5
53.74497	0.5
59.01247	13.9
71.01261	4.9
73.02819	5.5
74.73788	0.5
83.01256	2.2
85.02816	1.5
89.02291	1.6
93.03329	42.8
94.03651	1.2
96.99188	7.9
101.02316	5.9
106.04090	0.7
107.04882	1.2
108.02032	1.1
109.02842	0.7
113.02319	2.5
117.03344	3.1
119.04906	32.9
120.05290	1.0
121.02824	0.9
123.04397	14.7
130.04108	1.8
131.04932	9.2
132.05753	0.5
133.02835	7.1
135.04489	0.8
135.37827	0.5
137.02350	7.0
143.04910	27.3
144.05252	1.3
145.02853	5.9
145.06427	0.5
147.04449	2.7
159.04404	1.3
161.04413	1.2
163.03908	13.3
171.04376	3.6
210.06841	0.7
211.07562	9.6
212.07869	0.7
219.08080	1.2
221.09636	1.7
222.06705	0.5
223.07643	2.6
235.07570	6.8
236.08165	0.6
237.09146	8.4
239.10738	0.8
263.07080	0.9
265.08670	26.3
266.08908	1.7
267.08780	3.0
283.09644	1.5
285.09790	4.4
309.07654	8.2
327.08698	100.0
328.09109	7.9
328.12851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48565	0.6
59.01239	2.1
71.01239	1.0
72.99180	0.7
73.02819	0.6
75.00744	2.4
84.49339	0.5
87.00745	23.4
89.02316	1.0
93.03266	0.5
99.00743	3.3
101.02309	1.8
105.01810	27.6
107.04907	0.5
119.03396	0.7
121.62626	0.5
129.17133	0.6
133.02809	1.2
134.03632	2.9
135.04407	38.9
136.04756	1.0
147.02879	6.4
161.02293	0.9
165.03952	100.0
166.04274	2.6
179.03410	22.0
180.03815	0.8
226.64975	0.5
267.10730	0.6
327.07022	1.2
331.12338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.8
59.01244	7.5
70.39986	0.6
71.01254	6.6
71.57513	0.9
72.99190	1.2
73.02806	1.6
75.00745	9.1
85.02819	1.8
87.00742	15.9
89.02305	6.5
99.00751	2.5
101.02306	5.1
105.01814	17.0
107.04883	0.9
109.02856	0.7
113.02351	2.7
119.03387	2.9
121.02852	0.8
129.01862	1.4
133.02940	0.7
134.03622	2.2
135.02835	1.5
135.04410	36.4
147.02887	4.6
161.04471	0.8
165.03952	100.0
165.07625	2.0
166.04285	2.0
179.01828	1.6
179.03412	31.7
179.05270	1.1
179.05569	1.5
180.03732	1.0
198.66641	0.8
237.06125	0.9
258.77261	0.7
267.10919	1.4
327.09235	10.1
327.12958	2.0
327.16687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70674	0.9
59.01250	3.0
68.17844	0.8
69.52519	0.7
71.01241	2.2
83.01258	1.8
85.02822	1.6
89.02343	0.9
93.61629	0.7
96.95824	1.0
101.02326	1.6
112.01659	0.7
121.02902	1.0
133.02867	1.4
135.04381	1.0
141.03462	1.0
145.02890	0.9
148.66643	0.9
149.02289	1.7
151.00253	1.7
153.01839	0.9
155.10609	0.8
165.03883	0.8
165.12686	0.8
169.02853	44.7
170.03162	2.3
171.10141	1.8
175.00304	1.3
185.02354	29.1
185.18748	0.8
186.02676	1.1
190.02597	2.2
191.03043	1.3
197.02370	50.6
198.02780	2.3
199.04089	1.2
201.01857	1.1
202.01477	1.9
205.04959	3.3
206.05344	1.5
209.02455	1.1
211.03925	2.2
211.13362	2.2
213.01863	8.3
225.01875	96.4
226.02238	5.5
229.14395	1.2
229.18629	0.8
237.18631	0.8
240.04146	0.8
241.01372	40.5
242.01836	1.8
253.01337	2.5
256.03705	1.3
269.00891	37.2
270.01196	1.6
281.00900	2.5
283.02258	1.0
283.19080	1.9
284.03241	17.6
285.03937	8.4
286.04428	6.5
287.04880	1.0
297.00394	8.6
298.01089	1.5
302.93619	0.9
312.02737	100.0
313.03140	7.8
327.05090	76.5
327.08435	2.4
327.12027	1.7
327.18088	1.1
327.21701	13.9
328.05222	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	327.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
58.69935	0.4
59.01247	8.8
59.91901	0.4
71.01248	2.4
71.37900	1.0
72.99188	0.7
73.02805	0.9
73.49701	0.4
75.00743	2.9
78.61186	0.4
85.02821	2.5
87.00743	22.7
89.02309	0.9
90.78677	0.4
93.03316	3.3
99.00746	3.7
101.02339	2.3
105.01810	25.9
105.98914	0.5
107.04924	0.7
113.02293	0.6
117.01807	1.4
119.04888	1.3
121.02812	0.5
121.06493	3.0
125.02331	0.4
129.01822	0.9
133.02806	0.7
134.03632	3.0
135.04404	30.6
136.04630	0.7
147.02892	4.4
148.01550	0.6
149.02293	0.5
161.02293	0.8
163.03891	0.7
165.03926	100.0
165.05437	44.2
166.04285	2.0
166.05800	1.5
179.01811	1.0
179.03401	17.4
180.03671	1.0
183.52579	0.4
327.07300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.8
59.01254	1.7
59.03155	0.3
64.25389	0.2
64.91488	0.3
69.03336	0.6
71.01251	0.4
71.04887	0.4
78.12591	0.3
81.99316	0.2
83.04899	0.6
84.02053	0.4
85.02857	0.3
91.13716	0.2
97.06480	0.9
98.19779	0.7
111.08021	1.8
116.07055	100.0
117.07394	2.0
119.77540	0.2
125.09577	0.4
134.04810	0.2
136.08388	0.3
137.09604	0.4
153.09116	0.8
154.09430	0.7
165.12756	7.3
166.13004	0.2
169.12231	1.0
171.10172	3.1
172.10500	1.6
191.10742	0.3
197.11757	6.1
199.13353	0.7
201.11169	0.4
209.11765	0.9
211.13451	0.6
229.14487	0.8
251.38249	0.2
290.18375	0.4
291.19669	0.4
308.19144	0.5
309.20596	0.8
326.19727	27.8
327.21808	14.2
339.41696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2017
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03329	1.1
59.01243	9.5
63.96103	2.7
65.43568	0.9
65.62910	1.0
70.92645	1.5
70.92966	2.2
71.01248	1.4
71.04908	1.1
121.02861	4.2
122.03632	4.4
136.05220	1.5
153.25911	1.0
165.12749	1.3
167.14284	7.6
177.09460	2.0
183.01071	1.3
193.15910	3.9
207.17476	4.4
231.17528	2.9
233.15492	1.1
247.17090	1.9
249.18542	36.6
250.18883	1.4
262.52124	1.2
270.76706	1.1
275.16489	29.9
275.19397	1.9
276.16904	2.2
278.59851	1.0
281.18494	1.0
281.21231	7.7
289.18298	1.2
293.17569	100.0
294.17886	8.0
307.19180	5.2
312.60739	1.1
325.20230	83.5
325.23666	5.1
326.20679	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	325.2023
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03319	1.0
58.00456	1.3
59.01251	7.2
69.03339	2.2
71.01250	3.5
71.04906	1.1
72.01994	0.9
74.48073	0.7
80.02545	1.9
81.03318	1.8
83.04906	5.7
84.02032	2.9
85.02830	1.4
95.04907	1.5
97.02828	2.4
97.06460	3.0
98.20540	2.2
99.08031	3.4
109.06458	1.9
111.04437	0.9
111.08080	1.6
113.96765	0.7
115.07536	2.0
116.07053	4.7
121.02789	0.9
121.99574	0.9
125.06028	0.9
125.09614	3.7
127.07547	12.9
134.35770	0.7
135.08035	2.0
137.09604	1.4
139.07562	3.1
141.12747	1.2
149.09631	0.8
155.10706	2.3
157.08623	1.4
163.11194	6.4
165.12781	3.8
171.10176	2.6
178.09924	1.7
179.10771	1.0
181.12238	1.9
185.11734	12.8
186.12068	0.8
191.10724	2.3
195.10187	4.3
197.11766	17.5
198.12071	1.7
200.08429	0.8
209.11766	100.0
210.12122	4.3
211.13376	2.0
225.11244	1.0
227.12901	5.5
233.11482	1.0
237.11301	1.4
238.12068	5.7
238.38960	0.8
239.16510	1.0
245.19034	2.2
256.13138	2.3
261.14691	0.8
263.19974	1.1
265.07678	1.2
279.19608	1.1
289.18079	7.9
307.19144	71.7
308.19400	5.5
310.01126	1.7
325.03552	1.8
325.10416	1.0
325.20197	38.5
326.19992	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.68494	10.1
57.03326	17.9
58.67682	10.5
59.01252	100.0
62.59008	9.4
69.03329	24.8
71.01250	15.7
71.37663	18.1
71.38000	11.4
73.48268	9.2
81.03332	18.5
83.01261	28.9
83.04892	20.7
89.02290	10.9
95.04910	19.1
97.02837	23.9
97.06450	26.6
101.02275	11.0
109.06457	10.7
123.04391	28.7
123.07998	25.5
125.09627	63.7
137.09605	30.4
141.12691	10.9
163.11185	30.2
167.10672	48.9
181.12257	23.0
185.11732	37.0
191.10655	14.4
207.10127	29.6
209.11755	79.8
215.12856	14.1
225.11299	13.5
227.12688	12.1
233.14796	9.8
237.66589	11.4
245.19182	17.8
289.18063	22.5
307.19135	29.0
325.20334	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	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03305	1.5
59.01237	2.6
66.02456	1.0
69.03309	1.2
69.34224	4.5
69.34651	6.6
71.01247	4.1
71.04868	2.9
72.02018	1.6
73.02802	1.5
83.04903	5.3
84.02035	3.9
95.04900	2.3
97.06438	3.3
99.04343	2.0
99.08018	3.2
106.86789	1.1
108.02061	1.3
109.06470	2.2
111.08028	2.0
112.05196	2.2
115.07504	3.0
119.85107	1.4
123.08014	1.8
125.09638	7.3
127.07523	17.2
135.08023	3.1
137.09554	2.0
139.07512	3.7
153.09102	16.9
155.10672	4.0
163.11172	3.1
165.12766	3.2
171.10159	19.2
178.09898	2.7
181.12297	1.4
185.11739	17.3
191.10674	1.4
197.11771	18.2
207.10083	1.4
209.11758	77.0
210.12071	3.3
238.12022	7.4
245.19044	2.8
256.13065	3.5
263.20166	1.9
271.90039	1.1
279.19476	1.9
281.21063	1.8
289.18024	12.6
307.19128	100.0
308.19415	8.6
325.20142	45.6
326.20569	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
52.48196	1.7
55.90848	1.3
57.03322	9.7
59.01253	13.9
69.03322	4.8
71.01251	6.1
71.04904	9.3
71.07974	3.7
73.02827	2.4
80.02531	3.5
83.04898	4.3
84.02029	2.2
85.02814	2.5
85.06464	2.1
87.04395	2.8
91.05402	2.3
93.03307	1.7
95.04884	3.1
97.02821	4.6
97.06467	6.6
107.04956	2.2
107.30189	1.8
109.06476	23.2
109.16109	1.6
111.08042	6.5
111.34713	1.4
123.08057	1.8
125.05973	3.2
125.09606	6.8
127.07538	2.5
127.11163	3.4
130.08586	5.0
131.52484	1.4
137.09650	3.1
151.11176	3.9
153.09096	2.9
153.12686	2.4
163.11215	1.9
165.09064	1.7
167.10675	3.6
169.12257	7.7
171.10170	7.3
181.12318	3.5
183.13849	3.7
193.12212	4.8
195.10164	2.3
197.11783	42.1
199.13287	4.0
201.11263	21.9
209.11807	4.6
211.13339	34.4
213.11292	15.6
227.12903	2.9
233.11581	2.4
235.13399	4.1
237.14949	21.3
249.14856	2.5
289.18091	18.8
307.19153	19.7
325.20166	100.0
326.20438	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	325.2017
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03325	2.0
58.00454	3.1
59.01254	8.0
69.58879	9.4
71.01254	6.9
71.04884	3.5
81.03303	1.7
83.04886	4.2
84.02026	4.0
85.02818	2.8
95.04893	9.5
97.06461	4.1
99.04391	1.3
99.08034	1.8
108.02110	1.3
109.06452	1.6
111.00721	1.2
111.08040	5.4
113.02309	1.2
115.07532	1.7
122.60134	1.3
123.04448	1.4
123.08075	2.1
125.09553	3.3
127.07539	15.6
137.09601	1.9
139.07506	4.1
142.06230	1.4
155.10669	4.2
160.26770	1.5
163.11192	4.1
165.12643	1.4
167.10596	1.4
167.14333	3.4
171.10175	11.7
178.09961	2.3
181.12286	1.5
183.13716	1.2
185.11743	20.7
191.10741	2.3
191.44069	1.3
195.10109	1.5
197.11763	22.7
199.13310	5.6
201.11221	7.1
207.10121	2.2
209.11752	66.4
210.12151	4.5
211.13324	6.7
213.11095	2.0
213.14833	2.0
221.11806	2.1
227.12836	17.9
229.14371	8.4
235.13318	1.9
236.10358	1.5
237.14972	1.9
238.12010	8.1
239.16406	2.0
241.14297	1.3
245.19136	3.0
249.14883	3.3
251.16451	1.2
256.13065	2.3
263.20090	1.9
267.15982	3.6
279.19547	2.7
281.21225	2.2
289.18024	14.7
290.18265	1.5
307.19119	100.0
308.19537	5.2
325.20187	45.2
326.20615	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01755	0.3
50.77422	0.3
57.14154	0.3
59.01246	1.0
79.95576	1.4
98.20640	0.6
119.04920	1.9
154.59421	0.3
162.87471	0.3
163.07237	0.3
167.38342	0.3
170.00383	2.3
183.01140	62.1
184.01526	2.8
197.02698	2.4
198.03592	0.4
211.04286	0.4
216.00931	0.7
225.05927	1.0
239.07460	1.1
253.09157	0.4
261.22131	0.3
271.95251	0.3
325.18405	100.0
326.14816	0.4
326.18732	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	325.0928
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
52.54589	0.4
57.48997	0.4
59.01246	5.2
69.03319	0.4
70.87477	0.7
70.87811	1.0
71.01244	3.0
74.50764	0.4
75.00743	0.6
77.16731	0.5
85.02808	1.4
87.00757	0.5
89.02312	2.5
99.00738	0.6
101.02322	2.0
108.29919	0.4
110.44598	0.5
111.75394	0.4
113.02330	1.1
117.03346	15.9
118.03704	0.7
119.03452	0.8
119.04909	8.3
120.05278	0.7
133.02811	1.0
133.06464	0.6
145.02847	100.0
146.03172	4.2
161.04642	0.5
161.05997	1.7
162.03047	0.5
163.03914	11.9
167.40097	0.5
179.05495	0.5
187.03954	3.2
205.05035	1.6
265.07202	1.1
325.09305	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	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	3.3
59.01249	6.3
69.03320	2.0
71.01241	6.1
71.04883	1.0
71.58198	1.1
71.58588	0.9
72.99176	1.3
73.02812	2.5
75.00740	10.6
80.23714	0.9
81.03319	2.3
83.01263	1.1
83.37046	0.8
84.02049	3.2
85.02817	27.6
87.00750	0.9
89.02333	1.6
93.03324	1.7
97.02830	6.0
99.00771	1.0
99.04398	1.7
99.30087	0.8
105.03323	1.0
106.22801	0.9
107.04923	1.1
109.02840	1.7
112.01556	0.9
112.74447	1.1
113.02271	0.9
115.03890	1.5
116.32534	0.8
117.03333	1.8
119.04911	67.4
120.05267	2.9
121.02859	1.2
123.00745	0.9
123.04417	2.3
123.75039	1.0
128.03444	0.9
131.05026	0.9
133.02835	5.6
135.04376	1.9
137.02338	5.5
138.03110	4.2
143.03406	1.9
145.02844	10.6
151.03912	1.0
152.04677	1.3
153.05467	2.6
159.04398	1.8
161.02362	1.0
161.04451	3.8
161.05838	1.6
163.03914	100.0
164.04240	4.0
175.03902	1.6
177.01820	2.2
177.05452	1.9
179.03355	1.9
179.05519	9.7
187.03914	5.1
190.02689	0.8
193.05083	1.1
204.07925	1.1
205.04996	1.9
209.08105	2.3
215.09604	1.0
220.07332	0.9
223.06219	0.8
228.97189	0.8
233.37689	0.9
251.09245	5.6
253.10909	1.1
265.07184	1.4
281.10251	2.1
289.07132	4.0
295.08151	1.8
307.08203	7.3
324.24899	1.0
325.09354	10.4
325.12701	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	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01244	1.1
70.72440	0.4
70.72764	0.7
71.01252	2.9
72.99149	0.4
73.02807	1.3
75.00756	2.6
78.87384	0.3
83.01237	0.4
83.85039	0.3
85.02832	1.0
87.00728	0.3
91.05418	1.2
93.03314	0.6
96.82053	0.3
99.00766	1.0
101.02330	2.2
101.03833	5.9
112.13220	0.3
113.02325	1.3
117.03352	3.4
117.38760	0.3
119.04913	100.0
120.05247	3.3
135.04454	0.8
141.59830	0.3
143.03406	0.9
159.24255	0.3
161.04471	1.4
163.03912	7.2
164.04172	0.4
179.05519	6.4
269.04526	0.3
297.07614	1.8
308.41028	0.3
325.06790	1.3
325.09415	2.4
341.82697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01249	1.5
65.74419	0.5
71.01254	1.2
71.07112	1.0
77.65460	0.5
83.06583	0.5
93.03347	0.9
117.03339	1.2
119.04910	100.0
120.05240	3.7
121.22656	0.5
127.92056	0.4
133.02853	1.2
145.02843	5.8
146.03214	0.7
160.38014	0.5
163.03909	76.9
164.04245	3.7
187.03951	0.8
205.04877	0.6
270.89246	0.5
289.07068	1.2
324.24603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03321	1.8
59.01247	21.0
59.73899	0.8
69.03331	1.3
71.01252	2.8
83.04880	0.8
84.20694	0.6
84.51467	0.8
85.02819	1.4
87.65509	0.8
89.02322	1.5
90.20293	0.9
92.46999	0.6
95.04910	1.2
97.06445	2.3
99.56899	0.8
101.02324	1.3
107.04934	2.4
109.06450	1.5
110.56809	0.7
111.00716	1.0
111.08002	1.9
113.02314	2.2
114.26360	0.7
121.02840	0.8
123.08091	1.0
125.09584	5.5
151.11172	1.1
161.04475	1.5
163.11180	2.4
165.09117	2.4
165.12737	6.0
181.12239	3.4
182.42746	0.7
183.13844	1.3
185.46220	0.7
193.12236	2.6
194.11324	0.8
197.11798	4.8
199.95236	0.7
207.10265	1.0
209.11632	1.0
213.14905	1.0
215.51694	0.8
217.15906	1.2
221.11818	1.7
237.14937	3.2
239.12866	3.7
247.20593	2.7
262.96863	0.9
273.18579	4.6
291.19644	70.2
292.19968	6.0
305.21152	2.4
307.19171	2.1
308.19861	6.3
323.16864	5.5
323.22250	100.0
324.17175	1.2
324.22549	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.1
59.01254	20.0
61.98680	0.9
67.01736	0.9
69.03323	2.2
71.01249	3.5
71.04918	0.8
71.58739	1.3
83.04881	0.8
85.02839	1.3
89.02332	0.9
95.04911	1.4
96.95888	0.7
97.02805	1.1
97.06465	2.6
101.02312	1.7
107.04895	0.9
109.06470	1.9
111.08051	3.0
113.02326	2.6
119.08611	0.8
121.02859	2.0
121.10170	1.2
123.08022	1.9
125.09645	5.2
137.09625	2.7
141.09032	0.9
151.11223	3.6
153.12700	0.8
153.91939	0.8
159.92445	0.7
161.04407	1.7
163.11183	3.8
165.01912	0.9
165.09111	2.5
165.12761	4.8
169.12302	1.3
171.10202	2.6
181.12296	4.8
193.12291	2.4
197.11775	33.6
198.12065	1.2
207.10201	1.6
209.11769	1.1
213.14891	4.9
221.11754	2.3
225.14906	1.0
229.19453	0.9
239.12840	3.8
241.14392	2.0
244.13133	1.1
247.20552	1.9
263.20129	1.0
273.18619	6.2
291.19662	46.0
292.20126	2.6
295.22626	1.0
302.78479	1.0
305.21268	6.9
307.19171	1.7
308.19885	6.8
323.16855	5.9
323.22266	100.0
324.22510	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
51.05819	0.9
56.71552	1.0
57.03314	1.2
59.01249	37.8
63.72193	1.0
69.03320	2.5
70.44765	2.8
70.45119	1.5
71.01239	5.3
82.44421	1.0
83.88409	1.0
85.02781	2.5
89.02312	1.3
95.01239	1.0
95.04920	1.5
96.95877	3.5
97.06480	2.5
101.02278	2.4
111.08139	0.9
113.02266	2.3
121.02863	1.3
123.04395	1.0
123.08044	2.5
125.09607	7.2
127.07516	1.9
140.28951	1.0
156.04181	1.3
161.04417	2.6
163.11192	5.0
165.01823	1.0
165.09126	4.3
165.12793	2.5
171.10211	1.1
177.12785	2.7
179.10672	1.6
181.12277	3.9
193.12332	1.2
193.61702	1.0
197.11789	8.7
208.43736	1.1
221.11742	5.0
239.12833	4.0
261.22217	3.7
265.14633	2.2
273.18640	2.5
279.23187	1.2
291.19626	14.7
292.20093	1.7
305.21198	70.4
306.21548	4.3
307.19095	1.9
308.19885	7.3
309.20313	1.1
323.16629	6.6
323.22260	100.0
324.22617	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01730	0.9
57.03308	1.1
58.00459	3.4
59.01247	100.0
60.01574	0.8
67.01485	0.8
68.39716	0.8
69.71575	5.6
71.01249	46.7
72.01588	1.1
72.99181	4.2
83.01260	1.6
85.02821	12.7
87.00718	1.2
89.02313	45.7
95.01246	4.3
99.00764	0.9
99.08043	0.9
101.02315	28.7
102.47954	0.7
113.02317	16.4
119.03380	23.7
131.03391	2.7
135.39346	0.7
143.03387	2.2
143.07069	1.0
149.04486	1.0
161.02351	3.5
161.04424	1.4
161.08112	1.1
179.05559	4.1
255.51511	0.7
260.05405	1.0
308.29117	0.8
323.13446	75.3
324.13849	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1284
Annotation	licoagrochalcone A
Peak:m/z	Relative Intensity
50.74724	0.3
55.41075	0.3
59.01252	4.3
60.34055	0.3
65.00191	0.8
71.01243	0.8
71.58749	0.4
71.62000	0.2
85.02757	0.3
89.02316	0.4
91.01770	37.6
92.02111	0.7
96.95853	0.3
101.02355	0.3
109.02842	0.4
112.20583	0.3
113.02331	0.6
121.02910	0.3
132.05704	42.8
133.06079	1.4
135.00777	29.8
136.01115	0.7
148.01601	0.3
149.02342	1.3
153.01843	55.7
154.02145	1.4
161.04475	0.5
164.04706	21.8
165.05002	0.7
187.11217	100.0
188.11555	5.5
213.09074	0.5
281.11908	0.6
305.21320	0.5
323.12872	76.5
324.13177	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.2
57.03312	1.0
58.00457	3.9
59.01247	100.0
60.01595	0.7
69.49346	4.6
71.01251	49.0
72.99167	3.8
73.02842	1.7
83.01242	1.9
85.02814	10.4
87.00773	1.2
89.02312	49.5
95.01266	3.4
99.00735	0.8
99.07988	0.7
101.02317	31.3
113.02322	18.3
119.03387	20.3
131.03391	1.3
143.03380	1.7
143.07021	0.8
149.04433	0.7
161.04465	1.3
161.08118	1.3
167.14767	0.6
179.05533	1.9
188.02988	0.6
235.02640	0.6
323.13449	55.2
324.13843	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	323.1285
Annotation	licoagrochalcone A
Peak:m/z	Relative Intensity
52.63161	0.4
59.00983	0.6
59.01254	6.7
65.00191	0.4
69.28323	2.3
69.28748	1.6
71.01260	1.1
85.02811	0.6
89.02337	0.5
91.01770	32.5
92.02090	0.7
96.95890	0.6
101.02335	0.7
104.43413	0.4
109.02820	0.5
113.02294	0.8
116.88371	0.4
121.02877	0.7
132.05707	39.4
133.06036	1.4
133.97299	0.5
135.00775	25.8
136.01131	0.4
137.02284	0.3
149.02351	0.4
153.01840	54.6
154.02176	1.6
161.04434	0.5
164.04698	23.2
165.05051	0.5
167.10628	0.4
175.33282	0.4
187.11211	100.0
188.11559	5.9
204.55463	0.3
287.16464	0.4
290.16779	0.6
305.17880	0.5
323.12869	70.6
324.13223	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	323.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34489	2.2
59.01256	22.3
60.59734	2.6
69.03316	8.0
69.29558	25.4
71.01256	18.2
71.46172	2.6
72.99195	2.7
75.70985	2.6
75.73376	2.8
83.01251	8.7
85.02831	2.9
86.14502	2.8
93.03322	40.8
96.95888	2.3
99.00746	62.1
101.02325	3.8
107.85693	2.5
108.02079	6.4
108.23154	2.5
111.00718	4.7
117.03341	26.6
119.04902	35.9
121.02849	2.7
122.05904	2.8
123.04374	2.8
125.02288	3.6
130.04161	10.8
131.04927	17.1
132.05734	14.8
133.02846	21.6
133.06445	18.0
133.09698	2.4
135.04375	6.8
137.02330	7.2
143.04922	20.8
145.02814	11.3
145.06487	33.7
147.04413	100.0
147.05588	5.3
147.07971	3.0
148.04826	2.9
149.05960	15.0
152.15714	2.3
156.05710	6.0
157.06485	10.7
158.03575	2.6
159.02977	3.5
159.04411	10.0
159.08121	2.7
160.05202	13.0
161.02348	3.7
161.05963	17.7
163.03914	7.9
163.07564	8.5
169.06496	23.6
170.07156	2.6
171.04422	8.3
172.05154	3.2
173.05983	28.9
175.03894	28.4
175.07535	13.7
177.05457	17.7
179.72630	2.6
187.03949	5.8
187.07556	58.6
189.05482	48.6
190.05946	3.0
191.07008	16.2
193.04985	4.1
199.07700	3.9
201.05511	36.6
203.03444	17.2
205.05016	26.9
217.04973	3.6
219.06532	40.2
220.06842	4.0
221.04459	40.1
222.04820	2.9
231.06596	3.6
235.06029	6.3
261.07593	6.6
263.05579	42.2
264.05521	2.5
271.82770	2.5
279.08737	11.5
319.07248	2.9
323.07816	27.5
324.07916	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	321.2067
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.06461	0.4
55.32169	0.3
57.08296	0.3
59.01247	100.0
59.22751	0.3
60.01580	1.0
62.26531	0.4
69.23195	0.7
69.23598	3.5
71.01244	0.4
75.96732	0.3
80.09750	0.4
103.03900	1.2
193.76776	0.4
200.18938	0.4
219.17270	0.5
266.33957	0.4
271.80148	0.4
277.18027	0.9
321.20670	51.7
322.20987	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75769	1.0
59.01247	100.0
60.01601	1.7
64.05868	1.1
71.01247	3.1
71.58561	2.1
73.02861	1.2
83.01260	1.5
85.02799	2.5
87.00741	1.1
89.02306	1.1
93.03332	31.9
95.01320	1.4
96.95878	15.1
97.02812	1.3
99.00757	1.8
101.02351	1.7
111.04383	1.4
113.02313	3.1
121.02856	1.4
122.04442	1.5
125.86272	0.9
132.97260	0.9
133.02893	1.2
133.55150	1.1
135.04359	1.6
137.02338	45.9
145.02785	1.0
151.03909	1.3
158.14490	0.9
161.02336	1.8
161.04498	1.2
161.05844	1.1
173.04482	2.3
179.03453	2.1
223.77870	1.0
269.04535	2.0
281.06573	3.1
323.08295	2.2
323.13614	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08049	1.1
51.40557	1.2
52.50468	1.1
53.51108	1.1
59.01248	100.0
59.21360	1.1
62.50930	1.0
71.01260	4.3
73.31998	1.0
77.91673	0.9
85.02830	1.1
87.00699	1.1
87.59756	1.0
89.02315	4.4
98.20567	2.5
101.02329	3.1
111.00824	1.1
119.03423	1.8
120.50330	1.0
309.72275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1128
Annotation	Kanzonol B
Peak:m/z	Relative Intensity
56.08575	0.5
59.01244	2.0
65.03799	0.5
71.57401	0.7
77.49651	0.5
79.95602	2.3
80.96379	1.6
91.01762	19.4
92.02113	0.7
109.02817	1.0
135.00764	13.8
141.01689	0.6
149.02333	4.1
153.01828	24.4
154.02190	0.8
157.06459	0.8
169.06473	9.8
180.65640	0.6
183.08005	1.2
185.09624	52.9
185.33560	0.5
186.10037	3.1
232.64301	0.6
235.11099	0.6
268.60651	0.7
279.10205	2.3
291.06738	3.0
305.08105	0.8
306.08926	1.1
318.45959	0.6
321.11285	100.0
321.21014	6.1
322.11581	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	100.0
69.29787	1.9
69.30195	6.7
70.68976	0.7
71.01266	3.2
72.87074	0.7
75.26891	0.7
75.68185	0.7
83.77040	0.7
85.02843	0.8
87.00773	0.8
87.49725	0.7
87.94482	0.8
88.34386	0.8
89.02340	3.4
101.02354	1.7
103.44737	0.8
104.96749	0.8
112.72219	0.8
119.03413	1.8
123.00814	0.8
127.81176	0.9
141.27925	0.7
166.88733	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0824
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
51.47356	3.6
56.96091	5.2
59.01243	15.5
63.02668	4.4
69.03321	4.9
71.01247	24.6
73.02811	11.6
85.02827	31.4
87.00749	100.0
88.03903	10.3
95.01234	6.0
96.14087	4.2
97.02822	20.3
103.03883	13.9
104.94942	5.0
113.02304	8.6
115.00269	20.7
125.02383	6.2
129.09204	4.3
144.04501	10.4
153.90057	4.3
157.01315	7.7
173.78568	4.5
174.04021	7.1
175.02383	45.5
187.05072	6.8
217.03471	19.6
259.07150	6.0
321.07294	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	321.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78765	2.9
56.27533	3.1
59.01240	7.9
63.84264	2.8
69.03325	4.1
71.01254	16.6
71.32097	5.7
71.32427	3.3
73.02832	7.8
85.02812	32.0
87.00745	100.0
95.01267	5.3
97.02833	25.6
97.47261	3.2
103.03886	8.7
108.79377	3.2
113.02284	9.7
114.62332	3.1
115.00217	9.1
118.50522	3.6
129.01836	3.6
140.78679	3.6
145.83781	3.5
149.51007	3.4
157.01372	8.0
165.05806	4.0
175.02385	35.2
217.03462	14.1
229.96480	3.6
242.49806	3.5
267.77286	3.4
287.05280	4.0
319.86435	3.4
327.93481	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0615
Annotation	SCHEMBL14339445
Peak:m/z	Relative Intensity
55.01739	5.8
57.03314	9.1
59.01249	99.0
65.00216	5.5
67.01745	5.6
69.03310	5.6
69.92624	16.4
70.03603	3.4
71.01250	21.8
73.02850	5.3
79.63429	4.6
80.32496	3.5
81.03330	17.0
82.16163	3.6
83.01261	19.3
85.02824	32.8
87.00755	4.8
89.02338	6.3
93.03327	12.2
95.01260	12.8
95.04908	9.7
97.02827	16.4
99.00773	13.6
101.02321	11.4
102.59856	4.0
108.02052	4.7
109.02832	89.8
111.00761	66.1
113.02318	12.0
121.02864	21.6
122.06006	9.2
123.00756	23.4
123.04430	15.7
124.01565	6.2
125.02330	91.7
127.00281	7.7
127.03890	5.7
133.02943	5.2
134.03609	13.8
135.04422	15.2
136.01569	4.1
136.07635	4.2
137.02330	56.9
139.00284	31.5
139.03905	10.9
140.01025	6.3
141.01830	42.1
142.66217	4.2
146.03548	6.7
147.04402	10.7
149.02345	57.7
149.05992	6.3
150.03090	6.2
151.03902	15.1
153.01842	100.0
154.02197	4.1
154.99803	31.1
158.03653	4.7
161.02362	18.4
162.03162	5.0
163.03920	8.9
164.01053	6.6
165.01837	22.9
167.03400	16.5
173.05972	9.0
174.03055	7.8
175.02534	4.2
175.03905	26.1
177.01855	19.7
177.05472	7.9
178.02502	6.0
179.03484	10.3
181.01292	8.7
181.04984	11.7
183.02907	4.3
187.03987	6.5
189.05551	7.3
191.03462	6.6
193.04944	12.0
195.02895	8.0
201.01863	5.0
203.03471	5.1
205.04991	7.5
209.04317	3.9
216.04233	4.1
217.04997	21.6
231.06598	5.3
235.06180	5.2
257.04642	5.1
259.06085	14.3
275.05560	6.2
277.12003	5.9
279.14398	8.6
285.04007	16.0
303.05136	30.7
321.06113	60.2
321.09933	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	319.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44369	1.0
55.10085	1.1
58.02845	7.3
70.98267	3.0
72.00774	5.0
73.19497	1.0
80.88711	1.0
82.06494	2.6
91.05402	10.2
108.34848	1.0
112.07543	2.5
118.06520	3.2
125.02296	1.9
126.09151	2.5
129.10220	81.9
147.04408	31.7
153.10231	4.3
154.08604	10.7
164.07068	71.2
165.07402	1.9
171.11302	60.2
172.11700	2.3
209.00768	1.9
218.10741	1.1
224.68776	1.2
233.16531	39.6
275.17642	5.8
277.15555	2.9
277.98642	1.2
314.64529	1.4
319.16602	100.0
320.16965	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	319.0457
Annotation	Alternarian acid
Peak:m/z	Relative Intensity
57.03318	10.0
59.01251	1.0
63.02242	0.8
65.00187	5.7
65.03838	0.8
68.99684	0.5
69.03323	0.6
69.30434	4.6
81.03333	4.9
83.01250	11.2
93.03351	2.7
97.02828	1.2
105.03339	1.3
107.01270	6.6
109.02837	1.5
119.04913	1.7
121.02817	2.2
121.06477	3.1
123.04408	6.0
125.02332	100.0
126.02686	2.2
133.02824	0.6
137.02351	2.1
143.04935	1.0
144.05682	0.5
145.02861	0.9
145.06511	3.4
146.03632	0.6
147.04422	4.5
149.02348	4.0
151.00267	15.2
159.08115	0.5
161.06010	1.6
163.07539	3.2
164.01001	1.1
165.01831	16.5
167.03416	1.2
169.06502	1.5
171.04422	0.6
175.03845	0.7
177.01842	4.3
181.12500	0.5
185.06035	0.8
187.03970	0.7
187.07573	3.0
189.05502	3.7
191.03374	0.5
203.06966	0.6
213.05528	0.9
215.03328	0.6
219.02844	0.5
231.06573	58.3
232.06958	2.8
257.04510	1.7
275.05591	16.5
276.05954	1.1
310.74991	0.4
319.04691	4.1
330.97406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.1
57.03314	2.6
59.01250	8.4
69.40627	7.3
71.01267	4.6
71.04882	7.2
76.21887	1.0
80.11081	1.0
81.03317	1.0
83.01292	0.8
83.04913	2.6
85.02796	1.3
89.02307	1.4
91.03878	2.7
97.02831	5.6
97.06438	3.7
99.00751	36.5
101.02325	1.6
108.01999	1.1
109.02871	0.9
109.06480	1.9
110.03601	1.1
111.00715	1.1
121.06484	1.0
123.04491	1.1
123.08067	2.5
125.09605	11.1
127.11164	1.6
128.90976	1.0
139.00279	0.9
142.02544	1.9
146.64975	0.9
151.03857	1.1
153.12735	2.0
154.99780	1.0
155.14348	1.5
163.11205	18.4
164.11491	1.3
164.37654	0.9
171.10153	1.0
175.52686	0.8
181.12248	55.1
182.12590	3.3
197.11774	0.9
199.13321	35.4
199.27414	1.0
200.13644	2.1
207.10196	50.3
208.10608	1.7
225.11263	89.8
226.11562	4.8
226.30957	0.9
243.12334	100.0
244.12692	7.1
255.11325	2.0
273.12344	4.0
317.02963	1.4
317.16019	77.4
318.16339	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	317.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.6
65.00227	0.3
94.02877	0.4
94.06570	0.3
95.01207	0.5
96.08047	0.5
98.20528	1.0
103.04166	0.3
104.04938	1.1
108.04408	0.3
109.02814	0.9
118.02872	0.8
120.04422	0.4
122.05995	5.0
124.07562	4.5
126.26021	0.3
127.00302	0.4
130.02885	0.5
131.03673	0.4
132.38002	0.3
136.07573	12.0
148.03938	0.5
149.04704	0.4
150.05484	1.1
151.00204	0.4
153.33107	0.4
154.99817	0.3
163.00148	0.3
164.03435	1.8
165.61348	0.3
168.06538	0.8
180.00803	0.3
181.03709	0.8
185.07106	2.1
186.07431	0.3
194.04555	0.4
196.07593	1.9
197.07088	0.5
198.04298	1.4
200.10739	0.4
203.08174	2.1
211.05264	0.3
211.08754	0.4
212.10791	1.1
216.10226	0.3
217.07413	0.4
225.06647	2.1
226.07382	1.8
227.08186	6.8
227.11812	1.3
228.08542	0.4
230.11836	0.9
237.10266	1.3
238.08762	0.5
239.08228	3.2
240.09010	5.6
243.11330	5.4
244.08453	0.4
244.11465	0.3
255.11359	27.7
256.11703	1.9
258.09885	0.5
272.08035	0.9
273.12424	100.0
274.12747	5.8
299.02121	0.7
317.03101	0.8
317.11346	7.9
318.11566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1028
Annotation	Catechin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
57.52116	0.5
67.18003	0.4
69.45659	0.4
70.14909	1.7
76.30376	0.4
82.83226	0.4
83.01259	1.2
93.03355	0.6
95.01272	0.5
103.23530	0.5
107.04868	0.7
108.02043	14.9
108.74014	0.4
109.02885	2.6
109.99957	0.9
111.00742	4.8
121.02836	2.1
122.03659	0.9
123.00766	8.0
123.04397	2.0
124.01547	9.1
125.02332	3.3
133.02841	1.2
134.03671	0.7
135.04413	1.9
136.01553	35.1
137.02338	41.7
138.03159	3.6
139.03899	5.4
145.02858	1.8
149.02344	19.6
149.03558	0.8
150.03123	92.5
151.03906	100.0
152.04230	3.2
161.02324	1.3
162.03096	1.7
163.03914	6.3
164.04730	4.5
165.05476	53.1
166.05809	1.4
175.03847	0.7
176.04692	0.7
177.05464	2.3
189.05450	0.8
213.05484	0.6
215.07043	4.1
225.05444	0.5
228.04219	0.6
241.04973	3.8
242.05388	0.6
243.06590	0.9
244.03873	0.5
255.02856	0.6
269.04486	5.5
270.05231	4.9
271.05930	0.5
272.03275	1.9
284.03442	0.5
284.06848	0.7
285.07654	3.2
287.05573	15.1
288.06024	1.3
302.07901	17.3
303.08276	1.6
317.10272	85.2
318.10623	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	317.0667
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
55.97586	0.2
56.27049	0.2
57.03325	16.0
59.01241	0.4
65.00217	0.4
66.15738	0.3
70.73328	0.9
81.03330	2.5
83.01259	8.7
88.95386	0.2
90.31343	0.3
108.02081	0.6
109.02840	0.3
123.00739	0.3
123.04408	0.7
124.01564	1.9
125.02339	100.0
126.02674	2.6
137.02393	0.4
139.03789	0.4
148.01549	2.3
149.02342	1.6
150.03149	0.4
150.05531	0.3
151.00275	0.3
151.03885	0.4
152.01079	0.3
164.01070	1.2
165.01825	1.2
174.03139	0.6
175.03925	0.4
176.01076	19.7
177.01852	6.4
178.02559	0.3
190.06407	0.3
191.03432	23.3
192.04153	2.9
216.04199	0.6
260.42252	0.3
271.02151	0.3
287.02075	0.4
302.04248	0.9
314.40414	0.3
317.06653	26.8
317.11008	1.0
318.06879	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	317.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26294	0.1
57.03321	15.8
60.59817	0.1
61.12729	0.1
61.35311	0.2
62.75629	0.1
70.72971	0.4
81.03335	1.1
83.01249	2.5
93.03353	0.1
107.59942	0.1
117.03339	0.2
117.53341	0.1
121.02815	0.2
124.01517	0.5
125.02330	100.0
126.02663	2.4
133.02864	0.2
135.04384	0.2
137.02327	0.3
139.03926	0.2
145.02847	0.9
148.01566	0.4
149.02380	0.2
150.03140	0.4
151.00253	0.2
159.04512	0.2
163.03911	0.4
164.01068	0.3
164.04672	0.3
165.01845	0.7
174.03096	0.3
176.01054	2.7
177.01855	0.9
187.03915	0.2
187.88818	0.2
191.03439	2.7
192.04185	2.3
207.06532	1.2
212.04865	0.2
215.03380	0.2
216.04208	0.5
243.03140	0.2
258.05356	0.3
285.04199	0.8
286.04330	0.2
287.05496	0.1
302.07852	0.3
317.06647	6.1
317.10141	0.4
318.06982	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26217	1.4
59.01237	2.1
65.00191	11.8
69.29408	13.9
89.00216	3.7
91.01778	2.1
93.03333	3.9
95.01266	3.2
95.04906	2.2
95.05729	1.4
96.95879	1.4
97.02831	8.8
102.05479	4.3
105.03369	1.4
107.78477	1.4
108.02062	3.0
109.02834	24.8
111.00740	1.7
116.64402	1.5
119.04876	1.5
121.02840	14.1
123.00723	3.2
123.04403	19.5
124.01546	41.3
125.02306	3.3
133.02869	1.9
135.04382	2.5
136.01518	4.1
137.02332	37.6
138.03123	3.9
139.00273	2.5
139.03903	62.7
140.04201	1.7
148.01581	5.1
149.01204	2.6
149.02342	43.2
149.99510	2.9
150.03117	7.9
151.00241	8.2
151.03900	9.0
152.01057	13.1
163.03879	5.3
164.01056	4.0
165.01828	58.8
165.05435	2.6
166.02652	13.2
167.03401	62.5
168.03719	2.7
169.01270	1.8
171.04465	2.1
174.03114	1.9
175.03943	9.2
176.04301	1.6
177.01823	3.6
178.99763	23.4
179.03346	2.6
180.04141	1.8
181.04982	1.9
183.02927	16.9
183.04399	2.3
184.05147	4.2
185.05521	1.4
191.03419	1.4
193.01340	41.1
193.03145	2.1
194.01556	2.3
195.02902	14.6
196.05208	2.6
199.03918	6.5
200.04707	2.2
201.01884	3.9
207.02905	10.1
211.03896	4.0
212.04617	7.0
213.01822	2.8
214.02594	2.4
215.07048	1.6
216.04218	1.9
223.03935	2.6
227.03458	5.7
228.04170	7.1
229.04868	2.1
239.03371	4.7
240.04198	18.8
241.05016	3.3
243.06601	2.2
255.02933	3.7
255.06563	3.3
256.03729	31.2
257.04419	3.6
270.05219	1.8
271.06088	44.1
272.03500	1.7
272.06378	3.8
273.07639	6.1
284.03210	23.6
285.03876	2.1
287.05530	6.4
289.07150	46.2
290.07495	3.3
299.05579	100.0
300.05984	6.9
302.07928	22.0
303.08344	2.2
317.03104	2.8
317.06573	21.8
317.10291	9.0
317.13736	1.6
317.19852	1.9
327.03189	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	317.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12898	0.7
51.60825	0.6
52.77693	0.8
57.03326	10.3
59.01241	2.2
63.02269	4.9
65.00191	8.7
66.88239	0.7
69.03327	0.7
69.33864	6.9
71.01250	1.1
81.03330	1.7
83.01260	10.1
85.02820	1.1
91.01740	0.8
93.03321	2.0
95.01260	5.7
98.19750	1.3
100.58569	0.6
107.01266	7.6
108.02049	1.6
108.28885	0.7
109.02829	3.0
111.00748	2.8
117.03339	0.9
119.04939	1.4
121.02830	1.6
123.00777	3.6
124.01548	12.4
125.02332	69.6
126.02690	2.0
131.04958	1.1
133.02812	0.9
133.06464	1.3
135.00740	0.9
135.04298	1.2
137.02316	5.7
139.00249	1.5
141.07021	0.9
143.04968	0.9
145.02843	2.0
146.03607	1.6
149.02339	4.2
150.03084	1.8
150.99110	1.4
151.00266	20.9
152.01062	23.0
153.00645	1.4
153.01836	18.9
153.05397	0.9
156.05736	0.8
157.06488	2.8
158.03661	1.0
159.04379	2.7
161.06023	1.6
163.03911	2.0
165.01837	4.4
165.05490	1.4
166.02629	1.1
169.01378	1.2
173.05997	1.1
174.03076	0.9
175.03833	1.0
177.01814	2.3
178.99789	8.0
183.04385	1.4
185.02293	0.9
185.05957	3.5
186.03085	0.8
187.03940	2.6
188.04698	2.0
189.05429	0.8
192.04213	5.0
193.01340	3.3
199.04001	0.9
199.13292	4.0
201.01880	0.9
201.05545	1.7
202.02553	0.7
203.03368	1.7
205.05075	1.3
207.06528	5.3
211.03941	1.8
212.04674	0.8
213.02042	0.7
213.05609	0.8
214.02716	3.4
215.03299	2.2
216.04143	2.0
217.01396	1.3
217.04994	3.7
225.11046	0.7
227.03450	4.5
228.04211	1.0
229.05002	33.0
229.08466	1.4
230.05553	4.7
231.02884	2.1
231.06555	5.0
243.12392	1.4
245.04523	14.3
245.08160	1.5
246.04831	1.1
247.83488	0.8
249.07578	0.8
255.02951	1.5
256.03751	7.3
257.04117	1.3
258.05249	2.9
268.03680	1.7
271.06119	8.0
273.04071	36.4
273.07581	5.2
274.04663	5.9
275.18771	0.9
283.02313	1.3
284.03192	6.6
285.03894	2.2
289.07166	37.7
290.07446	2.7
299.05591	9.7
302.03763	8.9
317.03006	9.2
317.06573	100.0
317.16080	3.2
318.03647	1.2
318.06995	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	317.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.3
62.93377	1.1
65.00190	1.4
69.29202	12.9
91.01767	75.3
92.75454	1.3
96.95853	1.4
108.07613	1.1
126.56724	1.1
129.77615	1.2
135.00766	42.8
136.01129	1.8
137.02333	1.5
153.01833	100.0
154.02208	2.9
166.02618	89.6
167.02948	1.7
181.04976	78.6
182.05325	2.2
185.34503	1.1
217.30888	1.2
277.31964	1.1
309.18680	1.1
317.14099	1.4
317.21054	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	317.0299
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
57.83754	2.3
59.01230	2.6
63.02258	6.1
65.00186	16.5
65.37704	2.5
67.01753	3.1
69.51152	14.8
81.03290	3.1
83.01269	16.2
83.01682	2.9
91.05373	2.0
93.03329	2.9
95.01245	10.2
97.02821	2.8
98.20535	4.6
107.01258	20.4
109.02831	60.5
111.00754	18.3
117.03278	2.8
119.01274	2.6
121.02837	5.2
123.00748	5.4
124.01568	5.4
125.02322	36.4
132.02136	2.7
133.02849	22.9
134.03175	3.1
135.00789	9.8
135.04404	7.3
136.98705	2.7
137.02356	16.6
139.00255	25.6
147.00746	2.8
147.04427	2.8
149.02321	9.6
150.99110	3.5
151.00269	47.6
151.03955	5.2
152.01094	11.1
152.63849	2.4
153.01842	21.3
153.71068	2.4
159.04424	5.6
161.02332	7.1
163.00282	40.8
164.01041	3.9
165.01857	20.0
166.99734	4.3
169.01363	4.3
171.04430	4.2
175.03889	7.8
177.01808	11.6
178.99721	17.2
181.01335	40.5
182.02034	3.9
183.04390	4.7
187.03960	5.9
189.01845	4.2
190.99767	20.0
191.03479	3.2
192.00230	2.6
193.01343	8.6
199.03856	11.1
201.01878	5.2
201.05553	4.6
203.03395	11.0
206.99310	11.6
207.02863	2.9
208.00031	7.1
211.04015	3.7
213.01840	3.0
215.03461	4.0
217.01599	2.8
217.04974	11.7
219.02965	3.3
227.03471	16.1
229.05045	3.1
230.01961	3.2
231.02927	15.8
232.03381	3.0
243.02914	9.6
245.04538	24.7
249.04034	3.2
255.02963	14.8
256.03427	3.5
258.01608	3.7
271.02441	23.1
273.04062	12.7
284.03165	11.4
289.03427	6.5
298.51120	2.7
299.01926	26.6
300.02658	4.9
317.02966	100.0
318.03311	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	316.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45542	0.2
63.21184	0.3
65.03783	0.5
67.01719	0.6
72.99140	0.3
75.28117	0.3
80.46317	0.2
88.24409	0.2
91.04920	0.3
91.05390	3.1
93.03294	0.8
95.01232	0.5
108.02036	5.2
109.02834	6.3
109.99969	9.0
111.00735	0.6
121.02832	8.6
123.00753	2.6
123.04359	0.3
124.01460	1.1
125.02258	0.9
133.02866	1.6
135.00729	0.7
135.04402	31.3
136.01550	9.4
136.04671	0.9
137.99477	0.6
139.00224	0.4
139.03807	0.3
140.00980	0.7
145.02771	0.3
146.03604	0.3
147.04422	1.6
148.01489	0.6
149.02281	0.7
151.00241	0.7
151.03848	1.1
152.01041	1.3
153.00658	0.3
153.01823	5.7
153.06979	0.5
157.06377	0.3
159.04385	0.4
160.05136	0.3
161.05870	0.2
161.97598	0.3
163.00305	1.5
163.01401	0.3
164.01048	11.4
164.35703	0.2
165.01482	0.4
167.03413	3.0
167.04736	0.4
169.06421	0.9
171.04404	1.7
172.05292	0.3
173.05902	1.2
175.03828	0.5
176.01010	1.1
176.12106	0.3
177.01842	2.3
178.02592	0.5
179.03398	22.7
180.03741	0.7
181.06427	0.3
183.04408	0.6
185.05984	0.9
186.06750	0.5
187.03883	0.6
188.04671	0.8
196.05154	1.0
197.05998	5.3
198.03084	0.5
198.06316	0.3
199.03909	3.5
201.05473	0.7
202.06287	0.3
212.04657	1.4
213.05457	4.1
214.06047	0.7
215.03397	1.2
223.03888	0.6
224.04602	0.4
225.05516	3.9
226.02646	0.4
227.03419	1.6
229.04985	5.4
230.05745	1.8
239.07027	0.4
240.04134	0.7
241.04980	8.9
242.05565	1.0
243.00432	0.5
243.02922	8.2
243.06549	0.4
244.03429	0.6
246.57982	0.3
251.03424	0.5
254.02109	0.7
257.04449	2.7
258.05222	2.4
266.12338	0.3
267.02789	0.4
268.03708	0.7
269.04510	26.9
270.04956	1.9
271.02429	2.6
271.05432	0.5
272.02808	0.3
273.07587	0.8
283.06100	0.5
284.07016	0.6
285.04016	1.1
285.07413	0.6
286.04791	38.3
287.05228	3.0
301.07132	100.0
302.07480	6.6
316.09457	18.9
317.09879	1.3
317.21176	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	315.2536
Annotation	9,10-Dihydroxystearate
Peak:m/z	Relative Intensity
53.15332	0.5
58.00479	0.5
59.01245	5.4
69.38406	2.1
69.38828	2.6
95.04895	10.2
103.91880	1.4
108.02015	0.5
108.89840	0.6
114.00439	0.5
122.89291	0.7
124.89013	1.0
125.09601	1.3
127.11198	3.1
141.12752	4.7
143.10677	0.7
143.98787	0.5
152.01060	1.0
153.01804	0.7
155.10693	1.2
171.10204	2.4
171.13786	1.5
188.13710	0.5
190.96538	0.6
201.11252	1.2
232.97530	2.3
239.23982	0.5
246.12526	0.8
269.24966	0.9
278.11328	9.7
279.11972	0.6
279.23264	1.7
295.22589	0.6
297.24323	8.6
298.24472	0.8
313.23822	4.4
315.19376	2.6
315.25372	100.0
316.25699	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	315.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64513	0.7
59.01251	7.1
65.00189	9.2
70.16669	3.5
88.50729	0.8
95.01265	2.7
106.00480	1.1
107.01257	2.4
108.02056	1.9
109.02795	0.9
121.02839	4.3
123.00769	14.3
124.01628	1.6
131.95914	0.8
133.02797	2.1
134.03633	100.0
135.04425	53.8
136.01540	0.9
136.04755	2.4
149.05986	62.7
149.99495	43.1
150.06310	2.7
151.00293	5.6
152.01003	2.4
161.02283	0.9
163.00369	1.6
164.01077	1.4
165.01837	3.9
167.62213	0.8
168.00616	3.7
169.01306	5.1
171.04463	0.9
175.04002	1.2
177.01920	1.4
178.02567	1.1
183.02914	34.4
184.03279	1.8
196.00076	0.9
201.05467	0.9
210.01691	1.4
213.05368	1.0
227.03273	1.2
232.97459	2.5
239.03372	1.2
241.05000	1.8
243.02982	0.8
256.03757	1.4
257.04617	1.1
267.03052	3.7
271.06317	1.1
272.02908	1.6
282.05322	8.5
285.04041	19.3
297.07632	5.1
299.05557	1.4
300.02826	4.3
300.06363	63.3
301.06647	4.9
315.04987	5.9
315.08737	83.4
315.21689	2.6
316.09042	8.1
324.81985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0718
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.25962	0.6
71.01244	3.0
71.26480	0.5
71.26827	1.4
73.02812	1.2
81.03341	1.0
85.02826	2.5
93.03346	0.8
95.01277	0.9
100.09595	0.6
101.02320	0.9
108.02045	100.0
109.02838	47.4
110.03165	1.4
113.02366	1.0
121.02840	1.0
123.00744	1.6
123.04401	0.9
127.77222	0.6
133.02808	1.0
141.25797	0.7
151.03908	2.6
152.01044	81.2
153.01836	44.0
154.02145	1.4
163.03925	1.7
165.01837	2.7
225.03909	0.8
238.18607	0.7
275.92984	0.7
315.07199	90.5
316.07526	5.8
320.24020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01236	0.6
71.01244	2.0
71.06799	0.8
73.02802	0.7
73.51032	0.4
85.02809	1.5
95.01266	1.2
99.00712	0.5
101.02319	1.5
108.02048	39.1
109.02846	16.8
113.02319	1.2
121.02853	1.2
123.00799	1.0
123.04417	0.6
147.36079	0.5
151.03870	1.6
152.01051	54.0
153.01843	25.6
154.02153	0.7
156.51636	0.4
163.03926	1.2
165.01791	2.6
204.29645	0.4
227.21425	0.5
315.07202	100.0
316.07553	5.3
328.40720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93259	0.5
65.03796	0.6
69.75690	3.2
71.01231	1.0
77.53349	0.4
81.03370	0.7
85.02817	1.6
98.19876	0.9
101.02289	0.7
108.02042	67.6
109.02843	23.7
121.02845	0.9
123.00796	0.6
123.04439	0.6
135.00798	0.9
151.03923	1.2
152.01047	34.2
153.01831	27.6
154.02211	0.9
163.03952	0.6
165.01865	1.8
171.25511	0.5
214.29701	0.5
273.75079	0.5
315.07184	100.0
316.07571	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	315.0513
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.62249	0.4
59.01243	0.9
60.53165	0.4
69.32256	3.8
70.56222	0.4
71.01259	0.6
93.03328	0.4
95.01265	0.9
108.02045	9.2
109.02834	2.1
109.99979	0.8
111.00826	0.4
113.02357	0.5
121.02853	0.7
123.00758	3.3
124.01567	1.5
133.02907	0.6
135.00783	1.2
136.01570	1.9
137.02351	1.8
148.01543	1.4
152.01035	5.0
153.01837	2.3
159.04420	0.5
160.01602	0.5
161.02391	0.6
163.00266	8.6
164.01001	1.3
172.05193	0.5
174.03094	0.7
176.01080	4.4
177.01830	6.1
183.04416	0.5
187.03885	0.9
188.01062	2.1
188.04713	2.3
190.02655	3.8
199.03987	2.5
200.04674	1.7
201.01796	2.1
202.02646	0.5
203.03423	10.3
204.04027	1.3
211.04034	1.1
215.03397	6.5
216.00630	1.7
216.04198	6.0
226.02681	1.0
227.03433	4.6
228.04231	3.0
229.01440	0.9
231.02985	0.6
239.03439	0.7
241.05023	0.5
243.02956	5.8
244.03708	3.7
255.02921	5.0
256.03781	3.2
268.47464	0.4
271.02484	4.0
271.06073	1.4
272.03247	14.6
273.03693	0.9
283.02374	0.9
285.03976	0.8
287.05569	1.0
297.03995	10.7
299.01703	0.5
300.02716	63.0
301.03046	4.4
315.05002	100.0
316.05280	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64576	0.2
59.01284	0.8
59.25727	0.2
63.71028	0.2
83.36693	0.3
87.38558	0.2
87.46965	0.2
90.80468	0.2
95.01247	2.7
98.19797	0.9
107.01272	2.8
108.02041	1.5
109.02843	1.1
110.00011	0.7
111.00784	0.4
121.02879	0.4
123.00778	3.4
123.01518	0.3
124.01566	1.9
133.02867	0.4
135.00810	0.8
136.01617	0.9
137.02365	0.4
148.01541	1.8
149.02362	0.9
149.99542	0.4
151.00261	13.5
152.01039	1.1
153.01871	0.7
159.04492	0.5
160.01607	0.4
160.41927	0.3
161.02351	0.4
163.00230	1.7
164.01085	1.0
169.01378	1.0
171.04395	0.4
172.05206	0.6
173.02383	0.5
174.03207	0.7
175.03934	0.3
176.01068	2.4
177.01805	2.0
177.12489	0.2
178.02650	0.3
179.10695	0.6
183.04451	0.8
185.02408	1.0
186.03084	0.4
187.03969	0.9
188.04680	1.3
189.01875	0.6
190.02699	0.8
197.02284	0.3
197.11749	5.1
198.03174	1.6
199.03914	3.8
200.04727	3.5
201.01820	1.7
202.02612	0.7
203.03427	2.4
204.04260	0.7
210.03122	0.6
211.03940	1.6
213.01819	0.4
214.02582	0.4
215.03418	3.5
216.04196	7.8
217.04573	0.5
226.02625	2.9
227.03423	7.5
228.04178	4.2
229.01364	0.6
230.02167	1.1
231.02863	0.6
232.03786	0.3
238.02597	0.3
239.03418	1.3
241.10779	0.7
243.02930	7.0
243.06694	0.3
244.03720	5.8
245.04262	0.3
254.02101	1.3
255.02945	7.4
256.03732	6.8
257.01007	0.5
257.03918	0.3
271.02469	4.3
272.03210	4.6
273.03488	0.3
282.01688	2.4
283.02487	2.8
284.02985	0.3
285.04041	0.3
287.05493	0.4
299.01956	2.5
300.02719	55.8
301.03040	3.8
315.05063	100.0
316.05389	8.3
316.08261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02253	1.0
64.12150	0.4
65.00177	1.0
69.90031	2.2
75.61057	0.4
83.01246	1.4
91.47314	0.4
98.19851	0.6
102.34704	0.4
107.01283	2.1
108.02039	1.6
109.99964	1.4
116.15240	0.4
123.00789	2.1
124.01540	1.4
130.04121	0.4
135.00793	0.5
146.03610	0.5
148.01547	1.9
149.02272	0.6
149.99446	0.6
150.03110	0.4
151.00281	4.1
152.01079	0.6
159.04430	0.8
161.02377	4.0
162.03035	0.4
163.00334	0.8
163.03935	1.3
173.02422	0.6
174.03194	2.7
175.03889	0.8
176.01030	1.0
177.01793	1.1
185.02365	0.5
186.03127	1.0
187.03964	1.2
188.01085	0.7
188.04794	1.9
189.01884	0.8
190.02682	3.1
192.00546	0.6
199.03976	0.7
200.04665	1.2
201.01845	2.5
202.02559	2.3
203.03444	15.5
204.04135	2.8
205.01385	0.8
205.04985	0.7
211.03899	0.6
212.04681	0.6
213.01767	1.0
214.02696	9.3
215.03419	3.6
216.00510	0.6
216.04228	4.3
227.03429	4.1
228.04199	4.1
229.01353	1.7
230.02122	4.1
231.02945	8.7
232.03720	36.3
233.04054	1.8
238.02760	0.8
243.02951	8.0
244.03624	2.8
247.06230	1.0
255.02974	1.3
256.03793	4.1
257.01022	0.4
258.01627	0.6
271.02463	6.7
272.03244	6.3
273.03323	0.5
273.90030	0.4
282.01791	1.0
285.04044	0.7
299.01907	0.9
300.02753	80.5
301.03128	5.4
315.05106	100.0
316.05417	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	315.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.3
59.01250	1.9
65.00193	1.0
65.03831	0.6
69.03325	0.4
69.39055	1.9
69.39482	1.2
71.01242	0.5
85.02826	0.6
91.01778	0.6
95.01300	0.5
101.02336	0.5
107.01308	0.4
108.02045	3.9
109.02838	10.5
119.01318	0.7
121.02871	0.9
123.00819	0.7
124.01559	0.4
125.02364	0.6
129.30797	0.3
135.00784	2.0
135.04390	0.8
136.07573	0.5
143.04855	0.6
148.01547	10.6
149.99432	0.5
151.00291	1.1
152.01030	3.1
153.01842	7.9
157.02876	0.4
159.04413	0.6
161.02357	0.4
161.05925	0.5
163.00278	7.8
164.00885	0.5
169.01352	0.7
170.03566	0.6
171.04471	1.2
172.05203	1.6
183.04456	1.5
187.03938	0.9
188.04697	0.5
189.05388	0.4
190.99777	21.3
192.00522	3.9
198.03204	1.0
199.03935	4.5
200.04730	2.5
210.03146	0.6
211.03934	2.2
213.01860	0.5
215.03421	1.3
216.04211	1.4
225.01717	0.5
226.02573	2.2
227.03455	7.4
228.04103	2.0
239.03438	1.5
243.02975	3.7
244.03621	1.6
254.02155	1.4
255.02922	7.1
256.03726	12.6
257.04099	1.1
271.02457	7.1
272.03201	2.7
282.01697	0.8
283.02405	4.2
284.02795	0.4
285.03873	0.5
299.01953	12.9
300.02719	59.3
301.03024	4.4
315.05023	100.0
315.18076	1.2
316.05353	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0513
Annotation	MS 347
Peak:m/z	Relative Intensity
59.01240	3.5
63.02271	1.6
64.99899	0.8
65.00203	9.6
68.99683	0.8
69.40272	7.2
83.01260	1.9
86.68739	0.7
91.01745	1.1
93.03310	1.4
95.01248	4.9
104.03601	0.9
107.01292	4.4
108.02046	7.9
109.02831	3.3
109.99983	1.2
111.00748	1.4
117.77286	0.9
119.01270	1.7
121.02781	1.6
123.00784	5.6
123.04383	2.0
124.01545	3.1
132.02063	3.5
132.23596	0.8
133.02866	4.4
134.03609	2.8
135.00757	1.2
136.01550	1.1
136.98715	7.7
137.02333	4.8
147.00746	1.6
147.04376	1.4
148.01546	2.6
149.02368	1.1
149.99516	0.9
151.00276	4.9
151.03868	1.6
152.01016	3.6
153.01808	2.0
158.03616	1.0
159.04399	0.9
161.02356	3.0
163.00259	3.8
163.03874	0.9
164.01056	1.5
165.01848	12.8
165.98955	1.3
172.05203	1.8
173.02379	1.0
174.03087	1.6
176.01097	1.3
183.04433	3.2
185.02367	1.0
186.03183	0.9
187.03896	3.6
188.04700	3.4
189.05434	1.6
192.00635	4.0
195.04433	1.7
198.03053	1.0
199.03947	5.3
200.04724	4.0
201.01944	4.1
202.02525	1.9
203.03485	1.2
205.04916	1.2
211.03946	5.7
212.04721	3.9
213.01791	1.1
213.05484	1.9
214.02637	1.5
215.03362	3.0
216.04132	3.1
226.02716	1.1
227.03453	9.2
228.04221	4.9
229.01503	1.5
229.04781	1.6
232.03763	1.6
239.03386	2.7
242.02173	1.0
243.03001	5.4
244.03714	1.6
254.02135	2.4
255.02956	14.1
256.03720	10.2
257.04388	3.3
259.06033	1.2
269.04651	2.0
270.01785	0.8
271.02435	9.7
271.06064	7.8
272.03250	10.6
282.01633	1.8
283.02475	9.3
284.03268	44.3
285.04007	22.5
286.04462	1.4
287.05588	6.6
297.04016	3.3
299.01855	1.5
300.02808	60.3
300.06180	10.1
301.03079	3.7
315.05057	100.0
315.07977	4.9
315.21826	3.2
316.05371	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	313.2383
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
57.32150	0.2
59.01247	100.0
59.52047	0.2
60.01590	0.8
68.72622	0.2
70.22289	1.1
71.01244	0.3
79.87281	0.3
82.96365	0.3
87.11704	0.3
89.02257	0.3
95.30875	0.2
98.19798	0.3
101.02343	0.4
106.20224	0.3
139.82843	0.3
145.03314	0.3
205.14993	0.3
213.38916	0.3
225.22214	1.1
253.21681	6.1
254.22031	0.5
269.21371	0.3
271.22757	41.2
272.23090	3.2
313.11053	0.4
313.23807	11.4
314.24161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01579	0.7
67.97471	0.5
69.13423	0.5
69.32597	1.0
69.33002	4.0
71.01243	1.1
89.02324	1.1
89.72009	0.5
101.02307	1.0
109.32104	0.6
143.03404	0.6
184.01497	0.9
185.00647	3.9
199.02278	0.7
225.22322	1.0
253.21666	4.9
271.22760	40.5
272.23172	3.2
298.04831	0.6
313.07388	0.7
313.16748	9.6
313.23795	12.8
313.27304	1.0
314.17502	1.3
314.24182	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	315.0509
Annotation	Pedalitin
Peak:m/z	Relative Intensity
57.03350	0.5
59.01264	1.1
63.02254	0.7
65.00182	2.1
71.01269	1.2
71.58335	0.7
73.02787	0.4
83.01253	5.2
83.01703	0.4
85.02868	0.3
85.31713	0.3
87.26017	0.4
87.72696	0.3
91.01765	3.9
95.01276	1.0
96.36663	0.3
98.20500	0.3
101.02299	0.5
107.01264	2.5
108.02056	3.7
109.02840	4.2
121.02824	0.7
123.00751	5.2
124.01550	1.1
125.02331	3.7
132.02142	0.3
134.03560	0.3
135.00752	3.6
135.04457	0.4
136.01537	0.5
137.02357	0.5
146.03587	0.4
147.04436	0.3
148.01500	2.0
149.02335	2.5
149.99513	0.6
151.00275	4.6
152.01065	1.4
153.01831	5.1
158.03703	0.6
159.04453	0.5
160.01543	0.3
160.05258	0.6
161.02336	2.7
162.03004	0.3
163.00288	1.4
163.03914	1.5
163.53880	0.3
164.01068	0.8
164.04709	0.8
169.01340	0.8
171.04428	0.6
172.05305	0.6
173.02409	0.7
174.03175	0.7
175.03951	0.9
176.01041	2.1
177.01837	1.3
178.02557	0.3
183.04471	0.7
186.03053	0.5
187.03889	1.5
188.01091	0.4
188.04706	2.9
189.01892	0.6
190.02592	4.0
191.03438	1.1
198.03177	0.4
199.03935	2.7
200.04716	1.6
201.01930	1.3
202.02621	0.4
203.03389	4.0
204.04214	0.8
205.04907	1.6
211.03979	0.6
212.04704	1.0
213.01880	0.5
213.05467	0.5
214.02647	4.4
215.03416	6.0
216.00719	0.7
216.04189	8.2
217.01404	0.9
217.04684	0.4
219.06558	0.3
227.03452	3.5
228.04129	1.7
229.01440	0.8
229.04958	1.0
230.02122	1.8
231.02931	1.1
232.03716	30.2
233.04079	1.7
241.04977	0.4
243.02942	5.1
244.03693	1.9
247.06073	15.3
248.03329	0.7
248.06461	0.9
255.03008	1.7
256.03696	3.5
256.06152	0.4
257.00934	0.5
257.04376	0.6
258.01651	0.5
271.02521	3.1
271.06146	0.9
272.03232	1.3
283.02499	0.8
285.04077	5.4
286.04813	0.4
287.01990	0.5
287.05536	0.6
299.02026	0.9
300.02750	42.1
300.06223	3.9
301.03101	2.5
301.06271	0.4
315.05096	100.0
315.08652	13.0
316.05408	7.4
316.09033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Melannein
Peak:m/z	Relative Intensity
55.68726	0.4
57.54080	0.4
59.01273	1.6
65.00213	0.9
70.25031	0.4
71.01268	0.6
71.59446	0.6
89.02357	1.2
93.03354	0.6
109.02873	0.5
117.03383	0.5
119.03383	0.5
120.41681	0.4
121.02899	0.4
123.00774	0.8
135.00801	0.7
136.98730	0.7
139.05403	0.6
142.04213	0.6
143.04919	0.7
149.02356	0.4
149.99409	0.4
155.04918	2.0
158.03647	0.7
159.04414	1.1
160.98781	0.6
163.00208	0.4
167.03514	0.6
167.04906	4.6
169.02931	0.9
170.03679	0.5
171.04480	1.7
177.01884	0.6
182.03665	0.6
183.04422	9.2
183.05917	0.6
185.02405	1.7
186.03197	1.3
187.03955	1.6
195.04468	1.0
195.13857	0.5
197.02386	0.8
198.03139	1.9
199.03925	8.0
200.01151	0.8
201.05537	0.6
210.03230	0.6
211.03955	21.2
212.04314	1.0
212.91333	0.4
213.01894	7.5
214.02597	1.6
214.06346	1.1
215.03407	1.4
225.01848	0.6
225.05473	0.6
226.02699	1.3
226.06296	3.8
227.03450	24.7
228.03816	1.4
237.01900	1.0
238.02628	0.6
239.03485	5.2
241.01401	1.7
241.05009	0.8
242.02182	2.2
243.02936	0.7
253.01431	1.8
253.09262	0.6
254.02022	1.6
255.02965	67.7
256.03323	4.3
269.01010	0.4
269.04520	2.1
270.01752	5.2
270.05316	16.6
271.02426	1.5
271.05508	0.8
281.00873	3.9
281.04187	0.7
282.01517	2.4
283.02469	60.4
284.02780	3.4
285.04077	2.6
285.07669	8.3
286.04510	0.5
286.08167	0.7
297.04031	1.6
298.01346	7.6
298.04788	100.0
299.01825	1.5
299.05090	6.7
313.03549	9.7
313.07129	78.2
314.04175	5.0
314.07562	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	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.8
65.71419	0.5
70.06886	0.5
70.98801	0.6
70.99170	1.5
71.01255	1.5
89.02309	1.6
96.09031	0.5
119.01321	0.6
119.03400	0.6
121.02825	2.0
135.00809	0.7
148.01550	1.1
148.46091	0.5
165.01828	2.2
171.04413	0.8
183.04462	1.4
199.03914	1.9
211.03923	3.7
215.03362	0.9
226.02711	0.7
227.03439	5.2
239.03467	2.9
241.04997	1.3
242.02223	0.7
242.05797	1.0
253.09285	0.7
254.02130	1.1
255.02966	82.0
256.03345	3.5
269.04486	1.8
270.05222	0.9
283.02475	59.9
284.02856	4.4
285.04266	0.7
297.04041	2.4
298.04822	100.0
299.05127	7.5
313.07178	59.0
313.23700	6.4
314.07462	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	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06372	0.6
58.91779	0.7
59.01306	2.1
62.34865	0.7
65.00249	0.8
71.01305	1.5
71.58500	1.2
73.02869	1.0
83.01286	0.6
85.02874	1.1
89.02356	1.0
101.02410	1.3
107.01311	0.8
117.03400	1.2
136.98779	0.7
137.03522	0.6
147.00804	1.3
148.01634	1.6
149.02370	1.3
151.03969	0.9
155.04968	1.3
159.04507	1.3
161.02399	0.9
165.09172	1.2
167.04974	0.9
171.04443	4.2
171.10237	1.0
175.00356	1.2
182.03616	0.7
183.04424	6.8
185.02434	1.8
198.03163	0.9
199.03935	7.6
199.17273	0.6
200.04340	0.7
211.03954	13.1
211.13387	0.7
213.01869	2.0
221.11839	0.7
221.54333	0.7
225.05513	0.9
226.02667	2.1
227.03456	23.0
228.03743	1.7
238.02818	0.8
239.03474	4.1
241.04883	0.9
242.02176	0.9
254.01978	1.4
255.02959	73.2
256.03406	3.5
269.04541	11.8
270.01761	1.5
270.05237	8.5
271.05591	1.0
282.01666	1.3
283.02466	63.1
284.02829	4.2
285.03940	0.8
297.00458	1.3
297.03821	1.1
298.01178	13.5
298.04758	100.0
299.01636	1.5
299.05142	6.1
313.03497	10.7
313.07095	63.2
313.20166	3.2
313.23657	1.3
314.04111	0.9
314.07339	4.0
329.91650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90766	0.1
59.01245	0.5
61.31064	0.1
70.94515	0.2
71.01260	0.2
74.88829	0.1
77.03838	0.2
81.29924	0.1
89.02330	0.3
92.98141	0.1
93.03306	0.2
106.31032	0.1
121.02845	100.0
122.03183	2.6
140.50880	0.1
141.21391	0.1
152.65106	0.2
179.05444	0.2
180.05692	1.0
181.06509	4.2
182.06859	0.3
211.04041	0.2
225.05530	6.4
226.05991	0.4
255.02957	1.0
256.50180	0.1
269.04895	0.1
269.08151	0.4
283.02509	0.5
298.04843	1.3
313.07169	14.9
313.23816	0.5
314.07492	1.0
316.27155	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	313.0718
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01274	2.0
59.90500	0.6
61.91980	0.5
71.01272	1.1
89.02328	0.9
96.54108	0.6
101.02323	0.6
107.09488	0.6
119.03394	0.6
121.02831	1.2
151.03912	0.8
154.73499	0.6
157.02879	1.0
171.04453	1.4
183.04451	1.8
187.03896	2.8
198.03157	1.0
199.03870	2.8
211.03923	10.2
213.01965	1.4
214.02702	0.7
227.03430	42.3
228.03844	2.5
239.03548	0.7
240.50603	0.6
242.02229	1.2
252.04282	0.7
255.02943	100.0
256.03333	5.8
269.04510	1.2
270.02301	0.9
270.05304	27.6
271.05615	1.8
281.00955	1.0
283.02441	30.2
284.02817	1.9
285.07654	22.0
286.07904	1.9
298.01120	2.5
298.04712	18.7
299.05261	2.1
313.03558	5.4
313.07111	53.2
313.23648	1.9
314.04123	0.9
314.07382	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	313.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29797	0.5
55.86367	0.4
59.01254	2.6
71.01253	1.1
75.04954	0.4
83.04883	0.7
89.02325	1.4
93.03324	0.5
101.02337	0.6
106.01887	0.5
113.02337	0.7
121.02843	1.4
132.02127	0.5
151.06081	0.6
155.04883	0.9
159.04385	0.5
167.04996	1.2
183.04431	1.1
183.13850	1.0
199.03903	1.8
207.09926	0.8
211.03954	4.0
212.04333	0.7
213.01872	2.6
214.06285	0.5
227.03427	1.2
239.03429	1.9
245.19025	2.7
253.09097	0.6
255.02969	72.0
256.03342	3.8
270.05399	6.2
281.01007	0.7
283.02475	35.0
284.02750	2.5
295.22916	0.7
297.03851	0.9
298.04825	100.0
299.05188	6.8
313.07181	60.8
313.10193	1.6
313.17798	12.3
313.23636	5.8
314.07428	3.8
314.18216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0355
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
51.94177	0.4
54.05571	0.4
56.98788	0.3
57.01195	0.4
57.32591	0.4
58.97156	0.4
59.01236	1.9
63.02300	0.5
64.24061	0.5
65.00218	0.4
70.61640	0.8
70.62025	1.1
71.01281	0.7
73.05027	0.4
87.59842	0.3
89.02364	1.5
101.02383	0.5
112.49617	0.4
118.33897	0.4
119.03413	0.6
121.02871	1.2
122.93938	0.4
125.90808	0.4
130.04156	0.6
132.00488	0.4
136.98775	0.6
145.02893	0.6
146.03664	1.4
150.03078	0.5
151.00270	0.8
154.04199	1.7
157.02937	0.5
158.03662	1.6
160.01590	0.5
161.02397	1.3
164.01164	1.7
169.02844	1.0
170.03647	3.2
171.14441	0.4
173.02364	0.6
174.03142	4.1
176.01068	2.1
176.24330	0.4
177.01897	1.9
182.03696	1.3
183.04312	0.5
185.02354	2.8
186.03185	3.2
187.03659	0.4
188.01096	4.6
189.01857	1.8
190.02718	1.2
197.02335	1.0
198.01341	0.8
198.03160	12.5
198.04916	0.8
199.03711	0.8
200.01108	0.6
201.01874	3.4
202.02626	3.2
202.99828	1.6
203.03519	1.0
204.00545	0.5
205.01419	0.6
206.02240	0.6
210.03180	0.6
211.03947	1.3
212.01263	0.4
213.01875	8.0
214.02657	13.8
215.03096	0.7
218.02161	3.3
223.70479	0.4
225.01820	1.0
226.02690	3.3
227.03455	5.0
229.01398	2.4
230.02133	3.1
241.01428	1.9
242.02168	24.1
243.02609	1.8
245.00952	2.2
246.01695	0.9
252.00638	1.1
253.01411	9.1
254.02034	2.0
255.02957	13.6
256.03323	0.9
269.00925	5.9
270.01718	15.8
270.05316	4.0
271.01996	1.2
274.01334	0.9
281.00925	23.0
282.01215	2.0
283.02469	4.6
285.04086	2.2
285.07681	2.8
294.36508	0.5
297.00406	11.5
298.01208	54.1
298.04639	3.0
299.01572	5.0
299.05011	0.7
313.03561	100.0
313.07028	7.1
313.23996	1.3
314.03922	8.8
314.07312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0353
Annotation	Gomphrenol
Peak:m/z	Relative Intensity
50.86711	0.4
58.00870	0.4
59.01257	2.3
65.00194	0.7
69.03324	1.1
71.01255	1.5
71.59227	0.5
71.59645	0.6
73.24132	0.4
83.01258	0.9
85.02822	1.1
89.02332	1.1
93.03324	0.7
95.01268	6.7
101.02394	0.8
107.01279	6.1
108.02058	1.2
109.02834	2.4
109.99958	1.1
111.00756	1.7
117.03352	0.7
119.03380	0.8
121.02832	0.8
123.00762	4.3
124.01566	3.8
125.02292	0.9
133.02864	1.8
136.01517	0.6
137.02367	1.3
143.04932	1.7
145.02870	0.8
147.00851	0.6
148.01582	1.3
149.02374	1.0
151.00273	13.1
151.01498	0.8
152.00665	0.7
153.37726	0.6
155.04936	0.5
157.06488	0.6
158.03670	0.9
159.04465	2.0
161.02356	2.6
161.06050	0.5
163.00247	0.7
167.04939	1.1
169.01370	1.4
169.02803	0.7
169.06541	1.0
171.04384	2.6
173.02316	1.2
173.05968	0.7
174.03160	0.7
174.89449	0.5
175.00296	0.7
176.01079	1.6
177.01814	1.3
179.05432	0.7
183.04425	1.8
184.05148	1.0
185.02406	1.3
185.05988	2.8
186.03197	0.6
187.03931	1.9
189.05533	3.1
195.04442	1.9
197.02374	0.7
197.06041	1.2
198.03215	3.2
199.03941	3.9
200.01152	0.6
201.01862	0.7
201.05521	1.5
202.02477	0.7
211.03931	6.0
212.04691	2.7
213.01884	1.1
213.05475	5.6
214.02673	1.7
214.06087	0.5
215.03487	3.6
217.04953	2.5
223.03889	1.6
225.05406	0.5
226.02708	3.3
227.03423	5.7
228.04089	0.7
229.05037	1.8
239.03487	2.7
240.04227	1.7
241.01390	0.8
241.05008	5.3
242.02206	1.4
243.02950	1.4
255.02960	11.6
256.03610	2.1
257.04492	4.1
267.02914	2.6
269.01425	0.5
269.04559	1.6
270.01852	4.0
270.05148	4.0
271.02411	1.1
282.01578	0.6
283.02463	5.9
284.03235	3.4
285.04041	21.7
286.04422	1.3
286.60437	0.5
295.02551	0.8
298.01346	2.4
298.04776	22.5
299.02087	0.7
299.05014	2.2
313.03571	100.0
313.07141	12.8
313.24002	0.7
314.03906	8.8
314.07346	0.9
317.82169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.62114	0.4
57.03308	1.2
59.01251	5.2
71.01241	0.7
73.02806	0.6
97.06448	1.2
98.19833	1.2
101.02306	0.5
101.80624	0.5
117.33542	0.4
120.66485	0.4
121.14403	0.4
123.08104	0.5
125.09621	4.0
139.11194	1.4
141.09131	2.1
141.12753	1.1
151.07526	0.4
153.09102	1.4
155.14290	2.4
157.12221	1.3
169.08626	0.6
171.10193	2.5
181.15823	0.7
183.01125	2.0
183.13844	0.7
197.02698	1.2
199.09741	0.5
200.10529	2.4
229.22856	0.5
229.78485	0.5
249.22166	2.7
251.11314	0.8
265.21652	1.3
267.23190	1.2
275.20255	1.4
293.21213	8.0
294.21753	0.8
294.88962	0.5
311.17044	11.6
311.22275	100.0
312.17206	1.0
312.22583	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	311.2226
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.71205	0.7
57.03302	1.5
58.00438	0.8
59.01266	4.8
68.13164	0.7
73.02818	1.0
77.74685	0.7
83.04894	1.0
97.06437	1.4
98.19835	1.9
101.94198	0.9
121.10123	3.1
123.08050	1.3
125.09621	4.1
127.11182	5.5
137.09645	1.6
139.11188	17.3
141.12689	0.9
151.78038	0.8
155.10626	4.1
165.12888	0.7
167.10709	1.4
171.10172	80.5
172.10486	3.2
183.10159	7.3
185.11752	18.6
186.12097	0.9
193.12254	1.4
201.11246	12.4
211.13315	1.3
249.21915	1.1
253.99290	0.7
275.20139	6.2
293.21194	27.4
294.21432	1.8
311.22244	100.0
312.22580	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.93183	0.9
57.03337	1.8
59.01254	14.9
69.03314	1.5
71.01266	2.0
83.04903	0.9
99.08033	4.8
111.08072	1.7
113.09618	5.0
118.26039	0.9
129.09091	8.5
135.11664	1.2
153.12762	11.7
157.08615	21.9
158.80907	0.9
163.11212	1.0
169.12291	3.2
171.10222	1.2
181.12242	7.3
183.13821	3.7
187.09720	2.4
193.12276	3.6
197.11766	10.4
199.13359	4.2
211.13350	23.0
213.14911	5.3
219.36903	0.8
223.37254	0.9
249.09056	0.9
251.11540	0.8
275.20151	3.8
293.21222	25.1
294.21552	1.6
311.22284	100.0
312.22559	6.8
325.72711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03314	0.8
59.01245	8.3
61.45810	0.7
67.59483	0.8
69.64984	5.0
71.01268	1.3
78.24459	0.9
86.03135	0.7
97.06477	0.7
101.02358	0.9
113.09593	0.8
115.07488	1.0
127.07578	1.0
134.17059	0.7
138.92946	0.8
139.11156	1.0
141.38142	0.6
144.12068	0.7
167.14304	4.3
171.10150	2.2
183.01093	3.5
183.13753	2.2
195.13806	9.9
197.02678	1.4
197.85112	0.7
211.13316	1.6
211.78793	0.7
213.14998	0.9
251.11302	1.3
265.21506	1.3
267.23184	0.8
293.21207	9.9
294.21417	1.1
311.17166	4.8
311.22253	100.0
312.22632	7.1
332.07553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03315	1.6
59.01231	4.9
59.22660	1.0
66.60470	1.1
69.03323	1.5
70.63354	1.1
70.63703	3.6
73.25096	1.1
99.08047	2.3
113.09557	1.7
125.09626	1.9
127.11211	3.2
129.09058	2.5
139.11169	7.0
155.10742	1.5
167.88377	1.1
169.12349	1.9
171.10158	40.6
172.10535	2.1
181.12250	3.9
183.10197	3.5
185.11755	6.3
193.12218	1.4
197.11746	6.9
199.13292	3.9
201.11227	9.4
211.13324	11.9
275.20065	4.6
293.21216	19.3
294.21487	1.5
311.22247	100.0
312.22528	8.1
328.69424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.31948	0.7
57.03307	1.7
59.01254	5.8
60.32170	0.6
67.68849	0.6
71.01260	0.7
88.52711	0.7
99.08023	3.3
111.07997	0.9
113.09628	3.7
121.02826	0.9
121.10046	1.3
129.09077	4.8
131.38612	0.8
137.09662	1.1
139.11154	5.0
167.14285	1.0
169.12259	1.6
171.10194	7.5
177.12776	1.2
181.12210	4.1
183.10184	0.9
183.13789	1.1
193.12215	3.1
195.13731	1.6
197.11745	5.5
198.12085	2.3
199.13396	1.1
211.13321	13.8
249.22162	1.5
275.20023	1.4
293.21198	31.8
294.21512	1.8
311.22250	100.0
312.22580	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	311.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
61.58877	2.6
69.75497	17.3
71.01260	10.7
72.79638	2.3
85.02831	3.6
89.02277	2.5
101.02306	8.9
113.02346	3.2
159.02939	3.0
160.73883	2.7
161.04448	9.0
189.05460	4.1
251.11324	19.0
306.56482	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	311.2225
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03320	2.4
59.01244	2.7
64.88283	0.8
70.26136	0.9
70.49503	2.9
83.04914	1.2
99.08018	3.3
110.68497	0.8
110.81680	1.0
113.09609	4.4
129.09123	6.3
133.69759	0.8
139.11160	2.3
151.11188	1.8
153.12666	0.8
158.81578	0.9
165.12776	1.4
167.10637	1.0
169.12228	2.8
171.10150	8.8
181.12271	5.7
183.13838	2.2
185.11824	0.9
193.12230	4.6
197.11761	13.4
199.13342	6.3
210.44043	0.8
211.13319	24.5
212.13420	1.1
239.41556	0.9
247.85381	0.9
265.21808	1.1
275.20081	2.1
293.21194	25.8
294.21439	1.4
311.22247	100.0
312.22540	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62259	1.5
53.89222	1.6
59.01251	100.0
61.84227	1.5
69.54459	8.4
69.54883	4.3
71.01254	10.8
73.02830	4.0
77.03831	2.0
79.01801	2.1
80.20518	1.7
85.02827	4.1
87.00729	2.7
89.02310	2.0
91.25618	1.5
93.03335	1.7
101.02322	5.6
113.02327	1.9
116.48067	1.6
117.03367	5.8
121.02806	8.5
125.02379	1.9
125.03422	2.5
135.04379	2.5
149.02368	1.8
159.04344	2.1
161.04544	2.9
166.02629	5.4
187.03911	2.6
195.07629	1.8
234.26126	1.8
239.03778	8.7
243.02899	1.8
283.06012	18.9
305.64325	2.0
311.02176	3.6
311.05527	25.2
311.15106	3.3
312.06662	9.9
312.09811	2.4
316.02243	2.5
328.94437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35318	0.4
57.70055	0.4
58.52743	0.4
59.01234	1.3
59.38368	0.4
60.42043	0.5
67.29939	0.4
69.50391	2.5
69.50806	1.1
71.01235	2.0
82.53946	0.4
87.00753	0.4
89.02301	0.7
93.03339	0.6
99.00768	2.4
101.02292	0.8
109.02886	0.6
111.00785	0.7
119.04910	54.8
120.05257	1.6
135.04341	1.4
147.02895	5.3
149.04431	1.1
150.39261	0.4
163.03908	100.0
164.04248	3.4
165.03981	3.4
201.25201	0.5
205.86398	0.5
221.04520	3.3
311.07715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71180	0.4
53.28388	0.5
54.42502	0.4
59.01240	2.9
67.74753	0.4
71.01247	3.4
71.13770	0.9
72.99197	1.1
73.02820	1.7
75.00756	1.6
77.03967	0.4
87.00746	19.8
89.02312	7.5
89.71572	0.4
93.03293	0.6
99.00746	3.8
101.02332	2.0
105.01813	20.0
107.65099	0.5
114.93826	0.4
117.01813	1.0
119.04908	61.6
120.05227	2.4
131.03415	1.4
133.02797	0.4
134.03619	0.7
135.04410	6.3
146.07843	0.4
147.02878	6.4
149.04448	24.0
150.04736	0.6
161.02414	0.7
163.03912	59.3
164.04306	2.4
165.03954	100.0
166.04263	2.7
179.03403	3.3
311.07721	2.2
334.90900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03301	2.1
59.01251	4.2
69.03312	1.1
71.01226	1.5
71.04868	3.4
75.00760	0.7
83.04865	2.0
95.04921	0.8
96.95872	0.7
97.02830	1.1
97.06454	3.2
98.20547	1.8
107.04900	0.7
111.08071	0.8
112.66090	0.7
113.09623	3.2
115.07510	2.2
119.08565	1.1
121.10062	0.9
125.05943	1.3
125.09566	1.1
126.06742	0.8
137.09604	4.8
139.11122	1.4
139.19281	0.6
141.09093	1.6
151.11032	0.6
162.73645	0.8
163.11078	0.8
165.12743	3.5
166.91920	0.8
167.10703	1.2
167.14296	2.4
171.10178	11.9
172.10533	0.7
179.14323	0.7
181.12285	3.5
183.13823	3.0
185.11783	1.6
193.12241	1.5
195.13808	2.8
197.11729	1.8
205.12187	0.7
209.11662	0.9
210.21439	0.7
211.13315	5.9
219.13808	0.7
221.15450	1.1
223.13243	4.4
229.14444	1.5
237.14964	0.8
240.13643	1.9
240.65634	0.7
247.20642	3.9
251.16533	3.3
263.20248	0.7
265.18045	2.1
273.18466	3.1
281.21216	1.2
291.19632	51.6
292.20096	3.9
309.20679	100.0
310.20981	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01754	1.1
57.03329	3.3
58.00471	1.0
59.01252	6.8
67.79208	0.6
69.03323	2.6
69.91113	0.6
71.01260	2.0
71.04891	19.4
71.05289	1.0
71.59208	0.7
73.02800	0.8
74.88563	0.8
83.04897	2.0
85.02816	0.9
93.06953	0.9
95.04920	1.4
95.22705	0.6
96.95900	1.9
97.02826	2.6
97.06470	5.0
107.04886	1.6
109.02856	0.8
109.06459	1.6
111.08041	23.0
112.08314	0.7
117.68858	0.7
119.08564	2.1
121.02681	0.6
121.10110	4.5
123.08041	2.2
125.09629	5.4
127.07557	1.5
127.11179	1.3
135.08047	1.9
137.09621	22.3
151.11172	1.6
153.09201	0.7
153.12727	1.2
157.96387	0.6
163.11174	2.0
165.12755	2.9
166.91963	1.7
167.10605	0.8
169.12219	3.5
171.10191	47.6
172.10478	1.6
179.14265	0.8
181.12234	2.6
183.10240	0.6
183.13852	1.2
185.11774	9.2
193.12227	0.9
193.15993	0.8
195.13770	1.1
197.11774	50.1
198.12091	2.8
199.13356	2.1
207.13834	1.7
209.11781	2.9
211.13364	5.3
219.13902	1.6
221.15407	1.3
223.13393	0.9
227.12852	5.9
233.15430	2.5
235.16982	2.2
237.14868	2.3
239.16530	4.4
247.20660	3.7
251.16519	17.3
252.16891	1.4
263.20154	2.7
265.18100	2.1
273.18561	3.4
291.19666	76.3
292.20090	6.2
309.20700	100.0
310.21060	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	309.2068
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.59126	0.5
57.03308	0.8
59.01226	1.0
62.35695	0.4
66.95397	0.4
69.03322	0.7
69.58051	3.1
71.01235	0.4
72.01285	0.4
79.06674	0.4
83.04886	0.5
83.60999	0.4
93.44814	0.4
95.04874	0.5
97.02840	0.4
97.06452	3.0
98.19778	0.6
99.08022	0.6
111.08015	1.0
113.09604	3.4
114.12932	0.4
115.07530	2.2
125.05924	0.9
125.09635	0.5
126.06736	1.1
127.07536	0.4
128.12012	0.4
128.32181	0.4
132.41249	0.5
139.11226	0.6
141.09116	2.5
151.11145	0.9
152.08421	0.4
154.09935	0.5
155.10648	0.5
163.11217	0.7
165.12730	3.7
167.10678	0.9
167.14268	2.0
179.07014	0.5
179.14340	0.5
181.12230	4.6
183.13757	1.2
193.12274	2.0
193.15892	0.5
195.13782	2.2
197.11781	0.6
211.13263	5.0
213.14894	0.9
217.00914	0.4
221.15399	1.9
229.14397	0.9
236.55769	0.4
240.13489	2.3
241.14377	0.7
245.19193	0.4
247.20604	3.9
263.20163	0.4
265.21695	0.6
273.18546	3.3
281.21207	1.7
291.19635	46.6
292.19986	4.2
309.20667	100.0
310.21060	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	1.3
59.01246	1.5
60.72416	0.8
69.03328	1.7
71.13741	2.0
73.02817	1.4
74.16216	1.0
75.00772	0.8
83.04904	1.1
83.73910	0.9
87.80087	0.9
111.07275	2.0
111.08042	34.2
126.80669	0.8
127.07545	3.3
151.11185	1.0
153.12796	2.0
166.44490	0.9
167.10635	1.1
168.88208	0.9
169.12294	6.1
181.12288	1.6
197.11757	100.0
198.12096	4.2
199.13336	5.2
211.13356	9.8
227.12929	2.1
247.20667	1.2
263.20068	7.9
265.18079	1.9
273.18549	2.2
291.19641	18.0
292.19946	2.0
309.20709	32.8
309.24265	1.8
310.21002	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01243	2.0
59.89838	1.1
62.17144	1.1
69.03316	2.4
69.84682	5.2
69.85094	2.3
71.04877	1.4
83.04881	1.3
97.02822	2.7
97.06448	1.4
105.23532	1.2
109.06446	1.7
111.08042	15.2
119.08559	1.4
125.09606	1.9
137.09605	2.5
141.12688	1.3
151.03897	2.8
151.07491	2.5
152.08286	3.4
161.09528	1.2
163.11165	4.0
165.12723	7.5
166.09776	1.2
169.12242	1.7
171.10146	5.2
177.12729	1.6
179.14326	3.5
181.12236	3.4
183.13805	1.6
193.12289	1.8
195.13834	3.0
197.11768	35.5
198.12164	1.6
200.11395	1.2
209.11752	2.3
209.15399	8.8
211.13347	7.8
223.13303	3.4
233.15422	1.7
247.20703	7.0
263.20068	2.9
265.18109	2.0
273.18610	2.5
273.83759	1.4
291.19662	100.0
292.20071	8.4
309.17078	10.5
309.20651	97.2
310.20883	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60107	1.3
57.03316	9.5
58.09333	1.2
59.01244	4.2
66.66105	1.1
69.03329	1.9
69.86170	5.0
69.86577	3.0
70.73232	1.4
71.04881	6.9
78.58024	1.2
83.04888	5.3
85.06454	5.9
87.04389	2.1
97.02830	4.0
97.06458	2.1
98.20543	1.5
107.82964	1.2
109.06501	6.3
111.04427	1.6
111.08038	3.2
127.07566	1.4
137.09613	1.4
167.10698	2.0
171.10141	2.1
177.12804	2.1
177.92043	1.7
179.10605	1.3
179.14330	4.1
191.34476	1.4
195.13823	23.4
205.12344	4.5
217.15906	1.8
221.15427	26.2
222.15836	1.6
223.13354	12.9
235.16934	1.7
239.16435	5.9
247.20682	2.4
251.16522	3.0
273.18567	3.5
291.19650	77.1
292.20035	6.7
299.87637	1.4
309.20694	100.0
310.21085	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	5.1
59.01245	20.8
68.61027	3.9
71.01260	6.1
77.16689	4.1
80.96369	3.9
89.02299	4.0
95.01250	4.5
97.06469	7.2
98.78497	4.0
111.08047	20.9
135.04382	4.8
151.03873	12.2
151.07561	22.8
152.08319	20.8
153.12749	6.5
153.73566	4.4
163.98598	3.4
171.10204	8.5
179.14348	6.1
181.12234	7.4
183.13869	21.5
185.11604	4.3
195.13756	5.9
197.11746	35.6
209.11787	7.0
209.15392	36.4
210.15724	4.5
211.13345	12.3
247.20599	9.1
252.10126	6.9
265.18106	9.9
273.18454	6.2
281.21158	5.6
291.19626	83.8
309.15189	16.2
309.17065	33.8
309.20694	100.0
310.21112	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03305	1.8
59.01245	11.5
67.40632	1.6
69.03325	4.4
71.01247	2.4
71.04897	5.8
81.03343	1.8
83.04902	2.1
85.02818	2.7
87.04408	2.4
92.71070	1.6
93.03367	2.0
95.15273	1.7
97.02826	6.8
97.06470	4.9
98.19718	2.5
106.86792	1.6
111.08023	2.7
121.10092	5.2
125.09575	4.2
130.84927	1.9
137.09592	4.7
143.07008	4.9
165.12727	2.8
171.10158	9.4
173.08095	2.8
185.11768	5.9
195.13803	13.9
197.11761	4.3
207.13892	1.8
207.17439	4.9
209.11755	1.8
211.13312	32.8
211.15158	2.9
221.15367	6.2
223.16963	25.1
229.19514	1.9
233.15419	12.5
235.17091	3.1
247.20541	3.1
251.16486	76.2
252.16878	4.6
273.18613	4.8
291.19653	68.1
292.20013	5.0
303.82364	1.5
309.20670	100.0
310.21069	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	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88601	0.8
54.44263	0.7
57.03291	0.9
59.01259	1.5
61.48758	0.9
76.59998	0.8
81.56329	0.8
109.06461	1.0
111.08031	36.2
112.08390	0.9
114.82200	0.9
127.07562	1.1
153.09064	0.8
153.12686	0.9
165.12759	1.2
169.12268	7.7
179.10626	0.8
181.12277	1.3
183.13651	1.1
197.11751	100.0
198.12071	3.2
199.13312	4.0
209.15356	1.1
211.13332	10.4
227.12846	3.4
247.20662	1.0
263.20071	4.9
265.05426	0.9
265.18024	2.5
273.62268	0.9
291.19626	18.8
292.20081	1.9
309.20673	31.6
310.21036	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19093	1.1
57.03308	1.6
58.93604	1.2
59.01235	3.0
63.09367	1.1
67.01751	1.4
69.03330	7.0
83.04887	2.1
84.02057	1.2
95.01215	1.2
97.02823	34.5
97.06445	3.9
98.20525	4.1
99.25708	1.2
111.08055	1.3
113.64052	1.2
119.08535	2.6
121.10094	1.5
123.04421	2.0
123.08065	1.6
125.09615	5.5
127.11162	1.5
137.09607	6.4
159.88676	1.2
163.11168	4.4
165.12758	12.3
166.09714	1.2
167.14510	1.2
171.10176	13.7
179.14262	2.3
181.12245	3.7
183.13808	3.9
185.11765	1.5
193.12267	3.5
193.15881	2.5
195.78009	1.2
207.10281	1.8
209.11772	7.3
209.15387	1.7
211.13300	2.3
223.13332	2.6
227.12787	6.5
229.41167	1.8
239.12805	1.4
243.30963	1.2
247.20659	13.5
273.18576	4.7
291.19650	100.0
292.20041	8.8
293.58957	1.4
309.20670	61.3
310.20984	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	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03316	13.2
57.63167	1.9
59.01251	10.7
60.03122	2.0
69.03325	3.1
69.50119	1.8
69.56861	11.3
71.01255	9.7
73.17742	2.0
79.95602	9.7
81.31934	1.6
83.04883	4.2
93.94447	1.6
96.95885	72.0
96.96504	3.9
97.06469	4.2
99.00744	2.3
101.02315	2.1
111.08016	7.2
113.09599	8.1
122.97448	2.7
125.09617	3.0
139.11140	2.5
142.33310	1.6
151.03912	3.0
151.07538	8.3
151.11180	22.4
152.08327	5.9
153.12767	2.2
155.10655	3.2
163.11119	4.1
165.12738	19.2
171.10176	3.4
179.10664	5.2
181.12242	24.0
185.11768	2.7
191.10707	10.0
194.57817	1.9
197.11768	5.6
209.11784	52.0
209.15341	9.5
210.12097	2.1
211.13316	5.4
227.12930	2.1
247.20625	6.8
252.09923	2.4
263.20273	2.9
265.21707	4.4
268.24072	2.1
278.83704	1.9
281.21158	4.0
291.19629	17.7
309.17297	100.0
309.20718	24.7
310.17639	6.1
327.94055	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11444	0.9
57.03305	3.5
59.01255	5.7
59.22674	0.8
64.39825	0.7
69.03310	2.8
69.23865	7.0
69.24287	2.1
71.01239	1.8
71.04871	1.2
77.27876	0.8
80.02547	1.5
81.03322	3.5
83.01244	7.0
83.04910	4.8
95.04887	1.8
97.02817	1.0
97.06467	3.9
98.03579	2.3
98.20515	1.6
99.08044	1.3
101.02277	0.9
109.06488	1.2
111.08002	2.5
113.06007	1.1
113.09634	1.3
123.04392	3.4
123.08021	3.4
125.05938	2.6
125.09618	11.4
127.11162	1.4
129.09096	1.2
135.08060	1.1
137.09612	2.7
139.10266	1.1
139.11188	12.6
141.09116	1.7
148.05142	1.9
151.03867	1.9
151.07498	3.3
151.11246	0.8
152.08282	1.8
155.14403	1.0
161.09679	0.9
163.11218	8.5
165.09087	1.3
165.12772	17.4
166.91936	1.2
167.10675	6.9
168.11395	1.3
171.10147	2.0
179.10614	0.9
179.14349	1.2
179.32910	0.9
180.04138	1.7
181.12279	4.7
183.13826	2.7
185.11690	1.6
191.10657	3.3
193.12218	1.9
193.15944	6.2
197.11746	4.3
200.77203	1.0
207.10179	2.1
209.11761	53.6
209.15253	3.1
210.12088	2.0
211.13397	1.9
219.17526	0.9
225.11311	1.1
235.05309	0.8
247.20668	16.6
248.20973	1.2
260.41882	0.8
265.17932	1.3
265.21585	3.0
273.18561	4.3
281.21088	1.4
291.19656	100.0
292.19986	9.2
308.98117	0.8
309.14954	3.1
309.17099	4.6
309.20596	33.9
310.15692	1.1
310.20901	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	309.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65321	0.2
57.93033	0.2
59.01244	1.1
71.01241	0.4
71.45489	0.5
79.95672	0.2
83.01225	0.3
97.02843	0.3
99.00754	0.5
101.82931	0.3
110.97943	0.3
111.08074	0.5
119.08575	0.2
127.07639	0.3
138.98604	0.3
148.05206	53.0
149.05580	1.9
151.03920	0.7
151.07587	1.6
152.08286	0.9
163.03784	0.3
165.05490	1.3
171.10182	0.4
179.00041	0.3
179.01660	8.0
180.04205	100.0
181.04533	3.7
182.04645	0.5
183.01253	0.3
197.02724	0.9
197.11797	1.3
209.15399	1.8
211.13318	0.4
247.20592	0.4
257.15378	0.8
265.17853	0.4
265.18463	0.5
265.21725	8.0
266.21985	0.6
291.14334	0.3
291.19614	2.7
309.03833	0.3
309.15396	5.7
309.20349	5.7
310.15720	0.6
310.21124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26419	0.3
56.73424	0.3
59.01240	1.3
61.95313	0.3
64.96888	0.4
67.86305	0.3
69.64251	1.4
69.64661	0.6
71.01249	0.5
79.95599	9.8
80.96376	1.3
83.88201	0.3
94.97974	0.9
95.95097	2.4
96.95882	87.3
97.69514	0.3
104.72546	0.3
122.97459	3.3
152.08315	0.5
161.04419	0.4
165.12711	0.8
183.13852	0.4
208.25150	0.3
209.15433	1.4
283.57593	0.4
291.19736	0.7
309.17386	100.0
310.17679	6.0
310.20966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10450	1.5
55.28265	1.5
59.01248	45.9
69.51328	14.2
71.01243	29.9
72.99168	2.1
83.01240	2.5
83.74909	1.7
85.02808	10.3
89.02305	27.9
95.01214	2.2
98.20519	3.1
101.02314	19.6
106.73445	1.6
113.02304	7.4
119.03369	16.8
129.05426	8.1
135.04366	3.0
143.03343	1.9
147.02930	1.7
147.06519	21.9
161.02293	1.9
161.04460	1.9
198.27901	1.9
299.07233	2.1
309.11865	100.0
310.12195	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	309.1186
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
50.10450	1.5
55.28265	1.5
59.01248	45.9
69.51328	14.2
71.01243	29.9
72.99168	2.1
83.01240	2.5
83.74909	1.7
85.02808	10.3
89.02305	27.9
95.01214	2.2
98.20519	3.1
101.02314	19.6
106.73445	1.6
113.02304	7.4
119.03369	16.8
129.05426	8.1
135.04366	3.0
143.03343	1.9
147.02930	1.7
147.06519	21.9
161.02293	1.9
161.04460	1.9
198.27901	1.9
299.07233	2.1
309.11865	100.0
310.12195	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	307.1913
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
56.97925	2.3
57.03310	11.7
59.01244	10.0
60.02243	2.6
69.03336	3.3
69.41982	2.2
69.52660	2.4
70.22277	7.5
70.22629	5.1
71.01258	9.8
71.04885	4.0
71.08816	2.6
72.55201	2.3
74.30940	3.2
79.88707	2.4
81.03339	2.6
83.04877	6.2
95.04929	2.5
97.06475	17.1
109.06451	5.4
111.08030	8.5
123.08003	3.0
125.09609	6.0
147.83902	2.4
149.09636	5.1
151.11189	20.4
153.09073	3.8
155.10689	17.0
158.23163	2.4
161.09714	2.5
163.11263	5.8
165.12721	20.4
167.10612	4.7
169.12164	4.2
177.12769	4.5
179.10672	7.9
181.12260	26.6
191.10690	10.9
191.14299	9.4
195.10410	3.1
197.11702	4.8
205.12215	3.1
209.11769	43.7
210.11942	3.5
211.13332	8.5
224.10454	3.3
231.85745	2.8
239.09129	4.0
245.19067	37.6
246.19476	4.2
261.18414	3.3
263.20062	14.4
271.16907	3.1
279.19745	7.7
289.18066	51.9
290.18436	3.7
307.19116	100.0
307.22610	6.0
308.19357	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2277
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
51.80643	0.7
57.09325	0.8
59.01283	0.8
70.54104	1.6
70.54482	2.4
72.09990	0.8
118.56762	0.9
140.95654	0.7
307.22778	100.0
308.23038	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	3.8
59.01239	5.7
61.45496	3.0
70.88971	7.6
80.89670	2.9
83.01266	7.5
83.04891	3.9
89.10079	2.4
95.04904	3.0
97.02823	4.8
97.06454	9.4
123.04395	10.9
123.08035	4.0
125.09580	14.9
135.08046	5.6
137.09618	8.4
139.11314	3.2
154.00539	3.8
163.07520	3.6
163.11224	11.6
181.12315	4.6
185.11758	19.0
188.88396	2.7
191.10695	3.4
191.14326	17.1
207.10196	8.8
209.11771	35.6
225.11285	8.7
245.19055	40.2
289.18076	100.0
290.18237	5.9
307.19135	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60115	1.7
57.03323	16.4
59.01245	11.6
59.99987	1.7
62.02408	1.8
69.03313	5.6
71.01269	12.9
71.04886	2.1
71.21961	3.9
80.02555	1.9
83.04890	6.0
85.02829	2.2
93.03345	3.0
95.04903	3.9
97.02785	2.1
97.06477	24.3
98.03615	2.0
101.02357	1.8
106.04189	2.1
107.04923	2.9
107.08549	3.1
109.02851	3.4
109.06462	5.0
111.08025	12.2
121.06472	2.1
123.04400	2.4
123.08028	2.6
125.09612	7.3
127.11167	2.5
135.04372	2.5
135.08043	2.7
137.09615	4.8
138.06834	2.1
149.09621	5.4
151.11194	30.0
153.05476	2.1
153.09085	4.2
153.12779	2.2
155.10678	15.1
163.11206	7.5
165.12750	34.7
167.10741	8.6
169.12256	2.7
171.10185	3.3
177.12743	5.0
179.10724	9.5
179.14366	2.4
181.12270	39.6
182.12582	2.2
185.11778	3.4
191.10703	13.9
191.14346	14.3
192.33228	1.8
195.10243	2.2
197.11821	4.3
205.12305	3.9
209.11777	66.9
210.12097	3.8
211.13368	15.1
224.10416	3.5
225.11345	2.8
235.20573	2.5
239.09271	5.3
245.19075	46.7
246.19380	4.9
263.20227	13.7
271.17093	2.7
279.19647	7.7
289.18109	56.7
290.18301	3.5
307.19162	100.0
308.19489	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	7.3
59.01240	6.4
71.01254	1.8
81.03343	4.4
83.01257	6.5
83.04887	3.4
95.04921	4.5
95.64775	1.3
97.02827	6.5
97.06463	7.5
98.19760	3.6
109.06436	2.4
111.04301	1.6
113.77827	1.5
121.06487	2.7
123.04395	8.8
123.08105	2.9
125.09603	18.0
135.08028	2.3
137.05949	3.1
137.09619	11.8
141.12772	3.4
144.90515	1.7
149.05991	5.4
163.11189	17.9
165.09111	1.7
165.12796	2.7
170.44237	1.9
171.10197	1.8
179.10715	1.7
181.12256	3.7
185.11743	21.8
191.10716	3.7
191.14366	17.6
191.19176	1.5
207.10114	9.7
209.11751	25.2
211.13313	2.1
217.15889	3.9
225.11278	10.0
229.16377	1.8
245.19064	45.0
246.19443	3.2
263.20233	1.9
271.17026	5.7
289.18063	100.0
290.18387	7.9
307.19153	55.6
308.19357	3.7
318.81058	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	1.6
59.01243	7.9
66.00356	1.4
71.01229	2.6
71.21147	2.8
71.21490	1.9
74.50418	1.5
80.27789	1.4
83.04889	2.5
85.02843	1.6
92.06397	1.3
97.06432	1.7
98.03600	2.6
99.08046	5.3
101.05966	1.7
109.02804	1.7
109.06455	3.4
123.04357	1.8
123.08029	3.1
124.97960	1.4
125.06030	1.6
125.09541	2.0
127.07545	22.4
132.32240	1.5
134.46555	1.4
137.09627	2.0
149.06302	1.5
149.09634	2.3
151.11211	8.9
155.10649	2.0
167.10725	2.7
177.12749	4.8
179.10677	3.7
191.14345	3.2
193.12271	2.3
205.12279	2.2
209.11752	1.8
223.13229	3.5
233.15482	2.3
245.19067	20.4
252.13611	2.2
261.18698	2.5
263.20117	3.0
267.12173	2.4
271.16895	1.6
289.18085	69.0
290.18408	6.3
307.19113	100.0
308.19461	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.3
59.01255	6.5
69.03305	1.4
69.27129	3.1
69.27556	3.8
70.76154	0.5
71.01244	3.0
71.04890	6.5
72.99178	1.2
73.02778	0.6
78.50377	0.6
80.02534	1.7
81.03339	2.4
83.04902	8.0
85.02822	1.2
88.51392	0.7
89.02277	0.6
89.26591	0.7
92.08820	0.7
95.04878	3.1
96.95867	2.2
97.02835	0.6
97.06442	1.6
98.03600	1.7
99.04307	0.7
99.08035	0.7
101.02341	1.0
106.04150	0.7
107.04892	0.9
107.10871	0.7
109.02836	1.1
109.06469	12.5
111.04393	5.6
111.08018	1.4
112.05182	1.2
121.06465	1.5
123.04395	0.8
123.08060	1.3
125.09637	0.9
127.07566	2.9
135.04405	0.8
135.07991	1.4
137.05989	0.8
137.09657	1.3
143.07024	1.0
143.10645	1.7
145.06480	2.1
147.02216	0.6
147.08107	0.8
148.08876	1.8
149.09610	2.1
150.10376	1.9
151.11176	2.8
161.04424	1.3
163.06197	0.6
163.11194	3.9
165.12769	7.5
167.10648	2.0
171.10178	1.0
175.11057	0.6
177.12749	2.1
178.73244	0.7
179.03365	0.9
179.10681	0.9
181.12241	0.9
185.11722	1.5
190.09952	0.7
191.14384	2.0
193.12273	0.7
195.13890	3.4
205.15932	17.5
206.16162	1.1
207.17580	0.7
233.15300	1.0
235.13356	3.8
235.20728	0.6
243.17511	1.4
245.19131	5.7
249.14931	0.6
251.16602	0.8
261.18588	19.8
262.18982	1.3
271.17020	1.6
273.15042	0.7
287.16473	1.6
289.18097	82.3
290.18448	6.2
307.10297	2.3
307.19150	100.0
308.19470	8.0
317.94769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95609	2.5
57.03329	6.8
58.12780	2.9
59.01244	15.9
61.98695	9.9
65.03832	62.1
71.01241	4.9
71.04889	39.5
71.57568	2.4
77.09820	2.5
77.93105	2.8
80.02526	3.1
85.02839	2.3
87.00740	2.6
93.03352	3.3
95.04898	4.4
96.95902	2.9
97.02873	2.7
97.06460	65.9
101.02334	4.3
109.06476	5.6
110.63884	2.4
119.08546	39.5
121.02817	3.5
121.05602	5.4
121.06478	100.0
122.06860	5.9
123.08043	5.1
125.09606	52.8
135.04413	3.7
135.08054	9.3
137.09618	13.5
161.04501	4.0
162.49660	2.3
167.14362	3.0
171.10188	11.4
179.03296	2.9
185.11739	86.7
186.12076	2.7
191.14320	3.5
209.11769	40.9
211.13333	38.4
223.13425	5.0
225.13799	3.0
235.13327	80.5
236.13690	5.8
238.34802	2.4
245.19025	3.7
249.14909	3.5
279.19669	14.3
289.18066	59.6
290.18469	2.9
307.10452	7.7
307.15646	5.3
307.19128	70.5
308.19235	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.5
59.01250	4.8
65.03840	9.5
69.03321	2.5
70.46544	3.0
71.01234	1.9
71.04899	5.1
79.05390	1.5
80.02544	2.4
81.03317	1.1
83.04900	5.9
93.03342	21.3
93.29443	0.8
95.04900	1.3
97.06475	14.8
99.08021	1.6
101.02297	1.1
105.06951	0.9
106.04123	3.5
107.04871	1.5
109.06457	2.0
111.04386	3.9
111.08054	1.1
117.06991	22.6
118.07301	0.9
118.18502	0.8
119.04935	4.7
119.08554	33.4
119.09416	2.0
120.05685	3.4
121.06474	15.9
123.08012	3.0
125.08727	1.3
125.09615	21.8
127.11236	1.8
133.06480	5.7
135.08052	100.0
136.08392	3.4
137.09605	3.5
138.06686	1.1
161.04503	1.1
163.11179	1.5
165.12747	0.8
167.14360	0.8
169.08626	0.9
171.10187	77.4
172.10555	2.0
185.11760	12.2
209.11771	14.3
211.13356	5.6
227.17892	1.0
231.13942	0.9
233.15349	3.3
235.13390	11.0
245.19116	3.2
249.14908	3.6
252.13672	2.1
261.18698	2.1
271.17053	2.5
279.19690	5.2
289.18097	67.1
290.18433	5.2
307.19147	35.1
308.19583	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01754	0.6
57.03328	0.6
58.00457	2.1
59.01250	43.0
67.01727	0.6
69.72630	3.6
71.01252	21.8
72.01585	0.5
72.99174	2.4
73.02813	2.1
83.01263	1.7
85.02828	5.7
85.99947	0.5
87.00755	1.3
89.02317	21.5
90.02693	0.5
95.01257	1.4
97.02829	1.2
98.19783	0.8
99.00710	0.6
99.08036	21.8
100.08367	0.6
101.02322	14.9
102.02730	0.5
108.39867	0.5
113.02335	7.7
119.03392	7.3
127.07533	2.3
129.09093	2.3
131.03372	0.7
135.04405	1.3
141.09113	2.1
143.03383	0.9
145.08612	66.0
146.08931	1.4
161.04520	0.9
175.45122	0.5
179.05534	1.0
181.07268	0.5
187.09694	1.6
243.56812	0.6
254.85452	0.6
307.13974	100.0
308.14383	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.9
59.01251	25.3
64.57501	1.0
68.99686	1.0
69.03325	100.0
70.03666	1.2
70.23800	3.9
71.01250	12.0
72.99178	3.2
76.72951	1.1
79.01784	1.1
80.06771	1.0
83.01264	1.8
85.02815	4.0
85.27081	1.0
87.00731	1.7
89.02319	9.8
94.85938	1.0
95.01254	3.3
96.95905	1.5
97.02245	0.9
97.02821	21.8
99.00155	1.9
99.00755	23.8
99.08018	10.5
101.02330	6.5
113.02350	4.0
119.03373	2.8
119.04906	1.6
121.02830	4.8
123.00761	1.3
127.07541	3.7
135.04489	1.3
136.03963	1.3
141.01871	6.1
141.09114	1.2
145.08609	32.5
168.02945	1.3
173.06093	1.0
182.04469	2.5
185.00826	34.1
187.07596	2.7
193.05023	1.0
202.06291	1.4
253.31250	1.2
263.12854	1.7
307.04700	3.4
307.14017	48.7
308.14478	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	306.0766
Annotation	Glutathione
Peak:m/z	Relative Intensity
58.02847	13.2
58.99469	1.0
59.01239	1.7
59.21618	0.8
66.03357	2.1
69.87627	4.7
70.02845	1.4
71.01233	1.8
72.00787	2.2
74.02346	27.9
81.04449	1.9
82.02853	3.9
84.00788	1.6
84.04420	1.5
85.02775	1.3
85.03915	0.9
86.02346	10.2
86.06012	1.5
86.98969	1.5
87.05514	10.5
88.03934	2.2
90.00068	3.9
97.03968	2.6
98.20526	1.1
99.05521	24.3
100.00290	1.1
101.07088	3.6
102.05505	3.4
106.18488	0.9
107.06021	1.5
109.03950	2.9
109.07611	0.9
111.05526	1.9
112.03930	2.6
113.03391	1.2
116.01640	1.2
120.01151	1.4
121.03955	1.2
123.05547	2.7
124.03902	1.7
125.03437	1.9
127.05049	4.4
128.03429	68.2
129.03799	1.8
131.04529	1.8
132.02933	5.2
133.02870	2.6
135.04411	7.7
135.05531	5.9
137.07118	2.0
139.04982	0.9
141.06592	8.3
143.04526	100.0
144.04932	1.7
145.06094	4.3
146.04483	8.8
153.06592	6.2
155.08182	1.5
160.00650	26.4
161.02409	1.1
166.09744	4.5
167.04559	6.2
167.08183	3.4
171.07629	1.0
173.41968	0.9
177.03305	8.2
178.02588	1.9
179.03348	4.9
179.04652	16.7
180.04826	1.0
181.06088	2.3
184.10866	2.4
185.05594	4.6
197.05614	3.3
198.08812	1.5
200.14285	0.9
210.08781	18.8
228.09865	1.7
242.07809	3.1
254.07780	22.5
255.08253	1.1
272.08893	29.4
273.09189	1.5
288.06638	6.3
306.07672	32.6
307.08133	2.7
322.80154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
54.51241	0.5
57.03303	1.7
59.01252	6.6
64.37224	0.6
69.03310	1.2
69.41624	6.3
71.04893	39.1
72.05213	0.9
74.35143	0.7
78.34638	0.6
80.02538	1.3
81.03318	3.2
83.04884	1.9
93.03316	2.1
94.04111	1.2
95.04901	18.2
96.05227	0.8
97.02844	0.7
97.06459	1.2
106.04132	2.3
107.04905	2.2
109.02838	1.5
109.06470	13.5
111.04428	1.9
119.04904	1.2
120.35539	0.7
121.06461	5.9
122.03619	2.3
123.04419	0.8
123.08050	1.5
127.07548	2.0
132.05688	1.2
135.04427	1.0
135.08052	4.3
136.05193	1.3
141.01578	0.9
147.04395	2.5
147.08052	3.7
149.05997	1.7
149.09561	0.8
150.06763	2.1
153.09102	0.8
161.06010	3.4
161.09624	1.7
162.06798	0.7
164.08322	1.4
165.09135	12.0
168.36526	0.6
170.10011	0.6
173.05885	0.6
173.09641	0.8
175.07635	0.8
179.14377	1.0
185.11713	2.1
189.12784	14.5
193.12099	0.8
203.14294	1.4
205.15900	8.3
214.02655	0.6
215.10660	0.7
231.13898	2.2
233.11798	6.4
243.17522	9.4
249.14911	11.2
250.15280	0.9
261.18570	2.4
263.16455	1.5
269.15448	2.9
287.16513	78.0
288.16867	7.3
289.14462	1.7
295.96512	0.7
305.17581	100.0
306.17905	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	304.2281
Annotation	Samandarine
Peak:m/z	Relative Intensity
50.14003	0.5
59.01257	2.4
67.18853	0.4
71.01254	0.9
71.57088	0.5
71.57446	0.6
74.99047	0.4
86.05985	40.0
87.06330	0.7
91.27837	0.4
130.04968	1.6
141.01556	1.3
160.74902	0.4
168.13853	0.8
171.79305	0.6
225.98422	0.5
242.46101	0.5
262.21732	1.6
304.22800	100.0
305.23175	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	305.1759
Annotation	Corrin
Peak:m/z	Relative Intensity
50.45005	0.9
53.40245	0.9
57.03320	1.3
59.01250	10.7
71.01251	2.5
71.04894	39.1
79.14238	0.9
81.03320	5.0
83.04895	2.7
93.03330	2.9
95.04900	18.7
97.02812	1.2
97.06472	1.3
106.04106	1.4
107.04896	2.1
108.02056	1.0
109.02807	1.7
109.06477	15.1
110.06738	1.0
111.04352	2.5
119.04861	2.3
121.06488	6.6
121.10096	1.1
122.03631	1.3
123.08032	1.4
127.07528	3.0
135.08034	3.7
141.01611	2.4
147.04385	1.5
147.08061	3.4
149.05998	2.2
149.09619	1.5
150.06737	2.0
153.09047	1.6
159.07997	1.2
161.05983	4.0
161.09602	1.7
162.91200	1.0
164.08328	1.0
165.09129	13.2
168.13821	1.7
169.14171	1.6
189.12810	13.5
190.13164	1.2
193.12302	1.1
201.16200	1.0
205.15944	9.6
206.16212	1.0
207.29855	1.1
215.10777	1.8
228.50505	1.1
231.13829	2.8
233.11792	8.5
243.17540	9.7
244.17683	1.0
249.14906	14.8
261.18567	2.9
263.16385	1.7
269.15338	1.8
287.16525	84.6
288.16891	7.8
289.14520	1.1
305.17578	100.0
306.17923	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
71.01251	13.0
71.58523	2.2
73.02813	9.4
83.01272	2.8
85.02837	3.2
89.02329	4.5
96.95897	1.3
101.02333	7.3
110.63740	1.2
113.02324	5.2
119.03368	1.2
141.02000	1.1
141.04086	2.5
151.03917	1.6
162.29710	1.2
166.02638	1.1
183.53807	1.4
303.21893	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	304.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08274	0.2
58.02850	47.9
59.01262	0.6
59.03181	0.3
63.99729	0.3
71.01228	0.4
90.80815	0.3
93.03345	0.3
98.20628	0.5
137.65472	0.2
142.90639	0.2
168.13857	100.0
169.14233	3.7
212.12862	5.8
213.13223	0.4
280.21960	0.2
304.19113	1.0
305.17502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
71.01244	15.5
71.58681	6.0
72.99175	24.3
75.00716	8.3
85.02766	4.6
86.50713	3.6
89.02308	28.6
94.81167	3.3
97.06477	12.6
99.00739	11.6
109.06505	3.7
111.07982	4.6
112.98656	4.3
117.01826	16.9
121.02772	4.1
121.06497	5.6
123.07932	4.6
124.01553	4.2
125.02293	8.4
125.05968	4.6
135.02890	9.1
136.96870	4.0
137.02376	4.7
139.07500	8.2
141.01765	6.3
141.03993	4.3
142.99741	44.3
149.05989	11.0
153.05466	9.5
154.61063	3.6
163.03915	4.8
167.07053	16.5
167.10706	5.6
173.00830	9.4
174.01601	9.4
181.08586	6.4
185.11734	22.4
193.05043	4.1
225.07544	14.8
243.47864	3.9
303.14413	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	303.0943
Annotation	Vicine
Peak:m/z	Relative Intensity
55.78386	0.5
56.81236	0.5
59.01242	1.1
59.23269	0.5
69.03332	1.2
69.14707	0.5
69.81532	2.8
69.81931	1.0
71.01250	1.6
73.02821	1.8
81.00821	2.0
83.83948	0.5
85.02818	2.3
87.00745	6.6
95.01214	0.6
97.00312	2.1
98.01097	2.1
99.01875	14.8
115.00273	0.7
119.28568	0.5
139.02554	0.8
140.03302	13.9
141.01869	2.6
141.04085	100.0
142.04445	1.3
175.02414	0.7
303.09512	19.2
304.09976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.03037	1.1
57.03321	17.9
59.01238	2.2
65.00196	3.8
65.81481	0.6
69.03326	0.8
70.98595	1.1
71.01263	0.6
81.03345	1.2
83.01260	8.3
85.02821	1.0
87.00728	1.0
93.03342	1.5
95.01310	0.7
97.02824	1.8
99.00751	0.7
107.01261	2.9
108.02099	0.6
109.02853	5.1
109.03526	0.9
111.00783	1.5
115.92513	0.5
120.92088	0.6
121.02856	2.4
122.03647	1.6
123.00777	0.8
123.04412	6.5
124.01551	2.9
125.02332	100.0
126.02668	2.6
133.02855	0.7
133.04996	0.7
133.81442	0.6
137.02336	14.0
139.03893	2.3
141.04099	0.7
145.02861	0.8
146.03618	0.8
147.04401	2.3
147.24420	0.6
149.02336	5.5
150.03111	8.5
151.00282	10.0
151.03906	10.4
152.01074	4.6
153.01857	8.2
154.02179	0.7
159.04405	0.8
161.02299	1.7
161.05991	1.2
164.04689	0.8
165.01802	0.8
165.05482	2.8
169.06387	0.6
171.04446	2.0
173.05989	1.9
174.03090	3.9
175.03925	18.3
175.05449	1.0
176.04259	0.8
177.01840	18.3
178.99770	10.6
181.01367	1.7
187.03937	1.2
187.07529	0.6
188.04701	1.7
189.05516	5.2
191.03368	0.8
193.04996	3.6
197.37273	0.6
198.03168	0.8
199.03931	8.6
201.01866	3.4
202.06300	0.7
213.05502	1.9
215.03496	0.8
216.04102	1.5
217.03082	0.8
217.05020	11.1
217.08368	0.7
218.05220	0.7
219.02957	0.7
231.06628	1.6
241.05017	8.4
241.09215	0.6
243.03053	1.5
244.07367	1.8
257.04538	1.3
259.06091	6.5
275.05569	6.4
285.04034	64.2
286.04471	3.6
303.05051	10.8
303.08789	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	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.10660	0.3
55.39820	0.3
56.45356	0.3
56.74439	0.3
57.10022	0.2
59.76199	0.3
60.97373	0.5
70.09712	1.6
74.98956	0.6
75.96066	0.3
101.79131	0.3
118.96129	0.5
134.99292	5.9
136.97194	2.4
141.08424	0.3
143.05254	0.7
159.08424	1.5
161.06302	7.5
173.38501	0.3
201.04057	0.6
203.05577	3.3
205.03496	1.0
215.05540	1.3
217.07149	85.6
218.07285	5.6
235.08076	0.5
261.06232	0.8
283.11960	0.6
283.15463	0.4
285.10147	0.7
285.13467	36.3
286.13589	3.5
301.16583	100.0
302.16785	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	301.1597
Annotation	2,4-Bis(1-phenylethyl)phenol
Peak:m/z	Relative Intensity
50.71945	0.5
53.63457	0.5
59.01238	0.5
70.23547	1.0
70.23943	1.0
77.87019	0.5
93.08706	0.5
107.01291	0.5
118.95911	0.5
123.00760	1.9
124.01568	0.7
138.03136	1.0
139.05841	0.8
151.00278	0.9
211.02161	0.5
217.07162	1.9
261.18231	0.5
267.68384	0.6
285.13416	1.2
286.13629	2.1
299.14359	0.8
300.99924	3.3
301.03549	1.2
301.15982	100.0
302.16354	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03261	0.2
51.43666	0.3
55.52151	0.2
58.47027	0.2
58.91439	0.3
59.01254	0.7
69.34759	1.9
69.35176	0.6
71.01263	0.3
83.01283	0.3
89.02325	0.5
91.03884	0.7
91.60017	0.2
97.06416	0.2
107.01283	0.3
109.02834	1.0
111.08060	0.3
117.27288	0.2
119.04884	0.2
121.02834	0.4
123.00759	0.7
130.12027	0.2
135.04402	3.8
137.02373	0.3
149.02318	0.7
149.17702	0.3
149.99452	0.3
151.00276	0.8
165.01810	0.6
165.12743	3.6
165.98967	0.5
183.02936	0.7
183.13814	100.0
184.14166	4.9
199.03844	0.3
209.11792	1.9
227.12823	5.1
241.05017	1.0
253.04904	0.3
271.02417	0.6
271.06082	0.7
283.02664	0.4
286.04803	1.4
286.08124	0.5
301.00211	0.4
301.03500	1.7
301.07156	2.5
301.10837	0.7
301.16547	9.5
301.19754	0.5
302.16931	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33450	0.5
59.01213	1.6
70.72334	1.7
81.91930	0.5
85.15807	0.6
86.17753	0.5
86.45692	0.6
95.01216	2.1
95.92494	0.5
97.40337	0.5
107.89323	0.6
118.06449	2.6
121.02791	0.8
122.05881	0.7
123.00724	1.2
137.02306	0.8
138.03094	0.7
147.03107	2.0
147.04224	0.7
148.03906	1.6
160.03928	12.8
161.02339	2.2
161.04726	73.1
162.01878	0.9
162.05528	15.7
163.02632	0.8
164.03435	7.3
175.02663	7.3
176.03358	1.7
185.05933	1.0
187.03967	0.7
191.05519	0.8
192.02939	13.1
193.03722	71.6
194.04179	3.3
195.04233	0.7
206.04494	0.7
208.02426	1.7
213.05431	2.1
215.03531	0.7
221.75391	0.5
225.02643	1.0
240.10306	1.5
253.06099	0.7
254.06577	0.6
257.04480	1.4
271.10858	29.8
272.11234	1.7
283.10864	100.0
284.11185	6.8
301.03598	1.3
301.11923	26.1
302.12241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83105	0.2
51.08513	0.2
54.30159	0.2
59.01257	0.5
63.02277	0.4
65.00197	0.5
65.03832	7.9
65.09916	0.2
67.01762	3.2
71.59502	0.4
83.01283	0.3
87.29227	0.2
91.01762	0.2
91.27431	0.2
93.03316	0.3
95.01237	0.6
96.95872	0.3
107.01273	0.6
108.02027	0.3
109.02835	100.0
110.03178	2.5
111.00752	0.5
112.49628	0.2
114.86728	0.2
119.09831	0.2
121.02824	1.0
121.54736	0.2
123.00764	0.8
123.04310	0.2
124.01556	0.8
125.02328	0.4
133.02892	0.3
135.00781	0.3
135.04433	0.4
136.01556	0.6
137.02325	0.8
138.03116	0.5
139.03912	0.3
145.02808	0.3
147.04402	0.3
148.01558	2.5
149.02357	1.5
150.03165	1.1
151.00298	0.8
159.04472	0.4
161.02371	1.7
163.00264	0.3
164.01068	1.4
165.01811	1.7
165.12773	0.3
176.01071	16.5
177.01755	1.1
183.04462	0.4
183.13829	2.0
185.02361	0.2
187.03833	0.3
191.03429	21.7
192.03812	1.0
199.03880	0.4
211.03957	0.5
212.04453	0.2
213.05463	0.3
214.02571	0.4
215.03394	0.4
227.03452	0.9
227.13008	0.3
229.04945	0.9
230.05815	0.2
231.02940	0.3
240.04301	0.6
241.05028	0.6
243.03011	0.4
244.03462	0.3
255.02950	2.2
256.03256	0.3
257.04562	2.2
258.01724	0.2
258.05215	0.9
268.03714	0.8
269.00742	0.2
269.04559	0.4
271.02545	0.6
271.06387	0.2
272.03174	0.2
273.04266	0.5
273.07648	0.8
283.02429	1.8
283.06064	1.2
286.04684	2.8
300.99820	0.5
301.03467	7.7
301.07138	12.7
301.10754	0.6
301.16644	0.5
301.20325	0.8
302.03925	0.7
302.07544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.4
63.02264	0.6
65.00179	1.3
81.51522	0.2
83.01262	0.7
83.67178	0.2
83.67695	0.3
90.78151	0.3
91.01750	0.6
93.03356	0.7
94.64601	0.2
95.01247	0.5
98.19639	0.5
103.08821	0.2
106.00513	0.5
107.01285	1.8
107.04926	0.5
108.02068	0.3
109.02830	0.4
114.98151	0.2
117.03338	0.3
121.02866	1.8
123.00764	0.7
124.01558	0.3
133.02873	0.4
134.03621	2.7
135.04408	100.0
136.04747	2.9
137.02312	0.4
149.02328	0.3
149.99480	8.9
151.00272	4.1
161.02359	0.6
164.01051	0.4
165.01840	9.2
165.12740	1.0
168.00592	0.4
169.01318	1.1
183.02911	14.9
183.13832	3.9
184.03259	0.8
184.68631	0.2
195.99893	0.2
209.11803	0.4
227.12863	1.1
229.74475	0.3
240.04153	0.2
268.03802	1.1
269.03897	0.3
271.02579	0.4
283.06018	2.6
286.04843	3.5
301.03824	1.0
301.07144	28.7
301.16525	1.0
301.20050	0.4
302.07480	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
59.01242	2.7
63.02266	0.5
65.00185	1.1
65.03516	0.5
65.03830	7.8
66.51666	0.3
67.01751	3.4
69.39266	3.3
71.04857	0.3
83.01254	1.0
85.02824	0.5
93.03330	1.6
95.01275	0.7
107.01281	1.6
108.02048	1.3
108.05202	0.3
109.02830	100.0
109.58925	0.4
110.03154	2.6
111.00741	0.4
111.04379	0.7
111.07978	0.5
116.69590	0.3
121.02827	1.7
123.00764	1.8
123.04363	0.4
124.01549	1.4
133.02858	1.9
134.03615	0.6
135.04402	21.1
136.01558	1.1
136.04765	0.7
137.02319	1.7
138.03149	0.8
139.03888	1.2
147.00745	0.4
147.04463	0.5
148.01544	1.8
148.22707	0.4
149.02325	2.4
150.03154	0.6
151.00269	4.0
155.03395	0.8
159.04483	0.5
161.02336	5.9
163.00266	0.5
163.03897	0.4
164.01079	1.6
165.01840	1.2
165.12720	0.3
167.03467	0.4
169.01390	0.4
171.04395	0.4
173.04440	1.5
175.99525	0.7
176.01056	11.1
176.03931	3.1
177.01840	2.6
178.40858	0.5
178.99814	0.5
179.03383	4.7
181.15205	0.4
183.13765	0.9
187.03922	0.6
191.03418	13.9
192.03868	0.4
201.05602	0.6
207.10274	0.5
211.03893	0.7
211.13368	0.8
213.05521	0.6
214.02596	0.5
214.05995	0.5
215.03459	0.9
218.81512	0.4
223.13339	0.7
227.03439	1.4
228.04108	0.5
229.05002	0.8
233.04472	0.4
239.03320	0.5
240.04277	0.8
241.04855	0.5
243.02962	0.9
255.02969	3.3
256.03427	0.4
257.04517	2.6
258.05157	0.5
268.03790	0.5
269.04626	0.5
271.02548	0.7
271.05676	0.4
271.08875	0.5
273.03864	0.5
273.07660	0.5
283.02435	2.4
283.05792	0.7
284.03049	0.5
285.04041	1.2
286.04755	2.6
286.07700	0.5
294.90363	0.4
300.99841	1.3
301.03494	15.1
301.07156	32.1
301.10129	1.1
301.16818	0.7
301.20178	2.8
302.03833	1.2
302.07507	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	301.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
63.02257	1.7
65.00190	1.3
65.03828	0.9
67.01762	0.8
68.94772	0.5
71.59637	0.8
78.95771	1.0
89.03873	0.4
90.35172	0.5
91.05407	1.3
95.04895	1.0
97.02824	1.3
105.03702	0.4
107.01286	0.8
108.02067	0.9
109.02836	7.2
112.54362	0.4
121.02832	3.5
123.00787	2.8
123.04395	1.8
124.01556	78.9
125.01875	1.6
133.02859	13.0
135.04416	5.5
136.01544	1.5
138.03181	2.3
138.05505	0.7
139.03912	99.5
140.04280	3.8
144.73807	0.5
149.02356	0.7
151.00320	0.5
152.00975	0.6
154.67307	0.5
161.02354	100.0
162.02687	4.5
164.01086	2.4
165.01822	1.8
177.01874	0.9
179.03435	3.6
183.13863	0.8
191.03448	0.6
196.00061	1.3
217.90485	0.5
227.12914	0.7
240.04253	0.6
241.05118	0.6
255.45729	0.5
269.04486	0.7
270.24313	0.5
271.02356	0.8
285.03589	0.4
286.04272	2.3
286.08347	1.0
301.00128	2.4
301.03674	0.9
301.07187	22.6
301.10849	1.7
301.20218	0.7
302.07394	1.9
306.60635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.6
58.53883	0.5
59.01233	1.1
63.02251	0.6
63.09496	0.5
65.00188	6.0
80.02552	1.9
83.01250	4.9
107.01273	12.3
108.02048	13.0
109.02825	1.0
121.02820	0.8
123.00792	2.4
124.01579	1.3
125.02314	6.2
133.02811	0.8
134.02634	0.9
134.03618	11.1
135.04457	3.1
136.01552	10.6
138.03120	1.0
139.00317	0.6
149.05978	1.5
151.00262	22.5
152.00890	0.6
158.03629	3.0
160.01546	0.8
164.01064	18.0
165.01628	0.9
169.01390	0.5
173.02354	0.8
173.05956	1.0
174.03134	6.2
175.03860	0.7
176.04663	0.8
177.01892	1.1
183.13808	1.8
185.02267	0.9
185.05937	0.6
187.03902	1.3
188.04601	0.8
191.07074	1.2
196.00055	16.5
197.00502	0.6
198.03108	1.1
198.39076	0.5
199.03922	6.9
200.01024	0.7
200.04706	2.6
201.01868	5.7
202.02524	0.8
204.03702	0.5
213.05431	1.3
214.06346	1.8
215.03450	2.9
215.06888	0.6
216.04167	1.5
217.05016	1.2
224.04703	0.6
225.05588	0.7
227.03406	2.1
229.14951	0.5
230.05746	0.7
240.04269	1.5
241.04991	2.7
242.05817	11.0
243.06174	0.8
257.08121	3.9
258.05231	2.2
268.03745	2.0
271.05914	0.9
283.06015	1.9
285.04062	3.2
286.04828	11.1
286.08334	1.1
287.05167	0.7
300.99875	2.3
301.07144	100.0
301.20258	2.7
302.07477	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	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71242	0.2
53.43670	0.2
59.01260	1.9
63.13982	0.2
65.00224	0.2
72.14097	0.2
73.09245	0.2
80.02558	1.6
83.04876	0.2
95.01305	0.2
98.19792	0.7
107.01265	4.4
108.02056	10.6
109.02841	0.8
109.99978	0.3
111.00726	0.3
121.02854	1.4
123.00780	2.6
124.01533	0.6
135.04402	1.8
136.01567	13.3
137.01947	0.4
138.03133	0.7
139.03891	0.5
149.02399	0.6
150.03137	0.3
151.00195	0.5
151.03870	0.4
153.01833	0.4
163.00279	0.3
164.01068	24.6
165.01454	1.0
177.01802	0.4
179.03421	100.0
180.03755	4.4
183.13869	0.3
191.03549	0.3
196.00069	17.1
197.00415	0.7
209.11815	0.2
223.16966	0.3
225.05461	0.5
226.06224	0.6
227.12878	0.9
228.81380	0.2
241.05031	0.3
243.03108	0.3
269.04550	0.8
271.02469	0.6
271.05554	0.8
283.06189	0.6
286.04770	2.1
286.08014	0.6
300.99866	0.8
301.03461	0.9
301.07147	6.3
301.10815	1.0
301.16660	0.7
301.20248	0.9
302.07532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24569	0.4
54.39723	0.4
57.03309	0.8
59.01250	0.9
63.02285	1.0
64.34540	0.4
65.00190	6.1
69.03303	0.5
80.02543	2.7
83.01252	4.9
89.36994	0.4
92.25948	0.4
93.03340	0.5
95.01269	1.0
96.95865	0.4
107.01266	12.6
108.02048	13.7
109.02830	1.7
121.02810	0.7
123.00751	3.8
124.01527	1.7
125.02335	6.4
133.02852	0.9
134.03616	11.5
135.04405	4.5
136.01544	11.9
137.02260	0.5
138.03139	0.9
139.03868	0.6
148.01630	0.6
149.02261	0.6
149.05954	2.2
151.00258	22.0
152.00876	1.3
158.03619	2.1
161.02235	0.6
164.01060	17.9
165.01837	2.2
172.05231	0.9
173.02315	0.8
173.06027	1.1
174.03136	6.7
175.03831	1.3
176.04619	0.7
177.01816	1.5
183.13829	1.5
185.02322	1.1
185.05899	0.4
187.03935	1.3
188.04697	1.3
196.00064	19.3
197.00261	0.6
198.03154	0.9
199.03923	6.7
200.04753	3.2
201.01855	5.9
202.02539	0.9
211.03915	0.5
213.05460	1.9
214.06279	2.8
215.03377	3.0
215.06917	0.7
216.04100	1.1
217.05031	1.2
217.07143	0.6
224.04742	0.9
225.05548	0.6
227.03427	2.9
227.12883	0.6
230.05849	0.8
233.08177	0.9
240.04271	2.4
241.04942	2.9
242.05782	9.7
243.02885	1.0
243.06148	0.6
255.03085	0.6
256.03683	1.2
257.04559	0.8
257.08145	4.9
258.05316	3.0
268.03741	1.5
269.04407	0.5
271.02704	0.5
271.06104	1.8
273.07666	0.9
283.06125	3.4
285.04080	3.7
286.04761	13.0
286.08423	1.2
287.05383	0.7
301.07147	100.0
301.20273	1.6
302.07538	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	301.0356
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.51701	0.2
52.85467	0.2
57.88935	0.2
59.01232	0.5
63.02256	1.2
65.00187	4.0
66.84505	0.2
69.53757	0.6
69.54162	1.4
72.79642	0.2
77.03819	0.4
81.03312	0.4
83.01251	2.1
83.04884	0.8
84.40302	0.2
93.03350	1.0
95.01266	0.5
95.04853	0.4
98.19763	0.3
105.03333	1.3
107.01273	6.1
109.02833	1.7
111.00749	0.6
117.03316	0.3
121.02836	3.4
123.00798	1.3
124.01579	0.5
125.02317	0.8
133.02881	0.4
134.03656	0.9
135.04410	22.8
136.04768	0.6
137.02306	0.4
139.00266	0.6
143.04887	0.3
145.02841	0.4
147.04408	0.5
148.01578	0.6
149.02344	33.0
149.99493	2.0
150.02675	1.0
151.00269	10.9
152.00629	0.3
159.04424	0.9
161.02330	0.6
163.00296	0.3
163.11192	0.5
164.01083	1.4
165.01833	0.8
169.01280	0.8
171.04332	0.4
173.02304	0.3
173.05963	0.4
175.03868	0.4
177.01825	0.6
178.99780	0.8
179.03407	1.3
183.02904	3.5
183.04468	0.9
183.13866	0.4
185.02310	0.4
187.03889	1.0
191.03441	3.8
196.00015	0.6
199.04002	0.5
199.13411	0.3
201.01868	0.4
201.05510	0.6
203.03305	0.3
209.11771	8.7
209.13773	0.5
211.03989	1.2
212.45863	0.2
213.05415	0.4
214.02544	0.4
215.03473	2.5
217.01250	0.6
217.04997	0.4
227.03545	1.8
227.12805	1.7
229.01239	0.4
229.05049	0.8
231.02841	0.4
233.04543	1.3
239.03459	1.9
240.04300	0.4
242.02289	0.3
255.02953	2.1
256.03464	0.6
257.04556	0.9
257.12912	0.7
259.02441	0.8
268.03790	0.6
271.02399	0.4
272.02872	0.4
273.03958	0.6
283.02463	0.9
283.06024	0.8
286.04736	1.4
300.02591	0.5
301.03528	100.0
301.06943	6.0
302.03854	7.6
302.06946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0352
Annotation	Isoetin
Peak:m/z	Relative Intensity
59.01245	0.8
61.55171	0.2
63.02259	1.2
65.00191	3.1
65.03815	0.3
67.01736	0.6
68.99677	0.5
71.01206	0.2
71.59363	0.3
77.03824	0.5
78.59767	0.2
79.01788	0.3
81.03352	0.2
83.01244	1.9
89.03821	0.2
91.01763	0.3
93.03329	1.8
95.01229	1.4
99.00745	0.3
105.03338	0.5
105.56384	0.2
107.01267	4.2
107.01955	0.4
108.02049	0.4
108.04402	0.2
108.99207	0.2
109.02827	4.4
109.99940	0.5
111.00757	1.7
117.03327	0.5
119.01261	1.4
119.04886	0.4
120.52458	0.2
121.02840	2.8
122.99879	0.3
123.00739	2.0
124.01553	0.3
124.07664	0.2
124.98681	0.2
125.02322	1.7
132.01988	0.3
133.02843	15.1
134.03198	0.6
135.00761	0.6
135.04405	3.6
136.01555	0.3
136.07547	0.6
136.98706	0.8
137.02336	6.2
138.02789	0.3
139.00264	1.7
139.03899	0.5
143.04903	0.6
145.02818	0.6
145.06453	0.3
147.00780	2.1
147.04381	0.8
148.01524	0.6
149.02342	12.5
150.02658	0.6
151.00264	8.2
151.03906	0.3
152.00679	0.3
155.04912	0.4
157.06476	0.2
159.04407	1.0
161.02338	0.9
161.05939	0.3
163.00252	1.7
163.03935	0.2
164.01067	0.4
164.98204	1.2
165.01839	8.4
165.98923	0.4
166.02164	0.4
166.99741	1.5
167.04915	0.6
169.01324	0.5
169.02762	0.2
171.04428	0.9
173.02420	0.5
173.05956	0.5
174.03166	0.2
175.00314	0.4
175.03926	1.4
176.01041	0.6
177.01804	1.8
178.99811	0.5
182.03642	0.3
183.04384	1.4
183.13788	0.7
184.04980	0.2
185.02470	0.4
185.05956	1.1
187.03911	1.7
188.04630	0.3
189.01852	0.9
189.05478	0.7
190.99759	0.9
191.03465	1.1
191.97856	0.2
192.00562	2.4
193.01337	1.2
198.03186	0.4
199.03886	0.7
200.04678	0.3
201.01895	1.4
201.05556	1.0
203.03362	0.5
211.03958	2.2
211.13316	0.5
213.01878	0.3
213.05475	0.9
214.02628	0.7
215.03474	2.5
217.04933	0.5
226.02606	0.2
227.03436	3.1
227.12810	0.4
228.04094	0.6
229.01431	0.2
229.05028	2.5
230.05576	0.3
231.02933	0.5
233.04442	0.9
239.03506	1.5
240.04129	0.4
243.03040	0.5
244.03439	0.2
245.04500	1.1
255.02966	8.8
256.03589	0.7
257.04538	6.6
257.12845	1.2
259.02478	0.7
266.02206	0.2
268.03754	0.2
271.02502	0.3
272.02982	0.4
273.04068	2.5
283.02472	11.0
283.15521	0.2
284.03043	1.9
285.03891	0.3
286.04828	0.6
301.03494	100.0
302.03873	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	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00224	0.5
50.00507	0.2
57.41329	0.2
57.67750	0.2
59.01248	1.7
68.01278	2.7
70.81960	0.2
71.01247	0.9
71.58012	0.3
74.02303	0.3
88.03909	1.8
89.02317	0.4
94.06511	0.4
95.04897	0.3
96.04408	0.4
101.02315	0.4
103.08444	0.2
110.02351	0.4
110.05984	0.4
115.00228	0.7
122.02342	0.7
122.06036	0.4
123.03144	6.6
123.04424	0.5
124.03950	0.5
124.07551	1.0
130.08623	0.4
132.02910	3.3
136.07596	0.9
137.04684	0.9
138.05499	100.0
139.04010	0.2
139.05855	3.1
149.02356	0.4
150.05563	0.3
152.03404	0.5
152.07104	1.6
166.05098	0.3
166.08675	0.5
167.05772	2.1
168.06528	0.7
180.06573	6.0
210.07637	0.6
261.51547	0.3
300.07431	0.6
300.10852	10.5
300.19177	0.3
301.11133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01218	0.9
68.01293	0.7
69.81487	1.9
71.01218	0.4
76.94611	0.5
83.06578	0.5
93.03333	1.6
94.03680	2.2
98.20533	0.8
114.34136	0.4
119.44754	0.4
122.02331	1.0
123.00779	0.6
123.03149	12.6
137.02338	2.6
137.04729	1.4
138.02681	2.1
138.05499	100.0
139.05809	2.7
152.07077	0.8
165.04242	0.9
180.06546	1.7
243.03677	0.5
251.38780	0.5
300.10895	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	299.2589
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01249	7.0
65.22758	0.4
65.59777	0.4
88.40113	0.4
88.51290	0.4
138.05531	4.7
174.99178	1.5
181.95100	0.6
216.40414	0.4
217.00241	6.1
217.90347	0.4
239.18315	0.5
253.25351	3.7
256.03802	0.7
274.34479	0.5
281.24741	1.4
284.03265	2.9
297.24188	0.8
298.73828	0.5
299.05502	1.6
299.25888	100.0
300.26239	7.3
307.73761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2014
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
58.92644	0.2
59.01245	2.3
62.66913	0.2
62.69921	0.2
65.12315	0.2
77.58932	0.2
89.65873	0.2
93.03316	0.2
98.20574	0.5
137.02245	0.3
138.05511	1.4
168.00099	0.2
174.99213	0.5
217.00229	2.7
284.03189	0.9
284.17770	0.3
299.05469	0.9
299.20129	100.0
300.20477	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	299.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00974	0.9
59.01249	7.3
71.06212	1.3
77.21968	0.6
94.00565	0.5
95.01255	2.6
96.59783	0.5
108.02034	0.7
123.00768	4.4
133.02861	3.3
137.02319	0.7
138.05487	0.9
145.02863	3.3
148.01534	0.7
158.03534	0.5
159.04404	2.0
168.46611	0.6
169.06554	0.9
171.04388	1.5
173.02333	1.8
174.99179	2.1
183.04427	1.5
184.05174	1.7
185.05952	1.6
195.04391	0.9
197.06013	2.1
199.03912	2.3
200.04770	1.0
201.05482	2.1
211.03946	1.2
212.04701	2.4
213.05507	5.2
217.00238	7.5
223.03836	0.7
224.04637	0.6
225.05557	3.2
225.11250	0.6
226.02734	0.6
227.03436	7.6
228.04210	3.9
239.03458	1.1
240.04088	1.9
241.05014	17.4
242.05426	1.4
251.03511	1.5
254.02228	0.9
255.03024	2.7
256.03732	55.5
257.04053	3.5
266.02087	0.8
269.04526	100.0
270.04904	6.2
271.06079	18.3
272.06482	1.1
284.03299	11.2
284.06876	39.6
285.03876	0.9
285.07181	3.1
299.05569	47.4
299.09235	46.2
300.05884	4.2
300.09604	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	299.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82892	0.5
59.01250	13.7
63.61251	0.5
64.45449	0.4
69.10170	0.4
72.15565	0.4
91.01749	1.1
95.01275	0.7
95.84396	0.4
97.02828	0.5
98.19743	1.1
108.02076	0.5
112.28792	0.5
121.02837	0.8
123.00764	1.3
133.02859	4.1
134.03667	0.5
135.00726	0.9
137.02351	0.9
138.05504	1.7
143.04817	0.7
145.02850	0.7
153.01822	0.9
157.02873	0.9
169.06499	1.3
171.04434	1.4
173.06021	0.4
174.99200	4.1
179.04921	0.5
182.03662	0.8
183.04347	0.9
185.06030	2.0
195.04469	1.4
196.05203	0.5
197.06056	2.5
198.03157	1.5
199.03928	3.1
201.05540	2.5
213.02002	0.5
213.05515	5.7
217.00255	13.2
223.03938	1.4
225.05530	5.8
225.11346	1.6
226.02573	1.2
227.03389	2.0
238.06119	0.6
240.04276	0.6
241.01247	1.9
241.05016	34.5
242.05379	2.2
251.03375	1.1
254.02228	3.3
255.02832	0.6
256.03745	1.7
266.05905	0.6
267.02917	0.7
268.03629	0.6
269.04541	100.0
270.04886	8.0
271.05951	0.6
281.13004	0.6
284.03323	10.7
284.06900	53.6
285.03842	1.4
285.07202	4.6
299.02103	1.5
299.05615	11.0
299.09250	48.1
299.18524	1.1
299.25836	1.3
300.05927	1.1
300.09604	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	299.077
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.19926	0.3
59.01216	0.3
61.66093	0.3
65.03814	0.4
69.57550	1.3
69.57971	0.8
71.01255	2.3
73.02790	0.3
75.80010	0.3
85.02809	1.5
93.03328	62.5
94.03668	1.8
101.02325	1.1
113.02322	0.5
137.02333	100.0
138.02686	3.3
138.05507	2.6
175.70216	0.3
217.86510	0.3
240.13014	0.4
299.07773	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.92859	0.5
55.93344	0.4
57.75687	0.5
59.01242	1.0
71.01258	2.5
71.06772	1.2
73.02798	0.6
79.22445	0.4
79.83592	0.5
85.02825	1.4
93.03330	76.3
94.03658	1.2
101.02319	0.7
113.02320	0.8
137.02335	100.0
138.02663	3.2
138.05493	0.8
142.22298	0.5
176.37410	0.5
217.06082	0.5
219.31366	0.5
299.26172	0.7
315.59390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12050	0.2
56.44518	0.2
59.01228	0.4
65.03786	0.2
67.46080	0.2
69.79579	0.2
71.01251	2.0
71.06067	0.4
73.02814	0.6
85.02813	1.0
93.03330	51.5
94.03658	1.2
95.01276	0.3
101.02323	1.0
108.02040	0.6
113.02319	1.0
116.06454	0.2
137.02335	100.0
138.02657	3.4
138.04453	0.4
138.05498	5.5
161.04521	0.5
299.07703	1.1
300.10837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24508	0.3
59.01239	0.8
63.02269	0.5
70.33268	0.3
85.02856	0.3
91.01729	0.8
107.01287	0.6
135.00764	1.6
137.02296	0.4
138.05466	0.4
148.01559	4.8
150.03137	0.8
151.00250	1.2
153.01833	0.5
158.03633	0.6
164.82408	0.3
167.04926	0.3
170.03520	0.3
171.04536	0.4
176.01057	1.5
177.01704	0.4
178.06540	0.3
183.04401	1.3
184.05190	0.5
187.03799	0.5
193.94574	0.4
195.04460	0.8
196.05135	0.3
199.03909	1.4
200.04741	2.5
210.18938	0.3
211.03909	4.0
212.04724	2.2
213.01878	0.4
214.02708	0.5
216.04251	0.4
217.00241	0.8
223.03954	1.1
227.03415	9.1
228.04086	1.7
239.03432	3.0
240.04126	1.3
242.02191	0.5
245.99768	0.3
255.02959	7.5
255.05482	0.6
256.03659	3.8
267.03104	1.6
271.02509	0.5
283.02438	6.1
284.03238	100.0
285.03552	5.8
299.05585	63.9
299.18692	0.5
300.05923	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	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93967	0.2
56.16310	0.1
59.01238	0.4
63.02264	1.1
65.00206	0.7
67.26183	0.2
83.01238	0.9
98.19833	0.4
103.93534	0.2
104.02573	0.2
107.01266	2.1
120.87297	0.2
124.01529	0.2
125.02293	0.4
132.02025	0.8
133.02826	0.5
134.03650	0.8
134.80798	0.1
138.05475	0.2
148.01553	0.3
149.02351	0.3
149.99504	0.3
151.00270	3.0
158.03558	0.3
159.00786	0.2
169.01344	0.4
174.03110	0.3
179.30917	0.2
183.04382	0.6
185.02460	0.2
187.03954	0.5
187.42451	0.2
188.04770	0.5
199.03894	0.8
200.04700	0.6
201.54655	0.2
211.03897	0.8
212.04662	0.4
217.00230	0.4
227.03406	3.1
228.04135	0.5
239.03439	0.7
240.04158	0.2
243.02945	0.2
255.02924	2.1
256.03729	28.0
257.04074	1.7
267.03149	0.3
283.02487	1.1
284.03241	100.0
285.03592	6.5
299.05585	73.6
300.05920	4.9
300.08490	0.1
321.10440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02245	1.2
65.00179	0.5
69.42700	2.7
72.85065	0.4
78.68340	0.3
83.01233	1.0
83.36764	0.2
94.70509	0.3
107.01279	2.1
132.02061	0.5
133.02853	0.4
134.03622	0.6
148.01559	0.4
149.02271	0.3
151.00253	3.1
169.01399	0.5
183.04437	0.5
184.05002	0.3
184.74803	0.3
187.03987	0.6
188.04755	0.4
199.04007	0.5
200.04660	0.6
203.50410	0.3
211.03957	1.1
212.04626	0.5
227.03441	2.6
228.04149	0.5
239.03493	0.4
250.74104	0.4
255.02983	1.5
256.03741	17.5
257.04108	0.8
278.95303	0.3
283.02408	0.7
284.03244	100.0
285.03589	6.4
299.05588	77.2
300.05933	5.0
324.23270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01311	3.6
59.28328	0.3
59.37951	0.3
65.00259	0.5
85.02856	0.3
93.03399	0.4
95.01341	0.8
97.26747	0.3
101.98251	0.3
107.01289	0.4
109.02908	0.6
117.96387	0.3
121.80435	0.3
123.00753	1.5
133.02969	1.0
135.00844	0.9
137.02385	0.8
138.05588	1.2
141.09201	0.5
143.07056	0.5
146.67432	0.3
151.00305	0.8
157.02963	0.5
158.03665	0.5
159.04486	1.0
161.02499	0.4
167.03477	0.3
171.04366	0.6
172.05260	0.6
175.04033	0.4
183.04453	2.3
184.05257	0.3
185.41942	0.3
187.03960	0.9
199.03920	3.1
200.04727	1.6
201.01936	1.0
210.03185	0.8
211.03926	4.8
211.05885	0.5
212.04736	1.4
213.01907	0.5
215.03436	0.5
225.11229	0.6
226.02663	0.4
227.03438	12.8
228.04108	1.9
238.02654	1.8
239.03369	2.2
240.04233	1.2
241.05121	0.3
243.02957	0.9
255.00298	0.4
255.02937	6.0
256.03729	100.0
257.04062	6.0
269.04538	0.8
271.02481	5.0
271.06088	10.0
272.06439	0.7
283.02451	2.7
284.03241	47.2
285.03680	3.2
299.01956	8.3
299.05518	49.2
299.18604	1.9
299.25607	0.8
300.02521	1.4
300.05887	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	299.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.2
69.26128	5.7
93.03374	0.8
98.19682	0.7
103.56644	0.6
111.00783	0.6
114.70409	0.5
121.02834	0.6
132.17102	0.5
137.02307	0.7
138.05563	1.5
147.00822	0.5
148.01546	10.8
158.03531	0.5
168.33392	0.6
176.01041	3.3
183.04404	1.3
195.04416	1.2
199.04018	1.9
200.04738	2.3
211.03902	6.7
212.04741	1.8
225.11266	0.8
227.03429	7.8
228.04207	2.8
239.03426	11.0
240.04222	17.3
241.04778	1.3
243.02957	0.7
255.02922	10.9
255.05479	0.9
256.03683	5.8
257.04227	0.7
267.02942	5.6
271.02499	2.2
283.02481	20.6
283.05606	1.1
284.03244	100.0
285.03616	5.9
299.05582	91.4
299.18640	1.3
300.02762	1.0
300.05875	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	299.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.8
70.70624	1.3
79.79620	0.6
81.43769	0.4
86.02448	0.5
90.84319	0.5
91.01752	0.9
106.10579	0.5
107.01276	0.8
108.01995	0.6
135.00748	1.3
148.01584	5.1
151.00273	1.2
158.03580	1.0
172.09497	0.6
176.01041	2.2
178.10368	0.5
183.04353	1.3
184.05054	0.5
185.27144	0.6
191.03423	0.6
195.04367	0.9
199.03896	1.4
200.04662	1.7
205.76074	0.5
211.03926	3.0
212.04776	2.8
214.02579	0.6
227.03423	8.4
228.04074	1.9
239.03410	3.0
240.04237	1.5
255.02977	6.6
256.03662	3.8
267.02982	1.1
269.04526	1.3
283.02493	6.3
284.03256	88.7
285.03580	4.8
299.05600	100.0
300.05884	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	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14143	0.3
59.01255	4.2
63.02271	0.8
65.00198	34.1
66.00536	0.7
68.99712	0.5
69.78538	2.4
82.37096	0.4
87.54086	0.3
89.00208	9.0
89.03854	0.8
91.01781	5.3
93.03341	1.1
93.63731	0.3
94.00509	0.4
97.02831	22.0
98.03207	0.5
98.20538	0.4
121.02854	8.1
123.04416	0.5
128.80069	0.4
133.02855	6.0
134.03264	0.6
137.54927	0.4
138.05460	0.6
139.03952	0.4
145.02899	0.5
149.99515	9.4
157.02846	0.5
163.00311	0.7
163.31729	0.4
165.01860	73.9
166.02228	2.3
174.99210	1.2
175.03970	0.6
183.02937	1.8
183.04437	0.7
198.03128	0.4
199.03989	1.6
201.01834	2.2
211.03938	1.5
212.04742	4.7
213.05394	0.7
214.02698	3.2
216.04271	0.6
217.00229	4.4
223.03986	0.8
227.03551	1.0
228.04208	0.4
229.05051	4.0
231.06480	0.6
239.03552	1.5
240.04262	4.3
241.04692	0.4
242.02353	0.8
242.04890	0.9
243.06534	0.7
255.02893	1.7
255.06635	1.6
256.03735	4.0
257.04407	1.2
269.04538	0.5
271.02588	0.6
271.05954	3.1
273.26563	0.4
283.02493	6.6
284.03256	12.1
284.06546	0.7
285.03729	0.6
299.05606	100.0
300.05963	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.056
Annotation	Koparin
Peak:m/z	Relative Intensity
52.71991	0.4
59.01166	2.8
69.29845	3.7
89.65080	0.3
95.01179	1.4
98.20554	0.8
108.01988	0.6
108.40300	0.3
119.24210	0.4
120.01994	0.5
123.00703	1.0
133.02776	0.7
138.05415	0.6
145.02855	1.6
153.72081	0.3
158.03506	0.7
159.04407	2.5
169.06496	0.6
170.03583	0.9
172.05132	0.6
173.02370	2.5
174.99103	0.6
182.03682	0.4
183.04492	2.3
184.05212	2.3
185.02452	0.5
187.03842	0.6
188.04630	0.8
197.05980	0.5
199.03943	2.6
200.04599	1.2
200.15738	0.3
211.03865	2.4
212.04707	3.4
213.01971	0.4
213.05403	1.5
214.02623	0.9
217.00240	3.9
218.04668	0.3
225.05524	1.0
225.88223	0.4
227.03452	10.9
228.04222	7.5
229.04616	0.5
238.02628	0.6
239.03413	2.1
240.04045	0.5
241.05011	4.7
255.02965	5.5
256.03748	100.0
257.04083	6.2
260.27914	0.4
266.02209	1.8
269.04544	23.8
270.05011	1.5
271.06116	32.7
272.06320	1.9
281.04507	0.4
283.02374	0.5
284.03311	18.2
284.06894	9.1
285.03680	1.2
285.07187	0.7
299.05652	76.8
299.09207	10.9
300.06018	4.8
300.09543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0193
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
53.73286	0.5
59.01249	0.7
62.57130	0.4
63.02264	3.2
65.00197	1.7
69.45106	4.4
72.17089	0.5
83.01271	0.9
89.00203	0.5
91.01785	0.8
94.28683	0.4
98.48485	0.4
107.01257	2.8
108.02077	0.6
109.02839	2.8
133.02831	6.5
135.00771	1.1
137.02344	0.7
143.04922	2.0
145.02821	0.7
147.00766	0.7
147.04424	0.6
148.01579	0.9
151.00301	2.1
155.04930	0.9
157.02861	1.4
159.04356	0.7
163.03850	0.5
168.10008	0.5
171.04424	4.5
173.02368	0.9
175.03894	2.0
183.04359	1.2
187.03928	3.0
197.02339	0.8
198.03133	1.9
199.03929	11.9
200.04285	0.8
201.01910	4.0
203.03317	0.7
211.03896	0.6
213.01854	0.7
214.02663	0.8
215.03380	4.1
226.02733	2.6
227.03432	5.4
242.02168	1.9
243.02956	7.6
255.00557	0.8
255.02980	8.6
271.02451	68.2
272.02811	4.4
299.01938	100.0
300.02609	25.5
300.06143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2431
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01248	16.0
69.03310	0.7
69.87394	2.9
69.87805	1.2
71.01236	6.5
73.02804	1.3
80.18722	0.8
85.02808	1.8
89.02318	7.9
92.24456	0.7
99.08980	0.8
101.02310	4.8
108.47817	0.7
113.02308	2.7
119.03368	2.7
127.11230	1.2
135.06516	2.3
135.85719	0.7
155.10634	2.2
161.04439	1.7
171.10179	6.1
172.43806	0.8
179.05571	1.5
183.01118	9.2
197.02582	0.8
216.00862	0.9
237.09782	1.5
279.23322	11.6
280.23627	1.1
297.11826	4.7
297.15265	17.8
297.24332	100.0
298.12415	1.0
298.24594	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0195
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
63.02269	4.4
65.00188	6.1
69.47086	4.2
74.32176	0.5
74.95151	0.5
83.01217	1.5
85.31615	0.5
89.00194	0.8
91.01760	1.3
92.99734	0.5
95.24084	0.5
98.19769	0.6
101.46712	0.5
101.80418	0.5
107.01284	3.9
107.28266	0.5
109.02832	3.2
115.05379	0.6
117.03275	0.8
119.01228	1.1
119.86298	0.6
131.04903	0.6
133.02852	20.7
134.03169	1.0
135.00781	2.5
136.98686	1.5
137.02235	0.5
142.97807	0.5
143.04919	3.0
145.02881	1.1
147.00801	1.0
147.04387	1.5
149.02373	1.3
151.00266	5.0
155.04915	1.3
157.02823	2.1
159.04366	0.9
161.02316	2.4
163.00238	2.0
164.98175	1.8
169.01381	0.5
171.04420	5.5
173.02328	1.7
174.03236	0.6
175.03894	4.3
183.04431	2.1
185.02359	1.3
187.03969	3.2
189.05446	0.8
197.02356	1.3
198.03102	2.3
199.03938	21.2
200.04303	1.4
201.00078	1.1
201.01863	15.0
202.02174	1.2
203.03397	1.7
214.02658	0.8
215.03400	3.9
225.01845	0.7
226.02605	2.0
227.03467	7.6
228.03961	0.6
229.01407	1.2
231.03027	1.2
242.02132	3.0
243.02939	12.0
255.02916	3.7
256.03589	2.3
271.02466	73.3
272.02783	5.7
282.01736	1.1
284.03333	3.0
299.01962	100.0
300.02478	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	297.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19865	0.3
57.03321	0.4
59.01246	4.7
59.20398	0.4
70.59812	0.5
70.60185	1.1
71.01243	1.4
82.30447	0.3
85.02824	0.5
89.02310	1.8
101.02325	1.1
113.02312	1.2
117.03366	0.9
119.03416	1.0
121.02821	0.6
127.11202	2.0
128.03847	0.4
135.06506	0.8
152.38313	0.3
153.09053	0.4
153.12724	0.6
161.04469	1.0
163.03978	0.6
171.10165	11.6
179.05466	0.4
183.01125	2.1
237.09628	0.4
251.23709	0.6
261.22198	0.6
267.77777	0.4
275.67487	0.4
279.23270	12.9
280.23636	0.7
295.22800	0.7
297.15164	5.4
297.24319	100.0
298.24677	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	297.1341
Annotation	Tehranolide
Peak:m/z	Relative Intensity
57.03331	2.5
59.01244	8.2
70.81470	5.0
71.01257	2.6
72.99178	23.1
73.43084	1.5
75.10028	1.5
79.05383	4.2
83.04866	4.0
87.00748	33.7
95.04931	2.7
97.06474	4.8
99.04374	2.7
101.02313	2.2
109.06413	1.9
123.04398	2.2
123.08033	8.3
125.05999	3.8
125.22052	2.2
135.04378	2.8
135.08102	2.4
137.02255	1.7
141.09061	3.3
161.09564	3.3
187.11237	4.0
193.12350	2.2
200.88602	1.8
202.54079	1.8
205.12288	9.0
249.11249	3.7
279.12326	13.2
297.13419	100.0
297.24380	6.0
298.13788	6.2
303.63016	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	297.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37667	5.0
53.51144	5.5
59.01248	100.0
70.80387	15.4
71.01250	51.5
72.99181	26.7
85.02818	15.4
87.00739	37.7
89.02312	44.0
93.57196	5.7
101.02324	40.0
105.65939	5.9
108.79707	7.2
113.02318	11.9
118.98907	6.8
119.03392	20.9
123.08038	7.7
135.06496	20.1
161.04416	9.1
166.03601	6.7
167.77246	5.9
179.05505	9.1
237.09512	7.2
279.12491	6.3
287.78482	6.0
297.13831	44.8
297.24356	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0767
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
52.04417	0.3
59.01245	3.7
68.59738	0.3
71.01241	0.9
71.08935	0.3
71.15118	0.8
74.14668	0.3
80.50013	0.3
85.02817	0.6
89.02307	1.0
90.70570	0.3
91.23109	0.3
101.02328	0.5
107.84567	0.3
113.02301	0.7
117.03345	1.8
119.03380	0.4
121.02856	0.4
132.02052	0.9
133.02821	0.5
135.00757	0.6
135.06516	0.4
140.61787	0.3
141.03441	0.3
143.04938	0.7
155.04910	1.0
161.04498	0.5
167.04953	1.8
173.05890	0.4
176.77631	0.3
182.03651	0.5
183.04442	4.1
195.04430	5.7
210.03177	0.7
211.03940	11.5
212.04311	0.7
213.05630	0.3
215.18324	0.3
223.03926	4.7
238.02628	0.7
239.03450	35.4
240.03793	1.8
253.21417	0.3
266.02106	0.5
267.02963	44.6
268.03311	2.5
269.04565	0.8
282.05316	100.0
283.05658	6.6
283.11111	0.2
297.07642	30.0
297.24417	1.9
298.04788	0.6
298.07956	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	297.0403
Annotation	Melimessanol A
Peak:m/z	Relative Intensity
59.01250	2.0
70.14504	0.4
70.14901	0.5
71.01286	0.7
75.42451	0.2
83.01306	0.2
85.02832	0.2
89.02316	0.9
90.70952	0.2
91.01794	0.3
98.19729	0.2
101.02357	0.6
109.08376	0.2
113.02363	0.4
119.03374	0.4
123.19032	0.2
131.01419	0.2
135.00795	0.5
135.04420	0.3
135.06598	0.4
143.03505	0.2
150.28548	0.2
153.01897	0.5
154.04181	0.4
161.04396	0.4
162.48915	0.2
169.02884	0.2
170.03665	0.2
179.05605	0.2
182.03615	1.1
184.01633	0.2
185.02345	1.6
198.03128	0.5
209.02434	0.5
210.03145	0.2
213.01822	0.3
225.01825	0.4
226.02614	1.1
253.01379	3.1
254.02049	0.6
269.04477	0.3
275.24728	0.2
281.00897	12.9
282.01669	100.0
283.02039	7.0
297.04007	15.0
297.17126	0.3
297.24237	1.3
298.04401	1.4
304.65405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	0.6
59.01246	7.9
65.00179	0.9
67.01744	1.3
69.03310	0.7
71.01240	4.2
71.58028	0.5
71.58420	0.5
73.02821	0.6
81.91103	0.5
83.01241	0.7
85.02796	1.2
89.02309	3.3
91.01741	0.5
95.01244	0.9
101.02293	2.2
105.44566	0.5
108.01988	0.6
109.02824	0.6
113.02280	0.9
115.05387	0.6
117.03302	0.6
119.03351	1.2
121.02805	0.5
122.93179	0.5
129.07013	0.7
133.02785	0.6
133.06476	0.5
135.04405	0.9
135.06485	1.1
141.07005	1.7
143.03285	0.5
143.04892	2.1
145.02908	1.1
145.06427	0.5
152.06229	1.5
153.01782	0.7
153.07031	1.4
155.04926	1.4
161.04414	1.2
167.04927	2.9
167.10721	0.6
168.05667	0.9
169.06509	5.7
170.03712	0.5
171.04407	5.0
172.05135	1.4
173.02330	3.5
173.05914	1.5
179.05296	0.7
180.05707	1.2
181.06487	0.7
182.03621	1.1
183.04422	4.4
185.06006	2.0
188.35822	0.5
195.04417	6.7
195.13747	0.6
196.05220	13.0
197.06000	25.3
198.03110	2.7
198.06369	1.4
199.03934	8.3
205.12285	0.9
210.03210	0.9
211.03937	4.3
212.04622	2.5
213.05493	6.1
223.03957	3.4
223.13321	7.8
224.04672	1.4
225.05511	7.1
226.02727	0.7
227.03416	1.5
229.05003	0.6
232.34590	0.5
237.09596	0.8
239.03442	6.7
240.04225	50.8
241.04991	68.7
242.05394	3.9
250.02625	0.6
251.03345	0.6
255.02983	1.3
267.02966	6.3
268.03784	4.9
269.04520	71.8
270.04828	4.7
279.19507	0.6
282.01712	2.3
282.05331	7.6
285.03973	1.0
297.04016	100.0
297.07199	3.6
297.11633	2.8
297.20773	1.3
297.24338	4.7
297.27402	0.8
298.04401	8.7
309.26501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40367	0.6
59.01250	12.1
59.59145	0.6
64.60551	0.6
65.00194	11.3
68.83904	0.6
69.25955	4.8
69.26374	1.7
71.01244	3.4
73.02821	0.8
81.03345	0.7
85.02817	2.1
89.00195	2.8
89.02314	4.4
91.01776	2.7
95.59983	0.5
96.90511	0.7
97.02817	8.3
101.02324	3.0
109.02837	2.1
113.02312	1.6
119.01283	3.2
119.03370	1.0
121.02828	3.8
121.67706	0.6
134.70386	0.6
135.00728	1.0
135.06512	1.4
141.03342	0.7
142.04152	0.7
149.99525	3.0
150.94032	0.7
153.01855	1.2
153.93266	0.6
154.04106	2.0
156.02020	0.8
158.03645	1.4
160.34908	0.7
161.04477	2.1
165.01831	37.1
166.02159	1.2
169.02878	1.6
170.03647	3.7
179.05618	0.9
182.03659	11.9
185.02412	1.2
186.03134	0.8
195.16403	0.6
197.02393	3.9
198.03146	15.5
207.45837	0.8
210.03162	9.1
211.03633	1.1
213.01846	0.9
214.02699	2.3
225.01846	3.6
225.05489	1.4
226.02664	29.0
227.03186	1.0
229.01416	4.3
230.01991	1.0
237.01869	0.9
237.09554	0.9
238.02692	7.3
239.03407	1.2
241.05014	1.9
253.01360	1.9
254.02173	31.9
255.02797	4.3
269.04538	63.3
270.04849	4.8
281.00928	4.3
282.01691	25.1
282.04727	0.9
283.02100	3.8
297.04025	100.0
297.11429	2.6
297.20831	1.2
297.24292	5.5
298.04471	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	297.0403
Annotation	2',7-Dihydroxy-4',5'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
58.00465	0.7
59.01250	6.9
60.06491	0.3
63.02263	2.5
65.00195	1.9
70.55737	1.0
71.01246	2.6
73.02781	0.4
83.01239	0.6
85.02801	0.9
89.00183	0.4
89.02322	2.7
90.74541	0.4
91.01771	1.4
101.02298	2.1
107.01287	1.8
113.02316	1.2
117.03376	0.4
119.03358	0.8
119.04833	0.5
123.04403	0.7
132.02034	0.9
133.02855	6.3
135.00778	1.2
135.04431	2.3
135.06503	0.8
140.54184	0.3
143.04916	0.6
151.00249	1.0
153.01862	0.7
155.04927	0.7
157.02831	0.8
159.04359	2.1
161.02345	1.5
161.04466	0.9
163.03954	0.5
167.05002	0.6
169.06505	1.1
169.12216	1.6
171.04425	0.4
173.06010	0.4
176.01094	0.4
179.05475	0.3
180.05794	1.6
181.06529	1.9
183.04454	2.2
185.02444	0.4
185.06038	0.3
195.04459	1.1
196.05188	1.2
197.05969	1.6
199.03952	1.4
201.05522	2.0
211.03926	1.4
213.05458	0.9
223.03949	1.0
224.04796	1.8
225.05594	1.8
227.03442	1.4
237.09799	0.6
239.03400	2.1
240.04169	1.0
241.05006	1.9
267.02951	3.5
268.03775	3.6
269.04544	37.9
270.04916	2.3
279.19733	0.5
295.02551	1.2
297.04037	100.0
297.20712	5.7
297.24359	3.9
297.27701	0.6
298.04379	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.04531	0.4
55.42671	0.4
57.01356	0.4
59.01259	2.8
67.60360	0.3
67.78484	0.4
71.01250	1.1
83.04893	0.5
85.02804	0.5
88.85180	0.3
90.71420	0.4
98.95430	0.4
109.06443	0.6
127.11156	0.8
141.12735	8.2
141.13760	0.7
155.14305	3.8
161.04523	0.4
249.22208	7.9
250.22485	0.5
271.80054	0.4
277.21695	1.0
295.22760	100.0
296.23065	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	295.2276
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03305	1.0
57.67696	0.5
59.01245	5.0
61.93645	0.5
62.75286	0.5
71.01246	1.5
85.48441	0.5
89.02303	0.7
95.04906	0.6
96.95857	1.6
98.20654	1.2
98.95454	5.3
98.96069	0.7
98.96282	0.6
101.02338	1.0
103.96944	0.5
113.15849	0.6
125.09575	3.9
132.73503	0.6
133.04932	0.8
141.12651	0.7
151.11156	2.3
219.32474	0.5
229.34138	0.7
249.70956	0.6
251.23773	1.5
277.21796	1.0
295.17963	4.7
295.22739	100.0
296.23083	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	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
54.47952	0.6
54.48216	0.6
56.52750	0.6
56.87833	0.6
57.03312	1.3
58.09838	0.6
59.01256	6.1
68.93257	0.7
70.15456	2.2
71.01258	1.0
76.06988	0.6
84.74374	0.6
89.02354	0.6
94.22572	0.6
98.95478	2.3
101.02284	0.8
101.27728	0.6
113.09608	2.4
139.00391	0.8
142.10515	0.6
175.10593	0.6
179.14374	1.2
181.12291	0.9
183.13774	3.0
195.13840	28.1
196.14212	1.1
202.00426	0.7
277.21713	23.3
278.21997	1.4
295.22772	100.0
296.23096	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	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03308	2.0
59.01251	7.0
68.02408	1.1
69.03308	0.6
71.01247	1.5
82.94393	0.6
95.29646	0.6
98.19820	1.4
98.95458	2.8
98.96268	0.8
99.08008	0.8
101.02310	1.2
108.36430	0.6
111.08064	0.7
125.09623	1.5
127.11169	1.1
139.07355	0.7
139.11165	0.8
151.11163	0.8
151.48438	0.6
155.14328	2.7
171.10181	34.4
172.10490	0.9
183.10187	2.0
195.13818	2.1
224.15022	0.6
251.23775	1.6
259.20737	0.6
277.21722	41.3
278.22009	2.4
295.18024	3.8
295.22766	100.0
296.23111	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.39186	0.6
56.02667	0.5
57.03319	0.8
59.01244	2.3
59.86980	0.6
66.21167	0.6
71.01225	0.5
75.87952	0.5
98.20583	0.9
99.07989	0.6
113.09586	1.0
118.28375	0.6
127.23670	0.6
141.12791	0.7
171.10187	19.5
183.10176	5.4
195.13818	6.6
229.31940	0.7
254.65685	0.7
277.21719	34.6
278.22018	3.5
295.22781	100.0
296.23111	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.36543	0.2
57.03329	1.1
59.01248	3.0
65.87486	0.2
71.01242	0.3
72.86704	0.2
83.04898	0.4
85.17911	0.2
97.06433	0.3
99.08052	0.4
113.09612	2.5
113.70277	0.2
171.10112	0.7
177.12778	0.6
179.14339	1.1
181.12245	0.6
195.13838	19.3
196.14171	0.9
229.31943	0.2
233.22681	0.2
251.23727	0.4
259.20676	0.3
277.18277	1.4
277.21710	20.1
278.22104	1.6
293.21164	0.3
295.22763	100.0
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	Moniliforminol A
Peak:m/z	Relative Intensity
57.03321	0.9
57.32151	0.6
58.35573	0.7
59.01252	10.2
59.97985	0.6
60.51316	0.7
69.03309	0.7
70.60829	1.8
71.01252	2.5
75.00709	0.7
83.04917	1.4
85.02823	1.3
94.12943	0.6
101.01536	0.7
101.02309	1.5
106.57991	0.7
111.08018	2.3
113.02351	1.2
113.09619	3.7
130.60455	0.7
133.04965	1.0
139.07567	0.9
157.08611	84.9
158.08978	3.1
163.89673	0.7
171.10034	0.8
195.13896	1.3
220.87350	0.6
221.46687	0.7
225.14844	0.9
233.22652	1.4
253.09135	0.8
259.20667	0.8
277.21722	65.8
278.22076	4.6
295.22781	100.0
296.23071	7.6
318.31830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30181	0.9
54.59562	0.9
56.15588	0.8
57.03318	1.0
58.00447	2.0
59.01246	57.2
63.46988	0.8
64.82822	0.9
67.49233	0.8
71.01249	32.2
71.05624	1.7
72.99165	3.4
73.02798	1.1
75.00719	2.3
83.01236	2.9
85.02824	7.4
87.00750	2.2
88.76560	1.1
89.02305	40.0
93.31551	0.9
95.01249	1.7
99.00718	1.3
101.02316	22.8
113.02322	15.1
115.03909	1.7
119.03378	18.3
131.03372	1.9
133.04951	2.2
143.03406	1.6
149.04427	1.8
154.31551	0.8
161.04445	2.1
163.03900	1.3
179.05534	2.8
251.07706	1.0
295.10312	100.0
296.10638	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90176	0.4
55.01752	2.0
56.14756	0.4
57.03326	1.4
58.00469	3.5
59.01247	100.0
60.01592	0.7
69.75509	0.7
69.75912	1.3
70.54775	0.5
71.01250	47.2
71.04893	1.1
72.01601	0.7
72.99187	3.6
73.02820	1.7
75.00742	2.2
83.01248	3.1
85.02819	9.9
87.00740	2.6
89.02311	54.6
90.02674	0.9
95.01252	4.1
99.00752	0.6
101.02316	25.2
102.02659	0.6
113.02325	16.9
115.03878	3.6
119.03389	21.5
125.02319	0.4
131.03394	1.4
133.04941	3.0
143.03395	1.9
149.04434	1.3
161.04494	1.7
161.05818	0.4
179.05530	2.6
220.20831	0.4
237.06113	1.0
251.07748	1.0
266.45041	0.4
295.10327	76.7
296.10739	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	5.2
58.55632	1.1
59.01248	74.7
67.49562	1.1
69.45238	1.1
69.91110	5.9
71.01249	44.6
72.99174	5.7
73.02805	2.3
77.59812	1.1
83.01247	2.6
85.02811	7.8
86.15711	1.1
87.00758	1.3
89.02308	55.5
95.01247	3.3
101.02312	32.1
113.02328	18.7
119.02560	2.0
119.03386	27.5
126.41500	1.0
131.03450	1.2
133.04964	3.6
143.03404	2.3
149.04489	1.9
161.04486	3.0
177.30539	1.3
179.05505	2.9
195.20490	1.0
295.10309	100.0
296.10623	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.5
58.87513	0.5
59.01258	3.7
68.02412	8.7
71.01252	3.5
71.01588	0.6
71.57704	0.5
73.02808	0.6
78.30816	0.5
85.02816	0.5
89.02320	1.9
94.00771	0.5
95.04923	0.7
96.23495	0.5
96.95912	0.5
101.02312	0.9
111.08038	0.8
118.01217	0.5
131.03374	0.7
136.08815	1.5
158.34282	0.4
161.04463	0.9
167.10721	1.0
177.12695	0.5
179.14293	1.6
191.00117	0.5
192.11502	0.8
193.15829	2.5
194.92630	0.5
195.13835	15.7
196.14217	0.8
205.12267	1.8
205.15919	0.9
210.90131	1.0
211.13362	1.3
220.14622	3.6
221.15405	5.5
223.13326	10.0
224.13692	0.9
228.13557	1.5
231.21069	0.5
236.10487	4.6
237.10973	0.6
239.12878	0.5
249.18666	0.7
256.13196	3.7
265.21753	0.7
275.20145	9.3
275.22891	0.9
276.20370	0.6
293.08789	1.7
293.21204	100.0
294.21512	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66037	0.3
57.03318	0.5
59.01252	2.3
68.02412	2.4
69.03325	0.3
70.50661	0.7
71.01244	0.9
80.85851	0.3
83.04878	0.4
87.63892	0.3
89.02335	0.4
95.04934	0.4
97.06442	0.5
101.02336	0.3
111.08026	0.7
113.09597	1.0
134.54250	0.3
136.08815	1.2
152.91632	0.4
161.04465	0.4
166.91104	0.4
167.10727	0.4
169.12317	0.3
177.12759	0.4
179.10715	0.3
179.14316	1.5
181.12312	0.4
192.11493	0.9
193.15921	2.6
195.13834	15.1
196.14418	0.8
202.90265	0.3
205.12286	1.0
205.15947	0.6
211.13347	1.0
220.14626	1.2
221.15454	3.1
223.13347	11.0
224.13689	0.6
228.13589	1.4
231.21198	0.5
236.10490	1.7
239.12894	0.5
249.18573	1.0
256.13165	4.0
265.21741	0.7
275.20154	8.5
275.23230	0.4
276.20587	0.5
293.21219	100.0
294.21530	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45948	0.4
52.98571	0.5
57.03324	1.0
59.01250	0.8
63.33907	0.4
68.02409	0.8
71.06815	1.5
80.80644	0.4
95.75261	0.5
97.06479	1.6
98.87231	0.5
106.32714	0.4
114.23664	0.6
123.08053	0.7
125.09607	4.7
141.12747	1.1
144.35466	0.4
149.09627	1.8
151.11240	0.4
162.09096	0.5
183.13942	0.4
185.11754	8.9
197.11769	1.9
198.55997	0.5
220.14534	0.7
221.15500	0.9
249.22220	0.8
275.20108	1.2
293.21237	100.0
294.21579	6.8
303.16949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95930	0.3
59.01230	1.0
62.65762	0.4
67.34695	0.3
68.02396	1.7
68.12512	0.3
69.03320	0.9
69.84800	0.6
69.85204	1.7
71.01260	0.7
72.99156	0.8
73.02821	0.5
76.90766	0.4
78.38170	0.3
80.96476	0.4
83.04874	1.0
84.81866	0.4
89.02302	0.6
95.04882	0.4
96.95885	14.5
97.06414	0.4
99.08018	0.6
113.09595	0.7
114.90870	0.4
116.76056	0.4
125.09576	1.1
139.11192	3.3
151.64737	0.3
153.12781	2.2
167.14337	0.6
173.84489	0.3
187.29199	0.4
191.17975	3.2
202.78404	0.3
220.14626	0.9
221.15468	1.6
224.14107	1.0
229.19421	0.6
236.10420	1.5
245.18912	0.6
247.20589	2.9
275.20029	0.9
289.78662	0.3
293.17935	11.9
293.21161	100.0
294.18289	0.9
294.21503	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.7
69.40524	5.4
89.99323	0.7
111.08033	1.2
112.88084	0.6
113.09547	0.7
135.58778	0.6
150.22835	0.7
165.89992	0.6
167.10660	0.7
179.14331	1.9
195.13809	14.8
196.14465	1.8
205.12325	1.3
223.13309	11.9
224.14095	0.8
228.13551	1.5
231.21191	0.7
238.83282	0.7
256.13123	5.6
275.20105	10.8
293.21201	100.0
294.21545	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	293.212
Annotation	Sterebin D
Peak:m/z	Relative Intensity
57.03305	3.1
59.01235	4.8
69.45071	2.2
69.45480	8.7
71.01241	2.1
71.04888	5.0
82.36264	1.1
96.75584	1.4
113.09603	3.2
209.15395	1.7
219.17323	1.7
221.15288	1.6
223.16966	5.1
231.21074	2.1
235.16980	39.9
236.17342	2.9
253.34532	1.5
275.20163	40.0
276.20523	2.4
293.21216	100.0
294.21463	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64906	1.3
59.01237	2.8
69.15450	1.2
70.34340	3.6
72.81536	1.3
76.32906	1.2
82.46717	1.4
94.99448	1.2
98.20473	2.5
104.87786	1.2
121.10117	46.5
122.10408	1.6
124.93571	1.3
125.09624	1.2
127.11137	2.0
128.49538	1.2
171.10173	72.6
172.10451	2.5
183.13882	1.6
183.15863	1.3
185.11807	3.3
205.12453	1.4
231.21097	5.5
263.37262	1.4
275.20132	100.0
276.20474	6.9
293.21219	62.8
294.21494	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.7
59.01252	5.3
63.40305	0.6
64.95247	0.6
68.02147	0.6
68.02419	6.6
69.03334	1.6
70.60790	1.4
70.61148	1.6
71.01249	3.4
71.04920	0.7
73.24737	0.6
85.02835	0.7
89.02328	1.5
90.69639	0.6
101.02290	1.0
105.82847	0.6
113.68317	0.7
123.08014	1.5
136.08830	0.9
139.11200	1.0
151.11176	3.0
166.91010	1.4
169.12245	2.6
177.09128	0.8
192.11472	1.1
193.15903	2.5
197.11771	37.4
198.12053	1.3
220.14702	3.5
221.15431	6.9
222.18361	0.7
223.13466	0.7
231.21146	1.4
236.10461	4.6
249.18773	0.8
249.22205	1.3
275.20148	19.2
276.20526	1.2
293.08786	2.2
293.21222	100.0
294.21548	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16402	0.7
57.03328	5.7
59.01248	3.5
71.28971	1.0
71.29321	0.8
76.09284	0.5
82.95622	0.5
97.06408	1.3
113.09606	20.2
114.09924	0.8
121.10145	3.7
130.02979	0.6
134.79442	0.5
139.11177	2.0
149.09573	0.9
167.10684	2.7
170.71375	0.5
171.10207	8.3
178.36499	0.5
179.10670	1.6
183.10176	0.5
185.11717	0.7
194.88690	0.5
195.13783	2.6
197.19363	0.5
208.77200	0.5
225.03400	0.5
231.21149	0.7
235.16876	0.9
244.91553	0.5
249.22232	1.8
275.20148	10.3
276.20737	0.8
293.21210	100.0
294.21545	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.3
68.02418	0.5
70.48030	0.9
71.01254	8.1
73.76783	0.2
89.02316	0.3
121.29547	0.3
123.94977	0.2
127.07538	0.8
148.05135	1.2
151.07532	0.6
164.08270	1.4
177.09132	5.4
190.09888	0.4
192.11472	7.8
193.11914	0.5
195.13832	0.3
205.09337	0.3
205.12274	8.3
206.12627	0.5
207.13850	1.1
207.53307	0.3
217.08757	0.7
218.09416	2.2
220.14632	51.1
221.15404	100.0
222.15756	5.9
235.13303	1.1
236.10490	72.3
237.10876	4.9
275.20050	0.4
293.17566	7.7
293.21149	1.7
294.17975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2117
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
55.01741	0.4
57.03321	0.9
59.01252	2.6
68.02414	5.8
69.02740	0.6
69.03310	0.4
70.88364	0.5
71.01238	1.6
73.02800	0.5
75.70579	0.4
81.03313	0.6
85.02813	0.9
89.02315	1.0
92.03805	0.4
95.04922	0.5
96.95832	0.7
97.06480	0.7
101.02290	0.7
111.08031	1.1
113.09564	0.5
121.02829	0.4
131.03447	0.4
141.09061	0.5
161.04477	0.8
166.90959	0.9
167.10689	0.7
179.14287	1.0
181.12309	0.8
195.13831	14.8
196.14305	1.0
205.12280	1.0
205.15923	1.0
210.89941	0.5
211.13297	1.5
221.15443	0.7
223.13362	9.9
228.13617	1.1
236.10480	0.6
256.13089	2.6
265.21793	0.9
275.20126	8.0
276.20471	0.6
293.08710	1.3
293.21207	100.0
294.21542	8.6
301.51581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28605	0.8
68.02408	1.8
70.44978	3.4
73.00906	1.1
148.08810	1.7
165.12762	20.6
166.13037	1.4
191.14310	1.2
195.15883	0.8
247.20673	9.4
273.18539	6.2
291.19653	100.0
292.19910	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03315	2.0
59.01250	3.8
59.22784	0.2
61.48216	0.2
63.61835	0.2
67.01743	0.3
68.02408	5.1
68.47885	0.3
69.03336	0.7
71.01231	0.4
71.57574	0.5
83.04896	1.1
85.38940	0.3
86.63384	0.3
93.03356	0.3
95.04914	1.1
97.06450	0.4
104.89133	0.3
109.06458	0.6
111.08036	15.6
112.08362	0.3
113.09602	0.8
119.04901	0.5
121.02823	0.6
122.82965	0.3
123.08102	0.3
129.49217	0.3
135.11656	0.8
137.09596	1.3
139.11215	0.5
146.47467	0.3
149.09663	0.7
155.10619	0.3
161.09691	0.4
167.10667	2.4
177.12773	2.2
179.10657	2.6
195.13832	8.9
196.14030	0.5
209.04469	0.5
247.20650	3.5
248.21060	0.3
261.44437	0.3
273.18607	2.4
291.19635	100.0
292.19952	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	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.7
57.45506	0.5
59.01239	1.1
59.54817	0.5
63.50317	0.5
65.74474	0.5
68.02421	0.9
70.59962	0.6
70.60301	1.2
87.19233	0.5
93.06960	1.4
97.06452	1.5
108.88181	0.5
117.09846	0.5
121.10111	14.7
122.10448	0.6
123.08023	1.4
125.09602	7.5
127.01389	0.5
141.12720	0.8
141.27458	0.5
147.08000	0.6
171.10115	0.5
185.11748	15.6
186.12042	0.6
193.15820	0.6
197.11754	3.6
209.11781	1.3
211.13310	1.8
223.13467	0.8
227.96483	0.5
247.13387	0.8
247.20695	1.4
273.18594	1.7
291.19638	100.0
292.19986	6.5
305.88467	0.5
306.16537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01236	0.5
66.99976	0.3
68.02410	3.5
72.92125	0.4
73.02818	53.5
74.03146	0.4
101.16048	0.3
121.02815	0.7
148.67557	0.3
157.84372	0.3
201.77248	0.3
268.20410	0.3
275.26309	0.4
291.19653	100.0
292.19992	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	290.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.5
61.62252	0.5
65.99744	0.8
71.04877	1.5
71.57018	0.5
80.63704	0.4
83.08741	0.3
84.04417	3.2
88.93130	0.3
95.04879	0.4
96.04410	0.5
97.33563	0.3
98.05978	1.2
102.05505	0.5
103.25554	0.4
105.06982	1.6
107.03635	0.7
119.04915	0.5
121.02819	0.9
121.36118	0.4
132.05620	0.7
136.07507	0.5
136.24892	0.4
146.07288	0.6
147.27341	0.4
148.03885	0.6
148.07573	7.3
161.08284	0.7
161.09615	14.0
162.09961	0.9
163.03911	0.4
163.06287	0.4
174.09158	1.3
176.10680	0.5
188.10695	0.5
190.12404	0.5
204.10222	100.0
205.08731	0.4
205.10545	5.8
209.04518	0.5
246.14975	3.7
290.13965	2.6
290.18295	0.6
291.19623	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	290.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.8
63.26184	0.4
65.99722	0.8
71.01242	0.6
71.04892	1.7
84.04409	3.7
90.65644	0.5
95.04897	0.7
96.04354	0.5
98.05984	1.3
102.05489	0.5
105.06953	1.7
107.03652	0.7
121.02847	1.6
126.76854	0.5
132.01749	0.5
132.05685	0.9
143.08632	0.5
143.10690	0.7
145.06454	0.5
148.07581	8.8
156.98891	0.5
161.09627	12.8
162.09961	0.7
174.09183	1.9
176.10713	1.3
204.10231	100.0
205.10574	5.5
209.04497	0.6
246.14961	3.9
290.13947	2.5
290.18298	0.7
291.12418	0.7
291.19626	1.8
293.29282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1082
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
51.80156	0.7
52.39193	0.7
59.01251	4.2
65.03819	1.2
71.01280	0.7
71.58093	1.5
79.05402	0.8
87.95480	0.7
107.04910	1.1
109.02802	1.0
123.04398	1.5
125.02345	1.0
130.04158	0.8
135.04402	1.2
146.03664	3.5
147.04379	2.2
159.04463	7.5
159.80444	0.8
160.04832	0.9
161.02324	1.1
168.70105	0.8
172.05183	3.5
173.05968	2.8
174.06628	0.7
175.04024	1.0
180.05634	1.0
183.04446	1.5
184.05205	4.9
185.05890	2.4
185.09569	1.1
186.06715	1.2
187.03999	3.9
187.07555	4.4
188.04662	0.8
191.03452	0.7
195.08041	0.8
196.05145	2.1
197.06001	36.5
198.06688	8.0
199.07558	1.2
200.04691	1.5
201.05476	6.0
201.09119	5.2
202.06004	1.2
205.01387	2.5
211.07591	7.4
213.09140	100.0
214.09462	7.7
215.07115	3.7
215.10707	2.6
217.12263	1.1
220.03775	2.2
229.08730	4.2
230.09386	3.2
245.11772	28.3
245.19135	0.8
246.12041	1.7
289.03665	1.0
289.07236	3.3
289.10764	19.4
289.17944	4.8
290.11258	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	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.02865	0.5
57.03328	5.6
59.91188	0.5
62.88278	0.6
63.92692	0.5
69.03329	1.1
69.28481	6.1
77.88569	0.6
81.03329	4.7
83.01270	4.7
86.73797	0.5
93.03342	2.1
95.01260	1.6
95.04901	6.2
97.02230	1.2
97.02827	11.5
99.04395	0.9
107.04872	0.7
108.02054	1.1
109.02833	38.0
110.03168	1.0
121.02842	5.0
122.03616	2.4
123.04408	29.0
124.04777	0.8
125.02332	23.7
133.02837	0.8
135.04382	2.9
137.02341	13.9
138.03069	2.1
139.03912	5.6
143.04875	0.6
145.02866	1.9
146.03642	2.0
147.04350	1.0
148.32935	0.5
149.02345	5.9
150.03090	1.6
151.03896	14.5
157.06480	1.0
159.04453	5.0
160.05205	2.1
161.02335	1.3
161.05980	6.0
162.03151	2.7
163.03900	2.2
164.01060	4.6
165.01874	5.6
166.02606	1.2
167.03369	2.2
173.05997	1.7
174.03123	0.9
175.03911	2.8
175.07582	4.2
177.05504	1.3
179.03416	9.5
180.03705	0.6
185.05998	0.9
187.03923	6.1
188.04698	5.4
199.07523	1.2
201.05527	1.2
202.06224	3.0
203.07066	17.3
204.07419	0.8
205.03282	1.0
205.05014	12.4
209.48824	0.6
212.04642	1.0
217.04810	1.0
220.09106	0.6
221.08124	5.9
227.07007	2.8
230.05731	0.8
231.02921	1.1
245.08148	33.2
246.08543	1.8
247.06067	1.6
271.06091	1.1
289.07172	100.0
290.07455	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	289.0718
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.00072	0.6
57.03320	5.7
61.95668	0.6
64.61193	0.6
68.99663	0.7
69.03330	1.4
70.58246	2.1
80.02563	1.0
81.03320	4.7
83.01254	5.9
93.03334	2.8
95.04908	8.6
97.02832	11.6
107.04913	1.0
108.02042	2.1
109.02838	47.0
110.03188	1.4
121.02836	6.0
122.03613	2.5
123.04414	35.7
125.02338	26.9
133.02892	1.2
135.04391	4.0
137.02344	14.7
138.03069	1.4
139.03903	6.6
143.29958	0.6
145.02803	2.4
146.03616	2.6
147.04442	1.0
149.02354	7.5
150.03098	2.4
151.03923	16.5
157.06401	0.6
159.04398	5.1
160.05179	3.0
161.02316	2.4
161.05995	8.1
162.03120	2.9
163.03911	2.1
164.01103	4.8
164.77591	0.6
165.01834	6.9
166.02512	1.0
167.03448	3.0
173.05966	2.2
174.03127	1.1
175.03903	3.7
175.07565	3.4
177.05545	1.6
179.03407	10.5
185.06018	1.5
187.03941	7.9
188.04697	6.9
190.02417	0.7
199.07597	1.7
201.05490	1.2
202.06291	4.2
203.07060	20.2
205.05003	12.0
212.04750	0.8
217.08641	1.1
221.08096	6.2
222.08319	0.6
227.07022	3.5
230.05763	1.5
231.02933	0.7
231.26688	0.7
245.08167	33.7
246.08505	1.7
247.06110	1.5
271.06119	1.9
289.07175	100.0
290.07574	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	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
52.71857	0.4
58.94292	0.4
59.01252	6.9
68.69182	0.3
71.58916	0.5
81.03333	1.5
92.04948	1.0
93.03326	1.6
95.01247	0.4
102.71983	0.3
108.02097	0.4
108.04435	5.5
109.02829	5.3
114.95457	0.4
119.08567	0.8
121.02790	0.6
124.01509	0.5
125.09590	0.4
130.10193	0.3
134.02374	38.9
135.03175	8.9
136.03944	40.3
137.02380	1.9
137.04271	1.2
148.03923	1.4
149.04605	0.9
176.03442	4.9
176.07198	0.3
181.03734	0.5
190.05040	0.5
201.07570	0.4
204.06607	0.7
227.97232	0.4
260.80206	0.4
288.16052	100.0
289.16220	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0924
Annotation	1-Hydroxy-3-(4-hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propanone
Peak:m/z	Relative Intensity
50.34316	0.4
50.94467	0.4
55.94550	0.4
59.01250	2.1
63.24043	0.4
65.00180	0.5
65.03834	2.7
67.01785	0.7
69.67016	2.7
83.01267	0.7
83.04890	0.6
91.05402	12.5
92.05747	0.4
93.03343	3.7
95.01254	0.9
96.02075	0.5
108.02027	1.2
109.02828	31.1
110.03172	0.8
111.08031	1.9
119.04907	0.6
121.02834	25.1
122.03167	0.5
123.00770	2.9
124.01556	3.7
125.02350	2.6
133.02841	2.0
134.97736	0.4
135.04408	100.0
136.01564	3.4
136.04750	4.8
137.02357	2.9
138.03177	2.2
139.03929	2.5
145.02875	0.8
145.06485	0.5
147.04422	3.8
148.04845	0.4
149.02332	6.2
149.05957	0.9
150.03123	63.6
151.00272	1.9
151.03531	2.1
152.00885	0.4
153.01840	1.3
159.04372	0.5
162.03117	1.9
163.02658	0.7
163.03909	7.2
165.05475	28.7
166.05901	1.0
166.67921	0.4
173.05969	0.7
173.08133	1.9
175.03856	1.1
177.01862	1.5
177.05455	2.6
185.06001	0.5
189.05402	0.5
201.05446	1.5
202.06206	0.7
213.05510	0.8
217.04907	0.6
219.06436	0.4
225.05449	0.6
227.07138	0.7
228.07805	1.1
229.04865	0.5
230.05721	0.5
239.03384	0.5
243.06537	0.4
254.05794	1.7
255.06546	2.6
256.07150	0.5
257.04523	5.7
257.08170	1.0
259.06006	1.0
269.04663	0.5
271.06161	2.6
272.03702	0.7
272.06866	19.6
273.07202	1.8
287.09225	83.5
287.22025	1.1
288.06299	0.8
288.09506	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83388	0.7
57.03325	13.2
59.01247	1.7
63.02262	3.9
65.00189	8.3
69.26781	6.2
69.27190	1.5
71.01257	2.2
73.02824	0.9
81.03332	2.3
83.01257	11.9
85.02837	1.3
93.03340	3.1
95.01250	1.6
96.70769	0.7
101.02316	0.9
107.01276	6.9
109.02830	2.4
111.00766	1.4
117.03382	1.0
121.02850	1.2
122.22251	0.7
123.00737	1.0
123.04428	2.4
124.01537	3.2
125.02337	100.0
126.02641	2.3
131.04921	2.4
133.02885	3.5
134.01747	1.2
135.04405	3.4
137.02290	2.0
143.04857	0.8
149.05934	1.1
151.00267	14.3
152.01083	8.6
153.01796	2.4
157.06499	3.1
159.04375	1.4
165.01805	0.8
169.01363	1.3
172.05202	2.2
173.04613	1.9
173.05994	5.7
175.03874	1.6
177.05484	15.9
178.99782	8.3
183.04349	0.8
199.07565	3.2
201.05522	7.7
203.03433	1.0
213.05515	1.5
214.06200	0.9
215.07080	6.2
216.07558	0.9
219.06569	2.5
225.05460	1.2
241.05026	1.8
243.06613	16.1
244.06952	1.4
250.22699	0.7
259.06088	85.6
260.06430	5.3
268.03745	2.7
269.04492	13.0
272.05939	0.9
287.05603	59.8
288.05844	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	287.0561
Annotation	Monodictyphenone
Peak:m/z	Relative Intensity
57.03318	0.6
59.01237	1.4
65.00182	1.0
65.03838	2.4
66.91930	0.3
67.01768	0.5
67.42258	0.3
72.81036	0.4
80.19208	0.3
83.01257	1.0
89.03843	3.9
91.01761	1.7
93.03340	0.7
94.06694	0.4
94.86214	0.3
95.04910	1.1
105.03323	0.5
107.01224	0.4
107.04909	2.8
108.02058	1.5
109.02830	100.0
110.03152	2.1
111.00776	0.4
121.02880	2.7
123.04394	3.0
124.01531	1.1
125.02332	4.8
132.02063	1.4
133.02846	53.1
134.03114	2.5
135.00771	2.2
135.04401	2.1
137.02325	5.4
147.04390	0.4
148.05225	0.4
149.02319	1.8
149.05978	0.6
150.03099	1.3
151.00233	0.9
151.03906	15.9
152.04268	0.7
153.01843	1.7
159.04375	0.8
161.02318	0.9
164.01131	0.5
165.01817	2.8
166.02530	0.5
172.05197	0.5
173.05986	1.3
174.03127	0.7
175.03899	2.8
177.01842	60.9
177.05238	1.1
178.02176	2.5
189.05475	1.0
189.31781	0.4
199.03899	0.5
201.05502	2.7
203.03485	0.7
209.04442	0.4
215.07062	0.5
217.05077	0.8
219.06555	1.0
225.05415	0.4
243.02911	0.4
243.06567	0.5
259.06055	3.3
269.04578	0.7
272.03299	0.4
272.07193	0.4
287.05606	9.3
287.09048	0.6
287.22293	1.0
288.05954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57602	1.0
57.03325	14.6
59.01248	1.9
59.41512	0.8
63.02258	4.5
65.00193	8.4
69.24223	9.9
71.01260	3.0
81.03322	4.1
83.01263	11.7
85.02814	1.8
85.51817	0.9
93.03320	4.1
101.02248	1.2
107.01246	5.9
107.04859	1.7
109.02850	2.8
109.25546	0.9
111.00764	1.8
113.02354	1.2
117.03351	1.4
121.02851	1.6
123.04389	2.6
124.01550	3.4
125.02335	100.0
126.02675	2.5
131.04918	2.4
133.02835	5.2
134.03580	1.3
135.04395	4.3
137.02330	1.4
139.25192	0.9
145.02869	1.0
151.00291	13.5
152.01044	9.8
153.01817	2.3
156.05612	1.4
157.06483	1.6
159.04512	1.7
165.01871	1.0
169.01318	1.6
172.05202	1.6
173.04593	1.4
173.05991	4.6
175.03856	1.2
177.05498	17.6
178.99750	7.4
199.07588	2.8
201.05542	9.0
203.03355	2.3
213.05499	1.6
215.07007	5.8
217.11575	0.8
217.25456	0.8
219.06586	2.2
225.40828	0.8
241.04953	1.6
243.06584	14.8
244.07066	0.9
258.30692	1.0
259.06097	71.7
260.06387	3.2
268.03949	2.1
269.04544	12.7
272.03326	1.0
282.25565	0.9
287.05618	50.0
288.06088	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.81639	0.3
56.81570	0.3
59.01244	1.6
60.55620	0.3
70.02842	1.2
71.23658	0.4
71.46201	0.3
71.58116	0.3
71.58601	0.6
74.05981	1.9
75.54108	0.3
104.93138	0.4
117.06983	3.0
118.04980	0.9
125.02332	0.5
135.04385	0.6
151.00294	0.4
240.23245	3.0
242.21207	1.6
268.22766	1.4
271.04745	1.0
284.22339	0.5
286.04303	1.8
286.07227	0.9
286.23856	100.0
287.16483	2.5
287.24237	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	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.1
59.01251	100.0
69.77748	4.0
71.61225	1.0
79.75861	0.8
87.49441	0.9
89.67806	0.8
98.03342	1.1
133.02859	3.0
134.53780	1.1
149.02321	1.6
151.00252	1.2
175.03928	1.6
184.77234	0.8
199.04030	2.0
225.14896	1.5
243.12357	1.1
257.04578	1.3
282.16290	1.2
285.04013	27.8
285.16867	1.2
286.04327	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0769
Annotation	Sainfuran
Peak:m/z	Relative Intensity
55.18966	0.3
57.17096	0.4
63.02265	1.1
65.00198	1.6
65.99663	0.4
70.01397	1.6
83.01237	1.1
83.42243	0.3
93.03355	0.8
95.01267	1.5
97.12477	0.3
98.19832	0.5
105.03333	0.6
107.01284	2.7
108.02070	0.6
109.02837	3.8
109.31961	0.4
121.02825	1.9
123.00766	2.1
123.04414	0.6
124.01553	3.3
133.01825	0.9
133.02846	17.3
134.03169	0.8
135.00793	0.4
136.01569	2.7
137.02338	5.7
143.04935	0.7
145.02859	1.4
147.04362	0.5
148.01555	1.8
149.02370	2.1
151.00275	4.2
157.02971	0.5
157.06445	0.7
159.04514	0.6
161.02344	3.6
163.00359	0.5
169.01353	0.4
171.04436	1.2
172.05180	0.6
173.05977	0.7
174.03183	0.7
175.03929	2.7
177.01819	0.5
182.03525	0.4
183.04391	1.1
183.13817	0.6
185.06017	2.1
186.06778	0.5
187.03894	0.8
196.05173	0.8
197.06024	1.4
198.03104	0.5
199.03915	4.6
200.04581	0.6
201.01840	1.0
201.05505	0.8
202.06316	0.8
209.06065	0.6
211.03912	3.2
211.13333	7.8
212.04362	0.5
213.01912	1.2
213.05495	3.5
214.06221	1.5
217.05003	1.3
223.03928	0.9
224.04683	1.0
225.05513	3.2
226.06291	3.0
227.03427	4.8
228.03925	0.6
229.05045	0.8
229.74907	0.4
239.03490	0.4
241.05009	4.2
241.08629	0.4
242.05820	1.8
243.02975	0.5
252.04292	1.3
253.05045	3.6
255.02979	8.3
256.03311	0.6
257.04263	1.7
267.03064	0.5
268.03702	1.0
269.04587	5.1
270.05319	100.0
271.05679	7.2
284.26746	1.2
285.04019	68.6
285.07642	44.6
285.20612	0.7
286.04355	5.2
286.08014	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48302	0.5
59.01243	2.4
63.02267	1.0
65.00175	2.3
68.55499	0.5
70.98883	0.5
70.99226	1.0
72.99191	0.5
75.38796	0.4
78.95773	7.3
83.01247	1.2
89.82870	0.5
91.01765	28.8
93.03352	0.5
95.01266	2.3
102.71214	0.5
102.71931	0.5
106.04105	0.7
107.01248	3.5
108.02055	8.6
109.02872	0.7
121.02834	0.9
123.04428	1.6
126.12589	0.5
133.02843	15.8
133.48924	0.5
134.03627	78.3
135.00769	20.5
135.04044	2.1
136.01181	0.5
143.07018	0.5
148.00345	0.7
148.01556	17.8
149.02373	4.2
149.05978	26.6
150.06267	1.1
151.00255	5.1
153.01837	36.2
154.02191	1.1
159.04422	0.5
160.01578	1.0
161.02356	1.7
172.05119	0.7
173.02370	0.6
174.03098	1.4
174.99184	0.6
175.03940	3.7
180.00551	22.8
181.00873	0.8
183.13803	0.8
185.06067	0.5
187.03877	0.6
197.06030	0.8
199.04008	2.8
200.04616	1.1
201.01819	1.6
210.71036	0.5
211.04057	0.7
211.13330	5.4
213.05522	1.0
214.02699	0.5
215.03481	1.3
217.04977	1.3
223.04034	0.7
225.05511	1.3
226.06279	1.6
227.03444	1.8
241.05040	2.1
242.02090	0.8
242.05437	0.5
243.06587	1.3
252.04292	0.6
253.04967	0.9
256.06097	1.0
257.04562	1.0
269.04517	7.2
270.05298	19.3
271.05701	1.0
271.08441	0.8
284.26794	2.9
285.04086	56.5
285.07687	100.0
285.20746	1.6
285.27097	1.3
286.04416	4.2
286.08023	6.9
286.10837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	0.2
75.36758	0.2
78.95773	3.5
95.01281	1.2
107.01311	0.5
108.02106	0.2
109.02850	2.3
119.63625	0.2
121.02836	0.9
123.00767	1.9
123.04382	0.3
124.01563	2.2
124.42078	0.2
133.02849	4.9
136.01564	3.4
137.02344	3.2
145.02881	0.8
148.01556	2.2
149.02301	1.4
151.00252	0.9
157.06398	0.2
159.04459	0.2
161.02330	2.5
163.66664	0.2
164.86133	0.2
166.63419	0.2
169.06497	0.3
171.04460	0.4
172.05167	0.4
173.06041	0.4
175.03871	0.7
177.01921	0.2
181.30956	0.2
183.04442	0.4
185.06038	0.9
186.06750	0.4
187.03967	0.5
196.05156	0.3
197.06052	1.2
199.03914	1.7
200.04771	0.5
201.01854	0.3
201.05540	0.6
202.06215	0.6
209.06073	0.6
211.03946	2.1
211.13353	1.0
213.01889	0.6
213.05469	2.0
214.06265	1.1
215.03407	0.2
217.04921	0.4
223.03987	0.3
224.04742	1.1
225.05495	2.9
226.06264	1.8
227.03474	3.7
228.04265	0.4
241.05070	4.4
242.05748	1.4
252.04216	1.1
253.04971	1.8
255.03001	7.7
256.03336	0.7
269.04547	3.3
270.05334	100.0
271.02744	0.4
271.05682	7.0
284.26581	0.7
285.04099	13.3
285.07687	34.6
285.27045	0.3
286.04446	1.2
286.08002	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.3
63.02264	3.1
64.02579	0.2
65.00195	2.7
71.12263	0.3
71.12602	0.2
81.03322	0.3
83.01255	1.8
105.03338	0.8
107.01276	4.1
108.01548	0.3
109.02845	1.3
117.03356	0.2
121.02847	1.5
123.04386	0.2
132.02039	0.5
133.02846	19.9
134.03235	0.8
135.04337	0.4
143.04906	0.6
147.04413	0.3
148.01598	0.2
148.59204	0.2
149.02338	3.4
151.00267	5.7
151.03883	0.2
152.00644	0.2
154.04068	0.3
155.04871	0.2
159.04471	0.2
163.11298	0.2
169.01367	0.3
169.06497	0.3
171.04425	0.6
173.02419	0.3
173.05962	0.3
174.02946	0.2
175.02477	0.3
175.03922	4.4
177.01823	0.6
185.05933	0.7
187.03868	0.6
189.05463	0.4
197.06015	0.5
198.03128	0.7
199.03937	3.7
201.01871	1.2
210.21324	0.2
211.03975	0.6
212.04625	0.3
213.05539	0.6
215.03416	0.8
217.04965	2.2
218.04950	0.2
223.03902	0.5
225.11320	0.4
226.02710	0.2
226.96027	0.2
227.03609	0.2
228.03893	0.4
229.04985	0.6
239.03430	0.8
240.04146	0.3
241.04987	1.1
242.01968	0.2
243.02910	0.9
255.03076	0.4
256.03479	0.3
257.04416	1.4
267.02829	0.4
268.03812	0.2
284.03143	0.3
284.26819	0.5
285.03998	100.0
286.04352	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.21575	0.2
59.01247	0.5
63.02254	1.0
65.00189	3.0
67.01754	0.4
81.03315	0.3
83.01248	1.7
86.38731	0.3
93.03328	1.9
95.01261	1.0
107.01266	4.4
108.02112	0.3
109.02844	1.0
111.00782	0.5
117.03341	3.5
119.01302	0.3
119.04907	0.8
121.02830	2.3
123.00772	1.5
123.04391	0.3
125.02332	0.6
132.02029	0.6
133.02840	21.2
134.03183	0.8
135.04443	0.4
136.98671	0.4
137.02333	2.2
139.00267	0.7
143.04901	0.9
145.02844	0.7
147.00780	0.9
147.04353	0.5
148.01526	0.7
149.02332	3.0
150.99120	0.5
151.00266	7.3
155.04866	0.3
159.04379	0.3
161.02319	0.8
163.00294	1.2
163.03888	0.9
164.01006	0.4
165.01855	6.3
166.99731	0.4
167.04953	0.6
169.01378	0.4
169.06500	0.7
171.04419	1.5
173.06020	0.4
175.03928	3.9
177.01801	0.5
183.04398	0.4
185.06009	1.3
187.03972	1.3
190.99768	0.4
192.00533	0.6
194.84383	0.3
195.04411	0.7
196.05223	0.4
197.06003	1.0
198.03183	0.8
199.03940	3.7
201.01886	1.3
201.05521	0.4
211.03918	1.0
211.13438	1.5
212.04538	0.4
213.05481	3.2
215.03403	1.1
217.05002	2.2
223.03934	0.8
227.03464	0.8
229.04988	1.1
229.40968	0.3
239.03490	1.5
240.04208	1.8
241.04994	5.1
242.05557	0.8
243.02936	1.1
255.02950	0.6
257.04514	3.8
258.04654	0.3
267.02866	1.8
268.03702	2.7
269.04184	0.4
270.05280	2.7
284.26788	0.4
285.04019	100.0
286.04355	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	285.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33374	0.2
60.07455	0.2
63.02258	1.4
65.00193	3.6
69.29728	2.2
83.01255	1.5
83.30616	0.2
93.03312	0.2
105.03349	0.9
107.01265	5.9
108.01591	0.3
116.04241	0.2
121.02873	1.1
132.02069	0.8
133.02838	31.8
134.03171	1.1
143.04846	0.3
149.02344	3.4
151.00262	8.1
155.09982	0.2
157.06450	0.3
171.04428	0.8
173.02342	0.3
174.03189	0.3
175.03908	5.3
177.01823	0.4
185.05992	0.5
189.05452	0.5
197.05984	0.5
198.03148	0.7
199.03932	4.0
201.01860	1.6
211.03911	0.3
213.05426	0.9
215.03471	0.6
217.04977	2.0
223.03964	0.3
229.04936	0.4
239.03416	0.4
240.04210	0.3
241.05042	0.9
243.02872	0.9
257.04413	0.5
267.02863	0.5
285.04013	100.0
286.04367	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	285.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15622	0.2
56.54286	0.2
59.01237	0.9
63.02276	3.3
64.42802	0.3
65.00188	2.7
69.32337	2.8
70.21873	0.3
83.01253	1.6
98.20593	0.7
105.03352	0.4
107.01268	3.2
109.02814	1.6
121.02824	1.3
133.02853	16.5
134.03198	0.4
147.04440	0.4
149.02357	2.6
151.00261	5.4
151.03862	0.4
152.00713	0.3
169.06541	0.3
171.04428	0.8
173.02397	0.3
175.03938	3.4
177.01857	0.6
185.05956	0.8
189.05545	0.3
195.04323	0.5
197.06056	0.5
198.03162	0.6
199.03955	3.2
201.01878	0.9
211.03912	0.5
213.05446	0.9
215.03441	0.4
217.04967	1.3
228.03902	0.5
229.04907	0.3
239.03458	0.7
241.05031	1.3
243.02950	0.8
257.04129	0.9
263.90329	0.3
267.02911	0.4
285.03995	100.0
286.04355	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	285.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.2
59.24435	0.1
61.64398	0.1
63.02266	2.5
65.00185	1.3
65.67080	0.1
68.24978	0.1
71.58466	0.1
73.13103	0.1
83.01254	0.6
88.70994	0.1
89.00217	0.3
89.03843	0.1
91.01762	1.1
93.03342	0.3
95.01252	0.2
103.12106	0.1
104.02552	0.1
105.03340	0.1
106.08581	0.1
107.01263	2.2
108.02090	0.2
109.02843	0.6
115.05431	0.1
117.03330	0.1
119.01270	0.1
119.04902	0.2
121.02831	1.0
123.00714	0.1
123.04420	0.7
124.29976	0.1
125.02308	0.1
130.04105	0.1
131.04924	0.1
132.02031	0.3
133.02846	3.3
133.55806	0.1
134.03165	0.1
135.00769	0.7
135.04395	0.4
139.03931	0.6
139.05487	0.2
141.03326	0.1
141.06982	0.3
143.03862	0.1
143.04924	0.6
145.02873	0.3
145.06490	0.2
146.03603	0.2
147.00815	0.2
147.04448	0.6
148.01555	1.1
149.02348	4.7
150.02948	0.1
151.00264	1.3
151.03897	0.7
151.05557	0.1
153.01820	0.2
154.04070	0.1
155.04941	0.2
157.02866	0.2
157.06473	0.6
158.03630	0.2
159.04430	0.4
161.02385	0.2
161.05997	0.2
163.00351	0.1
165.04475	0.1
165.05908	0.1
167.04930	0.9
169.01416	0.1
169.02771	0.1
169.06584	0.6
170.03639	0.3
171.04427	1.1
172.01563	0.1
172.05171	0.1
173.02435	0.5
173.05962	0.4
174.03073	0.4
175.03929	1.4
176.01059	1.3
176.04214	0.1
176.54692	0.1
177.01840	1.5
177.05310	0.1
180.05757	0.2
182.03619	0.2
183.04440	0.7
183.37384	0.1
184.05122	0.3
185.02457	0.1
185.04453	0.1
185.06001	2.0
186.03078	0.1
186.06328	0.1
187.03893	0.8
188.04631	0.2
189.05453	0.7
195.04434	0.8
196.05214	0.7
197.02373	0.1
197.06039	0.6
198.03131	0.6
199.03931	1.2
201.01863	0.3
201.05455	0.3
202.02699	0.1
210.03185	0.1
211.03925	1.4
211.13475	0.1
212.04694	0.7
213.01987	0.1
213.05473	1.5
214.02608	0.4
215.03450	0.7
216.04039	0.1
217.05011	1.4
218.05396	0.1
223.04076	0.2
224.04578	0.3
225.01735	0.1
226.02660	0.2
227.03448	1.4
228.03918	0.3
229.05011	5.0
230.05354	0.3
239.03462	0.8
240.04233	1.0
241.05005	1.1
242.02133	1.7
242.04810	0.1
243.02852	0.7
247.29245	0.1
255.02937	0.8
256.03683	0.7
257.04559	6.8
258.04901	0.5
267.02884	0.4
268.03845	0.6
270.01782	0.1
270.05219	0.3
283.02475	0.6
284.03189	0.5
284.26917	0.2
285.04028	100.0
286.04379	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49476	1.2
59.01250	100.0
63.02253	1.1
63.22516	1.1
69.54314	8.9
71.01241	1.3
74.47426	1.1
98.19727	2.0
121.25976	1.2
201.95245	1.2
255.02953	4.6
256.03629	1.9
261.57504	1.1
283.02533	3.0
283.05948	2.0
283.26419	19.1
284.03156	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	283.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94614	1.9
59.01249	50.0
59.31835	1.8
63.02253	2.4
69.25893	5.4
69.26297	15.1
75.50372	1.7
79.33556	2.1
80.96449	1.8
83.29689	1.7
85.52958	1.7
90.83992	1.8
93.03307	4.5
94.85178	2.5
96.95859	3.6
98.20579	3.1
117.03368	6.4
121.02833	2.0
132.13809	1.9
136.25264	2.1
137.02327	2.5
146.03563	2.1
148.91714	2.1
163.00291	3.0
166.73277	1.9
168.81422	1.8
179.10690	3.5
183.04498	2.9
211.03851	3.0
227.03394	3.4
239.03520	3.0
240.04106	2.3
255.02972	23.6
256.03571	3.2
267.02972	2.9
268.03766	8.0
283.02438	15.9
283.06082	31.7
283.15509	3.0
283.26401	100.0
284.03192	14.4
284.06271	4.3
284.26788	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	283.0611
Annotation	Acacetin
Peak:m/z	Relative Intensity
56.41297	0.3
57.83929	0.3
59.01240	1.7
67.24399	0.3
71.01273	0.6
89.02331	0.4
91.01752	1.9
101.02360	0.8
108.02103	1.0
132.02074	0.7
133.02898	0.6
135.00780	4.7
147.00761	0.3
148.01558	5.8
148.02640	0.6
151.00281	0.4
153.01840	2.5
156.05727	1.3
160.01611	1.3
161.02396	0.3
167.04985	0.4
167.78687	0.3
171.04480	0.5
183.04468	2.5
184.05199	6.3
185.05682	0.6
187.03854	0.3
195.04399	3.9
196.05226	2.0
198.03152	0.6
211.03931	21.7
212.04633	3.2
212.57991	0.4
213.05292	0.3
215.03578	0.4
223.03960	2.6
224.04695	3.4
225.05240	0.5
227.03401	0.8
239.03435	13.6
240.04175	9.4
241.04628	0.7
251.03502	1.1
251.57289	0.4
255.02934	7.3
256.03433	0.9
267.02933	5.6
268.03732	99.5
269.04059	8.2
283.06076	100.0
283.26376	23.8
284.03183	1.4
284.06418	8.3
284.26697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
57.51657	0.3
59.01254	1.7
69.37507	2.7
71.37692	0.3
75.89569	0.3
91.01794	0.6
107.01283	0.4
117.03345	0.3
132.02061	6.0
135.00758	2.0
143.58946	0.3
147.00832	0.4
151.00154	0.3
153.01868	0.7
167.04901	0.6
171.40787	0.3
180.05695	0.5
183.04430	0.5
184.05222	0.9
189.00165	0.3
190.02667	0.6
195.04515	2.3
196.05261	1.7
201.02402	0.5
211.03923	7.7
212.04677	2.4
223.03947	4.1
224.04684	3.7
226.02658	2.9
239.03452	17.8
240.04170	6.3
241.04790	0.5
250.02654	0.3
255.02994	0.5
267.02966	17.4
268.03748	100.0
269.04099	7.1
283.06104	91.7
283.19150	0.3
283.26422	7.0
284.06482	6.4
302.28247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.061
Annotation	Isooxoflaccidin
Peak:m/z	Relative Intensity
50.65546	0.4
51.72417	0.5
52.99735	0.5
53.22132	0.5
59.01246	10.0
66.09679	0.5
71.01260	1.8
79.25375	0.4
84.69274	0.5
85.02842	0.5
89.02334	1.3
101.02328	1.5
103.15308	0.5
107.01277	0.5
113.02326	1.1
119.03365	0.5
119.16483	0.4
121.02830	0.6
143.04950	0.5
161.04430	0.9
167.04887	0.9
170.03595	0.5
171.04469	0.6
172.05202	2.3
183.04445	0.7
195.04425	3.6
196.05211	9.9
198.03198	0.9
201.02449	2.9
211.03931	3.9
212.04704	4.3
223.03894	0.8
223.08099	0.5
224.04764	1.4
239.03406	4.0
240.04221	100.0
241.04558	6.3
255.02953	6.0
255.06583	27.4
255.09297	1.1
256.06897	1.5
265.18326	0.5
267.02780	0.7
268.03726	15.8
269.03979	1.3
283.02567	3.6
283.06070	43.3
283.19638	4.2
283.26385	71.5
284.03018	2.2
284.06396	3.3
284.26764	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	283.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.5
63.02261	1.6
65.00220	0.9
69.30833	0.8
69.31255	2.1
71.04900	0.3
75.33733	0.3
83.01286	0.5
89.02370	0.5
91.01771	1.6
92.58632	0.3
107.01257	1.9
109.70522	0.3
117.03378	0.7
119.01266	8.3
120.01630	0.3
121.02843	3.3
127.05487	0.3
133.02875	0.9
135.00754	1.7
139.05513	0.5
141.03339	0.7
143.04927	0.7
145.02888	0.9
148.01567	0.7
151.00266	3.8
153.01860	1.0
155.04930	1.5
157.02907	0.5
159.04440	1.0
167.04962	0.7
169.02876	1.0
171.04440	1.1
182.03566	1.3
183.04407	5.0
184.05138	0.5
185.02380	1.5
187.03922	1.5
189.01984	0.4
195.04436	0.7
198.03125	0.7
199.03951	1.4
211.03944	3.9
212.04709	0.4
213.01886	0.6
215.03371	0.3
223.04015	0.3
226.02724	0.8
227.03462	2.8
239.03441	1.2
240.04245	1.3
255.02951	100.0
256.03287	6.8
267.02914	0.8
268.03748	9.5
269.04092	0.8
283.02448	45.0
283.06021	8.3
283.15759	0.7
283.19302	0.7
283.26401	17.8
284.03027	6.5
284.06305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0454
Annotation	Flaccidinin
Peak:m/z	Relative Intensity
59.01248	4.0
71.01212	0.7
73.02812	0.3
73.70854	0.2
79.82008	0.2
80.63091	0.3
85.02792	0.2
89.02254	0.4
95.01207	0.4
101.02263	0.7
113.02311	0.3
121.02781	0.3
135.00783	0.3
161.04454	0.5
170.72458	0.2
182.03596	0.7
184.05095	0.3
194.03667	0.5
197.02245	0.3
210.03090	1.5
222.03220	0.4
237.01903	0.8
238.02611	0.9
265.01385	1.0
266.02173	100.0
267.02493	7.8
267.05396	0.4
281.04535	32.6
281.17575	0.5
281.24820	0.9
282.04861	2.2
299.39334	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0247
Annotation	7,10,12-Trihydroxycoumestan
Peak:m/z	Relative Intensity
50.71926	0.4
54.22400	0.4
59.01254	3.1
63.02273	2.0
63.10548	0.3
65.00218	1.3
69.36993	1.9
69.37415	1.2
71.01273	0.7
71.18709	0.4
83.01297	0.5
83.04955	0.3
85.02836	0.4
89.02345	0.6
91.01781	1.7
101.02370	0.5
107.01262	2.7
112.55965	0.4
117.03384	0.5
117.23914	0.3
119.01271	6.6
121.02824	3.2
133.02859	0.6
135.00777	1.8
135.42140	0.3
139.05463	0.5
141.03435	0.3
143.04968	0.6
143.54150	0.4
145.02844	0.7
146.17923	0.3
147.04312	0.5
148.01578	1.1
151.00275	3.2
153.01823	1.1
155.04948	1.4
159.04460	0.7
167.04951	1.1
169.01422	0.6
169.02890	1.4
171.04498	1.0
182.03636	0.9
183.04425	4.9
184.05229	1.0
185.02341	1.1
187.03903	1.3
193.03067	0.4
195.04381	0.6
196.05243	0.6
198.03006	0.6
199.03987	1.1
200.04570	0.4
209.11891	0.4
210.03094	0.5
211.03938	5.3
212.04631	0.7
213.01810	0.5
213.04132	0.4
224.04755	0.6
226.02689	0.7
227.03485	2.5
236.08142	0.4
239.03531	1.9
240.04204	1.4
247.31293	0.4
250.27379	0.4
255.02959	100.0
256.03357	6.6
267.02963	1.0
268.03751	11.9
283.02460	51.5
283.06036	11.7
283.15555	0.9
283.26401	26.4
284.03125	6.5
284.06268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1964
Annotation	Chabrolol B
Peak:m/z	Relative Intensity
50.02390	1.9
52.89687	1.7
59.01252	8.0
60.42001	1.5
71.01249	3.9
84.97952	1.8
93.23298	1.6
96.95841	2.3
101.02309	2.6
111.08051	1.9
181.12242	21.0
183.52397	1.9
191.10599	2.2
197.08788	1.6
209.11765	11.1
242.11606	2.9
261.18542	12.5
273.72800	1.7
279.19629	100.0
279.22876	5.6
280.20020	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
57.59076	0.6
174.29375	0.6
240.75610	0.8
279.23276	100.0
280.23608	7.8
289.35095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
58.66146	0.5
59.01252	1.3
69.72137	0.4
69.87971	2.8
71.01244	0.6
98.20564	0.5
161.91898	0.5
173.10553	0.5
189.29424	0.5
200.32397	0.4
233.22586	0.5
277.21716	100.0
278.22113	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.61475	0.2
59.01252	2.1
62.26844	0.2
71.01244	0.7
83.04887	0.2
90.73014	0.2
99.90485	0.2
113.05956	0.2
127.07508	0.4
205.19620	0.2
233.22690	0.8
259.20618	0.6
275.20074	0.3
277.21719	100.0
278.18982	0.4
278.22073	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00950	0.2
59.01250	3.3
64.28962	0.2
69.32556	1.2
71.01251	0.9
73.53100	0.1
81.53374	0.1
81.95204	0.2
113.02235	0.2
121.02818	0.2
127.07560	0.3
133.04938	0.2
194.92741	0.4
205.01265	0.1
205.15915	0.5
233.19046	0.2
233.22638	0.5
259.20706	0.3
275.20212	0.4
277.18488	4.4
277.21704	100.0
278.18600	0.5
278.22040	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	2.0
70.88869	1.2
71.01244	0.6
71.77343	0.4
152.85342	0.4
157.06241	0.5
223.35611	0.4
233.22693	0.5
275.20013	0.7
277.21689	100.0
278.22031	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2012
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01237	10.9
71.01249	2.3
90.89237	1.7
98.20576	4.3
177.16464	1.9
188.88853	2.0
200.30737	2.0
231.21123	8.5
232.27974	2.2
242.57010	1.9
275.20123	100.0
276.20389	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	273.0768
Annotation	Phloretin
Peak:m/z	Relative Intensity
57.03326	2.1
59.01243	1.3
63.02263	0.5
64.81440	0.3
65.00191	3.5
67.11356	0.3
68.99688	0.6
69.03320	0.3
69.28563	3.8
69.28881	0.3
71.01263	0.3
78.95792	0.5
80.77940	0.4
81.03331	27.1
82.03679	0.6
83.01256	8.7
90.89744	0.4
93.03340	10.0
93.03911	0.6
94.03658	0.4
95.01271	0.7
95.04925	1.1
98.19801	0.5
99.04431	0.6
107.01285	3.1
108.02064	0.7
110.98385	0.4
119.04918	21.8
120.05245	0.9
121.02825	0.5
122.03609	0.4
123.04412	44.5
124.04734	1.5
125.02339	12.4
135.04431	1.4
136.01547	0.6
137.02396	0.5
145.06441	0.4
147.04434	0.4
149.02376	0.9
151.00279	5.6
152.01006	0.6
163.07591	0.6
166.02626	1.0
167.03412	100.0
168.03761	3.5
169.06512	0.7
171.04453	0.8
172.57764	0.3
179.03423	9.1
180.03818	0.4
185.05991	0.4
187.07526	0.8
189.05525	4.3
193.08475	0.4
211.07610	0.8
213.01273	0.3
229.08688	1.3
255.06590	0.9
255.42593	0.3
256.06958	0.4
258.05240	0.4
273.07693	63.7
274.08038	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	273.0767
Annotation	Phloretin
Peak:m/z	Relative Intensity
50.81346	0.2
57.03319	2.5
59.01238	0.7
63.02260	0.4
64.55270	0.2
65.00183	3.1
67.01762	0.3
68.99687	0.4
77.13554	0.2
81.03325	36.8
82.03658	0.8
83.01247	9.4
91.56889	0.2
93.03332	5.4
94.03661	0.4
94.81229	0.2
95.01249	0.4
95.04879	0.7
98.19780	0.6
99.04397	0.7
105.14231	0.2
107.01267	3.1
108.01580	0.3
111.04362	0.4
117.92136	0.2
119.04910	33.6
120.05235	2.0
121.02847	0.5
121.05524	0.4
122.03643	0.3
123.04402	45.2
124.01551	0.5
124.04726	1.5
124.44883	0.2
125.02325	14.7
126.02625	0.6
135.04399	0.9
145.06465	0.6
146.12715	0.2
147.04393	1.0
148.03908	0.4
149.02347	1.0
151.00267	5.7
152.00623	0.9
153.00795	1.2
163.07533	0.5
166.02626	1.2
167.03400	100.0
168.03735	3.5
169.06528	0.4
169.53000	0.3
171.04437	0.5
179.03429	4.7
185.05972	0.4
187.07553	1.3
189.03778	0.3
189.05492	4.9
190.05925	0.3
211.07550	0.3
229.08632	2.0
230.09050	0.3
235.77652	0.3
255.06613	0.5
273.07663	72.6
274.07986	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	271.228
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.61330	0.2
51.22932	0.2
53.84344	0.3
59.01249	0.6
63.40335	0.3
76.15362	0.2
83.04898	0.3
89.09370	0.2
99.00691	0.3
100.02380	0.3
108.02039	0.8
109.02834	0.5
109.75123	0.2
112.60898	0.3
119.04997	0.3
125.02330	0.7
155.18449	0.3
162.98541	0.3
211.92448	0.3
223.68053	0.3
225.22182	4.5
226.22417	0.3
229.32948	0.4
229.35268	0.3
241.05002	0.4
253.21696	1.4
256.03918	0.3
269.21222	0.9
271.22791	100.0
272.23138	7.8
272.26096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2278
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
89.12025	0.2
100.40609	0.2
109.02844	0.2
125.02365	0.3
183.72871	0.2
223.20615	0.3
225.22189	4.5
226.22432	0.3
253.21719	1.6
256.03674	0.2
269.21237	0.8
271.22775	100.0
272.23120	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	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.18616	0.6
56.08368	0.6
59.01244	0.6
83.06300	0.9
84.32438	0.6
89.90711	0.6
97.44656	0.7
110.70729	0.6
124.44157	0.7
125.02346	1.1
183.63202	0.6
223.20616	3.3
225.22177	58.1
226.22530	4.1
229.33525	1.1
253.21701	1.2
271.22769	100.0
272.23126	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0381
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
51.70786	0.2
52.54856	0.2
53.62969	0.2
62.96299	0.2
65.83973	0.2
66.95333	0.2
69.37443	1.8
78.95773	78.1
85.02821	0.4
96.95914	0.3
96.96836	5.6
99.00787	0.2
103.00248	0.4
110.98412	70.4
122.80821	0.2
125.02308	0.2
157.01173	0.2
223.00061	0.4
241.01149	22.6
242.01483	0.7
242.92947	0.2
273.03787	100.0
274.04147	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	271.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96644	2.3
56.68143	2.7
59.01231	4.8
63.63496	2.9
69.03349	3.4
71.01243	7.2
71.06303	5.1
71.06641	5.7
72.99194	2.9
73.34467	2.6
83.01208	2.8
83.04909	3.7
99.00739	8.9
109.06498	7.2
112.98651	6.4
125.02370	3.9
125.09552	3.1
142.99733	3.6
153.05489	7.2
161.04626	3.3
174.01602	100.0
176.16101	2.6
193.04933	5.8
211.06134	3.7
218.75357	2.5
225.96295	2.6
271.08148	12.4
271.10806	5.0
271.22638	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	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00767	0.1
65.00212	0.3
69.34525	0.1
80.52519	0.2
91.01773	14.2
92.02124	0.3
107.04911	0.4
109.02852	0.6
109.08818	0.1
117.03347	0.2
120.01921	0.1
134.03648	1.5
135.00797	21.1
135.04417	100.0
136.01144	0.8
136.04745	3.3
153.01843	27.3
154.02248	0.8
161.02325	0.6
165.01900	0.1
170.54495	0.1
183.04076	0.1
199.04021	0.1
226.58148	0.1
253.05042	1.5
254.05406	0.1
271.06122	27.2
272.06448	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	271.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02263	9.7
65.00192	16.9
69.29431	4.8
69.29837	1.2
74.89019	0.5
78.20978	0.5
83.01253	10.5
83.01717	1.0
93.03329	14.8
98.20546	1.2
107.01266	26.8
109.02819	0.8
117.03326	1.2
119.04910	71.3
120.05249	2.7
121.02815	1.0
125.02317	1.3
133.02875	0.6
134.29147	0.5
135.04417	1.1
143.04846	0.7
145.02844	1.6
149.02353	0.7
151.00264	65.8
152.00626	2.9
161.05984	1.6
165.01859	3.6
165.05507	0.7
169.01328	4.2
177.01855	10.2
178.02232	0.7
185.06047	1.4
187.03964	2.1
225.63408	0.6
227.07054	1.3
271.06100	100.0
271.22543	0.9
272.06390	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	271.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87511	4.6
52.21222	5.4
52.62557	4.7
69.25357	13.3
69.25761	39.4
71.01250	5.8
72.99177	5.9
99.00748	9.4
106.28556	5.1
109.02829	5.3
109.06506	7.9
112.98692	7.4
128.03429	13.1
130.35846	4.4
133.15038	4.4
139.07643	4.9
143.04498	18.7
148.42938	5.8
153.05441	7.3
174.01610	100.0
175.02026	6.5
193.04965	6.5
241.05037	5.3
261.03284	6.6
271.05917	9.5
271.19321	5.6
271.22781	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	271.061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61826	0.1
62.55774	0.1
65.00204	0.3
67.01743	0.1
69.61806	0.3
69.62212	0.3
85.99654	0.1
91.01765	14.3
91.05401	0.1
92.02117	0.3
98.19876	0.2
106.04176	0.1
107.01307	0.1
107.04878	0.6
108.02074	0.1
109.02837	0.5
117.03336	0.2
133.02850	0.3
134.03636	1.9
135.00793	16.1
135.04402	100.0
135.62759	0.1
136.01100	0.4
136.04745	3.1
137.02356	0.1
143.89729	0.1
148.01611	0.1
153.01828	29.1
154.02174	0.9
161.02330	0.7
165.01836	0.4
225.05508	0.2
232.81764	0.1
234.83151	0.1
251.42731	0.1
253.05048	1.3
256.03873	0.1
271.06091	24.6
271.22809	0.3
272.06393	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	269.1294
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
57.51122	0.6
59.01252	1.7
62.96270	2.8
71.57494	1.2
72.24400	0.7
82.21254	0.6
89.67452	0.7
90.96996	0.7
101.31972	0.6
103.90392	0.6
105.03293	0.8
107.01253	1.2
117.03333	4.6
121.02840	0.9
125.95532	0.7
142.92285	0.6
149.02483	0.8
151.00281	2.1
152.59065	0.7
154.06165	0.7
163.22238	0.6
163.52742	0.7
164.93039	0.8
166.91032	1.1
186.95523	3.5
197.78362	0.7
209.04433	0.7
210.09196	1.4
211.08659	10.5
211.13374	0.8
212.08853	0.8
225.10278	13.6
225.22176	1.2
226.10938	2.4
226.93146	1.4
239.08162	6.8
241.13472	0.8
251.11951	0.7
253.09790	2.8
254.10570	39.5
255.10934	2.8
269.04596	24.0
269.12939	100.0
269.17673	3.0
269.21188	15.0
269.24747	4.7
270.04907	2.1
270.13290	7.2
270.21448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11520	2.1
55.01746	9.0
57.03333	10.8
58.00461	3.1
59.01249	46.0
66.48957	2.0
71.01251	100.0
71.57056	2.5
72.99170	6.3
73.02819	35.8
74.02360	2.6
75.00743	2.6
83.01249	19.1
85.02816	48.7
87.00745	7.4
89.02294	2.3
92.65766	2.1
95.01272	8.4
96.96847	7.3
97.02821	2.9
99.00745	13.9
99.99435	2.3
101.02320	73.0
108.80415	2.5
113.02322	31.1
125.02309	2.9
129.01921	2.0
140.02473	2.1
143.03467	2.3
159.02901	7.2
161.04474	21.3
163.21605	2.2
190.59143	2.1
269.04538	3.0
269.10419	6.1
269.21198	22.4
269.24551	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	269.0819
Annotation	9-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Peak:m/z	Relative Intensity
59.01244	1.0
62.96276	3.6
63.02282	0.3
63.99427	0.3
70.03786	0.5
70.04205	1.3
71.01243	0.5
81.67645	0.3
82.42640	0.3
83.01267	0.5
85.02859	0.5
95.01283	0.5
98.19833	0.4
107.01312	0.5
108.02104	1.6
108.40214	0.3
109.78578	0.3
111.96136	0.3
117.03350	2.6
117.94533	0.3
121.02863	2.0
123.04376	0.3
132.02069	0.8
133.02858	0.4
145.02847	1.4
147.10854	0.3
149.02350	1.0
151.00281	0.9
151.22289	0.4
159.04407	0.5
164.93015	0.8
166.90993	1.0
171.04494	0.6
181.06473	0.8
183.04419	0.9
184.05252	0.6
184.92068	0.6
185.06013	1.9
186.06779	2.0
186.95528	2.3
195.04391	0.9
197.05974	0.8
198.06815	0.6
201.05499	0.3
208.05229	0.3
209.06020	5.5
210.06795	5.5
211.03966	4.4
212.04614	1.1
219.38261	0.3
225.05513	5.5
226.06232	2.3
226.93156	1.1
236.04625	0.4
237.05562	0.5
239.03484	2.9
253.05051	6.6
254.05826	100.0
255.06166	6.6
269.04639	10.1
269.08182	54.1
269.12988	1.9
269.21207	6.6
269.24826	1.6
270.05209	0.7
270.08517	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	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	10.8
57.03324	7.6
58.00458	3.0
59.01247	49.7
59.40858	0.9
60.26546	0.8
61.52618	0.8
63.91957	0.8
69.03328	0.9
69.29704	4.6
69.30128	3.2
71.01249	100.0
72.01576	1.6
72.99176	5.8
73.02817	36.4
73.35081	1.1
75.00750	1.6
83.00791	1.7
83.01256	17.7
85.02820	49.5
85.99961	1.0
86.03161	1.1
87.00745	4.8
89.02319	5.0
95.01242	6.7
97.02803	2.4
98.20532	1.7
99.00757	13.3
99.80456	0.8
101.02318	79.3
107.04916	2.0
111.00774	1.1
113.02322	39.5
114.02628	1.2
125.02323	1.1
129.01837	1.6
135.18871	0.8
139.00243	0.8
143.03334	1.8
159.02881	7.4
161.04466	22.6
205.03419	1.1
256.29544	0.8
269.04614	4.3
269.07602	1.3
269.10324	7.1
269.21188	4.8
269.24582	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	269.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25384	0.1
59.01240	0.6
63.02272	1.7
65.00194	4.2
70.46621	0.2
70.47006	0.2
71.01243	0.2
76.53457	0.1
77.03860	0.1
79.01798	0.1
81.03320	0.3
83.01259	1.7
88.13347	0.1
93.03322	0.5
95.04874	0.1
95.47950	0.1
103.83428	0.1
105.03332	1.1
107.01272	7.1
108.01584	0.2
117.03350	24.0
118.03666	0.9
121.02849	1.7
121.06456	0.1
123.00655	0.1
133.02826	0.2
135.04465	0.2
137.02344	0.2
139.03957	0.2
141.03375	0.2
145.02777	0.1
149.02351	9.5
150.02669	0.3
151.00278	10.5
152.00598	0.4
155.04955	0.1
157.06491	0.3
159.04466	2.0
161.02351	0.4
167.04956	0.1
169.01392	0.7
169.02676	0.1
169.06494	0.4
171.04356	0.2
180.05753	0.5
181.06506	1.9
182.03654	0.2
183.04439	1.9
184.04814	0.1
185.02344	0.4
196.05199	0.4
197.05986	0.8
198.03131	0.1
199.01036	0.1
199.03903	0.3
201.05504	2.1
213.05498	0.3
224.04741	0.5
225.05528	4.5
226.02626	0.1
226.05988	0.4
227.03464	1.8
228.03571	0.2
241.05132	0.6
253.04921	0.2
254.02156	0.2
254.02917	0.2
254.05818	2.6
255.06107	0.2
269.04556	100.0
269.21207	2.0
270.04907	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0457
Annotation	Apigenin
Peak:m/z	Relative Intensity
63.02271	1.5
65.00198	3.5
69.70970	0.6
81.03313	0.2
83.01260	1.8
93.03342	0.3
95.04850	0.1
103.96006	0.1
105.03337	1.0
106.71313	0.1
107.01276	6.4
110.88428	0.1
117.03350	22.5
118.03697	0.7
121.02847	1.6
123.04375	0.1
124.99019	0.1
133.02875	0.2
139.03915	0.2
141.03319	0.2
143.04933	0.1
148.01483	0.1
149.02356	9.0
150.02727	0.3
151.00282	10.2
152.00624	0.3
155.04904	0.1
157.06468	0.3
159.04436	2.0
160.04803	0.2
161.02368	0.1
168.05658	0.1
169.01292	0.3
169.06474	0.4
171.04384	0.1
180.05769	0.6
181.06514	1.5
182.03635	0.1
183.04454	1.6
185.02316	0.5
185.06020	0.1
195.04573	0.1
196.05241	0.3
197.06024	0.6
198.03139	0.1
199.03929	0.1
201.05498	1.9
213.05594	0.2
223.04214	0.1
224.04677	0.6
225.05524	4.3
226.05795	0.3
227.03459	1.9
241.05132	0.5
269.04553	100.0
270.04895	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	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
60.30077	0.1
63.02266	3.6
63.36952	0.1
64.99846	0.2
65.00189	3.0
66.00536	0.1
69.85839	0.4
81.03326	0.2
83.01254	1.2
89.00223	0.2
93.03341	0.7
98.20531	0.1
100.84742	0.1
105.03352	0.7
107.01268	4.5
108.01620	0.1
108.99262	0.1
117.03340	16.8
118.03667	0.6
121.02840	1.0
123.04343	0.1
130.73935	0.1
133.02792	0.1
135.04427	0.5
135.05298	0.1
139.03915	0.1
141.03322	0.1
142.27820	0.1
145.02815	0.1
147.00697	0.1
148.01503	0.1
149.02342	5.4
150.02632	0.3
151.00264	5.6
152.00577	0.2
155.04897	0.3
157.06476	0.3
158.03731	0.1
159.04417	2.6
161.02313	0.9
168.05615	0.1
169.06480	0.8
171.04471	0.2
173.05968	0.2
180.05736	0.5
181.06497	1.1
182.03642	0.2
183.04425	1.2
184.04672	0.1
185.02309	0.4
195.04427	0.2
196.05237	0.5
197.06012	0.9
199.03929	0.3
201.05536	1.5
209.02443	0.1
210.02982	0.1
213.05504	0.2
224.04727	0.4
225.05508	2.7
226.05869	0.2
227.03456	1.3
241.05078	0.2
268.03821	0.2
269.04529	100.0
270.04877	7.1
270.07892	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	267.1236
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03322	2.9
59.01249	100.0
63.40174	0.9
69.57504	2.7
69.57935	4.0
71.01244	1.9
71.04874	1.1
83.04911	1.1
87.00757	1.7
96.95903	1.1
98.19887	1.6
101.40915	1.0
105.04520	0.9
113.02316	1.7
134.03630	3.1
149.05988	2.4
161.13220	2.7
183.04216	1.0
189.31519	0.9
205.12289	1.1
207.10175	1.7
223.13342	40.8
224.13649	2.3
239.03455	9.2
245.56064	1.0
256.55206	1.0
267.02951	4.0
267.06787	1.1
267.12354	4.9
267.15564	1.8
267.19965	1.0
268.03683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.066
Annotation	Formononetin
Peak:m/z	Relative Intensity
59.01250	2.6
61.25675	0.4
62.36708	0.3
69.27589	3.3
71.01237	1.8
73.02821	0.4
74.25499	0.3
76.06176	0.4
78.45815	0.3
85.02831	0.8
85.72107	0.3
89.02336	0.6
91.01794	1.5
101.02351	1.2
108.02078	0.5
113.02340	0.6
132.02054	9.5
133.02495	0.4
135.00774	2.9
153.01883	2.0
161.04489	0.5
180.05696	0.5
190.32098	0.4
192.17354	0.3
195.04407	7.8
196.05095	0.8
208.05203	3.8
223.03931	20.9
224.04654	7.0
225.05153	0.5
239.03407	0.7
249.14845	0.4
251.03452	14.3
252.04231	100.0
253.04572	6.5
267.06592	93.8
268.03876	0.6
268.06906	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	265.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54865	1.3
57.03311	1.6
58.00470	2.7
59.01246	100.0
70.41840	3.5
71.01247	71.5
72.99181	5.9
73.02821	2.2
81.02742	1.3
83.01251	5.8
85.02815	14.7
87.00755	2.7
89.02309	76.1
95.01251	4.9
101.02312	41.2
102.02659	1.5
103.03883	3.7
113.02327	27.1
113.14593	1.4
118.53190	1.6
119.03385	31.7
131.03394	4.0
143.03363	2.2
161.04395	1.8
179.05490	2.3
265.09259	23.9
266.09702	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
55.01570	0.3
57.54809	0.3
59.01246	1.5
67.58823	0.3
80.15498	0.3
83.74187	0.3
96.95887	7.0
134.04634	0.3
163.03773	0.5
229.95493	0.4
247.20535	0.6
259.72388	0.3
265.15045	5.6
265.21695	100.0
266.22037	8.3
273.24741	0.3
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
57.03327	0.9
59.01249	1.6
61.86946	0.6
69.47577	5.0
70.02853	24.0
71.01262	5.5
72.00777	1.3
83.87392	0.8
86.02358	0.7
91.05407	5.3
91.37181	0.7
96.99194	6.5
114.01854	100.0
114.17193	0.9
115.02191	1.5
117.03342	9.5
117.06988	1.1
118.06506	1.1
121.02822	0.8
129.01831	3.1
129.44524	0.8
134.06006	24.8
135.04381	1.2
139.07547	0.9
140.07898	1.1
144.08083	1.8
146.04489	4.6
146.05983	1.5
151.07599	1.2
152.07869	1.5
153.09003	1.5
160.07590	2.5
188.07121	3.3
202.13023	0.8
204.11215	1.3
205.11923	1.7
220.14212	3.1
232.06097	11.3
237.14934	1.2
264.12903	0.7
264.16034	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
61.30950	1.1
69.62625	3.9
69.63038	3.0
83.01209	1.4
85.02828	1.2
86.85757	1.0
92.05370	1.2
93.03348	1.1
113.02357	2.4
132.02876	1.3
147.58730	1.1
157.53529	1.0
175.32042	1.1
216.82999	1.1
247.06920	1.2
263.12881	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	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.37052	0.3
59.01254	1.6
69.41660	0.3
71.01228	0.7
71.94694	0.3
73.02799	0.3
83.04905	0.4
84.45309	0.3
85.02846	0.4
98.20588	0.6
127.07526	0.4
130.28786	0.3
143.80621	0.3
219.21155	0.7
229.63676	0.3
245.19060	0.8
261.18585	0.5
263.20142	100.0
264.20490	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	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77341	0.9
58.47518	1.0
58.58181	0.9
59.01245	6.4
59.05053	1.0
60.59177	0.9
69.61471	7.6
70.02854	11.1
70.81183	1.0
72.04427	5.0
74.02343	100.0
74.15984	1.0
75.02667	1.3
81.25806	1.0
84.04422	1.7
98.02349	24.1
114.93965	1.1
116.03416	58.5
117.03807	1.2
127.34590	1.1
128.03442	5.5
132.04446	31.7
133.04848	1.1
144.04468	7.4
146.97658	0.9
173.07217	1.2
201.06627	12.3
216.71176	1.0
219.07700	3.0
219.12390	1.7
261.08789	24.0
262.09119	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	262.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04697	1.1
57.03311	4.9
59.01250	1.9
67.84713	1.1
69.03304	5.8
69.65511	7.9
70.02843	1.4
71.01238	4.8
72.00770	1.8
75.00732	1.6
82.02831	1.1
83.04906	1.3
85.02820	66.1
86.02361	1.2
86.03180	1.2
87.04382	4.7
94.02867	2.9
96.04420	100.0
97.02821	13.7
97.04732	2.7
98.02332	2.8
99.00753	6.1
108.04528	1.2
109.02829	1.7
110.02342	1.2
111.04376	1.8
112.03920	3.7
114.05456	1.3
115.03899	4.0
116.03331	1.1
126.05502	3.8
127.33266	1.0
128.03419	7.7
129.01820	23.1
135.02864	1.7
140.03445	7.9
141.01859	6.5
142.01297	3.4
144.02939	1.9
157.04887	1.2
158.04471	23.6
159.02885	3.5
172.02440	2.8
200.05559	4.2
201.04018	2.8
202.03511	3.1
219.05051	3.3
262.05643	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	257.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.9
56.32787	1.0
57.03317	6.9
59.01252	15.1
64.91534	1.1
68.07919	1.1
69.03324	4.6
71.01258	1.2
71.04890	19.2
73.02846	1.2
83.04892	2.3
95.04880	2.8
97.02827	5.1
97.06467	14.3
98.19781	4.6
99.00742	20.1
109.06459	2.8
111.87605	1.1
123.08047	10.8
125.09608	100.0
126.09971	5.3
135.08080	1.8
136.05273	1.2
142.02614	1.6
153.09111	6.1
153.12749	3.3
161.09589	1.8
163.11203	18.8
179.10678	3.7
181.12250	60.5
182.12556	2.6
197.11565	1.3
207.10188	35.2
208.10530	1.7
213.14951	1.7
225.11259	83.4
226.11592	4.2
229.09010	1.2
239.12744	3.4
243.12314	2.8
257.04407	3.9
257.13913	38.5
257.17664	2.0
257.23859	3.0
258.14264	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	259.0222
Annotation	L-Tagatose 6-phosphate
Peak:m/z	Relative Intensity
50.99565	2.9
59.01252	4.1
71.01226	3.8
71.56573	4.4
78.95770	100.0
79.61089	4.1
96.96829	77.3
102.98956	3.4
112.42761	3.6
112.98689	6.3
138.57645	3.8
193.40701	3.5
259.02185	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	259.0222
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
51.63702	0.2
51.71246	0.1
54.58705	0.2
62.96275	0.3
70.20261	0.7
71.01247	0.3
71.45818	0.1
78.95776	100.0
80.96371	0.2
96.96841	56.9
101.02309	0.4
101.32930	0.1
102.62740	0.2
138.97922	3.1
168.98988	1.3
171.00572	0.3
199.00078	1.8
214.66017	0.2
216.90584	0.4
223.00095	0.2
232.32547	0.2
241.01117	1.0
259.02225	28.1
260.02570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61965	2.4
53.99651	2.7
59.01244	2.3
61.26075	2.3
65.26744	2.0
71.07268	5.1
78.95774	5.4
83.04902	5.5
84.02031	2.5
96.96842	5.0
100.70954	2.6
101.55724	2.3
140.22461	2.1
147.94305	2.1
163.11214	5.7
165.12733	5.3
198.91135	2.8
209.11755	100.0
210.12115	7.3
227.12836	7.9
228.12895	2.4
231.03011	3.4
259.02228	4.1
259.06201	7.4
259.15698	2.4
262.04077	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	255.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75412	0.6
61.01709	0.8
63.20701	0.7
65.00237	1.9
67.51143	0.6
68.99742	1.0
69.03362	0.8
69.71230	3.4
69.71642	1.6
69.72309	0.7
69.80487	0.6
78.20601	0.7
81.03386	3.0
89.00207	0.8
95.01256	15.0
98.20514	1.4
107.01270	13.7
109.02821	4.3
110.00053	2.4
120.99235	1.9
121.02905	1.5
122.00059	1.2
123.00760	8.3
124.01622	1.1
137.02391	2.6
148.98724	1.7
149.99474	5.1
151.00264	43.7
152.00819	1.7
153.01828	7.9
165.00661	0.6
165.01807	3.7
165.99066	3.2
166.41049	0.6
169.01389	2.3
170.12814	0.7
176.98271	1.1
178.99721	3.4
180.99881	1.2
181.01334	8.5
183.02908	7.0
209.00847	16.2
210.01157	0.8
211.02440	3.2
237.00357	100.0
238.00711	6.4
247.22745	0.7
253.45544	0.7
255.01416	59.8
255.23265	32.4
256.01807	2.9
256.23505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.3
69.49386	3.2
70.02818	0.6
71.01259	6.6
72.00780	0.5
81.63468	0.4
88.03912	78.5
89.04247	1.7
89.58022	0.4
91.05406	2.5
93.03348	1.3
95.04812	0.4
99.04057	0.4
114.01852	5.3
115.00262	12.7
119.04941	0.8
132.02919	100.0
133.03304	1.9
134.06010	0.8
135.04431	4.9
147.52422	0.4
155.42511	0.4
173.04451	1.2
182.89044	0.4
191.05463	0.5
206.08102	2.4
228.07069	0.7
232.06161	0.9
237.09143	0.5
250.07173	20.3
250.14516	0.7
251.07481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28948	0.4
56.10663	0.5
59.01247	2.0
69.40500	3.8
70.02855	0.8
71.01257	10.2
85.02831	0.6
88.03915	100.0
89.04252	1.5
91.05405	2.3
93.03344	0.9
98.20540	0.9
111.50794	0.5
112.81104	0.4
114.01863	5.7
115.00262	17.5
116.09884	0.5
119.04909	1.0
132.02921	99.8
133.03236	2.4
134.06026	0.6
135.04411	4.5
141.87402	0.5
191.05563	1.6
206.08153	2.2
211.07690	0.7
223.07620	0.8
232.06166	0.6
237.09285	0.6
244.97301	0.5
250.07172	17.9
250.14516	0.7
251.07472	1.2
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
59.01251	100.0
66.74407	2.2
69.54487	21.2
74.68848	2.3
84.29417	2.1
100.98694	2.2
101.02336	4.5
161.04474	6.0
193.07098	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	253.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
67.98659	4.4
70.26066	19.9
74.47762	3.9
76.35766	4.2
118.96826	4.7
190.88612	4.4
193.07094	25.8
199.97711	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	249.1493
Annotation	Sch 601254
Peak:m/z	Relative Intensity
57.03312	1.5
57.23627	0.9
59.01254	11.2
61.98690	1.5
69.03328	35.1
69.59286	7.3
71.01250	2.1
71.04901	1.7
73.02810	2.4
83.04893	2.1
95.04897	4.3
97.06479	1.9
103.01782	1.0
109.06464	1.2
111.08002	1.9
121.06448	1.4
130.94254	2.2
133.10095	1.1
134.07263	2.7
145.96638	1.5
149.09669	1.3
149.13293	3.4
151.11290	1.2
161.13322	1.6
165.95619	3.0
166.70058	1.1
167.10718	3.5
184.99963	1.1
187.14845	3.9
189.95715	1.8
193.12259	7.1
205.12263	9.6
205.15901	12.5
206.12772	1.1
207.96674	3.0
221.15421	16.8
231.13863	30.5
232.14159	4.4
234.05313	1.3
235.56013	1.2
247.13466	1.3
249.00409	1.0
249.14931	100.0
250.14745	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92286	1.3
57.03311	1.2
59.01242	4.2
81.05306	1.2
82.71668	1.1
93.03352	1.3
127.07533	4.6
130.94279	3.8
151.11227	2.5
161.13258	1.4
165.95583	3.4
167.06874	1.7
169.08382	1.6
181.12251	17.9
183.13695	1.3
201.08902	2.6
203.10428	7.4
205.08411	1.8
205.12206	1.6
205.15881	2.4
207.09979	1.5
207.96713	4.4
217.08369	3.0
219.02919	1.5
219.09952	4.9
221.11565	5.2
222.07716	1.2
223.13106	44.2
224.13484	3.6
233.07924	6.7
234.05283	2.2
235.09428	9.5
237.11099	16.5
241.14273	1.4
249.11061	68.9
249.14964	5.3
250.11342	5.5
250.14478	7.7
257.22491	1.2
265.10538	11.7
266.10837	1.6
267.12115	100.0
268.12439	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	247.17
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
55.95117	0.1
58.50358	0.1
59.01236	0.2
59.64768	0.1
69.48197	0.1
79.95593	0.2
89.02306	0.1
101.14972	0.1
109.74965	0.1
111.90991	0.1
121.02794	0.2
165.01781	0.1
174.99130	0.1
176.99251	0.2
184.00090	0.9
186.95476	0.1
205.15936	0.5
207.13921	0.1
209.69598	0.1
220.17004	1.5
231.13986	0.5
247.17009	100.0
248.07980	0.9
248.17348	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	249.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89198	0.6
58.02843	6.3
71.57971	0.6
71.58317	0.8
83.53345	0.6
88.03910	1.6
92.04914	3.3
93.03336	0.8
116.04927	4.4
118.06513	15.2
128.04958	11.6
131.03654	14.4
132.02908	1.9
137.05933	0.7
144.04448	100.0
145.04770	5.1
146.06018	46.8
147.06372	2.9
164.07079	1.3
172.03937	12.7
190.05016	72.4
191.05392	5.1
204.04286	1.0
205.05040	1.5
206.08194	1.6
234.05284	1.4
249.04066	1.1
249.08929	2.8
250.07083	1.6
250.14522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1393
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
55.93228	0.5
57.03305	1.9
59.01246	2.1
59.64732	0.5
71.04881	1.5
73.02837	0.8
78.95745	0.8
81.03359	0.6
83.04903	1.2
89.28213	0.6
97.06464	2.0
98.20536	1.5
111.08037	2.8
125.09583	1.1
155.14330	3.0
163.11198	0.7
165.12758	21.2
166.13101	1.8
183.13820	19.8
184.14162	1.2
199.13361	1.2
201.14876	10.5
202.15282	0.6
203.12802	1.7
207.10098	0.8
209.11757	12.3
218.24487	0.8
225.11237	1.6
227.12827	60.3
228.13202	4.0
243.12314	1.4
245.04385	1.4
245.13896	100.0
246.14279	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	246.098
Annotation	Valinopine
Peak:m/z	Relative Intensity
59.01225	2.9
66.03339	1.7
71.01247	25.9
71.04884	3.6
71.07271	3.1
72.73097	1.3
72.99184	3.8
74.02338	100.0
75.00742	3.9
88.03911	67.6
89.04278	1.8
93.03325	2.4
96.99207	2.9
100.03922	1.4
114.01875	1.7
115.00245	39.9
130.08623	71.7
131.07028	63.1
131.08998	2.9
132.02888	3.5
132.07359	2.3
173.04507	2.5
178.13728	1.2
184.09824	1.7
202.10765	56.9
203.11023	3.7
217.01401	2.5
228.08731	4.8
230.02116	1.5
241.20305	1.3
246.09807	73.3
246.14932	4.5
247.10048	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0428
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
53.32130	1.0
58.02837	2.6
59.01249	8.6
62.22828	1.0
63.47535	1.2
69.28787	6.8
69.29217	4.6
71.01250	3.9
72.99178	1.5
78.95771	100.0
83.01268	1.2
85.02827	1.2
87.00755	4.0
88.03935	1.5
89.02308	7.0
89.11684	1.1
91.76910	1.2
93.03313	1.2
96.96816	9.5
97.53589	1.2
101.02330	8.0
111.04398	2.6
116.07063	3.0
119.03366	10.8
127.07506	2.6
128.03410	3.8
129.10225	1.8
139.07419	1.0
152.99483	84.0
153.99858	1.7
156.02811	1.2
171.00546	33.6
173.09193	1.9
183.06503	1.5
184.63379	1.3
209.06575	2.7
245.04277	74.2
245.06424	3.0
245.11334	4.3
246.04646	3.2
261.76321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0927
Annotation	N-Acetyl-L-tryptophan
Peak:m/z	Relative Intensity
51.50872	1.4
58.02848	24.4
61.44973	1.3
69.45155	11.6
70.02836	18.0
72.00768	3.0
72.04407	3.7
74.02338	100.0
76.54273	1.4
98.02355	25.3
98.19822	2.5
114.05199	1.3
116.03422	36.0
116.04939	32.8
117.05260	1.7
130.06505	3.3
131.53529	1.5
142.06500	9.6
159.09207	5.2
174.96117	1.3
186.05531	1.9
201.10220	7.7
203.08183	77.7
204.08585	7.4
209.25945	1.4
245.09265	80.3
246.09541	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76739	0.4
59.01251	45.4
59.95816	0.4
60.01581	0.6
60.83745	0.4
65.05342	0.4
69.34223	1.2
69.34641	3.1
78.95773	0.6
97.30369	0.4
123.63900	0.5
127.11183	5.1
139.11171	2.2
148.87276	0.4
155.10674	2.4
157.12257	20.8
158.12569	0.9
171.86513	0.5
185.11766	16.4
186.12068	1.2
203.12836	100.0
204.13200	6.7
219.05428	0.4
245.04488	2.1
245.08228	0.8
245.13919	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	245.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	43.5
60.01585	0.5
64.26847	0.4
69.80261	2.1
69.80661	0.8
78.95773	0.5
83.42551	0.4
84.05199	0.4
88.14921	0.3
119.05856	0.3
127.11167	4.0
139.11168	1.7
155.10696	2.1
157.12241	19.6
158.12573	1.1
185.11745	15.9
186.12054	0.9
201.11342	0.6
203.12817	100.0
204.13147	6.6
245.04401	0.6
245.13870	4.2
246.14503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01248	54.2
65.01310	1.8
69.03339	2.1
69.36210	8.7
69.36612	4.1
71.04898	2.3
72.99182	9.1
73.02814	1.9
74.79390	1.4
83.04897	3.2
85.06454	2.2
99.00767	1.6
99.04410	1.6
106.48534	1.3
107.08536	3.0
121.10114	1.9
123.04430	1.4
125.09583	3.0
133.75522	1.5
137.09589	2.8
139.11172	3.6
151.11206	1.5
155.10649	3.3
155.67155	1.3
163.11168	1.6
165.09033	1.4
181.12202	3.6
183.10190	61.1
184.10553	3.7
201.11259	100.0
202.11586	5.7
207.10226	2.9
215.12730	1.4
223.82179	1.4
225.11198	7.6
228.89871	1.4
242.56145	1.7
243.02969	2.9
243.06679	2.6
243.12277	13.1
245.00879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1234
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
56.51551	0.8
57.03310	1.1
59.01249	20.4
61.58792	0.8
65.01340	1.1
71.01245	1.4
71.04892	2.2
73.02815	1.9
73.59505	0.8
83.04872	1.2
91.01743	1.7
97.02847	1.6
97.06483	0.9
99.00756	10.7
106.03979	1.2
106.17307	0.9
108.02038	1.5
110.02370	1.5
110.03600	1.4
114.93210	0.8
125.09610	3.1
127.11198	4.1
132.96297	0.9
136.05176	1.1
137.02344	1.1
139.11177	11.2
142.02632	1.5
148.05142	1.1
153.12727	1.3
163.11168	5.9
171.10243	1.3
171.69743	0.9
181.12253	22.5
182.12563	1.5
183.10184	16.1
184.10556	1.0
197.11765	1.8
199.11447	1.9
199.13324	41.0
200.13716	2.2
201.11266	2.5
207.10207	27.4
208.10558	2.7
225.11266	66.1
226.11618	4.2
243.03008	4.3
243.06714	3.6
243.12343	100.0
244.12653	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	243.0662
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
54.75855	1.6
59.01258	3.0
60.30754	1.5
62.50996	1.4
67.01745	2.0
69.03326	50.0
71.01267	2.9
71.58359	3.0
79.01735	4.1
81.03326	4.0
85.02833	5.9
93.03307	2.6
95.01250	12.1
97.02829	30.9
99.00717	1.8
107.01263	8.5
108.02052	100.0
109.02859	33.9
109.04565	1.5
109.06403	2.1
110.02362	6.8
116.68179	1.7
121.02841	23.3
123.00771	12.5
124.01553	4.1
125.02343	49.3
135.00777	68.9
136.01117	2.5
137.02336	51.7
141.06979	2.3
141.46147	1.9
151.00275	4.4
152.01064	93.8
153.01404	3.7
169.06511	3.8
181.15895	2.0
197.06030	50.8
198.06377	3.3
199.07611	1.9
199.09662	4.9
200.05531	2.2
207.10233	4.4
213.05519	9.7
215.07162	5.4
225.11302	7.5
243.02861	3.2
243.06604	53.0
243.12318	7.0
243.15829	4.2
243.19601	3.9
244.06975	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	243.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
63.23159	0.6
69.03322	36.6
70.03659	1.0
70.28712	2.5
76.87610	0.6
79.01746	3.1
81.03319	1.7
82.02841	0.8
87.75492	0.5
87.84229	0.6
88.16703	0.6
93.03316	0.9
95.01255	5.3
97.02819	23.8
98.03175	1.0
98.19919	0.7
107.01260	8.9
107.18176	0.6
108.02046	63.2
109.02919	5.0
110.02376	1.4
121.02814	5.4
123.00745	6.3
125.02326	46.7
126.02639	1.2
130.19458	0.6
135.00763	61.2
136.01112	2.6
137.02325	6.7
147.41995	0.6
151.00267	2.0
152.01048	100.0
153.01372	4.1
169.06491	1.0
185.24203	0.9
197.05983	5.9
207.10071	0.7
213.05322	1.4
215.07025	0.7
216.68121	0.7
225.11131	0.6
243.02925	1.1
243.06595	14.4
243.12363	1.5
243.15941	1.2
244.06865	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	243.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
65.03810	1.7
67.01748	0.8
69.03303	0.8
69.44707	2.3
69.45136	3.9
70.23874	0.8
71.01252	1.2
81.03312	3.0
82.02843	1.7
83.04897	10.2
84.47738	0.8
87.00747	100.0
88.01089	1.5
93.03330	33.0
98.19695	1.3
109.02829	1.4
110.02336	2.7
111.04385	11.1
121.02821	2.1
123.04465	0.9
137.02339	28.3
138.02626	1.9
155.03398	7.1
155.07019	1.1
173.00891	1.1
199.06021	3.5
200.05602	1.4
225.04015	2.6
243.05029	57.0
243.08984	1.5
244.05426	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	243.0618
Annotation	Uridine
Peak:m/z	Relative Intensity
55.31698	1.4
59.01239	1.7
66.03348	14.0
68.01269	2.6
71.01223	1.7
71.57285	1.9
79.09876	1.3
81.03326	1.9
82.02361	1.7
82.02852	32.9
82.07629	1.2
83.01224	3.1
83.03192	2.4
84.04415	1.5
87.00745	17.1
93.03329	6.1
94.02862	3.8
96.04433	2.0
108.04436	2.6
110.02357	100.0
111.01880	4.8
111.02631	2.6
111.04362	1.8
122.02331	10.0
124.03918	4.7
130.83368	1.5
133.81293	1.3
137.02321	3.3
140.03416	8.9
146.52461	1.4
152.03419	13.7
153.02946	5.7
200.05580	26.1
200.07385	2.5
243.06337	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
65.03810	1.7
67.01748	0.8
69.03303	0.8
69.44707	2.3
69.45136	3.9
70.23874	0.8
71.01252	1.2
81.03312	3.0
82.02843	1.7
83.04897	10.2
84.47738	0.8
87.00747	100.0
88.01089	1.5
93.03330	33.0
98.19695	1.3
109.02829	1.4
110.02336	2.7
111.04385	11.1
121.02821	2.1
123.04465	0.9
137.02339	28.3
138.02626	1.9
155.03398	7.1
155.07019	1.1
173.00891	1.1
199.06021	3.5
200.05602	1.4
225.04015	2.6
243.05029	57.0
243.08984	1.5
244.05426	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	241.1442
Annotation	A factor
Peak:m/z	Relative Intensity
57.03038	0.9
57.03321	16.8
69.03328	2.9
71.04890	5.3
71.58441	0.4
95.04894	0.6
95.92625	0.5
97.06481	0.4
109.06465	3.8
109.07621	0.4
117.71987	0.4
121.06506	0.6
123.08051	3.2
125.09627	1.0
135.08025	0.7
137.09613	13.6
138.09952	1.2
139.21092	0.4
151.11191	7.2
152.11530	0.7
153.12746	11.7
163.11227	2.0
169.12225	3.1
179.10704	0.5
179.14334	2.9
181.12247	8.4
182.12556	0.7
195.13826	13.3
196.14153	1.1
197.11812	1.1
197.15378	10.0
198.15671	0.9
213.02203	0.5
241.14409	100.0
242.05145	0.4
242.14737	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	239.1285
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.03322	69.0
58.03650	1.9
59.01248	5.8
64.96109	0.6
69.03323	4.1
70.52139	2.3
71.01237	0.7
71.04893	2.9
76.02212	0.7
81.63611	0.7
85.02829	1.0
87.00739	1.0
95.04895	1.0
96.95895	0.7
97.06457	1.4
98.19805	1.1
107.04924	2.3
109.06473	12.6
109.68811	0.7
120.05728	0.9
123.07150	1.2
123.08046	22.6
124.08363	0.9
125.09588	5.0
135.08047	6.4
137.09669	0.8
139.07570	0.8
149.09593	1.2
151.03896	2.2
151.11188	19.0
152.11562	1.2
160.23627	0.6
161.04504	0.7
165.01913	0.7
169.79762	0.6
177.09100	1.5
177.12770	2.7
179.05486	4.6
179.10625	3.7
179.62119	0.6
180.04248	1.0
195.13832	63.8
196.12648	0.6
196.14130	3.9
208.30869	0.7
211.13222	0.7
221.11819	1.0
224.20409	0.6
234.52409	0.6
239.12843	100.0
240.13222	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	241.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19163	0.5
54.98510	0.6
57.03317	1.8
59.01248	1.3
61.37537	0.5
70.85701	1.6
71.04896	0.7
72.15930	0.6
79.95593	0.6
81.03340	0.9
83.04904	4.1
95.04897	1.7
97.06465	11.0
109.06494	1.2
111.08049	9.9
112.08385	0.5
118.11319	0.5
147.11719	1.0
149.09610	0.7
163.11198	3.1
165.12767	100.0
166.13103	7.6
184.00143	2.3
184.99847	0.5
197.15405	18.3
198.15758	2.1
209.11768	4.9
227.12836	1.6
241.07214	1.3
241.14484	2.2
241.18059	1.0
241.21651	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0611
Annotation	3-Deoxyoctulosonic acid
Peak:m/z	Relative Intensity
51.11919	2.9
54.01991	3.1
59.01239	8.4
63.23416	2.8
63.49380	3.0
70.64273	9.7
71.01244	11.5
72.99187	8.7
75.00753	23.3
78.95801	3.6
85.02821	9.7
87.00742	100.0
89.02280	4.2
90.52740	3.4
97.02824	4.6
99.19266	3.8
101.02303	6.2
129.01826	23.8
156.32022	2.9
179.05461	3.5
185.86028	3.3
237.06068	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	239.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42363	0.2
59.01250	5.5
59.96595	0.3
70.59867	0.7
70.60222	0.3
71.01272	0.2
74.98948	9.6
85.02814	0.4
87.00759	1.0
91.02083	11.2
93.00016	7.3
99.00718	0.4
131.49521	0.3
146.61075	0.2
147.80949	0.3
149.00868	5.6
150.01021	0.4
150.98798	0.4
161.04500	0.9
179.03351	0.3
179.03984	0.3
179.05544	4.0
195.13748	0.3
206.99657	3.2
207.99646	0.3
223.02792	100.0
224.02805	12.8
239.05876	0.7
239.12791	0.6
239.16438	0.4
241.03874	3.1
242.03877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	91.9
71.01227	29.6
71.05935	22.3
71.06280	20.0
81.88287	12.6
85.02821	54.9
87.00758	14.8
89.02309	29.2
96.31899	12.3
101.02356	13.4
131.03400	36.4
135.04417	54.2
161.04451	24.2
179.05524	26.7
206.63181	12.5
221.06615	100.0
239.07706	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	0.4
63.11818	0.2
69.99400	0.6
69.99805	0.4
118.16667	0.2
134.03621	0.4
135.04407	0.3
136.05191	0.5
148.05196	8.6
149.05875	0.3
149.09647	1.1
162.06728	0.4
175.07515	0.4
176.08344	0.9
177.09113	40.6
178.09454	3.0
190.09964	1.8
191.10654	0.8
192.11465	31.4
193.11884	2.5
201.09123	0.6
203.07074	0.5
217.08653	3.3
218.09419	8.5
219.09831	0.8
236.10487	100.0
237.10857	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	232.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.8
60.26719	0.6
69.31767	3.9
69.32195	2.1
70.02849	54.8
71.03174	0.9
82.57639	0.5
89.95286	0.7
91.05408	5.2
93.03318	0.7
96.99181	10.4
114.01852	100.0
115.02216	3.3
117.03344	25.8
118.03694	1.6
118.06529	1.3
134.06009	17.9
135.04440	3.4
135.06273	0.8
144.08101	1.7
145.06497	0.9
146.05984	5.3
160.07552	3.3
172.03940	1.3
188.07060	6.6
188.98538	0.7
205.07382	0.9
232.06169	2.5
233.15387	7.5
240.93102	0.8
244.27231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03308	0.4
58.36847	0.3
59.01253	1.0
95.01218	0.4
99.07976	0.4
106.03918	0.3
129.05424	2.4
143.86049	0.4
148.35698	0.4
160.05002	0.6
165.12732	0.9
167.14313	30.5
168.14648	1.8
185.06017	0.6
185.15445	0.9
201.01967	0.4
211.13322	17.8
212.13628	1.2
229.14389	100.0
230.14722	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	231.066
Annotation	6-Hydroxymusizin
Peak:m/z	Relative Intensity
50.85754	0.3
59.01251	0.4
63.02263	5.2
65.00195	21.4
65.99695	0.3
66.00529	0.5
68.23100	0.3
69.43813	2.5
79.05401	1.2
80.58527	0.3
81.03327	0.7
83.01254	9.9
84.80133	0.3
91.32863	0.3
93.03348	1.0
93.34377	0.3
94.02355	0.3
98.19799	0.7
99.72766	0.3
101.87202	0.3
105.03349	1.4
107.01270	24.8
108.01566	0.7
108.99183	0.5
109.02842	0.7
117.06994	0.4
119.04887	0.8
121.02841	2.1
121.06483	3.4
123.04388	0.8
124.01574	0.5
125.02367	0.6
130.04118	0.8
131.04874	0.3
132.02025	0.5
137.02327	0.5
143.04951	0.6
143.08549	0.4
144.05725	1.0
145.06500	3.1
147.04408	4.3
149.02348	8.5
150.02716	0.5
151.00270	52.3
152.00616	2.5
152.03403	1.7
159.04462	0.7
159.08066	1.3
161.05975	1.2
163.07584	2.4
164.01120	0.7
169.01343	0.8
169.06540	0.4
171.04466	0.3
172.05183	2.0
174.03088	0.4
175.03899	0.5
176.01051	0.5
177.01831	0.3
185.05992	0.6
185.60745	0.4
187.03923	0.8
187.07581	6.9
188.04662	0.8
188.08014	0.4
189.05490	1.7
203.07065	1.2
213.05518	1.3
215.03424	0.8
216.04245	1.8
229.05132	0.3
231.06583	100.0
232.06906	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	229.144
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03310	1.8
57.68898	0.3
59.01233	0.3
65.38363	0.3
69.25655	2.9
71.04888	0.6
83.04888	0.4
84.02025	0.3
85.02810	1.2
85.59337	0.3
97.06509	0.3
115.82008	0.3
125.09596	2.8
127.11173	4.0
128.11502	0.4
155.14339	2.0
165.12770	0.6
167.10635	0.5
167.14305	1.2
171.10185	3.2
183.13869	1.6
185.11748	0.8
197.77281	0.3
201.14877	0.5
209.11783	3.1
210.12119	0.3
211.13336	7.7
212.13603	0.7
229.14391	100.0
230.14734	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	227.1283
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
54.30162	0.4
57.03311	1.2
59.01239	0.6
71.04903	0.6
80.02518	0.5
81.03326	0.7
83.04884	1.6
84.02043	0.4
88.62418	0.4
97.06459	1.9
98.20554	0.9
111.08043	5.2
127.36894	0.4
147.11780	0.4
163.11194	1.8
165.12753	29.6
166.13107	2.0
181.12317	0.6
183.13821	31.7
184.14172	2.6
191.10741	0.4
209.11760	22.4
210.12033	2.0
215.52176	0.4
227.12825	100.0
227.20070	1.4
228.13158	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	227.2013
Annotation	Myristic acid
Peak:m/z	Relative Intensity
57.86504	0.3
66.10193	0.2
70.26408	0.8
93.81757	0.2
98.90436	0.2
104.93615	0.2
145.08879	0.2
160.36014	0.3
206.37845	0.2
227.20125	100.0
228.20459	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	227.1285
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
51.99759	0.2
59.01247	0.5
64.30682	0.3
65.01290	0.4
65.44471	0.3
70.17969	0.2
71.04887	0.7
75.84125	0.2
80.02560	1.9
81.03326	1.8
82.19567	0.3
83.01279	0.4
83.04898	6.7
84.02047	3.4
95.04884	1.0
97.06465	0.5
98.20522	0.5
103.31073	0.3
106.04041	0.3
109.06489	0.6
125.05951	0.8
125.09608	0.5
135.08073	0.9
147.11691	0.3
153.12697	0.3
163.11203	5.2
164.11516	0.3
165.12776	4.0
169.12228	0.4
176.22150	0.3
181.12207	1.0
183.13814	0.8
186.18333	0.3
191.10732	1.3
194.35657	0.3
199.13319	1.4
201.07697	0.4
209.11769	100.0
210.12097	8.6
211.72961	0.2
212.06920	0.3
227.09380	0.3
227.12846	5.1
227.16426	0.6
227.20120	0.9
228.13347	0.3
239.92593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1285
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.20568	0.1
57.03317	0.4
59.01245	0.2
68.19733	0.1
69.03334	0.3
71.04896	0.2
71.07833	0.3
77.31632	0.1
80.85863	0.2
83.04859	0.2
111.08049	1.0
137.02293	0.2
154.09229	0.1
158.03128	0.2
165.12766	18.4
166.13091	1.4
177.67850	0.1
181.12314	0.2
183.13831	100.0
184.14177	7.6
184.15881	0.2
191.10762	0.2
204.92355	0.1
209.11774	2.6
227.12851	16.2
228.13162	1.7
239.53328	0.2
246.70946	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	227.1284
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
70.99490	0.9
71.04881	0.7
78.17566	0.3
80.02547	2.1
81.03313	1.5
83.01250	0.5
83.04893	7.8
84.02030	3.8
95.04902	1.0
102.96103	0.3
109.06458	0.5
110.03899	0.3
118.34035	0.3
125.05974	0.8
135.08025	1.3
147.11736	0.3
148.15474	0.3
163.11191	4.8
164.11519	0.4
165.12767	4.2
166.13060	0.4
181.12228	0.9
183.13789	0.9
191.10687	1.7
199.13333	0.4
209.11758	100.0
210.10101	0.5
210.12106	9.1
227.12872	3.2
228.13223	0.3
247.08733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0921
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
59.85037	0.7
70.71941	1.2
70.72281	1.2
72.99181	100.0
73.99519	1.2
74.46275	0.8
75.00754	3.8
86.12458	0.7
88.03928	0.8
95.04898	0.8
137.02307	3.9
139.04034	0.8
139.07539	2.8
151.07565	3.3
152.04700	0.9
152.08287	3.2
153.09085	1.3
165.09114	3.9
166.09525	0.9
183.13841	1.3
209.08136	3.0
209.11743	1.0
212.06804	1.6
227.07269	1.4
227.09190	27.9
227.12595	1.1
227.16397	1.8
227.20105	2.7
228.09535	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1283
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
50.86959	0.6
55.21727	0.6
56.90111	0.7
57.03329	0.9
59.01261	1.2
70.72192	1.8
71.01250	0.7
73.12633	0.6
83.04926	2.0
95.01300	0.9
108.02078	1.9
111.08066	1.7
123.91875	0.7
136.01547	1.9
137.02394	0.7
139.11130	0.7
148.58282	0.7
162.14151	0.6
163.11205	1.0
163.18605	0.7
165.11357	1.1
165.12753	18.8
166.13071	1.5
183.13820	100.0
184.14169	7.2
199.13338	0.9
209.08679	0.7
209.11787	15.6
210.12154	1.3
212.06808	0.9
219.09528	0.7
226.93271	0.9
227.07089	3.8
227.09200	1.2
227.12819	23.4
227.16342	5.0
227.20087	8.8
228.13084	1.7
228.16544	0.8
228.20483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1282
Annotation	(-)-12-hydroxy-9,10-dihydrojasmonic acid
Peak:m/z	Relative Intensity
51.50399	0.7
52.51765	0.7
53.00176	0.8
53.95566	0.7
57.03318	4.3
59.01237	1.2
67.01743	0.7
69.03317	2.6
69.23189	5.7
69.23589	2.3
72.81003	0.7
73.02794	1.3
77.75605	0.9
79.01753	0.7
80.02531	1.0
81.03326	2.8
83.04894	5.8
84.02007	1.3
93.03324	0.8
95.04883	4.3
97.06458	22.8
97.07088	1.1
98.20581	1.5
106.04000	1.2
121.06468	0.7
123.08099	1.3
123.91888	0.9
125.09589	1.4
129.42168	0.7
133.10114	3.0
135.08037	1.7
137.02319	2.0
139.11148	0.9
149.09621	3.0
151.11182	100.0
151.37730	0.7
152.11513	5.6
154.92470	0.8
163.07544	0.9
165.12738	2.4
181.08582	1.8
183.13803	9.7
191.07034	2.1
195.10184	11.7
209.11772	17.0
210.12132	1.4
213.11237	4.4
224.67688	0.9
227.04807	15.8
227.09253	1.4
227.12830	20.7
227.16348	4.6
227.20113	10.1
228.04979	1.4
228.13150	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	225.1127
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
57.03320	0.3
57.11575	0.3
58.33620	0.4
59.01247	100.0
60.01578	1.5
62.74372	0.4
69.03320	0.4
71.44132	0.4
71.44471	0.5
72.81532	0.4
79.49405	0.4
81.03326	0.8
97.06463	2.7
103.07436	0.3
135.08047	1.5
136.75661	0.3
137.02379	0.4
141.97005	0.4
147.08017	3.5
152.08316	0.7
163.11192	1.0
165.09131	1.6
181.12221	1.0
207.10243	0.8
219.01108	0.4
225.11256	32.9
226.11638	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	225.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	31.6
58.03666	0.5
58.72671	0.4
59.01251	4.5
65.01315	1.0
67.23139	0.5
68.99682	0.7
69.03322	6.2
69.84508	1.7
71.04894	7.7
71.40013	0.5
72.35093	0.5
81.03336	1.3
83.04890	2.5
85.44044	0.5
90.00753	0.6
93.03365	0.6
95.04908	1.5
97.02807	0.9
97.06455	2.5
99.04357	1.1
101.02335	0.5
107.04875	0.7
109.06471	5.6
110.65886	0.4
120.05629	0.6
121.06463	2.8
121.10119	1.8
123.04451	1.1
123.08045	9.5
125.05946	0.9
125.09617	1.8
135.04399	1.5
135.08040	1.5
137.02315	0.5
137.06000	0.6
137.09615	28.4
138.09944	1.7
139.07542	0.9
144.04370	0.5
146.96642	0.4
147.08090	0.8
149.06007	0.7
149.09644	1.0
151.07561	1.5
151.11191	10.1
152.08376	0.6
152.11523	0.7
153.09109	1.4
153.11588	0.9
153.12756	13.6
154.13144	0.7
157.05136	0.6
163.11201	11.2
164.11575	0.5
165.01823	1.4
165.09119	0.9
167.10704	0.9
171.06697	0.9
177.12718	0.8
179.10713	1.4
179.14333	5.3
180.04187	0.7
181.08588	1.0
181.12262	11.0
182.12550	0.7
189.12788	1.2
191.10724	1.0
195.02907	0.7
195.06555	1.2
195.13840	20.8
196.14162	2.0
197.15407	25.8
198.07771	0.9
198.15833	2.2
199.06195	0.8
205.12270	1.7
207.10202	1.8
207.13832	18.2
208.14137	1.7
210.05190	1.1
210.12596	0.6
225.11276	7.0
225.14896	100.0
226.11696	1.2
226.15256	8.4
241.14461	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	225.1127
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
54.31632	0.3
57.03321	0.4
57.97124	0.4
59.01245	3.3
62.37283	0.3
65.01316	0.4
69.03328	0.4
69.74016	0.3
71.01250	0.4
71.04881	0.6
71.58176	0.4
71.58585	0.3
71.59211	0.3
72.38238	0.3
72.82986	0.3
72.89536	0.3
80.16643	0.3
81.03330	0.5
83.04884	1.0
83.55139	0.3
84.02020	0.5
90.38280	0.3
93.03348	0.4
95.04928	0.6
97.02824	12.1
97.06474	0.7
99.00751	4.2
101.02332	0.4
106.04108	0.5
107.04894	0.4
109.06471	3.5
110.02444	0.3
110.03610	3.5
111.04386	0.9
123.04427	1.0
125.09647	1.4
130.04031	0.5
135.08022	1.7
136.05208	2.9
137.02342	0.7
137.05923	0.3
142.02603	6.2
145.10159	0.6
151.07597	0.4
152.08313	0.7
153.12744	0.5
156.05605	0.4
157.05151	0.4
161.09598	1.2
163.11188	11.2
164.11519	0.7
165.01845	1.0
171.06680	0.5
179.10721	1.6
180.04150	0.4
181.12251	32.3
182.12585	2.5
185.07065	0.4
189.09102	0.8
194.03319	0.3
195.02913	0.5
195.06570	0.7
197.11757	1.2
198.07776	0.7
207.10193	74.6
208.10544	6.8
225.11258	100.0
226.11601	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	223.1334
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.64325	0.6
57.03325	1.8
59.01251	6.2
60.69799	0.6
67.41734	0.6
69.03327	7.1
71.01268	0.6
71.04891	2.8
71.07559	1.2
71.07915	1.1
83.04884	0.9
85.06472	1.3
93.03366	1.2
95.04900	1.3
108.05669	0.7
109.06458	1.0
111.08047	1.0
114.08211	0.6
114.59339	0.6
125.09615	1.1
134.60078	0.6
135.11642	1.0
141.09108	0.7
149.09662	1.5
161.13223	0.9
166.06233	1.0
167.10695	9.6
177.12737	2.0
179.10732	4.1
179.12910	1.1
179.14330	10.3
180.11049	0.7
193.01398	1.2
193.12286	0.7
195.12019	1.4
195.13832	28.6
196.14204	1.7
205.12267	23.4
206.12625	2.4
208.03697	2.2
223.02792	2.3
223.13344	100.0
224.13690	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1127
Annotation	Chloriolide
Peak:m/z	Relative Intensity
55.01737	0.9
57.03326	0.8
59.01251	8.3
63.30765	0.6
68.99670	1.8
69.03323	1.3
69.74326	4.0
73.02810	1.5
80.02533	0.7
81.03348	1.6
83.04897	2.3
84.02046	1.0
85.02810	1.1
93.03329	2.0
95.04915	1.0
97.02826	10.2
98.19846	1.4
99.00762	1.7
101.02310	1.4
109.02808	0.9
109.06469	18.6
110.03643	3.9
111.04391	1.5
121.06483	2.1
123.04417	1.6
125.09659	1.3
126.90396	0.7
135.08046	3.5
136.05177	2.6
142.02609	5.8
145.10039	0.8
151.03923	1.1
152.08318	2.9
161.09627	1.6
163.09831	0.9
163.11195	16.8
164.11469	1.4
165.01823	1.3
165.09111	0.7
179.05429	0.7
179.10706	1.7
181.12254	14.5
181.15874	0.7
182.12590	1.1
189.09100	0.9
195.02911	2.2
195.06619	0.8
197.11766	1.3
207.10193	76.7
208.10577	5.7
210.05388	1.2
213.15897	0.7
224.80406	0.9
225.11266	100.0
225.14880	4.5
226.11595	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	223.0607
Annotation	Sinapate
Peak:m/z	Relative Intensity
55.07388	0.5
59.01242	1.1
65.00208	0.7
67.01760	0.7
69.40122	1.8
69.40553	2.3
71.01295	0.5
84.68008	0.4
85.02840	1.3
88.56649	0.4
89.03876	0.6
91.01741	0.6
91.05428	1.1
93.03340	9.7
104.83111	0.4
106.92006	0.4
106.95087	0.5
109.02831	0.9
117.03371	1.3
119.04929	1.1
121.02849	37.5
122.03207	1.5
132.02077	1.5
135.04422	6.1
136.04836	0.4
137.02309	0.9
140.30775	0.5
147.02785	0.5
147.04405	4.4
149.02353	100.0
150.02696	6.4
151.03891	0.7
151.99905	0.8
152.01067	10.2
163.03934	10.0
164.04706	61.9
165.01828	6.9
165.05040	4.5
166.02240	0.5
167.03448	1.5
169.05016	4.3
179.03357	0.4
179.07054	10.2
180.07410	0.7
181.76544	0.5
193.01357	38.4
194.01636	2.2
208.03717	51.8
209.04051	3.9
214.63956	0.5
223.06065	40.3
223.13382	0.9
224.06512	3.3
239.09401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1333
Annotation	Jhanilactone
Peak:m/z	Relative Intensity
51.80508	0.8
57.03311	1.1
59.01255	6.3
63.14700	0.8
66.67035	0.8
69.03316	7.6
69.58865	0.8
69.71819	5.5
71.04900	2.5
83.04884	1.8
85.06458	1.2
86.97363	0.8
87.80768	0.9
98.19848	1.3
102.96245	0.8
109.06444	2.0
125.09602	1.4
144.47638	0.8
149.09618	1.7
161.13278	1.7
167.10696	10.2
176.27481	1.0
177.12753	1.1
179.10687	3.3
179.14319	10.4
180.14664	1.2
193.01323	1.7
195.12033	1.4
195.13826	29.4
196.14177	2.5
205.12257	21.1
206.12512	1.9
223.13332	100.0
224.13620	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	223.0607
Annotation	Sinapate
Peak:m/z	Relative Intensity
57.03311	1.4
59.01233	2.1
61.70830	0.5
65.00175	1.6
67.01730	1.9
67.02064	0.7
69.03308	0.6
71.01234	1.1
72.99164	0.8
78.20144	0.5
79.01727	0.6
82.74470	0.5
83.01239	1.2
85.02811	6.2
89.90073	0.6
91.01772	1.1
93.02753	1.2
93.03326	20.9
94.03656	1.0
95.04930	0.9
98.77582	0.5
101.02323	1.5
101.78341	0.6
105.03313	0.7
107.01221	0.7
109.02801	1.6
111.00785	3.7
119.01258	1.2
119.04897	1.1
121.02836	32.0
122.03149	1.2
123.00722	0.9
123.04384	0.6
125.02373	1.0
125.03369	1.1
129.01791	2.1
135.04410	13.1
136.01534	1.7
137.02301	2.1
139.00180	1.1
147.04352	1.2
148.01526	1.1
149.02338	71.6
150.02663	4.4
151.03873	1.5
152.01050	17.9
163.03918	18.6
164.04689	39.2
165.01837	16.0
165.05035	1.7
166.02271	1.0
167.03412	3.1
169.04976	8.9
179.07043	13.2
179.10548	0.7
180.04202	1.8
180.07365	1.0
193.01344	82.9
194.01634	5.0
195.02835	0.8
196.06071	0.7
205.03418	2.2
207.02846	1.0
208.03702	100.0
209.04033	6.8
223.06070	51.7
223.13361	2.0
224.06413	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	223.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59721	2.5
55.01748	5.5
56.66584	2.2
57.03315	22.7
59.01239	16.4
67.18423	2.0
70.15855	2.0
70.72743	5.1
70.73117	4.7
71.01237	13.3
72.62101	2.2
72.99171	7.7
73.02821	4.0
75.00744	5.5
81.88264	2.2
83.01254	10.3
84.27679	2.2
85.02818	100.0
86.03159	3.9
87.00739	4.9
91.56005	2.1
101.02315	11.3
111.00762	38.2
129.01817	24.2
147.02928	4.5
149.02393	2.3
149.06168	2.2
193.01237	6.5
205.03465	33.0
205.78995	2.7
206.03920	3.2
208.03700	7.4
223.02489	3.3
223.04446	24.5
223.06148	2.8
223.13423	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	223.0607
Annotation	Sinapate
Peak:m/z	Relative Intensity
51.74282	0.5
55.16351	0.5
57.03308	0.6
59.01254	2.8
63.72485	0.6
65.00180	1.4
67.01755	0.8
69.03313	0.8
69.40379	5.1
71.01245	1.4
82.03986	0.9
85.02824	2.6
89.03842	0.7
93.03329	12.1
101.02337	1.9
109.02786	1.1
109.45557	0.6
111.00778	0.9
117.03323	1.1
119.04968	1.1
121.02838	32.5
122.03145	1.5
127.26698	0.6
132.02049	1.6
135.04398	8.3
136.01530	0.6
136.04843	0.6
137.02357	1.3
139.04042	0.5
147.04402	6.1
149.02339	100.0
150.02692	5.7
152.01060	8.3
153.01483	0.6
163.03914	11.6
164.04695	61.5
165.01854	7.6
165.04977	4.5
166.02264	0.6
167.03403	1.4
169.04970	6.6
179.07042	9.5
180.04210	1.2
193.01344	40.8
194.01674	2.4
198.41690	0.6
205.03448	0.6
205.12341	0.6
208.03705	57.1
209.03987	3.4
223.06065	39.6
223.13245	2.9
224.06375	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	7.5
57.03042	1.6
57.03322	23.9
58.35968	1.0
59.01241	14.9
62.19152	1.2
62.41801	1.3
62.76641	1.2
66.93187	1.1
68.37100	1.2
68.99651	1.6
71.01245	17.3
72.99180	12.1
73.02810	3.0
75.00745	7.4
81.64407	1.3
83.01250	14.5
84.02028	3.0
85.02814	100.0
86.03128	2.0
87.00740	4.9
88.01511	1.5
89.49374	1.1
90.59530	1.2
101.02315	9.5
103.00231	1.6
103.03842	1.4
111.00757	39.2
112.01071	1.3
121.08752	1.1
125.02348	2.1
129.01825	28.1
147.02899	3.9
159.02945	1.6
161.04457	1.4
205.03445	26.1
223.04510	25.7
223.06506	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63234	0.3
55.01756	4.6
55.30526	0.4
57.03321	18.8
58.00466	0.6
58.03647	0.4
58.78097	0.4
59.01247	9.8
63.58603	0.3
67.01762	0.7
68.99678	1.1
71.01250	12.2
71.07156	1.0
71.07520	0.3
72.68992	0.4
72.99168	5.4
73.02805	3.3
75.00737	6.0
83.01252	9.8
84.01578	0.6
84.02027	3.0
85.02819	100.0
85.99954	0.5
86.03148	2.7
87.00744	4.1
88.01507	0.6
93.03317	0.7
99.00753	1.1
101.02321	12.1
103.00233	1.0
103.03886	1.7
111.00760	46.4
112.01107	1.6
121.02843	2.6
125.02350	0.5
129.01823	29.5
130.02180	0.8
131.59134	0.4
133.04892	0.7
135.04385	1.0
135.37825	0.3
143.03395	1.4
147.02888	6.8
149.01215	0.6
149.02345	8.9
152.01035	0.8
159.02869	0.5
161.04488	2.5
163.03865	0.6
164.04683	5.2
165.01826	0.8
169.04884	0.4
173.00850	0.5
179.07011	0.9
187.02396	2.9
193.01347	4.3
205.03459	38.2
206.03793	1.8
208.03711	5.7
223.04488	31.5
223.13318	0.7
224.04901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	5.0
55.17711	0.8
57.03323	17.1
59.01255	9.5
63.27087	0.9
68.99690	1.8
70.11831	0.9
71.01251	13.7
71.06564	2.4
72.96693	0.9
72.99174	5.5
73.02811	2.9
75.00744	5.9
75.41224	0.8
78.69598	0.8
83.01243	9.9
84.02031	3.2
85.02822	100.0
86.03141	3.1
87.00755	6.3
88.01515	1.5
95.72052	0.9
101.02319	12.7
103.00243	1.2
103.03885	1.2
104.74979	1.1
111.00764	46.7
112.01115	1.8
116.52871	0.9
125.02325	1.6
125.45816	1.0
129.01839	28.5
130.02147	1.5
143.03326	1.2
147.02907	6.7
149.02310	1.3
161.04402	2.8
174.59995	1.0
187.02419	1.7
193.01300	1.1
196.61520	0.9
205.03473	38.0
206.03831	1.8
208.03702	1.8
223.02513	2.1
223.04541	29.5
224.04877	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	223.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.9
57.03320	22.0
59.01239	10.8
67.01769	1.1
68.99704	1.8
70.32932	0.9
70.92386	2.7
71.01246	15.6
72.99176	8.1
73.02834	2.8
75.00745	6.3
81.03351	1.1
83.01251	8.4
84.02034	3.6
85.02816	100.0
86.03162	2.0
87.00750	3.7
99.00749	3.4
101.02321	12.1
103.00234	1.5
103.03869	1.5
106.17168	1.2
111.00756	45.8
112.01076	1.6
124.96452	0.9
125.02335	3.5
126.07742	1.0
129.01825	32.7
133.04916	1.2
143.03386	1.6
147.02884	5.3
147.03900	0.9
161.04478	1.3
187.02425	1.7
205.03455	35.1
206.03787	2.0
223.04521	29.7
224.04839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	5.3
57.03080	1.4
57.03320	19.0
59.01246	9.3
67.01766	1.3
68.94221	1.1
68.99665	1.2
71.01250	13.6
71.34087	2.5
72.99168	5.1
73.02811	3.4
75.00739	6.9
80.14221	1.1
83.01239	10.1
84.02029	3.2
85.02815	100.0
86.03183	2.0
87.00720	5.2
88.01551	1.4
94.27806	1.0
99.00761	2.2
101.02299	9.7
103.00246	1.7
103.03894	1.6
104.46344	1.1
111.00755	45.9
112.01128	1.7
125.02320	3.9
129.01826	33.1
143.03377	3.1
147.02856	6.7
159.02936	1.2
161.04445	2.8
161.98952	1.1
187.02429	3.1
205.03459	48.5
206.03688	1.4
208.03679	1.8
223.04515	43.9
224.04904	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	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	5.1
56.81117	0.9
57.03321	17.9
59.01247	9.8
66.50760	0.9
67.01720	1.0
68.99665	1.7
71.00896	1.1
71.01250	13.4
71.06514	2.3
72.99174	6.5
73.02800	3.3
75.00739	7.0
83.01259	9.2
84.02014	3.2
85.02816	100.0
86.03121	2.6
87.00753	4.3
93.03292	1.1
99.00739	1.3
101.02327	12.7
103.00259	1.1
103.03902	1.8
111.00758	46.4
112.01046	1.9
115.79243	0.8
121.02797	3.7
129.01822	27.1
147.02855	6.6
149.02400	6.2
152.00934	1.2
159.39171	0.8
161.04427	2.6
164.04608	3.6
165.01773	1.2
172.18311	0.8
179.07034	1.3
187.02345	2.7
193.01346	5.9
205.03470	38.0
206.03773	1.7
208.03661	8.6
223.04449	35.4
225.98079	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.1
59.96591	0.8
61.98693	0.2
69.99480	0.8
71.01253	0.3
74.98945	11.0
75.84274	0.2
75.96096	1.0
75.98903	0.3
76.96906	0.2
82.87312	0.1
85.02840	0.6
93.00015	12.3
93.03384	0.2
93.99953	0.2
96.95858	0.3
101.02335	0.6
104.30070	0.2
111.00755	0.2
113.02312	0.2
121.02841	0.6
125.82371	0.1
129.01839	0.2
131.61769	0.1
137.02327	0.2
149.00871	12.5
149.02264	1.0
150.00813	0.7
150.98749	0.7
152.01047	0.4
163.03889	0.4
164.04706	0.6
164.83556	0.2
165.01875	0.3
167.01982	0.2
169.04977	0.2
172.40857	0.2
179.07047	0.2
179.10735	0.2
193.01373	1.6
205.03557	0.3
205.12259	0.3
206.99654	5.3
207.99672	0.5
208.03709	2.1
208.97554	0.2
223.02789	100.0
223.13301	1.2
224.02832	12.2
224.06088	0.2
225.00679	0.2
231.70357	0.2
241.03857	3.9
241.06300	0.2
242.03871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	100.0
58.02848	24.1
59.01247	53.1
70.36997	5.6
71.01228	5.1
71.04884	3.6
72.99171	2.9
74.77847	3.1
83.04925	3.6
85.02808	9.7
95.04886	12.8
97.02803	4.1
97.03384	3.2
101.02325	3.8
107.04890	6.8
108.02065	3.2
109.02824	9.7
120.05720	6.9
121.06515	7.5
123.04385	10.9
123.08048	24.1
133.06477	3.7
135.04459	16.0
135.08029	11.8
136.07594	20.0
137.09671	3.5
139.07536	7.3
147.04382	3.6
147.44817	3.3
148.05200	4.5
149.09587	4.0
151.07533	32.6
161.09648	28.5
163.00218	5.7
163.07535	68.8
164.08066	4.7
165.09131	30.0
173.09634	10.6
174.36543	2.6
175.11270	3.4
177.05551	3.1
177.09151	18.0
178.08577	6.9
179.10703	48.2
180.11063	3.1
188.08318	9.7
190.99792	16.2
193.12222	3.0
203.08932	5.1
203.10706	54.8
204.11049	4.1
206.02161	20.5
206.05705	5.8
206.09459	8.3
207.02545	3.7
221.04446	10.0
221.08295	6.5
221.09877	4.3
221.11795	71.1
221.15317	8.3
222.12070	6.6
227.46149	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	221.154
Annotation	Kobusone
Peak:m/z	Relative Intensity
59.01253	0.7
69.92307	0.7
84.12500	0.1
86.92586	0.1
91.84730	0.1
127.07575	0.7
127.08324	0.1
148.05185	0.4
149.05739	0.2
151.07571	0.6
152.77660	0.1
161.73166	0.1
164.08311	2.4
165.08878	0.2
176.85718	0.1
205.12282	1.9
206.12621	1.0
207.13844	1.1
208.14204	0.2
220.14622	4.4
221.15393	100.0
222.15736	9.4
227.44495	0.1
230.14561	0.1
235.13387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09759	19.9
59.01237	100.0
71.56956	39.6
78.95766	98.5
80.96393	23.3
81.64825	26.9
85.02818	39.8
88.78455	21.8
97.19682	22.6
112.29537	27.4
114.32706	21.3
123.46812	21.8
179.10612	32.1
190.99849	29.7
206.09358	48.0
221.06601	25.0
221.11749	99.7
221.15178	36.3
224.94205	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	221.045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19651	0.4
52.95094	0.4
57.03329	0.7
57.38031	0.4
57.89444	0.3
58.02847	1.7
59.01248	5.3
64.55869	0.3
68.01290	0.4
69.03333	0.9
69.32770	0.5
69.37644	3.0
70.50220	0.4
74.02315	0.3
75.00745	0.7
85.02838	0.7
90.81358	0.3
91.01748	0.4
93.03333	0.7
97.02839	0.7
107.01224	3.2
107.04926	1.5
112.15065	0.4
119.01294	2.0
119.04894	1.6
121.02834	0.5
123.04355	0.6
123.74586	0.4
133.06522	0.8
135.00769	9.3
135.04408	0.5
136.07562	1.8
147.00775	1.2
149.02235	0.4
149.05972	0.6
150.03111	1.1
161.09598	0.5
162.02998	0.7
163.00270	22.5
163.03937	0.8
163.07588	0.6
164.00616	1.2
177.01875	0.9
177.05444	1.1
177.09093	0.6
177.98970	0.5
178.08673	1.4
179.10693	0.7
180.06621	1.7
190.99776	85.6
192.00102	4.9
203.10765	0.8
205.01355	1.0
206.02130	100.0
207.02461	6.7
221.04488	26.5
221.11790	2.6
221.15205	0.8
222.04836	1.8
222.07637	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	218.1028
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01239	2.1
69.48802	1.0
70.86469	3.0
71.01264	11.3
71.04893	15.0
78.12689	1.2
88.03909	100.0
89.04230	2.0
99.04408	5.8
116.07022	2.1
135.11461	1.3
146.08119	47.4
147.08429	1.2
167.89978	1.2
218.10274	25.2
219.10454	1.7
219.17477	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1491
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01233	0.5
83.04880	0.3
177.12778	0.6
183.13843	28.3
184.14185	2.0
187.06277	0.4
195.13852	25.3
196.14194	1.7
211.13348	0.5
213.14919	100.0
214.15265	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	215.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37405	2.6
56.26701	2.7
59.01238	7.3
70.91193	2.8
71.01240	4.6
71.56726	3.1
97.06467	5.6
103.29411	2.7
112.17196	3.0
144.00833	20.5
151.32881	3.2
156.82062	3.4
188.58145	2.9
215.00909	100.0
215.03004	5.9
215.12762	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	213.1126
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
50.05840	0.3
57.03334	0.6
59.01254	0.8
65.01324	1.1
69.03332	0.9
69.51590	0.3
71.01270	0.5
71.04901	0.7
81.43088	0.4
83.02420	0.3
83.04864	0.5
91.02876	0.7
97.02833	0.4
97.06484	1.1
98.03612	0.4
106.04006	1.2
113.09566	0.6
115.07546	0.7
120.05542	0.3
125.09599	0.4
127.11180	0.5
130.04010	0.6
131.03545	0.4
137.09561	0.5
144.05513	0.8
151.11185	13.2
152.11507	0.8
169.12248	100.0
170.12582	6.7
171.06662	1.5
172.05000	0.4
172.06325	0.6
177.58199	0.3
186.06506	0.4
186.07907	0.5
187.06238	0.9
195.10170	1.2
196.10606	0.4
213.03465	0.4
213.05531	0.8
213.11247	17.3
213.14790	3.9
213.18515	1.5
214.07286	0.9
214.11507	1.1
229.89246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1333
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
53.64084	0.4
57.22598	0.3
59.01253	3.9
60.99160	0.9
69.35484	3.4
72.87708	0.4
81.03308	1.1
83.04900	1.2
85.06457	0.5
95.01265	0.4
95.04907	1.0
97.06462	3.9
109.02825	0.7
109.06464	0.9
111.08016	0.6
112.06388	0.3
123.00741	0.5
123.04408	0.4
130.04033	0.4
137.09560	0.5
139.07483	0.4
144.01920	0.4
145.05074	0.4
149.13252	1.8
157.05060	0.9
158.03459	0.5
165.12711	2.5
167.10725	0.7
167.14305	5.6
169.05093	0.5
175.11153	0.5
181.05011	0.6
183.13832	2.6
184.04904	0.5
193.12245	6.7
196.03650	0.7
209.11768	1.6
211.06065	1.1
211.13324	100.0
212.13663	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	211.1332
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.93572	0.3
59.01237	0.9
65.79303	0.4
69.03319	0.8
73.23655	0.3
79.88500	0.5
81.81476	0.3
83.04865	0.4
83.80875	0.3
98.19753	0.7
134.36649	0.3
155.10703	0.7
165.12788	0.5
166.90936	0.6
167.10661	0.8
167.14235	1.3
183.13817	15.4
184.14180	0.9
193.12238	3.8
194.12495	0.5
211.13326	100.0
212.13672	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	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
57.03323	0.4
59.01247	5.5
61.98703	1.5
67.01760	2.3
68.78529	0.2
69.03294	0.3
69.37019	2.5
72.99167	0.3
78.95778	0.6
79.85865	0.3
83.04888	0.8
85.06457	0.6
91.45823	0.3
95.01255	0.5
95.04893	0.4
97.06454	0.7
97.56042	0.3
103.91882	1.5
105.43142	0.3
105.53279	0.3
109.02812	0.4
111.00750	0.4
111.08015	0.3
121.02824	0.3
121.92127	0.4
123.00739	0.4
123.04376	0.3
123.08004	0.3
124.89377	0.5
125.05975	0.3
125.09602	4.3
136.89857	0.5
139.03882	0.3
151.11174	0.5
151.91693	0.3
165.12837	0.3
166.89612	0.5
166.90973	7.3
166.93727	2.6
167.10646	0.4
167.14313	3.7
168.14635	0.4
168.88902	0.3
181.01312	0.4
181.04979	0.4
183.13832	1.9
183.87617	0.4
183.92213	0.4
193.12381	0.6
196.03738	0.6
210.56581	0.3
210.90038	1.8
210.92734	0.8
211.13321	100.0
212.13667	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	209.1177
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03301	0.6
59.01236	1.1
60.72812	0.3
65.01333	0.4
69.03339	0.4
69.38198	0.5
69.38599	2.7
71.01243	0.5
80.02545	2.6
81.03313	2.1
83.04894	8.7
83.97716	0.3
84.05196	0.4
85.02808	1.6
91.02876	0.4
93.03338	0.4
95.04887	1.4
97.06477	0.8
98.02358	0.4
101.72995	0.3
106.04097	0.4
106.28125	0.3
109.06460	0.7
121.02842	13.8
122.03150	0.6
122.05992	0.6
123.04427	0.3
123.05482	0.3
124.03909	0.7
124.64551	0.4
125.05977	1.0
135.04402	0.4
135.08063	1.5
137.02397	0.6
147.11734	0.7
153.01874	0.5
156.05582	0.7
161.02325	0.6
162.44052	0.4
163.09079	0.4
163.11191	7.4
164.11516	0.3
165.01826	0.5
165.05554	0.4
165.12737	4.1
166.13132	0.4
167.03506	0.3
169.03841	0.4
179.03429	0.9
181.12233	1.2
182.04636	0.8
183.06708	1.2
186.80885	0.3
191.01851	0.4
191.10693	2.2
194.02135	0.9
194.05824	1.2
209.04558	2.1
209.11766	100.0
210.07869	0.4
210.12115	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	209.1178
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.44020	0.2
57.03321	1.2
58.89392	0.3
59.01251	100.0
60.01590	1.5
69.42361	2.2
76.50638	0.2
80.02557	0.4
81.03342	1.0
90.67289	0.3
97.06449	1.5
109.06480	1.9
121.02847	9.0
124.03892	0.3
161.02316	0.5
164.94028	0.7
165.05350	0.3
165.12773	2.8
172.68932	0.3
179.03413	0.6
183.06705	0.7
194.02046	0.7
194.05754	0.7
209.04422	1.4
209.11768	14.5
210.12119	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	209.1176
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
53.40850	0.7
53.85469	0.7
57.03317	5.6
59.01249	37.2
60.99185	0.7
69.03330	9.4
71.01265	0.9
71.04884	2.0
71.58436	1.0
74.41910	0.7
80.02551	0.8
80.91554	0.8
81.03313	1.5
83.01277	0.8
83.04897	4.3
85.02830	2.1
91.01766	1.2
93.03313	2.0
94.02866	1.7
95.04930	2.3
97.06467	11.2
103.91889	2.3
107.04935	0.8
108.05736	1.3
109.06464	1.7
111.08022	10.1
120.02069	1.1
120.95039	1.6
121.02843	100.0
122.03164	4.2
122.89319	0.9
124.03952	3.8
127.07514	1.0
135.04391	1.2
136.01588	2.3
136.98695	0.9
137.02402	1.1
137.06000	1.2
139.07561	0.9
147.11713	0.9
150.95911	0.7
151.03918	2.5
153.09134	3.1
160.66510	0.8
161.02359	2.3
163.11203	2.7
164.91502	1.4
164.94037	20.3
165.09058	1.4
165.12769	37.4
165.94113	0.8
166.13113	3.2
166.90953	0.9
166.94171	1.7
173.09827	0.8
176.04707	1.0
178.99840	1.0
179.03381	4.9
181.05109	0.8
181.12268	8.5
184.91988	1.1
191.10721	8.6
192.11046	1.1
194.02138	2.5
194.05763	3.9
203.54784	0.7
208.93071	6.2
209.04439	10.6
209.08191	3.9
209.11768	54.8
209.15247	7.3
210.07680	1.0
210.12152	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	209.1176
Annotation	Pulchellon
Peak:m/z	Relative Intensity
51.80581	0.9
56.55023	0.8
57.03318	6.2
58.00447	1.2
59.01251	12.1
69.03315	2.5
70.22268	2.0
70.22663	2.0
71.01250	26.5
71.04887	2.3
72.66543	1.0
73.02843	0.8
75.75354	0.8
80.02535	1.7
81.03329	2.0
83.01257	1.9
83.04884	5.7
84.02052	1.6
84.31835	1.0
85.02827	1.6
90.54742	0.9
93.03350	1.8
93.22928	0.8
95.04902	3.3
97.06443	6.0
108.02057	0.9
109.06406	1.1
110.03589	1.2
111.08041	3.8
121.02842	34.7
122.03156	1.6
123.08015	3.0
124.03922	1.2
125.02348	1.7
125.09605	7.9
134.03596	1.1
135.08020	2.5
137.09621	1.2
145.10078	2.1
147.08043	1.0
147.11682	3.7
149.09604	1.5
149.88123	0.9
151.07500	1.0
151.11182	32.8
152.11526	1.8
153.09158	1.6
153.12733	4.4
161.09613	1.7
163.11179	9.5
164.94016	5.6
165.09250	1.1
165.12747	21.1
166.13110	1.4
167.10692	1.1
173.04523	0.8
173.09628	2.7
178.99724	1.2
179.03458	1.1
179.10675	5.7
181.12256	45.9
182.12532	4.2
188.56775	0.9
191.10687	21.0
192.11044	2.0
208.93005	2.9
209.04445	4.7
209.11760	100.0
210.12112	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	209.1176
Annotation	(+)-Epijasmonic acid
Peak:m/z	Relative Intensity
57.03319	6.7
58.00457	0.8
59.01245	23.2
60.01582	0.7
69.03315	2.5
69.64734	4.3
71.01249	18.3
71.04881	2.1
73.02813	2.2
73.81651	0.6
80.02556	1.5
81.03330	2.3
83.01247	2.2
83.04886	6.3
84.02030	2.0
84.05247	0.6
85.02811	1.8
93.03336	2.6
94.02846	1.2
95.01241	1.1
95.04898	4.7
96.95861	0.9
97.02812	0.8
97.06466	5.7
98.20532	1.4
102.06975	0.7
103.91920	1.5
107.04885	1.2
109.06478	1.8
110.98321	0.7
111.08018	3.3
112.01517	0.8
120.02017	0.8
120.94997	1.1
121.02837	61.3
121.06410	0.8
122.03113	3.6
123.00788	0.7
123.08031	1.4
124.03933	2.7
125.02340	1.2
125.09637	7.4
134.03625	1.5
135.08055	1.5
136.01538	1.1
136.98679	0.8
137.09619	1.9
144.00522	1.3
145.10139	3.2
147.11667	2.9
149.09624	1.9
151.03902	0.8
151.07571	0.8
151.11177	29.8
152.11545	2.0
153.12727	3.8
161.02406	1.5
161.09651	1.3
163.11165	8.8
164.11581	0.9
164.91756	0.6
164.92839	1.0
164.94041	13.1
164.98207	0.9
165.09055	0.8
165.12759	27.4
166.13068	1.4
167.10649	1.4
173.09590	2.6
179.03381	2.3
179.10660	8.1
181.12248	38.8
182.12572	2.4
191.10696	18.8
192.10988	1.3
194.02168	1.9
194.05745	1.3
208.93080	3.1
209.04443	7.3
209.11757	100.0
210.12085	8.3
213.13847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
50.30109	0.3
52.33482	0.3
55.01755	3.0
57.03325	2.4
59.01250	4.4
65.05803	0.3
69.03328	0.9
70.44619	0.5
71.01235	0.4
71.04879	0.9
80.02537	1.3
81.03326	4.4
83.01251	31.9
83.04885	4.1
84.01608	0.6
84.02038	1.2
85.02827	0.4
92.11849	0.3
93.03318	0.9
95.04888	1.8
97.02799	0.5
97.06463	4.9
98.06828	0.3
98.20374	0.5
99.00774	0.3
99.04408	0.3
106.04127	0.4
108.02056	0.5
109.06461	0.6
110.03617	0.4
111.08050	0.6
121.01951	0.7
121.02837	14.0
122.03185	0.8
123.08040	2.4
124.03909	0.6
125.09606	27.7
126.09963	1.3
134.03571	0.4
135.08066	2.4
142.02582	0.4
147.11685	1.0
149.09596	0.5
153.12819	0.4
163.11191	11.1
164.11493	0.5
164.94058	1.7
165.12761	3.8
167.10681	0.9
173.09612	0.5
179.03319	0.3
181.12312	1.6
191.10696	8.8
192.11154	0.4
194.05731	0.3
208.92995	0.6
209.04462	1.3
209.11755	100.0
210.12090	8.1
210.13640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
54.53335	0.3
59.01249	11.1
66.14210	0.4
69.03335	0.7
70.60322	1.1
70.60701	0.6
81.03323	0.5
83.01255	1.5
83.04883	0.8
85.02813	0.5
91.01768	0.5
93.03341	0.7
95.04886	0.4
95.45622	0.4
97.06474	0.4
103.91908	0.9
109.02883	0.4
109.06416	0.5
109.87424	0.4
117.22732	0.4
120.02100	0.7
121.02837	31.2
122.03165	1.2
122.89244	0.4
124.03935	0.8
125.09609	1.6
136.01466	0.5
151.03804	0.5
161.02377	0.6
163.11198	1.2
164.94022	7.0
165.12770	1.2
166.94270	0.4
167.10646	0.8
179.03410	1.3
181.12265	0.6
191.10674	0.8
194.02122	0.7
194.05792	1.6
201.66638	0.4
208.93027	1.7
209.04449	4.5
209.11763	100.0
210.12117	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	209.1176
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01748	3.2
57.03316	2.5
59.01246	13.0
69.03321	1.2
71.01245	1.7
71.04887	1.2
71.28746	0.8
80.02538	1.4
81.03323	4.8
83.01251	28.6
83.04890	3.9
84.01575	0.5
84.02036	1.2
85.02819	0.9
89.40323	0.3
91.01817	0.4
93.03326	1.1
94.02824	0.6
95.04892	2.1
95.99004	0.3
96.95855	0.6
97.02804	0.4
97.06460	5.4
99.00760	0.4
99.04394	0.4
103.91898	1.3
106.04076	0.4
107.04942	0.7
108.02043	0.5
109.02818	0.6
109.06467	1.0
111.08064	0.7
120.02039	0.6
121.02833	43.0
121.06493	0.5
122.03105	1.9
123.00758	0.4
123.04401	0.5
123.08019	2.5
124.03937	2.0
125.05994	0.4
125.09602	23.8
126.09931	1.0
134.03603	0.7
135.04346	0.4
135.08044	2.6
136.01549	0.6
137.02359	0.5
137.05936	0.5
137.09570	0.5
147.11682	1.2
151.03876	0.4
151.11186	1.6
161.02306	0.7
161.09633	0.5
163.11183	10.9
164.11496	0.5
164.94029	7.7
164.98128	0.4
165.05513	0.4
165.09065	0.4
165.12753	4.2
165.94258	0.4
166.94217	0.4
167.10696	0.6
173.09636	0.7
176.04773	0.5
177.08987	0.4
178.99759	0.5
179.03436	1.4
181.12241	2.6
182.12616	0.4
191.10684	9.1
192.11096	0.6
194.02141	1.0
194.05809	1.3
208.93057	3.0
209.04504	4.9
209.11751	100.0
209.93062	0.5
210.05083	0.4
210.12077	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	209.0297
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
57.03331	9.3
59.01243	16.3
68.99673	2.9
71.01242	27.3
71.32722	2.5
71.33060	3.5
72.99185	7.0
73.02815	2.6
75.00756	4.3
83.01225	2.3
84.02032	2.9
85.02819	100.0
87.00757	3.4
89.02314	11.7
103.00201	3.2
111.00790	3.1
121.02832	5.8
129.01816	5.9
132.74683	2.1
133.01337	12.6
147.02863	4.4
153.01715	2.3
178.99695	2.2
191.01869	12.8
194.02127	2.3
194.05817	4.5
209.01025	4.4
209.02885	24.8
209.04578	2.9
209.08018	3.0
209.11774	6.7
209.15564	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	209.1178
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
53.57321	0.9
55.01759	1.0
57.03314	2.6
59.01252	36.8
69.03304	1.6
71.01246	1.2
80.02528	1.0
81.03324	2.1
83.01256	15.9
83.04900	8.4
84.02021	1.0
85.02806	1.5
91.01775	1.0
92.52412	0.7
92.53045	0.8
93.03319	1.1
94.02878	1.6
95.04893	2.3
96.95914	1.2
97.06459	5.3
103.91909	2.5
109.06438	0.9
118.94096	1.3
120.02033	0.9
120.94988	1.6
121.02848	91.5
122.03178	3.7
123.08050	2.2
124.03901	3.6
125.09617	21.7
126.09914	1.5
135.08034	1.0
136.01559	1.1
137.02383	1.6
137.05952	1.4
137.09589	1.0
149.09621	1.0
151.03918	1.0
161.02362	1.8
163.11195	6.5
164.94040	21.3
165.05409	1.0
165.09193	1.1
165.12746	7.9
165.94312	0.8
167.10696	23.8
176.04752	1.1
179.03418	3.9
179.55676	0.8
181.12291	2.0
182.87828	0.9
184.91991	1.8
191.10696	4.4
194.02121	3.3
194.05789	3.5
208.93091	6.6
209.04443	11.6
209.11774	100.0
210.12128	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	207.0656
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
54.79440	0.2
54.83596	0.2
56.08998	0.2
57.14724	0.2
59.01244	0.6
67.46400	0.1
69.54185	0.4
69.54591	1.0
77.03851	0.2
95.04901	0.4
98.20550	0.3
100.80904	0.2
105.03336	4.8
109.06465	0.6
119.01334	0.2
121.02846	0.3
123.04388	0.6
132.02055	0.3
133.02844	36.3
134.03181	2.0
149.02328	2.0
151.03886	0.6
163.03918	0.2
163.11206	0.2
164.04694	3.0
165.05116	0.2
177.01845	13.4
178.02185	0.8
192.04204	100.0
193.04539	7.4
207.06563	17.6
207.09923	0.5
207.13789	0.9
208.06897	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0296
Annotation	D-mannaric acid
Peak:m/z	Relative Intensity
53.75301	0.7
54.19283	0.6
54.29213	0.6
55.01759	3.4
57.03320	17.0
58.00463	1.1
59.01247	22.7
60.59910	0.6
68.99680	3.0
69.82016	2.9
69.82429	1.5
71.01250	46.5
72.01570	0.8
72.99177	11.2
73.02789	1.4
73.92244	0.6
75.00741	9.3
80.96372	1.3
83.01249	3.1
84.02039	3.5
85.02815	100.0
86.03153	2.4
87.00748	12.5
89.02316	13.9
98.19798	0.8
99.00743	2.2
101.02313	1.8
103.00231	2.4
111.00777	4.3
112.98678	2.5
115.00246	3.2
121.02798	0.8
124.98713	1.3
127.32666	0.7
129.01817	10.4
132.88556	0.6
133.01306	10.5
142.52753	0.8
142.99754	10.7
147.02876	2.3
173.00787	3.1
191.01898	15.1
209.02962	20.7
209.04878	1.3
209.06311	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	206.0817
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
52.15123	0.6
55.09641	0.5
58.02847	42.0
59.03169	0.6
64.64967	0.7
70.02853	13.0
70.89445	1.2
70.89781	0.8
71.41805	0.6
72.00771	6.6
90.69177	0.7
91.05404	13.7
113.28776	0.6
135.04407	1.5
141.11227	0.6
144.70355	0.7
147.04413	36.6
148.04729	2.3
162.09146	0.9
164.07077	100.0
165.07465	5.5
192.04323	0.8
206.08156	35.5
207.08534	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	207.0503
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
50.33133	1.6
55.01757	3.7
57.03317	3.2
58.00467	5.6
59.01245	39.3
65.99728	2.0
66.39294	1.6
68.99699	2.1
71.01250	36.9
71.56239	1.8
71.56608	2.0
72.99177	35.1
73.02813	13.7
73.93760	1.6
75.00755	10.3
81.61237	1.8
83.01263	9.1
84.02061	2.3
85.02821	22.8
87.00748	22.5
89.02303	13.7
95.01251	6.3
99.00746	15.7
101.02332	10.2
103.00252	2.5
108.96156	1.7
109.02817	4.6
111.00718	1.8
113.02317	13.7
115.00266	4.0
117.01813	100.0
125.02339	4.2
127.03918	3.7
129.01799	11.1
131.03403	5.0
133.01300	3.5
137.02321	2.7
140.03015	1.8
145.04971	3.0
147.02882	2.5
149.04471	5.3
157.01318	2.4
171.02870	6.5
189.04002	4.1
192.04228	3.2
207.03050	2.7
207.05022	54.6
208.02364	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	9.6
57.03310	6.0
58.00460	2.7
59.01246	56.9
60.99155	2.4
65.00172	2.1
68.99686	12.4
70.40874	8.4
71.01250	90.6
72.01639	2.1
72.99174	45.7
73.02827	9.3
75.00743	40.4
83.01242	14.2
84.02043	2.0
85.02821	20.3
87.00745	46.3
88.01072	2.6
89.02316	6.0
96.99198	9.9
99.00757	37.0
99.04412	2.9
101.02341	12.6
103.00253	8.6
109.97523	2.4
111.00769	19.1
112.98683	9.0
115.00249	100.0
115.03935	2.8
116.00556	3.0
117.01826	15.6
124.98677	8.9
125.02333	7.7
127.00254	8.3
129.01854	14.3
130.99744	20.7
142.99747	21.8
144.00554	4.5
145.01312	28.6
154.99718	13.1
157.01321	6.8
163.11206	4.1
173.00861	6.4
175.02341	7.1
187.02345	3.8
205.03426	9.1
205.12285	8.0
205.15916	10.8
206.04243	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	205.159
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01231	0.3
71.06099	0.3
71.07175	0.1
74.03994	0.1
74.47520	0.1
78.41788	0.1
92.65836	0.1
108.81844	0.1
133.02861	0.1
133.06497	0.1
162.89244	0.2
189.12767	2.0
190.13019	0.2
205.15907	100.0
206.16248	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	201.1489
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
51.47214	0.3
58.02837	0.4
58.07622	0.3
59.01248	25.8
59.69619	0.3
60.01594	0.3
63.56960	0.3
65.01313	1.5
65.99699	0.6
70.64189	0.6
73.02811	0.5
82.03969	1.0
92.02419	0.4
95.01239	0.3
97.06493	0.4
99.92440	2.8
106.03985	0.7
124.05062	0.3
125.09584	0.7
130.03967	0.3
131.03499	0.4
132.05556	1.4
133.03958	1.0
133.05017	0.7
139.11157	1.4
141.93518	3.2
142.03925	0.4
146.07216	0.3
153.12738	0.4
155.14308	5.5
157.03351	0.4
158.03534	0.6
159.01379	1.2
159.06664	0.7
160.05020	0.4
164.83549	0.8
173.05891	1.2
174.06682	0.6
175.06145	1.0
183.13831	1.9
199.13298	0.9
201.02470	2.3
201.05519	1.7
201.07657	1.0
201.11217	3.0
201.14879	100.0
201.80142	0.5
202.05353	0.3
202.07274	0.5
202.15205	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	203.0189
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
50.18561	1.9
57.03317	3.7
58.02835	3.2
59.01238	9.4
60.99166	4.5
68.99665	2.7
69.03323	75.8
70.03651	2.8
70.25332	2.1
71.01249	65.6
71.37241	3.3
71.37582	2.6
72.99194	10.7
73.02817	3.5
75.00732	6.6
79.01759	4.1
83.01248	2.7
85.02816	16.0
87.00758	19.2
94.14539	2.2
95.01257	10.1
97.02821	100.0
98.03171	3.1
99.00735	4.8
100.03918	2.3
105.01817	3.0
109.65984	2.0
111.00747	4.9
113.02327	4.9
115.00290	11.6
115.07512	2.2
123.00760	3.9
125.02311	2.6
127.00205	2.3
129.01816	6.4
141.01828	28.9
143.07016	4.5
158.08133	3.8
159.02916	3.1
161.08115	6.9
185.04497	2.6
186.07709	3.8
203.01894	94.1
203.07182	3.4
203.10696	2.9
204.02272	5.8
204.08670	8.6
207.94472	2.6
223.24884	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	203.0819
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01230	1.0
61.09860	0.7
63.24696	0.7
70.99584	2.1
72.00775	21.4
74.02341	33.1
93.64776	0.9
116.04940	100.0
117.05249	5.4
130.06500	3.5
142.06519	24.8
143.06900	1.6
157.07614	2.0
159.09169	19.1
161.04802	1.0
186.05537	4.3
199.41855	0.9
203.08189	60.1
204.08488	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
53.92184	0.5
57.03323	6.9
58.02839	0.7
59.01247	15.9
65.01320	3.2
65.99712	1.6
69.03323	1.4
70.73367	1.5
74.52651	0.5
82.03981	1.7
85.02849	0.7
91.02898	1.4
99.92489	1.4
105.04420	0.6
106.03986	1.4
107.02408	0.8
111.08009	4.7
116.02392	0.8
119.02357	0.7
119.37743	0.6
120.05562	0.6
121.03973	0.9
121.05132	0.7
130.03993	0.9
131.03560	0.7
132.05569	2.4
133.03967	1.6
133.05084	1.4
134.03548	0.8
137.09625	2.5
139.11182	90.8
140.11511	5.0
141.93539	1.0
145.02841	0.9
147.05580	0.7
148.05067	0.7
157.12260	1.5
158.03485	1.0
158.06010	0.6
159.02869	1.1
159.04247	0.5
159.06665	1.8
160.05048	1.5
173.02341	1.1
173.06009	1.8
174.03020	0.9
174.06622	2.9
175.06180	2.9
183.10176	28.2
184.10518	2.4
201.01958	2.1
201.05508	2.7
201.07710	2.5
201.11244	100.0
202.07332	1.4
202.11545	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	199.1334
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
52.52561	0.2
54.66812	0.2
57.03313	0.6
65.01315	0.8
68.99682	0.2
70.73825	0.3
70.74175	0.4
71.01282	0.2
71.04902	0.7
83.04938	0.5
84.04540	0.2
85.02830	0.4
85.06479	0.3
91.02891	0.3
97.06467	0.3
99.00757	0.6
99.08028	0.3
106.04025	0.4
111.00743	0.3
116.02473	0.2
118.04062	0.2
125.09615	1.7
127.11189	4.9
130.04031	0.7
131.03523	0.2
134.03589	0.3
137.09607	0.3
146.03503	0.2
153.12747	1.1
154.99733	0.2
155.10658	0.7
155.14334	0.8
157.05115	0.6
158.03458	0.3
162.83836	1.0
163.11201	0.9
164.83533	0.8
169.12247	0.6
171.10229	0.3
172.05074	0.6
172.07159	0.2
173.04602	0.3
181.12294	1.0
197.11784	2.1
199.13336	100.0
199.80455	0.7
200.05682	0.2
200.13692	8.4
201.73747	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1124
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.69149	1.0
57.03313	3.0
59.01249	6.8
60.99197	1.2
65.01300	3.3
65.99708	2.0
66.95928	1.1
68.93330	1.2
69.03329	3.2
71.04906	1.0
71.57921	1.7
72.99178	55.1
73.02837	1.2
77.40655	0.9
80.02555	1.1
81.03332	7.5
82.03971	1.5
83.04896	34.2
85.06471	5.5
91.02891	2.2
97.02834	11.1
97.06467	1.3
99.08025	2.2
106.03951	1.3
121.05140	1.6
121.10112	41.8
125.09553	1.5
126.03118	1.3
127.11170	2.2
132.05597	2.2
137.09618	13.8
137.61214	1.3
138.09924	1.5
139.11182	91.9
140.11526	4.4
147.04099	1.1
155.10632	2.9
157.12241	3.1
160.05092	1.6
173.05972	1.5
174.06644	3.1
175.06152	2.4
180.89737	1.0
182.06697	1.3
183.10185	58.2
184.10547	3.1
201.03990	1.3
201.05721	2.0
201.11244	100.0
202.07414	1.3
202.11583	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	197.1541
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
53.28828	0.4
54.99373	0.4
55.01750	0.5
57.03333	2.9
59.01239	1.4
59.63665	0.4
60.36358	0.4
61.98703	1.0
65.01305	0.5
69.03325	1.4
69.34885	1.0
69.35294	3.5
71.04881	1.5
73.02831	0.5
80.02538	1.7
81.03329	3.4
82.02876	0.8
83.04898	12.7
85.06461	0.8
87.62492	0.4
93.03330	1.1
94.45371	0.5
95.01250	1.0
95.04897	6.1
97.06466	28.9
98.06796	0.8
98.20515	0.7
106.04163	0.4
107.04951	0.7
108.02104	0.4
109.02846	0.7
109.06493	2.9
111.04504	0.4
111.08043	22.9
112.01609	0.6
112.03935	0.8
112.08381	0.8
116.92724	0.6
119.13293	0.4
121.02834	1.6
122.66399	0.4
123.00761	5.5
123.04446	0.9
123.08064	0.8
125.02282	0.5
125.09629	0.5
126.90446	0.6
130.99178	0.7
135.08035	1.0
137.02361	0.8
137.09627	0.7
138.03058	0.7
147.11729	3.1
149.09619	1.8
153.01888	0.5
153.05498	1.1
153.09082	0.8
153.12743	3.3
154.91132	0.5
155.07057	0.9
158.82802	0.4
160.75519	0.5
160.84125	12.6
161.84196	1.0
162.83824	30.0
163.11195	9.0
165.12762	100.0
165.71637	0.4
166.13100	7.5
166.99771	3.2
169.01405	0.4
171.06657	0.5
178.99825	0.6
179.10718	0.7
182.02130	7.0
197.04466	2.5
197.08141	1.1
197.11729	3.0
197.15431	1.9
197.80739	17.0
198.07724	0.7
209.11778	7.6
210.12106	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1332
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
54.79905	0.4
59.01250	1.3
62.06013	0.5
65.01310	1.5
65.99703	0.6
69.41529	4.3
83.04901	1.0
85.77035	0.4
99.00756	0.8
99.08041	0.7
106.03984	0.5
111.00723	0.5
122.19194	0.5
127.11271	0.5
130.04013	0.8
153.12685	0.6
155.10678	2.5
157.05061	1.0
158.03503	0.9
161.58690	0.5
163.11163	1.2
169.12253	6.4
170.12601	0.6
172.05023	1.1
173.04584	0.6
181.12251	22.8
182.12587	0.9
197.11781	1.9
199.06151	1.7
199.13324	100.0
199.80415	0.5
200.09448	0.7
200.13663	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	197.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75872	0.2
59.01251	1.2
59.26024	0.2
61.23532	0.2
61.98713	0.3
69.03329	2.2
71.01279	0.3
71.04871	0.2
81.03331	0.3
83.04903	1.3
85.06503	0.2
93.03345	0.3
95.01257	0.5
95.04939	0.3
97.06472	0.7
99.08020	0.4
109.06518	0.3
112.01494	0.3
112.03895	0.3
116.92757	0.4
121.02833	0.6
123.00750	1.7
123.08067	0.4
125.02347	0.3
125.09589	0.6
126.90402	0.4
137.02344	0.5
137.09621	0.3
138.03142	0.5
141.09122	1.0
151.11180	0.9
153.01791	0.3
153.05437	0.3
153.09132	2.1
153.12756	5.6
160.84129	6.4
161.84164	0.4
162.83827	17.5
166.99779	1.5
167.10651	0.3
169.12260	18.6
170.12575	1.6
178.87207	0.2
179.10733	2.0
182.02118	3.1
183.02570	0.3
197.04512	0.9
197.11771	100.0
197.80742	9.9
197.82126	0.2
198.12128	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.99841	0.3
57.01482	0.3
58.34052	0.3
59.01243	1.1
69.03313	2.0
70.38413	0.6
70.38811	0.6
83.04912	1.3
95.01257	0.5
97.06467	0.4
98.00950	0.2
99.08044	0.4
116.92710	0.3
121.02850	0.5
123.00818	1.4
123.08017	0.4
125.02333	0.3
125.09590	0.5
141.09126	1.0
151.11171	0.8
153.09106	1.8
153.12764	5.1
154.12943	0.5
160.84135	4.3
162.83823	10.6
165.72566	0.3
166.99789	0.8
169.12259	17.6
170.12567	1.0
179.10674	2.4
182.02191	2.1
184.72437	0.3
197.11768	100.0
197.80737	7.4
198.12093	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01245	1.8
65.01308	1.6
69.03322	2.1
69.91900	2.8
71.81104	0.5
72.72865	0.5
83.04900	1.6
95.01248	0.6
97.02835	0.6
103.92199	0.5
109.02856	0.7
109.06486	0.7
111.00811	0.5
111.04476	0.5
112.01569	0.9
121.02866	1.3
122.18069	0.5
123.00785	3.3
125.02367	0.8
125.09589	0.6
126.90440	0.7
137.02324	0.7
138.03102	1.0
141.09148	0.8
144.05569	0.5
153.05482	0.9
153.09084	2.7
153.12758	4.0
156.05634	0.7
157.05103	1.0
160.84128	9.2
162.83818	22.8
166.99796	2.9
169.12251	16.1
170.12601	1.6
171.06670	1.6
179.10675	1.8
182.02109	7.7
197.04538	2.7
197.08208	3.3
197.11749	100.0
197.80734	12.3
198.04071	1.0
198.07808	1.3
198.12126	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01247	0.5
63.12496	0.2
69.03311	0.6
71.04888	1.2
93.40267	0.3
95.01302	0.3
95.04899	0.6
97.06466	14.9
98.06807	0.9
99.08035	4.3
109.02828	0.4
109.06461	0.6
111.04383	0.2
111.08041	0.5
121.02878	0.3
122.03629	1.5
123.00782	1.1
123.04417	0.3
125.02345	0.4
125.09626	0.9
126.03091	1.1
135.08206	0.3
137.02338	0.3
137.09604	1.8
138.03134	0.3
151.11201	1.0
153.12750	100.0
154.13086	7.0
154.91211	0.2
156.05573	0.4
160.84116	2.3
162.83824	6.4
166.99847	1.1
171.06674	0.3
179.03561	0.3
179.10696	21.2
180.11035	1.3
182.02141	2.4
190.99896	0.2
196.98422	0.3
197.01981	0.7
197.04419	0.7
197.08200	0.4
197.09935	0.5
197.11761	8.2
197.15442	0.5
197.80731	3.6
198.12030	0.3
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
55.01751	3.7
57.03323	7.0
58.00463	2.0
59.01252	35.0
67.01761	1.4
68.99684	2.2
69.03333	17.1
69.62611	8.9
71.00663	1.4
71.01257	48.7
72.99187	11.5
73.02821	55.0
74.03149	1.5
75.00745	1.8
79.01772	3.4
81.03336	5.8
83.01252	20.0
84.02039	1.6
85.02824	65.2
85.99973	5.5
87.00219	2.6
87.00752	49.3
89.02319	4.6
95.01262	10.0
97.02826	24.9
99.00758	45.4
101.02325	82.5
102.02670	1.8
103.00234	2.7
103.03870	1.4
109.02757	1.1
111.00780	4.3
112.01532	3.4
113.02325	16.9
115.03899	3.7
117.01844	3.6
119.13390	1.3
123.00784	5.2
125.02347	25.2
125.40064	1.2
127.03880	3.1
129.01839	2.4
131.03389	4.2
140.01050	5.9
141.01834	24.8
141.07234	1.2
142.02600	4.1
143.64781	1.2
155.03410	12.4
157.04942	2.0
159.02956	3.1
161.04462	100.0
162.04799	4.1
173.04515	1.3
175.06035	7.2
191.05569	3.7
193.01248	1.2
193.07111	67.4
194.07481	1.9
207.39175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0195
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
54.02425	0.4
55.63154	0.3
58.84538	0.3
59.01233	0.9
64.01783	1.2
65.01317	0.6
65.03829	1.3
65.99724	0.6
70.15812	1.4
71.01231	0.3
81.03327	0.6
83.04881	0.4
83.55925	0.3
85.02781	0.3
93.03350	0.9
95.01244	1.1
99.08025	1.0
106.03986	0.5
109.02829	12.6
110.02385	0.6
110.03156	0.6
112.01574	0.4
121.02838	1.3
122.02354	0.5
123.00755	2.7
123.04385	0.4
125.02340	0.9
126.90360	0.8
137.02335	17.5
137.77429	0.3
138.01831	1.1
138.02786	0.7
139.00272	0.4
139.02625	0.5
139.03722	0.3
140.03416	3.9
150.01846	3.0
153.05443	0.9
153.09149	0.9
153.12708	0.5
154.91220	0.5
156.05565	0.7
157.05055	0.5
160.84119	5.4
161.84160	0.5
162.83818	14.5
166.01390	0.8
166.99879	1.9
167.02145	9.5
169.12283	0.7
171.06668	1.0
171.72594	0.4
173.57535	0.4
180.01678	13.8
181.02068	0.5
182.02124	4.5
197.01962	100.0
197.08124	1.2
197.11743	5.3
197.15398	5.4
197.80722	8.8
198.02301	5.0
198.04047	0.5
198.12022	0.4
198.15862	0.6
212.00703	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	193.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	5.6
57.03316	6.1
58.00468	2.9
59.01247	28.9
60.01587	0.5
63.57170	0.5
67.01753	1.0
68.99685	1.5
69.02944	1.0
69.03319	15.7
71.01250	47.0
71.14746	1.4
72.01584	1.0
72.99179	6.2
73.02814	47.9
74.03156	0.8
75.00735	2.4
79.01775	2.1
80.61942	0.4
81.03326	4.6
83.01249	19.6
84.01588	0.8
84.02047	1.7
85.02819	52.7
85.99966	7.5
86.03149	1.3
87.00747	41.3
88.01075	0.7
89.02311	4.5
95.01254	10.2
97.02824	23.0
98.03166	1.0
99.00750	43.2
99.04384	0.5
100.01570	1.1
101.02316	73.1
102.02652	1.6
107.01261	1.6
109.02829	0.7
111.00753	4.5
111.53478	0.4
112.01547	3.6
113.02324	12.2
115.03880	3.0
117.01786	2.3
123.00764	5.3
124.01566	2.9
125.02325	19.0
126.02679	0.8
127.03919	1.9
129.01823	1.6
130.02400	0.6
131.03383	0.8
134.03615	1.0
139.00249	0.6
139.03842	0.5
140.01057	5.7
141.01826	20.4
142.02631	3.0
143.03418	1.0
149.06003	0.5
155.03395	12.3
157.04947	1.0
159.02878	3.8
161.04456	100.0
162.04759	3.8
173.04471	1.9
175.05997	4.0
178.02597	1.8
191.05527	2.8
193.07095	67.3
194.07405	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	193.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70926	1.5
55.01742	3.6
57.03328	2.0
58.00460	2.5
59.01249	23.7
68.99671	1.6
69.03306	8.6
70.34039	4.6
71.01248	34.8
71.98892	1.9
72.31005	1.5
72.99180	4.8
73.02816	36.3
75.67699	1.5
79.01788	2.1
79.30069	1.4
81.03329	4.5
83.01249	12.7
85.02820	35.2
85.99969	3.5
87.00750	31.9
89.02299	2.1
95.01249	8.2
97.02827	15.5
99.00752	30.9
101.02317	53.9
109.02834	3.9
111.00780	2.9
113.02343	9.0
114.27986	1.6
115.03881	2.1
117.01775	2.7
123.00778	2.6
125.02309	15.7
127.03859	2.7
131.03395	2.9
131.47739	1.6
136.54645	1.4
140.01048	3.4
141.01830	16.9
142.02571	2.2
155.03429	10.1
159.02888	3.8
161.04457	100.0
162.04788	4.4
175.06009	5.8
191.05479	4.2
192.05678	1.8
193.07103	77.3
194.07439	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	193.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	6.6
57.03318	7.2
59.01241	47.6
69.03323	20.9
69.87901	3.4
69.98344	15.7
71.01250	60.9
71.34592	3.2
72.60489	3.7
72.99159	7.0
73.02810	60.3
81.03320	6.5
83.01250	23.0
85.02819	70.6
85.99977	8.9
87.00745	63.4
89.02319	5.3
95.01274	12.1
97.02827	27.0
99.00752	54.7
101.02319	90.0
113.02267	17.3
117.40218	4.4
123.19844	3.6
125.02330	25.3
131.26328	3.7
140.01013	6.2
141.01804	24.8
142.02672	5.1
155.03383	16.3
159.02867	4.4
161.04446	100.0
162.04837	4.5
175.05998	4.3
193.07068	67.3
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	Methyl caffeate
Peak:m/z	Relative Intensity
55.01757	2.0
57.03332	2.2
58.00461	0.9
59.01248	9.0
67.01760	0.4
69.03329	5.8
69.93513	1.8
71.01250	14.2
72.99190	2.2
73.02814	14.5
75.00735	0.7
79.01770	0.8
81.03323	1.1
83.01247	6.0
84.02026	0.4
85.02819	16.8
85.99957	2.6
87.00745	12.3
89.02336	1.5
93.03326	1.0
95.01257	4.2
97.02824	7.0
98.20469	0.6
99.00750	14.3
100.08054	0.4
101.02314	18.6
102.02634	0.6
106.04140	0.8
109.02827	0.9
111.00750	2.1
112.01573	0.7
113.02350	3.6
115.03897	0.8
117.01831	0.6
120.50330	0.4
121.02835	2.9
123.00738	2.0
123.21798	0.4
124.01578	0.5
125.02328	6.2
127.03910	0.8
132.02097	0.5
133.02847	21.2
134.03645	21.0
135.03938	1.1
137.02338	14.7
138.02681	0.8
139.03896	5.1
140.01048	1.7
141.01820	5.9
142.02618	1.0
149.02316	0.8
149.06026	0.8
150.03133	1.8
155.03409	3.0
159.02885	1.2
161.02350	29.0
161.04468	26.1
162.02687	1.3
162.04787	0.9
165.01964	0.5
168.99245	0.4
173.04486	0.5
175.06027	1.3
178.02623	7.5
191.05566	0.8
193.04996	100.0
193.07042	14.4
194.05353	6.1
194.07266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0499
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.01754	2.4
57.03326	3.1
58.00459	1.6
59.01248	13.8
67.01746	0.9
68.11499	0.6
69.03328	6.9
71.01251	20.5
71.45706	1.0
72.99183	2.3
73.02815	18.4
75.00752	1.0
79.01783	0.8
81.03323	1.8
83.00378	0.6
83.01257	8.6
84.43748	0.6
85.02819	22.9
85.99986	4.3
87.00755	17.8
89.02312	1.6
89.03852	0.9
91.95697	0.6
93.03324	2.1
95.01252	4.5
97.02818	11.1
99.00758	18.5
101.02316	26.0
102.02671	0.9
106.04131	2.3
106.48279	0.7
109.02837	1.4
111.00758	3.7
112.01530	1.5
113.02324	4.5
115.03879	1.1
117.01818	1.5
121.02859	3.6
123.00768	2.6
124.01566	1.7
125.02324	10.6
129.01782	1.1
133.02841	5.9
133.17674	0.6
134.03627	100.0
135.03958	4.9
137.02338	20.9
139.03900	7.6
140.01047	1.8
141.01831	7.6
142.02614	0.7
149.02312	1.7
149.05980	20.1
150.03105	2.7
155.03398	5.0
161.04460	39.1
162.04726	0.7
165.01816	0.8
173.04561	0.7
175.06036	1.4
178.02628	68.2
179.03020	3.3
182.03140	0.7
191.05609	1.2
193.01453	1.5
193.04999	22.4
193.07103	22.6
193.08817	1.4
194.05408	1.2
194.07425	1.4
214.96307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0552
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03320	1.0
57.03571	0.2
58.00449	0.3
58.15053	0.1
59.01250	3.7
60.99165	0.2
65.27329	0.2
67.01762	1.2
69.03324	1.0
71.01248	2.3
71.04922	0.2
72.99162	0.2
73.02801	1.1
78.61342	0.1
81.03347	1.1
83.01275	0.2
83.04893	1.3
85.02817	27.6
86.03156	0.8
87.00748	5.5
90.23862	0.1
93.03333	9.6
94.03648	0.3
95.01255	0.3
99.00739	0.4
99.04397	1.1
101.02321	0.4
108.02075	0.3
109.02829	2.5
111.00762	1.4
111.04408	2.5
113.02290	0.4
118.78336	0.2
127.03889	5.4
129.01860	0.3
137.02356	0.5
143.03439	0.2
155.03340	0.4
171.02882	1.6
173.04451	2.1
176.01086	0.9
191.05527	100.0
192.05875	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	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03311	0.7
58.00460	0.2
59.01247	3.8
60.99178	0.3
66.13654	0.1
67.01759	1.1
69.03333	1.0
69.89387	0.9
71.01247	2.6
71.35501	0.1
72.99194	0.2
73.02824	1.1
81.03310	1.1
83.01241	0.2
83.04898	1.2
85.02817	26.1
86.03156	0.6
87.00742	5.1
88.01110	0.2
91.01797	0.3
93.03330	8.8
94.03675	0.2
95.01279	0.4
96.01984	0.2
98.20520	0.3
99.00758	0.3
99.04384	1.3
101.02286	0.2
108.02052	0.3
109.02822	2.3
111.00772	0.6
111.04392	3.1
111.33398	0.2
113.02302	0.3
119.01281	0.3
125.02367	0.2
125.19949	0.2
127.03889	5.7
129.05409	0.2
137.02353	0.4
140.40106	0.1
141.03723	0.2
143.03404	0.2
153.01813	0.3
155.03377	0.5
163.00294	0.9
171.02895	1.3
173.04453	1.9
176.01067	0.5
191.05522	100.0
192.05864	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	191.0553
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
55.01757	0.5
57.03316	3.0
58.00439	0.3
59.01247	6.2
60.99170	0.4
67.01752	1.3
69.03316	0.7
71.01248	4.6
72.99175	0.8
73.02809	1.5
73.99247	0.2
75.00760	0.4
81.03320	1.4
83.01240	0.5
83.04887	0.9
84.02039	0.3
85.02818	31.3
86.03138	0.5
87.00742	12.3
87.04443	0.2
88.01077	0.4
89.02298	2.1
93.03326	7.4
94.03651	0.4
95.01236	0.3
96.14390	0.2
97.02808	0.4
97.05022	0.2
98.20557	0.5
99.00751	1.0
99.04398	1.2
101.02317	5.6
101.05935	0.3
109.02811	2.1
111.00756	14.6
111.04403	2.5
112.98684	2.1
113.02316	0.5
115.00247	0.4
117.01802	0.3
127.03887	4.5
129.01840	1.7
129.05467	2.1
137.02373	0.3
143.03345	0.2
147.02878	0.3
153.01775	0.3
155.03455	0.6
165.04999	0.3
166.82059	0.2
171.02853	1.3
173.00778	0.3
173.04448	2.7
191.02036	2.4
191.05524	100.0
192.05873	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	191.0553
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03310	1.0
59.01246	4.3
67.01762	1.0
69.03327	1.0
69.81889	1.9
69.82294	1.0
71.01254	2.0
73.02811	1.4
81.03308	1.5
83.01228	0.4
83.04897	0.9
85.02818	28.6
86.03146	0.7
87.00739	5.1
91.01765	0.4
93.03330	8.8
95.01231	0.7
99.04380	1.0
99.87923	0.6
100.53165	0.5
109.02833	2.7
111.00774	0.8
111.04361	2.5
125.79939	0.5
127.03911	5.7
147.68578	0.5
155.03397	0.6
171.02905	1.1
173.04460	2.4
176.01085	1.5
189.09596	0.5
191.05528	100.0
192.05908	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	185.1177
Annotation	10-Oxodecanoate
Peak:m/z	Relative Intensity
57.03328	0.5
59.01253	100.0
60.01593	1.3
65.01322	1.7
65.99700	0.4
69.03330	0.3
69.57549	1.7
69.57972	0.8
78.95796	0.4
81.03370	0.4
83.04942	0.4
89.01310	0.3
91.02895	0.9
97.06522	0.5
106.03976	0.4
115.02912	0.4
116.02441	0.8
117.02082	0.3
119.04769	0.5
120.05495	0.4
121.05087	2.2
123.08039	0.5
125.87244	0.6
132.05630	0.6
132.87541	0.3
140.89580	1.4
141.09097	2.7
141.12749	0.6
142.03992	0.5
144.05550	1.4
158.03494	1.0
158.07164	0.5
159.05511	0.4
159.06711	0.9
185.04561	0.8
185.08260	1.9
185.11763	15.8
185.13437	0.8
185.15363	0.7
186.03142	0.4
186.07878	0.6
186.12138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.8
57.86478	0.2
58.00466	0.2
59.01248	4.3
60.99170	0.3
65.40260	0.2
67.01761	1.1
67.07156	0.2
69.03322	0.7
70.85309	0.3
70.85620	0.3
71.01249	3.1
71.14525	0.2
72.99176	0.6
73.02820	1.3
81.03329	1.3
83.01244	0.2
83.04899	1.3
84.05254	0.2
85.02821	29.1
86.03148	0.6
87.00748	6.5
93.03335	10.0
94.03696	0.4
95.01248	0.4
99.00736	0.4
99.04388	1.3
101.02303	0.4
103.00259	0.2
108.02029	0.4
109.02831	2.6
111.00746	1.9
111.04401	3.0
113.02301	0.3
125.02367	0.2
126.52971	0.2
127.03897	5.7
129.01825	0.3
137.02319	0.5
143.03401	0.2
151.13474	0.2
153.01869	0.2
155.03394	0.6
171.02930	1.5
173.00891	0.2
173.04445	2.0
176.00992	0.3
189.03954	0.3
191.05531	100.0
192.04240	0.3
192.05881	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	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
61.20989	0.3
71.27966	0.8
71.71977	0.4
78.14668	0.3
115.43177	0.3
124.01580	0.4
136.98753	0.3
137.31981	0.3
139.00232	0.5
140.01031	0.3
151.22649	0.4
156.05612	0.5
157.05130	0.5
168.00523	0.7
183.02902	5.0
183.13814	100.0
184.14165	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	185.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15767	0.7
59.01252	1.1
70.08115	2.4
71.03320	0.7
73.02831	3.7
78.95773	82.0
84.12486	0.7
84.14887	0.7
87.52287	0.7
96.96856	3.9
97.06490	0.8
110.98410	100.0
111.05518	1.2
115.87603	0.8
131.74020	0.7
141.09100	0.9
142.08632	3.0
152.99486	6.4
157.49619	0.6
171.37369	0.7
185.02127	29.2
185.09280	1.4
185.11743	1.9
186.02379	0.8
186.07605	1.6
194.57712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0184
Annotation	ESCULETIN
Peak:m/z	Relative Intensity
58.02855	2.2
59.01239	1.8
62.51402	0.4
65.01324	0.7
65.99722	0.7
67.14948	0.5
68.99666	0.5
69.72141	1.8
71.01264	0.6
72.99208	0.4
75.00754	1.1
76.08171	0.4
77.03828	0.7
80.48223	0.4
81.03336	2.7
83.01241	0.4
84.50356	0.5
86.80076	0.4
87.00741	1.0
89.03838	9.5
91.02856	0.6
93.00840	0.4
93.03351	2.9
95.04890	1.4
98.20471	0.5
99.00735	0.5
101.02308	1.7
105.03345	15.2
106.04086	0.5
107.02408	0.5
108.01881	0.6
109.02817	0.8
115.03889	0.5
118.04029	0.4
121.02843	2.9
123.04407	0.6
129.01852	0.5
133.02844	31.4
133.06429	2.2
134.03427	2.2
135.02946	0.7
135.04417	1.0
136.07576	1.0
139.03903	1.4
149.02341	5.7
149.05945	1.1
149.09639	0.7
150.02939	0.7
161.02348	0.6
162.03125	17.1
163.03479	0.6
177.01843	100.0
177.08983	2.3
178.02228	6.0
178.04910	0.8
181.39197	0.4
185.10666	0.5
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
55.01761	0.5
55.12786	0.5
57.03321	1.7
58.00471	0.8
59.01249	24.0
65.01314	3.5
65.99708	1.4
67.01765	0.5
67.02898	0.8
70.67696	0.5
71.01252	39.8
71.58431	0.7
72.01625	0.6
72.99182	5.9
73.02824	3.4
75.00748	1.2
81.04430	0.7
83.01254	2.1
85.02810	4.4
87.00748	95.4
88.01083	1.6
91.02889	1.7
92.41103	0.4
95.02348	0.6
103.00252	0.5
103.74963	0.5
105.04455	0.9
105.46714	0.4
106.03971	2.3
107.02392	1.0
112.98715	2.8
113.02349	0.8
115.00253	100.0
116.00587	2.6
116.02425	0.6
118.04010	0.7
121.03994	0.8
127.00224	1.2
129.01892	0.6
131.03676	0.5
132.05589	1.5
133.03970	1.8
133.05095	1.3
134.03488	4.2
135.04327	1.1
145.05064	1.0
147.03053	0.5
147.06650	0.5
148.05057	3.5
149.03447	0.8
157.05057	0.6
160.01480	0.5
174.88892	0.6
175.02412	22.7
175.03786	1.3
175.06270	3.0
175.07515	0.8
175.09813	1.1
176.01128	0.7
176.03333	1.0
176.04697	0.8
176.08182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57628	1.5
55.01747	5.6
57.03323	13.3
58.00467	5.5
59.01251	43.7
62.83276	1.6
66.24799	1.4
67.01759	2.3
68.99690	8.8
69.03326	30.7
70.05435	1.5
71.01251	83.5
71.04897	1.6
71.28364	3.3
72.01574	3.0
72.99179	30.0
73.01653	1.9
73.02808	25.5
74.03159	3.7
75.00743	11.2
81.03341	2.3
82.02821	2.0
83.01253	37.5
83.04918	2.4
83.18665	1.5
84.02037	4.9
85.02819	63.2
85.71642	1.5
85.99954	2.6
87.00748	100.0
87.04387	3.4
88.01099	2.0
89.02308	4.4
93.03321	1.7
95.01248	9.9
95.04903	4.9
96.99181	6.2
97.02824	10.2
97.03790	1.6
99.00753	25.0
99.04407	4.4
100.01539	5.4
100.03886	1.5
101.02306	11.9
103.00217	9.1
104.03384	3.0
108.02024	1.9
111.00767	4.6
111.04388	6.2
111.67240	1.5
112.03945	2.2
113.02322	33.1
115.00250	58.3
115.03892	12.7
117.01814	3.3
124.01553	4.4
124.98693	12.0
125.02319	4.6
127.00262	28.2
128.03424	2.6
129.01855	10.8
131.03384	9.6
139.00305	2.2
139.03929	2.3
141.01779	1.8
142.02528	2.5
142.99785	2.0
145.01311	3.7
155.03387	1.9
157.01323	20.8
175.02441	31.9
175.03896	3.9
175.06032	51.8
175.07440	2.5
176.01085	2.5
176.03333	2.2
176.64828	1.8
184.83977	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	174.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53467	6.1
53.34644	7.5
58.02848	6.9
59.01251	33.8
60.49410	6.1
63.52927	6.3
65.01305	44.6
65.99711	18.3
66.00829	15.9
67.19962	7.3
71.01251	66.3
72.99160	11.3
73.02825	8.8
75.00759	9.4
83.01251	13.9
85.02823	15.5
87.00750	100.0
88.03928	7.7
90.00864	10.9
91.01784	11.9
91.02896	13.2
92.02404	20.6
94.03666	31.0
102.51615	7.4
105.04498	6.9
106.03976	28.2
107.02414	8.3
108.01908	8.5
112.04619	7.5
112.08360	9.9
115.00246	95.3
115.03851	7.3
117.03340	7.5
117.41151	8.2
119.02396	12.5
121.03961	9.1
127.00230	9.6
130.04008	8.5
131.03513	16.6
132.01987	12.5
132.05531	14.8
133.03951	18.8
133.05009	15.9
134.03484	16.0
141.18146	7.5
144.01932	11.4
144.04286	10.3
145.05090	9.3
146.02367	10.8
146.05960	12.5
147.01855	9.6
147.02931	8.0
147.04340	20.3
148.05023	21.6
157.05055	10.6
160.01613	9.4
160.05200	12.7
174.01640	51.4
174.02989	17.8
174.05371	15.0
174.06612	17.2
175.02423	32.6
175.03896	32.0
175.06244	37.4
175.07518	13.1
180.01894	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	173.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00193	0.9
54.37140	0.5
55.01762	5.5
56.51601	0.5
57.03325	6.8
58.02848	14.4
59.01252	16.1
60.99170	1.2
67.01755	7.4
68.99689	3.6
69.03325	2.2
70.69851	1.9
71.01253	100.0
71.48257	0.7
72.01598	2.0
72.99172	8.5
73.02816	14.5
75.00733	2.0
80.99684	1.1
81.03325	0.9
83.01265	11.3
83.04897	4.0
84.01592	0.6
84.04395	0.7
84.99190	0.6
85.02818	6.3
85.06464	19.9
85.99969	0.6
87.00748	7.6
88.03940	2.0
93.03336	23.8
94.03685	0.9
95.01266	1.6
96.99175	4.1
97.02868	0.7
98.95493	0.6
99.00759	30.3
99.04391	1.8
100.01067	0.6
100.07564	1.6
100.98714	0.8
101.02305	2.0
111.00755	12.6
111.04402	17.6
111.08050	1.7
112.04702	0.5
112.98693	40.0
113.02317	1.5
113.99030	1.9
114.05460	0.7
115.00256	5.5
123.00784	1.6
124.98695	20.2
125.07074	0.6
127.00254	1.4
127.08669	0.8
128.07066	4.3
129.01854	2.6
129.05478	8.5
129.10223	1.9
131.08162	16.6
131.09093	1.3
132.06552	1.0
137.02368	2.1
140.01035	1.0
140.98218	1.0
142.99765	50.9
144.00116	1.4
145.01335	1.2
153.74803	0.6
154.99797	2.7
155.03383	8.2
172.82970	1.0
172.99373	1.0
173.00851	9.2
173.02278	1.0
173.04466	17.1
173.08012	0.8
173.09262	13.6
173.11650	1.4
174.01648	1.2
174.07654	4.8
178.89587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98669	0.9
53.00180	2.3
55.01757	6.4
57.03317	6.1
58.02846	14.1
59.01245	18.5
60.99163	1.4
67.01765	7.4
68.99678	4.2
69.03310	2.6
71.01249	100.0
71.56825	1.4
72.01572	2.3
72.99178	9.4
73.02811	28.9
75.00743	2.3
81.03300	1.2
83.01252	16.6
83.04890	4.2
84.04431	1.0
85.02815	8.1
85.06462	10.9
87.00736	9.4
88.03894	3.2
93.03324	22.8
94.03708	1.5
94.73702	0.8
95.01244	1.4
96.99196	3.4
97.02830	1.5
99.00749	31.8
99.04353	2.6
100.01062	0.9
100.07493	1.9
100.98686	0.9
101.02282	3.3
105.25277	0.8
111.00762	21.6
111.04390	14.4
111.08039	2.0
112.04702	1.1
112.98682	53.6
113.02282	1.0
113.98981	1.6
115.00250	7.1
116.59346	0.8
123.00767	1.2
124.98692	19.6
126.04757	1.1
127.00217	1.0
128.07082	4.8
129.01836	2.3
129.05460	9.7
129.10168	1.1
130.04950	1.6
131.08147	12.4
137.02327	1.2
140.98178	2.1
142.99754	71.6
144.00069	2.7
154.99811	4.7
155.03392	8.5
172.83026	1.6
173.00812	12.0
173.03072	1.5
173.04466	19.0
173.08014	1.9
173.09274	8.9
174.03969	3.0
174.07585	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	173.0081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76304	0.8
53.00176	1.7
55.01754	5.1
57.03312	4.0
58.00441	0.9
58.02848	4.4
59.01244	8.1
60.99149	1.1
65.64015	0.8
66.89426	0.9
67.01759	9.7
68.99682	3.2
69.03309	3.7
69.95270	2.1
69.95660	2.5
71.01247	100.0
72.01588	2.2
72.99191	6.9
73.02814	12.5
75.00733	1.5
80.99673	1.4
81.03329	1.5
83.01241	10.3
83.04894	4.0
85.02811	6.7
85.06446	3.4
85.99961	3.0
87.00745	4.3
87.04388	1.1
88.03903	1.1
93.03326	30.6
95.01241	4.6
96.99187	3.6
97.02843	2.5
98.20509	1.3
99.00751	36.2
99.04377	2.1
101.02312	3.3
111.00765	11.0
111.04395	9.8
111.07998	2.5
112.98681	16.6
113.02319	10.2
113.07065	0.9
115.00258	5.2
115.03878	1.4
123.00732	3.9
124.98689	21.6
127.00291	1.1
129.01817	2.8
129.05438	3.7
131.08165	2.9
131.88312	0.9
132.41156	0.9
136.25795	0.9
137.02373	1.1
140.01056	1.7
141.01793	2.0
142.99753	45.7
144.00085	1.2
145.01320	1.0
145.04973	1.0
154.99750	1.7
155.03355	2.4
162.29448	0.9
173.00867	12.8
173.03067	1.5
173.04468	21.2
173.08041	2.8
173.09357	1.3
173.11757	2.5
174.01250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0971
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02850	1.6
65.01330	0.7
65.99721	0.3
67.01763	1.4
69.03348	0.4
69.78567	0.8
69.78986	0.7
71.01260	1.0
73.02840	0.5
82.06511	0.4
83.04919	0.6
85.02853	0.5
89.01345	0.3
93.03329	6.0
95.01300	0.3
98.20558	0.3
99.00746	0.4
106.04047	0.3
111.00761	0.7
111.04404	0.9
111.08048	0.4
112.98705	0.5
113.02300	0.3
115.00240	0.3
118.03992	0.3
119.02401	0.4
128.03519	0.3
128.10684	2.4
130.08624	100.0
131.08984	3.5
133.64613	0.2
137.02313	0.5
142.61223	0.2
142.99754	0.3
144.04425	1.1
145.05031	0.6
146.03474	1.0
155.03386	0.4
172.03796	0.5
172.05016	0.6
172.06282	0.5
172.09683	12.9
173.04509	4.3
173.08051	0.4
173.09961	0.5
173.11513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05333	0.5
59.01241	0.9
65.03828	3.1
67.01763	1.6
68.99686	1.1
69.03312	2.3
70.27120	1.9
71.01254	6.1
72.99176	1.3
78.95772	100.0
81.03331	7.7
83.01283	1.3
83.04849	0.8
84.71108	0.5
85.02827	2.0
91.01749	0.8
95.01250	0.7
96.95905	4.6
96.96832	19.2
96.99207	0.8
97.02824	0.7
99.00732	2.8
99.04378	0.8
99.05560	0.5
108.02048	2.5
109.02831	33.3
110.03188	1.5
111.00755	1.9
113.02332	0.7
113.30162	0.5
124.98708	1.6
125.02306	1.7
127.00254	1.4
127.03895	25.9
128.04221	1.4
128.07066	1.1
128.89940	1.7
142.99800	0.6
152.57085	0.5
152.98212	2.6
153.01909	1.3
154.01357	0.7
170.83223	1.1
170.99333	3.1
171.00568	9.4
171.02913	4.3
171.10178	3.0
172.06061	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	171.029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	3.9
55.01749	3.7
57.03331	1.8
59.01250	8.1
65.00184	3.0
65.03838	9.9
66.03352	1.8
67.01759	6.9
68.01283	1.9
68.99685	22.1
69.03324	9.7
69.51037	2.2
69.51444	5.1
71.01252	60.6
71.04881	2.3
72.99174	9.4
73.02818	2.3
76.57956	1.0
78.95774	86.0
79.95615	1.4
79.98905	6.5
80.99693	8.5
81.03328	21.6
83.01253	9.8
83.04893	2.5
84.00806	1.0
84.02037	1.5
85.02820	8.5
85.99950	1.6
86.02386	1.2
87.00752	7.6
89.02309	2.9
91.03892	2.3
91.43470	0.9
95.01260	10.5
96.95891	95.5
96.96802	10.1
96.99180	11.1
97.02830	4.1
97.49866	0.9
98.02347	1.7
99.00758	36.1
99.04379	4.8
100.01601	1.2
100.03962	1.4
101.02309	2.2
108.02052	8.0
109.02836	89.6
109.55495	1.0
110.00011	1.1
110.02350	6.2
110.03174	3.0
111.00750	20.9
112.00321	2.5
112.01081	1.8
112.98664	1.2
113.02332	4.7
115.00225	2.1
116.79769	1.0
124.98700	29.5
125.02328	6.6
126.01872	1.4
127.00282	12.2
127.03900	59.4
127.07468	1.1
128.01036	2.5
128.04259	1.8
128.07062	2.2
128.89969	1.0
129.01788	1.4
139.00281	7.0
142.99731	12.9
143.03421	2.1
144.04488	1.2
152.98201	24.4
153.01865	6.4
153.98564	1.6
154.99747	2.4
156.00531	4.2
170.83238	3.4
170.99496	100.0
171.02924	17.3
171.04227	2.1
171.10185	7.7
171.99875	4.8
172.02365	2.3
172.06065	1.1
182.97990	1.0
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	Amphorogynine D
Peak:m/z	Relative Intensity
50.00235	1.5
53.50034	1.0
56.10569	1.0
57.03324	56.2
58.02847	9.0
59.01251	100.0
64.01797	1.3
65.01318	22.9
65.99720	2.2
66.00837	1.4
66.03374	2.7
68.01304	1.7
69.30483	9.5
71.01253	2.3
71.04891	3.7
72.99172	1.5
78.95825	1.3
79.02950	1.2
79.75746	1.1
80.04944	4.3
81.04443	2.8
81.22247	1.3
82.03987	1.6
83.01271	1.3
83.04918	2.2
84.00768	1.5
85.02801	1.3
85.06460	1.3
89.01322	13.1
90.00854	3.4
91.02924	1.9
96.00807	1.9
98.02396	2.3
98.20579	2.9
99.00774	2.5
99.05557	1.4
102.00889	3.7
103.02895	1.2
105.04466	8.7
106.04012	3.4
106.06516	3.8
108.08077	30.5
109.02876	2.0
109.08431	2.0
110.02382	2.4
110.06004	5.0
111.00805	2.2
111.01886	1.2
111.04416	2.9
112.00302	6.9
115.02929	1.5
116.02428	9.0
124.07571	21.0
125.02321	1.9
125.09588	1.5
126.02711	1.5
126.09151	20.1
126.10001	2.3
127.03940	1.2
127.07486	6.2
127.11172	3.7
128.07076	2.9
129.04501	4.0
129.05400	1.1
130.02777	3.2
130.04008	7.0
131.01141	1.2
131.03502	1.8
136.24739	1.1
140.03456	3.7
142.03992	2.3
143.02432	1.8
143.03503	20.5
143.04524	2.7
144.01949	5.5
144.04390	2.2
144.05563	18.6
152.07077	8.5
153.09079	1.4
155.02293	1.3
170.01918	1.1
170.02147	1.2
170.04570	13.5
170.05734	2.9
170.06894	2.4
170.08177	43.0
171.01825	11.4
171.03087	3.2
171.04347	2.4
171.06676	38.8
171.08720	2.0
171.10164	38.3
171.11627	2.3
171.13916	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
58.02850	100.0
59.02522	0.4
59.03185	1.4
61.98706	0.4
63.60444	0.3
65.00206	0.4
66.03365	0.4
68.99706	0.6
69.03339	0.9
70.82504	0.6
70.82866	0.6
79.04678	0.3
81.03329	0.7
82.02863	0.5
82.95308	0.8
91.71928	0.3
96.04408	0.4
97.02842	1.4
97.06484	0.6
98.00014	0.3
108.04452	0.6
109.02407	0.4
123.00748	0.4
124.04795	0.4
124.98738	0.4
125.02334	10.0
125.05972	0.7
125.09649	0.8
125.99469	1.6
126.90250	0.9
141.01888	0.5
151.11176	0.5
153.01540	0.5
153.99025	0.7
168.03036	0.3
168.10127	0.4
168.13841	6.8
168.91309	0.4
169.01355	3.5
169.03822	0.5
169.05122	0.7
169.12219	0.8
169.14238	0.8
174.06664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20992	1.2
57.03321	11.5
59.01251	6.2
60.89188	1.0
61.98660	1.1
63.51702	1.0
69.03323	2.9
69.88081	1.0
71.01247	6.1
71.21031	2.6
72.99161	1.9
73.02817	1.5
77.03835	4.8
80.02552	3.0
81.03339	9.3
82.03958	1.3
83.04888	18.1
85.02809	1.8
85.06457	1.5
87.00746	2.8
89.02332	2.1
92.99667	2.6
93.03349	5.8
93.99223	1.2
94.02840	1.1
95.01245	1.3
95.04895	13.5
96.95873	1.3
97.06459	22.6
101.02307	2.1
105.01801	4.6
107.04921	3.3
109.02824	2.4
109.06461	4.8
111.08029	30.8
112.08342	1.3
119.04946	2.5
121.02836	100.0
121.06463	3.1
122.03204	4.6
122.06026	1.6
123.00732	2.8
123.04414	3.6
123.05608	1.0
135.04425	5.9
137.02318	8.1
137.05949	3.5
137.09625	2.1
138.02879	1.1
138.05542	1.3
140.02628	1.0
147.04419	4.7
147.11671	1.7
149.00832	1.7
150.03110	13.4
151.00250	5.0
155.16667	1.1
163.11156	7.2
164.83521	47.0
164.89479	4.0
165.01863	14.9
165.03973	2.6
165.05487	11.1
165.07672	2.1
165.09091	4.4
165.12758	57.9
165.67245	1.3
166.04945	5.3
166.13179	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	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27956	0.5
52.62315	0.5
54.59026	0.5
57.03321	33.6
58.03650	0.9
59.01249	2.8
65.00169	1.1
69.03330	2.7
70.49535	1.5
71.01260	3.0
71.04882	2.6
72.99168	0.5
73.02805	0.9
73.22777	0.5
75.00761	1.0
77.03827	2.8
80.02538	0.7
80.04931	0.7
80.78038	0.5
81.03320	2.8
82.03967	1.2
83.03590	0.6
83.04902	6.4
85.02816	1.6
87.00753	2.4
87.75273	0.6
89.02309	1.8
92.99695	1.8
93.03300	3.1
93.68469	0.6
95.01258	0.9
95.04910	1.1
97.02762	0.5
97.03905	0.8
97.06465	3.6
101.02322	0.9
103.91907	0.5
105.01807	1.8
107.00939	0.5
107.04913	2.1
108.02024	0.7
108.04442	0.7
109.02840	2.0
109.06462	4.7
111.08035	52.3
112.08364	2.9
119.04892	1.3
121.02839	55.1
122.03192	2.3
122.89288	1.1
123.00816	0.7
123.04388	1.8
123.08004	0.8
135.04417	3.6
136.05138	0.7
137.02354	3.7
137.05977	0.8
137.09534	0.9
138.05527	0.7
147.04396	2.8
147.11676	1.1
149.00873	0.7
150.03113	8.2
151.00197	2.7
155.07030	0.9
163.11224	2.8
164.83525	24.4
164.89499	2.1
165.01866	6.6
165.04071	1.1
165.05440	4.7
165.09087	2.9
165.12752	100.0
166.02409	0.8
166.05003	1.6
166.13087	8.6
169.68329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11649	1.1
57.03316	1.3
59.01250	9.1
63.26702	1.1
63.96089	2.0
65.01315	1.8
65.03843	1.1
65.99709	1.6
71.01258	8.7
71.58121	1.6
72.99173	5.5
73.02824	3.8
75.00750	13.2
77.03826	2.6
84.41454	1.0
87.00747	100.0
88.01077	2.5
88.50190	1.0
89.02334	5.8
93.03316	6.2
99.00752	8.0
101.02328	5.1
105.01811	80.0
106.02175	2.0
107.04891	1.5
108.02048	1.8
109.02823	5.9
117.01816	2.6
119.04903	1.6
121.02834	35.2
122.03555	2.2
123.00775	2.3
123.01920	1.8
123.04424	1.8
133.56493	1.1
135.02899	1.8
135.04379	3.0
137.02347	8.8
137.05989	1.3
138.02959	1.1
147.02881	7.7
147.04420	3.5
150.03093	9.2
151.00278	3.2
165.01900	9.4
165.03973	50.6
165.05437	7.7
165.07710	1.3
165.09143	4.1
166.05083	1.1
181.99603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02865	0.5
59.01271	0.6
65.00212	0.7
65.01346	1.2
65.99735	0.9
66.03372	0.4
67.02919	1.0
68.01314	0.5
69.36000	3.9
71.01289	1.1
72.99177	37.3
73.02841	0.4
73.99535	0.4
75.00775	1.6
75.84370	0.4
77.03870	0.6
81.03336	0.4
81.04481	0.8
82.04012	1.4
83.02380	0.4
83.59481	0.4
84.04437	0.4
87.00748	4.1
89.02345	0.7
91.05432	1.7
93.03362	1.6
94.02881	0.6
95.01299	0.5
95.02430	1.7
95.04925	0.6
96.04433	0.5
96.05598	0.5
97.03982	1.7
98.20000	1.6
101.03828	2.7
105.01805	3.1
106.04005	0.7
107.04919	1.0
108.02053	0.8
109.02831	2.0
109.03981	1.3
117.03356	1.0
119.04911	43.5
120.05217	2.0
121.02842	12.4
121.06567	0.7
122.03635	1.9
123.00784	1.4
123.01909	0.7
123.03048	0.8
123.04491	0.5
123.05504	0.5
124.04102	0.5
124.05004	1.9
133.02992	0.4
135.04399	1.4
137.02351	3.3
138.01906	0.5
138.02992	0.7
138.05551	0.5
139.05070	0.5
147.04411	100.0
148.03712	0.6
148.04767	7.0
150.03137	5.4
151.00253	2.2
164.89412	0.8
165.01854	3.1
165.03981	2.4
165.05460	30.1
165.09056	2.1
166.01413	0.7
166.02690	0.9
166.06088	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	165.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.3
57.03304	0.8
59.01247	8.2
71.01248	8.1
72.99170	5.6
73.02822	3.2
75.00739	32.7
76.01096	0.9
83.01227	0.6
85.02846	0.7
87.00744	100.0
88.01099	2.2
89.02311	2.3
93.03361	0.7
99.00759	11.9
101.02336	3.3
103.00269	0.6
105.01810	72.3
106.02139	2.1
117.01811	2.9
119.03368	0.7
121.02829	0.5
129.01819	2.7
135.02882	2.2
139.72314	0.5
142.15646	0.5
147.02873	7.1
165.03946	49.1
166.04279	1.7
181.46596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.2
61.46264	0.4
65.00163	0.5
65.01304	2.9
65.99720	3.2
66.32316	0.4
67.01748	0.4
67.02888	1.1
68.01299	1.1
68.99701	0.5
71.01260	1.9
71.57107	0.5
71.57508	0.5
72.00776	41.7
73.01113	0.9
73.53806	0.4
75.00753	1.4
77.03806	0.7
81.04481	0.6
82.03989	0.7
83.02370	0.6
85.02827	1.0
87.00728	3.5
89.02327	0.7
90.03419	0.5
91.05398	0.8
92.02410	0.5
92.04901	0.8
92.99680	0.6
93.03345	1.3
94.02908	0.9
95.02386	1.6
96.00793	0.7
104.45774	0.4
105.01815	2.6
106.03988	1.0
107.02396	0.9
107.04934	0.7
109.02836	0.9
109.03949	1.6
118.06496	0.8
119.02428	1.1
119.04906	1.5
120.04418	1.5
120.05314	2.1
121.02840	14.9
121.03831	0.9
122.02365	0.4
122.03516	3.7
122.05373	0.6
123.01926	1.0
134.03520	1.3
135.04388	1.6
136.03937	0.8
136.05037	0.8
137.02324	2.2
137.03459	3.1
138.03027	1.0
139.03859	0.4
144.00285	0.4
146.03481	0.9
147.04414	100.0
148.04753	7.2
149.02316	1.3
150.03081	3.3
164.03357	1.2
164.04575	3.3
164.07074	42.9
165.01825	2.1
165.03995	1.6
165.05482	2.3
165.07430	3.4
165.09102	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	164.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95088	0.9
52.11200	1.5
55.97561	1.2
59.01244	2.3
68.01277	1.1
69.98568	5.1
71.01257	4.0
72.00374	2.1
72.00776	43.4
75.00751	3.4
77.55132	1.2
85.02860	1.3
87.00755	6.8
89.02322	1.9
92.04917	3.3
93.03339	5.2
95.01225	1.4
105.01800	5.9
107.04897	2.0
108.02011	1.3
109.02829	3.0
119.04901	4.5
120.04440	5.1
120.05237	3.2
121.02833	15.7
122.03668	3.1
123.04401	1.4
125.16682	1.2
135.04430	3.3
137.02316	5.1
137.03313	1.1
137.05887	1.3
147.04408	100.0
148.04745	4.8
149.02310	3.4
150.03131	11.7
164.03363	1.7
164.07072	39.7
164.08237	1.8
165.01814	4.1
165.03963	4.7
165.05490	3.9
165.07481	2.6
165.09142	3.2
180.59525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1224
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
51.32161	0.3
55.01735	0.3
57.03327	0.8
57.63180	0.3
59.01246	6.5
64.82985	0.3
65.01308	0.5
68.99673	0.9
69.03319	1.4
69.74625	1.8
71.01250	1.3
72.59930	0.3
75.00737	2.2
83.01250	0.4
83.04884	0.4
84.99184	2.5
85.02816	1.0
85.05128	0.3
87.00738	0.5
89.01314	0.4
89.04899	0.3
95.04939	0.5
96.95879	1.6
97.02845	0.3
97.06484	0.7
99.00748	1.2
99.12940	0.3
110.31035	0.3
111.08029	0.5
112.92117	1.3
113.06003	0.6
113.09609	1.1
115.00266	0.6
116.02409	0.4
116.73013	0.4
125.02255	0.4
127.00266	2.6
128.04950	0.5
128.98204	0.5
130.04001	1.3
130.06522	0.7
139.07512	1.0
139.11171	0.6
141.98854	0.4
142.02592	0.6
148.26622	0.3
156.89284	2.0
157.01318	0.9
157.05046	2.1
157.08687	4.9
157.12236	100.0
158.03523	0.7
158.04683	0.4
158.05978	1.1
158.08052	0.5
158.12578	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	153.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28107	1.1
55.01750	1.3
58.47175	1.4
58.54881	1.4
65.00195	2.2
65.03831	1.7
66.03357	2.7
68.99674	1.4
69.03315	2.4
69.95500	7.2
71.04887	4.1
78.37466	1.3
81.03321	4.0
82.02854	4.0
82.25621	1.6
83.01260	1.8
91.01777	1.5
97.02816	2.5
97.06461	37.3
98.06847	2.0
98.20478	2.3
98.35746	1.4
99.08034	9.9
108.02004	8.7
109.02827	99.7
109.06444	2.0
109.99961	15.9
110.03182	4.3
124.03955	9.0
125.02342	6.7
125.09604	2.5
133.37244	1.8
135.04387	2.0
136.03915	4.3
137.09615	2.0
137.99477	21.8
138.99835	1.7
151.00294	2.1
153.01823	29.3
153.03029	1.9
153.05441	4.2
153.12744	100.0
154.02293	1.6
154.05013	4.8
154.13074	8.2
157.10225	1.6
157.45341	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	153.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02851	0.5
65.00185	0.7
65.03832	14.7
65.99699	0.5
66.03365	0.3
66.04163	0.6
67.01757	6.9
67.03667	0.4
68.02079	0.3
68.99687	0.3
69.03326	0.6
69.47861	0.3
69.57988	2.3
72.99179	0.6
81.03327	1.8
81.04462	0.3
82.02848	0.9
83.01248	0.5
85.02817	0.8
91.01767	4.0
95.02328	0.4
96.99143	0.3
97.02810	0.7
108.02020	1.8
109.02831	100.0
109.99973	3.8
110.03147	4.6
111.00783	0.7
111.01891	0.5
112.05014	0.4
112.78181	0.3
115.30598	0.3
116.20023	0.3
118.22779	0.3
123.00808	0.4
124.03902	1.1
124.04783	0.3
124.98731	0.3
125.02338	4.2
135.00771	26.1
136.01149	1.3
136.03951	0.5
137.99495	4.6
138.03093	0.3
139.00256	0.8
144.15559	0.3
151.00262	0.6
153.01833	60.2
154.02209	3.8
154.04994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02849	0.4
59.01252	2.5
60.01572	0.2
65.00206	0.4
65.03841	0.2
65.99719	0.4
66.03362	6.4
67.01756	0.3
67.02874	1.0
68.01286	0.4
68.99689	0.4
69.03327	0.2
70.10217	0.2
70.93224	0.5
72.04421	8.3
72.99192	0.2
73.04767	0.2
79.95615	0.6
80.04935	0.2
80.96394	2.3
80.96844	0.2
81.03333	0.9
81.04443	0.7
82.02854	0.7
82.03993	0.4
83.01252	0.3
83.02396	0.4
85.02831	0.2
87.86819	0.1
89.02336	0.2
91.01749	0.2
95.02364	0.4
96.87381	0.1
96.95888	0.3
96.99209	0.2
97.02839	0.5
97.03962	0.2
106.04044	0.4
108.02053	2.4
108.04439	0.7
108.05206	0.2
109.02847	13.7
109.03912	1.1
109.06484	0.5
109.99073	2.7
109.99994	2.6
110.02361	0.7
110.03508	0.9
110.07120	0.2
111.01903	0.5
111.02643	0.2
111.04373	0.2
111.05521	0.3
121.02813	1.1
122.03632	39.6
123.00816	0.4
123.03931	2.2
124.01567	0.3
124.03938	0.3
124.04825	0.3
124.98713	0.2
125.02354	1.2
125.03458	0.7
134.03526	0.6
134.45264	0.2
135.00764	0.3
135.04442	0.4
136.01590	0.2
137.01886	1.9
137.99493	4.3
151.00249	0.2
152.00159	4.3
152.03445	100.0
153.00719	0.1
153.01848	5.2
153.03792	5.3
153.05367	0.8
153.09138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.3
65.01319	4.0
65.99715	2.9
66.00843	0.6
66.12593	0.4
67.01729	0.5
67.02879	3.0
68.01272	0.5
68.02404	0.4
68.99689	0.5
71.01252	4.8
71.57931	0.7
73.02803	0.9
78.03362	0.7
79.02883	0.8
81.03320	0.8
81.04449	1.0
82.02856	1.1
83.01277	0.7
83.02370	1.5
89.02322	2.6
91.02885	0.7
92.02395	1.0
93.03326	1.5
94.02852	0.5
95.01256	1.1
95.02383	0.7
96.00771	0.6
100.21958	0.4
101.02316	2.7
106.03985	1.1
107.02365	0.8
107.03494	0.4
107.04908	2.1
108.02023	3.8
108.04433	1.0
108.05563	2.1
109.02821	1.0
109.03968	3.0
115.16399	0.4
117.01781	0.5
120.01911	1.9
120.05527	0.5
121.02830	2.1
122.02383	0.6
122.03638	6.3
123.00843	3.0
123.01830	2.9
123.04430	6.6
123.05416	0.8
124.01527	0.9
132.05611	0.6
133.05058	0.8
136.01555	36.8
137.02338	1.3
137.14127	0.4
139.03908	2.1
140.04198	0.5
149.02345	6.1
150.03117	100.0
151.00276	1.0
151.01416	0.5
151.03922	13.3
151.06017	2.1
151.07393	0.9
154.02617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	29.9
59.01255	26.1
63.09123	4.0
70.02830	4.6
71.01242	47.7
71.04887	28.0
71.57028	6.4
71.57389	5.0
72.99189	22.1
73.02805	11.4
75.00743	16.3
83.04882	15.6
85.02817	100.0
85.28397	3.8
86.03131	4.9
87.00732	9.9
99.00744	10.4
101.02338	28.9
101.05959	37.6
103.03883	14.2
119.04905	11.2
129.05428	4.9
147.01804	6.0
147.02797	11.2
147.04449	29.8
147.06508	80.7
148.03891	5.0
148.05037	8.0
151.33830	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	149.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.7
56.25097	1.4
59.01249	15.1
69.03326	2.7
71.01249	39.8
72.99151	2.4
73.02811	32.9
75.00752	3.2
85.02824	2.7
87.00758	16.2
89.02311	100.0
90.02652	2.4
101.02314	3.7
103.03884	4.3
105.39989	1.4
107.45031	1.6
121.02826	6.7
131.03378	9.3
139.03925	1.8
149.02406	4.0
149.04451	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00219	4.5
50.94191	3.4
58.37736	4.2
59.01242	11.5
64.01780	12.4
65.01313	61.5
65.99715	18.2
66.00823	5.6
67.02879	12.8
68.01288	4.3
71.01241	12.0
71.58819	4.8
72.99180	7.8
75.00742	8.6
79.02882	13.5
81.04464	7.5
82.02824	6.8
82.03970	6.5
85.02830	6.0
89.01334	6.1
90.00838	12.1
91.01738	4.1
91.02901	7.3
92.02412	11.7
94.02883	5.3
105.04469	33.1
106.03992	47.6
107.02406	7.4
108.03179	7.9
117.01970	6.3
118.04015	12.2
119.01193	3.8
119.02376	10.0
119.04898	25.7
120.01942	21.8
120.03205	4.0
120.05549	16.4
121.02792	4.1
121.03952	22.4
129.03340	3.7
132.02039	8.0
146.03542	7.5
147.01863	11.2
147.02988	22.6
147.04384	63.5
147.05515	16.2
147.06470	24.4
148.01515	6.7
148.03888	10.4
148.05043	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	145.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37369	2.0
55.01751	5.8
56.13012	2.5
57.47138	2.1
59.01247	33.0
62.45662	2.5
68.99664	4.6
69.85975	8.2
69.86397	6.1
71.01250	100.0
72.01567	3.4
72.99171	18.0
73.02815	12.6
74.02331	8.4
83.01251	23.8
87.00743	51.5
88.01068	2.7
89.02319	4.9
98.02399	2.7
99.00742	29.2
101.02316	3.7
102.05457	10.1
102.06157	2.4
103.74336	2.5
109.03939	2.6
115.00240	20.0
116.85961	2.3
117.01831	5.3
118.02852	8.1
125.33154	2.7
127.00235	9.6
127.05011	4.7
128.03412	3.7
145.01305	21.7
145.02977	3.0
145.03911	15.9
145.04936	3.0
146.02452	15.9
155.71567	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	145.086
Annotation	Unknow
Peak:m/z	Relative Intensity
84.36339	0.7
97.06458	2.6
98.20576	1.5
99.08028	100.0
100.08355	5.7
104.21780	0.8
110.50128	0.8
111.26236	0.8
118.04002	1.3
121.13123	0.8
145.08600	33.4
146.02458	0.9
146.08940	1.9
146.84822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00199	19.7
59.01239	9.2
68.99688	4.0
70.28673	4.2
70.98891	7.1
70.99284	8.1
71.01254	56.5
72.99182	3.8
76.95716	3.0
80.99663	4.5
82.02859	4.6
85.02824	4.5
87.00755	10.1
96.99182	28.8
99.00723	4.4
112.98680	32.1
115.00241	6.2
124.98698	80.1
138.84256	4.1
140.98175	9.2
142.99760	100.0
143.07063	10.8
143.10710	3.8
144.02907	6.2
144.04468	11.7
144.10164	3.8
148.78616	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	142.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15910	4.3
53.00201	24.2
58.02846	7.6
59.01234	10.3
60.10447	4.6
60.15990	3.7
64.79019	4.1
68.99689	10.9
70.97697	10.3
71.01247	55.1
80.99694	8.0
82.02848	8.6
85.02829	5.1
87.00755	18.8
88.58336	4.7
96.99191	24.9
100.03907	6.5
102.05468	9.7
112.98672	34.6
115.00253	6.9
124.98682	77.1
140.98201	11.2
142.99747	100.0
143.03320	6.7
144.02925	10.5
144.04350	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	142.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00191	30.4
55.05268	3.3
59.01242	12.7
63.25365	3.0
68.99687	7.9
69.25584	37.7
71.01247	69.4
72.99188	5.6
78.80874	3.0
80.99702	8.2
82.02860	4.6
83.01254	5.4
85.02843	7.7
87.00748	16.6
96.99181	44.1
99.04379	6.7
102.05488	9.9
103.95308	3.2
111.00755	12.0
112.98681	46.8
115.00261	12.4
116.02482	4.0
124.98687	90.9
140.98193	11.1
142.99756	100.0
143.00835	6.9
143.03473	5.2
144.00081	4.2
144.02911	5.2
144.04454	9.6
158.99188	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	138.0188
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01744	0.3
62.35791	0.2
65.99732	0.4
67.01743	0.7
67.02886	0.3
68.01270	0.5
69.03306	0.2
71.58478	0.3
83.01246	0.4
93.03345	0.5
94.02837	0.2
94.03677	1.1
95.01260	0.7
95.02371	0.3
96.00788	0.3
96.05523	0.4
97.03956	0.5
103.21843	0.2
105.10258	0.2
108.02050	78.0
108.16373	0.2
109.02381	4.0
109.03973	0.4
111.00758	2.5
111.01923	0.4
120.01925	0.4
123.03130	0.2
124.01569	0.2
138.01865	100.0
139.00386	1.1
139.02209	6.0
139.03902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55407	0.2
54.47694	0.2
65.01331	0.2
65.03828	1.3
65.19707	0.2
65.99715	0.3
66.03366	0.2
67.02883	0.5
68.01263	0.6
69.99440	0.7
76.83392	0.2
78.88046	0.2
78.88494	0.2
79.73965	0.2
83.01249	0.3
91.01768	0.2
93.03333	100.0
94.02984	0.3
94.03661	5.3
94.04199	0.3
95.02406	0.3
96.00821	0.2
105.65228	0.2
108.02042	1.7
109.02838	0.7
110.03478	0.2
113.64275	0.2
137.02345	15.9
138.01794	1.6
138.02737	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
62.93906	0.2
65.03834	1.2
69.96730	0.9
93.03333	100.0
94.03668	5.6
108.02051	0.2
123.13058	0.2
132.57541	0.1
135.00772	0.2
137.02341	13.4
138.02716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.8
65.01313	3.9
65.99705	4.9
69.18806	1.6
71.01252	11.9
71.56400	2.2
72.99181	16.5
73.02826	5.0
75.00742	100.0
80.96399	2.3
81.03298	1.8
85.02813	15.2
87.00739	4.0
89.02299	6.1
91.01778	1.8
91.18297	1.7
92.04914	2.3
93.03327	5.2
94.90789	1.9
106.04021	1.8
107.04899	3.9
108.02054	5.9
117.01827	1.7
123.41140	1.7
134.03615	6.5
134.89366	5.1
135.01921	2.5
135.02895	18.0
135.04437	33.7
135.96979	7.1
136.01535	3.1
136.04837	3.0
140.93306	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	135.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	0.4
59.01243	1.5
63.02273	0.9
64.01804	0.8
65.00192	8.6
65.01328	0.5
65.99706	0.4
67.01756	1.2
69.03305	0.5
70.02047	0.9
70.02439	1.2
71.01250	3.8
72.99149	0.6
73.02810	3.4
75.00739	1.6
81.03323	1.1
85.02820	9.6
87.00759	0.7
89.02299	0.8
91.01765	100.0
91.05412	0.8
92.02079	5.4
92.04935	1.6
93.03326	3.5
93.04466	0.5
99.92471	0.9
101.02312	0.9
103.03864	0.7
106.04091	1.0
107.01272	1.4
107.04912	4.9
108.02057	3.0
108.03821	0.5
108.04472	0.6
117.03362	0.7
134.03632	7.4
134.86427	23.5
134.89345	4.2
135.00795	6.8
135.04391	42.8
136.01491	0.9
136.03850	2.2
136.04796	2.5
153.01836	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	135.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15887	0.3
59.01244	1.2
63.02250	0.5
64.01801	0.8
65.00194	8.9
65.01315	0.9
65.99717	0.8
66.00845	0.4
66.03355	0.3
67.01772	1.0
67.02879	0.6
69.03305	0.6
71.01244	3.3
73.02811	2.1
75.00740	1.2
81.03321	0.7
85.02814	6.8
86.03155	0.3
87.00733	0.4
89.02318	0.5
89.03850	0.5
91.01764	100.0
91.05392	0.6
92.02077	5.1
92.04958	1.4
93.03331	2.7
93.04453	0.6
94.02851	0.9
95.01251	0.5
95.02374	0.5
96.03168	0.8
99.92451	0.5
101.02337	0.7
106.04037	2.0
107.01275	1.4
107.03527	0.3
107.04904	4.2
108.02045	2.9
108.04453	0.6
108.05138	0.3
109.03977	0.6
117.03324	0.5
117.04413	0.4
118.03933	0.4
121.61395	0.3
123.04353	0.3
134.03619	7.5
134.86426	15.2
134.89305	1.6
135.00810	5.6
135.04393	41.5
136.01599	1.5
136.03882	1.9
136.04825	3.4
153.01817	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0462
Annotation	Adenine
Peak:m/z	Relative Intensity
59.01235	0.6
65.01315	1.0
65.99688	0.3
68.02399	0.6
70.96750	0.7
71.01244	1.0
72.01593	0.4
72.99180	0.4
73.02810	0.7
75.00743	1.4
80.02381	0.5
85.02823	2.0
87.00755	0.6
89.02298	0.2
90.02627	0.3
92.02416	9.6
93.03330	0.4
94.65244	0.2
101.02299	0.4
107.03511	35.8
107.04920	1.1
108.03819	1.0
134.04613	100.0
135.02899	0.8
135.04332	4.1
135.05031	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	133.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.6
59.01244	2.8
70.25732	0.5
70.52992	0.6
71.01254	100.0
71.56618	0.9
72.01568	2.9
72.99189	11.5
75.00745	1.3
85.02822	1.3
87.00751	33.2
87.04387	7.6
88.01093	1.2
89.02322	13.2
92.02412	1.0
107.03526	2.4
115.00254	27.5
116.00599	1.6
133.01321	6.7
133.04962	37.4
134.04520	7.2
134.05490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	5.2
64.01788	10.7
65.01315	77.0
65.99725	21.4
67.02885	5.8
69.89003	25.9
71.01247	50.6
72.99174	42.6
75.00751	20.1
83.47251	4.3
87.00759	10.7
87.04417	9.6
91.02911	42.3
92.01311	17.3
92.02419	36.8
104.28573	4.9
106.02874	7.5
106.04002	47.7
107.02412	32.9
107.03506	35.2
115.00278	27.4
132.01967	8.1
133.01414	10.0
133.02843	22.8
133.03967	46.4
133.05026	52.8
134.02446	9.2
134.03499	96.3
134.04619	100.0
134.05533	9.0
150.94955	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	130.0862
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
57.03317	1.9
60.37918	0.8
65.01299	1.0
69.03308	0.9
69.81759	5.5
71.01241	1.4
73.02800	2.7
75.00745	1.4
85.02822	7.4
85.06438	1.5
87.04393	2.6
88.03907	2.5
130.04045	6.0
130.08623	100.0
131.03447	6.0
131.08948	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00212	1.7
53.61782	0.6
54.08403	0.7
55.44091	0.7
57.03312	1.7
59.01232	1.4
63.10593	0.7
64.00517	1.2
64.01775	1.6
65.01315	17.4
65.99719	2.0
66.01637	2.3
67.02882	7.7
68.99667	1.4
69.03299	1.0
69.90601	4.1
71.01242	2.0
72.99162	0.9
73.02808	3.4
75.00757	1.0
76.37138	0.8
77.01318	3.2
81.04455	1.7
83.04874	1.1
85.02820	10.3
85.06457	100.0
86.02366	1.0
86.06786	4.3
87.04382	3.2
88.03892	1.7
89.01331	17.0
90.00846	2.4
90.01628	1.4
90.03394	0.8
91.02890	10.3
101.02341	1.0
104.02445	3.6
105.04472	5.3
129.05487	1.6
130.02725	2.6
131.03514	55.8
131.04352	5.5
131.07021	42.2
132.01894	2.9
132.02933	1.4
132.03873	2.2
132.05551	15.2
132.07368	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	129.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	12.9
56.43543	1.7
57.03048	2.0
57.03323	39.4
58.02842	21.0
59.01238	4.4
62.50945	1.7
65.01316	2.9
67.01756	100.0
68.02068	2.4
68.99683	31.3
69.63724	13.8
71.01248	13.0
72.99174	11.6
73.02824	8.6
76.49699	1.6
83.01243	6.6
83.04902	2.1
83.43429	1.9
85.02820	29.9
85.06455	3.2
87.00726	11.0
88.03906	37.9
96.99184	2.9
98.19659	1.4
99.00735	7.9
101.02332	5.6
104.24740	2.0
111.00748	5.0
111.04399	2.0
113.99515	3.1
128.94037	2.6
128.99155	2.3
129.01839	28.7
129.02840	2.8
129.03162	3.0
129.05452	4.7
130.04007	33.6
130.04951	4.2
130.08589	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	1197.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01254	0.2
85.02826	1.5
87.00746	1.4
90.84492	0.1
94.97961	9.5
95.01237	0.2
96.95884	0.6
97.02823	0.8
98.19791	0.2
99.00768	0.3
101.02319	1.4
103.68433	0.1
106.97973	2.1
109.02744	0.1
113.02329	0.3
122.97469	2.1
125.02336	2.0
127.03908	0.5
134.97479	3.2
136.99046	1.2
138.96938	0.1
143.03392	0.1
146.97479	0.2
148.99048	4.3
150.96989	0.1
152.98540	3.6
158.02591	0.1
164.98544	8.3
167.00090	0.3
179.00131	0.2
179.06099	0.1
188.98573	0.3
206.99622	2.0
225.00700	13.1
226.00963	0.3
229.32036	0.1
255.23260	2.0
299.04407	2.9
555.28418	100.0
556.28748	5.6
606.26190	0.1
695.52350	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	1197.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	2.1
85.02821	6.3
87.00742	1.6
89.02312	6.0
91.96896	0.2
93.03323	0.3
95.01261	1.7
97.02827	0.8
99.00767	1.0
99.04346	0.2
101.02319	13.8
102.02706	0.2
105.03329	0.3
107.01286	0.8
109.06528	0.1
111.00744	0.3
113.02328	9.2
115.03883	0.2
117.03337	2.2
119.03379	4.0
119.04811	0.2
121.02831	0.3
123.08030	0.3
125.02341	0.6
129.01828	0.2
131.03365	0.6
135.04424	0.4
137.02376	0.2
137.09634	1.3
143.03412	1.3
146.49290	0.2
149.02347	1.0
149.04456	0.5
151.00266	0.6
151.07550	0.6
151.11134	0.4
152.08350	1.2
153.09177	0.3
153.12761	0.6
159.02940	0.5
159.04440	1.0
161.02408	0.7
161.04454	1.8
163.11136	0.3
165.09113	0.2
169.06535	0.4
169.52673	0.2
171.04472	0.2
179.05518	0.6
179.14310	0.3
180.05762	0.2
181.06517	0.5
181.12257	0.5
183.04425	0.6
189.12791	0.3
191.05499	0.2
195.13821	1.2
196.05209	0.4
197.06041	0.7
197.15376	1.8
199.03912	0.3
201.05504	0.5
203.03389	0.2
205.12234	0.4
207.13847	2.7
213.05377	0.2
223.13345	0.4
224.13652	0.2
225.05492	0.9
225.14900	12.8
226.15285	0.5
227.03438	0.5
239.03545	0.2
240.04347	0.4
268.03757	4.7
268.06653	0.2
269.04532	80.0
270.04868	4.6
271.05148	0.4
293.04456	0.2
311.05447	0.2
317.74274	0.1
361.99878	0.2
369.19147	40.8
370.19379	1.3
387.20224	45.2
388.20526	2.0
429.21252	100.0
430.21625	5.2
458.54379	0.2
473.11008	0.5
571.39789	0.2
577.15558	0.3
578.81744	0.1
665.89203	0.2
681.55328	0.2
723.21405	48.1
724.21777	4.6
725.22089	0.7
941.17908	0.2
946.96802	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01258	0.2
98.96493	0.0
99.42146	0.1
105.03337	0.2
107.01265	1.0
108.02113	0.0
109.02824	0.5
121.02830	0.4
121.04568	0.0
125.02319	0.1
131.94748	0.0
132.02090	0.1
133.02837	3.0
134.03682	0.2
135.00697	0.0
135.04425	0.1
143.04889	0.1
145.02950	0.0
147.00772	0.0
147.04436	0.1
148.01572	0.1
149.02332	1.0
149.99467	0.1
151.00261	2.6
151.03903	0.1
152.00560	0.1
155.04884	0.1
157.02859	0.1
157.06520	0.0
159.04385	0.1
163.00333	0.0
163.03922	0.0
167.04977	0.0
169.01317	0.1
169.06514	0.1
171.04416	0.2
172.05203	0.1
173.02255	0.1
173.05948	0.1
174.03099	0.1
175.03923	1.4
176.01042	0.1
176.04262	0.1
177.01805	0.2
183.04398	0.1
184.05208	0.0
185.06021	0.4
187.03903	0.2
188.04744	0.1
189.01759	0.1
189.05537	0.2
195.04408	0.1
196.05214	0.1
196.47090	0.0
197.06003	0.3
198.03104	0.3
199.03928	1.5
200.04585	0.1
201.01869	0.5
211.03932	0.4
212.04665	0.1
213.05508	0.4
214.02647	0.1
215.03458	0.3
217.04984	0.9
218.05412	0.0
223.03955	0.1
224.04707	0.0
226.02682	0.1
227.03461	0.4
228.04054	0.1
229.05005	0.2
239.03403	0.3
240.04218	0.1
241.05003	0.6
242.02185	0.1
243.02940	0.5
255.02994	0.4
256.03726	0.9
257.04492	0.4
267.02942	0.3
268.03714	0.1
269.04462	0.1
283.02509	0.2
283.29242	0.0
284.03256	11.4
285.04007	100.0
286.04349	4.3
297.04037	0.2
299.05594	0.1
327.05029	0.7
357.05725	0.0
447.09421	0.2
448.09586	0.0
592.14972	0.2
593.15033	81.7
594.15369	7.0
595.15753	0.1
826.33832	0.0
921.64099	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1185.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01266	0.5
85.02807	0.2
93.03329	0.4
98.19810	0.9
107.01260	1.1
108.02052	0.3
109.02834	0.3
116.61540	0.3
117.03352	1.6
118.19627	0.2
121.02847	0.4
123.00737	0.3
124.19877	0.2
125.02322	0.5
133.02831	0.4
134.03552	0.4
148.01471	0.3
149.02397	1.0
151.00262	1.9
152.01024	0.3
153.01735	0.3
159.04393	0.7
161.02324	0.8
169.01349	0.5
169.06496	0.2
171.04375	0.4
172.05260	0.3
175.00273	0.2
181.06467	0.3
183.04393	0.6
197.06012	0.6
199.03957	0.5
200.04756	0.3
201.05478	0.6
211.03897	0.7
225.05513	0.6
227.03448	0.8
239.03534	1.0
240.04236	0.9
255.00200	0.3
255.02948	6.8
256.03687	1.9
257.04294	0.3
268.03751	14.5
269.04529	65.6
270.04883	4.6
283.02460	1.9
284.03244	57.1
285.03873	7.8
286.04355	1.0
297.04022	1.3
298.04501	0.4
299.05588	100.0
300.02841	0.3
300.05881	4.9
301.03479	0.9
311.05750	0.5
313.03375	0.3
327.04901	0.2
333.17883	0.2
413.08752	0.5
431.10114	0.4
438.93085	0.2
441.70712	0.2
447.09586	0.3
489.10229	4.3
490.10599	1.5
491.11545	0.6
505.09790	0.4
577.15607	43.9
578.15924	4.4
579.16052	0.3
593.15448	0.4
607.16675	21.9
608.17017	2.2
788.00153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45294	0.3
54.45559	0.4
55.01753	0.8
59.01247	1.1
70.98206	0.5
70.98522	0.6
71.01262	0.6
73.02818	100.0
74.03149	3.4
75.55176	0.4
93.47146	0.4
99.00752	9.7
99.92520	0.6
116.92717	2.3
117.01823	12.3
117.07401	0.9
118.02901	0.5
124.68986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1173.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01234	0.3
97.02834	0.1
98.20520	0.1
103.30812	0.1
105.03339	0.2
107.01273	1.1
109.02811	0.6
121.02845	0.3
122.00454	0.1
132.02075	0.1
133.02840	2.8
134.03616	0.2
135.04404	0.2
137.02328	0.1
139.99469	0.1
143.04991	0.1
147.00740	0.1
147.04390	0.1
148.01530	0.1
149.02342	1.2
149.99466	0.1
151.00276	2.5
151.01503	0.1
151.03841	0.1
152.00670	0.1
157.02863	0.1
159.04372	0.1
167.03481	0.1
167.04886	0.1
169.01321	0.2
171.04456	0.3
173.06061	0.1
174.03268	0.1
175.03914	1.4
177.01851	0.2
183.04439	0.2
185.00838	0.2
185.06026	0.3
187.03894	0.1
189.05464	0.1
195.04353	0.1
197.06004	0.2
198.03149	0.2
199.03929	1.5
200.04510	0.1
201.01839	0.4
211.03958	0.3
212.04678	0.2
213.05466	0.3
214.02591	0.1
215.03453	0.3
217.04979	0.8
223.04039	0.1
224.04689	0.1
226.02844	0.1
227.03439	0.5
228.04205	0.1
229.05054	0.2
239.03456	0.2
240.04254	0.2
241.05049	0.7
242.02211	0.1
243.02946	0.5
255.02989	0.5
256.03726	0.9
257.04578	0.4
267.02875	0.3
269.04440	0.3
283.02579	0.2
284.03262	12.1
285.04025	100.0
286.04376	5.2
287.04562	0.3
297.03879	0.3
299.05734	0.1
300.02893	0.1
301.03500	0.1
327.05038	0.6
342.61456	0.1
447.09134	0.3
534.69604	0.1
577.15198	0.1
578.13849	0.1
579.13519	30.0
580.13855	2.0
592.14282	0.1
593.15063	41.9
594.15448	3.8
595.15411	0.5
607.82361	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	117.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01731	0.6
59.01242	2.2
61.24664	0.6
65.76839	0.6
69.90945	2.0
71.01250	2.0
71.04874	1.7
73.02814	100.0
74.02348	0.8
74.03144	3.4
75.00726	0.9
87.00738	1.0
90.00843	3.2
91.02878	1.4
99.00750	8.4
99.92452	3.8
103.26413	0.5
107.08076	0.5
116.92734	9.1
117.01837	14.7
117.05426	1.0
117.07419	1.1
117.92735	1.1
118.02917	3.2
118.03989	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	1169.6232
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03329	0.4
83.01274	0.1
85.02817	1.3
87.00758	0.2
89.03851	0.3
92.58965	0.1
93.03322	0.3
95.01263	1.1
97.02827	0.7
98.20547	0.2
99.00761	0.2
101.02362	0.1
107.01291	0.1
107.04922	0.2
108.02048	29.5
109.02844	7.9
113.02332	0.5
117.03323	0.8
119.04934	0.2
121.02833	0.4
123.00771	1.0
124.01540	0.1
125.02335	1.5
132.02065	3.1
133.02850	2.3
134.03625	10.9
135.00780	0.1
135.04440	1.3
136.01581	0.1
137.02316	0.4
139.03987	0.1
141.04041	0.1
145.02823	0.2
147.04457	0.2
149.02339	0.2
149.05975	0.9
151.00261	0.8
151.03851	0.2
152.01051	43.3
153.01834	15.8
154.02182	0.3
159.04451	0.1
160.01563	12.2
161.02345	7.6
162.02805	0.2
163.03885	0.7
165.01862	0.3
166.02631	0.2
167.03401	0.4
174.03207	0.1
175.03915	11.8
176.04308	0.4
177.01881	0.5
178.02698	0.2
179.03412	1.4
181.04967	0.3
189.05481	0.2
191.05511	0.2
193.04982	7.1
194.05357	0.3
202.02635	0.2
203.03476	0.2
205.04958	0.2
217.04997	0.2
219.02928	0.1
227.03433	0.1
228.04176	0.3
241.04735	0.1
242.05850	0.1
243.06519	0.3
255.02925	0.1
267.07248	0.2
268.03732	0.5
269.04492	2.0
269.43881	0.1
270.04822	0.3
271.02463	0.1
284.03415	0.2
285.04050	0.2
297.06128	2.4
300.02725	0.1
301.03525	0.2
315.07281	1.8
322.06982	0.4
323.07709	2.3
337.09091	0.6
417.15366	0.4
459.09384	0.2
477.19666	0.2
491.11908	100.0
492.12231	6.5
503.24997	0.2
505.22955	0.1
559.14465	0.2
577.15186	0.1
619.16577	0.9
620.16992	0.4
639.25348	0.3
677.50079	0.2
1169.37109	0.4
1170.37231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01246	0.6
85.02814	0.4
87.00771	0.2
92.81938	0.1
93.03339	0.2
95.57915	0.1
96.95878	0.2
107.01254	1.3
108.02033	0.2
109.02823	0.6
113.02320	0.3
117.03345	0.2
121.02795	0.4
125.02299	0.3
132.02071	0.2
133.02823	2.9
134.03638	0.7
135.04393	0.2
141.04089	0.2
145.02806	0.2
148.01564	0.3
149.02304	0.9
149.99500	0.4
151.00266	3.2
151.03893	0.1
153.01768	0.2
153.09045	0.2
161.02347	0.2
169.01378	0.4
171.04399	0.3
175.03922	1.3
177.01817	0.3
183.04393	0.4
183.10263	0.2
185.05962	0.2
187.03911	0.2
189.05479	0.2
191.05476	0.2
192.81686	0.1
197.05994	0.2
199.03882	1.4
200.04570	0.3
201.01826	0.5
210.59709	0.1
211.03911	0.6
212.04533	0.3
213.05574	0.2
215.03586	0.3
217.04921	0.9
227.03502	1.0
228.04123	0.2
229.05037	0.2
239.03354	0.5
240.04102	0.2
241.05006	0.6
242.02090	0.2
243.02939	0.5
255.02968	3.1
256.03699	3.1
257.04382	0.4
267.02966	0.3
268.03726	0.4
269.01566	0.3
269.04532	5.3
270.04773	0.5
271.02444	0.3
283.02420	1.8
284.03244	47.1
285.04007	98.2
286.04401	4.4
297.04037	0.4
299.05551	0.3
300.02670	0.6
301.03519	0.3
327.04974	1.3
446.08624	1.6
447.09274	100.0
448.09619	6.1
505.09595	0.7
593.15472	0.1
709.19684	2.5
710.20306	0.6
711.20050	0.2
1157.37183	0.3
1178.46887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
79.22867	0.1
83.01276	0.2
85.02832	0.1
87.00752	0.1
89.00236	0.1
91.01787	0.1
93.03320	0.3
99.00763	0.0
103.13176	0.0
104.94902	0.0
105.03323	0.2
107.01268	1.1
108.02074	0.1
117.03343	2.5
119.04942	0.1
121.02836	0.2
123.00758	0.1
123.04411	0.1
125.02306	0.0
133.02881	0.1
134.03590	0.1
135.04398	0.3
137.02312	0.1
147.00809	0.1
148.01498	0.1
149.02348	0.8
151.00272	0.7
152.01027	0.2
153.01846	0.1
155.03618	0.0
155.04892	0.1
157.06424	0.1
159.04424	1.2
160.04816	0.1
161.02357	0.8
164.04610	0.1
166.04869	0.0
169.01283	0.1
169.06491	0.4
171.04491	0.2
172.05110	0.1
173.04408	0.1
173.05963	0.1
175.00204	0.1
175.03903	0.1
180.05724	0.2
181.06509	0.4
182.03648	0.1
183.04443	0.6
184.05196	0.1
191.05521	0.1
191.07185	0.1
195.04395	0.1
196.05168	0.4
197.06035	0.6
199.03969	0.3
200.04552	0.1
201.05493	0.6
203.03500	0.1
211.03986	0.2
212.04724	0.1
213.05406	0.1
223.04059	0.1
224.04643	0.3
225.05510	1.1
226.05801	0.1
227.03450	0.5
239.03418	0.4
240.04297	0.4
241.05016	0.2
253.05234	0.1
255.03088	0.1
267.02994	0.2
268.03772	5.4
269.04532	100.0
270.04874	5.4
270.07996	0.1
271.02454	0.1
271.05008	0.1
281.04752	0.1
283.02454	0.1
284.03223	0.4
285.04019	0.6
286.04337	0.1
301.03546	0.1
311.05576	0.3
318.53485	0.1
331.07153	0.1
413.08832	0.1
429.08298	0.1
431.10025	0.1
489.10394	0.5
490.10446	0.1
505.09644	0.1
521.12939	0.2
563.14044	10.7
564.14374	1.1
577.15582	18.4
578.15936	1.9
593.14874	0.1
1009.67944	0.1
1141.37805	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	114.0549
Annotation	L-Proline
Peak:m/z	Relative Intensity
54.27991	0.3
57.03309	0.4
58.00443	0.4
59.01246	7.2
66.03357	2.4
69.03326	0.6
69.90459	1.8
70.02843	0.3
71.01250	18.2
71.04877	2.1
72.00776	1.3
72.99181	1.0
73.03939	3.5
74.40112	0.3
75.21265	0.3
86.02348	2.0
86.03156	0.9
86.05984	2.6
87.00748	5.9
97.02833	0.5
112.03242	0.3
112.03900	1.6
114.01857	1.3
114.05486	100.0
115.00256	3.5
115.02917	0.7
115.03884	1.5
115.05828	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	1141.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
79.69761	0.1
83.01266	0.6
98.19771	0.3
105.03327	0.1
107.01266	1.7
109.02838	0.3
121.02808	0.3
132.02098	0.2
133.02841	2.7
134.03667	0.6
135.04306	0.1
148.01566	0.3
149.02342	1.0
149.99492	0.2
151.00264	3.0
169.01321	0.3
171.04434	0.3
173.05986	0.2
175.03908	1.2
177.01822	0.3
183.04449	0.3
185.06056	0.3
187.03862	0.2
189.05484	0.1
195.04370	0.2
197.06015	0.2
198.03133	0.3
199.03925	1.4
200.04669	0.5
201.01891	0.4
201.51990	0.1
211.03899	0.7
212.04688	0.3
213.05515	0.3
214.02676	0.2
215.03418	0.3
216.04279	0.1
217.04962	0.8
223.03999	0.2
226.02686	0.1
227.03438	1.3
228.04182	0.2
229.05014	0.2
239.03424	0.3
240.04094	0.2
241.04991	0.4
242.90581	0.1
243.03004	0.4
255.02982	1.2
256.03708	3.2
257.04346	0.3
267.02664	0.1
268.03748	0.3
269.04465	0.7
283.02454	0.9
284.03244	52.2
285.04001	86.7
286.04367	4.0
297.03928	0.6
298.04678	0.1
299.05673	0.3
327.05051	1.5
357.05902	0.1
429.08151	0.4
436.89835	0.1
447.09232	1.6
488.09406	0.2
489.10330	100.0
490.10681	7.8
533.09546	0.2
540.94147	0.1
542.58600	0.1
563.13708	0.2
577.15015	0.1
1113.07312	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	1131.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
78.72980	0.1
81.03304	0.5
83.01254	0.8
85.02808	0.4
87.00771	0.2
89.02285	0.3
93.03331	0.4
95.01254	4.1
97.02819	2.1
98.20656	0.3
107.01262	0.7
108.02076	0.4
109.02835	0.5
115.12927	0.2
121.02842	1.6
123.00765	28.7
124.01558	15.1
125.02330	36.6
126.02679	0.7
135.04387	0.2
137.02356	0.9
139.03850	0.2
147.04385	0.5
149.02341	6.2
149.99487	19.6
151.00285	2.3
151.03856	0.4
161.02307	0.4
163.03938	0.5
164.04681	2.8
164.83942	0.2
165.01820	0.3
166.99770	0.8
167.03400	7.4
168.00546	51.2
169.01328	5.1
179.03397	0.2
179.07025	0.2
190.02634	0.6
191.03410	1.4
195.02901	1.0
205.04973	0.4
206.10196	0.2
211.02441	0.5
223.06070	1.5
269.06644	1.9
284.03516	0.2
285.03998	2.7
286.04361	0.5
287.07669	0.2
313.05640	12.7
314.05884	0.5
331.06680	100.0
332.07007	4.3
347.27814	0.2
398.22433	0.2
398.45386	0.2
522.10352	0.2
536.11523	0.2
537.12469	77.6
538.12775	5.7
569.50458	0.2
570.44360	0.2
593.15320	1.4
594.15253	0.3
595.15448	0.3
745.69196	0.2
747.35956	0.2
1149.70374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	0.6
85.02814	0.2
93.03342	0.2
95.01301	0.2
98.20621	0.4
101.02350	0.1
107.01285	1.9
108.02040	0.4
109.02823	0.5
113.02320	0.2
121.02853	0.5
123.00776	0.2
125.02314	0.4
129.55447	0.2
132.02036	0.3
133.02840	3.0
134.03668	0.8
135.04405	0.3
136.98692	0.4
137.02316	0.2
143.04953	0.2
143.06012	0.2
147.04442	0.2
148.01549	0.4
149.02345	1.4
149.99483	0.3
150.99121	0.3
151.00276	4.7
151.82684	0.2
152.00972	0.3
153.01822	0.2
159.04459	0.2
161.02402	0.3
161.04523	0.1
163.03983	0.2
164.77086	0.2
165.01790	0.3
169.01305	0.3
171.04384	0.4
173.06078	0.2
174.03104	0.3
175.00240	0.3
175.03896	1.6
177.01855	0.4
183.04436	0.4
185.02553	0.2
185.06013	0.5
187.03896	0.5
189.05321	0.2
194.00804	0.3
195.04404	0.2
197.05980	0.2
198.03064	0.2
199.03966	1.4
200.04744	0.5
201.01834	0.5
201.05470	0.2
211.03947	1.0
212.04716	0.3
213.05528	0.5
214.02658	0.4
215.03432	0.5
216.04147	0.2
217.05017	0.8
223.04047	0.2
227.03452	1.7
228.04201	0.3
229.04926	0.3
230.37773	0.2
239.03453	0.6
241.04941	0.6
243.02919	0.7
255.02974	1.9
256.03720	4.1
257.04453	1.0
267.02945	0.4
268.03745	0.2
269.04495	1.3
271.02362	0.5
272.03162	0.3
283.02518	1.5
284.03250	54.7
285.04007	86.8
286.04358	5.1
287.04666	0.4
297.03781	0.7
299.02094	0.3
299.05539	0.6
300.02670	4.5
300.06052	0.3
301.03494	9.9
302.03912	0.6
327.05118	1.4
328.04630	0.2
348.80426	0.2
429.08279	0.5
447.09167	1.6
461.10812	0.3
463.08893	0.2
487.09335	0.3
488.09274	0.2
489.10349	100.0
490.03433	0.3
490.10696	8.5
491.11188	0.9
505.09863	11.4
506.10025	0.9
532.10370	0.2
550.11688	0.3
554.93774	0.2
577.16357	0.2
593.15155	0.7
635.16162	2.1
636.16528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	52.2
96.96825	4.4
100.42502	0.5
101.33528	0.5
150.97948	0.7
152.99483	55.5
153.99808	0.5
171.00549	13.9
219.42384	0.5
227.03212	2.9
245.04269	60.9
246.04582	0.6
253.21684	30.2
254.21989	1.2
278.85364	0.5
481.25677	100.0
482.26181	4.8
795.22614	1.0
1123.48938	14.8
1124.48669	3.4
1148.08936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
81.17960	0.1
83.01255	0.3
85.02814	0.2
87.00775	0.1
89.00204	0.1
91.01766	3.5
93.03330	7.0
94.03701	0.1
95.01292	0.3
101.02313	0.1
103.88474	0.1
105.03349	0.3
107.01259	1.4
107.04898	0.4
108.02071	0.2
109.02868	0.1
109.28075	0.1
113.02318	0.2
117.03339	2.9
118.03709	0.1
119.01262	1.2
119.04896	0.1
121.02840	3.4
122.03197	0.1
123.04375	0.1
133.02882	0.2
135.04445	0.3
136.01511	0.2
137.02335	9.3
138.02679	0.3
141.03383	0.1
143.03400	0.1
148.01585	0.1
148.70146	0.1
149.02344	0.9
151.00351	0.9
151.03905	23.3
152.04240	0.5
157.06453	0.2
159.04424	1.2
161.02341	1.1
163.03932	0.2
169.06502	0.5
171.04533	0.2
173.04376	0.1
175.03835	0.1
179.03392	0.2
180.05759	0.2
181.06477	0.5
182.03613	0.1
183.04486	0.6
191.03462	0.2
191.05449	0.1
195.04433	0.1
196.05226	0.3
197.06013	0.6
199.03860	0.2
201.05553	0.6
203.03400	0.2
204.53276	0.1
205.05034	0.1
211.03918	0.1
213.05589	0.1
224.04721	0.3
225.05515	1.4
227.03482	0.6
233.04778	0.1
239.03464	0.2
240.04295	0.3
241.05008	0.1
263.05518	0.4
267.07596	0.1
268.01535	0.1
268.03757	6.4
269.04526	100.0
270.04874	5.2
281.03598	0.2
281.06665	3.6
282.07077	0.2
283.06186	0.2
284.03122	0.1
285.04147	0.1
291.06613	0.1
293.04620	0.2
311.05563	0.2
323.07727	3.0
324.08081	0.2
335.05661	0.1
361.18469	0.1
559.14526	0.2
577.15424	0.3
656.90448	0.1
723.21344	70.7
724.21667	7.0
732.26263	0.1
765.22375	0.1
1073.18335	0.1
1074.40125	0.1
1090.30383	0.1
1122.42651	0.1
1123.34656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1119.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
78.53431	0.1
83.01254	0.4
85.02831	0.3
89.02314	0.3
91.01799	0.1
93.03337	0.3
96.95896	0.2
101.02319	0.9
107.01266	1.1
108.02060	0.1
109.02837	0.3
113.02355	0.5
113.03039	0.1
117.03338	2.4
117.04180	0.2
119.03320	0.1
119.04917	0.2
121.02812	0.2
123.00764	0.1
124.01604	0.1
125.02264	0.1
131.03503	0.1
134.03636	0.2
135.00783	0.5
135.04434	0.2
137.02335	0.3
137.09637	0.1
143.03406	0.1
148.01602	0.2
149.02339	0.8
149.04398	0.2
149.99489	0.2
150.03096	0.2
151.00238	1.0
152.01007	0.1
153.01846	0.7
157.06432	0.1
159.04414	0.9
161.02402	0.5
161.04427	0.4
161.05681	0.1
163.03912	0.2
169.01360	0.2
169.06483	0.3
171.04440	0.3
175.00241	0.1
180.05717	0.2
181.06500	0.5
183.04446	0.6
184.04996	0.1
193.05003	0.2
195.04430	0.2
196.05215	0.3
197.06015	0.5
199.03964	0.2
200.04802	0.1
201.05463	0.5
203.03450	0.1
211.03899	0.5
212.04663	0.2
224.04794	0.2
225.05508	1.2
227.03403	0.5
239.03470	1.0
240.04234	0.8
241.04965	0.1
243.06563	0.2
267.02899	0.5
268.03751	16.3
269.04526	100.0
270.04858	5.5
290.61017	0.1
293.04633	0.1
311.05518	0.3
319.12912	0.1
405.11740	0.2
413.08850	0.2
455.09833	0.8
473.10730	0.4
559.14819	0.3
577.15515	2.4
578.15839	0.2
619.16632	79.0
620.16980	8.8
620.84747	0.1
631.24640	0.2
663.26593	0.5
1119.38977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
79.25021	0.2
83.01266	0.6
83.98085	0.2
85.02831	0.3
85.20435	0.2
85.69644	0.2
94.59991	0.2
107.01284	1.7
108.02080	0.3
121.02840	0.3
122.20408	0.2
123.04415	0.2
125.02320	0.5
132.02104	0.2
133.02856	2.7
134.03618	0.9
135.04431	1.5
136.04765	0.5
137.02330	0.3
147.04492	0.3
149.02382	1.0
149.99474	0.3
151.00275	4.4
152.00659	0.4
153.01816	0.3
159.04321	0.2
167.03386	0.4
169.01340	0.4
175.03906	1.0
187.03905	0.2
191.05357	0.2
197.05946	0.3
199.03972	1.6
200.04555	0.3
201.01828	0.3
211.03935	0.8
215.03435	0.3
217.04959	0.7
217.55843	0.3
227.03433	1.3
228.04005	0.5
239.03419	0.3
240.04172	0.2
241.05003	0.3
243.02844	0.4
255.02948	1.1
256.03757	2.9
257.04276	0.4
268.03909	1.0
269.04520	3.9
270.04919	0.7
273.07611	0.5
283.02466	0.6
284.03259	44.5
285.04022	65.4
286.04352	6.1
287.05331	2.2
288.05884	1.4
289.06015	0.3
297.03949	0.3
327.05042	0.9
364.82401	0.3
447.09122	1.3
489.10379	100.0
490.10718	8.9
491.11057	4.1
492.11328	2.3
493.11359	1.1
533.09448	0.2
577.15601	2.5
578.15930	0.9
581.18365	0.4
656.96796	0.2
733.50397	0.2
793.98743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03310	0.5
85.02818	1.8
93.03323	0.8
95.01259	1.4
97.02817	0.6
105.32786	0.4
107.01239	1.0
107.04864	0.5
108.02053	28.7
108.56561	0.5
109.02854	9.1
113.02286	0.6
119.01282	0.9
119.04926	0.5
121.02862	2.1
123.00754	1.1
123.04348	0.5
125.02314	2.9
125.34039	0.4
133.02818	1.7
134.03616	1.2
135.04396	1.3
137.02307	0.5
141.04099	0.4
147.04422	0.6
149.02351	9.2
150.03056	1.2
151.00278	2.3
152.01054	43.0
153.01843	15.4
161.02321	0.7
163.03922	0.9
164.03448	0.5
164.04704	6.4
165.01857	0.6
165.05383	1.0
166.02431	0.5
167.03410	0.9
168.00558	0.6
175.00325	4.2
175.03897	0.8
176.01048	3.2
177.01764	1.2
179.03319	0.4
179.07037	1.3
190.02649	10.0
191.03439	6.3
191.05475	0.8
199.03932	0.5
205.04994	8.5
209.04523	1.1
217.05090	0.6
223.06087	4.5
241.04947	0.6
255.02875	0.6
256.03687	1.0
267.07303	0.6
269.04532	0.8
271.08972	0.5
284.03250	11.9
285.04010	22.6
286.04224	3.1
287.04602	0.9
297.06107	2.9
299.05600	1.5
301.03455	1.4
315.07257	1.8
351.31641	0.5
353.08810	1.8
367.10388	0.6
447.08923	0.8
489.10303	6.5
490.10809	2.2
491.11118	2.5
505.10004	0.5
507.10855	0.6
521.12988	100.0
522.13361	6.3
593.14844	5.9
595.16547	0.6
635.16150	9.4
636.16895	1.1
656.79285	0.5
829.23706	0.5
1115.35791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
79.09064	0.1
83.01263	0.3
105.03361	0.1
107.01263	1.0
109.02838	0.2
112.04147	0.1
121.02843	0.2
123.00761	0.1
132.02084	0.1
133.02840	2.0
134.03664	0.5
148.01553	0.1
149.02328	0.7
149.99466	0.2
151.00267	2.0
152.79413	0.1
157.02803	0.1
161.02457	0.1
169.01306	0.2
171.04448	0.1
175.03934	0.9
177.01859	0.1
183.04430	0.3
185.05934	0.2
187.03915	0.3
188.04655	0.1
189.05591	0.1
195.04396	0.1
197.05974	0.2
198.03094	0.2
199.03906	0.9
200.04630	0.3
201.01781	0.2
211.03868	0.5
212.04698	0.1
213.05351	0.2
215.03462	0.2
217.04985	0.6
220.98045	0.1
227.03394	0.9
228.04129	0.1
229.04884	0.1
239.03392	0.2
240.04108	0.2
241.04964	0.5
243.02974	0.3
255.02916	0.8
256.03735	2.3
257.04462	0.2
267.02893	0.1
269.04474	0.4
283.02362	0.5
284.03244	37.4
285.04007	64.2
286.04373	2.9
297.03940	0.5
299.05692	0.2
311.05838	0.1
313.03571	0.1
327.05023	1.0
429.08197	0.2
447.09225	1.1
472.82269	0.1
488.09210	0.2
489.10345	100.0
490.10681	8.2
533.09528	0.2
826.33215	0.1
962.20044	0.1
978.09509	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	1099.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01755	0.2
81.03337	0.3
81.70947	0.1
83.01261	0.1
85.02831	0.9
91.01768	0.3
91.05410	0.1
93.03336	0.4
95.01253	0.8
97.02837	0.8
98.19658	0.3
101.02288	0.2
107.01266	0.3
107.04909	0.2
108.02050	29.7
109.02843	8.8
113.02317	0.4
117.03336	0.1
119.01257	0.6
119.04936	0.3
121.02850	1.5
123.00751	0.8
123.04411	0.3
125.02344	1.6
132.02007	0.2
133.02841	0.4
134.03642	0.3
135.00742	0.3
135.04390	0.5
137.02325	0.2
138.03145	0.2
147.00793	0.4
147.04414	0.5
148.01512	0.4
149.02342	7.9
150.03134	0.7
151.00275	0.9
151.03915	0.2
152.01053	42.8
153.01839	15.6
153.02840	0.2
154.02133	0.2
161.02357	0.3
162.03040	0.1
162.39052	0.1
163.03934	0.9
164.04695	6.2
165.01820	0.4
165.05447	0.3
166.02509	0.2
167.03360	0.5
175.00281	4.1
176.01074	3.3
177.01805	0.4
179.03477	0.2
179.07060	0.7
189.01822	0.1
190.02634	11.1
191.03418	6.7
193.01350	0.2
194.02156	0.2
201.05386	0.1
201.07579	0.1
204.36496	0.1
205.04994	9.1
206.05437	0.3
207.02890	0.2
208.03676	0.2
209.04466	1.2
223.06061	5.5
233.04565	0.2
243.02892	0.2
259.63428	0.1
268.03790	0.2
269.04529	4.3
270.04901	0.3
273.07742	0.3
284.03290	0.3
285.03952	0.5
286.04230	0.2
293.98883	0.1
297.06155	2.6
315.07205	1.9
337.05634	0.2
338.06265	0.9
352.08075	0.4
353.08829	2.2
367.10315	0.3
489.10416	0.5
490.10611	0.2
506.10434	0.1
520.12408	0.4
521.12958	100.0
522.13312	3.9
577.15460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.663
Annotation	Unknow
Peak:m/z	Relative Intensity
79.63593	0.7
80.02498	0.9
83.04883	3.7
84.22165	0.7
85.02835	0.7
87.00761	1.1
89.02319	1.6
95.04885	0.8
96.95885	3.5
97.02845	1.5
99.00767	0.8
101.02313	2.3
111.08027	10.8
113.02328	1.2
135.07979	1.1
161.04425	1.8
163.11183	3.0
165.12764	2.4
169.12283	5.0
171.10127	2.6
171.54402	0.8
181.12279	1.4
183.13803	1.3
197.11748	60.8
198.12068	2.4
199.13272	3.1
209.11755	91.5
210.12082	3.3
211.13310	10.6
223.13481	0.7
227.12825	15.2
235.08246	6.5
247.20551	1.3
253.09258	14.0
263.20190	3.1
265.18033	1.6
273.18457	1.9
291.19617	24.9
292.19928	1.4
309.20667	100.0
310.21146	5.2
310.24353	1.1
433.20837	0.9
445.20706	4.5
463.21796	1.2
467.39996	0.9
501.32095	1.5
527.28448	2.6
542.46155	0.8
545.29510	4.5
559.39087	0.8
709.41968	0.9
737.41095	1.2
785.39703	2.0
786.40027	2.1
787.40204	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	1095.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
80.08726	0.1
83.01228	0.2
85.02791	0.1
88.90828	0.0
93.03312	0.1
96.95907	0.1
98.20502	0.1
107.01258	0.6
108.02036	0.1
108.59892	0.1
109.02818	0.1
114.95924	0.1
125.02298	0.1
132.01129	0.1
132.02087	0.2
133.02789	0.6
134.03642	0.6
135.04390	0.2
136.01549	0.1
148.01544	0.1
149.02341	0.1
149.05965	0.1
149.99478	0.1
150.14262	0.0
151.00285	0.9
152.01047	0.1
161.02345	0.6
167.03214	0.1
169.01286	0.2
175.03905	0.2
177.05418	0.1
179.03404	0.2
183.04405	0.2
187.03897	0.2
188.04713	0.1
191.05615	0.1
193.04959	0.1
199.04088	0.1
200.04785	0.3
203.03397	0.4
211.03969	0.4
212.04710	0.2
216.04111	0.1
227.03427	0.7
228.04192	0.2
239.03432	0.2
240.04132	0.1
255.02953	3.3
256.03729	2.4
257.04193	0.1
269.04538	0.3
282.99918	0.1
283.02481	2.7
284.03253	61.9
285.03625	2.9
294.05444	0.1
297.04120	0.7
298.01471	0.1
298.04800	1.5
299.05594	100.0
300.05927	4.1
300.09518	0.1
306.05417	0.1
321.07663	0.2
326.04254	0.2
341.06430	1.4
365.06552	0.2
383.08035	0.1
428.07382	0.1
443.09610	0.6
444.10516	0.1
446.08847	0.1
461.10733	0.3
488.09583	1.1
503.11966	5.4
504.12256	0.2
547.21814	0.4
597.23212	0.1
626.20502	0.1
741.34918	0.1
815.94788	0.1
1081.54858	0.1
1095.37854	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	1085.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01726	0.1
79.40293	0.1
81.03327	0.4
85.02819	1.1
87.71587	0.1
91.01769	0.3
92.58233	0.1
93.03328	0.5
94.77540	0.1
95.01268	0.7
97.02808	0.6
101.02302	0.2
106.63438	0.1
107.01285	0.3
108.02048	28.9
109.02851	8.3
109.03458	0.1
110.03162	0.2
113.02295	0.4
117.03323	0.2
119.01269	0.5
119.02036	0.1
119.04906	0.2
121.02834	1.6
123.00771	0.8
123.04420	0.3
125.02341	1.4
132.02072	0.1
133.02837	0.3
134.03606	0.3
135.00748	0.4
135.04404	0.5
145.02782	0.2
147.00763	0.4
147.04408	0.3
148.01569	0.3
149.02342	7.8
150.03111	0.7
151.00237	0.7
151.03911	0.4
152.01051	45.5
153.01834	15.7
153.02855	0.1
154.02165	0.3
161.02341	0.5
162.03142	0.1
163.03917	0.8
164.04695	5.5
165.01833	0.4
165.05353	0.5
166.02536	0.1
167.03394	0.5
175.00284	4.2
175.03801	0.2
176.01067	3.6
177.01819	0.4
177.12460	0.1
179.03415	0.3
179.07080	0.7
187.03868	0.1
189.01945	0.2
190.02629	10.1
191.03416	6.7
192.03770	0.3
193.01314	0.2
193.04990	0.1
194.02176	0.2
202.31512	0.1
205.04990	9.2
206.05426	0.4
207.02893	0.3
208.03587	0.3
209.04486	1.0
218.02119	0.2
223.06062	5.4
224.06450	0.3
232.03577	0.2
233.04456	0.2
243.03032	0.2
257.04623	0.2
258.05362	0.2
269.04468	1.1
270.04840	0.2
273.07620	0.3
285.03912	0.2
297.06125	2.1
298.06436	0.1
315.07187	1.6
337.05472	0.2
338.06326	1.0
352.07990	0.4
353.08719	2.0
361.15018	0.1
367.10367	0.3
477.13791	0.1
506.10461	0.2
507.10831	0.2
520.12415	0.2
521.12952	100.0
522.13312	7.8
522.19971	0.2
547.63373	0.1
563.14056	0.3
578.15723	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	1069.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
76.68259	0.1
79.01750	0.1
81.03340	0.4
83.01256	0.4
85.02820	1.4
87.00766	0.1
89.03840	0.4
91.82748	0.1
93.03326	0.2
95.01264	1.0
97.02832	0.8
98.20621	0.1
99.00715	0.1
101.02311	0.1
104.65604	0.1
105.03346	0.1
107.01277	0.9
107.04922	0.2
108.02050	33.9
109.02847	9.3
110.03183	0.3
113.02327	0.2
115.90704	0.1
117.03340	1.1
119.04919	0.2
121.02845	0.5
123.00774	1.2
125.02328	1.7
132.02065	3.1
133.02855	3.3
134.03635	12.7
135.00740	0.3
135.04456	1.3
137.02312	0.3
139.03915	0.1
145.02859	0.1
147.04425	0.3
148.01602	0.3
149.02377	0.4
149.05975	1.3
149.99536	0.1
150.02673	0.1
151.00275	2.2
151.03954	0.2
152.01054	51.5
153.01836	19.1
154.02216	0.5
160.01564	13.2
161.02351	8.0
162.02763	0.3
163.03909	0.7
165.01860	0.2
167.03439	0.3
167.04680	0.1
169.01398	0.1
171.04384	0.2
174.03125	0.1
175.03915	13.7
176.04271	0.7
177.01846	0.6
177.05453	0.1
178.02589	0.4
179.03423	1.1
183.04489	0.1
187.03897	0.1
188.04614	0.1
189.05423	0.1
192.04068	0.1
193.04982	7.5
194.05327	0.2
197.05977	0.1
198.03059	0.1
198.06306	0.1
199.03860	0.7
200.04556	0.4
201.01910	0.1
202.02483	0.2
203.03470	0.2
207.02892	0.1
210.03194	0.1
211.03780	0.3
212.04477	0.2
213.05388	0.1
214.05794	0.1
215.03571	0.1
217.04938	0.6
218.05457	0.1
219.02856	0.1
223.03940	0.1
224.04398	0.1
227.03513	0.5
228.04071	0.4
229.04420	0.1
230.75584	0.1
239.03412	0.2
240.04001	0.1
241.04807	0.3
242.05690	0.3
243.02904	0.2
243.06534	0.3
244.03217	0.1
255.02948	0.3
256.03693	1.2
257.04120	0.6
258.04111	0.1
267.02872	0.1
268.03729	0.1
269.04462	0.7
270.04807	0.1
283.02448	0.2
284.03250	18.3
285.03912	37.1
286.04279	18.3
287.04565	6.6
288.04797	0.2
297.06198	2.8
299.05161	0.1
299.55463	0.1
315.07236	1.9
316.07669	0.1
322.06863	0.3
323.07690	2.4
324.08047	0.1
327.05234	0.4
328.05341	0.3
329.05756	0.1
337.09213	0.5
429.07867	0.1
447.08359	0.3
448.09067	0.3
449.09744	0.2
459.09061	0.1
489.10364	22.1
490.10712	20.5
491.11749	100.0
492.12128	8.7
577.15881	0.3
674.32733	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01257	0.4
98.20615	0.5
105.03363	0.3
105.20264	0.1
107.01273	1.4
109.02831	0.4
121.02879	0.3
133.02843	3.2
134.03636	0.9
146.28143	0.1
149.02339	1.0
149.99475	0.2
151.00279	3.0
151.02292	0.2
155.04877	0.2
169.01311	0.3
171.04472	0.3
175.03944	1.7
177.01826	0.3
183.04433	0.4
185.05977	0.4
187.03970	0.3
188.04657	0.2
195.04405	0.2
197.05894	0.3
198.03239	0.2
199.03944	1.4
200.04649	0.6
201.01846	0.6
201.95515	0.1
211.03960	0.9
212.04675	0.4
213.05342	0.4
214.02748	0.2
215.03409	0.3
217.04959	1.0
223.03798	0.2
227.03395	1.3
228.04057	0.3
229.04927	0.3
230.62311	0.2
239.03346	0.4
241.05005	0.6
243.02977	0.5
255.03000	0.9
256.00955	0.2
256.03726	3.9
257.04330	0.7
267.02948	0.3
269.04431	0.3
283.02322	0.8
284.03253	59.4
285.04010	90.2
286.04361	3.2
297.04001	0.6
299.05539	0.3
327.05109	1.4
357.06439	0.3
368.62241	0.2
398.42075	0.1
429.08331	0.3
447.09183	1.4
489.10355	100.0
490.10742	5.0
533.09302	0.2
662.28143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1069.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
75.82275	0.1
78.75515	0.1
81.03275	0.1
83.01240	0.3
85.02839	0.1
87.00700	0.1
88.08545	0.1
91.01749	0.2
93.03317	0.8
96.95899	0.1
101.02296	0.2
105.03318	0.1
105.37858	0.1
107.01258	1.9
108.02030	0.2
109.02824	0.3
113.02319	0.2
114.13187	0.1
117.03337	4.2
117.04188	0.2
119.04923	0.1
121.02832	0.3
123.00731	0.1
125.02311	0.1
133.02795	0.1
135.00754	0.5
135.04405	0.4
137.02316	0.3
143.04924	0.1
148.01547	0.2
149.02335	1.1
149.99510	0.1
151.00233	1.2
152.01025	0.2
153.01801	1.1
155.04932	0.1
157.06451	0.2
159.04416	1.8
161.02321	0.9
169.01291	0.2
169.06471	0.5
171.04391	0.3
172.05190	0.1
175.03871	0.1
179.03346	0.1
180.05717	0.2
181.06439	0.5
182.03743	0.1
183.04425	0.9
185.02522	0.1
191.05487	0.3
195.04430	0.2
195.75963	0.1
196.05164	0.5
197.06012	0.8
199.03937	0.2
200.04590	0.2
201.05530	0.7
203.03349	0.2
210.03358	0.1
211.03957	0.2
212.04654	0.2
213.05396	0.1
224.04758	0.4
225.05489	1.5
226.05923	0.1
227.03413	0.5
232.33272	0.1
239.03427	0.5
240.04262	0.8
241.05196	0.1
243.06548	0.2
267.02924	0.3
268.03745	16.5
269.04520	100.0
270.04874	4.9
281.04495	0.1
285.04166	0.2
297.03986	0.3
311.05499	1.3
335.05411	0.1
405.11978	0.3
413.08820	1.6
431.09775	0.4
432.85828	0.1
443.11618	0.2
473.10858	23.3
474.11234	1.6
619.16608	2.5
620.16956	0.5
621.17444	0.1
637.18158	0.1
707.96667	0.1
1069.36560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
79.75998	0.2
81.21296	0.2
83.01266	1.0
85.02827	0.9
85.43518	0.3
87.00735	0.3
89.02311	0.4
91.27494	0.3
93.03341	1.2
95.01292	0.3
96.95895	1.1
99.00735	0.5
101.02271	0.6
101.29139	0.3
103.07320	0.3
107.01266	1.9
108.02058	0.9
109.02863	0.7
113.02322	1.1
117.03348	3.5
119.01279	0.4
119.04943	0.9
121.02831	0.4
123.00761	0.4
123.04474	0.3
125.02316	1.0
132.02022	0.3
133.02849	1.0
134.03615	1.3
135.04420	1.4
137.02315	1.0
145.02849	0.5
148.01608	0.3
149.02335	2.1
149.99463	0.3
150.03185	0.4
151.00276	2.2
151.03889	0.4
152.01053	1.1
153.01811	0.9
155.09282	0.3
159.04396	1.2
160.01646	0.6
161.02335	2.0
161.04469	0.3
163.03946	0.7
164.04668	0.8
165.01797	0.3
165.05472	0.5
166.04987	0.6
167.03394	0.5
168.00479	0.3
169.01308	0.5
169.06438	0.6
171.04422	0.5
173.04482	0.6
175.00217	0.5
175.02411	0.4
175.03914	0.7
177.01831	0.4
179.03433	0.4
181.05025	0.3
181.06456	0.5
183.04446	1.1
190.02705	0.5
191.05594	0.8
193.04991	0.5
195.04538	0.3
195.06465	0.4
196.05231	0.8
197.06023	0.8
199.03960	0.5
200.04671	0.5
201.05528	0.7
203.03436	0.3
205.05026	1.0
211.03983	0.5
222.98505	0.3
223.06100	0.8
224.04735	0.6
225.05550	1.8
227.03426	1.3
229.66049	0.3
239.03513	0.7
240.04149	0.8
241.04926	0.5
243.06424	0.3
255.02950	5.2
256.03683	2.5
263.00378	0.3
267.02972	0.3
268.03748	13.1
269.04529	100.0
270.04898	3.7
271.05334	0.4
281.04523	0.4
283.02484	2.9
284.03238	59.5
285.03699	3.6
289.11938	0.4
297.03857	0.6
298.04773	1.2
299.05582	85.7
300.05859	2.9
311.05576	3.1
331.06677	0.4
333.10452	0.4
413.08957	0.3
428.07452	1.1
431.09732	1.0
443.09830	3.7
473.10861	15.7
474.11200	0.7
488.10574	0.4
503.11945	4.1
547.16876	0.6
577.45795	0.3
607.24805	0.4
648.70148	0.3
1065.35876	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	1061.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00732	0.4
83.01256	1.6
85.02824	2.1
85.38265	0.4
87.00762	0.8
89.02314	0.9
91.01746	0.6
93.03348	1.3
94.06548	0.4
95.01259	0.7
96.95895	3.4
97.02838	0.4
99.00770	0.7
101.02345	0.5
105.03366	0.6
107.01248	2.4
108.02067	1.1
109.02880	2.0
113.02320	1.4
117.03376	0.4
119.04917	1.0
120.04397	0.4
121.02827	1.1
122.06040	1.9
123.00809	0.7
123.04418	0.6
125.02340	1.2
132.02150	0.5
133.02853	7.2
134.03625	1.4
134.06023	1.0
135.00793	0.9
135.04391	1.6
136.07573	1.3
137.02351	1.7
141.04114	0.6
147.04402	0.7
149.02335	5.5
149.05975	0.5
149.99419	0.5
150.03131	0.6
151.00285	6.1
151.03929	0.9
152.01067	1.5
153.01759	1.8
153.14983	0.4
160.01540	1.2
161.02290	0.5
161.04462	0.7
163.03911	1.1
164.04698	2.4
165.01770	0.5
165.05394	0.7
166.02550	0.8
167.03375	0.4
168.00607	0.5
169.01218	0.5
171.04477	0.8
173.06085	0.4
175.00255	0.5
175.02489	0.8
175.03906	4.4
177.01900	1.1
179.03345	0.5
179.07002	0.5
181.04973	0.9
185.06065	0.5
187.03937	0.5
188.44441	0.4
190.02614	1.6
193.04979	1.5
198.03194	0.5
199.03937	2.7
201.01846	1.0
203.05589	0.4
205.05022	1.2
212.04642	0.6
213.05515	1.1
215.03450	0.4
215.11981	0.8
217.04941	1.5
223.06078	3.1
223.07962	0.4
227.03485	0.4
229.05013	0.5
236.09450	0.6
237.10254	0.9
239.03603	0.5
239.08119	0.4
239.11829	0.4
241.04985	1.1
241.13483	0.9
243.03069	0.7
243.14967	0.5
250.07611	0.5
251.08119	0.5
251.11972	0.8
255.02916	2.4
256.03720	1.4
257.04544	0.8
262.07602	0.5
263.08170	1.3
263.11810	0.8
264.09018	1.1
265.09946	0.9
265.13486	1.2
266.07330	0.4
267.07211	1.3
267.11383	2.8
269.04547	1.7
269.12909	1.0
270.04852	0.5
273.10681	0.4
276.09073	0.6
277.09885	1.3
278.10492	0.5
279.11377	0.7
282.10037	0.5
283.02515	1.0
284.03278	18.1
285.04047	100.0
286.04404	5.1
287.14044	0.8
291.11407	1.4
292.12198	0.7
293.12930	3.1
297.04062	1.1
299.05637	1.4
304.08286	0.7
305.09146	0.5
308.07178	0.4
311.02036	2.7
313.03464	0.6
318.10141	0.5
319.10818	1.3
327.05106	0.9
328.10953	1.5
329.11594	0.6
331.06708	0.5
337.11865	0.9
342.12469	0.9
343.13135	2.2
344.13861	1.3
345.14853	0.5
356.13962	0.5
357.15018	0.9
358.15604	5.6
359.16241	0.7
360.17105	0.7
369.10809	0.7
370.15610	0.5
372.13147	0.9
372.17200	2.7
373.18057	0.8
374.18600	0.4
383.12625	0.6
384.13425	1.2
384.17514	0.6
385.14185	1.1
386.14880	4.1
386.18530	0.6
387.19507	1.2
398.15021	2.2
399.15918	2.4
400.16650	8.1
401.17014	0.5
406.19623	0.4
412.16824	1.1
413.17288	1.6
414.18478	2.4
415.19046	1.8
417.15829	1.6
421.26584	0.5
426.14731	0.8
429.16971	0.8
440.16147	1.5
441.16794	2.6
444.15372	1.0
447.09323	33.9
448.09702	1.7
459.17963	6.2
460.18848	0.6
463.17810	0.5
465.18988	0.5
476.24930	0.5
477.18988	0.8
480.21561	0.7
481.22394	0.5
491.17450	0.4
493.22385	1.1
494.23206	1.1
495.24002	1.4
509.25717	0.9
521.21857	1.4
535.23462	1.2
537.24921	0.7
551.23047	1.5
563.22998	6.1
581.24054	32.8
582.24408	3.0
599.25262	5.3
607.20056	0.7
613.26129	1.1
717.22998	2.5
718.22485	0.7
725.28442	1.3
743.29425	7.6
744.29657	1.0
775.31622	1.5
889.26807	0.5
907.28204	1.2
961.34674	1.0
985.35919	0.9
999.33905	1.4
1011.33411	5.8
1012.32770	1.4
1029.34119	51.5
1030.34485	10.6
1061.38855	2.5
1062.36328	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00735	0.4
81.03289	0.3
83.01243	0.8
85.02817	1.2
87.00722	0.3
88.83833	0.2
89.02305	0.4
91.01820	0.3
93.03341	0.7
95.01324	0.3
96.95905	1.5
98.20595	0.4
101.02295	0.5
105.03345	0.5
107.01281	2.0
107.03640	0.3
108.02071	0.6
109.02805	1.5
110.05985	0.5
113.02330	1.1
121.02833	1.3
122.05984	1.8
125.02345	0.7
131.55515	0.3
132.02055	0.7
133.02840	6.8
134.03604	1.0
134.06017	0.6
135.04407	0.7
136.07588	1.4
137.02336	0.5
141.04079	0.5
144.04434	0.3
147.04382	0.4
149.02335	3.5
151.00273	4.6
151.03946	0.6
152.01050	0.7
153.01813	1.1
157.89821	0.3
159.04422	0.3
159.96548	0.3
160.01564	0.6
161.02437	0.5
163.03807	0.3
164.04694	1.0
165.01949	0.4
166.02641	0.6
169.01411	0.3
171.04378	0.5
174.05551	0.3
175.00250	0.5
175.02478	0.4
175.03896	2.8
177.01810	0.8
179.03644	0.3
181.04939	0.6
183.04366	0.3
185.05951	0.6
187.03925	0.3
190.02600	0.9
191.05624	0.3
192.15828	0.3
193.04988	0.8
195.06462	0.3
197.05963	0.4
199.03859	2.3
201.01854	0.9
205.04974	1.0
211.03952	0.7
213.05449	0.5
215.03329	0.3
215.11855	0.7
217.04951	1.4
223.06110	1.6
227.03505	0.6
229.04958	0.3
236.09419	0.4
237.10265	0.9
239.03394	0.4
239.11813	0.4
241.04999	1.2
241.13423	0.9
243.02989	0.7
243.14847	0.5
249.10315	0.6
251.11868	1.0
253.09555	0.3
255.02940	1.8
256.03732	1.2
257.04480	0.5
262.07483	0.6
263.08246	0.8
263.11856	0.5
264.08987	1.4
265.09802	1.2
265.13449	1.1
267.07202	0.8
267.11371	2.1
269.04489	1.8
269.12881	0.7
275.11954	0.4
276.08835	0.4
277.09860	1.9
278.10559	1.1
279.11362	0.4
281.09518	0.3
283.02335	0.9
284.03256	16.4
285.04022	100.0
286.04330	4.0
287.14084	1.1
290.10617	0.7
291.11426	1.6
292.12152	0.8
293.09540	0.5
293.12845	3.1
294.13684	0.4
297.04034	1.3
305.09305	0.3
311.01965	2.6
313.03510	0.9
317.09384	0.5
318.09879	0.6
319.10855	1.4
320.11389	0.3
327.05038	0.8
328.10718	1.4
329.11749	0.5
330.12448	0.5
331.06522	0.4
337.11948	0.6
342.12469	0.8
343.13199	1.9
344.14081	1.0
345.14682	0.5
356.10126	0.5
356.14111	0.4
357.15060	0.6
358.15601	5.4
359.16022	0.9
360.17093	0.6
370.11588	0.6
370.15594	1.1
371.12579	0.6
371.16772	0.6
372.13342	0.5
372.17236	2.5
373.17752	0.5
374.18802	0.7
382.15793	0.4
384.13419	1.2
384.17612	0.6
385.14008	0.9
385.18332	0.7
386.14743	3.8
386.18130	0.6
387.19565	1.3
396.17050	0.7
398.14832	2.0
399.15833	1.9
400.16595	7.8
401.17239	0.7
412.16791	1.5
413.17566	1.7
414.18359	2.0
415.18842	1.7
417.15622	1.2
418.17477	0.6
422.59247	0.3
426.14645	1.1
428.16086	0.4
429.08084	0.9
429.17563	0.4
440.16193	0.8
441.17087	1.8
444.15759	0.6
445.16183	0.4
447.09271	32.3
448.09509	1.8
450.16888	0.4
458.17041	0.7
459.17935	4.8
460.18521	0.4
463.17523	0.4
465.18857	0.6
467.21027	0.7
477.19086	0.7
479.20959	0.5
480.21561	0.9
481.22269	0.9
491.16910	0.4
493.22794	0.8
494.23560	0.7
495.23953	1.1
509.26010	0.7
521.21832	1.6
535.23431	1.0
536.24139	0.4
537.25226	1.4
539.22784	0.6
551.23071	1.6
555.26001	0.6
563.23004	5.5
564.23053	0.5
581.23987	32.9
582.24316	3.6
597.23676	1.0
599.25122	5.8
607.20209	0.5
613.26654	0.8
623.24670	0.4
631.27563	0.5
715.21198	0.5
717.22778	2.2
725.28070	0.7
727.21216	0.3
743.29230	7.2
744.30066	0.9
775.32086	1.6
888.27527	0.5
889.26855	0.9
907.27917	1.1
961.34760	1.5
980.60211	0.4
985.35333	0.7
999.32605	1.6
1011.32715	5.3
1012.32703	1.1
1029.34058	47.1
1030.34167	8.1
1061.35815	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	1061.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01247	0.5
85.02824	0.9
89.02299	0.6
93.03318	0.4
98.19765	0.5
99.04399	2.7
101.02321	1.5
104.40955	0.2
107.01256	0.9
109.02844	0.7
121.02861	0.3
125.02319	1.7
133.02820	2.2
134.03609	0.8
145.07602	0.7
149.02322	0.8
150.02806	0.2
151.00258	3.0
152.01126	0.2
155.33965	0.3
160.06349	2.0
161.02383	0.2
161.04453	1.4
161.07106	7.8
162.80780	0.2
165.01872	0.2
165.04076	0.2
169.01443	0.3
173.10733	0.3
175.03915	1.1
175.08678	5.5
185.06087	0.4
187.08714	0.7
189.06613	14.8
190.07021	0.5
191.01851	0.5
191.05502	1.7
195.04404	0.3
195.47350	0.3
197.05936	0.3
198.03304	0.3
199.03905	1.5
200.04758	0.2
201.01804	0.4
201.10306	1.1
203.08194	7.0
203.11832	1.7
209.03035	0.3
211.03955	0.5
217.05011	0.8
227.03551	1.4
228.03900	0.3
229.09775	3.6
239.03458	0.3
243.02928	0.3
255.02928	1.6
256.03711	2.1
257.04611	0.4
269.04514	0.5
277.11905	0.8
284.03247	42.6
285.04010	59.6
286.04404	2.9
301.03366	0.4
305.11420	8.7
309.03976	0.7
323.12457	26.0
324.12915	1.2
327.05069	1.0
357.05878	0.3
365.13522	4.5
405.16663	0.8
424.25494	0.3
429.08032	0.5
447.09235	3.5
448.09488	0.4
463.08655	0.3
467.16675	13.8
468.17004	0.8
593.15057	100.0
594.15375	6.7
816.37579	0.3
914.79907	0.3
935.90118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
73.60363	1.9
82.73577	1.9
83.01260	3.1
85.02807	5.3
86.88410	2.1
87.00748	35.0
89.02315	9.8
96.95871	3.8
97.02837	5.9
101.02315	8.4
111.08060	4.7
113.02328	5.2
115.00249	40.3
115.77147	1.8
116.92732	2.9
119.81268	1.7
123.08018	1.7
125.02306	4.7
125.09618	1.8
161.04497	2.1
169.12251	2.3
171.10161	3.9
175.02379	75.6
179.05542	3.9
179.10594	2.0
197.11739	26.4
209.11758	3.8
211.13329	6.6
221.06598	2.4
233.11563	2.3
235.08191	4.1
240.43803	1.7
271.31104	1.9
277.21677	4.1
285.85074	1.8
287.07755	2.2
291.19653	23.5
309.20667	100.0
310.20926	4.2
367.16309	2.2
369.16446	2.8
397.13489	30.3
415.14523	15.4
601.41650	4.1
689.34143	3.9
707.34882	8.4
712.70453	2.6
999.54742	2.5
1047.62524	2.0
1059.50659	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	1057.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
79.34547	0.1
83.01263	0.7
93.03368	0.2
101.20692	0.2
107.01254	2.3
107.68092	0.2
108.02073	0.4
109.02837	0.6
109.09974	0.1
121.02834	0.8
124.01484	0.2
125.02354	0.2
133.02818	1.8
133.03667	0.2
134.03622	0.4
135.00798	0.3
148.01569	0.6
149.02306	0.8
151.00273	7.1
152.00572	0.2
159.04283	0.2
163.00290	1.0
164.01028	0.3
169.01373	0.6
171.01900	0.2
171.04347	0.3
173.06017	0.2
174.03110	0.2
175.03893	1.2
176.04314	0.2
177.01816	0.3
178.99759	2.0
180.00113	0.2
183.04390	0.5
185.05998	0.3
187.03918	0.3
189.01842	0.2
189.05449	0.2
192.96193	0.2
193.88026	0.1
197.06000	0.2
198.03119	0.3
198.40080	0.2
199.03966	1.3
200.04568	0.4
201.01883	0.4
201.05489	0.2
211.03934	0.9
213.05452	0.5
214.02507	0.2
215.03374	0.5
216.04250	0.2
217.05040	0.7
226.02664	0.6
227.03465	1.7
228.04131	0.2
229.05005	0.4
237.63551	0.2
239.03493	0.3
241.01390	0.3
241.05008	0.4
242.01848	0.5
243.02937	4.1
244.03670	0.3
245.00874	0.2
245.04520	0.6
254.02219	0.8
255.02963	10.4
256.03662	2.2
257.04514	0.4
267.02811	0.2
270.01697	0.6
271.02463	22.1
272.02893	1.7
273.03970	0.5
283.02402	0.9
284.03262	37.6
285.04022	62.0
286.04391	3.6
297.03992	0.2
299.02032	1.5
300.02731	41.3
301.03464	19.1
302.03802	0.9
309.03989	0.6
327.04932	0.9
429.08179	0.3
447.09286	3.0
448.09485	0.2
461.07144	0.9
462.07697	0.9
463.08798	39.8
464.09100	3.2
473.10651	0.2
593.15088	100.0
594.15387	10.8
623.09192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
76.59234	0.2
83.01247	0.4
85.03500	0.2
90.05597	0.2
99.42198	0.2
107.01266	1.1
109.02820	0.5
109.89798	0.3
121.02792	0.4
133.02840	3.5
147.00821	0.3
149.02321	1.3
151.00266	3.5
171.04413	0.2
175.02533	0.3
175.03880	1.7
177.01805	0.3
187.03946	0.4
191.05481	0.4
197.06003	0.3
199.03905	1.6
201.01823	0.6
206.95094	0.3
211.03909	0.4
213.05502	0.7
215.03519	0.4
217.04973	1.0
227.03389	0.5
239.03383	0.3
241.01367	0.3
241.05006	0.6
243.02957	0.8
255.02988	0.6
256.03662	0.9
257.04465	0.7
271.02493	1.5
284.03250	12.3
285.04019	100.0
286.04385	5.6
297.04153	0.4
297.12515	0.2
299.01904	0.3
300.02744	2.1
301.03415	0.6
327.04953	0.6
430.77914	0.3
461.07175	0.3
463.08658	1.4
493.77545	0.2
567.92871	0.3
592.13849	0.3
593.15082	86.9
594.15430	7.2
595.15582	0.9
650.52863	0.3
771.26801	0.3
800.49243	0.3
826.29950	0.3
838.06580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53617	3.6
59.01252	17.3
59.48981	3.2
62.55718	3.4
65.01311	4.2
69.24876	39.8
72.99182	65.6
75.00737	39.5
87.75884	3.5
91.37103	3.5
98.19697	6.7
105.01807	100.0
105.04441	10.4
106.04008	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	1053.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00739	0.2
79.95602	0.2
83.01247	0.6
85.02824	0.7
87.00726	0.3
91.01767	0.7
93.03327	0.5
95.01272	0.3
96.95885	2.0
97.02809	0.2
99.00766	0.4
101.02322	0.6
105.03366	0.3
107.01256	1.3
107.89555	0.2
108.02022	1.0
109.02832	2.4
113.02304	0.5
115.00237	0.2
117.03319	0.2
119.04918	0.3
121.02816	0.7
123.00771	0.3
124.01539	0.3
125.01549	0.1
125.02299	1.0
132.02060	0.2
133.02837	2.9
134.03632	0.9
135.00743	1.0
135.04404	0.6
137.02324	0.7
141.04086	0.2
144.99124	0.2
145.02805	0.2
147.00681	0.2
147.04462	0.4
149.02315	1.9
149.06015	0.3
149.99467	0.3
150.03105	0.6
151.00266	3.1
151.03918	0.4
152.01070	0.9
153.01833	1.8
160.01538	0.4
161.02353	0.5
161.04428	0.2
161.06029	0.2
163.03912	0.6
164.04636	0.5
165.01779	0.2
165.05389	0.2
167.03354	0.4
168.00519	0.4
171.04454	0.3
175.02470	0.3
175.03920	2.1
175.58621	0.2
177.01854	0.5
180.04166	0.2
181.05013	0.3
185.05991	0.3
187.03911	0.3
189.01790	0.2
189.05429	0.2
190.02655	0.5
190.44173	0.2
191.05467	0.2
193.04941	0.5
195.06500	0.2
197.06052	0.3
198.03024	0.2
199.03947	1.4
201.01859	0.4
205.04988	0.4
209.06033	0.3
211.03941	0.4
212.04570	0.2
213.05476	0.3
215.03392	0.3
217.04909	0.8
223.03998	0.2
223.06099	0.4
227.03476	0.4
229.04904	0.2
239.03410	0.2
241.04985	0.9
243.02972	0.4
243.06541	1.0
249.05878	0.2
253.05009	4.4
255.03036	0.5
256.03665	1.1
257.04575	0.3
267.02875	0.4
267.07031	0.3
269.04526	0.4
271.02448	0.3
275.93118	0.2
280.03735	0.2
283.02472	0.3
284.03247	19.9
285.04013	100.0
286.04358	4.6
297.03912	0.3
297.54514	0.2
299.05557	0.3
300.02661	0.9
301.03473	0.4
308.03329	0.2
309.03912	1.1
315.07217	0.3
327.05032	1.1
331.06699	0.4
335.01642	0.3
353.03049	0.6
353.10190	0.3
429.10120	0.2
447.09265	26.0
448.09839	1.4
463.08551	0.9
470.08133	0.2
471.09116	1.3
515.08252	69.5
516.08575	4.1
531.07709	0.8
741.21436	0.2
766.16309	0.2
922.77832	0.2
1052.43970	0.2
1053.46362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	13.4
73.02795	2.7
75.00736	2.4
81.03303	1.0
83.01255	4.2
85.02818	5.5
87.00736	16.6
89.02312	13.4
95.01248	1.3
95.04876	1.0
96.90546	0.9
96.99189	1.3
97.02815	2.8
99.00735	5.2
101.02312	15.3
101.10621	0.8
109.02866	1.2
111.00760	2.3
112.98679	13.0
113.02297	9.1
115.00249	21.2
119.03387	3.3
124.98711	3.6
125.02328	7.2
129.01845	1.2
142.99753	34.4
143.03392	2.2
145.01241	1.1
156.00568	2.5
161.04459	5.0
173.00818	9.1
174.01602	21.1
175.02397	34.0
179.05504	5.2
183.13864	6.4
193.12228	1.4
205.12122	1.0
211.13326	100.0
212.13701	3.5
221.11763	1.5
223.13354	4.6
233.11787	2.3
235.08266	5.6
235.13271	1.8
237.11026	1.3
237.14864	1.4
239.12817	1.6
245.11823	1.3
251.12811	1.7
263.12808	5.3
277.21689	55.4
278.22052	3.2
281.23254	1.0
287.07739	2.2
293.21158	1.1
305.08664	2.0
323.09766	1.9
379.12421	17.2
390.66476	1.2
397.13440	48.2
398.13824	1.7
415.14496	10.2
576.37469	1.3
591.26483	15.5
609.27570	12.0
657.34790	4.0
661.27252	1.2
675.35968	4.4
869.48175	3.3
907.47198	2.9
909.48193	1.9
921.48547	2.7
925.48096	16.7
926.48309	2.0
939.49261	3.2
943.48462	3.1
963.49341	1.9
965.47375	10.8
966.47772	2.0
983.48987	5.8
984.48370	1.5
1007.47729	2.6
1025.49329	5.3
1043.50183	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	1043.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
89.55750	0.1
98.19789	0.2
108.52502	0.1
109.59335	0.1
121.02818	0.5
131.01314	0.1
132.02032	0.1
133.02850	0.5
133.06439	0.1
148.01575	0.3
149.02364	0.4
149.03442	0.1
150.12720	0.1
159.04428	0.1
160.01567	1.0
161.02243	0.1
163.00272	0.1
172.01630	0.2
173.02310	0.1
175.00288	0.9
176.00845	0.1
183.04456	0.1
188.01076	5.5
189.01767	0.5
191.08372	0.1
197.06013	0.2
199.99478	0.1
200.01071	2.2
201.01862	2.6
209.06026	0.3
211.03906	0.2
219.06482	0.2
221.05995	0.1
224.04663	0.1
225.05463	0.8
227.03455	0.3
228.04272	0.2
235.03915	0.2
236.04594	0.1
237.05518	0.6
239.03395	0.3
241.04976	0.3
243.06531	0.8
244.07059	0.1
251.03465	0.2
252.04347	0.1
253.05019	1.9
255.02980	0.2
263.03436	0.3
264.04199	0.2
265.05002	0.9
266.02219	0.2
267.02924	0.7
267.10428	0.1
268.03799	0.2
269.04529	0.6
277.21707	0.1
279.02893	0.2
279.43338	0.1
280.03595	0.4
281.04544	1.5
284.03317	0.3
291.03040	0.4
292.03638	0.2
296.03159	0.2
297.04010	5.2
298.04364	0.3
308.03296	0.7
309.04022	59.6
310.04352	3.7
311.05530	0.2
312.06177	0.2
319.06027	0.2
323.05591	0.5
323.09262	0.3
324.09787	0.1
333.07700	0.4
334.08530	0.2
335.09079	0.5
337.07141	1.6
338.07486	0.1
344.05502	0.2
351.08688	1.7
352.09479	52.7
353.09839	3.4
367.11823	100.0
368.12167	7.0
397.13538	0.3
415.14560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01269	0.6
87.39826	0.2
105.03352	0.3
107.01260	1.7
109.02842	0.4
121.02826	0.4
125.02321	0.2
132.02063	0.3
133.02840	3.9
134.03639	0.9
148.01552	0.2
149.02335	1.2
150.99104	0.3
151.00261	3.8
159.04425	0.2
169.01340	0.2
171.04446	0.3
175.03918	1.6
177.01825	0.2
183.04466	0.4
185.05991	0.4
187.03938	0.3
189.05458	0.2
195.04514	0.2
197.06003	0.3
198.03119	0.2
199.03897	1.7
200.04721	0.3
201.01831	0.5
203.02063	0.2
211.03957	0.7
212.04703	0.3
213.05464	0.4
214.02736	0.2
215.03481	0.3
217.04994	1.0
226.02670	0.2
227.03448	1.5
228.04086	0.3
229.05031	0.3
229.75922	0.2
239.03383	0.5
240.04240	0.3
241.05003	0.7
243.02982	0.5
255.02988	1.8
256.03738	3.2
257.04416	0.6
267.02875	0.3
283.02551	0.7
284.03247	57.9
285.04007	90.2
286.04364	4.7
297.03992	0.3
309.04028	0.6
327.05093	1.3
357.06021	0.3
389.31952	0.2
429.08078	0.4
447.09290	28.9
448.09686	2.0
473.10654	0.2
493.52649	0.2
593.15063	100.0
594.15393	8.8
884.18494	0.2
901.02753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02819	0.2
76.88177	0.1
83.01263	0.2
83.17752	0.2
85.02826	0.6
87.00767	0.3
89.02328	0.4
93.03340	0.7
95.01252	0.3
96.95897	1.4
97.02792	0.2
99.00792	0.2
101.02342	0.4
107.01253	1.2
108.02032	0.5
109.02821	0.5
111.00708	0.2
113.02322	0.5
117.03336	2.3
119.04912	0.7
121.02830	0.5
123.00717	0.2
123.04417	0.3
124.01501	0.2
125.02338	0.5
132.02074	0.2
133.02798	0.2
134.03616	0.5
135.00766	0.3
135.04417	0.6
137.02361	0.7
139.02498	0.2
141.04074	0.5
145.02843	0.3
149.02341	0.9
149.99506	0.2
150.03067	0.4
151.00287	1.1
151.03902	0.2
152.01003	0.6
153.01877	0.4
157.06517	0.2
159.04424	1.1
160.01540	0.4
161.02357	1.1
163.03877	0.3
164.04712	0.3
165.01776	0.2
165.05475	0.2
166.02579	0.4
167.03404	0.4
168.00526	0.2
168.70007	0.2
169.01340	0.2
169.06480	0.3
173.04411	0.3
175.00284	0.3
175.03958	0.5
177.01744	0.2
178.02623	0.2
179.03386	0.3
180.04100	0.2
181.05020	0.4
181.06512	0.3
182.03738	0.2
183.04414	0.7
190.02641	0.5
191.05487	0.3
193.04977	0.5
195.04745	0.2
195.06535	0.4
196.05223	0.3
197.06052	0.5
199.04019	0.3
201.05505	0.5
205.04999	0.4
223.06068	0.3
224.04710	0.4
225.05486	0.8
227.03513	0.4
239.03394	0.2
240.04274	0.3
267.02991	0.2
268.01489	0.2
268.03763	8.4
269.04538	100.0
270.04877	7.2
271.05225	1.4
272.05450	0.3
283.06036	0.5
284.03226	0.6
285.04010	1.0
291.06595	0.2
311.05554	3.3
312.06021	0.2
331.06912	0.3
338.10883	0.2
357.08203	0.2
431.09854	1.2
473.10907	9.4
474.11273	1.1
475.11902	0.3
533.23157	0.2
644.36926	0.2
877.31165	0.2
1039.36316	0.5
1040.35071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02804	0.6
83.01267	0.5
83.04856	0.2
85.02808	2.0
87.00731	0.9
88.44362	0.2
89.02296	0.3
91.01721	0.2
93.03319	0.8
95.01231	0.3
96.95885	2.8
99.00741	0.5
99.01892	0.2
101.02303	0.5
107.01213	0.5
108.02068	1.2
109.02811	0.8
111.00794	0.4
113.02313	0.6
115.00235	0.3
116.70561	0.2
119.04883	0.5
121.02831	0.4
123.00755	0.6
123.04368	0.3
124.01548	0.4
125.02320	0.9
129.01779	0.6
132.01929	0.2
133.02840	0.6
134.03609	1.5
135.00714	0.3
135.04362	0.8
136.01503	0.3
137.02310	0.8
141.04057	0.5
145.02824	0.2
148.01576	0.4
149.02328	0.8
149.05972	0.2
149.99509	0.3
150.03093	1.2
151.00276	1.1
151.03839	0.8
152.01047	1.7
153.01816	1.3
160.01544	0.4
161.02335	0.7
163.03923	0.3
164.04704	0.3
165.01790	0.4
165.05453	0.7
166.02672	0.5
167.03349	0.4
168.00615	0.4
169.01331	0.3
173.04337	0.5
175.00240	0.3
175.02328	1.0
175.03780	0.4
177.01833	0.4
179.03424	0.3
179.06956	0.3
180.04112	0.2
181.04993	0.4
183.04413	0.3
184.05182	0.2
189.01888	0.3
190.02618	0.4
191.03383	0.2
191.05521	0.9
193.04990	0.7
195.06493	0.5
200.04692	0.3
201.11253	0.3
205.03423	0.7
205.05104	0.3
209.11726	0.3
211.03860	0.4
211.11220	0.2
223.05986	0.4
227.03429	0.7
255.02963	2.8
256.03708	2.5
260.64954	0.2
263.14935	0.2
268.03674	0.2
269.04364	0.5
269.08322	0.2
275.09247	0.2
283.02454	2.7
284.03238	61.5
285.03641	3.4
297.03967	0.6
298.04840	1.1
299.05582	100.0
300.05899	4.0
315.07367	0.3
321.07684	0.2
341.06485	1.5
365.06244	0.2
437.20374	1.1
443.09778	0.6
451.10062	0.2
481.17844	1.1
488.09543	0.7
503.11890	3.5
893.40570	0.3
1029.34436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	13.3
72.99194	1.1
73.02795	1.6
83.01276	1.5
85.02818	4.4
85.43498	1.1
86.01701	0.9
87.00762	2.1
89.02308	12.0
91.09103	1.1
95.01232	1.4
101.02306	10.9
108.16555	1.3
109.06456	7.3
111.04373	2.9
113.02317	5.9
119.03407	3.0
125.02316	4.2
139.22414	1.1
141.01593	3.1
143.03407	2.4
145.06543	1.4
149.09627	1.2
161.04466	2.1
167.10666	1.5
168.20683	1.3
179.05537	5.4
179.60916	1.3
195.13788	2.1
221.06540	1.6
235.08221	4.4
245.19144	3.5
256.56174	1.2
277.21729	42.1
278.22092	2.4
287.07639	1.9
287.16443	1.9
289.18073	100.0
290.18408	3.3
305.08740	2.3
307.19101	6.2
317.86398	1.4
323.09698	1.8
346.82462	1.2
379.12625	7.1
397.13467	36.0
398.13333	1.5
415.14612	8.5
669.31299	4.6
687.31818	3.5
769.03412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	18.4
71.04924	1.7
75.27909	1.6
78.61595	1.5
81.03336	2.0
83.01201	1.8
84.66466	1.8
85.02813	5.3
87.00755	4.6
87.90529	1.7
89.02328	15.6
95.01253	2.1
97.02783	2.3
99.00736	2.0
101.02325	17.7
109.06479	6.6
111.08034	2.4
113.02330	9.6
119.03355	3.7
125.02328	7.1
141.01640	8.9
143.03447	4.4
151.11249	2.2
161.04439	3.7
167.10692	2.7
179.05507	3.9
208.34322	1.4
215.14369	1.7
235.08099	5.1
245.19064	5.7
277.21689	60.3
278.21994	4.4
289.18091	100.0
290.18466	6.0
305.08545	2.2
307.19040	5.9
311.23849	1.7
379.12286	8.0
397.13498	52.8
398.13745	2.5
415.14401	11.2
669.31500	3.7
675.35858	1.9
687.33466	2.4
947.53967	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	33.3
72.99158	3.2
73.02824	5.1
79.35023	2.1
83.01236	5.0
85.02825	8.6
87.00751	9.5
89.02300	22.2
95.01250	5.0
97.02837	7.2
99.00765	3.4
99.52167	2.9
101.02312	29.0
105.28462	2.4
113.02319	14.7
116.92750	5.9
119.03399	5.9
123.04350	3.6
125.02294	11.9
143.03362	3.6
152.51051	2.7
161.04466	6.5
163.11217	6.6
165.67998	2.3
179.05542	4.4
185.11705	6.1
191.14366	7.3
202.13449	2.3
209.11786	9.1
221.06590	5.3
225.11147	4.2
228.56831	3.2
235.08171	8.3
245.19051	17.4
263.20010	3.9
271.17249	3.2
277.21689	100.0
278.22156	6.9
289.18079	99.0
290.18320	6.2
307.19113	88.4
308.19348	3.5
336.45572	2.4
376.68646	2.7
379.12323	9.0
397.13452	86.3
398.13397	2.5
415.14532	24.4
455.88458	3.1
602.98615	3.1
630.08740	2.6
687.32275	4.2
752.09998	3.0
805.53326	2.6
918.33545	2.6
965.54675	5.9
1052.68408	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	1025.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	29.5
71.73807	1.3
72.99186	3.4
73.02821	4.0
81.03320	3.0
83.01251	4.1
83.04910	1.5
85.02819	7.3
87.00754	8.5
89.02316	23.2
95.01243	3.4
95.04852	1.8
97.02834	6.3
97.06458	3.5
99.00747	3.5
101.02314	27.5
102.36165	1.2
104.52422	1.3
113.02332	16.4
116.92727	2.2
119.03381	7.4
121.06520	1.4
123.04423	3.1
124.01541	1.2
125.02333	9.4
125.09587	5.0
129.01031	1.3
131.03310	1.1
137.09621	3.0
143.03360	3.7
161.04451	6.4
163.11217	7.2
165.09225	1.6
179.05536	8.4
179.10593	1.2
185.11751	7.1
191.10715	1.5
191.14322	7.7
194.08643	1.3
203.09132	1.1
207.10159	2.3
209.11757	17.4
211.13354	1.9
215.62459	1.3
217.07089	1.5
221.06694	2.9
225.11256	2.4
227.12802	1.6
235.08151	8.8
237.11220	3.8
245.19048	13.6
246.19518	1.3
253.09204	1.4
263.20172	4.1
271.17035	2.5
275.06555	1.2
277.21701	100.0
278.22107	6.1
284.88120	1.3
289.18082	83.3
290.18497	4.6
305.08853	3.1
307.19131	82.1
308.19360	4.0
379.12299	11.0
397.13474	86.0
398.13721	3.6
415.14587	20.3
418.76556	1.6
436.75256	1.3
589.24750	1.4
675.35553	3.6
687.31726	4.2
965.54651	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	1025.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
73.28585	0.3
74.69942	0.2
82.08683	0.3
85.02837	0.3
87.00744	0.2
102.79612	0.2
103.37350	0.2
107.01272	1.0
109.02827	0.6
117.03263	0.2
117.90784	0.2
121.02811	0.5
122.28658	0.3
125.02346	0.3
130.44443	0.3
133.02843	3.1
149.02339	1.0
151.00269	3.0
171.04353	0.4
175.03918	1.5
177.01949	0.3
185.05997	0.3
198.03116	0.3
199.03902	1.7
213.05444	0.5
217.05054	0.7
227.03487	0.3
240.64261	0.3
241.05115	0.8
243.03008	0.5
255.02972	1.0
256.03699	1.2
257.04425	0.4
283.02676	0.3
283.06180	0.7
284.03271	12.3
285.04034	100.0
286.04401	4.5
297.03925	0.5
311.05487	1.2
327.05194	0.4
411.00281	0.3
431.09625	0.4
432.10092	0.4
490.89566	0.3
592.14008	0.7
593.15106	76.9
594.15417	5.5
745.49255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5693
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	31.2
71.06708	1.7
72.99164	2.8
73.02818	4.0
80.02519	0.8
81.03318	3.4
83.01261	6.1
83.04890	2.7
85.02824	9.1
87.00747	8.3
89.02315	24.8
90.03949	0.7
90.85737	0.6
91.03870	0.7
93.03371	0.8
95.01254	2.5
95.04876	1.9
97.02827	7.0
97.06487	6.2
99.00736	2.2
99.35536	0.6
101.02320	25.1
107.04913	0.7
109.02858	1.4
109.06455	1.1
111.04356	1.1
113.02335	14.7
116.92728	1.2
119.03397	6.7
121.02814	1.1
121.06500	0.9
123.04417	3.5
123.08030	2.4
125.02343	10.7
125.09609	7.2
131.03389	1.1
135.08073	1.1
137.05937	1.0
137.09619	4.5
139.03815	1.0
141.01801	1.1
142.02657	1.0
143.03395	4.9
149.04500	1.0
149.05951	1.3
149.09584	0.7
161.04440	7.2
161.09537	0.7
161.91272	0.7
163.07602	1.2
163.11177	9.8
165.12752	1.8
171.10141	0.8
177.12752	1.2
179.05533	9.1
179.10599	1.1
181.12259	2.1
185.11736	8.0
191.10760	1.4
191.14346	11.3
199.06017	0.8
207.10191	4.7
209.11769	21.8
211.13271	4.2
217.15955	1.7
221.06612	4.1
225.11238	3.7
235.08173	9.1
237.11258	6.0
243.17580	0.8
245.19054	20.6
246.19267	1.3
247.17021	1.1
253.09264	1.6
263.20197	4.7
271.17035	4.2
277.21713	98.0
278.21915	5.2
281.21201	2.4
287.07758	2.3
289.18091	100.0
290.18417	4.9
305.08728	2.9
307.19150	96.0
308.19495	5.9
319.22888	0.9
323.09766	2.4
325.20447	1.0
331.19040	0.9
379.12518	9.0
397.13480	63.3
398.13849	3.0
415.14563	20.3
416.15479	1.2
483.55368	0.7
607.26343	1.8
669.31384	1.6
687.31940	5.5
705.33026	5.6
867.47003	0.9
965.54767	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	1017.5643
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	12.1
71.59223	0.6
71.59573	0.4
72.99199	1.0
73.02828	1.0
75.00760	0.4
81.03321	0.6
83.01270	1.4
83.04897	1.1
84.02042	0.4
85.02821	6.7
87.00752	1.9
89.02317	9.1
89.70310	0.4
95.01278	0.6
95.04891	1.1
96.95885	6.9
97.02827	3.9
97.06464	1.4
98.95472	0.8
99.00781	0.5
101.02325	8.2
111.08051	2.7
113.02330	4.9
116.92753	0.6
119.03374	2.4
125.02332	3.3
125.09650	1.1
127.11167	1.8
131.03447	0.7
137.09669	2.3
141.01843	0.4
143.03409	1.6
153.12758	0.5
155.10651	0.8
160.10530	0.4
161.04462	1.8
163.11183	0.7
165.12738	1.6
167.14227	0.5
169.12265	2.0
171.10188	21.1
172.10597	0.5
177.12772	0.6
179.05516	3.1
179.10858	0.4
181.12201	1.2
183.13838	2.5
185.11754	0.8
193.12257	1.2
197.11769	12.1
199.13321	1.1
201.11232	1.0
209.11856	2.5
211.13339	15.9
212.13641	0.5
220.14595	0.6
221.06651	1.0
221.11832	2.4
221.15413	1.6
223.13446	0.5
227.12831	1.4
229.14401	8.7
235.08237	2.3
236.10541	1.1
239.12889	1.3
247.20717	1.3
253.09135	1.3
260.66586	0.4
263.07617	0.5
263.20178	0.7
273.18704	0.8
286.04742	0.4
287.07776	0.7
291.19690	14.2
293.17700	1.0
293.21063	0.5
305.08905	0.5
309.20712	42.6
310.21021	2.1
323.09851	0.7
327.21756	100.0
328.22095	4.9
343.21140	0.8
397.13495	26.1
398.13678	1.3
415.14600	19.4
619.42212	3.4
689.33893	0.5
707.22858	0.4
707.34827	9.8
708.35223	1.1
725.36224	5.9
726.36163	0.7
850.97961	0.5
1017.55347	1.6
1018.46545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	18.0
71.57313	1.3
71.57661	1.8
72.99194	1.7
73.02815	3.2
75.00737	1.5
79.95599	2.0
81.03321	1.7
83.01262	2.6
83.04876	2.0
85.02820	9.6
86.21836	1.3
87.00749	4.1
89.02312	16.4
95.04923	2.4
96.95879	28.3
97.02824	4.9
97.06455	4.8
98.95486	3.1
101.02306	14.3
109.02784	1.4
109.06444	4.3
111.08018	3.1
113.02299	7.2
119.03419	1.6
123.04428	1.4
125.02329	4.6
125.09602	5.7
132.08289	1.2
132.37387	1.5
137.09616	2.8
143.03427	3.0
151.11211	1.5
161.04456	2.2
163.11221	3.0
165.12718	2.4
169.12309	2.3
171.10155	25.8
179.05524	5.0
181.12256	1.6
183.13832	3.8
185.11774	3.8
191.14392	1.9
197.11751	16.9
207.10220	1.7
209.11749	15.0
211.07588	2.4
211.13327	16.5
221.06581	1.7
227.12813	3.9
229.14397	7.7
235.08211	4.6
245.19043	5.2
253.09268	2.2
263.20184	3.1
289.18082	20.0
291.19614	10.5
293.20840	1.4
305.08698	1.5
307.19101	27.3
308.19501	1.4
309.20703	40.1
310.21094	2.1
325.20157	25.9
325.23477	0.9
326.20596	2.4
327.21741	100.0
328.22034	7.0
397.13467	36.7
398.13776	2.6
415.14517	22.6
607.26044	2.9
617.40204	2.3
687.32025	2.8
705.33362	4.9
707.34686	5.2
725.35791	2.2
851.08759	1.5
917.47827	2.8
997.55212	2.4
1015.54340	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	1015.548
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	38.2
72.99162	4.0
73.02824	6.7
79.95615	2.6
80.02525	2.5
81.03336	5.0
83.01270	6.9
85.02827	13.5
87.00761	9.3
89.02315	31.2
93.03330	2.1
94.92413	2.3
95.01280	3.7
95.04897	2.4
96.95889	39.8
97.02833	16.5
97.06462	7.2
97.62878	2.0
99.00762	3.3
99.92465	3.4
101.02316	29.2
111.00681	2.5
111.08041	11.7
113.02328	19.7
115.46227	2.5
116.92751	36.1
116.97166	3.1
119.03407	11.8
121.02842	3.2
123.04427	4.1
123.08028	3.4
125.02312	12.7
125.09612	13.9
137.09615	5.6
141.01857	2.0
143.03387	6.2
143.04457	2.9
161.04460	5.7
163.11168	9.2
165.12776	8.8
169.12244	3.4
171.10193	11.6
179.05539	7.9
183.13705	2.9
185.11787	16.7
191.14357	9.8
193.12294	2.7
197.09995	2.8
197.11783	50.7
198.12006	2.5
199.13206	2.6
207.10213	5.0
209.11771	24.8
211.13344	12.5
217.15747	2.7
221.06607	3.1
223.13344	3.3
224.56479	2.1
225.11234	3.9
227.12833	13.0
235.08206	9.6
245.19095	21.1
247.20712	4.4
253.09399	4.4
263.20200	6.6
271.17078	2.4
273.18625	3.4
289.18097	66.5
290.18527	5.0
291.19647	56.1
292.19867	5.1
293.21353	16.6
306.07669	5.2
307.07901	2.4
307.19165	66.7
308.19363	4.2
309.20715	100.0
310.21072	6.3
341.23154	5.5
397.13483	41.7
415.14661	26.4
607.26276	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	1013.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
76.17551	0.6
76.62783	0.5
93.03326	0.9
107.01247	1.8
108.02036	1.1
109.02822	1.5
119.04919	0.7
121.02843	1.5
125.02350	0.8
136.34399	0.5
137.02307	0.7
148.01517	0.7
151.00266	7.2
152.01062	1.0
154.01369	1.2
155.01810	0.5
163.00252	2.0
169.01291	0.6
173.04568	0.8
173.84044	0.5
178.99768	4.3
191.05548	2.1
227.03387	1.2
232.51814	0.6
243.02960	5.6
254.02098	1.2
255.02951	16.8
256.03384	0.9
271.02457	35.1
272.02884	1.9
273.03732	0.7
283.02414	0.9
285.03967	1.5
293.04483	1.9
299.01813	1.2
300.02719	73.6
301.03473	27.0
302.03918	1.2
568.98865	0.6
577.15472	1.4
579.14136	1.3
609.14563	100.0
610.14844	8.0
611.14716	0.8
762.08594	0.6
769.67456	0.6
893.68542	0.6
1013.29077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5398
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01260	9.3
72.05469	5.3
80.95947	5.6
88.98661	12.1
89.02314	17.2
101.02316	8.0
113.02287	8.9
124.73974	6.4
130.94136	7.6
134.30769	5.5
146.65504	6.3
197.11737	20.2
204.43571	6.7
211.13324	9.4
229.53131	9.2
277.21652	29.5
285.38849	6.0
289.18039	9.1
291.19751	17.6
307.18942	8.9
309.20724	100.0
310.40668	6.1
397.13562	65.3
415.14487	12.7
462.75925	5.8
675.35583	8.5
699.96106	6.2
782.41351	7.0
872.67743	6.7
963.85846	7.5
1003.54602	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.83472	3.7
71.01240	7.8
71.57719	5.7
83.01255	4.8
89.02309	13.7
101.02303	5.6
111.07999	4.1
116.92808	3.6
119.03390	4.5
124.93347	3.3
147.68353	3.6
179.05531	5.4
197.11765	11.6
213.02168	4.2
247.97771	3.7
255.23364	3.9
277.21735	28.7
291.19611	16.1
309.17230	7.6
309.20697	100.0
310.20956	4.3
397.13550	45.3
406.33545	3.5
415.14578	17.0
675.36310	5.0
689.34186	7.0
975.40839	4.5
1003.53473	36.8
1004.55627	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	1001.5242
Annotation	Unknow
Peak:m/z	Relative Intensity
75.80213	14.7
89.02300	17.1
101.02310	31.4
154.51819	15.0
185.75310	15.4
277.21652	72.0
289.18042	67.6
307.19135	79.3
397.13336	100.0
415.14429	29.7
437.38467	17.7
453.41965	18.0
517.79077	15.7
1001.53961	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73128	1.9
71.01246	11.6
72.99180	0.9
73.02796	1.7
75.00713	0.5
79.95619	0.6
81.03336	0.9
85.02824	7.1
87.00746	2.7
87.59633	0.6
89.02309	8.9
95.01257	1.2
95.04917	1.0
96.95885	6.0
97.02830	2.3
97.06471	2.9
99.00745	0.9
101.02320	7.8
109.02805	0.7
109.97607	0.6
113.02341	3.6
116.92751	1.3
119.03368	2.4
125.02321	3.0
125.09595	0.6
127.11124	0.9
137.09610	1.6
141.01591	0.9
157.46753	0.6
161.04446	1.6
165.12793	1.1
171.10175	22.1
172.10562	0.9
177.12848	1.0
179.05524	2.8
183.13837	2.9
193.12209	0.6
195.13803	4.8
197.11681	0.6
201.11244	1.3
205.11978	0.8
209.11743	2.0
211.13321	14.6
212.13605	0.8
221.06592	1.7
221.11716	2.7
223.13292	2.2
228.13452	0.6
229.14406	9.2
235.08154	2.7
239.12849	2.2
247.20459	0.8
253.09216	1.0
275.20096	2.3
291.19577	4.2
293.21210	38.9
294.21512	2.1
309.20663	9.4
310.21085	0.7
327.21732	100.0
328.22092	5.0
383.44894	0.6
397.13513	17.9
398.13873	0.8
415.14517	17.1
519.87634	0.7
603.42670	4.0
691.35254	1.4
707.34924	7.9
725.35944	7.7
988.11383	0.8
1001.55994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	13.6
71.57414	4.7
71.57790	6.2
89.02309	10.7
96.95862	6.9
101.02315	6.4
104.00114	3.3
107.98573	3.7
108.91322	3.7
109.06477	4.0
113.02342	6.0
116.92749	22.2
117.92773	9.7
118.92526	4.1
125.02326	5.4
139.24725	3.1
161.04436	5.0
179.05539	7.5
235.08202	5.7
277.21664	49.6
278.22113	5.2
289.18079	100.0
290.18396	5.5
307.19131	8.7
341.23236	4.4
342.23471	5.1
379.12595	10.0
397.13428	46.9
398.13901	5.6
415.14514	10.5
545.17706	3.5
669.31097	10.3
687.31897	10.0
749.71631	4.3
947.53149	6.4
1001.52148	34.5
1002.52466	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	1001.5237
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93818	15.7
71.01254	11.8
72.12478	3.9
73.44134	3.2
74.80270	3.9
89.02316	15.9
96.95911	6.9
97.02842	5.2
99.92464	8.9
100.92474	5.3
101.02333	11.5
113.02343	6.2
116.92747	80.5
116.97112	5.1
117.92760	31.3
118.92529	17.7
118.96847	8.3
119.03385	6.4
120.17423	3.5
125.02344	5.3
136.67024	3.3
161.04424	5.0
171.10208	8.3
179.05669	4.3
181.58203	3.5
192.93376	4.3
209.11679	4.2
235.08234	4.6
277.21765	54.6
278.22031	14.0
289.18069	100.0
290.18475	6.4
307.19016	9.1
308.19028	4.2
327.22055	4.5
341.23239	24.0
342.23657	14.7
343.24219	6.5
379.12418	8.0
396.37045	3.5
397.13406	74.2
398.13873	7.9
415.14514	17.4
416.14722	3.7
465.84326	3.9
669.31482	8.6
675.36426	8.7
678.65021	4.4
687.31891	5.6
1001.52521	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.5
69.07076	0.7
71.01365	0.3
71.04983	0.3
73.02906	3.1
79.05489	1.8
81.03435	1.1
81.07037	2.7
81.07452	0.2
83.08614	0.4
85.02901	4.4
87.04490	0.3
91.03931	2.3
91.05483	1.4
93.07037	2.0
95.04971	0.5
95.08589	1.6
96.05148	0.2
97.02882	4.5
97.10174	0.2
98.03197	0.2
99.04458	0.6
99.07350	0.2
101.02374	1.3
105.07040	0.9
107.08595	1.1
109.02893	0.6
109.10162	0.7
117.07008	0.2
119.08623	0.5
121.10149	0.7
127.03865	1.0
131.08597	0.4
133.10104	0.5
135.11720	0.5
145.04927	0.3
145.10129	0.2
147.11713	0.4
149.13190	0.2
159.11722	0.2
185.04233	1.0
203.05330	0.6
208.79677	0.2
229.90305	0.3
243.08400	1.8
259.07962	0.3
261.22208	0.3
263.44525	0.2
266.78476	0.2
333.20374	1.4
335.25851	0.3
343.37451	0.2
347.09421	1.9
363.09143	0.4
365.10757	0.9
389.22961	0.4
405.13638	4.7
439.19464	0.5
453.21136	0.6
481.12000	0.2
519.29242	4.3
551.28284	2.2
594.26636	0.2
601.24976	0.2
615.26501	0.3
681.34503	5.5
713.33472	2.1
717.42651	0.2
829.51080	0.8
893.48383	0.3
991.55933	100.0
992.56250	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	989.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	3.4
69.07058	0.8
73.02919	2.4
77.98441	0.5
79.05470	2.4
81.03407	1.3
81.07059	2.0
85.02894	4.7
91.03972	1.6
91.05486	1.4
93.07052	1.8
95.08639	1.2
97.02891	4.2
98.20795	1.4
99.04470	0.6
101.02406	1.5
105.07051	1.0
107.08601	1.3
109.10172	0.6
117.07062	0.8
121.10187	0.6
127.03970	1.7
131.08533	0.9
133.10153	0.7
185.04269	1.0
201.03749	0.5
201.76944	0.5
243.08339	2.5
316.70224	0.5
331.18857	1.0
347.09680	2.1
365.10617	0.8
405.13705	5.5
448.27512	0.6
519.29279	4.4
549.26648	2.4
593.02209	0.6
681.34735	7.1
711.32239	1.4
779.27399	0.6
989.54401	100.0
990.54895	4.1
1011.48181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	2.8
69.07078	1.2
69.27178	8.6
70.06562	0.9
73.02896	0.6
75.41974	0.6
79.05493	2.4
81.03420	7.1
81.07058	1.6
83.04982	1.3
85.02896	3.6
85.06504	0.8
85.39838	0.6
91.05481	6.2
93.07045	2.7
94.06567	3.2
95.04977	2.7
95.08605	1.5
97.02886	3.4
97.06552	1.0
103.05453	1.5
105.07058	3.8
106.06577	0.8
107.04977	1.4
107.08565	1.3
108.08105	3.5
109.02872	4.0
109.06472	0.9
110.06070	0.8
111.04475	0.8
117.03409	1.3
117.06994	1.4
119.04938	2.3
120.08070	1.9
121.02973	1.1
121.06473	1.2
122.06033	10.2
122.09596	0.9
123.04452	0.7
124.07634	1.0
125.06067	0.7
127.03915	3.4
131.04971	1.0
131.08694	0.7
132.08116	0.9
133.06485	2.6
133.10106	1.0
134.06027	2.0
136.07594	6.0
137.05949	5.0
140.07054	2.5
143.05684	6.9
144.08078	1.1
145.02850	3.2
146.06036	3.0
146.09671	0.9
147.04428	3.5
148.07558	4.4
150.09204	0.9
151.03909	1.5
151.07495	0.9
152.07068	1.7
154.08684	1.3
158.09563	0.9
159.20779	0.8
160.07614	1.5
161.06018	4.0
162.09119	0.8
163.03929	1.3
163.07568	1.1
164.07114	3.0
166.08640	3.6
167.07056	12.6
168.07417	1.1
172.03976	1.0
174.05502	1.9
174.09164	1.7
175.03900	4.0
175.07579	1.0
177.05472	6.5
179.07066	1.7
181.05016	1.7
181.08672	1.0
182.09570	0.7
186.09200	0.8
191.06999	1.0
193.08679	2.4
198.09134	0.8
198.33893	0.8
199.08832	0.9
202.08578	1.0
204.06654	1.5
206.08206	0.8
207.06528	6.8
208.09785	1.0
209.08147	1.0
209.10811	1.2
210.11438	0.9
211.08597	1.6
211.12201	0.9
212.09383	1.3
213.10185	1.3
222.11559	2.4
223.08621	5.0
223.12355	2.8
224.09285	1.5
224.13219	1.9
225.10211	12.8
225.13893	1.6
226.11009	2.9
227.08287	1.1
227.11731	4.2
230.08084	1.0
232.09680	1.6
234.09088	0.8
234.11386	0.9
235.08554	4.2
235.12366	1.8
236.09457	3.1
236.13095	1.3
237.10222	10.9
237.13918	3.7
238.10968	7.5
239.11763	13.2
239.15372	1.0
240.12616	2.4
241.09773	1.1
241.13364	2.6
243.11401	1.3
248.09538	2.8
249.10191	10.0
249.14000	1.1
250.10968	11.7
251.08167	4.2
251.11784	34.8
252.08928	1.4
252.12601	6.2
253.09662	1.7
253.13351	10.9
254.14110	1.2
255.11452	0.9
257.12964	0.8
262.11032	1.8
263.08167	1.0
263.08795	1.5
263.11792	22.0
263.14404	1.4
264.09177	1.5
264.12653	4.3
265.09793	8.6
265.13428	35.6
266.10556	4.3
266.14072	4.8
267.11517	5.5
267.14728	6.0
268.12234	1.1
269.09357	1.1
269.12903	2.7
271.10965	0.7
275.11932	2.0
277.09836	4.8
277.13470	2.8
278.10403	4.9
279.11279	22.7
279.14413	0.8
280.11990	5.1
281.12885	8.0
283.10809	6.9
283.13821	1.2
284.11594	1.5
285.12381	3.2
287.05551	3.7
287.11597	1.0
288.06125	0.9
289.09738	0.8
289.13348	2.0
291.11322	7.1
292.11978	3.5
293.09653	0.8
293.12839	19.7
294.13803	3.8
295.10815	4.4
295.14511	5.7
296.11572	3.6
297.12332	8.8
298.13242	3.9
299.14001	5.9
301.12991	0.8
303.11383	2.2
305.12991	1.0
307.10809	2.7
307.14059	1.7
308.11539	1.0
309.12277	13.6
310.13058	3.9
311.13904	30.0
312.14725	2.4
313.12009	0.9
313.15503	2.6
315.11337	0.8
317.12610	1.2
318.13483	0.9
319.10992	3.6
319.14264	0.9
320.11804	1.2
321.12308	7.9
323.10330	1.4
323.13959	3.3
324.14764	1.5
325.11832	1.6
325.15540	1.6
326.12811	0.9
326.16431	0.7
328.14282	1.0
329.12701	1.4
330.16409	0.9
333.12662	0.8
335.13995	1.0
337.11902	4.4
337.15439	1.2
338.12662	1.7
339.10141	1.0
339.13580	8.1
341.14658	1.7
342.16165	1.0
343.17630	0.9
344.14014	2.5
344.17758	1.0
347.13809	1.5
348.14600	0.8
351.13409	4.2
352.14462	1.3
353.10751	1.0
353.14963	11.1
354.15848	1.3
355.16495	2.0
356.13968	1.7
357.14755	2.3
358.15485	2.2
358.19412	0.9
359.16632	1.0
363.13409	1.2
365.15045	0.9
367.12976	1.0
369.14667	9.2
370.15399	2.9
371.16083	19.8
372.17148	3.3
375.13455	1.3
379.12256	0.8
381.14636	2.3
382.15176	1.1
383.16132	2.1
386.18723	2.1
387.15704	1.4
388.16418	0.9
393.14478	1.2
395.15985	1.1
396.17191	1.2
400.16684	2.5
401.17532	1.4
402.18286	1.2
405.14389	1.2
407.16324	2.2
408.16766	1.0
410.18570	0.9
411.15656	2.1
412.16492	1.3
413.17056	6.3
414.18143	6.1
415.19159	0.9
416.19754	3.0
418.17322	1.4
419.16263	2.3
423.15625	1.4
426.17841	1.6
429.16043	1.1
430.17407	1.7
432.19498	4.7
435.15479	3.5
437.17068	5.6
439.19257	0.9
440.15613	1.5
441.16525	2.4
442.17792	4.1
443.18668	1.1
444.19247	1.1
447.15759	2.1
453.16562	6.1
454.17508	1.6
455.18155	13.5
456.19446	1.3
460.18823	4.1
461.17294	1.0
463.15222	2.4
464.15591	0.9
465.16614	4.9
473.19205	0.8
474.20273	7.8
478.17752	1.8
479.18207	2.8
480.20120	1.1
481.15982	7.2
482.16895	1.2
483.17630	10.5
490.19800	1.2
492.21274	8.9
494.22058	1.2
495.17749	2.6
496.18442	0.9
497.19162	5.7
502.19830	1.2
504.20834	1.0
513.18701	16.0
514.19604	2.8
515.12585	1.6
515.20270	31.9
516.21082	1.6
522.21185	0.9
534.22314	10.2
540.21399	5.8
542.22833	3.0
558.22321	4.7
560.24072	1.1
568.20898	6.6
570.22296	1.1
576.23651	3.6
582.22314	1.4
583.25208	1.0
586.21948	13.9
587.22351	1.2
588.23529	5.0
594.24695	1.3
600.23401	46.8
601.24097	11.4
602.25073	4.0
604.22980	11.9
606.24023	3.9
615.27777	1.0
618.24493	39.6
619.25287	24.0
620.25946	8.5
622.24249	2.4
624.25562	1.5
636.25525	100.0
637.26324	5.4
638.27203	2.0
641.26831	1.1
643.26971	0.9
649.26965	1.1
654.26794	2.6
655.27380	1.9
663.28027	1.2
675.30151	3.0
681.29132	2.3
691.27783	4.0
709.28632	15.4
723.30249	34.9
727.29663	4.1
741.31256	46.9
742.31702	1.2
745.30511	2.6
759.32611	5.0
777.33319	7.1
863.61102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	7.6
69.06717	2.0
69.07070	29.0
69.39187	12.5
71.04987	4.5
73.02921	2.6
79.05495	63.3
81.03409	7.9
81.07057	78.5
83.04978	5.8
83.08620	13.3
85.02923	11.6
85.06529	3.6
85.14018	1.1
88.57120	1.1
88.59435	1.1
91.03959	5.2
91.05482	52.6
92.61742	1.1
93.07043	70.7
95.04965	11.4
95.08608	57.5
96.69978	1.1
97.02884	10.8
97.06521	13.0
97.10156	11.5
98.21506	2.6
99.04491	2.3
99.08094	3.0
105.07027	41.5
107.04957	6.3
107.08595	48.8
109.02880	2.9
109.06525	8.1
109.10157	24.0
111.08087	5.6
115.05447	1.8
117.07027	17.5
119.08586	33.8
121.06528	3.1
121.10146	30.8
123.08079	3.5
123.11757	7.6
125.09634	11.6
127.03895	5.0
129.05482	2.2
129.07013	7.8
130.07747	2.6
130.12668	1.2
131.08568	25.6
133.10139	28.0
135.08058	3.9
135.11679	16.3
137.09593	2.7
137.13240	2.0
141.07011	2.2
143.08549	7.1
144.09286	1.3
145.04970	2.9
145.06454	1.7
145.10130	26.2
147.08069	2.9
147.11694	17.2
149.09612	11.9
149.13216	10.2
151.11137	2.8
155.08560	4.1
157.10138	6.3
159.11690	19.5
161.13237	7.2
163.06032	1.7
163.11212	7.3
163.14862	3.1
165.12732	2.8
167.10661	1.4
169.10106	3.9
171.10275	1.6
171.11674	5.1
173.04430	1.5
173.09589	1.5
173.13277	11.0
175.11151	2.2
175.14842	3.0
177.12799	3.3
179.14313	2.4
183.11694	3.0
185.13235	8.2
187.11053	1.6
187.14796	3.1
187.71986	1.4
189.11200	3.9
189.12721	1.8
189.96829	1.3
195.11818	2.4
195.13782	3.9
197.13206	3.7
199.14839	2.1
201.16364	2.4
203.14395	3.0
205.12341	1.2
211.14925	2.4
213.16525	1.7
217.16008	2.0
219.17509	2.8
224.58479	1.3
227.12785	12.8
229.14369	1.5
229.19467	3.3
239.17944	5.1
241.19524	2.6
243.21083	3.0
247.20522	1.6
255.15840	9.4
257.18961	16.5
259.20581	5.3
261.22128	12.3
267.15945	2.4
269.17474	21.8
269.20163	2.0
275.20068	45.4
293.21072	4.8
306.68848	1.1
309.20679	1.4
313.21725	1.6
317.24677	3.6
331.22571	6.9
333.24170	2.6
335.25812	100.0
336.26065	2.3
349.23743	45.9
351.25436	1.9
353.15939	1.2
367.24713	4.0
389.18030	1.6
417.89841	1.3
489.35675	3.4
505.35178	2.3
515.37402	12.1
529.38898	31.3
555.40436	1.6
569.41693	3.2
609.45148	71.4
610.44757	2.0
627.46234	14.6
628.46112	1.9
771.49963	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6044
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	8.4
69.07069	27.6
69.58754	8.2
71.04989	3.5
73.02905	3.1
77.03892	0.9
79.05494	60.0
79.18809	1.0
81.03419	8.3
81.07055	80.3
83.04990	9.1
83.08615	14.5
85.02895	12.1
85.06547	1.8
91.03951	4.5
91.04903	1.4
91.05479	49.2
93.07043	65.0
95.04979	11.6
95.08604	48.1
95.66148	0.9
97.02894	8.1
97.06516	13.3
97.10172	13.8
98.21514	1.0
99.04430	2.2
99.08095	3.6
102.08379	1.0
103.05453	1.7
104.63377	1.1
105.07029	39.2
107.04960	7.5
107.08592	48.1
109.02866	1.7
109.06506	4.5
109.10152	23.4
111.08081	5.4
113.09641	1.2
115.05468	2.1
117.07011	15.4
119.08579	29.3
121.06552	1.9
121.10149	23.1
123.08075	4.1
123.11687	5.7
125.09614	11.0
127.03944	5.2
128.06241	1.4
129.05478	1.2
129.06999	4.7
131.08566	22.7
133.06480	1.6
133.10132	22.6
135.08063	4.3
135.11693	18.1
137.09610	2.9
137.13226	1.6
139.11157	1.3
141.07014	1.5
143.08556	5.3
145.04984	2.5
145.10129	20.1
147.08003	1.3
147.11682	14.4
149.09630	12.5
149.13260	12.4
151.11247	1.9
155.08565	2.9
157.10126	4.9
159.07909	1.4
159.11671	14.8
161.09613	1.3
161.13263	8.2
163.06084	1.2
163.11211	7.8
163.14832	1.6
165.12857	1.4
169.10121	3.8
171.11716	4.8
173.04445	2.2
173.11864	2.0
173.13274	9.0
175.11214	1.4
175.14780	2.3
177.12721	2.7
179.14305	2.6
183.11707	3.1
185.09892	1.0
185.13275	3.4
187.11237	1.4
187.14809	4.8
189.11179	5.5
195.11772	1.6
195.13811	3.0
197.13286	2.4
199.14957	1.4
201.16350	2.1
213.14729	1.7
213.16553	1.5
219.13963	1.3
227.12749	18.2
229.14354	6.2
229.19530	2.3
239.17950	2.7
241.19458	1.6
243.21169	3.6
245.13867	1.4
247.20613	3.2
255.15929	4.7
257.19000	7.8
259.20578	3.7
261.22156	13.0
267.15842	1.7
269.17435	13.9
273.18851	1.1
275.20071	40.8
275.23074	2.0
277.21729	1.9
293.21112	3.1
317.24857	3.7
331.22720	4.2
333.24170	3.8
335.25803	100.0
336.26074	1.5
349.23706	40.9
350.24088	1.9
367.25000	2.2
389.18146	1.3
413.21652	2.5
431.31699	1.9
459.31647	1.3
487.33987	2.4
489.35809	4.2
497.36105	1.3
513.39398	2.6
515.37231	14.7
517.40485	2.2
529.38928	48.7
530.39276	2.7
535.41425	1.2
569.41748	2.4
609.45117	65.7
610.45496	3.4
626.87299	1.1
627.46252	15.7
673.42523	2.7
771.49335	1.4
987.51569	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	986.6048
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	13.2
69.06741	2.1
69.07073	27.4
71.04984	6.5
71.32217	2.6
73.02913	7.4
79.05020	2.0
79.05494	82.9
81.03406	10.3
81.07057	100.0
83.04977	11.7
83.08624	16.4
85.02908	28.0
85.06534	5.6
91.03958	14.0
91.05483	83.2
93.07046	98.2
93.07538	1.4
95.04978	20.4
95.08608	77.1
96.05137	1.7
97.02897	21.4
97.06530	13.4
97.10152	6.3
99.04436	4.2
99.08083	5.2
105.07032	77.2
107.04960	3.9
107.08592	61.6
109.06520	8.3
109.10162	28.1
111.04498	2.5
111.08098	5.4
113.06255	1.9
115.05461	4.5
117.07028	23.2
119.08578	56.4
121.06506	5.3
121.09323	3.7
121.10149	42.2
123.08063	8.0
123.11740	10.0
127.03909	12.8
128.06213	2.8
129.05464	5.9
129.06987	11.7
129.29411	1.9
131.08569	36.8
133.10133	49.7
133.78986	2.1
135.08017	4.4
135.11691	30.3
137.09673	4.5
141.06996	3.2
143.08591	9.9
145.04990	9.1
145.10127	27.5
147.11691	33.6
149.09615	10.2
149.13257	16.6
151.11160	4.7
155.08519	2.4
157.10088	11.6
159.11691	28.2
161.09613	2.6
161.13274	22.7
163.06010	4.7
163.11185	5.3
163.14816	5.6
167.08513	2.6
169.10107	4.0
171.11736	11.2
173.13246	14.6
175.11205	2.7
175.14828	5.5
177.12773	4.3
183.11819	4.1
185.13255	8.8
187.14804	6.8
195.13661	5.5
197.13298	3.8
199.14838	4.4
201.16588	2.7
205.12405	2.1
213.16321	4.1
215.17938	2.3
229.19469	2.7
239.18016	3.4
241.19566	15.2
243.21054	3.6
253.14401	3.0
254.14760	2.4
257.19031	9.1
259.20578	43.7
261.22104	14.3
269.17499	19.6
273.18542	2.6
275.20074	13.9
315.23297	2.6
333.24231	27.6
335.25809	88.9
337.27188	2.8
349.23822	10.7
515.37256	3.7
519.42151	3.7
529.31598	3.6
529.38922	48.3
541.38910	2.4
593.45453	9.7
609.45056	11.0
611.46747	40.8
627.45679	3.5
842.28363	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	986.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	9.7
69.07072	21.4
69.94970	6.8
70.12252	1.4
71.04988	4.5
73.02908	5.4
74.66324	1.3
77.00703	1.3
77.63183	1.2
79.05495	68.1
80.80192	1.1
81.03425	7.6
81.07057	84.1
83.04998	8.3
83.08633	13.0
85.02908	22.2
85.06533	4.0
91.03960	11.3
91.04911	2.3
91.05483	53.2
93.07047	72.1
95.04979	15.1
95.08607	60.6
97.02885	15.1
97.06553	9.4
97.10178	3.7
98.09664	1.8
98.21415	1.7
99.04445	3.6
99.08096	4.6
103.03917	2.1
103.05441	2.5
105.04540	1.2
105.07034	49.8
106.68983	1.3
107.04956	2.4
107.08601	37.7
109.02843	1.9
109.06515	6.2
109.09476	1.9
109.10162	21.2
111.04459	2.8
111.08061	4.1
115.05461	3.5
117.07014	19.1
117.26680	1.3
119.08585	38.6
121.06514	3.0
121.10142	31.2
123.08053	4.4
123.11687	8.1
125.09680	1.8
127.03920	8.3
127.04756	1.7
128.06239	2.9
129.05461	5.1
129.07025	7.6
131.08569	26.9
133.06401	1.7
133.10136	31.9
135.08057	2.8
135.11688	24.3
137.09610	2.6
137.13239	1.9
139.11189	2.5
142.07782	1.7
143.08559	7.4
145.04939	8.3
145.06490	1.6
145.10127	22.8
147.08096	1.5
147.11688	23.8
149.09634	6.5
149.13232	16.2
155.08546	2.4
156.09337	1.5
157.10173	7.6
159.11699	24.1
161.09648	1.7
161.13257	16.1
163.06041	3.8
163.11250	4.4
163.14803	4.3
165.12888	2.4
169.10136	2.7
171.11732	7.4
173.04454	2.0
173.13261	10.1
175.14749	6.4
177.12715	4.4
177.16449	1.6
177.94843	1.3
179.14250	1.6
183.11699	4.2
185.13275	6.4
187.14789	4.7
189.16422	1.4
195.13797	4.1
197.13229	3.0
199.14833	5.0
201.16391	3.1
213.16420	2.2
215.17953	1.6
225.11276	1.4
229.19548	2.4
231.21127	2.2
239.18021	2.7
241.19577	10.5
243.12242	1.9
243.21089	3.6
257.18967	10.2
259.20587	27.8
261.22192	11.4
269.17490	15.4
275.20099	14.0
277.21521	1.8
305.21408	1.6
315.23346	3.0
331.22647	2.1
333.24249	29.2
335.25812	100.0
336.26157	2.6
337.27295	2.7
349.23801	10.1
431.32062	1.5
437.16785	1.6
467.87143	1.4
519.41675	3.3
529.38898	53.8
541.38831	4.5
593.45300	8.8
609.45526	9.2
611.46716	43.5
719.48108	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	984.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	8.3
69.07071	27.7
72.05058	1.3
79.05491	36.9
81.03408	6.3
81.07058	44.3
83.04989	4.1
83.08630	10.6
85.02905	6.6
85.06527	2.4
91.03947	2.2
91.05476	24.9
93.06467	3.1
93.07041	40.3
95.04971	11.2
95.08607	30.1
97.02909	9.7
97.06526	4.1
97.10160	10.5
105.04556	1.8
105.07025	23.1
107.04967	4.2
107.08596	22.8
109.06509	5.3
109.10152	19.5
111.08073	3.4
117.07008	8.0
119.08581	18.2
121.06500	3.4
121.10143	12.2
123.04430	1.6
123.08086	3.2
123.11732	3.8
125.09585	9.0
127.03901	2.1
127.07571	2.3
129.07025	4.0
131.08537	10.7
133.06514	5.3
133.10133	10.6
134.14059	1.5
135.08041	5.3
135.11696	10.1
137.09607	3.1
143.08575	3.8
145.05154	1.6
145.06346	1.5
145.10136	6.9
147.08043	5.6
147.11710	5.6
149.09587	2.7
149.13249	3.1
157.10138	2.8
159.08058	2.1
159.11690	5.4
161.09650	2.1
161.13274	2.7
163.11299	2.5
163.14854	2.0
165.09122	1.6
171.11682	1.5
173.13255	3.5
175.11305	2.4
177.12822	1.8
185.13190	1.9
188.30399	1.6
189.11284	3.7
193.12280	2.4
223.13243	14.2
227.12773	4.7
243.21049	3.8
249.14824	4.6
261.22220	7.5
273.18451	16.7
283.32291	1.7
291.19543	100.0
317.24741	3.1
335.25806	64.0
335.29858	3.7
347.22269	3.1
365.23221	62.9
478.44974	1.9
545.38306	5.0
607.43561	4.2
625.44635	82.3
626.44006	2.1
768.92529	1.9
794.36115	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	7.6
69.07070	22.8
71.05003	1.3
73.02921	1.0
73.31386	0.6
79.05494	31.4
81.03413	4.6
81.07057	38.9
83.05010	3.3
83.08620	9.4
85.02901	3.3
85.06548	1.7
91.03959	2.1
91.05479	22.5
93.07044	35.0
95.01352	0.7
95.04974	9.4
95.08608	26.7
97.02897	9.2
97.06531	3.9
97.10172	10.4
98.21486	1.9
105.07028	14.0
105.07674	1.1
107.04945	5.0
107.08595	20.2
109.06528	2.8
109.10150	11.6
111.08092	2.5
115.05464	0.7
117.07032	7.7
119.04922	1.0
119.08578	13.9
121.06522	2.7
121.10137	12.9
123.08046	3.3
123.11709	2.6
125.09635	6.3
127.03947	1.1
129.07043	2.3
130.07767	0.8
130.25552	0.8
131.08568	9.6
133.06517	2.2
133.10129	7.3
134.07268	0.9
135.08093	1.8
135.11699	7.1
137.09657	2.4
141.06972	1.3
143.08600	3.1
145.06560	0.9
145.10123	7.7
147.08028	5.1
147.11688	5.5
149.09639	2.0
149.13289	4.3
151.11214	0.9
155.08574	0.8
157.10152	2.8
159.11687	5.0
161.09610	1.6
161.13278	2.4
163.06042	0.7
163.11263	1.7
163.14806	1.1
165.09149	1.2
169.10252	0.8
171.11752	2.0
173.13338	1.9
175.11255	2.3
175.14801	0.8
177.12856	1.1
177.16467	0.8
185.13229	0.7
187.14760	1.0
189.11241	2.8
190.45924	0.6
193.12386	0.9
195.13853	1.7
199.11044	0.6
205.12155	1.1
211.13210	0.8
223.13277	15.9
227.12845	2.6
243.21117	2.5
245.19038	1.2
249.14960	2.4
259.20422	0.9
261.22174	5.6
263.20227	0.7
273.18466	9.6
273.21234	0.9
291.19540	80.6
317.24918	1.9
335.25800	76.9
336.26364	0.7
347.22305	1.5
365.23239	44.2
366.23621	0.7
396.30713	0.7
508.62088	0.8
513.35669	1.2
527.37366	0.8
545.38287	5.1
567.39673	0.7
607.44006	3.5
625.44629	100.0
626.44904	2.4
643.45746	1.1
649.39557	0.7
689.43036	1.1
842.53949	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5882
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	7.6
69.07066	22.0
70.36246	0.9
70.73616	2.1
70.73982	1.6
71.04987	1.8
71.08640	1.3
73.02924	1.4
79.05487	31.7
81.03428	5.0
81.07053	40.8
83.04958	3.2
83.08614	9.2
85.02905	3.6
85.06506	0.8
89.06036	1.0
91.03963	2.7
91.05473	23.6
93.07037	31.5
93.07625	1.7
95.04971	10.1
95.08600	25.9
97.02877	10.4
97.06528	1.7
97.10165	11.0
99.08092	1.2
103.05492	1.0
105.07024	15.1
107.04944	7.1
107.08593	22.9
109.06513	3.2
109.10151	14.5
111.04412	1.0
111.08103	1.6
115.05480	1.4
117.07011	9.2
119.04956	1.0
119.08584	15.5
121.06519	2.7
121.10123	11.9
123.08092	4.3
123.11716	3.8
125.09634	7.3
127.03905	1.1
129.07011	3.1
131.08554	10.7
133.06467	3.7
133.10118	10.0
135.08063	3.5
135.11674	6.3
137.09610	3.2
143.08554	2.5
145.10101	8.0
147.08015	4.3
147.11722	5.3
149.09575	1.8
149.13289	4.9
157.10138	3.7
159.11682	4.4
161.09625	2.9
161.13246	2.2
162.10379	0.9
163.11214	1.2
165.09160	1.3
169.10139	1.2
169.23816	1.0
171.11674	1.8
173.13240	1.9
175.11266	1.1
175.14865	1.0
177.12766	1.3
183.11684	1.2
187.11223	1.0
187.14818	1.0
189.11197	3.9
193.12160	2.1
205.12245	1.8
223.13248	18.1
227.12837	4.9
243.21204	2.2
243.30551	0.9
249.15042	4.3
255.17242	1.1
261.22040	7.2
263.20340	1.0
273.18488	12.6
291.19525	100.0
292.19821	1.4
309.20685	1.7
317.24820	1.2
335.25781	62.4
345.88092	1.1
347.22217	1.7
365.23221	64.4
545.38409	5.5
551.40564	1.5
575.74017	1.0
597.19312	1.0
607.43317	2.7
625.44598	79.0
626.44574	1.6
643.45099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.8
69.07054	0.7
71.04986	1.1
71.60703	0.7
81.03417	5.7
82.06542	0.5
85.02914	2.5
87.06708	3.9
91.05470	1.4
94.06557	0.8
94.17941	0.4
95.04970	0.7
97.02888	4.0
99.04462	0.7
107.04912	0.6
108.04485	2.5
108.08117	0.6
109.02892	5.3
110.69908	0.5
111.04436	1.2
113.04605	1.0
119.04938	1.9
119.48024	0.4
120.05234	0.5
121.02863	0.5
122.06042	1.7
123.04459	0.6
124.07584	0.5
124.81947	0.5
126.03011	0.6
127.03929	3.7
136.07547	2.2
137.02338	0.9
137.05975	1.0
138.05524	0.7
140.07039	0.8
141.04045	2.4
142.04872	1.8
143.05643	100.0
146.06012	2.0
147.04402	1.8
148.07549	1.2
150.05521	0.8
151.03984	0.8
152.07063	0.5
155.05669	1.3
162.05443	0.6
164.07034	1.6
167.07011	1.0
168.06543	1.2
174.05534	1.6
175.03918	3.2
176.04274	1.1
176.07159	0.6
177.05531	1.0
181.07507	0.5
185.06726	0.9
192.06642	0.6
197.10785	1.3
199.08652	2.8
201.10179	1.1
204.06598	0.7
206.08440	1.1
207.06528	4.5
208.06963	2.1
208.09653	0.5
209.10641	0.6
210.09224	0.9
211.08636	10.1
211.12262	2.4
212.09325	3.9
213.10204	7.6
214.10985	3.0
215.08226	1.5
215.11858	1.4
221.10732	1.3
222.09262	1.0
223.08719	2.0
223.12294	0.8
224.09116	1.0
224.10965	1.4
225.06647	1.0
225.10210	13.3
226.08958	0.6
226.10718	2.2
227.08180	8.1
227.11726	6.1
228.08917	0.7
228.12521	0.6
229.09750	3.4
229.13339	0.7
236.09380	0.6
237.10199	2.3
238.08759	0.6
238.11026	0.8
239.08159	3.1
239.11778	15.1
240.08839	3.1
240.12538	1.6
240.29335	0.5
241.09724	10.1
241.13293	4.5
242.10532	3.3
243.11273	3.9
249.10236	1.5
250.08788	1.0
250.11101	1.0
251.08144	2.9
251.11760	2.5
252.09033	3.2
253.05956	0.6
253.06937	0.9
253.09724	13.1
253.13391	0.9
254.10429	4.6
255.07532	0.9
255.11272	11.6
256.09735	0.5
256.12073	2.0
257.09134	0.5
257.12988	1.1
259.10855	1.0
259.14462	1.7
265.09705	2.2
266.10495	1.7
267.07791	2.5
267.11276	24.3
268.08609	1.4
268.12030	2.6
269.09305	5.2
269.12875	10.9
270.10110	0.5
270.13510	0.7
271.10834	1.1
271.14581	0.5
273.12323	1.5
274.13324	0.6
277.09863	1.3
278.10568	0.6
279.08029	0.5
279.11258	2.7
280.09094	1.1
281.09247	6.5
281.12817	2.1
282.09961	2.4
283.10812	5.2
284.11548	1.0
285.09610	0.6
285.12320	3.8
287.05542	1.8
287.10281	3.5
287.13992	2.1
291.11237	0.8
293.09238	3.1
293.12659	0.7
294.09824	0.8
295.10779	26.1
296.11609	2.3
297.12335	15.6
299.05521	1.8
299.10263	1.6
299.13925	1.5
300.11325	0.9
301.11826	3.1
302.12753	0.7
303.04977	1.9
303.13589	0.8
304.05206	0.9
305.15210	0.9
307.10754	1.4
307.14465	0.7
307.66156	0.6
309.12396	0.9
311.10291	1.6
313.11810	24.5
314.12393	1.9
315.13406	9.2
321.08676	1.1
323.10287	12.0
323.14023	0.8
325.11819	3.2
327.13440	1.8
333.12573	0.8
337.11923	0.5
339.09863	1.7
339.13638	0.7
340.10599	0.9
341.11313	16.7
341.14282	0.8
342.12009	2.8
343.12906	16.1
349.11835	1.2
351.10040	0.6
353.11136	1.1
355.12854	7.3
357.14496	1.7
359.12628	1.3
365.15198	0.9
367.12778	0.8
369.11502	1.1
370.12042	0.6
371.12503	1.4
372.13623	0.5
373.13919	9.4
374.14432	0.7
375.15753	0.6
377.15121	0.8
379.13666	0.6
381.14532	0.7
383.12158	4.0
383.16718	0.6
385.13937	2.7
393.14624	1.2
395.11615	0.6
395.16104	1.5
396.13614	0.5
397.14044	1.1
399.15366	0.9
401.12881	0.7
405.14575	0.9
409.13879	0.5
411.15588	2.1
413.12970	0.8
415.14832	2.9
421.14072	3.3
423.15582	5.6
425.13336	0.8
427.15546	0.7
429.16425	0.9
431.82236	0.5
439.14981	9.2
441.16577	6.8
443.14481	1.4
449.13559	4.1
451.14966	1.5
457.16092	10.9
457.22452	0.6
459.17566	1.4
467.14517	20.3
468.15231	1.6
469.16068	7.0
481.15741	3.1
483.18161	1.0
485.15546	33.5
486.16086	2.1
487.17291	4.7
499.17084	11.5
500.17416	0.7
501.18564	1.4
517.18213	26.4
518.19202	2.3
519.19397	0.9
591.18317	1.4
601.22888	1.0
609.19440	1.6
627.20416	89.7
628.20782	4.1
659.23041	48.7
660.22888	2.1
671.20972	1.3
687.25891	0.7
707.26917	0.8
725.27911	0.9
727.30133	2.0
735.26813	2.8
743.28522	0.7
753.27716	8.2
767.28949	1.0
771.28839	7.7
785.30048	2.5
789.29871	7.7
803.30798	1.4
807.30676	1.4
895.32227	0.7
913.33868	2.9
931.34674	11.6
931.52850	1.0
945.36835	0.8
949.35437	1.6
963.36377	1.6
981.37085	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	2.1
69.07066	10.2
71.05032	1.4
71.60637	1.7
72.58902	1.1
77.03934	2.0
79.05493	40.2
81.03428	1.4
81.07060	53.1
83.04990	2.9
83.08623	7.3
85.02907	11.3
85.06538	2.5
91.03955	4.2
91.05478	29.1
93.07047	46.7
95.04967	7.0
95.08608	35.6
97.02895	6.1
97.06520	4.1
97.10174	2.9
99.08089	2.3
105.07032	25.2
107.08596	24.8
109.06519	2.7
109.10170	17.8
111.08105	1.6
115.05444	1.9
117.07018	12.1
119.08577	22.4
121.10149	23.7
123.08096	1.5
123.11724	4.9
125.09653	1.4
127.03894	2.3
128.06227	1.4
129.07033	3.7
131.08574	15.3
133.10143	17.2
135.08017	1.2
135.11711	14.6
139.11185	1.5
141.07054	1.1
143.08546	3.6
144.24376	1.0
145.04924	2.6
145.10136	17.2
147.11714	12.1
149.13277	8.5
155.08517	2.1
157.10109	4.3
159.11684	14.7
161.13297	9.6
163.06096	1.2
163.11150	1.7
163.14864	2.7
171.11707	2.6
173.13274	7.4
175.14828	3.6
177.12766	1.4
177.16426	1.6
185.13261	4.6
187.14842	6.0
195.11655	1.6
199.14749	2.5
201.16469	1.7
205.15985	2.5
221.18932	1.1
231.21027	1.4
241.19456	8.4
243.20992	2.0
252.12189	1.1
257.18991	2.8
259.20544	16.4
261.22290	7.5
277.21616	16.8
293.21054	2.1
301.21652	1.5
315.23227	1.8
317.24991	1.9
333.24271	15.3
335.25800	100.0
351.25302	31.4
451.89865	1.1
489.35168	1.9
529.38971	3.7
532.04987	1.2
571.43677	1.9
593.45270	2.5
606.07446	1.5
611.46722	48.6
629.47217	1.2
672.66479	1.2
755.51447	1.1
912.05359	1.3
970.56647	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	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	26.2
70.24467	15.0
73.02927	4.8
74.60961	3.2
79.05498	72.4
81.03436	3.9
81.07059	79.3
83.04979	3.3
83.08627	8.3
85.02903	19.7
85.06526	4.5
89.85654	3.9
91.03974	8.3
91.05483	76.3
93.07043	100.0
95.04971	10.7
95.08611	59.7
97.02904	10.0
97.06528	4.3
97.10165	4.1
105.07032	80.6
106.47130	3.6
107.08598	47.9
109.06559	3.6
109.10159	22.9
115.05428	4.2
117.07032	27.5
119.08592	66.0
121.10148	36.5
123.11730	6.9
127.03940	6.6
128.06250	3.7
129.06999	11.8
131.08569	34.3
133.10144	52.7
135.08081	3.9
135.11678	25.3
143.08571	16.1
145.04985	6.0
145.10109	31.0
147.11691	46.4
149.09662	5.8
149.13263	17.3
157.10159	14.4
159.11717	30.3
161.13251	21.3
163.05992	7.8
163.14842	8.7
169.10164	6.3
171.11697	13.3
173.11963	4.1
173.13194	18.3
175.14844	10.4
176.24174	3.7
183.11649	6.2
185.13278	9.5
189.12672	4.4
199.14853	8.7
213.16400	5.2
231.21111	6.7
241.19499	28.6
257.18906	7.0
259.20593	74.0
261.22189	15.7
315.23236	6.4
333.24243	58.7
335.25806	74.1
337.27646	7.1
343.22519	4.5
519.42096	7.9
593.45862	17.7
611.46680	82.6
701.46674	4.2
744.40698	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	968.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	64.5
69.03431	8.9
69.07063	27.1
69.94045	4.0
69.94456	3.3
71.04984	8.7
73.02907	3.7
79.05489	60.7
81.03414	87.1
81.07055	67.6
81.38564	1.5
83.04991	11.9
83.08614	28.2
85.02908	12.8
85.06536	5.2
91.03946	4.1
91.05476	57.8
93.07040	52.1
95.04962	38.0
95.08605	30.5
96.31697	1.4
97.02882	11.2
97.06542	14.3
97.10165	22.1
99.08106	2.2
105.07028	45.6
107.04948	14.0
107.08587	38.2
109.02897	2.8
109.06520	9.8
109.10146	18.5
111.04442	2.8
111.08060	9.2
115.05489	3.8
117.07018	18.7
119.04955	2.7
119.08572	35.0
121.06493	10.7
121.10141	19.4
123.04413	3.3
123.08075	6.9
123.11680	3.8
125.09621	16.2
127.03905	4.4
128.06218	3.8
129.06999	17.3
131.04898	2.2
131.08566	29.2
133.06502	6.4
133.10114	24.8
135.08051	9.1
135.11684	12.3
137.06035	1.6
137.09628	4.8
141.06989	4.5
142.07776	4.4
143.08513	7.9
145.06488	5.8
145.10127	16.4
147.04433	2.5
147.07985	7.5
147.11667	20.1
149.09619	14.7
149.13242	6.3
151.11140	3.6
153.09114	3.1
155.08524	5.3
157.06503	2.5
157.10150	14.2
159.08017	2.3
159.11702	12.1
161.09627	3.6
161.13254	3.6
163.11169	8.3
165.12779	3.2
167.06870	1.7
167.08415	1.9
169.10121	7.0
171.08020	2.0
171.11665	7.0
173.04376	1.9
173.09616	4.7
173.11835	2.6
173.13258	6.0
175.11182	12.1
177.12762	4.3
179.14410	2.0
181.10120	2.1
181.12270	2.4
183.11751	3.3
185.09610	2.5
185.13271	1.9
187.11189	2.5
187.14815	2.9
189.11227	12.2
189.12769	2.6
191.10651	2.5
193.12227	23.2
195.13797	3.7
197.09622	1.8
197.13232	4.4
199.14845	2.7
201.12776	1.8
203.14221	2.4
205.12273	2.3
207.06494	2.5
211.14938	2.4
219.13754	2.2
221.13283	2.0
223.13127	2.7
227.12732	17.8
229.14365	6.1
233.15363	3.5
245.13611	2.3
249.14830	4.2
255.15941	7.7
257.19009	4.8
267.15900	87.1
268.16296	1.9
269.17447	18.3
273.18420	4.9
275.20059	27.2
291.19485	6.2
293.21106	2.9
297.21884	2.0
299.20059	2.6
301.14334	4.2
309.16772	1.9
315.23227	1.9
349.23703	28.0
349.27612	2.5
350.37463	1.7
351.23517	1.9
365.23273	2.0
367.24756	3.5
369.24271	3.9
373.23746	2.7
375.18268	1.7
387.25095	2.6
403.24686	2.2
405.26184	2.0
406.83807	1.6
412.84158	2.2
419.24188	2.2
421.25824	6.8
431.29007	2.2
435.27509	3.1
437.25052	3.5
443.28098	10.1
447.27417	30.0
449.30322	3.6
459.27209	4.5
461.28976	90.0
467.31647	4.7
477.28214	4.1
485.32809	1.9
493.31906	12.1
501.31900	2.1
503.30411	1.8
519.32813	2.5
523.34039	4.3
541.35260	100.0
542.35321	3.7
545.30927	1.9
559.36292	38.2
569.30695	2.3
573.37830	2.3
583.36731	2.4
587.32318	2.4
591.37805	6.0
605.33527	3.0
667.37964	2.7
685.39014	3.5
703.40564	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	967.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	59.0
69.03414	1.9
69.07064	8.0
69.22476	1.7
71.04993	3.6
79.05495	38.3
81.03416	3.4
81.07055	38.5
83.04940	2.1
83.08635	3.6
85.06557	11.0
91.05477	32.2
93.07046	31.0
95.04965	51.2
95.08603	21.9
97.06528	5.4
98.20743	5.2
105.07032	21.9
107.04960	12.1
107.08585	22.3
109.06508	56.0
109.10162	6.8
111.08075	3.2
113.06002	25.8
115.05431	2.6
117.06991	11.1
119.08575	12.3
121.06490	4.4
121.10175	8.1
123.08097	4.8
123.11714	2.0
128.06171	3.1
129.07008	4.8
131.08577	17.6
133.06546	3.1
133.10149	10.9
135.08052	47.0
135.09000	3.6
135.11697	10.3
140.57452	2.4
143.08569	14.2
145.10118	11.3
147.08060	8.1
147.11673	4.4
149.09628	4.9
149.13391	2.5
157.10176	7.6
159.08148	2.4
159.11700	8.1
161.09627	8.4
163.11224	2.6
169.10062	3.1
171.11739	3.0
173.13329	3.5
177.12663	2.5
183.11794	2.5
185.13206	2.4
187.11224	1.9
199.14868	2.8
201.12950	1.9
217.15887	11.5
233.15517	2.5
273.18484	36.0
291.19537	100.0
335.25729	39.1
347.22043	9.3
365.23257	22.2
567.40314	4.6
607.43799	16.6
625.44611	98.0
626.44598	4.2
784.33051	2.5
914.25226	2.2
1000.84119	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	967.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	63.0
69.03427	2.4
69.07061	11.3
69.31316	13.4
69.31721	2.1
69.96590	1.5
71.04975	1.9
78.20154	1.4
79.05492	37.0
81.03416	3.4
81.07058	46.2
83.04958	3.2
83.08617	6.3
85.02948	2.1
85.06541	12.4
91.05484	29.8
93.07043	34.0
95.04969	57.3
95.08597	31.1
97.06520	4.8
97.10133	1.8
97.39452	1.5
98.21539	3.0
105.07024	20.7
107.04955	10.3
107.08598	22.6
109.06516	54.6
109.07264	3.2
109.10149	10.5
111.08062	3.4
113.05997	27.0
115.05491	1.9
117.07022	11.6
119.08577	12.6
121.06519	3.4
121.10143	10.2
123.08052	3.7
123.11707	1.9
129.06993	6.9
131.04993	1.4
131.08572	18.0
133.06511	3.6
133.10152	10.2
135.08052	38.2
135.11674	11.4
135.16008	1.4
137.09622	2.2
143.08546	8.1
145.06563	1.8
145.10104	11.8
147.08037	5.4
147.11665	5.3
149.09607	5.0
149.13287	3.4
155.08632	1.7
157.10141	5.8
159.08058	2.9
159.11688	6.9
161.09593	9.1
163.11195	4.0
169.10115	1.7
171.11731	2.5
173.13275	4.1
177.12823	2.4
185.13344	2.1
199.14835	4.5
201.12814	2.0
217.15903	9.7
227.17854	1.9
233.15555	1.9
255.17409	2.2
261.22028	1.6
267.70966	1.5
273.18466	30.6
275.75381	1.6
291.19540	100.0
309.20560	3.3
335.25784	90.0
347.22275	10.4
361.87155	1.7
365.23160	20.2
384.90878	2.0
420.30826	1.5
539.82178	1.5
567.40289	3.9
568.12732	1.9
574.17438	1.8
607.43573	19.4
625.44647	98.8
626.44580	6.3
829.23566	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	967.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.3
68.99785	0.4
69.03428	1.2
71.04975	0.2
71.10889	0.2
71.11230	0.2
73.04044	0.1
77.03943	0.1
79.05495	0.3
81.03422	1.0
81.07068	0.3
83.04993	0.2
85.02922	0.9
87.00808	0.2
87.06712	3.9
89.03927	0.2
91.05481	4.9
93.07050	0.4
95.04964	0.5
95.08601	0.2
97.02881	0.9
97.06516	0.1
99.04446	0.4
103.05482	0.3
105.03396	0.1
105.07034	0.4
107.04961	0.3
107.08606	0.7
109.02881	1.0
109.06464	0.2
109.10112	0.2
111.06729	0.1
113.04613	0.2
115.05488	0.2
115.06287	0.1
117.03335	0.2
117.07051	0.1
119.04942	7.0
119.08571	0.2
121.02867	0.2
121.06489	0.2
121.10152	0.3
122.05960	0.1
123.04408	0.3
125.04595	0.1
126.03003	0.3
127.03905	1.6
128.06177	0.1
129.01828	0.4
129.03362	0.1
129.06935	0.1
131.04871	0.2
131.08553	0.2
132.02086	0.3
133.06458	0.2
133.10158	0.2
135.04388	0.1
135.08035	0.3
136.07582	0.2
137.05931	0.5
140.07005	0.1
141.04077	1.1
142.04872	0.4
143.05641	100.0
144.06094	0.5
144.12064	0.1
145.02864	0.5
145.04977	0.2
147.04411	5.6
147.11691	0.2
149.02359	0.2
149.05989	0.3
149.09615	0.3
150.99049	0.1
151.03888	0.2
151.07541	0.1
155.05725	0.1
157.03969	0.5
161.06018	0.3
163.03947	0.3
163.07503	0.2
164.04665	0.2
167.05650	0.5
167.07053	1.4
171.02963	0.1
173.13203	0.2
174.03239	0.1
175.03903	11.0
176.04362	0.2
177.05473	0.8
179.07021	0.7
181.04935	0.3
185.06807	0.7
191.14290	0.4
193.08681	0.3
197.06042	0.1
201.05412	0.1
203.07014	0.2
205.04869	0.1
207.06526	18.3
208.06856	0.2
208.09811	0.2
209.06664	0.2
209.15356	0.4
213.03877	0.2
213.05693	0.1
217.05029	0.2
217.08588	0.2
219.06522	0.3
230.05763	0.1
237.10117	0.2
245.08133	0.2
249.07506	0.3
251.05585	0.6
263.09225	0.3
265.09552	0.2
269.08246	0.2
271.06003	0.3
272.06607	0.1
273.07596	0.2
279.11292	0.2
280.11441	0.1
287.05444	1.2
287.08972	0.3
291.08719	0.7
297.07635	0.4
303.04990	0.4
304.05396	0.2
305.10938	2.6
315.08627	0.9
325.11359	0.1
339.06891	0.2
349.11374	0.3
351.10461	0.1
369.11734	0.4
373.09903	3.0
373.14383	0.2
387.14148	0.1
391.10983	0.4
402.00568	0.1
419.09576	0.2
433.11990	2.3
437.10345	0.2
481.11609	0.1
499.13010	0.7
517.14056	3.0
527.11328	0.1
535.09021	0.1
535.15350	1.2
545.12628	0.2
563.13898	0.7
581.14825	0.9
599.16071	4.6
653.23065	0.1
702.86047	0.1
705.18378	0.3
723.19830	1.3
741.20935	6.1
742.20831	0.2
759.21411	0.2
761.30444	0.7
771.42633	0.1
784.95935	0.1
790.79468	0.2
807.60718	0.1
947.06445	0.1
949.34552	0.2
967.36475	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	964.62
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	38.2
69.03416	8.7
69.07073	18.5
71.08644	21.2
71.10469	8.4
73.40149	2.9
79.05486	26.1
81.03415	9.4
81.07056	52.5
83.04990	7.3
83.08608	16.0
84.50819	2.9
85.02905	11.5
85.10161	9.7
91.03941	3.7
91.05482	23.2
91.37232	3.0
93.07045	32.4
95.04955	3.9
95.08607	31.2
97.02869	5.4
97.06516	10.3
97.10169	7.5
97.96452	2.9
99.08067	4.0
105.07024	16.3
107.04936	5.7
107.08584	20.1
109.06513	3.9
109.10145	12.4
111.08074	3.4
117.07001	9.4
119.08568	9.8
121.10143	11.2
123.11710	8.6
125.09667	3.4
127.03932	5.6
131.08557	11.9
133.10115	8.6
135.11668	12.8
137.09698	4.8
145.10136	10.3
147.11694	5.7
149.09593	8.9
149.13235	10.7
159.11691	5.9
161.13126	2.7
162.02574	3.5
163.11176	4.0
171.68935	2.7
195.13686	3.0
227.12794	6.7
239.23619	3.2
255.15935	12.6
257.19073	7.9
257.24649	3.8
269.17477	34.0
275.20078	24.1
277.06503	2.8
285.15048	3.8
313.27353	87.8
323.44354	3.0
331.22586	3.4
349.23773	22.3
367.24658	3.8
432.46109	3.3
493.38968	16.3
507.40430	100.0
507.47900	5.0
508.40671	6.5
587.46625	31.9
605.47528	12.8
873.04834	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	965.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.6
68.99783	0.2
69.03432	0.7
70.81479	0.1
71.05000	0.1
73.02921	0.1
79.05499	0.2
81.03417	0.8
81.07058	0.1
83.02456	0.1
83.04986	0.1
85.02911	0.3
85.06535	0.2
86.03537	0.1
87.06714	3.5
89.03924	0.2
91.05478	3.9
92.05801	0.1
93.07035	0.2
94.75706	0.1
95.04973	0.3
95.08601	1.1
97.02882	0.5
97.06565	0.1
98.03568	0.1
99.04436	0.2
100.39210	0.1
101.03489	0.1
103.05452	0.2
103.08907	0.1
105.03368	0.1
105.07056	0.5
107.04944	0.1
107.08589	0.2
109.02882	1.0
109.06503	0.1
111.06680	0.1
113.04589	0.3
115.05487	0.1
117.03354	0.1
119.04943	5.5
119.08562	0.6
120.05322	0.1
121.06509	0.2
121.10168	0.2
123.04437	0.2
123.08050	0.4
125.04598	0.2
126.02987	0.2
127.03917	1.3
129.01834	0.2
129.03369	0.1
131.04921	0.1
132.02104	0.2
133.06468	0.2
133.10114	0.3
135.04330	0.1
136.05252	0.1
137.05959	0.3
141.01820	0.1
141.04062	1.1
142.04865	0.4
143.05638	100.0
144.06104	0.5
145.02840	0.3
145.04930	0.1
145.06404	0.1
147.04408	4.9
147.08012	0.2
147.11690	0.2
149.02307	0.1
149.09627	0.3
151.04041	0.1
151.07539	0.3
153.05484	0.1
155.08565	0.1
156.09326	0.2
157.03932	0.4
157.06512	0.1
159.08066	0.3
161.05974	0.3
161.13226	0.3
162.09102	0.1
163.03918	0.1
164.04646	0.2
165.12912	0.1
167.05646	0.4
167.07037	0.4
171.11638	0.1
174.10388	0.3
175.03903	9.1
176.04399	0.2
177.05511	0.4
179.07050	0.5
185.06793	0.7
189.05421	0.1
189.12752	1.2
191.06981	0.1
193.08658	0.1
195.08867	0.2
197.05835	0.1
205.04878	0.1
207.06522	15.3
207.13745	0.2
208.06880	0.3
208.09741	0.2
209.06619	0.2
211.07570	0.1
213.03882	0.2
219.06538	0.3
221.08101	0.1
231.04842	0.1
233.04298	0.1
233.06650	0.1
235.06133	0.1
241.05066	0.1
243.11240	0.1
245.08093	0.3
249.07524	0.2
251.05473	0.5
251.07788	0.2
251.11623	0.1
261.07535	0.1
263.09119	0.3
269.08578	0.2
271.06067	0.1
271.09888	0.1
273.07526	0.1
279.11530	0.1
283.05820	0.1
287.05579	0.2
287.09351	0.2
291.08652	1.3
297.07648	0.3
300.06476	0.1
305.10898	2.9
315.08646	1.2
317.10172	0.1
331.17471	0.2
333.09576	0.2
349.11276	0.3
349.18713	0.5
357.08356	0.2
373.09845	3.1
391.10950	1.0
419.09787	0.1
433.11996	2.5
437.10449	0.2
455.11945	0.1
459.87457	0.1
481.11542	0.2
497.13126	0.1
499.13184	1.0
517.14117	3.8
518.14502	0.1
527.12122	0.2
535.15265	1.2
545.12408	0.2
553.16296	0.7
563.14105	0.6
581.14874	1.1
599.16058	3.1
600.16150	0.1
617.16705	0.2
702.30133	0.1
705.18176	0.3
723.08600	0.1
723.19830	1.8
741.20929	5.4
742.21228	0.2
759.21765	2.8
947.33173	0.5
965.18939	0.1
965.35175	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04801	2.4
67.05180	4.7
67.05500	20.6
69.03420	6.2
69.06716	2.2
69.07068	24.6
70.03124	1.2
71.04983	1.4
71.08630	16.0
71.76551	1.2
73.02894	1.5
79.05503	14.9
81.03399	3.8
81.07058	19.4
83.04981	2.0
83.08613	11.9
85.02898	5.7
85.10183	10.4
91.03956	2.5
91.05475	12.8
91.41229	1.2
93.07035	14.3
95.04969	6.5
95.08601	18.0
97.02882	12.5
97.06519	2.9
97.10173	13.9
105.07024	9.1
107.04933	5.2
107.08598	8.6
109.06488	1.8
109.10156	13.1
111.08037	2.6
113.42937	1.3
117.07008	5.4
119.08579	6.6
121.10166	3.3
123.08106	2.9
123.11684	3.3
125.09653	7.1
127.03947	1.6
129.06989	2.3
131.08533	7.5
133.06496	3.2
133.10071	3.5
135.08041	2.7
135.11659	2.8
137.09641	1.8
143.08586	2.0
145.10138	4.2
147.08058	4.9
149.13210	1.3
157.10139	3.7
159.11655	2.1
162.10359	2.9
165.09129	1.4
171.11765	1.7
173.13258	2.2
189.11212	3.7
205.12112	2.1
217.33473	1.2
223.13261	13.5
227.12814	4.3
234.32121	1.3
249.14813	2.5
257.24713	1.5
267.16110	1.4
273.18567	11.4
291.19531	83.0
313.27362	69.2
347.22079	1.6
365.23227	59.5
366.23636	1.8
401.42981	1.5
498.05389	1.4
523.39777	5.8
585.44952	2.6
603.46173	100.0
604.46259	3.1
852.12653	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5702
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.9
69.03434	2.8
70.74538	1.9
73.02921	2.3
76.65122	0.6
79.05492	2.0
81.03426	1.6
81.07057	2.5
85.02892	5.1
91.03964	3.1
91.05490	1.3
93.07041	2.1
95.08638	2.1
97.02887	5.4
99.04465	0.7
101.02406	1.7
105.07038	0.8
109.02906	0.9
109.10203	1.0
119.08627	0.6
121.10196	0.9
126.66553	0.7
127.03927	0.9
134.02106	0.6
140.14108	0.6
203.05421	0.9
243.08493	1.6
335.25916	1.0
347.09888	1.2
379.61057	0.7
405.13623	4.9
519.29352	5.2
539.89600	0.6
608.95569	0.7
681.34436	8.9
897.00092	0.7
959.56976	100.0
960.56842	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	962.287
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	0.4
68.99788	2.1
69.03425	0.9
70.06593	100.0
71.59608	0.4
71.59972	0.5
79.05502	1.5
81.03426	1.2
81.07059	0.8
82.35147	0.4
89.03922	1.5
89.42001	0.4
91.05489	1.6
93.03404	1.0
95.04981	1.9
103.05485	1.7
103.65443	0.4
104.98015	0.3
105.03384	0.4
105.07001	0.8
107.04952	3.8
109.06543	1.6
111.04485	1.3
115.05505	0.5
117.03353	1.3
119.04964	1.8
121.06551	0.8
123.04429	12.4
127.03944	2.5
131.04929	1.6
135.04416	41.1
137.02347	0.8
137.05971	8.3
137.06929	0.6
139.03903	5.4
139.04747	0.5
147.04407	3.2
149.06001	1.5
151.03891	2.4
153.05397	2.3
159.04393	2.6
161.06039	1.8
163.03911	41.7
164.04582	1.2
165.05479	20.6
167.03276	0.4
173.06055	0.8
175.03937	1.7
176.07095	0.8
177.05461	5.0
177.06589	0.4
179.03433	0.8
179.08574	0.5
181.06477	0.6
185.06114	0.5
187.03918	6.9
187.07594	0.6
188.07143	0.4
189.05530	1.8
191.03481	1.1
193.04974	0.4
197.06032	0.8
201.05544	1.1
203.03511	1.2
203.07095	0.5
205.04974	3.4
207.06432	0.9
207.08218	0.5
208.93056	0.4
211.07643	0.8
213.05493	0.9
215.03549	0.6
215.07094	1.0
217.05060	1.6
227.07242	0.5
229.05038	2.5
232.49852	0.5
235.07526	0.6
239.07089	0.8
241.04958	1.0
243.06538	0.9
245.04489	0.7
247.06020	3.1
255.06622	1.3
257.04514	1.6
258.05106	0.7
259.06146	1.9
263.07169	0.6
267.06570	1.0
269.04483	0.5
269.08060	0.5
271.06024	3.5
273.07578	0.7
281.08124	0.9
283.06000	7.4
284.06616	0.5
285.07513	7.9
287.05606	1.8
289.07275	1.7
291.08698	1.3
295.06125	1.9
297.07675	1.3
299.05557	0.7
299.09195	1.0
301.07196	1.7
307.06015	0.5
309.04272	0.7
309.07434	2.3
313.06998	0.8
315.08771	1.6
319.06290	0.6
323.05426	0.6
325.07220	1.6
327.08603	3.9
335.05566	0.9
338.10260	0.5
342.13312	0.7
347.09732	0.5
377.06668	0.5
384.14417	8.6
389.06812	1.2
391.08231	0.6
403.08005	0.7
409.09280	2.9
411.11499	0.5
417.09753	1.2
419.07516	0.7
421.09271	0.7
427.10339	1.0
431.07755	1.7
433.09540	1.4
443.07755	0.7
445.09500	1.2
445.43823	0.5
451.10321	1.8
463.10327	2.5
565.11389	0.5
571.12329	0.7
579.14819	3.3
585.14050	0.7
589.13196	0.6
603.15118	1.3
615.14648	2.4
672.20825	0.7
699.16669	0.9
741.17358	0.8
753.06396	0.6
753.17792	2.3
893.22150	0.6
905.22876	2.1
962.28625	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	959.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.8
69.03423	1.7
70.06573	0.5
71.04990	0.3
71.60030	0.6
73.02918	0.4
75.01677	0.3
79.05490	1.0
81.03423	2.7
81.07058	1.3
85.02897	2.1
91.05474	2.2
93.07033	1.0
94.06596	0.5
95.04976	1.2
95.08622	0.8
97.02881	1.2
99.04435	0.5
103.05480	0.4
105.07037	1.0
107.04953	0.4
107.08591	0.6
109.02904	1.6
109.06548	0.4
109.10150	0.4
111.04448	0.4
119.04953	1.4
119.08633	0.5
121.06519	0.6
121.10137	0.4
122.06026	0.7
123.04420	0.6
123.08116	0.4
124.07577	0.4
127.03912	1.7
131.04935	0.3
131.08583	0.4
134.06020	0.5
135.04434	0.4
135.08011	0.3
136.06181	0.4
136.07545	0.4
137.02333	6.4
137.05962	2.3
137.09631	0.4
140.07036	0.5
141.78143	0.3
143.05682	3.1
145.02905	1.2
147.04468	1.9
147.11670	0.5
148.07593	0.5
149.06076	0.4
149.09610	0.7
151.03929	3.5
152.07086	0.4
161.06020	0.6
163.03886	0.7
163.07574	0.5
165.01833	0.4
166.08693	0.8
167.03410	0.3
167.07037	3.9
168.07417	0.3
174.09360	0.3
175.03896	1.6
175.07523	0.4
176.04495	0.4
177.05460	1.8
179.03424	0.6
179.07108	0.4
181.05023	0.5
181.08589	0.3
193.08531	0.3
207.06525	3.7
207.13869	0.3
208.06712	0.3
222.11375	0.4
223.08710	0.6
223.12244	0.5
224.09526	0.4
225.10275	1.0
235.08765	1.2
235.12367	0.5
236.09511	1.1
237.10210	3.1
238.11006	0.6
239.11786	1.5
247.08691	0.3
248.09381	0.4
249.10211	4.8
250.10944	2.6
251.08301	1.0
251.11787	5.2
252.09073	0.4
252.12633	1.0
253.09834	1.3
253.13358	1.1
261.10349	0.8
262.11008	0.5
263.08295	1.3
263.11844	2.0
264.08963	1.8
264.12405	0.3
265.09802	4.8
265.13321	1.2
266.10474	1.3
267.11206	2.1
269.09167	0.4
269.12805	0.3
273.10324	0.3
277.09760	3.5
278.10553	3.3
279.07755	3.6
279.11346	9.2
280.11984	2.0
281.09515	0.5
281.12866	2.4
283.10623	0.4
283.54776	0.3
285.12659	0.7
287.05560	2.4
289.09821	0.9
290.10629	0.5
291.07843	0.3
291.11322	1.2
292.08505	1.7
292.11862	0.6
293.09283	3.2
293.12946	5.2
294.10159	0.9
294.13623	0.7
295.10809	1.0
295.14490	1.3
296.11639	1.0
297.12454	1.8
299.14136	0.3
305.09137	1.4
306.10077	0.9
307.10736	4.6
307.14072	0.3
308.11493	0.9
309.08987	0.5
309.12396	2.9
310.13055	0.7
311.10327	1.8
311.14041	1.7
313.11935	0.6
315.11374	0.3
319.10794	0.5
321.12369	2.4
322.13068	1.5
323.10306	1.0
323.13974	2.0
324.11023	0.9
325.11807	3.5
325.15335	0.4
326.12979	0.6
327.13611	0.4
329.13052	0.4
333.08850	1.2
334.09467	0.5
335.10400	0.8
337.11752	0.9
338.12683	1.1
339.13596	4.2
340.14465	0.7
341.15265	0.6
342.12720	0.6
343.10739	0.4
345.12256	0.7
349.12003	1.0
351.09943	0.4
351.13858	0.6
352.10645	0.4
353.11243	0.9
353.15091	3.1
354.12289	0.8
355.10501	0.7
356.14108	0.6
357.12637	1.0
365.11301	0.5
366.12222	0.3
367.12909	2.3
368.13947	1.1
369.14316	1.0
370.15698	0.6
371.10043	0.4
371.14127	0.7
373.11584	1.3
375.13440	0.5
380.13834	0.4
381.14716	0.6
382.15891	0.4
383.10455	0.9
384.11203	0.4
385.13342	0.6
387.13660	1.0
389.15137	0.4
397.12292	1.1
398.14941	1.0
399.15680	1.8
401.11441	0.9
405.14551	0.4
409.13751	0.3
410.15237	0.3
411.09604	0.5
411.14957	0.5
415.12979	1.6
417.14813	1.3
421.14191	0.3
423.15454	0.8
425.11618	0.8
427.14090	0.5
428.15854	0.4
429.15323	0.4
430.17517	0.5
433.14059	0.4
438.14624	0.6
443.12228	1.8
445.13977	1.1
451.15125	0.8
455.18222	0.4
456.15881	0.5
457.14377	0.8
459.15509	0.3
461.13513	0.7
463.14850	0.6
465.16666	0.5
469.16003	0.8
475.15143	0.9
477.16974	0.4
483.17667	1.3
485.13721	0.7
487.15616	0.4
497.15540	0.6
499.16794	0.6
503.14758	0.8
511.17258	1.3
513.18604	0.6
517.15735	0.3
519.17615	0.9
535.17249	0.4
542.19452	0.5
543.19934	1.4
547.16852	0.6
559.17566	0.4
563.16724	1.2
565.18622	0.3
566.19470	0.4
569.15302	0.9
577.18652	0.5
578.19324	0.8
584.20447	0.5
587.16455	2.4
591.18463	0.6
597.21466	1.6
598.21167	0.4
601.19373	0.7
604.22778	0.4
605.17566	0.6
606.18298	3.4
606.25433	0.3
607.18750	0.4
615.23895	1.9
616.23010	0.4
619.19342	4.7
620.21307	0.4
629.17505	0.6
632.22894	0.5
633.23279	1.1
634.23901	0.6
636.25195	0.8
637.20502	1.2
647.18616	3.1
650.23431	0.6
664.19244	0.4
665.19684	4.3
671.26752	0.4
679.21246	4.7
682.26154	0.6
696.21405	0.7
697.22394	100.0
698.22522	2.3
705.25696	0.7
723.26709	0.5
737.28009	3.0
741.28046	1.2
755.29150	2.3
773.30475	1.3
787.25433	1.7
804.25873	1.1
818.28802	0.5
836.28644	16.3
837.29156	4.3
895.30701	0.5
927.33124	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.8
69.03430	3.3
69.07068	2.1
70.06549	0.9
70.96331	1.7
70.96697	1.6
79.05499	1.2
81.03423	7.7
81.07053	2.0
83.04995	1.3
85.02911	3.7
91.05483	4.4
93.07042	2.1
94.06563	3.5
95.04987	2.9
97.02906	2.8
97.06508	1.1
103.05464	4.2
105.07047	2.0
106.06567	1.4
107.08575	1.3
108.08115	3.6
109.02897	4.9
117.03346	1.0
117.07063	0.8
119.04950	3.5
119.08603	1.5
120.04438	1.1
120.08112	2.5
121.06522	1.3
121.47723	0.9
122.06040	12.4
123.04446	2.1
124.07433	0.8
127.03925	3.3
131.04936	7.9
133.06445	0.8
134.06038	2.5
136.06218	0.9
136.06552	1.0
136.07576	7.9
137.05980	4.4
138.09116	1.4
140.07086	2.4
141.60599	0.8
143.05659	9.9
144.08099	1.3
145.02878	2.1
145.06462	1.7
146.06001	2.5
147.04395	2.7
147.11752	1.0
148.07593	4.5
149.05980	1.6
151.07639	0.9
152.07042	1.1
154.08693	0.9
159.11752	0.9
160.07567	1.6
161.06000	1.0
162.09192	1.6
163.03903	1.0
164.07062	1.7
166.08641	2.4
167.07047	28.9
172.03894	1.0
172.07523	1.0
173.06036	2.6
174.05516	2.5
175.03929	2.1
176.04674	1.2
176.06949	0.9
177.05469	5.4
179.06970	1.4
181.04997	3.8
186.09172	1.4
190.04996	1.2
191.07047	1.4
193.08655	1.7
199.08641	1.4
202.08630	1.2
204.06560	2.1
205.08699	1.1
206.08136	1.2
207.06516	7.5
209.10788	1.0
211.08611	1.3
211.12363	1.4
212.09338	0.8
213.10260	1.8
221.10535	1.1
222.11411	1.9
223.04243	1.0
223.08716	3.8
223.12164	4.2
224.09328	2.0
224.12991	1.4
225.10225	12.3
225.13896	2.4
226.10994	2.2
227.11710	4.6
232.09624	1.5
233.08168	0.9
234.09111	0.9
235.08708	4.0
235.12347	2.0
236.09482	3.8
237.10214	12.3
237.13849	5.2
238.11058	9.4
239.11795	15.8
240.12567	3.7
241.13350	2.3
243.11235	1.6
247.12383	1.2
248.09503	2.8
249.10220	10.1
250.10977	12.0
251.08269	4.4
251.11778	36.2
252.12549	9.3
253.09753	2.7
253.13324	9.5
254.14069	1.6
261.10205	2.0
262.11072	1.8
263.11810	17.9
264.08981	1.5
264.12509	6.0
265.09769	8.6
265.13379	35.9
266.10553	3.5
266.13931	4.0
267.11316	6.3
267.14774	5.0
268.11987	2.4
269.12769	1.4
271.06146	1.5
275.11847	2.4
276.09750	1.1
276.12637	1.1
277.09766	5.6
277.13388	3.3
278.10449	7.7
279.11310	23.6
279.14404	1.8
280.12061	5.3
281.09924	1.4
281.12842	8.4
282.13629	1.3
283.10733	5.6
284.11307	1.4
285.12231	4.1
287.05383	1.6
289.13550	1.2
291.11279	8.9
292.12003	2.9
293.09433	0.8
293.12817	19.4
294.13766	2.4
295.10757	3.6
295.14417	5.6
296.11569	2.8
297.12329	10.0
298.13254	4.0
299.14081	6.5
303.11151	1.4
305.09436	1.6
305.12946	2.9
307.10770	1.9
307.14227	1.0
309.12360	12.2
310.13123	2.8
311.10214	1.3
311.13895	27.8
312.14590	2.0
313.15497	2.9
316.14648	1.2
317.13068	1.3
319.10806	3.5
320.11319	1.7
321.12402	10.1
322.13010	1.2
323.13947	2.5
325.11893	1.2
325.15479	1.9
327.13681	1.2
328.14392	1.0
333.12140	1.0
337.11795	3.9
337.15433	1.0
338.12640	2.7
339.13525	8.8
340.14566	1.5
341.15201	1.8
342.16223	1.5
344.13837	2.8
347.13937	1.3
351.13306	4.9
352.14032	1.4
353.14960	12.7
354.15897	1.3
355.16547	2.7
356.13702	1.1
357.14594	2.6
358.15613	2.1
359.16354	1.2
360.17374	1.8
367.12961	1.0
369.14755	7.1
370.15302	2.0
371.16040	19.6
372.17044	3.1
373.17975	1.4
381.14343	1.9
383.15945	3.2
384.17191	1.3
386.18747	3.0
387.14813	1.3
393.14322	1.0
399.15927	1.2
400.16519	2.6
401.17474	1.3
406.80649	1.1
407.15948	1.0
411.15524	3.0
413.17212	4.8
414.18088	5.0
416.19952	1.7
417.15387	13.3
418.17014	1.6
419.15848	1.7
423.15720	1.6
425.17877	1.1
426.17606	1.1
431.18369	1.2
432.19257	4.7
435.15497	3.9
437.17093	6.2
440.15952	1.8
441.16586	2.7
442.17322	5.1
443.18326	1.5
444.19211	1.5
446.20663	1.1
447.15735	2.3
453.16541	5.5
454.17090	2.1
454.33984	1.0
455.12186	1.4
455.18179	11.5
456.19003	1.4
460.18872	3.1
463.14603	1.9
465.16483	5.4
467.18005	1.2
468.19254	1.4
471.17172	1.2
472.18558	1.6
474.20428	6.9
479.18179	1.6
481.16122	5.8
482.16620	2.1
483.17841	7.1
484.18478	1.2
490.19632	1.3
492.21307	7.1
494.22864	1.8
495.17593	3.5
496.18152	1.1
497.19128	5.6
502.19290	1.2
513.18665	16.2
514.19550	2.4
515.20276	32.7
516.20880	1.3
522.22028	1.2
534.22388	11.6
540.20959	4.1
542.22803	2.8
558.22223	5.3
560.23578	1.3
568.20782	4.6
570.22351	1.2
572.23761	1.4
576.23541	3.7
582.22382	1.3
586.21863	12.7
588.23181	6.2
594.24908	1.4
600.23413	40.9
601.24200	12.0
602.24689	3.7
604.22980	11.4
606.24359	2.8
615.27594	1.5
618.24420	33.8
619.25232	24.3
620.26044	9.3
622.24042	2.1
624.24988	1.4
636.25519	100.0
637.25873	8.0
638.27063	2.0
654.26794	1.4
655.27802	1.6
675.29938	3.6
681.29028	1.9
691.27313	2.5
695.25665	1.3
709.28699	15.2
723.17419	1.8
723.30176	33.4
724.30157	1.3
727.30103	4.7
741.31268	48.4
742.31140	1.8
745.30609	3.4
759.31818	6.8
777.33380	10.1
799.37164	1.0
898.62457	0.9
957.35406	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	51.5
69.03416	2.4
69.07069	13.3
71.04988	1.5
71.50311	1.9
73.02922	4.1
79.05493	34.2
81.03403	1.8
81.07057	55.6
83.04986	1.4
83.08607	6.9
85.02432	1.1
85.02908	14.5
85.06532	1.3
86.08207	0.8
91.03950	8.5
91.05479	22.1
91.50447	0.6
93.07044	39.9
95.04981	4.2
95.08606	41.0
97.02879	7.3
97.06537	2.3
97.10161	3.5
99.04453	1.4
99.08083	1.8
104.65837	0.8
105.04520	0.8
105.07028	17.3
107.08595	23.7
109.06512	1.2
109.10155	23.5
111.08103	1.4
115.03942	1.3
117.07016	8.6
119.08590	15.3
121.09322	1.4
121.10151	19.9
123.08083	0.8
123.11704	6.7
124.45686	0.7
127.03902	3.6
129.06970	2.0
130.07771	1.0
131.08575	10.7
133.10118	12.0
135.11696	13.4
137.13232	2.8
139.11168	0.7
143.08571	2.8
145.04985	5.2
145.10121	9.6
147.11687	11.1
149.13258	9.4
157.10167	2.2
159.11694	11.6
161.13252	8.6
163.06059	7.2
163.14848	4.5
165.12643	1.0
169.10104	0.9
171.11699	2.6
173.13240	6.6
175.14871	3.8
177.16341	1.4
183.11757	0.9
185.13229	1.4
187.14833	4.3
189.16327	1.1
199.14920	1.4
201.16425	2.3
203.17844	0.9
205.15929	0.8
211.14828	1.1
213.16458	1.0
215.17915	1.1
217.19504	1.0
241.19536	5.1
243.21056	6.2
257.19046	1.1
259.20535	9.3
261.22134	20.0
263.23718	2.6
273.22064	0.9
299.23785	0.8
301.25085	1.0
317.24680	4.1
333.24304	9.2
335.25797	100.0
337.27377	13.8
487.06674	0.8
521.43378	3.5
539.44031	1.3
543.40613	1.4
571.81763	0.9
595.47156	19.2
613.48254	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	83.1
67.74309	4.5
69.03425	10.1
69.07063	27.0
69.62514	8.3
69.62920	29.4
71.04990	5.4
73.02922	7.0
79.05492	74.7
81.03429	12.8
81.07056	83.7
83.04957	7.6
83.08620	17.4
85.02902	26.4
85.06562	5.0
91.03974	11.9
91.05479	59.5
93.07038	73.0
95.04973	18.5
95.08595	52.2
97.02889	20.5
97.06512	33.6
97.10169	19.6
105.07027	51.0
107.04950	13.3
107.08601	47.1
109.06493	6.9
109.10163	27.4
111.08074	7.2
117.07021	23.0
119.08575	28.7
121.06488	9.4
121.10148	26.4
123.08058	4.8
125.09612	21.2
127.03910	7.7
129.06937	6.4
131.08554	29.4
133.06442	4.6
133.10135	32.1
135.08081	8.1
135.11717	21.7
143.08536	9.0
145.10136	29.2
147.11696	17.6
149.09604	22.1
149.13258	10.7
157.10135	7.1
159.11700	18.6
161.13234	6.1
163.11148	7.9
171.11600	5.8
173.13223	6.5
183.11804	6.2
185.13293	5.4
189.11209	15.0
191.57826	4.7
193.96860	4.9
227.12778	32.9
257.19012	13.1
259.20718	11.1
261.22198	11.8
275.20056	44.0
333.24170	5.2
335.25763	100.0
335.29797	5.0
349.23718	43.9
351.25229	6.2
505.34961	16.8
513.39325	7.7
609.45050	63.2
627.45917	28.4
693.47260	6.0
951.53595	7.9
982.89526	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	951.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05522	0.5
68.99775	0.5
69.03428	1.1
69.07065	0.7
70.66573	0.3
71.01321	0.1
71.04970	0.2
73.02919	0.1
73.04005	0.1
73.18628	0.1
77.03902	0.1
79.05466	0.3
79.77557	0.1
81.03067	0.1
81.03415	0.9
81.07059	0.5
81.45267	0.1
82.06873	0.1
83.02476	0.1
83.04965	0.2
83.08595	0.2
85.02898	0.8
87.00809	0.1
87.06712	3.7
88.76907	0.1
89.03893	0.2
91.05477	5.7
93.07004	0.4
95.04947	0.3
95.08577	0.4
97.02896	0.7
99.04390	0.2
103.05434	0.3
105.03390	0.1
105.07032	1.3
107.08595	0.5
109.02867	1.3
109.06477	0.1
109.10165	0.8
111.04383	0.2
111.06658	0.2
113.04633	0.2
115.03972	0.1
115.05443	0.2
117.07027	0.2
119.04937	7.5
119.08576	3.6
119.09280	0.1
119.09455	0.1
121.02889	0.2
121.06501	0.1
121.10119	0.2
123.04429	0.2
123.08100	0.1
123.11726	0.1
124.89779	0.1
125.02363	0.1
125.04550	0.1
125.05940	0.1
126.02972	0.3
127.02972	0.1
127.03909	1.8
129.01852	0.5
129.03342	0.1
131.04912	0.3
131.08543	0.3
132.02078	0.2
133.02869	0.2
133.06421	0.1
133.10124	3.0
135.04382	0.1
135.08015	0.1
135.11684	0.6
136.05162	0.1
137.05946	0.4
137.09621	0.2
141.01924	0.1
141.04060	0.9
141.07005	0.1
142.04884	0.3
143.05637	100.0
144.06020	0.3
145.02814	0.3
145.04996	0.2
145.06458	0.2
145.10120	0.3
146.03641	0.1
146.10956	0.1
147.04404	7.1
147.11691	0.3
149.02341	0.3
149.05972	0.1
149.13188	0.1
151.03883	0.1
152.06133	0.1
153.01826	0.1
153.05420	0.1
155.05598	0.1
157.03929	0.6
157.06506	0.1
161.05966	0.4
163.03847	0.1
163.07481	0.2
164.04776	0.2
165.05498	0.1
165.06860	0.1
167.05621	0.5
167.07043	1.1
169.06375	0.1
171.02998	0.1
173.13208	0.1
175.03900	12.6
175.14813	7.1
176.04500	0.2
177.05452	0.4
179.07034	0.7
181.08643	0.1
185.06772	0.7
187.07494	0.1
189.05440	0.2
191.07089	0.1
193.04982	0.3
193.08630	0.2
193.15904	0.5
197.05997	0.1
207.06520	19.4
208.06970	0.2
209.06746	0.3
211.07666	0.1
211.16907	0.6
213.03900	0.3
213.05661	0.1
217.05014	0.1
219.06526	0.4
222.08778	0.1
231.04787	0.2
233.06534	0.1
235.06006	0.1
245.08089	0.3
249.07520	0.2
251.05501	0.4
251.07941	0.2
256.07361	0.2
263.09183	0.3
263.12009	0.1
269.08505	0.1
271.06012	3.0
271.09039	0.1
272.06696	0.1
273.07675	0.1
283.06146	0.2
287.05600	0.2
287.09305	0.2
291.08670	1.2
297.07587	0.3
305.10901	3.3
313.07147	0.4
315.08655	1.1
333.09769	0.2
337.07477	0.1
349.11502	0.2
351.10995	0.1
352.14380	0.1
357.08337	0.2
373.09882	3.1
373.14352	0.2
391.10596	0.6
419.09915	0.3
433.11966	2.4
437.10733	0.2
481.12167	0.1
497.13110	0.2
499.12933	0.9
517.14075	3.0
527.11676	0.1
535.15320	1.5
545.13208	0.2
553.16394	0.1
563.13910	2.1
581.15033	1.4
599.16046	6.5
604.89032	0.1
625.15283	0.2
705.18744	0.3
723.19934	1.3
727.29492	0.1
741.20886	6.5
745.31915	0.7
759.21948	0.6
779.34393	0.1
811.82147	0.1
930.28937	0.1
951.37042	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	951.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	0.6
68.99795	0.5
69.00147	0.1
69.03429	1.4
69.07040	0.2
70.06553	0.1
71.01365	0.1
71.02482	0.1
71.04994	0.1
71.13181	0.1
73.02911	0.1
76.48537	0.1
77.03896	0.1
78.04694	0.1
79.05480	0.3
81.03419	1.4
81.07052	0.4
83.02455	0.3
83.04953	0.2
85.02908	1.0
86.03548	0.1
86.09700	0.1
87.00806	0.2
87.06712	3.8
89.03891	0.3
91.05478	5.7
93.07021	0.3
95.04970	0.4
95.08608	0.4
97.02883	1.0
99.04402	0.2
101.03488	0.2
103.05439	0.2
105.03401	0.2
105.07022	0.4
107.04943	0.2
107.08566	0.3
107.66105	0.1
109.02872	1.8
109.06478	0.1
109.10162	1.0
111.04404	0.1
111.06715	0.1
113.04579	0.3
115.05423	0.2
115.06167	0.1
117.03334	0.1
117.07049	0.1
119.04943	8.7
119.08557	0.5
120.05265	0.1
121.02814	0.2
121.10161	0.2
123.04442	0.2
123.08054	0.3
123.11726	0.1
125.03513	0.1
125.04561	0.2
126.03006	0.3
127.03921	2.3
129.01846	0.8
129.03369	0.2
129.06898	0.1
131.04900	0.3
131.08574	0.2
132.02051	0.3
133.06462	0.3
133.10088	0.3
135.04398	0.2
135.11687	0.8
136.05205	0.1
137.05945	0.4
137.09598	0.2
141.04068	1.2
141.06978	0.2
142.04846	0.3
143.05638	100.0
144.06075	0.4
145.02879	0.5
145.04944	0.3
145.06352	0.1
145.10168	0.1
146.03572	0.1
147.04405	8.8
147.11621	0.1
149.02319	0.3
149.05972	0.2
150.03172	0.1
151.03961	0.1
151.11183	0.1
153.01797	0.1
153.06921	0.1
155.05641	0.1
157.03900	0.6
157.06448	0.1
159.04289	0.1
159.08046	0.1
161.06035	0.4
162.03055	0.1
163.03922	0.2
164.04659	0.2
165.06932	0.1
167.05646	0.4
167.07040	1.5
168.05710	0.1
171.02930	0.1
172.05202	0.1
175.03903	16.7
175.14729	0.4
176.04323	0.3
177.05411	0.7
179.07053	0.8
181.04951	0.2
181.08607	0.1
184.05214	0.1
185.06818	0.7
187.07506	0.2
189.05498	0.3
191.06975	0.2
192.04158	0.1
193.04956	0.1
193.08601	0.2
193.15872	0.6
195.02940	0.1
201.03966	0.1
203.06938	0.1
205.04929	0.1
207.06522	26.7
208.06844	0.4
209.06705	0.2
211.16942	0.5
213.03792	0.5
215.07101	0.1
217.04961	0.2
219.06461	0.4
225.07596	0.1
226.06166	0.1
227.06976	0.1
229.04800	0.1
231.04663	0.2
231.06569	0.2
233.06590	0.2
235.06065	0.2
241.04865	0.1
245.08055	0.3
247.05803	0.1
249.07550	0.4
251.05499	0.6
251.07687	0.2
259.09714	0.1
261.07651	0.1
263.09113	0.5
269.08371	0.1
271.05969	1.5
271.09467	0.1
271.09955	0.1
272.06656	0.1
273.05740	0.1
273.07693	0.1
285.07605	0.1
287.05502	0.3
287.09204	0.3
291.08652	1.6
297.07632	0.3
305.10928	3.6
315.08667	1.2
317.10104	0.2
333.09741	0.3
349.11374	0.2
351.10858	0.1
357.08264	0.1
373.09909	4.1
387.14301	0.1
391.10992	0.4
417.15262	0.1
419.09818	0.2
423.10632	0.2
433.12015	1.9
437.10574	0.2
455.11877	0.3
481.12088	0.1
497.12866	0.3
499.13040	0.6
516.52332	0.1
517.14124	2.6
527.12317	0.2
535.15228	0.7
545.13025	0.3
557.15076	0.1
563.13928	3.4
581.14996	2.9
599.16083	10.1
600.15948	0.2
705.18768	0.3
709.91461	0.1
723.19788	0.9
741.20911	4.7
745.31097	0.5
951.37042	5.0
952.37396	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	951.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.6
68.99788	0.5
69.03091	0.1
69.03431	1.7
69.07068	0.2
70.06569	0.1
70.13201	0.4
71.04975	0.2
73.02908	0.1
73.04046	0.1
76.37444	0.1
77.03895	0.1
79.05503	0.4
81.03413	1.4
81.07062	0.5
83.02464	0.2
83.04935	0.2
83.08588	0.1
85.02903	1.1
85.06535	0.1
85.62140	0.1
86.03527	0.1
87.00822	0.3
87.06714	4.0
87.77363	0.1
89.03899	0.3
91.05480	5.8
92.05789	0.1
93.07037	0.3
95.04950	0.3
95.08631	0.6
97.02891	1.1
98.03562	0.1
99.04444	0.4
101.03497	0.1
103.03960	0.1
103.05446	0.3
105.07023	0.6
107.04949	0.3
107.08566	0.5
109.02872	2.0
109.06499	0.3
109.10163	1.2
111.04409	0.2
111.06631	0.1
113.04570	0.4
113.56210	0.1
115.05414	0.2
117.03380	0.1
117.07018	0.1
118.04166	0.1
119.04946	8.6
119.08581	0.7
119.17849	0.1
120.05325	0.1
120.08107	0.1
121.02873	0.1
121.06528	0.1
121.10127	0.3
122.03619	0.1
123.04463	0.2
123.08093	0.1
123.11681	0.2
126.02974	0.3
127.03918	2.3
128.06276	0.1
129.01860	0.9
129.03366	0.2
129.06931	0.1
131.04906	0.3
131.08510	0.1
132.02107	0.2
133.02812	0.1
133.06477	0.3
133.10120	0.4
135.04379	0.2
135.11688	0.7
136.07625	0.1
137.05992	0.6
137.09578	0.4
141.01849	0.1
141.04037	1.0
141.07036	0.1
142.04846	0.3
143.05643	100.0
144.06064	0.6
145.02820	0.4
145.04898	0.2
145.06456	0.2
147.04411	8.1
147.11697	0.1
149.02321	0.2
149.05994	0.1
151.03935	0.2
153.01736	0.2
155.05817	0.2
155.07147	0.1
157.03952	0.5
157.06516	0.1
157.10110	0.1
161.05913	0.5
161.09439	0.1
163.03893	0.2
164.04689	0.2
167.05646	0.3
167.07025	1.8
169.06438	0.2
171.02957	0.1
173.05978	0.1
175.03909	16.3
175.14824	0.4
177.05473	0.9
179.05737	0.1
179.07007	0.6
181.04999	0.2
181.06508	0.1
181.08702	0.1
183.08067	0.2
185.06775	1.0
187.07562	0.2
188.11455	0.1
189.05463	0.3
191.07022	0.2
192.04190	0.1
193.08650	0.2
193.15857	0.6
201.03931	0.1
203.07022	0.3
207.06531	26.9
208.05103	0.1
208.06758	0.5
209.06656	0.2
211.07622	0.1
211.17004	0.5
213.03831	0.5
215.06963	0.1
217.08592	0.1
219.06532	0.4
221.08089	0.2
231.04744	0.2
231.06647	0.3
233.06573	0.2
237.02940	0.1
241.05023	0.1
245.08144	0.5
249.07599	0.5
251.05521	0.5
251.07915	0.2
259.09607	0.1
261.07593	0.1
263.09219	0.4
271.06064	0.7
271.09320	0.2
273.07745	0.1
283.05957	0.1
287.05508	0.6
287.09299	0.4
288.05911	0.2
291.08621	2.0
291.11615	0.1
297.07669	0.4
303.05048	0.7
305.10904	3.8
306.11429	0.1
315.08582	1.4
317.10040	0.2
333.09714	0.4
349.11298	0.3
351.11111	0.2
357.08069	0.2
369.11963	0.1
373.09940	4.1
375.09927	0.1
387.14459	0.1
391.11060	0.4
419.09766	0.4
421.44565	0.1
433.12067	1.9
437.10959	0.2
455.11826	0.3
481.12405	0.1
497.12988	0.2
499.13168	0.7
517.14154	2.5
527.12244	0.3
535.15308	0.9
545.13190	0.3
563.13971	3.2
581.15039	3.2
582.14954	0.1
599.16058	10.9
600.16229	0.2
687.17383	0.1
705.18976	0.3
716.47296	0.1
723.19958	1.1
741.20959	4.9
745.31104	0.4
951.37048	5.1
952.37421	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	950.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.1
69.03433	1.4
69.07027	0.9
69.07359	0.2
70.06564	0.4
70.07124	0.4
70.07527	0.7
71.01328	0.4
71.04948	0.4
72.08094	0.2
72.32678	0.2
72.47534	0.2
78.03391	0.2
79.05487	1.4
81.03370	0.7
81.07065	1.8
83.01301	0.2
83.08572	0.4
85.02898	1.6
90.71599	0.2
91.03928	0.7
91.04950	0.3
91.05476	2.7
92.05004	4.9
93.05739	0.8
93.07050	1.3
94.06533	0.9
95.04918	0.3
95.08575	0.6
97.02905	1.7
99.04461	0.2
101.02322	0.6
105.06987	0.7
106.06567	2.2
107.08553	0.4
109.02850	0.4
109.10114	0.7
115.05394	0.3
117.05750	2.0
117.06997	0.4
118.06541	15.6
119.07339	1.7
119.08540	0.3
119.30341	0.2
120.08086	1.7
127.03850	0.3
130.06511	2.0
131.07266	0.6
131.08470	0.4
132.08089	2.4
133.08827	0.3
133.10106	0.3
134.09601	0.6
135.14850	0.2
138.63078	0.2
144.08061	0.6
145.08835	0.5
146.09671	1.0
148.11159	0.3
150.09027	0.2
160.11183	0.5
162.09142	16.9
163.09930	4.3
164.10643	0.7
174.12834	0.2
176.10703	1.8
190.12288	0.3
202.15901	4.4
208.04303	0.2
218.15378	0.7
218.45988	0.2
230.15399	32.2
231.15703	0.3
232.16937	0.3
246.18536	0.2
248.16443	1.8
262.18112	1.7
274.17978	1.6
290.21121	0.2
291.19577	0.5
292.19064	73.0
293.19440	0.9
304.19016	2.0
318.20709	0.4
322.20197	0.8
332.22293	1.0
335.25897	0.3
348.21680	2.1
436.26498	0.2
510.27075	2.1
533.34753	0.6
559.36469	0.6
564.40973	0.3
591.38544	0.3
626.44153	2.4
672.32422	3.3
788.49292	6.9
789.49164	0.3
950.54688	100.0
951.54926	3.6
957.37823	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	950.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	2.4
67.05836	0.4
69.03429	1.5
69.07017	0.8
71.01324	0.3
71.04960	0.4
79.05483	2.0
79.23257	0.2
81.03412	1.4
81.07058	1.9
83.08611	0.4
85.02898	1.8
88.09553	0.2
91.03909	0.7
91.04987	0.3
91.05476	3.6
92.04999	4.0
93.05744	1.0
93.07037	1.6
94.06515	0.7
95.04914	0.7
95.08567	1.0
97.02885	1.4
97.06474	0.2
97.10117	0.4
99.04436	0.4
101.02339	0.8
105.07020	1.4
106.06540	1.7
106.07212	0.3
107.08557	0.9
109.02816	0.2
109.06514	0.2
109.10107	0.9
117.05753	1.6
117.07004	0.3
118.06537	15.1
119.07321	1.5
119.08533	0.9
120.08097	1.7
121.10090	0.6
123.11659	0.2
127.03857	0.4
130.06505	1.2
131.07263	0.5
131.08554	0.6
132.08076	1.9
133.10106	1.1
134.09587	0.6
135.11710	0.4
137.08391	0.3
138.12886	0.3
144.08040	0.6
145.10051	0.3
146.09621	0.7
147.11641	0.5
160.11150	0.5
162.09137	16.4
163.09912	4.9
164.10677	0.8
176.10710	1.8
190.12302	0.3
193.12134	0.2
202.15900	4.1
218.15414	0.4
227.12740	0.3
230.15393	29.8
231.15778	0.3
246.18448	0.3
248.16470	1.5
253.14513	0.2
262.17984	1.3
267.15915	1.4
274.18008	1.6
275.20035	0.6
291.19571	0.5
292.19055	83.5
293.19543	1.4
301.30502	0.2
302.21069	0.2
304.19086	1.6
322.20123	1.0
332.22064	1.8
335.25897	0.3
348.21722	2.6
349.23807	0.3
510.27066	2.7
541.35181	2.0
559.36456	0.6
582.41559	0.4
591.38654	0.4
626.44165	2.4
672.32172	3.1
788.49414	5.5
789.49298	0.4
950.54681	100.0
951.55029	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	949.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	40.4
69.03427	5.7
69.07069	9.6
71.04980	2.0
73.02907	1.8
79.05491	30.4
81.03399	2.4
81.07055	40.5
83.04975	2.4
83.08617	5.9
85.02901	9.4
85.06549	1.7
88.27222	0.9
91.03972	4.5
91.05476	38.4
93.07040	33.2
95.04965	6.8
95.08606	28.5
97.02869	6.4
97.06519	5.1
97.10159	4.0
99.04472	0.7
99.08058	0.7
103.05470	1.9
105.07030	28.7
107.04939	2.3
107.08597	15.5
109.02886	0.8
109.06532	10.1
109.10147	9.4
111.08064	3.7
112.51194	0.7
115.05447	3.5
116.06242	1.5
117.07006	17.9
119.04958	0.8
119.08577	18.8
121.06503	6.8
121.10138	10.9
123.04434	0.9
123.08075	5.9
123.11694	2.6
125.05972	0.8
125.09595	1.8
127.03900	2.1
128.06219	9.2
129.07005	11.3
130.07782	4.2
131.08571	31.6
133.06502	9.2
133.08614	0.8
133.10136	12.1
135.08044	5.0
135.11679	6.2
137.09598	2.1
137.13171	0.6
139.11166	1.0
139.82237	0.7
141.06987	4.8
142.07768	2.7
143.08554	29.8
143.09691	1.5
145.05009	1.5
145.06442	1.2
145.10123	31.9
146.07285	0.6
147.08052	9.5
147.11671	5.2
149.09573	2.0
149.13237	4.1
151.07524	1.0
151.11148	2.2
153.07051	0.9
154.07738	1.2
154.90521	0.6
155.08542	5.1
156.09244	0.8
157.10130	10.9
159.08044	3.7
159.11674	13.5
161.09624	9.2
161.13223	1.9
163.06096	1.1
163.11180	2.8
163.14749	0.9
165.07040	1.4
165.12781	1.1
167.08556	2.5
169.10115	5.9
171.08034	1.5
171.11687	7.2
173.09619	3.6
173.13260	2.7
175.07573	0.7
175.11230	5.0
175.14824	1.0
177.12747	7.0
181.10141	5.3
182.10889	0.8
183.11684	4.1
185.09621	1.9
185.13239	5.1
187.11197	2.4
187.14844	0.9
189.12823	1.4
195.11690	7.1
197.13240	2.0
199.11232	1.5
199.14854	1.7
201.16438	0.8
203.14375	0.9
209.13194	2.3
211.14790	1.2
213.12738	1.9
227.17950	3.0
229.19514	0.7
231.13838	0.8
237.16370	9.9
245.19090	3.9
255.17432	15.9
257.18991	1.6
259.20590	0.7
261.22235	2.8
271.16669	0.7
273.18481	51.9
274.18961	0.9
291.19464	2.0
299.85211	0.7
322.24008	0.8
329.21017	3.5
333.24420	0.9
334.21390	0.7
335.25793	100.0
336.26154	1.6
347.22153	26.6
381.20456	1.2
408.68515	0.8
417.22803	1.1
429.26376	0.7
435.23737	1.1
492.16983	0.8
567.59741	0.9
607.43555	64.7
608.43884	2.2
625.44336	8.0
769.47913	1.0
787.49823	1.4
949.47418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	58.8
69.03423	8.3
69.07070	16.6
71.04996	2.9
71.12483	2.8
73.02912	4.6
79.05493	48.7
81.03412	6.4
81.07053	66.3
83.05002	7.8
83.08617	14.1
85.02895	14.5
85.06541	2.3
91.03961	8.6
91.05479	73.1
93.07042	55.2
95.04950	12.4
95.08608	45.5
97.02906	11.3
97.06528	8.5
97.10163	5.9
99.04440	2.7
99.08091	2.0
103.05450	4.3
105.07027	59.5
107.04945	6.6
107.08588	27.5
109.06517	17.5
109.10157	16.2
111.08081	4.7
115.05434	6.0
116.06249	3.7
117.07008	39.6
119.08582	39.5
120.89227	1.1
121.06506	10.9
121.10150	16.2
123.08083	13.2
123.11719	4.3
125.06012	1.8
125.09634	3.7
127.03918	2.5
128.06227	21.1
129.07005	25.7
130.07788	7.2
131.08568	73.8
133.06494	16.9
133.10130	22.2
135.08014	7.8
135.11684	11.9
137.09592	3.6
139.11194	2.5
141.07021	8.8
142.07813	5.8
143.08557	80.4
144.09299	1.9
145.05057	3.2
145.06442	6.4
145.10120	75.9
146.07236	1.5
147.08037	17.3
147.11676	10.7
149.09663	4.5
149.13257	4.7
151.07553	2.3
151.11168	4.2
153.06969	1.2
154.07782	2.5
155.08536	11.3
157.10136	21.6
159.08054	7.1
159.11685	25.7
161.09624	19.0
161.13261	3.9
163.11180	5.9
163.14865	1.9
165.07011	2.5
165.09129	1.6
165.12753	1.9
166.07823	2.8
167.08601	4.8
169.10120	16.0
171.08043	2.8
171.11658	14.9
173.09639	6.0
173.13257	7.0
175.11224	7.5
177.12738	13.0
179.08549	1.5
180.09357	2.2
181.10110	11.2
183.11687	9.8
185.09628	3.0
185.13229	8.4
187.11162	3.4
187.14758	1.9
189.12819	2.3
193.10165	1.7
195.11682	21.7
197.13281	3.5
199.11160	3.1
199.14896	2.5
201.12762	3.5
209.13286	4.9
211.14830	2.3
213.12735	4.4
217.16093	1.3
222.14122	1.4
226.51788	1.3
227.14371	1.8
227.18004	6.4
233.13394	1.8
237.16377	23.8
241.14392	1.5
245.18993	3.5
255.17442	32.0
257.19077	1.8
261.22183	4.8
271.17023	1.8
273.18494	100.0
275.20126	1.5
291.19672	4.8
293.10916	1.3
297.18463	1.8
318.31046	1.3
329.21219	7.0
335.25800	91.5
336.26276	1.8
347.22168	54.6
417.22842	4.0
435.23764	1.8
589.42560	1.7
607.43542	96.8
608.43640	3.9
625.44318	9.8
751.46790	1.8
769.47510	2.0
787.49115	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	0.8
68.71802	0.2
68.99785	0.3
69.03420	1.2
69.07053	0.4
69.95787	0.4
69.96180	0.4
70.06587	0.3
71.04993	0.2
79.05510	1.0
81.03407	1.1
81.07054	0.9
83.02473	0.2
83.04974	0.6
84.08129	0.2
85.02912	1.0
87.00818	0.2
87.06717	3.6
89.03886	0.2
91.05482	5.4
93.07044	0.7
95.04957	0.6
95.08603	0.5
95.21629	0.2
97.02888	0.9
97.06579	0.2
97.10178	0.2
97.45106	0.2
99.04425	0.2
103.05441	0.3
105.03342	0.2
105.07034	1.7
107.04948	0.6
107.08600	2.2
109.02892	1.3
109.06534	0.4
109.10151	0.8
113.04612	0.3
115.05437	0.5
117.03371	0.4
117.06992	0.8
119.04941	5.6
119.08578	0.5
121.02890	0.2
121.06487	0.6
121.10151	1.4
122.07270	0.8
123.04385	0.2
125.04615	0.3
127.03918	1.4
129.01881	0.3
131.04926	0.5
131.08565	0.3
133.06500	0.3
133.10129	4.5
135.04396	0.3
135.08046	1.9
135.11665	0.3
137.05994	0.7
137.09618	5.1
141.01871	0.2
141.04085	1.0
142.04869	0.7
143.05643	100.0
144.05984	0.4
145.02884	0.9
145.10114	0.5
147.04416	4.7
147.11684	0.2
149.13246	0.6
151.03879	0.3
151.07515	0.2
157.03995	0.2
161.05952	0.4
162.09178	0.2
163.03906	0.3
163.07466	0.2
167.05692	0.4
167.07022	2.1
173.13298	0.4
175.03915	8.9
176.04199	0.2
177.05481	1.2
178.06000	0.2
179.06996	0.5
181.04953	0.4
185.06677	0.6
189.05423	0.2
191.07030	0.3
191.14307	1.8
193.08662	0.3
195.08739	0.4
197.65843	0.2
207.06529	14.4
208.06818	0.3
219.06584	0.3
251.05548	0.4
263.09161	0.3
269.08362	0.2
271.06058	1.1
273.07611	0.2
279.11288	0.2
280.33832	0.2
287.05496	1.2
287.08954	0.3
291.08636	1.5
297.07535	0.4
301.06906	0.2
303.05063	0.3
305.10898	2.8
313.07187	0.2
315.08713	1.1
333.09747	0.2
333.19254	1.5
352.63000	0.2
364.48288	0.2
371.15906	0.2
373.09921	3.0
391.10657	0.5
397.51825	0.2
433.12048	2.0
499.12936	0.6
511.60471	0.2
517.14160	2.6
535.15442	0.8
553.16315	0.9
563.13916	0.8
563.22571	0.2
571.83282	0.2
581.15308	1.0
599.16083	3.5
638.25104	0.2
705.19122	0.2
723.20105	1.1
723.31262	0.2
741.21002	4.5
743.30243	0.4
759.21997	3.7
789.29156	0.2
826.35217	0.4
917.33154	0.2
931.34479	0.4
949.35059	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	947.394
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	4.1
69.03431	4.3
69.07075	3.8
70.06582	1.4
71.60260	1.7
72.45707	0.7
79.05480	2.5
81.03408	6.9
81.07043	2.4
83.04987	1.9
85.02892	4.1
91.05480	6.0
93.07044	2.8
94.06576	4.6
95.04952	4.0
95.08607	0.9
97.02885	4.7
99.04459	1.9
103.05437	1.6
105.07030	2.2
107.04938	2.3
107.08588	1.6
108.08111	4.9
109.02878	4.5
110.06053	1.0
111.04423	1.7
117.03388	2.1
117.07053	1.0
118.06548	0.8
119.04938	3.3
119.08564	1.3
120.04442	1.7
120.08099	3.7
121.06547	1.1
122.06034	12.7
123.04420	1.5
124.07587	1.9
127.03910	5.0
129.06969	0.9
131.07277	0.8
131.08569	0.8
132.08075	1.5
133.02834	0.9
133.10176	1.1
134.06021	3.1
134.09624	1.0
135.04445	1.5
136.07593	10.2
137.05981	3.2
137.09697	1.0
138.05495	1.3
138.09091	1.3
139.03928	1.8
140.07069	3.7
141.05464	0.9
142.08549	0.8
143.05655	12.8
144.08096	0.9
145.02866	2.8
146.06017	3.7
147.04408	3.4
148.07539	6.8
149.05960	0.8
150.09161	0.9
151.03915	1.3
152.07063	2.4
153.01843	1.9
154.08586	1.1
160.07581	2.4
161.06062	1.3
162.09149	4.3
163.03934	2.1
163.07437	0.9
164.07074	2.5
166.08612	2.4
167.07051	6.8
169.04933	1.1
170.05817	2.2
172.03908	1.3
172.07622	1.7
174.05510	3.1
174.09184	1.5
175.03896	3.9
177.05492	8.0
178.08601	1.0
180.10229	2.0
182.09644	0.9
186.09212	1.4
190.04848	1.6
190.08604	1.4
192.10184	1.0
197.10655	1.4
198.09152	1.2
199.08685	1.8
202.08675	1.4
204.06592	3.6
206.08156	1.9
207.06531	8.4
208.09741	5.2
209.10754	2.3
210.11479	2.2
211.08684	1.5
211.12331	1.9
212.09224	1.4
213.10237	2.9
214.08707	1.1
215.11887	1.1
221.10724	2.1
222.11458	2.6
223.08572	5.6
223.12225	4.7
224.09172	1.2
224.12978	1.7
225.10208	14.6
225.13860	2.7
226.11002	2.7
227.08119	2.3
227.11696	5.2
229.09666	0.9
232.09743	2.2
233.08067	0.9
234.11314	1.0
235.08540	4.9
235.12285	2.1
236.09358	4.3
236.13017	2.0
237.10216	13.1
237.13760	4.7
238.10995	12.0
238.14464	1.0
239.08098	1.3
239.11771	20.0
239.15387	1.7
240.12480	5.2
241.09691	3.5
241.13336	2.9
243.11316	1.7
247.12306	1.3
248.09142	4.2
248.13020	1.3
249.07848	1.1
249.10208	9.8
249.13904	1.1
250.10959	14.1
251.08057	5.7
251.11809	45.3
252.09741	1.3
252.12447	9.8
253.09711	4.7
253.13338	12.3
254.14125	1.8
255.11285	3.0
256.12057	1.0
257.12845	1.1
261.07590	1.3
261.10147	1.2
262.11005	2.0
263.11795	29.2
264.09052	2.5
264.12518	8.0
265.09766	13.5
265.13351	47.6
266.10504	5.3
266.14011	5.6
267.11368	8.5
267.14587	5.5
268.12048	2.2
268.15775	1.0
269.09195	1.3
269.12802	3.4
271.06015	3.7
271.10678	1.6
275.11685	2.3
276.12686	1.3
277.10199	6.0
277.12866	5.6
278.10489	7.1
279.11292	30.5
279.14325	2.0
280.12021	6.9
281.12854	9.0
282.13550	1.7
283.10764	8.6
283.14240	1.7
284.11603	2.2
285.12326	2.5
287.05499	3.2
287.11786	0.9
289.13428	1.1
291.11328	11.4
291.14517	1.3
292.11984	3.8
293.12836	24.0
294.13574	3.6
295.10739	4.9
295.14386	7.2
296.11563	4.2
297.12311	11.7
297.15363	1.4
298.13138	5.5
299.13928	8.2
301.13123	1.2
303.11087	1.5
304.11887	1.1
305.09274	1.7
305.12817	2.3
307.10724	2.7
307.14420	2.1
308.11594	1.0
309.12357	14.5
310.13007	5.8
311.10223	1.9
311.13849	32.1
312.14374	2.8
313.12109	1.6
313.15482	4.5
317.12720	1.7
319.10812	5.1
319.14087	1.3
320.11465	1.7
321.12302	10.9
322.13046	1.9
323.10217	1.0
323.13815	3.2
324.14734	1.4
325.11853	2.8
325.15485	3.3
326.16327	1.1
327.14011	1.2
329.12357	1.0
331.13376	1.4
335.13739	1.3
337.11743	4.9
337.15359	1.0
338.12549	2.4
339.13605	8.8
340.14236	1.6
341.14957	2.3
342.12305	1.0
342.16046	1.6
343.13046	1.5
344.13959	3.2
344.17621	1.4
347.13828	1.3
351.13342	5.2
352.14270	1.9
353.10983	1.2
353.14969	12.7
354.15796	1.9
355.16522	3.1
356.13803	2.5
357.14603	3.1
358.15323	3.2
359.13422	1.3
360.16983	1.7
365.15179	2.3
367.12567	1.1
367.16815	1.1
369.14694	10.4
370.15234	2.5
371.16046	23.2
372.17160	4.7
373.18039	1.1
374.18887	1.1
379.12485	1.3
381.14200	2.7
383.16168	1.9
384.17117	2.1
385.17773	1.3
386.18521	3.1
387.15564	1.6
393.14304	1.3
394.15256	1.1
395.15912	1.4
396.17181	1.6
398.18796	1.3
399.15851	1.5
400.16309	2.7
401.17422	1.1
402.17871	2.0
404.15881	1.1
405.14047	2.1
407.15869	1.1
411.15698	4.0
412.16345	2.2
413.17157	7.9
414.18323	6.0
416.19586	2.8
417.14066	1.1
418.16699	1.0
419.15948	2.0
421.18173	1.3
423.15381	1.2
424.16449	1.4
425.17081	0.9
426.18127	1.2
430.17682	1.9
432.19400	4.4
435.15411	3.5
437.16974	6.8
439.19247	1.1
440.15732	2.7
441.16553	4.4
442.17416	3.6
443.18219	1.7
444.19339	1.2
445.15866	1.4
447.15753	2.9
453.16440	5.9
454.17203	1.9
455.18195	12.7
456.18719	2.1
460.18759	5.1
462.20099	1.2
463.15311	2.8
464.15652	1.5
465.16583	7.5
471.17834	1.7
472.18304	1.1
474.20294	5.0
479.18433	2.5
481.15952	6.5
482.16779	3.0
483.17606	14.1
484.18246	1.4
485.18509	1.1
488.18201	1.0
490.19690	1.8
492.21390	10.4
494.22681	2.8
495.17731	2.4
496.17603	1.1
497.19254	8.9
498.19904	1.2
513.18738	18.9
514.19238	3.4
515.20245	34.8
516.20801	2.7
526.20013	1.0
528.20850	1.7
534.22455	15.4
540.21545	6.0
542.22601	3.5
556.20703	1.2
558.22150	4.7
560.23663	2.6
568.21155	9.0
569.21252	1.2
570.22437	1.3
576.23352	3.4
583.25092	1.8
586.21948	16.7
587.22168	2.3
588.23413	6.5
594.24176	4.3
600.23431	48.6
601.24152	15.5
602.24487	3.7
604.22980	17.1
606.24548	5.2
615.27484	1.3
618.24506	38.4
619.25140	28.6
620.26044	9.4
622.24170	3.9
624.24768	1.7
636.25519	100.0
637.26154	7.6
638.26648	4.3
653.23065	1.3
654.26611	1.1
655.26837	1.7
663.27570	1.6
675.29572	3.7
681.29004	3.7
685.24548	3.5
691.27777	5.2
709.28479	15.6
710.28925	1.2
723.30243	29.3
724.30005	1.3
727.29388	4.6
740.25940	1.7
741.31299	34.1
742.30701	1.6
743.30304	1.5
745.30701	4.0
759.32367	5.0
773.28821	0.9
774.26019	3.7
777.33759	5.8
792.27985	1.5
806.28552	3.5
915.33325	2.7
947.32257	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	947.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	5.0
68.99744	1.4
69.03437	7.0
69.07060	3.1
69.64292	10.1
73.02924	1.4
79.05477	2.9
81.03408	10.0
81.07046	2.7
85.02898	4.6
87.06734	5.0
89.03967	1.4
91.05489	9.4
93.07043	4.5
94.06573	4.4
95.04954	3.9
95.08591	1.8
96.08154	1.4
97.02892	5.7
98.21452	1.4
99.04472	1.3
105.07037	4.5
106.06610	1.6
107.04947	2.1
107.08595	1.9
108.08119	5.5
109.02882	6.0
111.08076	1.8
115.05467	1.8
115.09535	1.4
117.03410	2.6
119.04955	5.0
120.04484	1.8
120.08108	3.0
121.06503	1.6
122.06016	12.6
123.04420	1.7
124.05188	1.5
125.06020	1.7
127.03902	4.4
131.04889	1.5
133.06517	1.9
133.10118	1.6
134.06039	2.1
134.09650	1.3
135.08099	2.9
136.07574	7.7
136.73465	1.3
137.02335	1.8
137.05977	2.9
140.07074	4.5
141.04091	3.2
142.04855	4.4
143.05644	100.0
145.02844	6.1
145.10135	1.7
146.06018	3.5
146.09688	2.5
147.04414	5.7
148.07608	5.4
149.05988	2.2
149.09567	2.2
153.01823	1.6
157.10220	1.4
161.05978	2.0
162.05551	1.5
162.09158	9.1
163.03986	1.6
163.07510	1.7
164.07082	2.4
166.08601	1.9
167.07004	8.3
169.03615	1.7
172.07578	2.4
174.05510	2.9
175.03925	7.2
175.74706	1.4
177.05444	12.4
180.10223	3.9
180.98770	1.4
181.05095	1.8
186.09038	1.7
188.07184	1.4
190.04909	2.5
190.08716	2.3
199.08585	1.8
200.07069	2.2
204.06546	2.9
206.08131	1.6
207.06551	12.0
208.06844	2.2
208.09709	11.6
208.11447	1.8
209.10419	1.6
210.09290	1.8
210.11360	1.6
211.08638	3.3
211.12260	2.5
213.10231	4.5
223.08635	4.0
223.12338	5.2
224.13004	1.9
225.10201	18.4
225.13812	3.9
226.11020	3.9
227.08167	5.6
227.11835	7.6
229.09798	1.5
235.08685	4.0
236.09525	5.5
237.10240	22.4
237.13734	6.6
238.10985	13.7
239.08118	2.3
239.11775	24.3
240.12576	9.8
241.09747	4.1
241.13382	4.6
241.44965	1.5
243.11255	4.1
244.09665	1.3
247.12247	1.8
248.09416	3.2
249.10229	15.0
249.13774	1.5
250.10976	16.7
251.08063	3.9
251.11800	56.4
252.12550	12.9
253.09766	5.5
253.13376	30.7
254.14084	6.5
255.11223	2.8
257.12842	2.5
261.10129	1.6
262.10999	1.9
263.11819	23.8
264.09116	4.9
264.12552	9.7
265.09793	18.0
265.13370	51.8
266.10568	6.6
266.14154	16.2
267.11554	9.1
267.14752	10.7
268.15753	2.0
269.09305	3.8
269.12799	3.7
271.05954	4.1
271.10812	2.1
275.11877	4.3
276.12650	2.0
277.09955	9.2
277.12988	7.1
278.10449	12.6
279.11298	37.9
280.12140	10.3
281.09933	2.0
281.12848	11.9
283.10834	9.4
283.13904	1.9
284.11652	2.0
285.12338	3.3
287.05478	10.3
291.11383	15.0
291.14539	2.9
292.11960	5.3
293.09485	2.1
293.12820	42.3
294.13708	7.5
295.10782	7.5
295.14420	14.6
296.11478	4.6
297.12393	14.8
298.13116	4.1
299.14139	8.6
301.13303	2.0
303.11276	3.9
305.12769	4.1
307.10739	5.5
309.12305	14.2
310.13049	3.7
311.10278	1.8
311.13870	37.4
312.14709	4.7
313.12259	2.3
313.15479	13.5
319.10727	6.4
320.11475	2.1
321.08792	1.7
321.12393	32.5
322.13019	1.8
323.10278	2.1
323.14047	4.6
324.10986	3.8
325.11658	4.6
329.16159	1.6
335.13937	1.8
336.14642	1.6
337.11871	9.2
338.12564	5.3
339.13623	21.1
340.13947	1.5
341.15341	3.8
342.15976	1.9
344.13989	3.1
351.13336	3.6
352.14020	1.6
353.15042	11.4
354.16019	1.7
355.16583	4.0
357.14658	3.8
359.16162	2.8
360.16891	1.9
365.15176	1.9
368.17615	1.8
369.14386	5.7
369.18442	1.8
371.16199	9.1
372.17020	2.8
374.18735	2.0
375.12772	4.4
377.14908	1.8
381.14413	6.6
383.15720	2.7
386.18793	2.5
389.14291	1.6
395.16083	3.4
400.16470	2.1
407.15921	2.8
411.15594	3.0
413.17126	5.0
414.18069	6.8
416.19513	3.2
419.15961	7.6
421.17700	3.1
423.15622	5.5
425.17184	2.2
432.19250	4.4
434.20819	1.9
435.15451	5.6
437.17047	23.3
438.17490	2.7
439.18735	4.0
440.15723	2.4
441.16644	6.7
442.17694	5.5
443.18164	3.7
445.14221	2.1
447.15524	12.1
451.14993	3.1
453.16534	5.8
454.17114	3.3
455.18188	35.2
456.18851	3.7
457.19485	3.3
458.16934	1.9
460.18542	6.2
463.15057	9.2
464.15552	2.9
465.16592	33.8
469.16040	2.3
473.19220	1.7
474.19763	2.1
476.22421	1.6
481.16052	9.8
482.16846	7.5
483.17587	41.9
490.19742	3.5
492.21051	3.0
497.19025	6.0
498.21085	1.5
502.19708	5.2
513.18713	5.1
515.20276	17.0
522.22333	1.5
534.22150	3.9
540.21283	2.7
542.22601	5.3
550.20648	4.2
558.22064	5.6
560.24219	11.7
568.21008	15.2
570.22821	2.3
576.23242	3.6
578.24921	4.4
586.22095	33.8
587.22345	1.9
588.23108	3.3
597.22357	3.2
600.23505	11.7
602.22192	2.9
604.22943	78.3
606.24353	4.2
607.21198	1.9
611.24615	2.8
615.21893	1.7
616.22644	12.1
618.24225	10.5
619.24866	2.0
620.22626	2.0
624.25122	5.3
625.22620	9.9
629.25537	4.2
634.24060	13.8
636.25507	27.0
638.23688	2.5
647.24152	3.1
650.23462	1.9
652.25116	14.0
653.24042	2.5
670.25970	2.0
671.26758	4.0
675.30249	1.8
685.25323	3.2
693.28723	4.9
709.28503	2.6
711.29633	3.9
719.26831	11.5
727.29730	2.7
728.26465	1.9
729.31799	2.2
737.28131	24.6
741.30719	6.1
745.30420	2.4
746.15399	2.6
746.27905	44.1
747.28369	2.0
751.28967	4.2
755.29315	11.8
759.30792	1.8
766.30365	5.8
769.31110	8.1
773.30237	13.7
775.29138	1.6
776.28308	2.6
792.26239	4.0
793.30591	2.0
794.29987	12.1
824.28424	6.0
897.33167	5.3
915.35242	49.8
947.37305	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	947.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	6.1
69.03429	5.9
69.07076	2.5
70.06596	1.0
71.05012	1.4
72.29145	0.9
79.05515	2.3
80.05053	1.1
81.03420	9.9
81.07066	1.0
83.04989	1.2
84.08174	1.2
85.02920	5.2
91.05499	7.3
93.07039	2.8
94.06569	6.7
94.37411	0.9
95.04971	3.8
95.08604	2.0
97.02904	4.4
99.04456	1.9
101.40625	1.0
105.07032	2.3
106.06564	2.2
107.04948	2.6
107.08642	1.5
108.08138	8.7
109.02880	5.0
110.06068	1.3
111.04465	1.3
117.07082	1.3
119.04945	3.4
120.08124	4.3
121.02840	1.1
121.06541	1.7
121.10180	1.1
122.06046	16.9
122.09688	1.2
124.07587	1.9
125.02359	1.2
125.05996	1.1
127.03933	4.0
129.06999	1.2
131.04913	1.9
131.08513	1.0
132.08047	1.4
133.06557	1.3
134.06050	4.4
134.09618	1.4
135.04449	1.2
135.08049	1.3
136.07602	10.3
137.02362	1.7
137.06018	3.0
138.09187	1.3
139.03891	1.1
140.07088	4.3
143.05632	7.4
144.08162	1.3
145.02866	4.2
146.06061	5.6
146.09729	1.8
147.04417	2.2
148.07591	8.5
149.05980	2.0
150.09193	1.8
152.07065	3.1
153.01852	20.6
153.05556	1.1
160.07610	2.1
162.09164	5.1
164.07091	2.7
166.08678	3.2
167.07071	7.5
172.03960	2.3
174.05550	3.9
174.09174	2.7
175.03938	3.2
176.06990	2.5
177.05487	6.8
180.10284	3.4
181.04970	1.2
183.02875	1.4
190.05052	2.5
199.08685	2.1
199.12360	1.5
201.10287	2.3
202.08806	1.5
204.06578	3.5
206.08215	2.8
207.06529	5.0
207.08867	1.0
208.09709	6.6
209.10692	1.3
210.09177	1.3
210.11371	2.0
211.08675	2.2
211.12318	1.9
212.09349	1.5
213.10248	4.6
221.10727	2.0
222.11522	2.8
223.08722	7.6
223.12250	6.0
224.09505	3.3
224.13074	1.6
225.10236	19.0
225.13911	3.0
226.10954	5.0
227.08159	2.9
227.11761	7.4
229.13458	1.4
232.09879	1.7
235.08614	6.0
235.12383	2.5
236.09326	5.3
236.13072	2.1
237.10246	20.1
237.13788	5.0
238.11021	14.4
239.08159	2.5
239.11807	27.1
240.12535	5.2
241.09784	3.5
241.13351	3.7
243.11282	2.2
247.12354	2.3
248.09348	2.3
248.13113	1.4
249.10249	17.8
249.13916	2.4
250.10991	17.6
251.08105	5.9
251.11807	59.6
252.08902	2.3
252.12514	13.3
253.09668	5.7
253.13373	20.0
254.14127	2.6
255.11363	2.4
259.10883	2.3
262.11111	2.9
263.08694	1.7
263.11798	31.1
263.14444	1.7
264.09018	5.1
264.12582	10.0
265.09796	18.6
265.13412	56.2
266.10696	9.0
266.13834	7.8
267.11380	10.9
267.14661	6.7
268.12024	2.5
269.09467	2.3
269.12823	3.3
271.10733	1.6
275.11786	3.6
276.12665	2.2
277.09842	8.4
277.13049	6.2
278.10461	13.8
279.11292	52.8
280.09302	1.7
280.12061	10.3
281.09641	2.2
281.12845	15.4
282.13605	1.8
283.10861	9.0
283.14041	2.1
284.11694	2.5
285.07632	1.2
285.12546	5.6
286.13272	1.2
287.05573	5.9
287.11646	1.6
289.13275	2.0
290.10519	2.3
291.11313	15.7
292.12051	6.2
293.09488	1.8
293.12799	32.6
294.13589	5.0
295.10818	6.7
295.14459	9.5
296.11514	6.3
297.12366	19.2
298.13437	5.4
298.16113	1.2
299.14011	10.8
301.13351	1.3
302.10587	1.2
303.04880	1.1
303.11346	3.4
303.14859	1.1
304.12204	1.2
305.09222	2.7
305.12930	3.0
306.10278	1.9
306.13654	1.4
307.11014	5.9
307.14252	1.9
308.11707	1.9
309.12363	17.1
310.13013	5.8
311.10269	2.6
311.13892	39.0
312.14468	4.7
313.07080	1.2
313.15643	5.5
317.12857	2.3
319.10785	8.4
319.14050	2.2
320.11523	1.9
321.12317	21.8
322.13028	1.8
323.10352	1.7
323.13950	4.0
324.11230	1.9
324.14749	1.7
325.11835	2.9
325.15631	2.7
327.13864	2.0
331.14011	1.7
333.12213	1.0
335.13837	1.9
337.11932	5.7
337.15347	1.2
338.12607	3.0
339.13513	14.1
340.14334	1.7
341.15115	6.0
343.13660	1.2
344.14023	3.4
344.17755	1.6
351.13394	4.3
353.14957	14.5
355.16449	3.3
356.13663	1.5
357.14816	2.5
358.15628	3.7
359.16171	1.1
360.16962	2.1
369.14557	9.1
370.15384	3.1
371.16113	23.3
372.16934	5.2
375.13538	1.8
377.15027	1.4
378.02371	1.1
381.14429	3.2
383.15967	3.8
384.17065	2.0
386.18839	3.3
389.14880	2.0
393.14426	2.9
395.16226	2.8
396.16986	1.4
397.14587	1.6
399.15738	2.3
400.16544	4.3
401.16632	1.1
402.18152	1.5
405.14224	1.5
407.16373	1.5
411.15625	3.5
412.16528	1.8
413.17310	6.9
414.18188	7.0
415.18726	2.0
416.19763	3.5
417.14835	1.5
419.16080	2.0
423.15552	3.3
425.17014	2.3
427.18198	1.2
429.16101	1.4
430.17636	1.6
431.12671	1.5
432.19354	6.7
435.15656	4.6
436.16110	1.8
437.17215	9.6
438.17944	1.2
439.19083	2.0
440.15994	2.9
441.16568	6.0
442.17398	5.6
443.12363	1.7
443.18109	1.6
444.19165	1.2
445.14218	1.5
447.16116	2.2
451.15051	2.8
453.16467	10.7
454.17303	2.4
455.18182	14.1
456.19055	1.3
460.18869	5.9
462.20834	2.1
463.14890	5.5
465.16803	10.2
466.17102	1.9
469.16156	2.0
471.17566	2.3
473.13373	2.2
474.20428	8.4
479.18036	2.1
480.20731	1.6
481.15936	10.7
482.16727	3.0
483.17773	18.8
484.18356	3.3
485.19174	2.9
491.14523	1.5
492.21472	9.4
494.22354	2.5
495.17615	2.8
496.18393	1.4
497.19397	10.0
502.19650	2.3
504.21671	1.2
512.22345	1.4
513.18835	13.8
514.19476	3.1
515.20374	33.4
516.20642	2.9
522.22394	2.5
530.22736	1.3
534.22339	11.7
540.21350	3.9
542.22821	3.5
556.20789	2.3
558.22314	4.4
560.23492	3.6
568.20947	8.6
570.22601	1.6
572.23743	1.3
574.21979	3.0
576.23785	2.5
583.25305	2.3
586.21899	22.2
587.22858	1.7
588.23584	9.3
592.23346	2.0
594.24805	1.6
600.23480	36.9
601.24347	12.0
602.24518	2.2
604.22913	31.5
606.24475	13.2
607.19061	1.8
615.27753	3.2
617.17981	1.5
618.24518	49.3
619.25244	19.2
620.26331	6.5
622.23938	5.0
624.25549	10.8
635.18585	4.2
636.25543	100.0
637.26080	8.6
638.26733	1.4
643.26434	1.4
651.18225	1.5
653.20142	4.9
654.25861	1.6
655.27307	2.0
656.27405	2.1
667.20532	2.6
675.30298	3.2
681.28644	3.3
685.22534	15.3
691.27277	4.0
709.28772	15.7
723.30194	22.0
727.29926	5.0
741.31366	34.0
742.31342	1.7
745.31158	7.7
756.23816	1.3
759.32178	4.9
774.25104	35.3
777.33490	5.0
788.26837	5.2
792.26624	5.7
806.27820	20.7
824.29352	4.3
915.32489	4.5
928.28467	1.2
947.33502	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	947.353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	11.1
69.03425	9.9
69.07070	6.6
71.04996	2.9
71.61150	4.0
79.05505	6.3
81.03426	19.1
81.07063	6.2
85.02904	8.1
91.05476	21.3
93.07031	10.4
94.06573	8.4
95.04976	8.8
95.08600	4.0
95.95770	2.2
97.02885	11.0
97.06555	2.3
101.02393	2.0
103.05451	3.9
105.07026	6.6
106.06565	3.6
107.04943	4.8
107.08593	4.7
108.08124	12.1
109.02881	10.3
111.08053	5.0
117.06998	4.7
119.04945	9.7
119.08585	6.9
120.04437	2.7
120.08116	6.2
121.06458	4.4
121.10072	2.6
122.06017	21.4
123.04422	4.9
124.07593	2.8
125.02304	2.7
125.06051	2.4
127.03927	11.7
129.07030	2.5
131.04903	2.6
131.08585	4.0
132.24600	2.0
133.10147	4.2
134.06038	6.0
134.09677	5.7
135.04468	2.6
135.08029	3.5
136.07579	19.7
137.02351	5.4
137.05971	12.9
137.09645	2.6
138.09148	3.3
139.03835	2.8
140.07063	11.5
142.04759	2.1
143.05647	28.4
145.02834	11.1
145.10083	4.0
146.06004	6.0
147.04414	12.3
148.07581	10.8
149.05998	3.6
150.09164	3.3
151.03880	6.0
151.07599	3.2
152.07124	3.9
152.10742	2.4
153.01813	11.1
160.07613	5.5
161.05983	3.8
162.09137	26.3
163.03938	5.7
163.07562	3.4
164.07077	7.3
165.05496	3.5
166.08679	4.3
167.07051	19.9
172.03909	4.3
172.07535	3.9
174.05569	4.0
174.09152	3.3
175.03908	17.0
176.07027	2.9
177.05467	29.5
178.08589	2.4
180.10219	18.7
181.05040	4.3
187.08675	4.0
190.08623	4.8
198.09198	2.5
199.08762	5.1
201.10396	4.5
204.06581	4.5
207.06534	24.6
208.09709	36.7
209.10774	2.3
210.11530	2.7
211.12346	3.0
213.10277	4.6
213.13309	2.9
215.08214	2.4
215.11766	5.3
216.09004	3.6
220.09729	2.5
221.10628	3.1
223.08667	7.8
223.12306	7.9
225.10260	22.5
225.13766	3.7
226.11015	5.0
227.08208	9.5
227.11691	10.2
228.06435	2.1
229.09764	12.0
235.08740	5.9
235.12390	3.5
236.09444	6.5
236.13020	3.2
237.10207	21.4
237.13887	6.2
238.11037	17.4
239.11792	26.2
240.12521	8.1
241.09746	6.0
241.13351	6.4
243.11275	8.2
247.12518	2.4
248.09271	3.8
249.10194	17.5
250.10968	22.3
251.08003	7.2
251.11795	64.9
252.12581	12.2
253.09773	8.2
253.13297	15.8
254.14052	2.5
255.11285	6.3
259.10956	2.6
261.12454	2.6
262.10995	3.7
263.11813	34.4
264.08963	4.0
264.12451	11.0
265.09753	19.5
265.13385	61.9
266.10858	10.2
266.13684	11.4
267.11261	15.5
267.14841	7.2
268.11935	3.1
269.09412	3.3
269.12808	5.5
271.05945	5.1
271.10675	5.1
275.11819	3.6
277.09781	10.1
277.13309	5.2
278.10611	8.8
279.11252	53.8
280.11935	10.6
281.09888	2.8
281.12878	15.8
282.13559	3.3
283.10757	7.8
284.11496	3.7
285.12302	8.0
287.05515	17.7
287.14047	2.7
289.11969	7.5
291.08368	3.1
291.11316	17.4
292.11975	8.9
293.12836	36.7
294.13437	5.4
295.10706	10.0
295.14377	12.2
296.11673	4.8
297.12347	20.1
298.13196	6.2
299.13922	9.8
300.02420	2.7
301.07343	3.9
303.11072	3.1
305.12723	3.1
307.10760	6.4
309.12439	15.3
310.12964	7.5
311.10422	1.9
311.13852	46.4
312.14624	5.2
313.12042	2.7
313.15414	8.6
319.10782	9.0
320.11227	3.4
321.12265	22.4
322.12875	3.4
323.10086	3.2
323.13812	4.5
325.11911	4.9
325.15451	3.9
331.08176	4.3
337.11765	7.7
338.12430	2.8
339.13470	18.2
341.14645	4.1
344.13992	4.3
351.13242	8.7
353.15198	11.1
355.12488	3.7
356.14035	2.5
357.14487	4.9
358.15503	6.4
367.11975	6.5
369.14667	8.0
370.15558	3.5
371.16074	21.3
372.17047	5.1
387.15268	3.9
395.16150	3.7
400.16476	5.2
409.17804	2.7
411.15732	4.5
413.17035	7.1
414.18250	5.8
415.14761	4.0
417.14539	2.8
429.15628	2.8
432.19107	7.5
435.15518	3.7
437.16861	10.2
441.16574	4.9
442.17728	6.6
445.16101	12.0
447.16333	8.3
453.16483	9.8
455.18491	12.2
460.18494	7.1
462.19934	3.5
463.15228	6.4
464.15973	2.8
465.16605	18.2
474.20032	8.8
478.19766	3.0
479.18353	3.3
480.21747	4.4
481.16043	9.3
482.16611	3.1
483.17560	23.9
484.17996	3.5
485.19379	3.4
492.21255	7.9
494.22794	4.1
495.17572	5.7
497.19174	19.8
513.18768	18.4
514.19604	3.4
515.20294	38.1
516.20776	4.0
534.22540	15.2
536.20166	3.4
540.21307	5.7
542.22705	5.1
550.21002	3.0
558.22559	3.6
560.23315	5.1
568.22107	19.3
576.23145	4.7
586.22540	36.5
588.23077	12.9
594.24561	4.7
600.23322	52.0
601.24384	9.7
602.23749	5.4
604.22937	28.8
605.23511	5.2
606.24817	17.3
618.14423	2.9
618.24451	55.8
619.25348	20.0
620.25171	8.6
621.25525	3.3
622.23798	10.0
624.25525	6.6
636.25543	100.0
637.25806	12.2
638.26019	8.7
652.24670	4.3
653.19891	4.6
654.25873	3.9
675.30298	4.2
681.29352	3.5
685.23132	8.6
691.28186	6.5
708.23553	4.3
709.28662	24.2
723.30255	24.6
725.29974	3.1
727.29102	10.4
740.26379	17.4
741.31244	33.2
743.29956	3.7
745.29755	6.3
755.29077	4.1
757.30219	2.8
759.32507	5.2
761.30737	2.9
772.26556	2.3
773.30609	2.9
774.25360	28.0
775.32227	4.1
777.32916	8.0
788.26514	3.1
792.26086	5.8
793.31952	4.8
806.27777	9.6
897.32513	3.8
915.33984	6.6
947.32996	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	941.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99772	0.3
69.03424	1.0
69.35871	1.0
71.01359	0.1
71.04983	0.2
73.02923	0.1
73.04040	0.2
79.05492	0.1
81.03416	1.4
83.02451	0.1
83.04977	0.1
85.02901	1.2
87.00814	0.3
87.06711	3.3
91.05476	3.7
95.04942	0.2
97.02898	1.5
99.04423	0.5
101.03513	0.1
105.01855	0.1
105.07049	0.1
109.02875	1.9
111.04443	0.2
111.06673	0.2
113.03897	0.1
113.04580	0.6
114.03017	0.2
116.04518	0.1
123.04404	0.2
125.02370	0.2
125.03428	0.2
125.04566	0.2
126.03001	0.3
127.03914	2.0
129.01840	0.2
135.05551	0.1
137.05959	0.2
141.01799	0.2
141.04060	1.7
142.04834	0.6
143.05634	100.0
144.05957	0.3
145.04953	0.4
147.03081	0.1
147.04396	0.1
151.03775	0.1
155.05647	0.4
159.02885	0.1
167.05649	0.6
167.07069	0.3
169.05801	0.1
177.05458	0.1
181.04933	0.1
185.06683	1.7
191.05624	0.1
193.02438	0.1
195.02831	0.1
206.27025	0.1
207.06587	0.2
209.06686	0.4
213.03906	0.4
221.06664	0.1
231.05006	0.2
233.06706	0.4
233.10397	0.3
251.07838	0.5
262.91101	0.1
267.11356	0.1
269.08752	0.3
287.09869	0.1
305.10919	1.6
321.05908	0.1
334.47675	0.1
337.07913	0.2
339.07245	0.2
355.08823	0.1
357.08044	0.3
373.09860	1.7
391.10788	0.3
433.11963	0.7
445.09720	0.1
463.11032	0.3
481.11890	0.6
499.13080	5.5
517.14069	4.5
518.14545	0.1
535.15161	10.6
536.15619	0.2
625.19458	0.1
650.10291	0.1
654.64160	0.1
661.18677	0.1
697.19971	0.5
779.22217	0.3
941.29468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	4.8
67.05509	76.7
69.03437	16.0
69.07066	37.8
71.04986	10.7
71.61314	5.4
73.02919	5.0
79.05496	79.4
81.03416	89.6
81.07059	100.0
83.04975	28.1
83.08624	39.0
85.02911	50.1
85.06548	8.8
91.03947	9.6
91.05477	91.1
93.07042	84.9
95.04975	42.5
95.08604	33.0
97.02887	22.2
97.06544	25.3
97.10158	28.3
99.04448	4.9
105.07033	69.9
107.04979	18.4
107.08604	43.8
109.02824	3.4
109.06517	16.6
109.10170	22.9
111.04456	4.4
111.08083	15.9
113.05968	4.5
115.05445	6.3
116.06207	4.5
117.07011	26.9
119.08590	55.7
121.06520	9.9
121.10146	35.8
123.08043	8.8
123.11678	6.3
125.06087	3.0
125.09652	17.4
127.03921	4.5
129.06996	19.6
131.08571	37.1
133.06480	6.3
133.10132	42.4
135.08099	7.0
135.11681	12.8
137.09660	5.7
141.07051	3.4
142.07776	8.3
143.08575	7.0
145.04959	4.4
145.10115	26.0
147.08055	7.6
147.11697	34.3
149.09613	31.5
149.13228	11.4
153.09117	3.3
155.08618	5.1
157.10158	26.6
159.11716	17.4
161.13222	8.5
163.11176	9.8
171.11720	7.1
173.04454	5.7
173.11879	3.6
173.13269	6.7
175.11224	20.4
177.12796	6.7
178.21617	3.1
185.13281	4.0
187.11192	4.0
189.11206	12.1
193.12236	59.7
207.06425	4.2
211.13278	88.9
227.12773	37.1
229.14386	5.8
229.19514	6.0
239.17921	4.9
245.13676	5.2
253.88753	3.6
255.15808	5.2
257.19092	17.0
267.15921	56.6
269.17462	24.1
275.20065	59.5
275.23093	4.1
283.15601	4.5
285.17010	88.2
288.60074	3.9
293.21063	5.5
309.10275	3.2
331.22668	5.9
349.23743	66.6
367.24844	3.5
439.26791	10.9
447.27493	7.8
455.26474	6.5
461.29034	36.3
463.30304	3.8
465.28546	14.1
479.23462	5.7
479.30112	87.8
518.30060	3.9
541.35352	49.1
559.36285	91.8
577.37195	11.6
623.33789	6.0
754.07306	3.4
936.52600	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	935.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.0
67.05493	1.9
68.99798	0.4
69.03428	3.4
69.07052	0.4
70.06601	0.9
71.04993	0.9
71.60406	0.6
73.02909	0.5
79.05492	1.1
81.03424	4.3
81.07046	2.1
83.04983	0.9
84.08128	0.7
85.02913	2.6
87.06718	4.4
89.03915	1.4
91.05487	6.7
93.07047	5.4
94.06567	1.9
95.04964	3.3
95.08596	1.8
96.04467	0.7
97.02897	2.4
99.04425	0.8
103.05453	1.2
103.99873	0.4
105.07020	1.8
106.06568	0.5
107.04936	1.1
107.08607	1.1
108.08137	2.7
108.19259	0.4
109.02260	0.5
109.02872	3.4
109.06500	1.2
109.10156	0.6
110.06017	0.6
111.04442	0.5
111.08100	2.6
113.05995	0.4
115.05460	0.5
117.03394	2.9
117.07011	1.3
119.04933	1.6
119.08567	1.2
120.08091	1.1
121.02884	2.0
121.06497	1.7
121.10099	0.7
122.06030	2.6
122.09673	0.5
123.04455	1.1
124.07600	1.1
125.82914	0.5
126.21048	0.4
127.03931	2.7
129.06894	0.5
131.04919	1.1
131.08479	0.5
132.08076	0.7
133.06424	0.9
134.05965	0.6
134.09642	3.3
135.04422	1.0
135.08046	1.4
135.11678	0.6
136.07574	5.7
137.05969	6.3
137.09634	0.5
138.05481	0.9
138.09125	0.8
140.03400	0.5
140.07048	1.0
141.04091	1.5
142.04845	2.0
143.05643	100.0
144.05977	0.9
145.02846	7.5
145.06364	0.5
146.09666	0.8
147.04370	2.2
147.06880	0.5
147.11772	0.5
148.07605	1.6
149.05966	1.9
150.09145	1.7
152.10643	2.2
154.08662	0.7
158.09576	0.5
159.09161	0.6
160.07541	1.2
161.05986	2.0
161.10750	0.9
162.09137	20.6
163.03946	0.8
163.07509	1.6
163.09538	0.5
164.07065	0.6
166.08595	0.7
167.07047	4.0
171.09148	1.0
172.07652	0.9
173.10754	1.1
175.03902	1.8
175.07501	0.7
177.05472	17.2
178.05812	0.7
178.08591	0.4
179.07034	1.2
180.10201	14.7
181.04910	0.8
184.07625	0.6
185.06767	0.9
185.10727	0.7
186.05585	0.5
186.07784	0.7
186.09236	0.8
187.08699	1.0
188.07111	0.8
188.09402	0.5
189.10281	0.9
190.08644	2.9
191.07039	1.1
193.08606	1.3
195.09000	0.5
196.11234	0.5
198.09097	1.3
199.08755	1.5
199.12297	0.6
200.07072	0.4
200.09349	0.9
201.06697	0.8
201.10249	5.3
203.07054	1.2
207.06531	3.2
208.09683	25.3
210.09309	0.5
211.08801	0.9
213.06660	2.5
213.10210	3.1
214.08925	0.6
215.08255	4.7
215.11768	4.2
216.08823	2.8
223.12158	0.5
224.10788	0.5
225.10188	1.9
226.08673	1.0
226.10704	0.7
227.08180	7.4
227.11618	2.3
228.06618	0.6
228.08733	0.7
229.09744	9.2
237.10277	0.9
238.10878	0.6
239.08119	0.9
239.11832	1.6
241.09735	4.7
241.13246	0.5
242.10443	1.3
243.11282	6.0
244.11916	0.8
245.09158	1.1
245.12767	1.7
247.10661	0.9
251.08061	1.3
251.11819	1.4
252.08691	0.5
253.09758	3.4
253.13217	0.5
255.08092	0.5
255.11333	1.6
257.09210	0.6
259.10632	2.2
261.07602	2.2
261.12415	1.9
263.11633	0.6
263.14029	0.7
265.09570	1.3
267.11218	1.8
269.09192	3.3
269.12772	1.1
271.06104	3.1
271.10754	7.3
273.08591	0.6
273.12329	0.7
277.09644	0.6
277.13101	0.6
279.11234	1.7
280.11954	0.5
281.09103	1.1
283.05972	2.5
283.10837	1.4
284.06805	2.0
285.08295	1.0
285.12234	1.2
286.12646	0.7
287.05423	1.3
287.10159	3.1
287.13046	0.5
289.11868	7.9
290.13135	0.5
291.11078	0.7
293.09250	1.0
293.12708	1.1
295.06003	3.1
295.10776	2.0
295.14090	0.6
297.12219	1.3
299.10361	0.7
299.13852	0.5
301.11887	0.8
303.13577	0.7
305.10898	0.7
307.05991	0.7
309.07730	0.9
309.12076	0.6
311.10437	1.0
311.13791	1.0
313.07101	9.6
313.11731	1.3
321.08130	0.6
321.14737	0.7
323.09827	0.6
325.07141	2.4
325.11609	0.8
329.11459	2.0
331.13007	2.4
337.07230	2.2
337.10956	0.7
339.13602	0.5
344.13812	0.6
345.14590	0.8
351.12836	0.6
355.12918	1.0
358.15332	0.7
360.17236	0.5
361.13882	0.9
364.16785	0.8
367.12891	0.8
369.14590	1.2
371.16122	1.0
373.09787	1.3
373.14166	0.8
374.14874	1.0
385.13812	1.8
387.15472	2.8
389.17160	0.8
391.10858	0.9
391.15363	0.8
391.63257	0.5
392.15860	0.7
395.12402	0.7
397.13812	2.2
403.15042	1.3
405.16650	1.1
410.17313	0.7
413.13208	2.2
414.14230	0.6
415.14920	7.0
416.15665	0.6
429.16495	0.5
431.14362	3.0
432.19363	0.8
433.16064	5.2
434.16669	0.8
445.16339	1.0
446.17224	0.6
447.17648	1.4
452.17868	0.8
455.17978	0.6
460.18817	1.0
461.12598	0.7
463.16647	1.5
465.18311	0.7
473.12393	1.4
476.17807	0.8
478.19388	0.7
484.20825	1.1
485.15439	1.0
490.19220	0.7
491.13458	0.7
492.20929	1.1
500.18207	0.9
506.18826	0.6
510.22476	5.1
517.13849	0.6
518.19122	2.7
528.23285	0.6
535.15381	1.3
536.20325	6.2
554.13031	0.7
554.21375	11.4
561.20154	0.7
568.22919	4.0
569.14948	3.3
575.20929	1.3
576.23004	0.8
586.23676	4.4
593.16327	1.1
602.21326	0.8
604.22583	1.7
611.17712	1.1
620.22046	1.3
622.23602	1.9
636.25586	0.7
638.23273	0.7
641.23114	0.9
652.25360	0.6
654.26154	0.8
659.27271	0.9
660.24310	0.9
670.25629	0.6
672.28558	0.5
678.24908	1.4
681.28638	0.8
689.23840	0.6
691.29675	1.0
696.26215	46.0
697.26495	1.5
699.29413	1.1
707.27094	2.7
711.20416	2.5
717.30914	1.3
725.27808	4.3
728.28711	5.2
729.20618	1.2
735.31824	1.1
741.21649	1.1
743.28857	5.1
744.27985	0.7
753.21295	1.2
757.30017	1.6
761.30133	5.3
762.27625	1.1
771.22614	2.0
775.31458	2.2
782.29657	0.7
789.23419	1.2
793.33246	3.1
812.30902	0.6
867.32397	0.8
885.33875	3.2
903.35168	15.1
904.35522	0.8
935.36871	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	935.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03956	0.1
66.13594	0.1
67.05508	0.8
68.99799	0.3
69.03433	0.7
69.07082	0.1
70.06621	0.1
71.61127	0.2
73.04025	0.2
79.05501	0.3
81.03421	0.8
81.07028	0.2
83.04991	0.1
85.02909	0.5
85.06530	0.2
87.06712	3.6
89.03907	1.8
91.05488	0.6
93.07037	0.4
95.04968	0.4
95.08603	1.3
95.54626	0.1
96.29783	0.1
97.02878	0.6
99.04472	0.2
103.05495	0.2
105.07027	0.5
107.04936	0.2
107.08578	0.3
109.02859	0.8
109.10165	0.2
111.06691	0.2
113.04610	0.3
115.05455	0.1
117.03376	3.5
119.04932	0.3
119.08558	0.6
121.02969	0.1
121.06453	0.1
121.10158	0.3
123.08076	0.5
125.02332	0.1
125.04619	0.2
126.02989	0.2
127.03914	1.3
128.06229	0.2
129.01846	0.4
131.04944	0.3
131.08537	0.1
133.06505	0.3
133.10115	0.5
134.03629	0.4
135.04399	0.5
135.07979	0.1
135.11697	0.1
137.05959	0.5
141.04080	1.3
141.07080	0.1
142.04861	0.4
143.05640	100.0
144.05922	0.3
145.02840	11.2
145.10184	0.1
146.03098	0.3
146.97066	0.1
147.04378	0.4
147.08005	0.2
147.11719	0.2
149.05998	1.4
149.09627	0.3
151.03969	0.2
151.07578	0.2
153.06920	0.1
157.06448	0.1
159.08096	0.2
161.13214	0.2
162.09171	0.1
163.03838	0.2
167.05664	0.3
167.07036	1.3
168.07306	0.2
169.10081	0.1
174.06819	0.2
174.10379	0.3
175.03894	0.5
177.05464	19.1
178.05780	0.4
181.06506	0.2
185.06717	0.5
186.05481	0.3
189.05524	0.1
189.09261	0.3
189.12759	1.2
195.08775	0.2
197.06061	0.2
199.07439	0.2
201.05518	0.2
202.01614	0.1
203.06952	0.1
207.06531	0.9
207.13634	0.1
208.06779	0.2
209.06631	0.2
213.03938	0.2
215.07060	0.3
217.08592	0.2
219.06528	0.3
221.04326	0.4
225.05667	0.1
233.08232	0.2
243.06429	0.2
251.07832	0.1
251.11845	0.2
257.08035	0.3
261.07626	1.2
265.13538	0.1
271.05920	0.3
285.07623	1.1
287.05389	0.2
295.10825	0.1
301.80695	0.1
303.08603	0.2
305.10901	2.4
319.10339	0.2
331.17654	0.3
339.10931	0.2
340.11243	0.1
349.18588	0.3
373.05225	0.1
373.09903	2.7
391.10950	0.7
407.09744	0.2
417.15701	0.1
425.10510	0.1
433.12057	2.6
499.13055	0.8
515.11407	0.2
517.14093	3.0
531.03046	0.2
533.12744	0.5
535.15228	0.8
551.13916	1.1
553.16187	0.6
569.15027	3.3
675.17004	0.4
693.18951	1.9
710.83032	0.1
711.19849	5.5
712.20508	0.2
725.26740	0.2
729.20923	3.5
742.28381	0.2
743.28271	0.2
757.30322	0.1
761.29059	0.2
903.34167	0.3
917.32379	0.6
935.33850	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.7
67.05502	11.9
69.03428	9.0
69.07064	6.0
69.54469	0.6
70.18080	2.4
71.01364	1.3
71.04996	0.9
73.02918	8.7
79.05492	8.4
79.17194	0.5
81.03429	3.9
81.07057	11.9
83.01328	0.5
83.04988	1.1
83.08609	3.9
85.02902	21.2
85.06539	0.6
91.03954	11.3
91.05483	8.1
93.07042	10.8
95.04977	2.1
95.08606	11.7
97.02893	17.9
97.03525	0.9
97.06538	1.6
97.10155	2.6
99.04479	1.7
101.02389	3.2
105.07030	7.4
107.04957	0.6
107.08592	5.9
109.02869	2.5
109.06527	0.8
109.10148	4.4
111.04460	0.6
115.03983	0.9
115.05437	0.6
117.07011	5.8
119.08580	7.1
121.10131	4.8
123.08047	0.6
123.11742	1.6
125.09595	1.0
127.03910	5.8
128.06250	1.6
129.05499	0.6
129.07013	5.4
130.07730	0.7
131.08560	6.5
133.10144	5.0
135.08105	0.6
135.11685	2.7
137.09621	0.7
137.13321	1.0
141.06984	2.5
142.07768	1.2
143.08566	7.8
145.04942	3.0
145.10120	6.0
147.11685	2.5
149.13316	1.1
153.06967	0.7
154.07822	1.0
155.08545	6.2
156.09314	0.8
157.10135	7.8
159.08044	0.8
159.11714	4.4
161.13281	1.9
163.06053	1.1
163.14751	0.8
166.07788	0.7
167.08577	3.3
168.09413	0.6
169.10124	8.2
170.10947	0.7
171.11696	6.5
171.12987	0.7
173.13330	2.5
175.14842	1.6
177.16374	0.6
179.08733	1.0
180.09311	0.6
181.10139	5.3
183.11705	7.8
185.13240	5.3
187.14862	1.7
189.16389	0.8
193.10207	1.7
195.11696	4.9
196.12473	0.8
197.10030	0.6
197.13280	6.0
199.14803	2.9
201.16414	0.7
203.18158	0.5
205.10257	0.8
207.11758	2.1
209.13271	5.0
211.14810	5.0
213.16396	1.8
219.11603	1.1
221.13264	2.0
223.14815	3.6
225.16389	2.7
233.13368	0.8
235.14920	1.5
237.16437	2.7
239.17966	1.8
249.16481	1.8
251.17957	1.3
253.19640	1.3
259.20490	0.6
261.16217	0.9
263.17920	0.8
277.19489	0.6
299.09686	0.5
313.21277	0.7
316.55783	0.6
323.23602	1.2
325.25281	1.0
327.23141	0.9
337.25333	1.1
349.00458	0.6
351.27103	0.6
351.53979	0.6
365.28439	1.0
408.02548	0.5
435.31882	0.6
447.32813	0.9
459.30618	0.7
499.39383	0.8
501.35687	1.0
517.40613	3.6
527.37500	1.2
535.41284	1.5
539.37659	1.1
541.39392	1.2
591.44202	4.6
607.43829	2.7
609.45123	100.0
610.45404	2.0
621.44940	2.1
633.45435	1.1
651.46289	1.4
673.94415	0.6
675.45807	0.8
699.46814	0.8
717.47021	2.1
735.48315	2.1
753.49438	3.5
771.50360	27.8
772.51837	1.0
933.55896	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	931.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	7.2
69.03417	4.1
69.07073	4.0
69.56887	1.4
70.06591	2.1
73.02906	1.3
76.98819	1.4
79.05508	5.0
81.03427	9.4
81.07043	3.4
83.04992	1.9
83.08619	1.3
85.02914	3.8
91.05476	6.2
93.07040	5.1
94.06568	3.7
95.04953	3.1
95.08616	2.5
95.89970	1.3
97.02886	4.4
97.06524	2.0
103.05511	2.0
105.07027	4.4
107.04929	1.8
107.07253	1.9
107.08629	2.1
108.08137	6.0
109.02885	5.4
109.06525	2.4
109.10159	1.6
110.06046	1.6
115.52819	1.4
117.03368	2.1
117.07036	1.8
119.04932	5.1
119.08598	3.3
120.04448	2.5
120.08119	3.9
121.06496	1.9
121.10136	2.0
122.06042	14.0
123.04459	1.5
123.11672	1.6
124.07603	2.6
127.03925	6.4
132.08078	2.2
132.21825	1.4
133.06502	1.4
133.10144	2.9
134.06020	2.8
136.07562	8.4
137.02357	8.2
137.05991	4.5
140.07111	4.3
143.05641	25.8
145.02870	4.8
145.10205	2.3
146.06049	4.5
146.09657	2.0
147.04375	7.4
147.11656	1.8
148.07608	6.2
151.03922	1.8
152.07175	2.0
157.03874	1.3
157.10193	1.6
159.11717	1.8
162.09158	2.8
163.03978	2.0
164.07115	3.9
166.08624	3.4
167.07060	10.1
172.03972	2.1
174.05539	2.6
174.09164	2.1
175.03964	4.3
176.07162	1.9
177.05504	10.5
187.11116	1.6
190.08617	1.4
198.09198	2.1
199.08789	2.5
200.10779	1.3
204.06554	3.1
206.08170	2.3
207.06522	11.5
208.06900	1.8
208.09746	2.8
210.11433	2.6
211.08649	3.2
213.10289	3.4
222.11482	3.0
223.08644	6.9
223.12320	4.3
225.10205	15.3
225.13808	3.3
226.08931	1.4
226.11015	3.1
227.11839	5.9
232.09813	1.8
234.11417	2.2
235.08708	4.2
235.12286	3.2
236.09428	6.0
237.10280	13.0
237.13829	4.9
238.10901	8.1
239.08170	2.5
239.11769	19.1
240.12624	4.9
241.09628	2.5
241.13441	2.6
243.11310	5.9
248.09412	3.4
249.10193	12.0
250.10948	14.3
251.08110	4.3
251.11786	42.9
252.12483	9.3
253.09700	4.5
253.13402	11.7
255.11201	2.0
263.11777	26.5
264.08862	2.5
264.12469	6.4
265.09781	12.7
265.13376	49.5
266.10474	7.2
266.14020	4.2
267.11328	6.0
267.15054	5.3
269.09006	1.9
269.12918	3.1
271.06058	2.9
274.10971	1.5
275.11768	3.2
277.09821	7.2
277.13342	4.7
278.10373	7.4
279.11279	40.3
280.12039	6.3
281.12946	8.2
283.10730	7.0
285.12396	8.7
287.05490	4.2
289.13470	2.0
291.11298	9.1
292.11816	3.6
293.12802	24.9
294.13681	3.1
295.10803	3.5
295.14374	7.3
296.11627	3.9
297.12326	14.2
298.12985	6.0
299.14001	4.7
305.12778	2.5
307.10818	3.5
307.14301	2.0
309.12305	15.0
310.13049	5.4
311.13870	31.0
312.14569	2.8
313.15244	1.9
317.12689	2.3
319.10794	3.8
321.12366	13.6
323.13931	3.7
325.11624	2.0
335.13824	1.6
337.11798	4.1
337.15515	1.7
338.12518	3.2
339.13589	8.5
341.15082	3.4
344.14041	3.0
345.14935	1.8
347.14044	3.2
351.13495	4.5
352.14209	3.1
353.15033	11.5
354.15930	1.9
355.16888	1.9
356.13959	2.8
357.14734	3.2
358.15311	2.8
369.14603	8.7
370.15411	2.5
371.16016	19.8
372.17114	4.1
379.16742	2.4
381.14441	3.6
386.18869	2.1
395.16373	1.9
398.14935	1.9
400.16290	2.1
401.17087	2.1
411.15808	4.7
413.17169	7.1
414.17932	5.3
416.19888	2.5
419.15939	2.5
421.17807	2.1
423.15610	1.8
429.16504	1.9
430.17868	2.0
432.19141	4.7
435.15692	3.5
437.16983	7.5
440.15897	3.6
441.16592	6.2
442.17529	4.8
443.18292	1.6
447.16470	2.8
453.16727	6.7
454.16977	2.7
455.18124	10.7
460.18588	5.6
463.14975	2.5
465.16663	5.0
474.20145	7.2
479.18167	2.5
481.15869	7.4
482.17017	2.7
483.17545	12.0
492.21194	11.4
494.22641	3.0
495.17380	2.7
496.18112	1.8
497.19571	7.4
513.18817	15.3
515.20300	34.1
534.22253	15.3
540.20972	4.8
542.22772	6.0
558.22339	4.9
560.23895	2.2
562.21246	1.9
568.20880	9.7
576.23077	4.4
583.24042	2.0
586.21796	18.1
587.22430	3.0
588.23242	6.5
594.24200	3.8
599.16272	1.6
600.23370	45.9
601.24280	14.7
602.24133	3.2
604.22717	23.4
606.24451	2.8
615.28503	2.7
618.24432	39.1
619.25305	28.9
620.25897	6.7
622.23688	8.0
624.25421	2.2
636.25446	100.0
637.26501	6.9
654.26392	2.5
655.26398	2.0
669.22736	4.3
689.56921	1.8
691.27325	4.9
709.28973	12.6
723.30084	33.5
727.29175	6.4
741.31219	25.7
742.31256	1.9
745.30432	5.7
758.25092	4.4
759.31372	4.6
772.26678	1.8
776.25995	3.4
777.32135	5.4
790.27759	4.5
808.29260	1.7
853.97223	1.7
899.33228	2.3
930.50281	2.0
931.33661	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	931.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.6
67.05499	5.3
67.06975	1.3
69.03423	5.3
69.07068	3.0
69.87928	1.3
70.39205	5.2
71.04996	1.5
73.02922	2.0
79.05486	2.9
81.03410	14.8
81.07043	2.4
83.04942	2.1
85.02909	8.2
91.05468	5.9
93.07053	4.1
94.06567	7.4
95.04990	4.2
97.02891	5.6
99.04423	2.0
105.07034	3.0
106.06565	1.8
107.04947	2.2
108.08102	12.0
109.02862	6.8
110.09627	1.5
111.04423	1.7
119.04904	3.5
120.08093	5.0
121.06422	1.7
122.06025	20.1
124.07568	2.5
127.03891	5.7
131.04855	1.3
134.06006	5.5
136.07607	9.4
137.02342	45.2
137.03401	2.3
137.05994	5.6
140.07069	6.7
143.05621	11.4
145.02831	2.7
146.05992	5.9
146.09604	1.6
147.04388	2.5
148.07547	11.3
149.09560	1.5
150.09125	2.2
152.07031	3.1
154.08553	1.6
160.07669	2.9
162.09114	4.3
163.03937	1.9
166.08685	3.7
167.07048	9.2
172.03992	2.3
174.05486	6.1
174.09155	2.2
175.03902	4.0
176.07068	4.2
177.05429	6.5
179.03363	3.7
181.04918	2.1
184.11273	1.7
190.04962	3.1
193.08553	1.7
196.07483	1.9
199.08676	1.9
200.07103	2.8
204.06505	3.9
206.08154	2.0
207.06519	9.8
208.09724	6.2
209.10754	2.7
210.09171	1.4
210.11426	2.0
211.08655	3.0
211.12326	4.2
213.10229	2.9
221.10675	2.5
222.11395	2.4
223.08649	9.3
223.12245	9.5
224.09505	2.3
224.13078	2.8
225.10207	25.3
225.13910	4.2
226.10942	2.5
227.11794	8.3
232.09650	1.8
235.08678	7.7
235.12340	4.4
236.09319	8.1
236.13046	2.4
237.10182	24.4
237.13899	4.6
238.10948	15.4
239.11769	24.8
240.12506	4.8
241.09825	1.8
241.13252	3.8
242.08279	3.3
243.11470	1.5
248.09468	6.3
249.10236	21.8
249.12796	1.8
249.13899	1.7
250.10980	17.2
251.08133	5.8
251.11797	67.7
252.08704	1.6
252.12526	13.8
253.09732	4.7
253.13306	18.5
254.08127	1.9
254.14067	2.3
255.11214	4.5
261.10095	3.0
262.11050	3.7
263.08798	2.0
263.11786	31.7
264.08929	5.5
264.12524	10.1
265.09753	20.8
265.13354	52.0
266.10587	12.5
266.13840	7.9
267.11343	11.5
267.14847	8.6
268.12061	2.5
269.12820	5.2
271.10916	1.6
271.14279	1.8
275.11823	4.9
276.12558	4.1
277.09708	14.8
277.13309	8.5
278.10446	13.0
279.11270	100.0
280.12048	13.1
281.12811	20.9
282.13626	2.5
283.10806	10.6
283.14102	2.6
285.12454	4.1
287.05579	4.9
289.09778	1.5
291.11298	20.8
292.12006	9.2
293.12827	33.9
294.10565	1.6
294.13617	6.1
295.10791	7.9
295.14334	11.0
296.05438	1.8
296.11508	5.1
297.12299	20.2
298.13138	5.4
299.13828	7.5
301.13330	2.4
303.11356	2.3
305.09146	4.5
305.12793	3.4
307.10632	5.7
307.14047	2.1
309.12311	15.7
310.12848	8.9
311.13879	42.1
312.14700	3.4
313.12112	2.4
313.15466	4.9
317.09378	2.3
317.12769	2.0
319.10815	11.5
319.14294	2.6
320.11630	3.7
321.12305	25.9
322.12946	1.6
323.10272	1.8
323.13776	4.8
324.14548	2.1
325.11710	3.4
325.15448	2.8
335.13989	2.2
337.11761	8.7
337.15448	2.2
338.12698	2.9
339.13412	17.1
341.15393	2.0
344.14221	3.0
347.13510	1.8
351.13297	4.8
352.14288	2.4
353.15067	9.7
355.16772	2.2
357.12146	2.7
358.15543	2.2
360.17709	1.5
363.13388	2.1
367.16922	1.6
369.15076	7.1
370.15405	2.1
371.16199	18.8
372.16925	5.0
375.13348	1.8
381.14297	4.0
384.17130	1.7
386.18741	3.3
387.13635	4.2
395.16168	3.2
396.16919	2.0
399.15353	1.5
400.16501	6.0
401.15067	2.7
403.12817	2.9
405.14575	2.0
411.15118	4.6
412.16592	1.7
413.16919	6.4
414.17975	7.4
415.12888	4.5
416.19775	3.6
417.14691	2.7
419.15900	5.2
421.17862	2.0
423.15616	3.3
425.17731	2.0
427.12897	3.0
429.14377	4.4
432.18933	3.8
433.14178	1.9
435.15509	5.8
437.11749	2.2
437.17056	10.4
440.15430	1.9
441.16547	8.0
442.17401	6.1
445.13840	2.1
446.14597	2.1
447.15756	7.8
453.16290	8.3
454.17389	1.6
455.12640	2.5
455.18137	14.7
457.13959	2.2
460.18887	6.9
462.19794	2.2
463.15002	6.0
464.15854	4.0
465.16434	11.3
469.15912	2.8
471.37289	1.6
474.20129	5.8
479.18234	3.2
481.16046	16.2
482.16693	5.0
483.17740	19.5
492.21170	6.5
495.17868	2.9
497.19254	9.1
502.19513	2.5
513.18719	15.2
514.19385	3.8
515.20325	30.6
534.22253	11.9
540.21222	3.6
542.22784	4.5
549.18738	1.7
558.22858	7.2
560.23859	2.4
563.20178	1.6
568.21063	10.3
573.18738	2.1
576.23511	4.0
578.25397	2.0
583.25208	2.6
586.21930	32.0
588.22986	7.2
589.18066	2.7
591.19482	4.9
595.18799	2.2
600.23407	35.9
601.24976	7.1
602.24628	3.4
604.22852	33.4
606.24048	4.6
617.17389	3.2
618.24451	52.4
619.26563	16.8
620.26093	6.8
622.23779	11.4
624.25537	4.1
635.18585	14.7
636.25677	83.7
637.19531	21.0
638.27704	2.4
654.27136	3.0
667.21332	14.0
668.21490	2.2
669.22894	41.9
675.29950	1.8
691.27234	4.8
709.28809	20.8
723.30304	20.4
727.30005	7.4
740.24426	2.0
741.31329	24.7
745.30884	13.3
758.25488	93.5
759.31409	3.1
772.26324	2.0
776.13220	2.6
776.26514	36.7
777.32660	4.3
778.27161	1.9
790.28156	57.0
808.29449	10.7
881.33240	1.9
899.33643	20.7
931.35706	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	929.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	2.3
68.54510	1.1
69.03422	2.4
69.07059	2.6
70.67491	2.9
71.04986	1.5
79.05474	1.4
81.03418	5.8
81.07056	2.9
83.04988	1.2
85.02888	3.7
91.05466	4.0
93.07001	1.2
94.06559	1.5
95.04972	2.5
95.08590	1.2
97.02892	2.3
105.07003	1.7
107.04926	1.1
108.08118	1.0
109.02872	4.2
111.04466	1.2
117.07004	0.9
118.06561	1.6
119.04913	2.4
121.06530	1.1
121.10121	1.1
122.06020	2.7
123.04353	1.0
127.03925	3.9
130.04988	2.2
136.07532	1.5
137.02362	12.5
137.05974	3.7
140.07065	3.8
143.05626	8.4
145.02870	3.1
147.04407	2.8
149.06038	1.3
164.07086	1.0
167.07016	4.0
167.41295	0.9
174.09178	1.2
175.03877	2.7
177.05450	6.3
191.17343	0.9
207.06589	5.5
211.08684	1.3
220.09892	1.3
223.12265	2.2
227.11830	1.7
230.15410	2.7
233.10803	1.0
235.08601	3.9
235.12149	1.8
236.09444	1.8
237.10300	5.0
237.13890	1.6
238.10947	2.4
239.11722	5.7
240.12473	1.1
245.06854	1.0
247.08656	1.6
248.09460	9.9
249.10211	33.6
250.10994	8.0
251.11787	36.6
252.12454	4.7
253.09682	1.4
253.13405	5.8
261.10181	3.7
262.10983	5.0
263.11789	100.0
264.08994	3.0
264.12549	15.2
265.09708	6.1
265.13330	23.9
265.15982	1.8
266.10547	1.8
266.14124	6.1
267.11325	1.7
267.15085	2.0
275.11838	3.3
276.08731	1.5
277.09760	17.2
277.12839	2.4
278.10474	12.7
279.11285	51.9
280.11987	4.0
281.12918	3.6
284.11359	1.1
287.05392	4.1
289.09680	4.6
289.13037	1.6
290.10425	4.3
291.11267	28.7
292.12061	15.6
293.12811	11.9
294.09830	1.1
294.13565	1.9
295.10754	7.5
295.14044	1.9
296.11670	2.8
297.12332	8.2
298.13208	1.7
300.75745	1.0
304.19269	1.8
305.09274	2.1
305.12808	2.7
307.10779	3.1
309.12314	38.6
310.13068	11.6
311.13889	21.3
312.14645	2.5
315.11237	1.8
316.12109	1.5
317.09271	1.8
317.13031	1.6
318.09888	2.2
319.10696	10.3
320.11505	1.6
321.12228	4.4
323.13876	34.6
324.14706	6.9
325.11517	1.7
325.15372	2.1
329.12466	1.1
333.12415	1.1
335.13831	2.0
336.11011	1.1
337.11777	15.3
338.12659	2.5
339.13403	2.2
347.13898	1.1
349.11514	1.6
350.12439	2.7
351.13474	12.0
352.14139	2.0
353.15161	2.4
356.13681	1.1
357.12051	1.7
359.13919	1.7
365.14951	3.4
367.12738	3.1
368.13681	2.6
369.14484	43.6
370.15353	5.9
371.16653	4.5
372.16763	1.0
377.15036	1.6
379.12762	2.3
380.13922	1.1
381.14243	1.4
382.15329	2.7
385.11700	3.0
387.13223	2.1
389.14914	1.6
393.14377	3.3
398.14655	1.7
399.13574	1.9
403.12701	1.3
405.14377	4.5
409.13287	1.3
411.15375	4.3
413.17041	1.4
417.14609	3.6
419.15976	1.8
421.13953	1.7
423.15454	6.1
425.17233	2.0
427.13260	2.5
433.13916	3.1
435.15466	9.8
437.16922	1.6
439.14996	3.2
440.15796	1.9
441.16464	1.4
445.13702	6.7
446.14603	1.6
451.15146	2.4
453.16583	13.8
454.17392	2.3
455.11929	1.5
459.15833	1.4
460.18396	2.3
461.13266	1.8
463.15036	11.1
464.15637	2.7
465.15616	1.3
471.17459	4.1
475.15012	1.6
476.29733	1.5
477.16608	20.7
478.17126	6.2
479.14160	2.3
480.15091	1.5
481.16058	16.2
482.16855	4.7
483.17300	1.2
490.19681	1.8
492.21194	2.9
493.15704	4.9
494.17075	1.7
495.17639	35.3
496.18423	6.7
508.21121	5.0
510.22223	3.8
511.16980	6.9
512.17554	5.0
513.18701	33.4
514.19489	6.4
515.20251	1.8
520.20447	1.9
538.19763	1.5
550.21606	4.7
552.23065	4.1
566.19202	6.1
567.19702	1.7
568.20844	2.6
580.21063	1.4
582.24164	1.7
586.21851	8.6
587.16699	1.8
589.17621	3.4
598.21851	16.6
599.23041	8.9
600.23560	1.5
602.21356	2.8
604.22913	12.6
605.33655	1.5
615.15820	3.0
616.23120	11.4
618.24463	34.5
620.21100	2.0
622.23877	16.5
633.16766	3.7
634.24213	9.0
635.18469	4.0
636.25580	38.5
647.18451	2.0
649.20721	1.9
650.23206	1.4
652.25018	17.4
654.26569	40.9
665.19849	7.9
666.20392	4.4
667.21356	27.7
668.22021	5.7
673.28418	2.5
689.25726	1.9
707.27295	7.8
721.27936	1.2
725.27655	2.9
739.29712	17.6
743.29407	5.3
757.30286	2.6
775.30994	3.4
776.26178	2.1
788.26782	2.2
806.27332	2.2
808.29321	9.1
929.34009	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	929.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	1.9
69.03424	3.0
69.07066	2.8
70.04353	4.2
70.06590	1.0
77.00287	0.8
79.05492	2.5
81.03417	5.7
81.07047	1.7
83.04984	1.2
84.04513	1.4
85.02917	3.1
91.05489	4.3
93.07035	0.8
95.04971	1.4
97.02896	3.1
98.21636	0.9
99.04448	1.2
105.07040	1.2
107.04947	0.9
107.08591	1.0
108.08102	1.0
109.02893	3.2
109.06541	1.1
109.10165	1.6
116.74526	1.0
117.03337	1.1
119.04969	2.2
119.08545	1.2
120.09371	0.8
121.02905	1.2
121.06542	1.2
121.10175	0.7
122.06045	2.2
123.04453	1.3
127.03931	3.8
130.05028	2.3
131.04933	1.6
131.08664	0.8
133.10164	1.0
134.06039	1.8
134.09476	0.9
135.04340	0.9
136.07619	1.7
137.02350	10.7
137.05965	4.0
138.05504	1.6
140.07072	4.6
143.05684	8.8
145.02859	2.9
146.09671	1.2
147.04411	3.0
147.11772	0.8
148.07578	0.8
151.03925	0.9
161.06004	1.1
164.07101	1.4
167.03406	1.4
167.07062	5.7
175.03909	3.1
177.05463	7.1
178.05666	0.8
179.03369	0.8
191.07129	1.1
207.06546	6.5
208.09679	0.9
211.08690	0.9
220.10013	1.1
221.10724	1.9
223.08501	1.0
223.12379	1.2
224.09618	0.9
224.13037	1.2
225.10300	1.4
226.11073	0.9
227.11862	1.1
230.15361	3.7
235.08659	3.7
235.12248	1.8
236.09561	2.2
236.13000	0.9
237.10202	6.9
238.11024	3.0
239.11812	6.0
247.08650	1.9
248.09392	8.3
249.10231	30.8
250.11044	11.3
251.11783	32.3
252.12552	4.7
253.13367	8.0
261.10245	5.6
262.10880	5.1
263.11789	100.0
264.08966	4.5
264.12573	14.3
265.09811	5.5
265.13388	22.7
266.10474	1.0
266.14169	4.7
266.45947	0.9
267.11292	2.3
267.15021	2.4
271.05951	0.9
273.10233	0.9
275.11761	3.8
276.08911	1.7
276.12537	1.2
277.09732	18.8
277.13275	2.6
278.10483	12.2
279.11282	52.6
280.11951	3.5
281.12933	4.0
283.10922	1.3
283.14410	1.0
285.12408	1.3
287.05505	4.8
289.09738	3.8
290.10559	3.0
291.11267	28.6
292.12067	17.3
293.09650	1.5
293.12833	12.2
294.13464	1.7
295.10785	9.6
295.14453	2.1
296.11533	3.7
297.12268	6.4
298.13199	3.2
299.14154	1.2
302.10535	1.0
303.11172	1.2
304.12103	0.9
304.19058	1.1
305.12714	1.5
307.10690	3.7
308.11655	1.4
309.12338	37.9
310.13092	11.3
311.13895	23.0
312.14569	1.5
313.15497	1.7
317.09198	1.4
317.12918	1.1
318.09982	1.9
319.10733	13.5
320.11563	2.8
321.12341	5.2
322.13116	1.2
323.10681	1.4
323.13901	36.0
324.14658	5.8
325.11908	1.5
325.15503	2.2
329.12750	1.6
331.14249	1.0
333.12488	1.7
335.14169	1.2
336.11066	1.8
337.11844	15.1
338.12561	2.1
339.13489	3.1
343.10660	1.6
345.12347	1.6
349.11542	1.1
350.12689	2.2
351.13446	13.2
352.14276	3.4
353.14920	2.0
356.13660	1.6
357.12381	2.7
359.13843	2.2
365.15054	2.3
367.12723	1.8
368.13611	1.9
369.14532	45.6
370.15292	6.8
371.10019	1.1
371.15860	3.3
379.12811	2.1
381.14285	1.4
382.15417	1.6
385.11676	3.6
387.13376	1.0
389.15076	1.9
391.12665	1.4
393.14423	3.9
395.16281	1.1
399.13852	1.7
400.10394	1.8
400.16019	1.5
401.15106	1.2
405.14230	4.4
407.15921	1.3
411.15460	4.0
412.16617	2.3
413.11292	1.5
413.17059	1.2
415.13049	1.2
417.14532	4.7
419.16263	2.2
421.13910	2.2
423.15469	5.4
424.16321	1.3
425.17154	2.1
427.13159	2.3
430.17520	1.9
432.19351	1.1
433.14124	1.8
433.74667	0.9
435.15634	8.1
436.15509	0.9
437.17477	2.0
439.14844	3.9
440.15884	1.9
441.16495	1.1
442.17636	1.1
443.12289	1.0
445.14017	5.7
446.14877	1.0
447.15875	1.0
451.15118	2.6
453.16562	15.3
454.17294	2.2
455.12280	1.2
455.17978	1.6
458.16965	1.2
459.15042	1.0
460.18707	1.5
461.13196	1.8
463.14911	13.4
464.15808	2.5
465.16705	1.8
467.18839	0.9
470.16895	1.0
471.17679	4.0
472.18637	1.1
475.15057	1.7
477.16534	20.8
478.17239	7.3
479.14468	3.0
480.15414	1.3
481.16006	17.6
482.16772	5.4
483.17511	1.4
487.15604	1.0
492.21268	3.2
493.16141	4.8
494.16937	2.4
495.17636	32.8
496.18549	7.8
497.18918	1.0
499.17767	1.0
508.20721	4.1
510.22226	2.7
511.17035	7.7
512.17908	5.8
513.18671	32.7
514.19403	9.1
520.20544	1.7
548.17932	1.4
550.21887	5.2
552.23578	4.2
559.17255	1.3
566.19244	5.0
567.19891	2.1
576.17181	1.0
580.21289	1.8
584.20062	2.2
585.20001	1.2
586.22046	8.9
587.16479	2.5
589.17999	2.2
593.17889	1.6
598.13721	1.1
598.22040	15.7
599.23370	7.4
600.22607	1.4
602.21436	3.2
603.21210	1.1
604.22998	10.3
605.34131	1.9
608.21460	1.0
615.15839	1.7
616.23053	12.3
617.16248	1.6
617.24768	1.5
618.24463	33.3
620.22119	3.3
621.21973	1.2
622.23816	17.5
631.27069	1.3
633.16949	3.8
634.24634	8.8
635.17456	4.4
636.25635	39.2
637.25299	1.3
647.18634	1.9
649.20386	1.5
652.25000	18.2
653.24683	1.1
654.26593	38.8
655.27472	1.3
665.20062	6.5
666.20477	4.7
667.21320	26.1
668.21985	4.7
673.28339	2.4
689.26776	1.7
707.27026	9.0
721.28497	2.8
725.28101	3.2
739.29730	17.3
743.29120	6.8
757.31085	3.6
767.39380	2.3
774.24908	2.2
775.31415	3.2
776.26508	3.5
788.26996	1.3
806.27344	3.8
808.29083	9.2
897.31573	1.8
928.65552	1.3
929.34613	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	3.2
69.03423	3.0
69.07079	0.7
71.01348	0.6
71.05004	2.4
71.60860	0.6
73.02913	4.1
79.05498	2.0
81.03430	1.5
81.07053	3.7
83.08611	0.5
85.02894	5.5
85.06587	0.7
87.04442	0.7
87.23899	0.4
91.03952	2.7
91.05506	2.2
93.07045	2.2
95.05010	0.6
95.08627	1.4
97.02890	5.0
99.04478	1.1
101.02401	1.5
103.03982	0.4
105.07055	1.0
107.08598	1.2
109.02898	0.8
109.10165	0.9
117.07018	0.8
119.08575	0.5
121.10149	0.9
123.11731	0.8
127.03936	1.7
133.10161	1.1
145.05099	0.6
149.13385	0.6
151.11186	1.1
159.11708	0.6
185.04256	1.1
195.78204	0.4
243.08487	2.4
267.15860	1.0
347.09445	2.6
365.10629	1.2
405.13626	5.7
453.20636	0.7
485.23538	7.2
519.29407	3.9
647.28778	7.1
681.34747	2.9
763.45544	0.9
925.51251	100.0
926.51660	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	925.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	4.2
69.03430	3.5
69.07067	0.7
71.01369	0.9
71.05011	1.3
71.60677	0.7
73.02922	3.8
79.05495	2.1
81.03436	1.6
81.07051	4.9
83.08616	0.4
83.88406	0.4
85.02908	5.9
85.06526	0.5
87.04457	0.5
91.03959	3.3
91.05483	2.2
93.07048	2.5
95.04993	0.5
95.08609	2.6
97.02901	5.4
97.06566	0.7
99.04459	1.0
101.02393	1.8
105.07047	1.3
107.08615	1.3
109.02899	1.2
109.10175	1.1
115.03959	0.6
119.08593	0.7
121.10156	1.2
123.11707	0.6
127.03946	1.0
131.08604	0.7
133.10219	0.9
135.11732	0.9
145.04947	0.6
149.13333	0.6
149.35986	0.4
151.11234	0.5
159.11722	0.6
173.03329	0.4
183.13882	0.4
184.41809	0.4
185.04240	1.1
187.72482	0.4
203.05312	0.6
228.54684	0.4
243.08421	2.5
267.15900	0.7
268.27502	0.4
318.05338	0.4
323.18494	0.4
347.09341	1.9
365.10587	0.7
405.13657	5.9
408.75369	0.4
446.84821	0.4
485.23590	4.3
519.29346	5.4
647.28918	3.4
681.34393	7.8
763.46185	1.4
925.51282	100.0
926.51428	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	923.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.0
67.05508	3.4
69.03429	5.3
69.07081	1.5
69.91180	3.4
70.06617	0.7
71.05013	2.3
73.02921	2.6
75.64802	0.7
79.05500	4.1
81.03419	6.6
81.07055	3.6
83.04996	1.3
83.08631	1.4
85.02895	7.2
85.06542	1.0
91.03979	3.2
91.05484	6.7
93.07046	3.4
95.04992	2.6
95.08632	3.1
97.02904	5.5
97.06560	1.7
98.20855	1.4
99.04426	1.3
101.02396	1.4
103.05492	0.7
105.01813	0.7
105.07014	3.7
107.04996	1.3
107.08611	2.3
108.08129	1.2
109.02863	4.1
109.06536	1.0
109.10144	1.2
111.04465	0.8
111.08074	0.9
115.05488	0.7
117.07032	1.2
119.04950	3.3
119.08637	3.1
121.06511	1.6
121.10168	2.2
123.04505	0.8
123.08106	0.7
127.03920	5.7
129.07030	1.4
131.04941	0.9
131.08606	2.5
133.06538	1.4
133.10123	1.8
135.11700	0.9
137.05975	4.1
143.05650	17.5
144.05928	1.1
145.02916	2.9
145.05006	0.8
145.10164	1.3
147.04387	3.8
147.11737	2.0
149.09691	1.9
151.07587	1.0
153.01874	3.2
157.10170	0.9
163.07655	1.0
163.11288	0.9
165.12833	1.0
167.07039	7.0
175.03912	5.0
177.05467	6.3
181.05029	0.8
193.12158	1.6
207.06522	8.9
207.08090	0.8
225.10225	0.9
225.14885	0.9
237.10233	1.2
239.11835	0.9
243.08505	2.2
251.11940	1.0
253.13519	0.7
267.16031	1.7
271.06122	4.7
272.06232	0.8
272.18832	0.7
283.15344	3.0
287.05505	27.7
288.05957	1.7
293.09573	0.8
293.13049	1.0
297.11880	0.8
339.17783	1.6
347.09705	2.5
365.10757	1.3
405.13675	5.9
465.17355	0.9
469.20853	1.3
501.23032	17.4
515.20050	0.8
599.16077	1.1
619.25360	0.9
636.25580	1.0
663.28278	15.4
663.70911	0.8
761.39679	2.6
801.29376	0.9
923.44635	100.0
924.43677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
64.76538	0.1
65.03923	0.4
67.01863	0.3
67.05513	0.2
68.99785	0.7
69.03433	1.4
69.07062	0.1
71.04993	0.2
71.21434	0.3
73.02905	0.2
79.05479	0.4
81.03417	2.5
81.07038	0.4
81.98312	0.1
83.04984	0.3
83.38444	0.1
84.08155	0.1
85.02908	1.7
87.00813	0.5
87.04431	0.1
89.03905	0.2
91.05482	5.4
92.05814	0.1
93.07041	0.2
94.06555	0.1
95.04972	0.3
95.08604	0.2
97.02290	0.2
97.02889	2.1
99.04456	0.6
99.32455	0.1
101.38385	0.1
102.20956	0.1
105.01855	0.3
105.07034	0.3
107.04948	0.4
107.08574	0.2
108.08101	0.2
109.02882	4.0
109.06496	0.1
109.10152	0.3
109.40965	0.1
111.04456	0.6
117.03365	0.4
119.04932	0.4
119.08569	0.2
121.02878	0.2
121.06485	0.2
121.10111	0.2
122.06016	0.1
123.04399	0.3
123.08066	0.1
123.11676	0.2
125.02361	0.6
127.02965	0.2
127.03912	3.1
129.01810	0.5
129.07040	0.1
131.04909	0.3
133.06512	0.2
133.10138	0.2
135.04419	1.7
137.02353	0.7
137.05968	0.7
139.03903	0.2
140.07069	0.1
141.01840	0.3
143.05649	2.6
144.04042	0.4
144.06033	0.2
145.02864	0.8
145.05002	0.7
145.06105	0.1
145.10089	0.2
146.03183	0.2
147.02907	0.2
147.04416	0.5
147.11684	0.2
149.02313	0.1
149.05992	0.2
149.09637	0.1
151.03889	0.2
152.05670	0.1
153.01825	3.8
155.03366	0.1
159.02911	0.2
161.02377	0.7
161.05927	0.2
163.03940	0.3
163.07515	0.1
163.11150	0.1
165.01813	0.3
167.07019	1.2
168.07396	0.1
171.02901	1.6
173.05957	0.1
175.03928	0.6
177.04059	0.2
177.05487	1.8
178.05794	0.3
179.03380	0.3
179.06940	0.2
181.05009	0.2
183.02887	0.2
183.04395	0.1
189.05525	0.2
191.07195	0.2
193.05098	0.1
195.02859	0.2
203.03468	0.2
205.05043	0.1
207.06514	0.9
208.06844	0.1
209.08347	0.1
211.09717	0.1
213.03908	0.7
213.05664	0.1
217.05019	0.3
219.06517	0.3
221.04402	0.1
225.10298	0.2
227.11800	0.1
231.04797	0.5
235.05972	0.2
239.11647	0.2
241.04945	0.5
245.04382	0.4
250.10983	0.1
251.11803	0.5
252.12236	0.1
263.05408	0.2
263.11685	0.1
265.09702	0.1
265.13242	0.2
267.11331	0.1
269.04385	0.3
269.08578	0.1
271.05984	0.2
279.11121	0.2
280.11789	0.1
286.04694	0.3
287.05496	100.0
288.05807	1.9
293.12808	0.2
299.05533	2.1
300.06296	0.2
301.07007	0.1
311.05420	0.5
313.03583	0.5
313.06830	0.2
323.05487	0.3
325.03452	0.1
325.06943	0.3
329.06546	2.4
330.06436	0.1
335.08920	0.3
337.06833	0.2
339.07425	0.3
341.06482	0.2
349.06891	0.5
353.06461	0.7
353.10208	0.1
357.08051	0.3
365.06497	0.2
367.08185	0.1
375.09311	0.1
377.06339	0.7
377.10211	2.8
395.07663	1.5
413.08679	0.2
419.07773	0.2
420.37369	0.1
433.25067	0.1
437.08899	0.2
449.10855	0.7
465.17059	0.1
481.07596	0.2
485.09000	0.2
495.17038	0.1
499.08804	0.3
515.19891	0.2
517.09698	0.7
535.10870	0.4
541.09064	0.1
569.14191	0.1
577.11725	0.3
586.22791	0.1
589.09552	0.3
607.10657	0.8
618.24719	0.2
625.11932	1.5
636.25409	0.4
637.14142	0.2
639.48669	0.1
643.12885	1.7
661.13904	2.4
679.15137	2.1
741.30707	0.1
832.75507	0.1
923.40088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.2
67.05508	0.6
68.99792	0.5
69.03430	1.6
69.07067	1.0
70.06590	0.3
70.32056	0.1
71.04986	0.1
71.61042	0.2
73.02908	0.2
73.04041	0.2
78.04721	0.1
79.05492	0.6
81.03426	1.5
81.07047	0.9
81.97211	0.1
83.02440	0.2
83.05000	0.3
83.08620	0.4
85.02908	1.4
85.06549	0.2
87.00842	0.2
87.06718	3.6
89.03919	2.2
91.05479	1.6
93.07041	0.6
95.04969	0.4
95.08620	0.8
97.02891	1.0
99.04448	0.4
101.03478	0.2
103.05486	0.4
105.07034	1.8
106.04208	0.2
107.04951	0.3
107.08608	0.7
109.02886	1.6
109.10159	0.8
111.04529	0.1
111.06696	0.2
113.04610	0.3
115.05508	0.2
117.03378	5.0
117.07039	0.3
119.04954	0.8
119.08576	4.6
121.02857	0.2
121.06510	0.3
121.10123	0.5
122.03618	0.1
122.06039	0.2
123.04422	0.3
123.08112	0.2
123.11707	0.2
124.05205	0.3
125.05991	0.2
126.02988	0.2
126.87778	0.2
127.03915	2.0
128.06183	0.2
129.01843	0.4
129.06978	0.2
131.04919	0.4
131.08560	0.3
133.06503	0.2
133.09181	0.1
133.10129	3.4
134.03667	0.3
135.04416	0.5
135.08032	0.2
135.11673	0.6
137.05975	1.2
137.09592	0.3
141.01854	0.2
141.04045	1.0
142.04878	0.2
143.05641	100.0
144.05984	0.5
145.02844	14.5
145.10132	0.4
146.03282	0.2
147.04424	0.6
147.11697	0.6
148.07597	0.2
149.05998	2.0
151.03897	0.2
151.07533	0.3
151.11122	0.2
159.04352	0.2
161.06033	0.3
162.09140	0.1
163.03850	0.3
166.08597	0.2
167.03308	0.2
167.05652	0.6
167.07048	1.8
175.03954	0.7
175.07530	0.3
175.13272	0.3
175.14822	8.2
177.05469	24.4
178.05830	0.4
181.04941	0.2
181.08658	0.2
185.06810	0.9
186.05492	0.5
187.07492	0.2
189.05424	0.3
189.09076	0.3
191.07013	0.2
193.08574	0.4
193.15855	0.4
195.02975	0.2
199.07390	0.2
201.05481	0.3
207.06546	1.5
208.06958	0.2
211.16887	0.5
213.03914	0.4
213.09322	0.2
215.07043	0.3
217.08675	0.2
219.06488	0.2
221.04257	0.4
236.09190	0.2
237.10460	0.2
239.11746	0.3
241.08553	0.4
243.06442	0.3
243.11140	0.2
251.07909	0.2
251.11642	0.4
253.13211	0.2
256.07684	0.2
257.08139	0.2
261.07581	1.2
263.11679	0.2
265.13342	0.3
271.05984	0.7
273.07605	0.2
279.11194	0.3
285.07605	1.4
287.05499	0.7
287.09155	0.3
293.12860	0.4
301.06992	0.2
303.08447	0.2
305.10901	2.8
311.13843	0.3
319.10336	0.3
337.11041	0.2
371.15424	0.2
373.09882	2.9
381.13937	0.2
389.08685	0.2
391.11047	0.6
425.10901	0.2
433.11990	2.5
441.17499	0.2
499.13000	0.8
517.14136	3.2
533.12878	2.0
535.15186	0.7
551.14014	1.4
569.14978	6.2
600.22906	0.2
618.24152	0.2
619.24945	0.2
636.25098	0.4
659.27515	0.4
675.17358	0.3
693.18628	1.3
711.19824	6.3
729.20709	0.7
743.30121	0.2
745.30756	0.4
748.27905	0.2
780.32703	0.4
889.34540	0.3
921.36029	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.2
67.05497	0.8
68.99803	0.6
69.03433	2.0
69.07063	0.3
69.85882	0.3
69.86289	0.6
70.06570	0.3
71.04979	0.4
73.04007	0.2
73.44318	0.1
74.14709	0.1
75.26343	0.1
78.04693	0.2
78.39147	0.1
79.05479	0.3
81.03415	1.7
81.07059	0.6
83.02481	0.2
83.04945	0.3
83.56081	0.1
84.04440	0.1
85.02911	1.0
87.00821	0.3
87.06718	3.4
89.03918	2.3
91.05491	1.0
93.07043	0.6
94.04105	0.1
95.04957	0.5
95.08592	0.6
97.02885	1.0
97.06537	0.2
99.04439	0.6
103.05444	0.3
104.52456	0.1
105.07034	0.5
106.04211	0.2
107.04967	0.2
107.08584	0.4
109.02888	2.2
109.06538	0.2
109.10179	1.4
111.04437	0.2
111.06705	0.1
113.04615	0.4
115.05502	0.2
115.62811	0.1
117.03379	6.2
117.07034	0.2
119.04948	0.5
119.08574	0.5
121.06447	0.1
121.10148	0.3
123.04410	0.3
123.08079	0.3
125.04620	0.2
126.03056	0.2
127.03925	2.4
129.01842	0.8
129.06995	0.2
131.04941	0.4
131.08543	0.2
133.10104	0.6
134.03624	0.4
135.04417	0.7
135.11688	0.8
137.05969	1.1
137.09608	0.3
141.01747	0.2
141.04060	1.1
141.06989	0.3
142.04823	0.2
143.05646	100.0
144.06088	0.8
145.02847	17.3
145.10054	0.1
146.03185	0.4
147.04446	0.8
147.11681	0.3
149.05981	2.0
151.03905	0.2
151.07571	0.2
157.06560	0.1
159.11736	0.1
161.01210	0.1
161.05992	0.4
163.03908	0.4
163.07494	0.2
167.05646	0.6
167.07057	1.6
169.06505	0.2
173.06053	0.2
175.03926	0.5
175.07515	0.2
175.14784	0.2
177.05476	33.2
178.05817	0.6
181.04950	0.2
181.06479	0.2
181.08783	0.2
185.06766	0.8
186.05504	0.6
187.07582	0.4
189.05460	0.4
189.09090	0.2
193.08710	0.2
193.15898	0.6
195.06523	0.2
197.06064	0.2
199.07509	0.1
201.05537	0.3
203.03526	0.2
207.06544	1.2
211.16994	0.4
213.03967	0.6
215.07068	0.6
217.08644	0.3
219.06567	0.4
221.04512	0.3
229.08597	0.2
231.04752	0.2
233.08240	0.2
237.10262	0.2
241.08575	0.4
243.06598	0.5
250.10890	0.2
251.11891	0.3
257.08115	0.4
261.07599	1.6
265.13345	0.3
266.13754	0.2
267.06644	0.1
267.15875	0.2
271.05948	0.2
273.06018	0.3
279.11215	0.3
285.07498	1.7
285.12390	0.2
287.05597	1.0
287.09116	0.3
293.12747	0.2
294.13278	0.2
303.08878	0.4
305.10910	4.0
311.13876	0.3
319.10336	0.3
339.10526	0.2
371.07504	0.2
373.09930	4.3
389.08530	0.2
391.11093	0.4
407.09912	0.2
425.10751	0.3
433.11996	1.9
467.12091	0.3
499.13104	0.4
515.11951	0.2
517.14142	2.4
517.21149	0.2
533.12988	3.0
535.15045	0.7
551.13965	2.8
569.15027	11.7
570.15314	0.3
618.23981	0.2
636.25696	0.2
659.29108	0.2
675.17450	0.3
693.18903	1.3
711.19836	5.0
712.20325	0.3
729.20422	0.2
745.30994	0.3
747.31763	0.2
748.32678	0.2
779.34058	0.3
780.34167	0.5
882.10632	0.2
921.36053	6.4
922.36798	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	920.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
63.67057	0.5
65.03934	2.2
67.05500	70.2
69.03431	3.4
69.07066	14.7
69.44032	2.2
69.44467	2.3
71.04991	24.3
73.02911	3.7
73.06553	0.5
76.25316	0.4
77.03928	0.5
78.72939	0.4
79.05489	36.6
80.93649	0.6
81.03416	2.4
81.07052	98.4
82.07391	0.6
83.04980	4.9
83.08614	10.1
85.02900	12.9
85.06535	9.9
90.15069	0.5
91.03954	7.4
91.05474	30.0
93.07040	41.3
95.04965	5.8
95.08603	31.5
96.04520	0.7
97.02880	6.6
97.06530	6.0
97.10172	3.2
99.04454	1.4
99.08076	1.4
101.06002	0.5
105.04498	0.6
105.07026	19.7
107.08590	26.5
109.06509	3.2
109.10153	16.5
109.10916	0.7
111.08094	3.2
111.12765	0.5
117.07024	6.3
119.07774	1.0
119.08572	9.1
119.09351	0.8
121.06488	0.8
121.10135	18.2
121.40060	0.4
123.08072	1.8
123.11698	18.5
123.12574	1.0
125.09609	1.1
127.03881	2.7
127.07579	0.6
129.07028	1.1
131.08571	10.8
133.10126	23.7
135.08093	0.8
135.11687	12.7
136.11996	0.5
137.09604	1.4
137.13232	1.0
139.11111	0.9
141.12651	0.6
143.08585	1.7
144.09363	0.6
145.04939	3.3
145.10098	7.1
147.11662	5.5
149.09631	1.0
149.13251	9.5
151.11179	8.6
153.12718	1.3
157.10153	2.1
159.11679	8.9
161.13243	4.1
163.06029	2.7
163.11223	0.6
163.14821	1.4
165.12711	0.7
167.14223	0.6
169.10117	0.9
169.12263	1.3
171.11711	1.5
173.13269	3.6
175.14835	1.3
177.12794	2.4
179.14233	0.6
183.11996	0.9
183.13815	4.1
185.13269	1.5
187.13290	5.5
187.14847	1.9
195.13852	1.8
199.14813	1.0
201.14796	1.1
201.16519	0.7
202.16920	0.5
209.15416	0.5
211.14902	0.6
220.85271	0.5
227.16321	2.5
229.14363	0.5
243.21091	0.7
253.17987	1.4
257.17365	2.5
259.20743	1.2
261.22012	2.8
262.77301	0.5
263.46576	0.5
269.17471	6.9
285.22266	0.6
289.21576	0.6
299.23724	1.0
301.20059	22.1
313.16223	0.6
315.23181	0.6
317.24670	0.6
333.24084	0.9
335.25781	18.1
336.25824	0.6
343.26236	0.7
363.25842	0.7
393.31461	0.8
411.32529	2.0
419.33026	0.6
429.33417	0.9
437.34283	2.6
445.24042	0.8
455.35114	1.0
485.36310	5.6
486.14786	0.6
503.37277	86.9
504.37766	2.9
511.37961	2.2
517.38861	4.6
529.38837	29.5
530.39264	1.0
547.39893	1.6
561.41467	100.0
562.41992	3.1
647.40442	0.6
705.45679	1.0
920.51227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.0
67.05500	46.9
69.03428	2.2
69.07066	8.8
71.04990	14.9
71.08625	0.4
73.02921	2.1
79.05488	27.8
81.03422	1.7
81.07051	72.2
82.07378	0.4
83.04980	2.7
83.08614	5.7
85.02896	7.6
85.06531	6.8
87.04491	0.5
91.03950	4.8
91.04880	0.8
91.05473	22.2
93.07037	31.5
95.04970	2.9
95.08599	21.9
96.04463	0.5
97.02888	4.7
97.06525	3.7
97.10171	1.9
99.04440	0.8
99.08079	0.9
100.92056	0.3
105.04506	0.6
105.07023	12.3
107.08585	18.6
109.02898	0.5
109.06507	1.6
109.10147	11.0
111.08086	1.4
115.03945	0.4
117.07005	4.2
117.50970	0.3
119.08579	6.3
120.08916	0.3
121.10133	14.5
121.65270	0.3
123.08053	1.0
123.11694	11.0
125.09628	0.7
127.03906	2.0
129.06960	0.4
131.08554	7.4
133.09099	0.8
133.10118	15.5
135.08063	0.8
135.11681	8.5
143.08572	0.6
144.06520	0.4
145.04935	1.9
145.10095	3.9
147.11664	3.9
149.13248	5.5
151.11179	5.0
153.12819	0.5
157.10133	0.9
159.11671	5.2
161.13252	2.9
163.05978	1.8
163.14806	1.1
165.12776	0.4
169.12303	0.7
171.11742	0.4
173.04463	0.8
173.13222	2.3
175.14845	1.0
177.12709	1.7
179.14288	0.7
183.13831	2.4
185.13278	0.6
187.13301	3.4
187.14790	0.6
195.13875	1.2
199.14767	0.5
201.14807	0.5
201.16458	0.7
227.16434	1.2
229.21657	0.5
241.19583	0.5
243.15897	1.0
243.21165	0.7
257.17499	1.4
259.20529	0.9
261.22025	2.2
269.17480	4.8
285.16907	0.5
287.23645	0.6
299.23758	0.5
301.20053	11.1
317.24713	0.8
335.25775	22.3
339.17853	0.4
349.27139	0.4
369.24628	0.4
393.31284	0.4
411.32550	0.7
437.34201	1.0
445.24203	1.0
485.36136	2.4
503.37280	75.2
504.37408	1.6
511.37595	0.6
517.38910	3.6
529.38855	15.1
547.39941	1.2
561.41455	100.0
562.41840	3.1
629.40485	0.5
647.41510	0.9
705.45221	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	71.6
69.03431	9.0
69.06725	2.6
69.07070	30.5
71.04990	7.3
71.60654	2.2
72.04512	4.4
73.02924	4.0
79.05019	1.8
79.05499	69.2
81.03429	20.0
81.07060	100.0
83.04980	12.3
83.08621	23.4
84.04504	2.4
85.02905	19.2
85.06534	5.3
91.03954	6.1
91.05486	52.2
92.05784	1.8
93.07050	74.6
95.04972	16.1
95.08613	39.7
97.02915	8.4
97.06528	20.1
97.10165	8.4
99.04482	2.0
99.08106	4.2
102.21426	2.1
103.05476	1.8
105.07034	37.1
107.04973	8.0
107.08601	42.9
109.06541	6.7
109.10150	15.3
111.08075	9.1
111.12579	1.5
113.09626	2.0
117.07045	15.2
119.08589	25.8
121.06528	5.4
121.10151	24.4
121.10933	2.5
123.08083	4.8
123.11755	3.7
125.09648	6.2
127.03945	5.0
128.06216	2.0
129.07010	7.1
131.08577	24.7
133.10132	23.9
135.08069	6.0
135.11679	19.0
137.09634	4.0
143.08554	4.1
145.10126	15.8
147.11682	15.8
149.09610	11.3
149.13258	24.9
151.11189	2.1
155.08583	2.8
157.06367	1.8
157.10112	8.8
159.11697	18.4
161.13278	6.2
163.11205	5.7
169.10077	2.5
171.11711	4.3
173.04486	2.3
173.13315	5.4
175.11243	2.6
177.12762	6.5
183.11720	2.4
185.13264	5.1
187.14798	2.4
189.11189	3.9
193.12306	7.4
195.13890	10.0
197.13220	1.9
199.14839	2.4
211.13290	9.1
227.12857	9.0
229.14317	2.7
241.19531	3.0
255.15887	3.3
257.19016	6.4
259.20505	8.4
262.18033	2.8
267.15955	7.2
269.17496	57.9
275.20087	20.7
277.21585	4.0
285.16953	10.5
293.21249	2.3
333.24237	6.2
349.23807	17.0
351.25415	7.3
411.31903	1.7
423.27521	3.5
439.26782	4.5
449.29092	15.0
463.30594	62.8
507.35379	2.0
525.35449	6.6
543.23474	2.1
543.36926	57.3
552.59265	2.1
561.37830	21.0
596.41278	7.6
607.34070	3.1
621.44690	1.8
687.41241	2.3
705.42163	2.7
758.46661	8.3
920.51862	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	919.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.4
69.03418	4.6
69.07069	25.6
69.86195	4.6
69.86613	2.2
70.06591	1.7
71.04995	1.3
72.08172	1.3
79.05479	2.7
81.03428	8.1
81.07051	2.8
83.04967	1.7
84.08139	1.3
85.02889	4.9
87.06702	5.3
91.05478	7.0
93.07036	3.1
94.06551	3.1
95.04974	4.5
95.08598	3.9
97.02888	4.6
97.06546	1.9
103.05470	1.8
105.07014	3.2
106.98496	1.2
107.04954	3.0
107.08615	1.7
107.54412	1.2
108.08131	6.8
108.48567	1.1
109.02858	6.1
109.06530	1.6
109.10166	2.6
111.04409	1.8
115.05459	1.7
117.03363	1.1
118.06596	1.6
119.04935	5.2
119.08565	2.0
120.08102	3.4
121.06508	1.9
122.06027	6.7
122.09667	1.3
123.04443	1.6
123.08051	1.4
124.07681	1.6
127.03915	5.2
129.07077	1.2
131.08546	1.7
132.08047	1.7
133.06531	2.6
133.10127	1.7
133.74144	1.2
134.06015	3.2
134.09645	1.3
135.04398	2.0
135.08061	1.4
135.11655	1.6
136.06125	1.2
136.07588	6.3
137.05969	4.8
138.05476	1.8
140.07062	35.1
141.04027	1.8
142.04855	3.8
143.05647	100.0
145.02823	4.5
146.06013	2.4
146.09615	1.9
147.04422	5.9
147.11624	1.4
148.07565	3.5
149.05995	1.8
151.03894	1.8
151.07555	1.6
152.07074	2.4
159.11726	1.3
160.07552	1.4
161.05980	1.4
162.09129	4.0
163.07494	1.5
164.06998	1.4
167.07048	12.6
174.05513	2.4
174.09171	2.4
175.03877	6.5
175.07433	1.5
177.05496	10.2
179.06905	1.5
181.04984	1.5
186.09212	1.6
190.04982	1.7
192.10249	4.9
193.08496	1.6
202.08667	1.7
207.06499	10.7
208.09821	2.0
209.08182	1.4
210.11407	1.3
211.08646	2.8
211.12329	1.9
213.10147	2.2
216.10197	1.9
221.10898	1.1
223.08643	1.6
224.09412	1.6
224.12956	1.4
225.10263	8.7
225.13777	1.6
226.10934	4.1
227.08125	2.4
227.11823	6.1
235.08638	2.0
236.09193	1.3
237.10225	8.4
238.10959	8.8
239.08116	1.7
239.11784	18.4
240.12482	7.6
241.09790	2.6
241.13284	2.3
249.07919	1.2
249.10222	6.8
250.10999	7.0
251.08047	4.1
251.11797	22.0
252.08882	2.0
252.12552	7.0
253.09720	9.2
253.13312	14.9
254.13965	2.4
255.11453	1.3
261.12555	1.8
263.11859	8.2
264.12524	3.6
265.09854	9.9
265.13321	18.2
266.10388	4.7
266.13916	6.3
267.11243	8.7
267.14691	4.0
269.09177	1.8
269.12689	2.3
271.06198	2.2
271.10764	2.5
277.09708	4.0
277.13263	3.2
278.10385	3.0
279.11279	16.6
279.14371	1.7
280.11990	5.9
281.12784	7.4
282.13196	1.3
283.10699	3.4
284.11484	1.6
285.12302	3.4
286.04727	2.3
287.05463	4.8
289.12073	1.6
291.11279	4.3
292.12018	1.6
293.09552	2.2
293.12854	13.9
294.13483	4.9
295.10867	2.2
295.14362	6.4
297.12323	7.8
298.13034	3.5
299.13919	4.5
300.14825	1.4
301.06970	6.6
301.13489	1.4
303.14648	1.7
305.12662	1.6
307.10538	4.1
307.14096	1.8
309.12424	6.5
310.12857	2.6
311.13898	15.4
312.14453	3.9
313.12192	2.0
313.15356	5.5
317.12567	1.5
319.10699	2.0
319.14398	1.4
321.12357	9.5
321.15646	1.6
322.12946	2.2
323.13794	3.6
325.11542	1.5
326.12494	1.4
334.15506	1.6
335.13696	1.3
337.11630	3.9
338.12616	2.1
339.13568	6.7
341.15036	2.2
342.15839	1.3
344.13907	3.1
345.15326	1.3
348.17056	2.7
352.14105	1.5
353.14914	4.0
355.16772	1.9
356.13870	1.9
357.14645	1.8
358.15527	3.2
360.17120	2.0
364.16571	2.5
367.12753	2.2
369.11386	1.5
371.15945	4.7
372.17029	2.6
376.16565	2.3
378.18066	1.8
381.14426	2.0
384.17169	2.0
387.15503	1.4
388.16736	2.3
392.19965	1.6
395.15723	1.8
396.17203	1.7
399.15872	1.6
400.16293	2.0
406.17563	2.1
413.17273	2.4
414.18277	3.0
416.19696	2.9
419.16208	1.6
420.19080	3.4
421.17938	2.2
423.15381	3.0
432.19257	2.6
434.20691	7.9
435.15378	1.8
437.16794	5.9
438.19821	3.8
439.18356	2.3
441.16492	2.3
442.17450	3.4
447.15173	1.9
451.14978	1.5
452.21698	4.1
454.16925	1.8
455.18030	6.2
456.18991	3.3
457.19354	3.8
460.18478	2.5
462.20160	10.5
463.15189	3.6
465.16760	6.8
474.20319	1.9
478.19885	2.7
480.21484	9.7
481.15897	2.8
482.16782	2.5
483.17371	11.4
484.17963	2.6
492.21082	1.8
494.22675	3.4
502.19650	2.1
513.18408	2.3
515.20007	4.6
516.20599	3.1
517.21118	1.6
522.22168	4.0
534.95764	1.5
540.21411	1.9
542.22839	1.5
543.21832	1.3
560.24188	8.0
564.23132	2.8
568.20953	5.0
570.22363	2.8
576.23352	2.6
578.24963	6.4
582.24109	2.9
583.25281	3.6
586.21802	8.5
587.22528	2.0
588.23364	14.7
590.21381	1.6
596.25842	6.9
600.23639	3.9
601.25537	5.1
604.22809	17.1
605.23541	2.8
606.24402	27.0
608.23236	1.7
610.22827	1.5
618.24475	5.6
619.24530	3.7
620.24750	3.0
622.23724	2.8
623.24219	4.6
624.25482	26.9
625.23633	3.4
636.25592	13.9
637.25995	6.1
638.25916	6.0
643.27502	4.8
655.26508	2.6
656.26947	2.3
657.25525	2.2
665.29529	2.7
683.30438	5.7
691.27069	3.6
701.30957	4.8
709.28571	29.7
719.31598	2.1
723.30475	2.6
724.29236	2.1
725.30170	1.8
727.29602	20.7
728.28693	1.7
729.29761	1.5
738.30762	6.2
741.31012	8.5
743.31409	2.9
745.18762	2.3
745.30780	27.4
746.28009	10.4
747.29144	2.4
750.26331	1.8
759.31677	3.8
764.27820	1.6
765.29083	4.1
766.30469	19.2
777.32727	3.3
778.31140	1.8
851.32922	1.8
869.34314	2.6
887.35699	65.4
888.36475	1.4
919.36487	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	919.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	2.2
69.03409	2.2
69.07066	1.6
70.32275	4.0
71.04974	1.8
76.14451	0.8
81.03411	5.1
83.05010	0.9
85.02908	4.4
87.06702	4.8
91.05481	3.0
94.06551	2.9
95.04947	1.2
97.02879	3.1
101.42886	0.9
106.06518	1.8
108.08109	11.0
109.02862	3.6
118.06490	1.3
119.04917	1.6
120.04464	1.8
120.08098	3.8
122.06043	12.3
124.07577	1.5
127.03912	2.9
129.38708	0.7
131.04892	1.1
132.08084	1.9
134.06017	2.2
134.09682	0.9
136.07593	6.3
137.05989	1.4
138.05505	0.9
139.06189	0.8
140.07068	7.1
141.04053	3.5
142.04881	4.4
143.05641	100.0
145.02928	1.5
146.05991	5.6
146.09654	1.2
147.04391	1.4
148.07591	9.2
150.09123	3.7
152.07069	3.4
155.05672	1.5
160.07578	4.5
162.09100	1.9
164.07050	2.3
166.08636	4.0
167.07068	7.3
168.10159	0.9
172.03897	4.2
172.07521	1.2
174.05522	6.5
174.09126	2.8
175.03853	1.5
176.07054	6.7
177.05499	1.3
185.06709	1.0
186.09167	1.3
188.07069	1.9
190.04994	3.2
192.06642	1.2
200.07150	1.2
202.08598	2.6
204.06572	5.7
204.10184	0.9
206.08092	1.2
207.06538	2.7
208.09644	3.9
209.72038	0.9
210.09045	1.4
210.11476	1.4
211.12236	2.9
212.13023	1.0
213.10226	2.4
218.08032	1.7
221.10507	1.1
222.11438	2.1
223.08617	1.5
223.12279	6.5
224.13062	2.3
225.10133	5.6
225.13814	4.0
226.08768	1.0
226.10905	1.9
227.08153	1.7
227.11807	7.6
228.06544	1.7
229.13350	1.2
230.08168	1.4
234.11510	1.1
235.08592	3.4
235.12271	3.0
236.09331	1.8
236.12923	2.0
237.10204	10.3
237.13844	5.9
238.10861	7.4
239.11818	16.1
239.15407	1.4
240.12469	4.7
241.13364	3.7
242.05809	1.2
243.11319	1.6
244.09802	1.3
248.10844	1.0
249.10178	7.5
249.13918	1.5
250.10902	11.4
251.11789	39.5
252.12526	8.7
253.09535	2.2
253.13313	17.7
254.14131	2.3
257.04434	8.7
258.05170	2.6
261.12369	3.2
262.10938	1.7
263.11804	15.2
264.08939	3.2
264.12546	6.1
265.09747	10.1
265.13342	36.7
266.10544	9.6
266.13681	5.8
267.11374	8.3
267.14789	5.7
268.11932	2.8
269.09164	1.0
269.12799	3.3
271.14334	1.6
274.10663	1.7
275.11737	3.7
276.12646	1.6
277.09924	5.9
277.13181	6.8
278.10501	7.5
278.13959	1.1
279.11258	51.8
280.12039	10.4
281.12820	11.0
282.13443	2.0
283.10822	1.3
283.14413	2.3
284.11566	1.4
285.03949	2.2
285.12228	1.9
286.04779	6.3
287.05594	4.6
287.13885	2.3
289.09711	1.4
289.13300	1.5
291.11301	10.3
292.11960	9.0
293.12820	26.1
294.13574	4.4
295.10767	3.3
295.14386	9.3
296.11679	3.1
297.03979	1.1
297.12332	10.1
298.13141	2.4
299.13992	5.1
303.11203	2.0
305.12701	3.4
306.09964	1.4
307.10687	2.8
307.14246	1.9
308.11487	1.2
309.12277	6.7
310.12979	13.4
311.13876	18.7
312.14719	2.0
313.11813	2.7
313.15421	5.4
317.12701	1.6
319.10776	5.3
319.14383	2.1
320.11548	2.9
321.12320	27.9
322.13046	1.8
323.13828	3.1
325.11777	2.0
325.15222	1.2
333.12369	2.3
335.13776	2.0
336.10989	1.5
337.11954	6.1
337.15564	1.7
338.12546	3.1
339.13397	21.9
340.14340	1.2
341.15097	1.9
342.16418	1.1
343.13849	1.2
344.13916	1.7
351.13284	2.9
353.14929	7.6
355.16907	1.3
356.13876	1.4
357.15372	1.2
358.15466	1.3
359.16837	1.0
365.14822	2.7
369.14462	2.8
370.15393	1.2
371.16092	7.1
372.16910	2.0
377.14960	1.9
379.12610	2.1
379.16937	1.0
381.14493	7.8
382.15378	2.1
383.15878	1.7
386.18799	1.4
393.14194	1.2
394.14697	1.4
395.16241	4.8
396.16470	1.5
397.17572	3.1
399.16281	1.0
400.16348	5.7
401.16599	0.9
403.16547	2.7
407.16025	1.4
409.18015	1.4
411.15570	2.2
413.17285	5.0
414.18054	2.9
415.18478	1.6
418.17377	0.9
419.16052	4.7
420.18292	1.2
421.17770	7.2
423.15152	5.0
424.16415	1.8
425.16818	1.9
430.17551	1.1
432.18903	1.9
433.19635	1.8
435.15488	2.0
436.16443	1.3
437.17157	12.4
438.17627	1.3
439.18964	9.2
441.16504	8.8
442.17593	3.9
443.17780	1.7
445.13644	1.4
447.10312	4.5
447.15921	5.6
448.18457	1.2
453.16833	3.9
454.17169	3.3
455.18082	14.5
456.18576	1.8
457.19824	1.4
460.18469	4.6
462.20059	3.5
463.14902	7.7
464.15741	3.4
465.11511	22.2
465.16589	33.4
466.17316	1.9
469.15747	1.1
478.19409	2.4
480.21225	1.8
481.16037	17.1
482.16791	4.4
483.17636	73.6
484.18213	3.5
494.22687	1.5
497.19193	10.2
502.19586	1.4
513.18677	1.8
515.20270	22.7
520.20764	1.0
522.22406	1.2
540.21320	1.8
542.22632	3.6
544.24518	1.1
558.22046	2.5
560.23883	7.0
562.25305	1.9
568.20911	5.9
570.22357	1.3
573.22882	6.7
574.22095	1.3
575.24591	17.0
576.23578	1.8
578.24884	3.0
583.25055	2.9
585.22919	1.6
586.21808	19.4
587.21887	1.4
588.23566	5.5
592.22211	1.4
600.22925	2.8
601.26556	4.6
604.22894	37.8
605.23230	2.8
606.24500	15.2
618.23962	4.4
619.24908	1.3
622.23969	24.3
623.23920	1.8
624.25446	16.3
625.22638	4.4
636.25323	6.8
638.27716	1.4
643.27539	2.3
654.26611	4.5
655.26630	1.5
656.27948	2.3
659.26135	2.2
683.30310	3.3
691.27087	4.2
709.28705	21.9
710.27008	1.4
727.29614	24.5
728.27307	2.5
741.31018	7.1
745.30774	40.0
746.27960	10.6
759.32373	2.0
764.28815	6.5
766.30499	9.8
773.22174	2.5
777.33112	4.3
869.33752	2.8
887.35632	57.4
888.35254	2.5
919.37811	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	918.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.4
66.00387	2.0
67.05502	66.7
67.77868	2.0
69.03437	4.6
69.07063	14.1
69.73333	1.8
70.06563	3.8
71.04977	4.3
71.60836	3.0
73.71737	2.0
79.05060	2.8
79.05492	43.6
81.03418	15.9
81.06580	3.1
81.07056	59.9
83.04970	5.4
83.08604	11.3
85.02906	8.6
85.06563	2.6
87.02771	1.9
91.05477	40.4
93.07043	51.8
95.01321	12.6
95.04960	14.0
95.08610	42.9
97.02867	8.2
97.06546	4.8
97.10163	3.9
99.00778	3.0
99.08081	3.7
101.02390	1.9
103.05472	2.7
105.07024	28.0
107.04951	12.5
107.08593	25.2
109.02864	4.4
109.06502	4.9
109.10154	26.2
111.04414	4.4
111.08093	2.8
115.05423	3.5
117.07005	12.4
119.04916	2.5
119.08584	23.4
121.02896	2.1
121.06496	11.4
121.10150	18.9
122.24738	1.9
123.04434	5.7
123.08054	5.4
123.11700	5.0
125.02392	4.2
125.09603	3.9
127.03907	5.6
129.07004	7.7
131.04880	5.5
131.08566	18.0
133.06480	5.7
133.10146	22.2
135.04413	5.4
135.08012	5.8
135.11703	11.3
137.05986	3.8
137.09598	2.8
139.07594	2.1
141.06949	5.2
143.08522	6.8
145.06451	5.4
145.10127	11.3
147.04379	8.6
147.08040	3.1
147.11729	10.7
149.05974	4.2
149.09648	4.5
149.13237	7.7
151.03896	5.9
151.11172	4.9
155.08502	2.7
155.33754	1.9
157.10101	6.7
159.04347	2.6
159.11633	9.6
161.05992	3.9
161.09622	7.4
161.13231	6.0
163.03870	4.0
165.53839	1.9
169.04996	5.5
169.06468	2.1
169.10121	3.5
171.04468	2.4
171.11697	4.6
173.05974	3.1
173.11806	3.1
173.13252	5.8
175.03894	5.7
175.11162	3.5
175.14871	3.2
177.12772	3.8
179.10780	3.1
185.09554	3.7
185.13208	2.8
187.11191	5.4
187.14691	3.4
189.09268	3.0
193.04919	2.3
193.12173	6.1
195.11693	2.6
199.11241	2.8
203.06987	2.3
205.12260	3.6
207.13734	3.2
215.10670	4.1
217.12149	4.2
225.11200	5.7
227.10786	2.2
233.11705	4.6
241.12238	3.6
243.21132	4.6
245.11966	3.9
259.13394	2.6
259.20480	3.4
261.11224	2.2
261.22141	16.3
287.12878	11.4
289.14310	3.7
299.14890	35.1
305.13788	5.4
315.12134	6.9
317.24814	4.0
333.13351	13.0
333.24289	3.6
335.25806	100.0
336.26047	3.1
351.14478	14.7
381.24619	2.2
407.16757	11.0
425.18076	20.7
443.19125	19.3
467.31619	2.7
527.37158	5.8
539.33441	2.4
541.34998	4.2
545.38080	3.9
559.36377	15.0
593.34625	2.9
611.35767	7.0
613.37531	2.2
623.39032	5.9
631.38306	2.4
667.38342	30.6
685.39532	53.5
686.39240	4.2
703.40411	59.3
704.40430	3.8
721.40955	6.2
847.43427	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	918.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	1.2
67.05505	17.0
69.03428	4.4
69.07070	5.1
70.06366	2.2
71.04992	3.3
74.69319	0.6
77.03936	0.8
79.05497	20.0
81.03419	48.0
81.07058	16.0
83.04987	5.1
83.08618	14.9
85.02898	3.0
85.06519	1.3
87.04401	1.0
91.03936	1.2
91.05481	16.9
93.07046	17.9
95.04969	23.4
95.08072	0.8
95.08605	9.4
97.02893	3.9
97.06544	3.1
97.10172	15.4
99.04418	1.0
103.05434	1.2
103.20860	0.5
105.06407	1.0
105.07029	12.3
105.92065	0.6
107.04962	13.8
107.08595	10.9
109.02805	2.0
109.06520	7.8
109.10154	6.6
111.04381	2.0
111.08084	4.7
115.05415	1.5
117.03353	1.0
117.07010	7.0
119.04934	3.3
119.07824	0.7
119.08579	10.6
121.06514	9.8
121.09455	0.6
121.10136	7.0
123.04464	2.9
123.08054	4.0
123.11689	1.1
125.05978	0.9
125.09636	12.6
127.03863	2.0
128.06165	1.1
129.07013	6.7
131.04881	2.7
131.08578	10.0
133.06496	4.8
133.10138	5.1
135.08060	5.9
135.11646	2.1
137.05984	3.2
137.09576	1.3
139.11079	1.1
140.07072	0.9
141.06985	1.6
142.07750	1.3
143.05644	9.7
143.08562	3.1
145.02809	2.7
145.06458	5.7
145.10120	5.0
147.04399	4.2
147.08072	5.6
147.11678	5.8
149.05972	0.7
149.09619	4.0
153.09090	3.4
153.12737	1.4
155.08549	1.5
157.06451	1.6
157.10130	7.5
159.07993	2.0
159.11636	1.8
161.05910	1.5
161.09567	1.5
163.06068	1.1
163.07423	0.9
163.11150	5.0
165.12682	1.6
167.07108	3.6
167.08330	1.0
167.10597	0.9
168.07210	0.6
169.06404	0.8
169.10088	1.7
171.08017	1.6
171.10196	0.9
171.11644	1.8
173.09630	1.9
173.13278	1.5
175.03867	2.5
175.07570	1.0
175.11200	6.7
177.05476	5.5
177.12685	1.5
178.05769	0.9
181.10109	1.5
183.08014	0.8
183.11578	1.1
185.09598	0.8
185.13194	1.2
187.11157	1.6
187.14822	1.1
189.11240	7.2
189.12737	1.3
191.10559	1.2
191.14293	1.5
193.12254	15.1
195.11725	1.5
197.09550	1.0
197.13194	1.1
199.11198	2.0
199.13065	0.7
199.14838	0.7
201.12581	0.8
205.12187	2.3
207.06516	5.3
207.13734	0.9
211.13229	1.2
213.12712	0.9
215.14249	2.7
217.12189	1.8
219.13893	2.9
223.13258	1.5
225.10272	1.0
227.12648	2.4
233.15388	4.0
235.13245	2.2
237.12646	1.1
237.14769	1.2
249.14833	1.1
251.11850	0.9
255.13794	1.8
259.13300	2.1
263.16348	1.0
265.13510	0.8
266.13766	1.1
266.55438	0.6
267.15918	43.9
269.15234	0.6
271.16818	0.9
273.14743	6.3
273.17065	0.8
275.16492	1.2
279.11182	1.2
281.00214	0.7
281.15317	0.8
283.17111	0.7
287.05493	0.9
288.05661	0.6
293.17285	0.7
309.16910	1.1
315.72955	0.6
321.22046	0.9
331.20486	0.7
339.10455	0.8
339.23187	3.8
349.21539	4.4
357.24185	2.8
367.22699	12.7
385.18655	1.3
385.23737	23.5
397.22516	0.7
403.24826	6.7
423.25354	0.9
441.26398	8.9
459.27423	100.0
460.27756	2.3
477.28491	91.7
478.28922	1.4
491.30048	12.4
501.28674	5.0
509.31110	5.4
513.28455	2.0
513.90906	0.7
519.29761	0.7
531.29590	1.3
534.20581	0.8
541.33496	1.0
543.29803	1.4
555.29602	1.3
567.29486	4.4
573.30688	1.2
585.30591	1.4
603.31909	1.1
623.22870	0.7
636.25970	1.4
656.27203	1.2
887.36658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.9
66.39817	1.0
67.05511	5.9
68.99825	0.9
69.03424	6.5
69.07066	2.7
70.06580	1.3
70.96036	1.6
71.04982	1.6
73.02923	1.5
79.05495	3.8
81.03421	8.5
81.07053	4.1
83.04983	1.3
84.08127	1.1
85.02906	7.4
89.03909	1.3
91.05481	8.6
93.07039	2.5
94.06558	5.0
95.04980	3.3
95.08623	2.0
97.02907	5.9
97.06543	1.7
99.04441	1.7
103.05476	2.3
105.07043	5.2
106.06575	1.5
107.04939	2.7
107.08604	2.3
108.08119	6.5
109.02877	9.3
109.06485	1.3
109.10130	1.8
111.04418	1.9
117.03350	2.5
118.06516	1.4
119.04948	5.2
119.08562	2.0
120.04430	2.1
120.08114	3.3
121.02840	1.4
121.06521	1.6
121.10119	1.2
122.06027	13.4
123.04443	1.4
123.08084	1.3
124.07592	1.1
125.02395	1.6
125.05956	2.3
127.03909	7.4
128.06232	1.0
131.04951	1.4
131.08588	1.9
133.02840	1.5
133.06476	1.2
133.10164	1.2
134.06032	4.5
135.04388	1.4
135.11734	1.4
136.07588	8.1
137.06027	4.8
138.05450	1.2
139.03848	1.1
140.04683	3.1
140.07074	3.5
141.05467	1.4
142.04976	1.0
143.05652	9.7
145.02876	6.4
145.06512	1.2
145.10110	1.6
146.06007	3.3
146.09694	1.4
147.04420	7.2
148.07567	7.7
149.05991	2.1
149.09515	1.1
151.03934	1.2
152.07074	2.0
153.05504	3.3
161.05994	1.8
163.03905	1.9
164.07063	3.1
166.08638	2.7
167.07031	11.3
167.08263	1.3
168.07414	1.1
172.03905	1.3
172.07573	1.0
174.05495	2.9
174.09200	1.2
175.03917	8.4
175.07491	1.0
176.07109	1.7
177.05478	9.3
178.08673	1.1
179.07121	1.3
182.09612	1.1
188.07011	1.2
190.04977	1.7
190.23955	1.0
193.08641	1.4
197.10686	1.3
198.09312	1.4
201.05653	1.0
202.08682	1.2
204.06549	2.6
206.08194	1.0
207.06519	15.4
208.06905	1.3
208.09703	1.4
209.10788	2.5
210.11322	1.5
211.08647	1.3
211.12355	2.8
213.10222	2.7
220.09827	1.0
221.10730	2.0
222.11333	1.9
223.08708	6.1
223.12151	6.2
224.09349	2.2
224.13083	2.9
225.10185	16.0
225.13846	3.1
226.10992	4.0
227.07744	1.1
227.11732	5.0
234.11551	1.2
235.08612	6.3
235.12315	3.4
236.09355	6.7
236.12991	1.4
237.10237	16.1
237.13817	6.1
238.10985	13.4
238.14783	1.3
239.11789	25.0
240.12563	5.8
241.09712	1.4
241.13426	2.7
247.12256	2.1
248.09424	4.2
248.13034	1.3
249.10217	15.0
249.13782	2.2
250.10966	18.8
251.08138	3.6
251.11800	52.8
252.12517	11.2
253.09680	2.6
253.13356	17.5
254.10698	1.2
254.14078	2.8
262.11057	2.8
263.08878	1.2
263.11801	34.6
264.08917	3.1
264.12570	8.2
265.09781	13.6
265.13370	60.1
266.10684	6.1
266.13910	6.7
267.11407	7.8
267.14722	6.8
268.11929	1.9
268.15948	1.1
268.25311	1.0
269.12735	2.6
271.06036	4.0
271.14828	1.1
274.10776	2.4
275.11795	3.5
276.10071	1.3
276.12637	2.4
277.09805	7.6
277.13348	6.0
278.10620	6.8
278.13995	1.8
279.11288	41.8
280.12021	7.2
281.10052	1.8
281.12906	12.7
282.13583	1.9
283.10840	7.3
283.14352	3.0
285.12357	4.2
285.15485	1.2
286.04736	2.3
287.05609	6.3
289.13309	1.5
291.11310	10.1
292.12018	4.4
293.12808	25.7
294.13596	3.4
295.10776	5.1
295.14407	7.6
296.11401	4.5
297.12390	13.5
298.13077	4.4
299.13919	8.0
301.07077	8.1
301.13046	1.1
303.11258	1.5
305.12759	1.4
306.10080	1.3
307.10703	4.0
307.14346	2.2
308.11407	1.5
309.12344	15.4
310.13046	6.8
311.10278	2.2
311.13901	40.4
312.14502	3.0
313.15463	5.1
315.11212	1.4
319.10876	6.4
319.14346	1.2
321.12335	12.1
322.12866	1.3
323.14066	5.5
324.14505	2.3
325.11804	1.3
325.15479	1.5
327.13635	1.9
333.12543	2.2
335.13724	1.6
337.11887	6.1
338.12592	3.0
339.13382	9.6
341.15048	2.8
342.16068	1.5
344.13986	3.6
351.13342	3.9
352.14200	3.1
353.14963	13.7
354.15659	1.7
355.16595	1.7
356.13724	1.4
357.14401	2.1
358.15579	1.8
359.16071	1.4
360.17181	1.5
366.15955	1.2
369.14642	12.0
370.15387	2.3
371.16068	20.8
372.17096	5.6
374.18509	1.2
375.13510	1.3
377.15268	1.8
381.14572	2.6
383.15967	2.3
386.18790	3.7
391.16574	1.3
393.14233	1.8
395.16245	1.9
400.16379	2.6
407.16013	1.4
409.17844	1.4
411.15289	4.5
413.16977	5.8
414.18365	5.4
416.19629	2.9
419.15863	2.3
423.15536	1.8
424.16263	1.4
427.18811	1.9
432.19183	6.1
435.15738	3.8
437.16934	7.9
440.16107	3.3
441.16562	5.6
442.17520	5.1
443.18652	1.8
447.15210	1.8
449.17230	1.5
453.16574	8.5
454.17227	2.3
455.18161	16.5
456.18881	2.7
460.18549	3.9
463.15289	4.8
464.16068	1.2
465.16699	9.1
471.17728	1.2
473.18994	2.2
474.20346	9.6
479.17969	2.2
481.16183	8.2
482.16769	2.9
483.17542	13.0
492.21246	9.4
494.22833	3.7
495.17413	4.6
497.19098	10.2
502.19629	1.4
513.18683	14.0
514.19196	2.6
515.20227	31.1
534.22308	14.0
540.21332	2.4
542.22864	2.7
558.22156	5.7
560.23926	1.7
568.20868	7.5
576.23132	2.6
582.22522	1.2
583.25415	1.6
586.21912	24.3
587.21881	1.4
588.23389	7.0
594.24518	5.1
595.22552	1.3
600.23413	41.6
601.24011	10.9
602.24530	4.3
604.22864	17.9
606.24451	8.3
615.28223	1.9
618.24463	46.6
619.25177	22.7
620.26282	6.9
621.20984	2.9
622.24158	4.6
623.22528	4.9
624.25250	4.0
636.25507	100.0
637.25995	8.4
638.26917	1.9
653.23358	10.9
654.25348	2.2
655.25031	25.0
656.26550	1.6
675.30121	2.0
681.29156	3.5
691.27325	2.8
709.28613	13.3
723.30237	22.3
724.30139	1.2
727.30219	5.3
740.27484	1.7
741.31219	25.9
742.31256	1.5
743.29706	2.1
744.27704	7.8
745.31451	4.7
758.29901	1.5
759.32092	4.0
762.28339	7.4
776.30188	26.6
777.33258	5.9
794.31635	1.7
885.34576	3.2
917.29211	1.7
917.44983	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.8
66.12679	0.7
67.05500	3.0
69.03419	3.9
69.07075	4.0
70.06595	0.9
71.60882	1.6
73.02897	1.4
79.05486	2.2
80.05009	1.2
80.25240	0.7
81.03049	0.7
81.03426	7.3
81.07053	2.5
83.04967	1.0
85.02891	3.0
85.34418	0.8
87.00832	1.0
87.06727	3.6
87.95934	0.8
91.05484	6.3
93.07027	2.0
94.06586	5.5
94.07107	0.9
95.04971	3.1
95.08604	1.8
97.02882	4.1
99.04451	1.9
103.05479	1.5
105.07040	2.6
107.04958	1.3
107.08627	1.9
108.08118	3.4
109.02851	4.7
109.10130	1.4
111.04420	1.2
118.06560	1.1
119.04941	3.6
119.08551	1.4
120.04514	1.5
120.08105	1.9
121.06491	0.9
121.10135	0.9
122.06033	13.9
123.04408	2.2
124.07558	0.9
127.03915	5.7
129.06976	1.1
130.06546	0.7
131.04913	1.8
131.08545	1.0
133.06477	1.2
133.10075	1.1
134.06012	2.7
134.09531	0.9
135.04373	1.1
136.06206	1.8
136.07552	3.0
137.05992	4.6
138.05452	3.7
140.07060	12.8
141.04044	1.5
142.04890	3.8
143.05649	83.3
144.04388	1.0
144.08037	1.1
145.02881	3.7
145.05013	1.0
146.06020	12.0
147.04422	5.5
147.11668	1.2
148.07582	4.0
149.06029	1.2
151.03867	1.2
151.07579	0.9
159.07959	0.9
160.07597	1.2
161.05925	1.9
162.05524	1.7
162.09114	1.1
163.03938	1.8
164.07114	1.2
167.07063	9.0
172.03937	7.4
172.07571	2.4
174.05515	10.7
175.03909	4.9
176.07054	4.2
177.05470	6.7
179.07068	1.2
181.04977	1.2
181.08696	0.8
182.09671	2.6
183.10490	1.0
184.09853	1.0
184.11279	1.1
185.10799	0.8
186.09108	1.8
190.04990	2.7
191.05704	1.9
192.06554	1.6
193.06792	0.7
193.08678	1.2
197.10698	2.4
198.11497	1.1
199.08643	1.3
199.12321	10.5
204.06586	9.4
206.08131	2.9
207.06529	11.4
208.06960	1.4
208.09758	1.7
209.10736	1.4
210.09183	1.6
211.08598	3.9
211.12285	1.3
212.07141	1.0
212.09331	4.8
213.10246	1.7
214.08742	0.8
216.10135	1.2
221.10593	1.0
223.08513	0.9
223.12373	1.0
224.10992	1.0
224.12958	0.9
225.10280	7.7
226.10945	2.7
227.11792	85.1
228.06607	1.4
228.12292	1.3
235.12283	0.9
237.10242	5.3
238.10983	2.4
239.11824	7.1
240.12473	1.8
241.13422	5.6
243.11206	1.1
249.10228	2.6
250.10915	1.5
251.11789	6.7
252.12514	1.9
253.09827	5.1
253.13417	3.0
255.11288	2.7
261.12369	2.1
263.08224	3.0
263.11652	1.8
264.09006	1.7
264.12274	0.9
265.09750	6.0
265.13303	2.6
266.10547	1.3
267.11365	6.0
269.12854	22.1
271.06223	3.9
271.10794	5.8
275.11685	1.3
277.09802	3.7
278.10248	1.2
279.11249	7.8
280.11887	1.1
281.12717	2.1
283.10818	3.5
283.14087	1.4
284.11761	2.4
285.12219	4.6
286.13095	2.5
287.05508	4.9
287.13904	12.0
291.11191	1.0
293.12726	3.0
295.10809	1.6
297.12366	6.4
298.13196	1.8
299.14050	6.8
301.07104	1.3
303.04916	0.9
307.10782	1.0
309.12274	0.9
311.13974	2.9
312.14969	1.0
313.11832	6.1
314.12955	2.1
315.13678	1.8
316.14536	3.9
320.96631	0.8
321.12436	3.0
323.10208	1.5
323.13803	1.4
325.11816	1.5
326.13071	1.2
326.16647	1.2
327.13971	1.7
328.14392	3.2
328.90289	0.9
329.11621	1.2
329.15045	11.3
330.12296	3.6
330.16037	4.9
331.13000	2.3
331.16800	3.5
332.17511	2.1
335.13809	1.4
337.11978	1.4
339.13397	2.8
340.14420	1.7
341.15375	2.3
342.12366	5.2
342.16031	2.4
343.12909	4.0
343.16891	1.1
344.13855	3.4
344.17621	3.4
345.14630	3.9
345.17984	0.9
346.15475	1.1
352.14401	2.7
353.15021	2.6
354.16022	1.9
355.13455	1.5
355.17502	1.1
356.13916	5.6
356.17770	1.6
357.14624	2.7
358.15454	11.3
358.19519	1.2
359.15936	1.1
360.17035	1.6
363.13171	0.9
365.10916	0.8
365.15189	1.8
366.16034	2.1
367.12842	2.1
367.16595	2.2
368.13800	2.0
368.17795	1.8
369.14746	2.4
370.11612	1.1
370.15656	7.0
371.16360	4.3
372.13245	0.9
372.17139	6.4
376.16507	1.5
377.14960	3.0
379.13065	0.9
380.14017	1.9
381.14682	1.9
382.11734	3.2
382.15616	2.2
383.12573	3.5
384.13263	8.3
384.17056	1.1
385.14087	3.5
386.14603	3.7
388.16571	1.7
390.18042	1.9
392.19717	2.1
394.15649	2.0
395.16141	16.0
396.12897	1.4
396.17410	1.6
397.18213	1.5
398.14954	17.8
399.15723	15.7
400.16568	22.2
401.17084	2.4
402.14175	0.8
411.15735	1.5
412.16522	2.9
413.17154	21.5
413.22217	0.7
414.18082	3.2
416.15530	1.0
416.20227	1.0
417.16721	1.2
418.17749	6.0
422.15021	3.2
424.16510	1.5
430.17221	2.8
431.18164	20.2
432.18878	2.9
439.15039	1.1
440.16013	5.2
441.16888	3.7
442.17722	2.2
445.16214	1.1
447.15552	1.2
450.20297	1.3
455.16913	3.3
458.16776	4.7
459.17749	2.1
460.18549	2.9
465.16345	1.4
483.17361	1.3
486.20792	1.0
497.19431	1.9
498.20084	1.2
500.18164	1.5
515.20276	3.5
516.21387	1.2
526.19360	1.5
530.19220	0.9
534.22784	1.3
536.23920	1.1
540.21033	1.7
541.22040	1.2
544.20227	2.0
555.27539	0.9
556.21075	1.7
558.22040	2.5
559.22882	1.3
560.20703	1.1
561.21014	1.2
562.21722	1.8
566.19275	4.8
567.20056	1.4
568.21124	1.1
573.23053	100.0
574.22467	2.7
575.23328	1.1
581.23444	3.8
584.20178	6.2
585.20551	2.6
586.21918	3.0
599.24957	4.0
602.21259	13.3
603.22040	7.7
604.22961	7.7
617.23584	1.4
622.24384	1.3
625.22418	2.6
634.23669	2.1
635.24792	2.0
636.25269	2.3
641.26263	3.8
657.25067	4.4
663.27716	1.8
679.26758	1.0
681.29309	6.8
689.26556	6.3
699.29968	5.0
707.27136	41.9
708.26959	2.7
725.28265	29.3
726.27075	1.3
739.29431	3.4
743.29230	59.6
744.27185	5.1
745.25421	1.3
757.30377	3.0
764.28632	1.1
775.31976	7.1
776.30383	1.1
843.32880	0.9
867.32074	2.1
885.34064	19.9
917.31012	5.1
947.31970	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	5.8
69.03429	4.3
69.07079	1.1
70.06582	1.2
71.04976	0.9
71.61109	1.2
75.02060	0.8
78.04771	0.8
79.05492	2.2
80.55810	0.8
80.59413	0.9
81.03423	7.5
81.07048	2.6
83.04977	1.1
85.02908	2.8
91.05483	5.6
92.98701	0.8
93.07053	1.4
94.06565	4.8
95.04960	2.5
97.02884	3.3
105.07036	2.1
106.06565	1.1
107.04964	1.5
108.01995	0.8
108.08127	6.0
109.02879	4.0
109.10143	1.1
117.03391	1.6
119.04932	3.8
120.04498	1.6
120.08141	2.1
121.06505	1.1
121.10113	1.6
122.06020	13.6
123.04442	1.2
124.07547	1.2
125.05942	0.9
127.03893	4.0
131.04884	0.9
132.08165	1.0
133.10110	1.0
134.06027	2.9
136.07607	8.1
137.06012	1.4
140.00383	0.9
140.07085	2.2
143.05627	10.2
145.02831	3.3
146.06000	2.8
146.09679	1.0
147.04398	5.5
148.07530	4.4
152.07126	1.3
154.08609	1.3
162.09082	0.9
163.03830	0.9
164.07030	2.0
166.08621	3.5
167.07056	3.2
174.05496	2.3
174.09142	2.0
175.03860	6.0
177.05460	6.7
182.09720	1.4
186.05461	1.0
186.09161	1.0
190.04985	1.4
204.06487	1.8
206.08075	1.5
207.06511	13.0
209.10698	1.5
210.09361	1.1
210.11450	1.0
211.08676	1.5
211.12350	2.8
212.09326	1.0
213.10165	1.3
214.08813	1.0
220.09747	1.3
221.10754	2.1
222.11348	2.1
223.08766	5.0
223.12285	4.0
224.09267	1.9
224.13057	1.1
225.10226	16.0
225.13800	1.8
226.10957	2.2
227.08223	1.5
227.11749	4.8
232.09785	2.0
234.11531	1.5
235.08682	5.0
235.12276	2.4
236.09268	4.2
236.13080	2.2
237.10231	14.5
237.13768	4.6
238.10890	9.8
239.11772	14.7
239.15451	1.6
240.12555	4.0
241.09799	1.7
241.13391	2.3
246.11520	1.1
247.12387	2.5
248.09442	3.7
248.13155	1.1
249.10211	13.8
250.10995	15.6
251.08118	6.2
251.11806	44.6
252.09303	0.8
252.10104	1.1
252.12500	8.1
253.09691	2.8
253.13361	12.7
254.14169	1.5
261.10190	1.2
262.10950	2.1
263.11789	25.3
264.09045	2.3
264.12582	6.2
265.09784	10.5
265.13367	45.2
266.10605	5.4
266.13950	6.2
267.11395	5.3
267.14804	4.9
268.11984	1.7
269.12781	1.8
271.06042	2.2
275.11810	3.9
277.09702	6.5
277.13333	3.3
278.10419	7.4
279.11249	26.1
279.14395	1.6
280.12033	5.6
281.12817	9.0
282.13699	1.4
283.10806	7.3
283.13834	1.4
284.11551	1.7
285.12360	2.2
287.05487	1.8
287.11609	1.3
289.13226	1.8
291.11255	9.1
292.12015	3.0
293.09659	1.9
293.12839	21.9
294.13617	3.0
295.10779	3.9
295.14410	6.8
296.11685	3.5
296.14990	1.0
297.12363	10.1
298.13232	5.4
299.13962	7.5
301.13235	1.4
303.11176	1.1
305.12866	2.2
307.10818	4.0
307.14395	2.0
309.12405	12.1
310.12976	4.6
311.13922	30.4
312.14511	1.9
313.15457	2.8
315.14716	1.4
316.14548	1.1
317.12860	1.2
319.10773	5.4
319.14316	1.8
320.11679	1.0
321.12326	11.5
322.13132	1.4
323.13953	3.3
324.14551	2.1
325.11655	1.2
325.15457	2.0
335.13715	1.9
336.10565	1.0
336.14752	1.2
337.11832	5.1
338.12555	2.1
339.13437	10.0
340.14209	1.5
341.15118	2.2
344.13925	3.5
351.13324	4.6
352.13971	2.0
353.15030	11.2
355.16641	1.7
356.13968	1.8
357.14893	2.7
358.15546	2.0
359.16248	1.0
365.15015	1.2
369.14554	7.9
370.15274	2.5
371.16040	19.9
372.17047	3.6
373.17734	1.1
378.15854	1.1
381.14328	2.8
382.15598	1.1
383.16153	1.5
386.18668	3.2
387.15997	1.2
389.15430	1.1
395.16263	2.0
396.17221	1.7
400.16333	3.1
405.14496	1.5
411.15454	3.6
412.16760	1.5
413.17056	7.6
414.18237	6.7
416.19800	2.8
418.16763	1.1
419.16034	1.6
423.15176	1.8
425.16794	1.5
427.18820	1.3
430.17886	1.5
432.18951	4.1
435.15512	3.7
437.17032	6.3
440.15659	1.9
441.16458	2.6
442.17480	3.5
443.18027	1.3
447.15421	3.7
449.18665	1.0
453.16702	5.4
454.17355	1.9
455.18088	12.7
460.19025	5.1
461.17395	1.7
463.14984	1.5
465.16592	6.1
473.19366	1.1
474.20300	8.2
478.17352	2.0
479.17981	2.9
481.15717	6.1
482.16321	1.2
483.17752	10.1
490.19647	1.2
492.21439	9.0
494.22668	1.6
495.17578	4.1
497.19092	7.6
502.19757	2.0
513.18640	16.4
514.19220	4.5
515.20245	32.1
516.20520	1.5
529.15436	2.2
533.21021	3.4
534.22278	15.3
540.20789	3.9
542.22821	2.4
558.22449	4.8
560.23346	2.8
568.20728	6.9
570.22339	1.7
576.23096	3.1
582.22882	1.4
586.21930	19.7
587.22626	1.5
588.23438	7.9
594.23645	1.1
600.23401	48.8
601.24225	14.5
602.25165	4.9
604.22827	18.7
606.24255	4.0
615.28046	1.2
618.24469	43.3
619.25287	30.4
620.26007	8.0
622.23730	1.5
624.25067	1.7
636.25513	100.0
637.26367	6.7
641.09369	1.2
643.27478	1.3
653.23767	2.7
654.27142	1.2
655.26801	2.3
663.27325	1.7
681.29132	4.0
691.27521	6.5
709.28638	14.9
723.30219	31.6
727.29382	4.1
741.31348	29.5
742.25568	4.8
745.29938	1.6
759.31415	2.7
774.28613	3.5
775.31165	1.8
777.32819	2.9
915.39166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	12.0
67.19881	0.8
68.55068	0.8
69.03416	2.0
69.06779	0.7
69.07076	6.1
71.04989	1.5
71.08633	18.0
73.32126	0.7
77.77075	0.7
79.05491	7.3
81.03420	53.6
81.07056	14.8
82.03726	0.9
83.04964	2.9
83.08618	18.7
85.02916	5.2
85.06535	1.0
85.10178	11.9
89.06039	1.0
91.03947	3.6
91.05482	9.6
93.07059	5.4
95.04973	16.8
95.08612	16.8
97.02887	3.3
97.10186	5.9
103.07611	1.4
105.07037	7.1
107.04951	4.2
107.08578	3.4
109.06486	2.9
109.10155	6.8
111.04473	1.9
111.08105	4.8
115.05450	0.9
119.08583	6.6
121.06461	1.9
121.10140	2.9
123.04449	1.1
123.08036	1.1
123.11717	3.6
124.64787	0.9
125.09643	1.1
127.03940	1.9
129.07028	5.3
131.08598	5.6
133.06474	1.4
133.10141	2.1
137.13248	1.4
142.07693	1.3
145.04951	1.7
147.08038	1.3
147.11684	5.0
149.09598	2.4
157.10129	6.7
163.06039	2.2
165.12833	1.3
175.11200	7.9
193.12251	24.1
203.38519	0.7
211.13306	1.7
229.38051	0.8
235.13246	1.8
239.23621	1.8
249.14844	2.0
257.24789	1.9
259.13336	1.5
267.15924	98.7
268.16113	1.7
301.14224	1.8
309.16940	3.0
313.27374	100.0
333.16824	1.5
375.17691	1.2
505.38901	94.0
506.38712	1.9
523.39880	1.4
547.40125	6.6
601.40601	2.6
604.18793	1.0
613.40442	1.7
631.41656	2.0
649.43445	1.0
914.52295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	12.2
67.13855	0.7
69.03409	2.3
69.07077	6.0
69.26543	6.7
69.26947	1.8
71.04961	1.2
71.08633	21.2
73.02908	1.5
78.00569	0.9
79.05494	8.4
81.03417	53.8
81.07058	14.8
83.04985	3.9
83.08156	1.1
83.08620	17.7
85.02895	4.4
85.10183	12.0
86.72870	0.6
87.48600	0.7
89.06036	1.4
91.03950	3.8
91.05478	9.1
92.39815	0.7
93.07046	4.6
95.04968	16.1
95.08604	17.3
97.02892	4.0
97.06520	1.5
97.10146	3.0
99.11720	0.9
105.07036	7.8
107.04940	3.2
107.08595	1.9
109.06493	1.4
109.10156	7.6
110.47650	0.8
111.08057	4.6
111.11774	1.0
115.05447	0.8
117.07036	1.8
117.09154	1.2
119.08588	8.3
121.06505	1.6
121.10133	3.5
123.04386	2.0
123.08056	0.8
123.11710	3.2
127.03871	1.6
128.06140	1.1
129.07005	5.6
131.08571	5.8
133.06482	1.8
133.10117	2.3
137.09583	1.2
137.13258	1.3
142.07780	1.8
145.04944	1.9
145.10123	1.4
147.04434	1.0
147.08038	1.0
147.11691	5.0
149.09598	3.2
157.10112	8.7
163.05991	1.9
163.11174	1.1
165.12830	1.0
175.11186	7.1
193.12238	22.7
207.13737	1.1
211.13049	1.7
235.13272	1.4
239.23578	2.0
249.14838	1.3
257.24750	1.6
259.13370	1.7
267.15912	100.0
268.16098	1.4
273.14798	1.3
301.14310	1.6
309.16962	3.0
313.27362	96.8
314.27753	1.4
315.80365	0.7
505.38885	85.8
506.39105	1.5
523.39893	1.7
547.39862	6.2
589.40991	1.0
601.40985	2.5
613.41180	2.2
631.41797	2.5
649.43506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72186	1.1
65.03931	1.8
67.05502	5.7
69.03432	8.4
69.07049	3.9
69.86890	3.3
69.87290	3.0
70.06573	2.5
71.04996	1.8
72.78285	0.9
73.02918	1.5
75.22237	1.4
79.05493	3.3
81.03403	8.4
81.07076	2.5
83.04966	3.2
85.02908	7.3
87.00843	1.2
89.03909	1.7
91.05483	7.3
93.07043	3.2
94.06567	7.0
94.07089	1.3
95.04968	4.0
95.08622	1.9
97.02897	4.5
97.06531	1.5
99.04454	2.0
103.05486	1.7
105.07039	2.3
107.04935	2.8
107.08587	2.0
108.08125	5.8
109.02894	5.7
110.06032	1.7
111.04428	1.7
115.05494	1.6
118.06490	1.2
119.04950	3.7
119.08567	1.9
120.04507	1.3
120.08115	2.8
121.10181	1.6
121.35294	1.3
122.06031	16.6
123.04498	1.3
124.05048	1.4
124.07593	1.4
125.06000	1.2
127.03907	4.4
131.04930	2.3
131.57478	1.1
134.06006	4.4
135.04439	1.8
136.07574	10.3
137.05994	7.5
140.07037	2.7
143.05640	29.2
145.02840	4.7
146.06017	4.5
146.09628	2.2
147.04399	5.1
147.06798	1.6
148.07581	9.2
150.09193	1.6
151.03879	2.2
151.07613	1.3
152.07077	3.0
154.08653	2.3
160.07648	1.6
161.05986	2.6
163.03949	2.4
163.07484	1.6
164.07091	4.0
166.08646	4.0
167.07048	13.1
168.07425	1.5
172.07727	1.6
174.05551	3.4
174.09215	1.4
175.03963	4.3
175.07471	1.8
177.05469	9.5
181.04971	2.7
192.06448	1.3
195.09174	1.3
199.05902	1.3
204.06548	3.6
206.08214	2.5
207.06505	9.2
208.09715	2.7
208.44452	1.1
209.08101	1.5
209.10580	1.3
210.08968	1.2
211.08673	1.5
211.12297	2.2
212.13037	1.3
213.10257	2.2
213.91003	1.2
214.08578	1.3
219.10222	1.2
221.10727	2.6
222.11499	2.4
223.08647	6.3
223.12314	3.9
224.09261	1.3
224.13040	2.8
225.10245	18.8
225.13785	5.7
226.08727	1.4
226.10948	4.2
227.11746	7.2
232.09584	1.2
233.10739	1.7
234.09354	1.3
234.11520	1.4
235.08626	7.3
235.12363	2.6
236.09343	6.6
236.12878	1.5
237.10226	15.1
237.13867	6.5
238.11028	11.1
239.11812	22.5
239.15446	2.4
240.12538	5.7
241.13377	3.6
243.11238	1.8
248.09421	4.6
249.10237	16.1
249.13930	2.6
250.10980	19.6
251.08258	6.1
251.11795	58.8
252.08737	1.3
252.12511	9.6
253.09750	5.5
253.13333	15.5
254.10378	1.4
254.14125	4.2
255.11214	1.8
261.10214	1.9
262.11084	2.4
263.11807	30.3
264.08887	3.1
264.12543	7.3
265.09769	13.9
265.13361	58.5
266.10483	8.8
266.14078	5.5
267.11374	8.6
267.14789	7.6
268.12006	3.6
269.09042	1.4
269.12796	1.3
275.11801	4.7
276.12607	1.4
277.09720	8.6
277.13400	5.5
278.10373	8.8
279.11282	39.6
279.14365	2.7
280.08884	1.4
280.12021	8.2
281.12885	14.2
282.13708	2.2
283.10754	7.9
283.14343	1.5
284.11526	2.7
285.12387	4.4
287.05521	3.0
288.06088	1.2
290.10364	1.4
291.11304	10.7
292.12018	4.5
293.09735	1.4
293.12827	30.0
294.13528	4.4
295.10785	7.9
295.14423	12.6
296.11554	5.1
297.12341	14.1
298.13141	4.8
299.13983	6.4
303.11069	1.7
305.13019	1.7
307.10641	3.7
307.14240	2.2
308.11554	1.2
309.12399	14.6
310.12933	5.5
311.10287	2.0
311.13892	41.5
312.14618	4.2
313.15436	7.0
319.10736	7.5
319.14258	2.0
321.12366	15.7
322.13147	1.3
323.13934	4.1
324.14633	1.5
325.11807	1.9
325.15375	2.3
337.11914	7.1
339.13583	10.7
340.14050	1.7
341.14832	3.3
344.13928	3.0
345.14908	2.1
351.13422	5.9
353.11069	1.4
353.14999	14.7
354.15869	1.6
355.16486	3.2
356.13956	1.6
357.14398	2.6
358.15408	2.5
360.17194	2.3
369.14688	9.7
370.15338	2.1
371.16025	21.6
372.17056	3.9
374.18564	1.5
381.14615	2.8
383.15894	3.4
385.13477	1.4
386.18665	3.4
389.14923	1.4
393.14429	1.7
395.15829	2.6
396.17065	1.7
399.15729	1.8
400.16510	2.5
401.16742	1.3
405.14108	1.4
407.16162	1.6
411.15729	5.2
413.17090	8.9
414.17926	8.2
416.19513	3.3
418.18188	1.4
419.16342	3.8
423.15524	2.3
425.17294	2.0
430.17728	1.4
432.19254	4.5
435.15564	4.8
437.17087	6.6
440.15891	3.5
441.16415	3.2
442.17603	6.3
443.17740	2.3
447.15149	2.0
453.16391	6.2
454.17209	1.9
455.18341	13.9
456.18597	1.9
460.18686	4.9
463.14963	3.4
465.16440	7.2
467.18149	2.6
471.17819	2.6
473.19220	3.8
474.20221	8.8
476.21600	1.6
479.17969	2.7
481.16086	9.4
482.16962	3.8
483.17563	15.9
492.21423	8.0
494.22565	1.8
495.17535	2.0
496.18509	1.6
497.19308	7.2
499.17068	1.4
501.18329	2.9
502.20456	1.7
513.18652	17.5
514.19141	4.3
515.12689	1.8
515.20294	37.6
516.21478	1.4
534.22327	12.3
540.21008	2.7
542.22510	2.1
545.16144	1.7
558.22327	4.7
560.23749	2.6
568.20599	7.2
570.22443	2.0
576.23364	4.4
578.24835	1.3
583.24432	1.3
586.21906	17.4
587.22559	2.5
588.23706	6.1
594.24609	2.4
600.23499	42.2
601.24084	10.7
602.24432	3.9
604.22913	15.5
606.23993	2.7
615.28064	2.5
617.23187	2.5
618.24506	45.1
619.25262	30.0
620.26093	10.5
622.23615	2.0
624.25366	2.3
636.25531	100.0
637.26086	7.9
638.26715	3.8
649.25952	3.4
651.27979	10.8
654.26270	4.6
655.27441	2.5
675.29895	4.3
691.27057	1.7
704.28510	1.7
706.29712	1.4
709.28723	11.8
722.28479	1.6
723.30353	26.4
724.30212	2.1
727.29407	3.8
740.30212	45.4
741.31317	41.9
742.31818	2.5
745.30811	5.2
758.30890	3.6
759.32117	6.5
772.32709	23.7
777.33368	10.2
790.32471	1.2
881.36401	1.9
913.26495	2.4
913.44128	1.3
913.64105	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.2
66.76716	0.1
68.99779	0.2
69.03428	1.9
69.07058	0.1
71.01347	0.1
71.04980	0.1
73.02911	0.2
73.04029	0.1
79.05484	0.1
81.03419	1.7
81.07069	0.2
81.73482	0.1
83.02470	0.2
83.04980	0.2
84.04537	0.1
84.05608	0.1
85.02906	1.4
86.03545	0.1
87.00816	0.4
87.04465	0.3
87.06715	3.4
91.05478	2.2
93.07011	0.1
94.04049	0.2
95.04964	0.3
97.02287	0.1
97.02901	1.6
99.04452	0.4
101.03498	0.1
103.03924	0.1
103.05486	0.2
105.01868	0.1
105.07031	0.1
107.04912	0.2
107.08544	0.1
109.02119	0.1
109.02869	2.1
111.04433	0.3
111.06680	0.9
113.04615	0.6
114.03024	0.2
115.03925	0.3
116.04551	0.2
119.04962	0.2
119.08588	0.1
121.06463	0.1
122.06013	0.1
123.04404	0.2
125.02354	0.2
125.03476	0.3
125.04581	0.2
126.03014	0.4
127.03919	2.2
129.01828	0.2
129.05423	0.1
133.05019	0.1
133.10156	0.1
136.07578	0.1
137.05972	0.2
140.07043	0.1
141.01855	0.2
141.04070	2.4
142.04878	0.9
143.05641	100.0
144.05960	0.4
145.02858	0.2
145.04967	0.3
147.04413	0.2
147.11702	0.1
151.03937	0.1
153.04117	0.1
155.05626	0.9
159.02873	0.1
161.06041	0.1
167.05643	1.9
167.07059	1.0
168.07410	0.1
175.03928	0.3
177.05460	0.6
181.04968	0.1
181.07185	0.1
183.05203	0.1
185.06706	3.8
193.07127	0.1
193.08727	0.1
195.02843	0.2
197.06641	0.1
204.06381	0.1
205.07016	0.1
207.06549	0.5
208.09744	0.1
209.06686	0.7
213.03929	0.3
217.05014	0.2
217.08836	0.1
221.06578	0.1
223.12279	0.1
227.11813	0.2
231.05022	0.3
233.06635	0.3
233.10350	0.6
239.07780	0.2
243.11385	0.2
251.07851	0.4
251.11745	0.2
263.11807	0.1
265.09869	0.1
269.08896	0.3
275.09824	0.6
279.11453	0.2
285.12344	0.3
287.09857	0.2
305.10910	1.5
317.11008	0.2
337.07611	0.2
339.07190	0.2
339.13452	0.1
355.08826	0.2
357.08066	0.2
373.09924	1.7
391.11044	0.2
433.11975	0.9
463.10938	0.3
481.11688	0.5
499.13074	5.6
500.13217	0.1
517.14148	4.8
518.14038	0.2
535.15186	11.9
536.15442	0.3
613.16437	0.4
630.51880	0.1
631.17523	0.6
649.22406	0.9
667.08264	0.1
667.19385	2.5
703.30426	0.1
743.28821	0.2
756.26819	0.2
779.22522	1.3
799.45856	0.1
879.36298	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	911.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	0.2
67.80930	0.1
68.99786	0.3
69.03082	0.1
69.03431	1.7
69.95163	0.3
71.04985	0.1
72.72630	0.0
73.02925	0.1
73.04017	0.1
81.03419	1.6
83.02464	0.2
83.04956	0.2
84.05628	0.1
85.02908	1.6
86.03551	0.1
87.00829	0.4
87.04474	0.4
87.06715	3.2
91.05480	3.7
94.04050	0.2
95.04955	0.2
97.02891	1.8
98.03494	0.1
98.20731	0.1
99.04440	0.4
103.03901	0.1
105.01857	0.1
107.04942	0.1
107.08612	0.1
109.02880	1.9
111.04450	0.3
111.06690	0.9
113.04597	0.5
114.03002	0.2
115.03965	0.3
115.06192	0.1
116.04574	0.2
119.05000	0.1
123.04470	0.1
125.02338	0.2
125.03459	0.3
125.04572	0.1
126.03001	0.3
127.03923	2.1
129.01831	0.2
129.05490	0.1
131.04958	0.1
133.05069	0.1
133.06503	0.1
135.04398	0.1
135.05449	0.1
137.02313	0.4
137.05980	0.2
139.03947	0.1
141.01845	0.2
141.04076	2.2
142.04874	1.1
143.05640	100.0
144.06113	0.3
145.05003	0.3
147.04381	0.1
151.03918	0.2
153.03993	0.1
155.05649	0.7
159.02910	0.1
163.03912	0.1
167.05658	2.0
167.07053	0.2
169.03543	0.1
169.04918	0.1
175.03871	0.1
177.05428	0.1
177.07742	0.1
181.07190	0.1
183.05145	0.2
185.06700	3.4
189.05434	0.1
191.05701	0.1
191.07127	0.1
193.07202	0.1
194.05702	0.1
195.02826	0.1
199.58839	0.1
205.04869	0.1
205.07112	0.1
207.06644	0.1
209.06703	0.6
213.03915	0.3
217.04979	0.1
221.06696	0.2
222.05151	0.1
223.08293	0.1
227.07681	0.1
231.04987	0.2
233.06732	0.5
233.10316	1.3
235.06100	0.1
239.07840	0.2
245.04579	0.1
251.07780	0.4
255.05061	0.1
269.08844	0.3
275.09808	0.4
287.09912	0.1
305.10922	1.3
317.10895	0.1
321.06006	0.1
337.07858	0.2
339.07120	0.2
353.07028	0.1
355.08902	0.2
357.08249	0.3
373.09891	1.5
375.09244	0.1
391.10922	0.3
397.09790	0.1
415.10889	0.1
433.12018	0.6
463.10782	0.3
481.12143	0.5
493.14075	0.1
499.13062	4.9
517.14154	3.4
535.15204	9.7
536.15576	0.1
577.15991	0.1
607.18195	0.1
613.16125	0.3
625.19421	0.2
631.17560	0.4
649.18134	0.2
667.19470	2.2
671.16443	0.1
779.22412	0.9
911.26581	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	909.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	2.9
69.03428	4.1
71.01348	0.6
71.04994	0.7
71.59975	0.3
73.02924	3.2
79.05498	2.7
81.03419	2.7
81.07052	3.8
83.04971	0.4
83.08618	0.5
83.32595	0.3
85.02911	6.3
87.04481	0.7
91.03954	3.0
91.05501	2.0
93.07053	2.4
95.04984	1.1
95.08609	2.1
97.02895	5.7
99.04468	0.9
101.02413	1.5
105.07066	1.3
107.08630	1.0
109.02894	0.6
109.10198	1.0
117.07061	0.6
119.05009	0.4
119.08627	0.7
121.10199	0.9
127.03926	1.8
129.07062	0.4
131.08603	0.7
133.10172	0.9
135.11740	0.6
145.10275	0.5
147.11746	0.6
171.03398	0.4
173.45668	0.4
185.04315	0.8
193.12344	0.5
194.12981	0.5
199.33691	0.4
203.05336	0.5
230.15454	0.8
243.08572	1.5
251.12708	0.5
269.12469	0.7
335.26099	0.7
347.09256	2.1
365.10690	0.8
405.13806	3.7
469.20615	3.3
519.29468	4.0
529.05756	0.4
529.27911	0.4
585.60223	0.5
631.25714	2.4
681.34399	6.3
721.37317	0.5
747.44543	1.8
863.87299	0.5
909.48206	100.0
910.48309	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	6.0
69.03424	4.2
69.07082	1.1
71.01383	0.4
71.04990	0.6
71.38453	0.4
71.60195	0.4
73.02917	4.5
79.05491	4.2
80.79540	0.5
81.03408	2.0
81.07047	6.5
82.07384	0.4
83.04962	0.6
83.08630	1.1
85.02901	6.5
85.06522	0.4
87.04481	0.5
91.03947	3.3
91.05472	3.2
93.07039	5.6
94.07390	0.5
95.04983	0.9
95.08602	4.1
97.02889	5.5
97.06559	0.6
99.04501	0.6
100.47544	0.4
101.02406	1.7
105.07072	1.7
106.07398	0.4
106.34177	0.4
107.04957	0.6
107.08595	3.1
109.02913	0.7
109.10144	2.0
111.04405	0.4
117.07076	1.1
119.08617	1.3
121.10128	1.9
123.11766	0.9
127.03908	2.0
131.08569	0.9
133.10155	1.4
135.11687	2.2
145.05005	0.6
145.10156	1.1
147.11720	0.6
149.13356	0.9
159.11671	0.7
163.11221	1.3
185.04211	0.8
190.45665	0.4
203.05328	0.6
227.12874	1.6
243.08569	1.7
243.16106	0.7
249.11015	6.4
249.13358	0.6
261.22079	0.5
262.22891	0.4
269.17493	0.5
287.18665	0.9
305.13693	1.5
335.25775	2.5
336.26233	1.3
338.35910	0.5
347.09384	2.0
363.08844	0.7
391.81345	0.4
405.13638	5.9
462.72574	0.5
467.18881	5.4
503.37476	2.3
504.37534	2.3
519.29285	6.8
529.38855	0.7
530.39331	0.5
547.39771	1.1
548.40173	1.5
551.64984	0.4
583.36591	0.7
629.24341	2.6
681.34576	8.3
745.41473	1.7
907.46570	100.0
908.46735	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	905.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.0
69.03423	3.2
69.07063	0.8
70.12857	1.5
71.04991	0.4
73.02917	3.7
77.92451	0.3
79.05490	3.1
80.18072	0.3
81.03425	2.0
81.07056	3.3
85.02905	5.6
87.04458	0.4
91.03955	3.2
91.05486	2.3
93.07040	2.7
95.04972	1.1
95.08602	2.3
97.02889	5.4
97.10146	0.4
99.04475	1.0
101.02361	1.4
103.03909	0.3
105.07040	1.4
107.08588	1.4
109.02862	0.7
109.10181	0.9
110.87941	0.3
115.03957	0.5
119.08609	0.7
121.10141	0.9
123.11652	0.4
127.03936	1.8
131.08601	0.4
133.10190	0.5
135.11713	0.5
136.30389	0.3
145.04984	0.4
147.11736	1.0
161.13251	0.4
171.11737	0.5
185.04245	0.7
203.05289	0.7
243.08391	1.4
247.13202	1.5
335.26013	1.1
347.09290	1.9
363.09219	0.6
365.10739	1.0
405.13690	4.7
419.18423	0.3
465.20999	4.3
519.29309	5.8
627.26270	3.1
681.34485	6.4
743.43365	1.3
905.48669	100.0
906.49115	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	907.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	5.4
69.03430	3.4
69.03747	0.6
69.07059	1.8
70.45940	0.5
71.01350	0.5
71.04993	1.3
73.02919	3.3
76.93564	0.5
79.05491	4.5
81.03414	2.4
81.07053	7.2
82.07382	0.7
83.04945	0.6
83.08606	1.3
85.02903	5.3
91.03951	2.9
91.05497	2.3
93.07040	5.1
95.04980	1.0
95.08600	3.8
97.02895	6.3
97.06499	0.6
99.04464	0.6
101.02402	1.4
105.07063	1.7
107.08598	2.6
109.02885	0.9
109.10162	2.1
115.03930	0.7
119.08567	0.8
121.10161	1.6
123.05750	0.5
127.03928	1.3
131.08588	0.9
133.10168	1.5
135.11729	1.9
145.10129	1.1
147.11732	0.7
149.13309	1.0
158.99309	0.6
159.11699	0.5
163.11215	1.6
185.04295	0.9
193.12398	0.5
211.13359	0.7
227.12740	1.2
243.08507	2.0
243.16106	1.0
249.10999	7.8
269.17566	1.0
287.18457	0.9
305.13666	0.9
335.25873	3.0
335.99454	0.5
336.26248	2.0
347.09540	1.5
405.13675	4.8
467.18857	5.1
503.37320	1.3
504.37863	1.9
519.29297	6.9
529.38989	0.7
530.39355	0.8
545.38403	0.8
546.39154	1.5
547.39417	2.6
548.39850	2.0
629.24255	3.3
681.34607	7.3
691.32709	0.6
745.41974	1.6
745.54193	0.6
907.46527	100.0
908.46906	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	3.1
69.03428	3.2
69.07057	0.6
69.36813	2.3
69.37229	0.9
71.01373	0.7
71.04971	0.4
73.02921	3.3
79.05490	3.0
81.03419	1.7
81.07057	3.4
83.85854	0.3
85.02905	5.3
86.37124	0.3
87.04502	0.4
88.25365	0.3
91.03942	3.5
91.04457	0.3
91.05474	2.6
93.07038	3.4
95.04986	1.1
95.08602	1.8
97.02889	5.4
99.04475	0.9
101.02367	1.7
105.07021	2.1
107.08630	1.1
109.02917	1.1
109.10169	0.6
117.07045	0.4
119.08617	0.9
121.10151	0.7
121.82124	0.3
123.09169	0.3
127.03970	1.4
129.07028	0.5
133.10143	0.5
135.11700	0.7
135.57787	0.3
145.05086	0.4
145.10153	0.6
145.12447	0.4
147.11739	1.3
161.13297	0.5
171.11780	0.6
185.04292	0.8
203.05367	0.9
207.13911	0.5
235.12204	0.3
243.08411	2.0
247.13005	0.7
250.99252	0.4
303.15927	0.5
335.25876	0.4
347.09555	2.3
356.00757	0.3
363.09174	0.5
365.10718	1.1
405.13693	5.8
447.36148	0.3
465.20975	8.1
519.29370	3.1
615.16583	0.4
627.26318	7.4
681.34406	3.2
743.43060	1.6
846.76440	0.4
905.48657	100.0
906.49237	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	904.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.7
67.05505	48.5
67.86694	0.9
69.03411	2.9
69.06719	1.3
69.07069	14.6
69.96784	1.8
69.97179	2.5
71.04982	2.5
73.02905	3.1
73.06578	0.9
79.05492	27.9
81.03399	1.8
81.07057	73.6
83.04990	5.2
83.08613	7.5
85.02905	9.2
85.06528	3.1
87.04458	1.1
91.03970	6.9
91.05478	25.0
93.07043	31.8
94.67757	1.0
95.04967	5.4
95.08607	33.4
97.02898	6.6
97.06526	5.9
97.10154	3.1
98.20792	1.2
99.04432	1.1
99.08085	1.8
105.07027	28.0
107.08592	18.2
109.02869	1.4
109.06557	4.4
109.07156	0.9
109.10150	14.0
111.08068	1.6
117.07003	3.7
119.08582	21.8
121.10155	22.9
123.08049	3.2
123.10836	1.0
123.11709	18.2
127.03909	3.3
127.07573	1.9
127.89287	0.8
129.06956	1.8
131.08554	7.2
133.10130	7.8
135.11708	8.9
136.06187	1.1
137.09578	1.6
137.13231	1.9
145.04951	2.4
145.10104	5.3
147.11690	46.9
149.09642	1.5
149.13237	4.6
157.10048	2.2
159.11642	2.9
161.13237	3.1
163.06021	3.3
163.14822	2.1
165.12752	14.6
173.13246	3.7
175.11171	2.5
175.14818	1.0
183.13812	2.2
187.14810	1.5
193.12228	1.5
194.57706	0.8
229.14311	4.6
243.21101	3.8
261.22147	13.1
267.15921	50.7
273.14923	0.9
279.23099	2.5
285.16971	62.5
317.24747	3.3
335.25803	100.0
336.26147	1.5
353.27200	1.4
446.50858	0.8
453.33362	1.0
527.37628	5.8
545.38373	69.3
546.38953	1.6
563.39215	3.0
882.22589	1.2
904.47327	2.3
905.46802	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
67.05502	42.8
69.03427	5.3
69.07069	10.5
71.01345	0.9
71.04993	4.6
73.02905	2.7
77.03920	0.8
79.05489	35.2
81.03416	48.9
81.07053	47.0
81.81910	0.6
83.04978	12.3
83.08232	0.5
83.08614	21.2
85.02901	29.4
85.06532	1.8
91.03958	7.8
91.04478	0.8
91.04887	0.9
91.05476	31.6
93.07040	34.6
95.04966	22.1
95.08603	30.3
95.09083	0.6
95.09228	1.0
96.04468	0.7
97.02892	9.9
97.06519	5.1
97.10168	4.1
99.04463	0.8
99.08071	1.5
103.03862	0.7
105.04540	1.2
105.07024	23.4
107.04951	5.0
107.08591	18.6
109.06515	4.8
109.10149	12.5
111.04448	1.9
111.08075	9.7
113.05980	1.8
115.03954	1.2
115.05434	0.9
117.07014	4.5
119.08576	19.7
121.06564	0.9
121.10135	15.3
123.08078	3.6
123.11695	4.0
125.09639	2.0
127.03907	2.0
129.06995	7.9
131.08557	14.3
133.06483	2.3
133.10130	14.1
135.08119	0.6
135.11693	9.7
137.09595	2.1
137.13301	1.3
141.07030	0.6
142.07765	1.8
143.08565	1.1
144.06447	0.7
145.04945	3.5
145.10112	6.0
147.08067	2.5
147.11676	14.2
147.12775	1.1
149.09612	4.9
149.13263	4.1
157.10129	13.1
158.10918	0.8
159.11671	3.4
161.13268	2.5
163.06013	3.3
163.11191	1.1
163.14796	1.9
165.12755	2.3
173.13194	3.0
175.11180	11.1
175.14830	1.9
185.13237	0.8
187.14818	1.8
189.11217	0.9
193.12234	38.4
205.32916	0.7
211.13283	58.0
215.17952	0.6
221.48927	0.6
227.12733	0.8
229.14305	0.8
235.09911	0.6
243.21088	2.7
261.22156	8.4
267.15903	13.9
267.18594	1.1
274.02350	0.6
285.16956	68.7
301.25232	0.9
317.24982	3.0
335.25781	64.4
336.26465	0.7
356.97211	0.6
392.43256	0.6
417.31522	1.2
435.32651	2.6
450.21494	0.7
453.33597	2.6
471.34756	1.8
527.31476	0.4
527.37299	15.0
545.38342	100.0
546.38971	1.5
563.39423	0.7
610.62878	0.6
689.42511	0.9
724.44055	0.7
743.20746	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	1.6
67.05504	40.6
69.03429	4.0
69.07069	10.0
69.07421	0.4
69.98347	2.1
70.46495	0.4
71.01332	0.6
71.04998	3.5
73.02918	3.1
73.06507	0.4
77.03848	0.5
79.05492	32.7
81.03416	35.8
81.07055	43.1
83.04982	8.7
83.08617	15.5
85.02902	23.9
85.06525	1.7
91.03962	5.8
91.05476	27.6
92.05769	0.4
93.07040	31.8
95.04967	17.5
95.08603	27.4
96.04426	0.4
97.02894	6.7
97.06525	3.6
97.10171	3.3
99.04453	0.8
99.08055	1.2
101.05999	0.4
103.40688	0.4
105.04512	0.8
105.07027	19.9
107.04951	3.8
107.08592	16.8
109.02856	0.5
109.05912	0.3
109.06518	4.2
109.10154	10.4
111.04386	1.2
111.08082	5.7
113.05968	1.5
115.05418	0.9
116.06210	0.4
117.07012	4.6
119.08576	16.8
121.06473	0.7
121.10139	15.5
123.08085	2.1
123.11710	3.6
125.05916	0.5
125.09591	1.6
127.03912	2.1
127.07534	0.4
129.07004	7.2
131.08566	12.3
133.06412	1.1
133.10124	12.1
135.08046	0.9
135.11684	6.9
137.09630	1.8
137.13239	0.8
142.07724	1.7
143.08505	1.3
145.04968	2.7
145.10117	5.6
147.08040	2.0
147.11691	11.1
149.09615	3.7
149.13239	3.7
151.11127	0.5
155.08484	0.7
157.10132	8.0
159.11679	3.4
161.13298	2.3
163.06004	2.1
163.11108	1.2
163.14780	1.4
165.12778	2.1
169.10117	0.5
171.11732	0.4
173.13237	2.6
175.09753	0.7
175.11183	8.9
175.14778	1.1
177.16287	0.6
182.16832	0.4
183.11684	0.5
185.13239	0.4
187.14771	1.1
189.11136	0.6
193.12242	24.9
211.13281	34.9
227.12685	1.3
229.14282	1.0
237.10893	0.5
243.21133	2.3
249.14792	0.5
261.22168	9.6
265.64404	0.4
267.15906	10.0
269.17389	0.8
279.23184	0.5
283.15289	0.6
285.16956	42.2
286.17462	0.5
291.19556	0.4
299.23572	0.5
301.25293	0.9
317.24759	2.1
335.25790	66.6
336.26233	0.8
357.27332	0.4
399.29587	0.4
435.32681	1.8
453.33765	2.1
454.22076	0.5
471.34634	0.9
509.35822	0.6
527.37317	12.8
529.91382	0.4
545.38361	100.0
546.39063	2.1
563.39966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	1.8
67.05503	32.2
69.03387	1.8
69.07067	8.7
69.84641	3.5
71.04939	1.8
73.02874	1.6
78.82310	0.5
79.05492	32.6
81.03369	1.7
81.07057	35.8
83.04988	3.5
83.08617	9.3
85.02911	3.9
85.06506	1.5
91.03905	1.8
91.05478	13.7
93.07043	42.6
95.02418	0.5
95.04465	0.7
95.04973	8.3
95.08605	47.8
97.02904	4.9
97.06535	3.8
97.10108	0.9
98.21412	0.7
99.04457	3.6
103.05435	1.1
103.91512	0.5
105.06400	0.9
105.07030	12.0
107.04314	0.6
107.04958	7.7
107.08591	31.5
109.06488	1.8
109.10156	9.8
111.04462	1.2
111.08025	2.0
111.23997	0.5
113.06000	0.7
117.07012	9.2
119.07799	0.8
119.08578	13.4
121.06496	5.7
121.10140	17.9
123.08029	1.2
123.11688	3.0
124.67558	0.7
125.05933	2.3
125.09594	0.7
127.03854	1.0
129.06967	0.6
130.07745	1.6
131.08559	3.7
133.10139	6.3
135.08034	1.7
135.11693	47.1
136.06119	1.6
136.11995	0.7
139.07510	1.4
139.11131	1.1
143.08527	0.8
145.04976	0.8
145.10120	26.5
147.11705	3.4
149.13269	3.7
153.12737	0.7
159.11636	2.1
161.13185	2.4
163.06021	0.9
163.11177	54.1
163.14795	1.6
164.11624	0.6
173.13229	2.2
175.14742	0.7
181.12225	10.4
200.46030	0.6
209.11662	0.6
209.13393	0.6
227.12782	67.1
228.13005	1.2
243.21095	1.2
261.22174	9.3
275.20160	0.6
283.15399	98.3
284.15851	1.2
317.24759	2.4
335.25793	86.7
336.26218	2.9
337.26456	1.0
444.19205	0.6
445.20303	0.7
469.32895	0.7
543.36823	100.0
544.37262	3.1
687.40955	0.9
704.40826	0.7
705.41132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
64.63991	0.3
65.03938	1.7
67.05505	33.3
69.03419	1.4
69.07068	10.4
69.98078	0.9
69.98470	0.6
70.06586	0.4
71.04999	1.7
72.99281	0.4
73.02908	1.4
77.03912	0.4
79.05493	30.8
81.03406	1.8
81.07058	35.6
82.07384	0.4
83.04974	2.9
83.08617	8.0
83.49718	0.3
85.02904	3.5
85.06538	1.1
91.03963	1.8
91.05479	14.2
93.07043	40.0
94.07357	0.3
95.04971	6.4
95.08605	42.3
96.08911	0.4
97.02887	4.6
97.06534	3.4
97.10164	2.0
98.21490	0.4
99.04453	2.8
99.08077	0.5
103.05418	0.5
105.04507	0.6
105.06508	0.3
105.07024	9.7
107.04962	5.8
107.08594	28.2
109.06506	2.0
109.10158	9.6
111.04449	1.4
111.08076	1.2
111.14760	0.3
113.06043	0.6
115.05505	0.4
117.07016	7.0
119.08578	10.7
121.06509	3.9
121.10142	16.5
123.08080	0.7
123.11712	2.4
124.25383	0.3
124.90276	0.4
125.05975	1.9
127.03915	0.4
129.06979	0.7
130.07785	1.1
131.08569	4.3
133.10127	5.6
135.08093	1.7
135.11691	38.3
136.12070	0.3
137.09625	0.6
137.13240	0.7
139.07471	1.5
139.11235	0.4
143.08556	0.6
145.04919	0.8
145.10121	21.9
145.43968	0.3
146.10469	0.4
147.11690	2.4
149.13235	2.6
153.12772	0.8
155.08545	0.5
159.11705	2.1
161.13289	1.7
163.05971	0.5
163.11183	38.8
163.14807	1.3
165.12773	0.3
171.10381	0.3
173.09636	1.0
173.13274	2.0
175.14854	0.5
177.16365	0.5
181.12231	6.3
187.14822	1.0
201.16382	0.4
209.11740	1.1
227.12779	48.2
228.13109	0.5
233.22585	0.4
243.21075	2.3
261.22147	7.2
283.15399	53.3
284.15753	0.6
317.24857	2.0
335.25793	100.0
335.81812	0.3
336.26138	1.5
469.32791	0.5
543.36823	94.7
544.37097	2.1
561.37787	0.6
705.40973	0.5
718.78662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	2.1
65.34026	0.5
67.05508	39.1
69.03445	1.4
69.07074	10.2
71.04994	1.1
71.34067	1.1
73.02917	1.2
77.03908	0.8
79.05498	45.8
81.03424	4.8
81.07063	37.2
81.07442	0.5
83.04979	6.1
83.08636	4.9
85.02899	3.8
85.06540	1.9
87.04453	0.6
91.03965	1.9
91.05485	33.2
93.07050	47.5
95.04974	11.9
95.08611	26.5
95.09243	0.7
97.02891	2.1
97.06549	3.1
97.10175	1.8
99.08088	0.7
103.05450	0.7
105.04518	0.5
105.07038	22.7
107.04947	2.8
107.08599	16.4
109.06522	3.4
109.10159	9.0
111.08068	1.5
113.24648	0.6
115.05443	0.8
116.97358	0.6
117.07030	6.5
119.08590	15.9
121.06518	1.3
121.10155	10.6
123.08066	2.5
123.11716	2.0
125.09632	0.9
127.07545	0.6
128.06239	1.2
129.07018	7.5
131.08577	5.4
133.10136	9.5
135.11700	5.8
137.09540	0.6
137.13177	0.8
143.08574	5.1
145.04921	1.2
145.10126	7.6
147.08067	1.3
147.11699	19.7
149.13289	2.4
159.11717	2.7
161.09633	1.2
161.13245	5.8
163.11206	1.0
163.14893	1.6
171.11687	9.7
173.13338	1.6
175.14871	1.1
183.11752	0.7
187.14796	1.1
189.12738	4.1
207.13792	9.3
243.21272	1.1
258.68921	0.6
259.20605	0.7
261.22159	4.1
264.52280	0.5
272.20132	2.5
279.15930	1.7
281.15225	0.4
281.17490	34.7
317.24786	1.8
335.25818	35.8
339.59396	0.7
351.30609	0.7
386.26895	5.9
404.27896	1.5
478.31876	1.4
541.38922	100.0
542.39246	3.5
559.40088	1.7
612.32227	0.6
663.46991	0.6
738.53247	3.1
900.58429	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	1.9
67.05505	34.0
69.03391	1.3
69.07066	7.5
69.38887	3.4
69.39306	0.9
71.04956	1.5
73.02904	0.9
73.06534	0.8
77.03909	0.6
79.05492	41.1
81.03428	2.8
81.07057	32.5
83.04980	5.9
83.08617	4.2
85.02900	2.6
85.06497	1.6
87.04448	0.4
91.03915	2.0
91.05482	28.9
93.07043	43.9
95.04967	10.8
95.08604	22.4
97.02895	2.3
97.06502	2.3
97.10141	1.8
99.08048	0.7
99.85072	0.4
103.05429	0.5
105.04485	0.9
105.07032	21.2
107.04951	3.5
107.08593	13.7
109.06513	3.2
109.10163	7.5
110.30913	0.5
111.08025	1.1
114.20654	0.4
117.07015	4.5
119.08574	12.6
121.06441	1.6
121.10152	8.2
123.08054	2.7
123.11681	1.9
125.09534	0.4
127.07548	0.4
128.06177	0.9
129.07014	7.7
131.08563	4.6
133.10141	7.6
135.08047	0.7
135.11707	4.3
137.13278	0.6
141.09111	0.5
141.77252	0.4
143.08586	4.4
145.04889	0.6
145.10126	5.9
147.08018	1.7
147.11694	20.1
149.13208	1.4
159.11650	2.0
161.09613	1.0
161.13272	5.6
169.10147	0.7
171.11682	12.1
173.13239	2.1
173.51495	0.5
179.14377	0.5
187.14763	0.7
189.12698	5.1
201.16454	0.5
207.13805	17.6
225.14799	0.9
243.21039	1.4
261.22144	4.3
263.23834	0.5
272.19977	0.7
279.15857	3.0
281.17474	61.8
282.18008	1.0
317.24765	1.8
333.24377	0.7
335.25800	38.1
336.26093	1.2
386.26880	2.2
404.27963	1.0
449.34128	0.9
467.35062	0.6
523.38507	1.1
541.38898	100.0
542.39362	3.2
559.39880	3.1
738.52307	1.2
900.57501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.4
67.05502	5.0
68.13759	0.9
69.03433	7.1
69.07050	2.1
69.91495	1.2
70.06583	1.4
71.04980	1.6
71.61314	1.6
73.02908	1.1
75.84506	1.0
79.05489	2.6
81.03403	8.7
81.07043	2.0
85.02901	6.8
87.04462	1.4
87.06729	1.4
91.05471	4.6
93.07043	2.6
94.06566	5.3
95.04945	3.6
95.08585	2.0
97.02868	4.6
99.04417	1.6
102.90395	1.1
105.07024	3.3
106.06579	1.2
108.08111	7.2
109.02888	5.3
109.06532	2.0
111.08076	1.2
115.03967	0.9
117.03349	3.3
119.04943	3.4
120.04511	2.1
120.08106	4.1
121.02827	1.1
121.06454	1.6
121.10154	1.2
122.06020	15.7
123.04465	1.4
124.07578	1.3
127.03898	6.8
129.06984	1.9
131.08591	1.2
134.05974	3.1
136.07596	8.6
137.05942	4.6
138.06583	1.0
140.07063	3.1
143.05643	51.6
144.06049	2.1
145.02853	12.4
145.10150	1.0
146.06001	4.2
147.04399	3.3
148.07535	6.1
149.05971	2.9
150.09096	2.3
151.03871	1.3
152.07120	3.3
154.04927	1.0
160.07590	2.3
161.09639	1.6
162.05466	1.2
162.09105	4.1
163.03923	2.0
163.07567	2.5
164.07016	2.8
166.08620	2.2
167.07060	10.3
168.07239	1.4
169.07675	1.3
172.07574	1.3
173.05902	1.1
174.05521	3.8
174.09113	1.1
175.03888	3.9
176.07050	1.5
177.04037	2.3
177.05473	27.7
179.07072	2.5
180.10211	2.2
185.08141	1.2
188.97478	1.0
190.04956	2.0
190.08569	1.1
191.07106	1.3
193.08725	1.5
195.06500	1.5
199.12129	1.1
202.92575	1.2
204.06560	1.6
206.08122	2.1
207.06528	7.3
208.09711	3.0
209.08185	2.0
209.10719	1.3
210.09322	1.2
210.11356	1.8
211.12347	2.3
213.10207	1.6
221.10609	1.3
222.11336	1.4
223.08646	6.3
223.12337	4.6
224.09294	1.1
224.13060	2.4
225.10216	19.1
225.13843	2.5
226.08762	1.1
226.10995	2.9
227.08112	2.1
227.11642	5.2
229.13263	1.6
232.09612	2.3
232.96954	1.1
235.08646	6.3
235.12170	1.9
236.09386	6.3
236.13121	1.2
237.10277	13.5
237.13803	6.7
238.10954	10.7
239.11758	18.2
239.15384	1.7
240.12524	6.1
241.09732	1.4
241.13324	3.4
247.12404	2.5
248.09451	4.7
248.13028	1.4
249.10257	15.2
249.13741	1.9
250.11018	16.7
251.08022	5.2
251.11792	51.3
252.12566	9.5
253.09692	4.9
253.13391	16.2
254.14117	3.1
255.11246	1.8
261.10043	1.4
262.08569	1.7
262.10999	2.6
263.11792	34.6
264.09027	2.1
264.12500	9.5
265.09732	12.6
265.13342	57.6
266.10709	5.6
266.13910	5.6
267.11194	6.5
267.14819	5.3
268.12070	2.5
269.12738	2.6
271.10623	1.8
275.11807	2.4
276.12686	2.3
277.09665	7.0
277.13351	3.7
278.10440	9.9
279.11298	33.1
279.14420	1.4
280.12048	7.3
281.12848	9.5
282.13522	1.7
283.10767	7.7
283.14249	2.1
284.11520	2.3
285.12439	3.3
287.05515	7.2
289.13251	1.8
290.10187	1.2
291.11353	10.3
292.12051	5.0
293.09482	1.5
293.12790	26.3
294.13519	3.3
295.10687	6.1
295.14395	13.3
296.11615	4.7
297.12271	11.6
298.13101	4.2
299.13925	8.8
303.11264	2.2
303.14462	1.1
307.10675	3.5
307.14145	1.4
309.12305	13.9
310.12930	3.1
311.10400	1.3
311.13876	35.1
312.14587	2.3
313.12231	1.4
313.15564	5.8
319.10825	7.2
321.09103	1.6
321.12375	13.5
323.10229	2.1
323.13843	5.4
325.11682	2.2
328.14212	1.7
335.13696	1.8
337.11777	6.2
337.15469	1.7
338.12643	3.2
339.10315	4.1
339.13980	9.3
341.14996	3.2
344.14066	3.9
349.15472	1.6
351.13330	5.3
352.14136	1.7
353.14990	15.6
355.16522	3.7
357.14651	2.3
358.15445	2.8
359.16229	1.3
369.14706	8.9
370.15210	3.3
371.16098	21.2
372.16830	3.6
381.14438	3.7
386.18707	2.9
393.14160	1.4
395.15881	2.1
400.16522	2.4
407.16089	1.8
411.15570	3.1
412.16122	1.9
413.17072	7.3
414.18375	5.5
416.19571	3.9
419.15799	2.8
421.17734	1.7
423.15488	2.6
424.16629	1.3
432.19467	5.0
435.15421	4.6
437.17172	6.3
440.15854	3.3
441.16461	2.4
442.17645	6.9
443.18051	1.2
445.13968	1.6
447.15585	2.0
453.16620	6.9
454.17593	1.6
455.18195	13.5
460.18524	4.3
463.14810	3.1
465.16446	6.9
471.17502	2.4
473.19183	4.0
474.20346	9.7
475.20535	1.4
478.17593	1.6
479.18250	2.6
481.15933	9.2
482.16736	3.6
483.17557	12.7
484.18973	1.6
485.19327	1.3
492.21222	7.0
492.62207	1.4
494.22556	2.1
495.17386	2.6
497.19235	7.4
499.17447	1.2
501.18652	2.0
512.21497	1.9
513.18701	18.5
514.18958	2.7
515.20294	29.8
516.20862	3.5
531.19720	1.3
534.22339	14.7
536.23035	1.3
540.21149	3.4
542.22943	2.7
558.22101	3.1
568.21014	6.2
569.21014	1.9
570.22675	1.5
576.23425	4.9
586.21930	18.1
587.21851	2.6
588.23572	6.3
594.24146	1.6
600.13898	1.8
600.23401	34.9
601.24158	9.8
602.24823	2.9
603.22131	1.9
604.22864	16.0
605.23291	3.5
606.24048	1.9
615.27649	2.3
618.24463	40.8
619.15155	1.2
619.25165	21.5
620.26221	8.9
622.23682	1.9
624.25232	2.3
635.24628	5.7
636.25494	100.0
637.26019	21.7
638.26996	2.6
643.27039	1.5
654.26471	2.3
655.27374	3.2
656.27325	1.5
675.30103	3.2
681.29541	1.7
690.25800	1.6
691.27600	2.5
708.27094	2.0
709.28583	12.2
723.30139	26.5
726.28644	40.8
727.29230	7.4
741.31293	35.4
742.31061	3.0
744.28967	1.8
745.30701	3.5
758.18298	1.7
758.31293	27.0
759.31964	6.7
777.33630	7.2
867.36700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	5.2
69.03434	9.2
69.07063	3.3
69.36409	14.8
70.06575	2.8
73.02911	2.9
79.05498	2.9
81.03430	9.9
81.07040	2.6
83.04967	2.0
85.02900	7.5
87.04430	1.4
87.06701	2.3
89.03896	2.1
91.05477	6.2
92.05716	1.4
93.07050	4.2
94.06571	4.7
95.04984	3.7
95.08624	2.7
97.02888	5.9
99.04468	1.5
103.05430	2.1
103.30011	1.5
105.07037	3.7
106.98324	1.6
107.08549	1.8
108.08131	7.7
109.02880	6.1
109.06554	2.1
109.10167	2.0
115.75066	1.5
117.03409	2.4
117.07052	2.1
119.04957	3.9
119.08606	2.0
120.08080	2.9
121.06510	2.9
122.06048	17.1
123.04475	2.6
124.07645	1.8
127.03915	8.0
131.16005	1.6
134.05975	3.8
136.07584	9.4
137.05956	4.8
140.07030	1.8
143.05649	77.1
144.06000	4.1
144.08156	1.7
145.02843	17.4
146.06046	3.9
146.09578	1.9
147.04431	4.3
147.08009	1.7
147.11740	2.4
148.07567	5.4
149.06030	2.4
150.09122	2.9
152.07071	2.9
154.08589	1.5
160.07558	2.2
161.05942	1.6
162.09158	3.7
163.03874	2.2
163.07590	1.8
166.08641	3.7
167.07047	15.5
168.07486	2.6
174.05482	4.3
174.09171	2.8
175.03871	4.7
177.05482	36.6
180.10187	4.4
186.09146	1.7
200.07014	2.0
204.06596	3.5
206.08174	2.3
207.06560	12.0
208.09766	6.0
209.10806	2.0
211.12376	1.7
213.10251	2.9
222.11511	3.2
223.08807	7.6
223.12305	7.2
225.10204	17.9
225.13812	3.5
226.08707	1.9
226.10936	2.8
227.08159	2.2
227.11848	6.8
229.09711	2.2
235.08650	5.6
235.12355	3.5
236.09448	4.8
237.10178	14.8
237.13847	4.0
238.10938	8.8
239.11792	17.8
240.12538	5.9
241.09685	3.4
241.13402	4.1
243.11276	1.7
247.12233	2.0
248.09254	2.6
249.10225	14.4
250.10979	20.7
251.08327	5.0
251.11818	54.4
251.14386	3.3
252.12538	6.8
253.09755	4.5
253.13379	16.0
254.14114	3.3
255.11346	1.7
261.10245	2.1
262.11029	2.5
263.11801	25.5
264.08679	1.7
264.12570	8.4
265.09766	10.4
265.13358	55.7
266.10486	5.6
266.14001	6.7
267.11395	7.6
267.15005	6.8
268.12097	2.5
269.12848	3.0
271.06042	2.1
275.11789	2.0
277.09720	7.9
277.13376	5.5
278.10471	9.4
279.11325	35.2
279.14490	2.8
280.11963	9.7
281.12915	10.5
282.13483	2.1
283.10828	10.0
283.14249	2.4
284.11679	2.5
285.12418	4.5
287.05545	8.7
291.11310	11.6
292.12119	5.5
293.09549	2.0
293.12814	28.9
294.13577	2.6
295.10809	6.4
295.14435	7.8
296.11584	4.7
297.12302	9.5
298.13141	7.1
299.13989	9.3
307.10742	3.3
309.12323	14.7
310.13086	4.6
311.10272	1.9
311.13889	37.9
312.78891	1.7
313.15475	4.8
319.10709	5.7
321.09180	2.1
321.12415	14.2
323.13873	5.5
325.11926	2.7
325.15482	2.2
335.13873	2.1
337.11758	5.3
338.12592	2.4
339.10110	3.1
339.14053	10.5
341.15146	2.8
351.13464	4.8
352.14288	2.2
353.15106	11.6
355.16663	3.2
356.13644	2.4
357.14285	3.0
358.15457	4.5
365.14801	2.4
369.14841	12.0
370.15353	2.2
371.16132	17.3
372.17108	3.0
381.14389	3.2
383.16071	3.6
395.16098	2.9
399.15845	1.8
400.16483	3.8
411.15619	4.4
413.17072	7.5
414.18097	6.0
416.19672	3.4
419.16144	2.5
423.15652	2.8
425.17236	2.8
432.19165	3.8
435.15436	2.3
437.17059	5.8
440.15961	2.2
441.16336	2.7
442.17593	5.7
443.18182	2.2
447.15952	3.2
453.16370	5.4
455.18094	13.5
460.18680	4.3
463.15051	3.3
465.16632	10.0
471.17792	1.9
473.19379	3.2
474.20163	8.8
481.16055	5.6
482.16425	3.8
483.17789	13.1
492.21240	9.6
495.17642	2.8
497.19205	8.6
501.18781	2.8
513.18744	11.0
514.19043	2.6
515.20319	32.1
516.21088	2.2
534.22369	14.2
540.20770	3.9
558.22186	5.4
560.24200	2.6
568.21368	5.6
576.23309	2.6
586.21979	20.2
587.22040	2.1
588.23651	7.3
600.23468	37.1
601.24200	10.6
602.24988	2.7
604.22754	15.0
605.22900	5.3
606.24316	4.8
618.24579	42.5
619.25336	22.6
620.26080	7.5
624.25446	3.4
635.24115	4.4
636.25525	100.0
637.26160	26.1
638.26770	2.6
654.26154	3.5
655.27191	3.2
673.25537	3.6
675.29590	2.9
681.28979	4.1
690.26031	1.9
691.27191	2.9
708.27399	3.2
709.28790	15.7
723.30298	24.7
726.28748	42.0
727.29834	7.4
741.19220	2.6
741.31366	40.8
745.30548	2.7
758.31232	33.9
759.32397	7.4
777.33337	7.6
899.32379	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5727
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84682	1.0
67.05501	26.4
69.03401	2.4
69.07059	4.9
70.19531	4.9
71.04996	9.8
71.08631	12.5
73.02893	1.0
79.05500	5.7
81.07057	42.6
81.67067	1.0
83.04988	1.4
83.08610	6.9
85.02902	6.9
85.06525	4.7
85.10184	7.5
91.03941	4.0
91.05477	8.3
93.07034	3.8
95.08598	12.8
97.02875	2.7
97.06503	1.2
97.10173	3.1
105.07012	3.4
107.08572	3.0
109.06558	1.1
109.10151	7.2
117.07006	2.5
121.10148	1.1
121.20780	1.0
123.11691	9.1
127.03913	1.9
131.08525	1.1
133.10138	6.3
135.11723	1.8
145.04945	1.8
149.13268	1.8
151.11179	5.0
151.14708	1.2
159.11658	1.7
163.06030	2.4
165.09268	1.2
177.12796	1.8
183.13799	1.7
187.13342	3.2
239.23656	2.2
269.17508	4.2
301.20062	12.9
313.27356	13.2
421.22528	1.1
481.38879	75.4
495.40222	3.6
507.40436	7.4
509.93280	1.2
539.43060	100.0
540.43280	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	894.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.2
67.05492	0.4
68.99783	0.2
69.03430	1.6
69.07071	0.2
70.06571	0.1
70.80013	0.2
70.80352	0.2
71.04986	0.4
73.02901	0.4
77.03899	0.1
78.04713	1.2
79.05486	1.3
81.02968	0.2
81.03415	2.4
81.07043	0.4
83.04957	0.2
85.02421	0.2
85.02903	3.4
85.74985	0.1
87.00831	1.5
89.03904	0.1
89.06026	0.1
90.59965	0.1
91.05469	1.1
91.11884	0.1
93.07044	0.5
94.06570	0.1
95.04973	0.8
95.08596	0.3
96.05740	0.1
97.02886	1.7
99.04469	0.6
103.05463	0.6
105.01881	0.8
105.02522	0.2
105.03352	0.2
105.04494	0.1
105.07027	2.3
106.04166	0.5
107.04951	2.1
107.08584	0.3
108.08106	0.2
109.02875	1.6
109.06494	0.3
109.10162	0.3
111.04464	0.3
115.05461	1.1
117.01865	0.2
117.03377	0.2
117.07011	1.3
119.04939	0.7
119.08601	0.4
121.06522	1.0
121.08530	0.1
121.10134	0.2
122.03661	0.2
122.05984	0.2
123.04426	3.4
123.08033	0.1
124.05215	1.6
125.05981	0.3
125.09602	0.1
126.05495	0.1
127.03910	2.2
129.01857	0.2
129.06981	0.3
131.04893	0.4
131.08553	0.4
133.06491	2.1
133.10156	0.2
134.03618	0.2
135.04395	0.3
135.08073	0.3
135.11655	0.1
137.05949	1.1
141.07002	0.1
143.04695	0.2
143.05647	1.8
144.05809	0.3
145.02859	0.3
145.04967	0.5
145.06490	1.7
145.10098	0.1
147.03355	0.1
147.04382	0.7
147.08034	0.5
147.11684	0.1
148.07643	0.1
149.05954	1.1
151.03905	0.9
151.07588	0.4
152.04691	1.4
153.05443	0.1
155.07089	0.3
155.08530	0.2
156.05701	0.4
157.06422	0.2
159.02927	0.6
159.04216	0.2
159.08057	0.4
161.05975	2.1
162.06769	0.1
162.31671	0.1
163.03859	0.2
163.07507	0.6
165.07024	0.2
165.09068	0.1
166.08694	0.1
167.07036	100.0
168.07372	0.8
169.78989	0.1
171.08061	0.1
172.05182	0.2
173.05991	2.5
175.03883	0.6
175.07503	0.7
176.04607	0.1
177.05501	1.1
177.09094	0.1
178.06187	0.2
179.07021	0.5
181.05013	0.2
181.08565	1.4
187.07527	0.5
189.05539	0.2
189.09024	0.1
190.06259	1.4
191.07021	0.5
192.07880	0.2
193.08604	11.1
195.06502	0.2
195.08305	0.2
195.10197	0.4
198.06735	0.1
203.07104	0.3
205.08611	3.7
207.06525	1.3
207.10144	0.6
209.08115	0.3
211.09648	11.2
215.06979	0.2
217.08604	1.6
219.10170	0.7
221.08093	0.2
223.09583	0.4
223.11801	0.2
225.10361	0.1
227.07030	0.2
231.04993	0.3
231.10168	0.3
233.08046	0.3
235.07454	0.2
235.09613	1.8
239.09099	0.3
239.11670	0.3
241.08577	0.2
247.09579	0.5
249.11230	0.3
250.10907	0.3
251.09120	0.5
251.11775	0.5
252.12257	0.2
253.10664	0.4
253.13165	0.2
259.09689	0.2
263.11646	0.2
264.12308	0.1
265.10675	1.7
265.13382	0.5
266.10620	0.1
269.08087	0.3
271.09586	0.3
273.11200	0.2
275.09357	0.1
277.10617	0.3
279.11108	0.4
281.12817	0.1
287.05469	0.3
289.10751	0.1
293.12729	0.3
295.11575	0.1
297.11859	0.1
298.12753	0.1
301.10648	0.9
308.10483	0.2
311.13745	0.4
312.14041	0.2
315.08643	0.4
319.11758	1.4
323.13165	0.2
325.10995	0.1
330.10980	0.6
331.11728	0.2
337.12738	0.4
339.12961	0.2
351.12482	0.2
353.10281	0.1
369.12430	0.2
371.15152	0.4
383.14835	1.2
401.15894	1.7
405.11746	0.2
417.15048	0.2
423.12766	0.3
442.16916	0.2
483.17377	0.2
515.19928	0.2
601.23993	0.3
611.24316	0.2
618.24939	0.2
619.24908	0.4
631.24207	0.2
632.25446	0.3
636.25171	0.2
637.25543	0.5
716.01013	0.1
720.27338	0.1
721.27441	0.4
742.31879	0.2
753.29852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03964	0.6
67.05502	3.5
69.03423	3.6
69.07053	0.9
71.33836	1.1
73.02915	4.3
79.05512	2.2
81.03426	1.6
81.07056	4.4
84.42812	0.5
85.02902	6.8
91.03946	4.9
91.05475	1.0
93.07039	4.0
95.08630	1.9
97.02895	6.2
99.04484	0.6
101.02408	1.6
103.04064	0.5
107.08595	1.4
109.02893	0.7
109.10166	0.9
119.08607	0.8
121.10168	1.4
127.03963	1.7
131.08566	0.7
135.11713	0.6
145.04970	0.6
149.13268	1.2
157.28555	0.5
159.11711	0.8
182.02048	0.6
185.04251	0.7
203.05283	0.7
207.11105	0.6
218.61917	0.5
235.13095	0.9
243.08452	2.1
291.15948	0.7
347.09631	2.3
365.10388	1.3
373.11655	0.6
405.13586	5.6
453.21024	5.4
519.29449	4.8
569.77600	0.7
615.26062	2.7
681.34412	7.4
731.43530	1.7
737.69855	0.6
893.48669	100.0
894.49005	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	893.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39657	1.5
67.05517	3.9
69.03436	8.8
69.07068	4.5
70.02551	9.6
70.06600	3.6
71.04988	3.1
73.02914	2.1
79.05490	13.7
81.03423	11.5
81.07050	19.1
81.43459	2.0
83.04951	2.6
84.08156	2.2
85.02910	7.2
87.04472	3.0
87.06683	1.9
91.05480	12.6
93.07059	7.0
94.06570	7.1
95.04963	4.4
95.08609	2.8
95.71901	1.7
97.02909	7.2
97.06563	3.2
98.21427	2.5
99.04422	2.7
102.24404	1.6
105.07052	6.7
105.96791	1.8
106.49165	1.7
107.04948	2.7
107.08615	3.7
108.08113	5.6
109.02895	8.3
109.10178	3.8
115.05426	2.4
117.03442	2.3
117.06990	2.4
119.04948	7.1
119.08581	5.3
120.08143	4.9
121.02817	2.0
121.06519	4.3
121.10200	2.6
122.06046	13.5
123.04480	3.2
124.07529	2.5
127.03923	7.2
131.04965	3.8
131.08484	2.2
133.10153	3.0
134.06020	6.2
135.08092	3.3
135.11746	1.8
136.07600	9.0
137.05963	13.5
140.07010	4.0
143.05643	65.7
143.08623	3.0
145.02817	11.6
145.10172	3.2
146.05989	3.9
146.09512	2.0
147.04408	9.7
147.08153	2.3
147.11717	2.7
148.07620	5.7
151.03976	2.4
157.10164	2.8
161.06013	4.3
164.07024	2.5
166.08673	2.6
167.07063	36.3
174.05492	3.8
175.03912	7.0
177.05463	14.4
179.07043	2.0
181.04979	2.2
181.08649	2.9
187.07518	1.8
189.09120	1.9
193.08603	5.1
204.06535	3.3
207.06454	15.3
210.11497	2.3
213.03928	1.8
213.10379	2.7
219.10188	2.1
223.08693	8.7
224.13074	3.3
225.10197	18.6
226.11018	3.9
227.11928	5.6
235.08716	5.5
235.12271	2.7
236.09413	3.9
237.10243	13.3
237.13911	5.7
238.10986	11.7
239.11800	25.4
240.10222	1.9
240.12602	6.5
241.13452	3.0
243.11105	2.0
248.09344	2.6
249.10291	11.5
249.13689	3.1
250.10991	15.2
251.08134	4.9
251.11826	55.0
252.12520	9.7
253.09814	4.7
253.13377	15.2
254.14186	2.7
260.09265	2.1
262.10995	2.7
263.11786	25.5
264.08777	3.8
264.12631	8.4
265.09808	14.8
265.13385	54.2
266.10461	5.1
266.14133	6.2
267.11343	8.0
267.14966	4.9
268.12125	1.9
269.12897	2.7
271.06052	5.0
275.11868	2.9
277.09769	5.9
277.13422	5.0
278.10376	9.2
279.11307	36.3
280.12061	5.3
281.12936	9.7
282.13654	3.2
283.10779	9.3
283.14395	2.6
284.11334	2.3
285.12372	5.4
287.05515	7.8
291.11349	12.0
292.12073	5.0
293.12854	23.7
294.13687	3.2
295.10800	5.8
295.14450	9.6
296.11548	5.6
297.12469	10.2
298.13239	3.8
299.13962	7.3
300.14633	2.5
307.10672	2.4
307.19791	1.9
309.12286	11.8
310.13062	3.6
311.13947	32.4
312.14612	3.2
313.15576	6.0
319.10803	5.5
320.11206	2.1
321.12466	15.0
323.13931	4.8
324.14706	2.9
325.11630	2.0
337.11862	5.3
339.13345	7.2
341.15335	3.1
344.13919	2.1
347.13956	2.2
351.13217	6.2
352.66177	2.1
353.14920	15.0
355.16812	3.9
357.14182	2.3
369.14636	5.3
370.15405	2.3
371.16068	16.9
372.16931	5.2
383.16333	2.6
386.18695	4.3
393.14368	2.7
400.16708	2.7
401.16324	2.0
411.15607	4.6
413.17133	6.8
414.17947	4.7
416.19528	3.2
422.15219	1.8
423.15472	3.5
430.17560	2.7
432.19183	3.3
437.17203	6.0
441.16736	3.4
442.17416	4.0
443.18307	3.9
447.15607	3.4
453.16693	3.4
455.18378	9.0
457.19864	2.6
460.18402	5.4
463.15225	2.7
465.16504	8.1
467.18164	2.3
471.17407	2.4
473.19022	9.0
474.20224	10.1
481.15918	6.4
483.17822	9.1
492.21194	5.3
494.23181	2.3
497.19507	9.2
501.18298	4.4
513.18774	14.8
514.19495	2.5
515.20209	27.8
522.22565	2.1
531.19720	7.6
533.21381	13.3
534.22455	12.8
535.14124	2.4
540.21198	3.3
542.22168	2.0
558.21997	4.0
568.20831	6.7
570.22919	2.1
576.23352	3.6
586.21796	17.4
588.23163	3.4
594.24719	3.0
599.23480	3.2
600.23297	30.4
601.24426	6.9
604.22919	12.8
606.24298	2.7
611.25873	2.2
613.27716	10.6
615.28351	3.1
618.24451	42.5
619.25183	15.6
620.26544	8.7
622.24146	9.5
624.25360	2.7
629.23328	3.0
631.24652	9.3
636.25537	100.0
637.25745	5.9
649.27228	2.3
654.26678	33.9
655.27203	3.9
656.27661	2.6
675.29822	4.7
691.27197	3.4
702.30481	9.9
709.28833	11.3
720.28778	5.3
723.30090	20.7
727.29376	2.8
734.32892	16.8
739.28119	2.5
741.31305	32.3
745.30621	4.3
752.30225	20.5
759.31610	7.8
777.33331	14.4
803.37640	2.5
893.40332	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	888.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.5
65.64507	0.4
67.05505	59.3
69.03434	2.1
69.07069	17.3
69.31178	4.7
71.05002	2.7
71.08629	0.8
73.02914	3.0
76.59268	0.4
79.05493	37.3
80.05805	0.4
81.03422	1.9
81.07058	69.6
82.07397	0.9
83.04987	5.1
83.08621	10.0
85.02903	9.8
85.06552	3.1
85.86306	0.4
91.03964	5.3
91.05479	19.8
93.07043	54.2
94.07368	0.5
95.04967	6.1
95.08607	31.1
97.02886	4.9
97.06537	8.4
97.10167	2.4
99.04470	0.6
99.07485	0.5
99.08099	1.8
105.04549	0.5
105.07032	10.0
106.50389	0.5
107.04932	0.6
107.08595	32.6
109.06523	2.1
109.10154	10.5
111.08078	4.5
111.11698	0.6
113.09647	0.5
116.31236	0.4
117.07023	7.9
119.08578	7.3
121.06512	1.1
121.10145	22.9
123.08073	1.3
123.11702	4.4
125.09615	0.9
126.42379	0.5
127.03895	2.3
127.07521	0.5
129.07018	0.9
131.08562	10.1
133.10136	9.2
135.08072	1.5
135.11687	11.3
137.09648	0.5
137.13283	0.9
139.07516	0.5
139.11200	1.5
143.08577	1.2
145.04956	1.9
145.10138	4.5
147.11690	3.8
149.09663	1.0
149.13257	24.0
150.13588	0.8
151.11230	0.7
159.10451	0.8
159.11703	11.6
161.13286	2.3
163.06058	2.2
163.14822	1.2
165.12779	0.7
167.14371	0.5
171.11766	0.5
173.12007	0.5
173.13245	2.8
175.14905	0.7
177.12790	4.1
185.13264	0.7
187.14890	1.0
195.13808	8.2
201.16525	0.5
213.14883	1.0
243.21036	2.9
253.17850	0.7
259.20627	0.5
261.22144	9.4
267.15933	2.6
269.17474	100.0
270.17862	1.3
317.24832	2.3
335.25800	49.5
336.26038	0.6
419.33224	0.6
437.34161	1.8
455.35071	1.6
473.36472	0.5
511.37604	0.9
529.38904	90.8
530.39276	2.6
547.40009	2.4
888.49158	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.7
67.05505	54.5
69.03431	9.9
69.07072	24.5
71.04979	4.5
73.02914	1.2
79.05070	1.7
79.05495	26.3
81.03417	10.4
81.07062	33.0
83.04987	6.0
83.08618	14.1
85.02890	5.3
85.06529	2.5
87.04468	3.1
91.04968	1.6
91.05489	19.2
93.07037	17.4
95.04981	8.8
95.08610	11.8
97.02878	6.0
97.06531	4.6
97.10172	15.9
99.08109	1.5
105.07033	16.1
107.04966	8.8
107.08598	16.8
109.06507	3.4
109.10159	30.8
111.08105	2.1
115.05460	1.7
117.07018	6.9
119.08582	13.8
121.06486	3.7
121.10126	5.7
123.08021	3.0
123.11768	1.5
125.09634	14.7
129.05473	2.9
129.07025	3.7
131.08575	8.6
133.06483	3.1
133.10138	6.5
134.07195	1.4
135.08052	3.6
135.11707	5.2
137.09593	5.5
143.08569	2.8
143.10710	1.1
145.10143	8.4
147.08060	5.8
147.11658	4.0
149.09595	2.5
149.13235	2.1
151.11125	1.3
153.12746	1.4
155.10663	2.2
157.10086	2.7
159.11681	4.4
161.09630	2.6
163.11205	6.2
165.09079	1.4
169.12175	1.6
173.11731	9.0
175.11189	1.4
177.12730	2.1
189.11209	2.9
191.10680	1.6
199.13316	4.3
209.11743	2.1
223.13290	17.1
227.12679	6.8
229.14375	26.9
249.14812	3.2
253.14456	2.0
267.15973	2.9
273.18497	14.9
275.19934	1.3
283.15399	4.6
291.19547	100.0
292.19757	1.6
301.16443	6.3
347.22302	1.7
365.23221	31.9
399.23767	9.6
489.32205	1.7
507.32932	1.6
519.33295	25.0
573.34106	1.7
591.35229	4.1
609.36237	1.8
689.42401	9.2
887.48297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	5.2
67.05505	100.0
69.03425	10.8
69.07069	29.5
71.01353	2.8
71.04983	5.7
71.34023	4.0
73.02898	2.8
79.05495	50.4
80.92054	1.5
81.03410	20.6
81.06583	3.9
81.07056	66.8
83.04984	16.9
83.08620	18.2
85.02917	12.0
85.06514	3.9
87.04443	3.7
91.05480	38.2
93.06467	3.2
93.07041	44.5
95.04975	14.0
95.08611	32.6
97.02879	7.5
97.06529	15.0
97.10184	21.5
99.04446	1.8
99.08107	3.6
105.04475	1.8
105.07033	26.8
107.04951	10.5
107.08591	39.2
109.02861	1.8
109.06507	7.7
109.10156	55.6
111.04427	3.0
111.08090	6.6
113.09615	1.8
115.05502	1.7
117.07027	13.2
119.08580	23.5
121.06500	5.5
121.10136	14.5
123.04411	1.9
123.08036	3.7
123.11715	1.9
125.09637	17.3
127.03950	3.0
129.05429	3.8
129.06961	5.0
131.08554	17.6
133.06491	3.7
133.10124	20.5
135.08015	5.0
135.11690	13.1
137.09602	6.5
141.06950	1.8
143.08534	3.1
145.10120	17.3
147.08015	2.4
147.11720	11.2
149.09622	10.9
149.13280	10.1
151.11125	2.0
153.12750	2.8
155.10619	2.2
157.10085	5.4
159.11684	12.3
161.09615	2.2
161.13249	3.0
163.11180	13.0
169.10107	1.8
171.11670	3.2
173.02251	1.6
173.11736	19.3
173.13248	4.5
175.11139	2.4
177.12764	2.7
181.12256	4.2
189.11238	5.7
189.12779	1.8
191.10660	4.6
193.12253	6.6
195.13780	4.6
197.13104	2.1
199.13345	4.7
207.13809	1.7
209.11722	5.2
227.12749	15.1
229.14354	42.1
238.05217	1.7
247.20618	2.6
255.15874	8.2
257.18951	6.8
267.16003	4.1
269.17496	15.9
275.20065	26.4
293.21042	2.2
301.16434	10.1
335.25928	1.8
345.21536	1.6
349.23709	24.5
367.24619	4.1
399.23865	16.1
409.25638	5.8
410.83099	1.8
413.21600	1.9
423.27411	16.4
424.33347	1.9
495.29434	4.5
503.33456	11.2
521.34674	2.7
575.35254	2.0
579.35211	3.2
593.36816	20.8
673.42834	7.0
888.49152	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	886.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.9
65.84919	0.4
67.05503	17.0
69.03434	4.3
69.07072	4.0
71.04990	2.7
71.60908	0.5
71.61288	0.5
73.02907	1.0
79.05493	15.8
81.03416	63.1
81.07055	15.6
83.04977	7.5
83.08615	18.0
85.02902	11.2
85.06550	1.3
87.04439	0.5
89.82900	0.4
91.03951	1.9
91.05482	22.5
93.07046	11.3
95.04967	22.3
95.08603	7.0
97.02893	4.5
97.06513	2.4
97.10166	5.0
99.04447	0.5
99.08089	0.9
103.03947	0.5
103.05476	0.9
105.03368	0.5
105.07029	16.7
105.79688	0.4
107.04958	6.0
107.08588	7.3
109.02882	1.7
109.06503	3.8
109.10146	3.6
111.04450	2.3
111.08078	7.6
113.06023	1.3
115.05459	1.9
117.03359	0.6
117.07011	2.9
119.04916	2.5
119.08579	13.2
121.06491	4.6
121.10138	7.8
121.85802	0.4
122.06057	0.5
123.04448	1.1
123.08065	2.8
123.11730	1.2
125.05988	0.5
125.09618	3.7
127.03916	2.4
128.06197	1.2
129.05537	0.8
129.07013	9.7
131.04921	1.4
131.08575	10.2
133.06496	4.2
133.10133	6.7
135.04440	0.8
135.07997	2.1
135.11720	1.0
137.02341	0.6
137.05959	2.2
137.09625	1.7
141.06979	1.1
142.07753	2.4
143.05643	6.5
143.08597	1.6
144.05933	0.8
145.02849	1.1
145.04988	1.0
145.06491	4.5
145.10120	2.9
147.04401	3.2
147.08037	4.0
147.11684	10.7
149.05984	0.9
149.09610	6.0
151.03937	0.7
151.07597	0.7
151.11163	0.8
153.01759	0.4
155.08548	1.2
157.06529	1.1
157.10126	11.9
159.08081	1.3
159.11676	1.0
161.05977	1.1
161.09589	1.2
163.03925	0.5
163.06035	0.9
163.11194	1.9
165.12679	2.2
167.07054	3.4
167.08496	0.8
169.06506	0.6
169.10156	1.0
171.08037	0.8
171.11650	1.0
173.09598	0.9
175.03934	2.6
175.07556	0.4
175.11176	10.3
177.05499	4.1
177.12865	0.5
178.05788	0.6
181.04987	0.5
181.06506	0.7
181.10074	0.5
184.07310	0.5
185.09604	1.1
185.13269	1.2
187.11182	1.0
187.14825	0.7
189.11209	2.0
189.12790	1.2
191.10545	0.7
193.12244	29.3
195.08072	0.5
195.11737	0.9
197.09575	0.5
197.13202	0.5
201.05411	0.6
203.14188	0.5
205.12231	0.9
207.06549	5.0
209.13422	0.6
211.11301	0.7
211.13246	11.6
213.12675	1.0
215.14299	0.8
217.12207	0.5
223.13376	0.5
224.37561	0.5
227.12723	1.2
227.14690	0.5
229.14365	1.8
230.28227	0.4
231.13858	0.8
233.15392	1.0
235.13307	0.5
237.12657	0.8
245.15509	0.5
249.14900	1.7
251.11742	0.5
252.11839	0.4
255.13896	2.0
259.13269	0.5
267.15906	100.0
268.16125	0.6
273.14871	4.6
285.16956	12.1
287.05493	3.1
287.16556	0.7
301.14258	0.8
309.17032	1.2
323.19247	0.6
337.16452	0.5
339.23404	1.0
341.21167	1.1
349.21548	2.9
357.24185	1.0
367.22632	8.2
385.23715	10.8
403.24820	2.8
405.24234	0.9
415.24869	0.9
433.25842	17.6
441.26376	7.3
459.27402	79.3
460.28036	0.6
477.28476	47.5
478.28726	0.6
491.29767	1.2
501.28281	1.7
509.30737	0.6
519.29712	2.7
567.29742	0.7
573.30475	0.9
585.30225	2.0
599.16125	0.6
603.31311	1.6
621.32343	1.0
886.42694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38007	4.1
67.05173	5.4
67.05508	73.0
69.03417	12.1
69.07057	16.0
71.04984	15.5
71.60354	5.1
71.60763	5.5
71.88567	3.7
77.74990	4.3
78.32127	4.4
79.05126	4.8
79.05502	47.8
79.15465	3.5
81.03422	23.7
81.07056	100.0
83.04967	17.1
83.08616	9.9
85.02888	10.0
87.76611	4.3
89.86816	4.2
91.05488	34.9
93.07040	49.3
95.04944	5.0
95.08617	29.8
97.02882	14.9
97.06530	6.0
105.07018	16.7
107.08577	25.8
109.02888	9.5
109.10180	14.3
117.06992	4.7
119.08566	15.5
121.10151	17.2
123.11712	9.7
127.03902	13.2
129.05438	4.9
131.08559	8.9
133.10130	19.0
135.11697	10.7
145.10144	7.7
147.08031	5.5
147.11674	6.4
149.13274	9.1
159.11667	6.1
173.04495	9.1
173.13257	4.9
187.13318	6.3
195.13713	6.0
211.14983	4.2
243.16069	5.3
246.93207	4.7
252.14459	4.1
261.22073	5.3
275.18979	4.4
329.11041	4.2
335.25793	35.3
503.30524	5.4
503.37384	65.5
529.38983	26.1
561.41443	68.1
567.87122	5.0
623.07928	4.7
705.45160	16.7
885.55237	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	885.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	4.2
67.05495	7.4
69.03430	8.2
69.07062	5.0
70.06588	1.7
71.04996	2.3
71.60760	2.5
79.05502	5.5
81.03424	13.9
81.07044	7.6
83.04972	2.5
83.08632	1.6
85.02911	6.6
85.07689	1.6
91.05484	75.9
93.07031	5.0
94.06557	3.5
95.04962	3.4
95.08612	3.7
97.02889	6.6
97.06528	1.8
100.79417	1.4
103.05493	2.4
105.07036	5.6
106.06561	1.5
107.04971	3.4
107.08596	4.0
108.08121	6.1
109.02879	8.0
109.06411	1.7
109.10149	1.8
111.08081	1.9
117.03387	2.9
117.07023	2.8
118.06587	1.9
119.04926	11.1
119.08560	3.3
120.08118	2.6
121.10197	2.1
122.06046	17.2
123.04455	2.1
127.03912	6.1
128.41290	1.3
129.07028	2.6
131.08589	2.0
133.01750	1.7
133.06508	2.2
133.10109	1.4
134.05963	3.0
135.04402	2.0
135.08031	1.6
136.07574	9.0
137.02377	1.6
137.05995	5.8
140.07076	3.4
143.05644	15.6
143.08563	1.8
143.80009	1.4
145.02831	4.0
147.04411	10.8
147.11723	1.8
148.07570	4.4
149.06018	3.2
149.09604	2.0
150.09117	1.7
151.07596	2.0
153.01878	2.0
163.03833	2.0
163.07477	1.8
163.11177	1.7
164.07077	2.1
166.08658	2.5
167.07060	7.9
174.05518	3.2
175.03940	15.7
175.07413	2.0
177.05490	8.7
181.04919	1.7
190.05034	1.7
191.10658	1.4
204.06708	1.8
207.06544	32.1
208.06802	2.6
213.10208	2.1
222.11458	2.2
223.08673	7.1
223.12294	5.7
224.13060	2.3
225.10208	22.4
225.13829	3.5
226.11003	4.5
226.21126	1.4
227.11786	4.8
232.09666	2.2
235.08688	5.9
235.12215	1.7
236.09538	5.4
236.13048	2.8
237.10278	16.1
237.13824	5.0
238.10982	8.7
239.11774	19.5
239.15460	1.8
240.12569	5.1
240.82108	1.4
241.09715	2.7
241.13351	4.4
248.09302	1.5
249.10226	12.7
250.10954	13.3
251.08185	5.5
251.11804	45.6
252.12552	11.6
253.09755	3.3
253.13390	16.6
254.14201	1.6
254.89305	1.4
261.10007	1.8
262.11069	2.4
263.08768	2.2
263.11771	22.9
264.09360	2.4
264.12506	6.8
265.09756	14.8
265.13379	49.3
266.10461	5.1
266.14124	8.1
267.11459	8.1
267.14725	6.9
268.12036	2.2
269.12997	3.1
275.11835	3.1
277.09756	6.1
277.13303	5.5
278.10620	6.1
279.11285	27.7
280.09357	1.5
280.12064	6.8
281.12854	9.7
282.13733	1.9
283.10818	8.2
283.14423	4.2
285.12488	4.6
287.05502	53.6
288.05972	3.0
291.11325	10.2
292.12076	2.4
293.12860	25.8
294.13660	3.8
295.10995	3.6
295.14450	11.7
296.11642	2.9
297.12384	13.5
298.13129	5.7
299.13898	11.4
300.14966	3.9
303.11404	3.5
305.12857	3.0
307.10654	2.1
309.12326	15.1
310.13101	4.6
311.13916	36.0
312.14844	3.6
313.15390	8.5
319.10852	5.0
321.12451	9.7
323.10419	1.9
323.13931	6.5
325.15512	4.7
337.11850	6.3
338.12558	3.0
339.13440	10.3
341.14859	4.5
344.13998	1.7
351.13391	3.7
353.14920	12.8
355.16882	3.1
356.13742	1.9
357.14609	3.3
358.15240	4.1
367.11957	4.4
369.14398	8.3
370.15237	3.2
371.16074	20.1
372.16898	4.7
373.17654	2.3
381.14200	1.8
383.15955	1.8
385.17810	1.8
386.18753	3.1
400.16406	2.8
411.15649	5.7
412.16345	2.2
413.17200	9.2
414.18243	7.6
416.19785	4.6
419.16013	2.2
432.19177	5.1
435.15329	3.5
437.17084	4.3
439.18893	2.3
440.16086	2.5
441.16888	2.1
442.17499	6.3
443.18420	4.1
447.15417	2.6
453.16333	5.2
454.17526	3.0
455.18265	14.1
457.20126	3.7
458.17340	1.8
460.18738	4.7
462.20099	1.7
463.14850	3.6
465.17059	6.8
467.18115	2.5
471.17532	3.4
473.19351	3.3
474.20407	10.0
479.18015	2.5
481.16089	7.9
482.16806	2.4
483.17621	12.7
485.19003	3.1
492.21320	9.5
494.22528	2.8
495.17621	3.4
496.18417	2.0
497.19180	9.2
499.16907	2.1
513.18652	14.8
514.19238	3.0
515.20337	30.3
516.20551	1.8
531.19922	5.1
532.20190	2.7
533.21600	3.0
534.22345	15.8
540.21326	2.7
542.22772	4.5
558.22461	4.5
568.20380	6.3
576.23047	3.0
582.21686	2.4
586.21948	18.4
588.23065	6.5
594.24213	1.8
600.23462	41.9
601.24207	12.8
602.24603	4.6
604.22791	17.5
606.24176	5.4
618.24475	51.6
619.25201	21.9
620.25891	10.2
621.24182	8.0
623.26013	21.6
636.25525	100.0
637.26050	8.2
638.27252	4.1
653.25983	2.6
654.26569	8.0
655.27478	2.8
675.29742	2.5
691.27625	3.6
709.28894	11.3
712.28625	11.8
723.30353	27.7
727.29645	2.7
741.18866	2.8
741.31250	31.6
744.31213	37.3
745.31647	3.3
759.32129	3.8
777.32990	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	883.397
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	1.3
67.05495	5.0
70.06584	3.4
70.11694	4.6
70.12109	1.7
71.01326	2.5
71.04980	3.6
73.02901	3.8
79.05487	3.2
81.03419	7.7
81.07043	1.5
83.04978	2.3
85.02910	10.3
87.04458	1.7
89.03925	1.4
91.05479	5.3
93.07026	3.3
94.06543	4.2
95.01270	1.6
95.04962	4.4
97.02868	5.6
97.06519	2.0
101.02342	2.0
105.07018	2.5
106.06544	2.1
107.04958	2.6
108.08125	10.5
109.02868	5.9
113.02377	1.7
115.05482	1.4
116.36494	1.6
117.03389	1.9
118.06487	2.9
119.04941	4.7
119.08564	2.6
120.04446	3.1
120.08067	1.8
121.10143	1.7
122.06034	16.4
123.04406	2.7
124.05191	1.3
124.07618	1.6
126.36719	1.3
127.03904	4.8
129.05492	1.8
131.03465	2.0
131.04886	1.9
134.05968	3.6
136.07602	12.2
137.05968	6.0
139.33012	1.3
140.07040	3.8
141.01839	2.4
143.04605	1.6
143.05661	29.8
145.02809	5.1
146.06021	7.0
147.04445	6.5
148.07584	12.6
150.09152	1.6
151.07523	1.6
152.07066	2.4
154.08611	1.4
160.07593	2.2
161.05933	2.6
162.09140	2.1
163.03911	1.4
164.07071	3.9
166.08618	3.8
167.07054	10.8
172.03970	1.4
174.05473	4.3
174.09184	2.3
175.03946	5.6
177.05492	9.0
180.10220	3.0
190.04976	3.2
193.08655	2.0
194.08417	1.3
199.08620	2.4
201.10178	1.6
204.06537	4.6
207.06516	7.7
208.09706	5.0
209.10583	1.9
210.11423	1.6
211.08534	1.7
211.12321	3.1
213.10269	2.7
221.10817	1.4
222.11429	3.1
223.08679	6.0
223.12292	5.5
224.13089	2.6
225.10226	18.7
225.13895	5.6
226.10966	4.1
227.08186	1.5
227.11841	4.8
232.09775	1.9
233.10864	1.6
234.11559	1.9
235.08676	6.7
235.12294	3.3
236.09424	5.7
237.10219	18.8
237.13811	7.7
238.10953	13.1
239.11827	26.0
239.15399	2.3
240.12518	9.7
241.09773	2.2
241.13329	4.3
243.11304	3.1
247.12326	2.0
248.09338	4.0
248.10841	1.7
248.13051	2.2
249.10202	13.7
250.11008	25.0
251.08186	6.5
251.11794	73.7
252.12555	12.2
253.09715	4.2
253.13341	21.7
254.14200	2.9
255.11292	3.0
262.10770	2.2
263.07977	1.7
263.11801	34.6
264.08905	3.1
264.12579	8.7
265.09781	14.8
265.13345	81.5
266.10538	9.2
266.13956	8.2
267.11313	8.6
267.14789	9.0
268.12149	2.7
269.12781	4.1
271.05963	5.7
275.11749	4.2
276.12595	2.6
277.09723	7.7
277.13382	5.7
278.10379	12.0
279.11279	40.6
280.12006	7.7
281.12891	8.9
282.13721	1.6
283.10754	8.4
283.14099	3.2
284.11630	2.6
285.08105	1.3
285.12375	6.3
287.05557	2.9
291.11316	7.2
291.14160	1.5
292.11975	4.4
293.09671	2.0
293.12814	35.5
294.13501	5.8
295.10730	8.4
295.14404	12.9
296.11557	5.7
297.12381	12.8
298.13104	6.1
299.13950	9.5
305.08765	1.4
305.12622	2.9
306.09857	1.6
307.11053	2.6
307.14429	2.3
309.12415	14.1
310.13016	4.7
311.13895	48.9
312.14359	3.5
313.15576	7.3
319.10706	5.8
319.14117	1.5
321.12347	22.2
323.10178	1.8
323.13925	3.8
325.11591	2.0
327.13715	1.9
337.11621	4.6
338.12515	2.8
339.13492	13.1
341.14905	4.4
344.13828	2.5
351.13199	4.5
352.14050	2.0
353.14963	17.3
355.16629	3.2
357.14584	2.8
365.15057	1.6
369.14554	10.2
370.15372	3.3
371.16052	26.2
372.16904	4.3
379.16882	1.7
381.14456	3.0
383.16086	4.2
385.17654	18.6
386.18546	3.7
387.15714	1.5
393.14182	1.6
395.15921	4.0
399.15445	1.8
400.16458	3.1
402.18399	2.0
411.15656	8.2
412.16360	3.0
413.17114	41.4
414.18082	8.9
416.19830	2.7
419.15619	2.1
425.17157	2.8
427.18964	3.2
432.19095	4.5
435.15262	2.6
437.17029	6.5
441.16580	4.2
442.17654	6.5
443.18311	10.6
445.19769	63.8
446.20419	2.2
447.16006	2.3
453.16528	5.2
454.17233	2.0
455.18018	14.4
456.18951	2.3
460.18408	4.0
461.16769	1.6
463.14990	3.4
465.16330	6.1
468.65192	1.8
473.18958	2.8
474.20340	8.4
479.18121	1.6
481.16058	7.0
482.16837	3.5
483.17673	13.7
485.18945	2.0
489.18469	2.0
492.21423	10.2
494.22513	2.9
495.17255	3.3
497.19647	8.3
501.18353	3.8
513.18665	12.9
514.19562	3.0
515.20209	34.6
516.20795	2.3
534.22443	17.9
540.21490	2.3
542.22784	2.1
552.22974	3.3
554.24573	5.0
558.22131	3.1
561.21436	1.9
566.24982	16.1
568.21014	6.9
576.23291	2.3
583.25049	1.6
585.26306	1.6
586.21277	13.7
587.21185	2.3
588.23053	7.1
589.20203	16.2
590.20660	1.8
594.24298	2.3
600.23462	33.4
601.24365	9.6
602.25049	3.1
603.21790	2.2
604.22833	13.4
606.23798	3.8
618.24487	40.1
619.25378	26.2
620.25903	11.4
621.22797	68.8
622.23138	4.1
628.16504	1.8
636.25549	100.0
637.26013	6.3
638.26422	2.8
654.26196	5.6
655.26678	3.3
656.26855	2.0
657.28864	8.2
675.30188	10.4
681.28247	2.2
689.31213	2.5
692.27399	2.1
707.32837	7.3
709.28589	10.9
710.29279	29.2
723.30170	23.8
727.29407	3.6
728.29437	2.5
741.19055	2.3
741.31329	35.0
742.31372	29.9
743.28851	2.7
745.29333	1.9
759.31934	6.0
777.33704	8.9
851.35596	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.3
67.87530	0.6
69.02602	1.2
69.03428	2.3
69.07063	1.8
70.06557	1.0
71.01373	2.6
71.60227	0.5
71.60692	0.9
73.02923	4.8
75.69504	0.5
79.05511	0.8
81.03408	1.7
81.07092	1.0
83.01402	0.5
83.04987	0.7
85.02908	7.2
91.05496	3.4
93.07037	1.5
94.06567	2.7
95.01326	1.5
95.04965	1.6
95.08614	0.7
97.02882	1.7
99.04448	0.7
101.02390	1.5
105.07024	1.3
106.06518	0.9
107.04938	1.0
107.08578	0.9
108.07509	0.5
108.08103	2.8
109.02891	1.5
109.10132	0.6
111.08140	0.5
113.02386	2.1
117.03379	0.8
119.04980	1.7
120.08090	1.5
120.29937	0.5
121.10188	0.6
122.06035	9.4
122.09680	0.6
127.03937	1.6
129.05505	3.4
131.03419	0.9
131.04901	0.8
133.06496	0.6
134.06020	2.2
136.07603	4.9
137.05983	2.2
140.07048	0.5
141.01842	1.8
143.05650	22.5
144.04330	0.6
144.06009	1.6
145.02795	1.3
145.06334	0.6
146.06020	2.3
147.04413	2.2
148.07602	5.5
150.09187	1.2
151.03960	0.5
152.07063	0.9
153.12877	0.6
160.07603	0.6
161.06004	0.8
162.09167	1.3
163.03893	0.8
163.07588	0.8
164.07065	1.6
166.08655	1.4
167.07068	2.9
172.07567	0.6
174.05533	1.8
175.03867	2.8
176.06998	0.6
177.05482	3.6
180.10255	0.8
181.05067	1.0
190.04988	1.1
192.06580	0.7
197.10936	0.6
201.10423	0.7
204.06613	1.4
207.06525	5.2
208.09764	1.2
209.10770	0.6
210.09230	0.6
210.11472	0.8
211.12312	1.6
213.10312	0.7
220.09920	0.5
221.10760	1.2
222.11369	1.0
223.08673	4.9
223.12186	3.4
224.13037	0.8
225.10239	11.2
225.13913	1.4
226.10983	1.9
227.08241	1.0
227.11794	4.0
234.11440	0.9
235.08601	4.6
235.12318	1.4
236.09418	3.4
236.13107	0.9
237.10262	7.2
237.13902	3.9
238.11032	6.1
239.11757	10.4
239.15491	0.9
240.12497	4.3
241.09705	1.3
241.13377	1.4
243.11412	0.7
247.12410	1.1
248.09560	2.6
248.13103	0.7
249.10223	7.9
250.10989	10.6
251.08119	3.6
251.11809	34.1
252.12538	4.6
253.09810	2.3
253.13358	8.9
254.14104	0.9
255.11183	0.8
262.11060	1.2
263.11823	18.5
264.09009	1.9
264.12619	3.8
265.09833	8.0
265.13419	33.1
266.10587	3.5
266.14120	2.4
267.11356	6.3
267.14963	3.0
268.12115	1.0
269.09128	1.2
269.12915	2.1
271.05875	0.7
275.11887	1.7
276.12576	0.7
277.09796	3.3
277.13388	1.6
278.10376	5.0
279.11298	19.5
279.14423	1.0
280.11960	3.9
281.09662	0.9
281.12833	5.4
282.13269	0.6
283.10867	5.2
283.14160	0.9
284.11353	0.7
285.12418	1.6
287.05447	1.0
291.11188	4.4
292.12152	1.9
293.09286	4.0
293.12897	17.3
293.16171	0.9
294.10168	1.5
294.13620	1.2
295.10861	3.2
295.14447	4.1
296.11612	2.0
297.12308	5.8
298.13181	2.5
299.13956	2.0
301.12073	0.6
304.12256	0.5
305.09299	0.9
305.12827	0.6
306.09937	0.6
307.10858	2.9
307.14041	0.7
308.11624	1.1
309.12381	9.5
309.15793	1.0
310.13016	1.3
311.13931	20.6
312.14578	1.1
313.15494	2.1
319.10709	3.1
320.11578	0.9
321.12387	5.6
323.10416	0.5
323.13989	1.9
325.11862	1.6
325.15390	0.8
326.12939	1.0
335.10590	0.8
337.11920	1.2
338.13138	0.6
339.13431	3.3
341.15128	2.1
344.14001	1.8
344.17776	0.7
351.13416	2.7
353.14999	3.5
354.15997	0.6
355.16721	1.1
356.14163	0.9
357.14468	1.7
358.15585	1.6
361.17819	0.8
365.14868	0.6
367.12616	1.1
367.16687	1.3
368.13574	0.8
369.14612	3.2
370.15250	2.9
371.16068	6.7
372.17044	2.3
373.17853	0.8
383.16080	12.7
384.16882	1.9
385.13004	1.1
385.17651	16.9
386.14294	0.7
386.18710	2.1
395.16296	1.3
397.13547	0.6
397.18057	0.9
398.14847	1.8
399.15662	2.1
400.16724	1.9
401.17340	0.6
411.15552	11.7
412.16235	8.2
413.17108	19.6
414.17917	3.0
430.17160	0.7
431.18246	0.8
432.19293	1.1
441.16898	1.0
442.17432	1.4
443.18143	21.2
444.18893	2.2
445.19748	29.0
446.20370	0.7
451.14978	0.7
455.18106	1.0
465.16641	1.1
469.16296	1.6
474.20209	1.1
481.15897	0.7
483.17737	2.1
488.22165	1.1
492.21353	1.2
497.15414	1.0
506.22852	7.6
511.17108	1.1
513.18866	0.8
515.20154	2.7
516.21625	2.4
534.22388	42.1
548.23602	0.8
554.24860	4.0
561.20587	0.9
566.25031	100.0
567.25574	1.3
573.20880	1.4
585.27014	1.0
586.26947	2.0
587.21783	2.3
589.22467	4.5
603.22369	0.8
619.21161	9.9
621.22803	20.5
622.23993	0.7
636.25726	0.8
657.29346	0.9
675.30151	8.9
678.26434	0.7
689.31805	1.0
692.24158	0.7
696.26959	0.7
707.32910	12.5
710.25610	22.2
724.27466	2.4
725.27917	1.4
728.30188	23.4
731.65265	0.6
741.30597	0.7
742.28204	51.3
743.28717	3.0
760.32355	2.7
819.34344	2.3
851.33362	0.8
883.29529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.3
67.05500	10.0
69.03426	1.5
69.07063	5.8
69.33723	7.2
69.36729	0.7
71.04999	0.9
71.08630	12.8
79.05489	13.0
81.03400	1.4
81.07056	15.5
83.04978	1.1
83.08616	10.1
85.02911	3.9
85.10175	6.9
89.06024	0.8
91.03957	1.5
91.05467	4.2
93.07039	17.9
95.04432	0.8
95.04932	4.0
95.08602	29.8
97.02893	3.4
97.06541	2.1
97.10170	2.4
98.21504	1.8
99.04454	2.2
105.07027	2.9
107.04955	5.2
107.08594	14.5
109.10150	5.6
111.04407	1.5
117.06977	4.2
119.08593	4.9
121.06506	3.7
121.10143	7.3
123.11703	1.6
125.06008	2.0
130.07817	1.2
133.10158	1.5
135.11685	29.5
137.13251	1.0
139.07567	1.4
145.04910	1.1
145.10118	16.5
153.12711	0.8
163.11172	42.6
181.12210	6.9
209.11751	1.1
227.12767	46.8
239.23782	1.4
283.15384	82.2
290.51843	0.8
313.27353	79.4
314.27679	1.0
383.72504	0.7
480.60828	0.7
503.17773	0.9
521.38373	100.0
522.38800	2.1
562.19458	0.8
822.33514	0.8
905.51508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.2
62.18578	0.5
64.62222	0.5
67.05502	9.0
68.05863	0.6
69.03426	3.0
69.07076	3.8
69.86653	1.1
69.87070	2.1
71.04996	0.8
73.02921	2.7
79.05489	4.9
81.03417	2.7
81.07055	7.5
83.08627	1.7
85.02902	4.8
91.03976	2.1
91.05485	4.4
91.61653	0.4
93.07043	4.0
95.04987	1.3
95.08598	2.8
97.02882	3.8
97.06509	0.7
97.10188	2.0
99.04468	0.8
101.02385	1.4
105.07005	3.5
107.04971	0.5
107.08614	2.7
109.02875	0.6
109.06517	0.5
109.10159	4.9
117.07007	0.8
119.08563	2.3
119.66653	0.4
121.06533	0.5
121.10155	0.7
123.04460	0.6
125.09662	1.2
127.03946	1.9
129.04163	0.4
129.07053	0.6
131.08603	1.4
133.10172	1.3
135.11765	0.8
137.05998	0.5
145.10097	0.7
147.11696	0.9
149.13319	0.5
159.11646	0.7
173.11769	1.1
185.04298	0.9
189.11185	0.6
228.36278	0.4
229.14410	1.5
230.14557	0.6
243.08406	2.8
273.18802	0.5
285.10208	0.6
291.19614	1.2
292.19916	1.0
300.30063	0.5
301.09171	0.6
313.08755	0.6
327.11087	0.5
333.20172	1.5
349.16791	0.7
351.21124	1.7
365.23438	0.7
366.23853	0.9
367.17715	0.7
389.23700	0.5
439.19672	0.6
519.32886	1.1
520.33575	3.3
524.10651	0.5
551.28320	5.2
569.29242	7.6
879.50696	100.0
880.50940	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	879.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.5
67.05183	1.5
67.05496	8.7
69.03423	9.6
69.07098	2.3
69.42106	6.8
69.42534	4.4
70.06583	2.5
71.04988	2.0
77.94920	1.3
78.04727	1.6
79.05499	4.6
81.03407	12.9
81.07075	6.1
83.04981	2.6
83.59924	1.5
85.02911	8.3
87.06746	1.4
91.05486	10.2
93.07041	4.5
94.06557	6.7
95.04967	4.0
95.08625	2.8
96.04577	1.8
97.02899	6.7
97.06529	2.2
98.06047	1.2
99.04466	2.8
103.05459	1.4
105.03347	1.5
105.07046	4.8
105.56178	1.3
107.04935	3.2
107.08609	3.5
108.08136	7.5
109.02887	8.4
109.06534	2.0
109.10164	2.0
111.04456	1.2
117.03422	2.0
117.06929	1.5
119.04957	5.8
119.08555	1.7
120.08098	4.3
121.02856	1.4
121.06489	1.8
121.10176	2.8
122.06023	17.4
123.04460	1.9
127.03932	9.1
129.07024	1.8
131.04921	3.2
131.08498	1.8
133.06523	3.1
133.10117	3.3
134.06046	3.5
135.04390	2.1
136.07578	10.7
137.05978	14.7
138.06389	2.0
138.09044	1.8
140.07074	4.5
143.05647	60.4
144.08090	1.4
145.02815	6.2
145.06500	1.4
146.03230	1.4
146.06009	4.1
146.09602	2.0
147.04401	5.2
147.08057	1.4
147.11699	2.4
148.07574	7.5
149.06067	2.8
149.09636	2.0
150.09142	1.8
151.03900	1.8
151.07599	2.5
152.07025	3.5
160.07545	1.8
161.06009	3.0
161.09659	2.1
162.09122	1.6
163.03932	2.9
163.11217	1.8
164.07100	2.7
166.08650	2.6
167.07054	15.3
172.03925	1.7
173.06064	1.6
174.05533	4.8
175.03900	5.8
175.07507	2.4
177.05528	11.9
179.07112	1.6
181.04955	2.6
181.08670	1.4
189.09055	1.5
190.04906	1.9
196.07329	1.4
201.05702	1.6
203.06985	2.5
204.06491	2.1
207.06552	11.6
208.09697	3.1
209.10492	1.7
211.08662	1.5
211.12196	2.1
219.10196	1.9
222.11412	3.8
223.08755	7.8
223.12253	6.4
224.09335	1.5
224.13118	3.5
225.10275	23.8
225.13919	4.5
226.08804	1.4
226.10971	5.1
227.11723	6.8
230.08102	1.9
234.11520	1.7
235.08687	7.6
235.12410	3.0
236.09447	4.6
237.10210	16.5
237.13956	6.2
238.10902	14.1
238.12720	1.2
239.08278	1.4
239.11795	21.2
240.12607	6.0
241.09808	1.7
241.13332	3.8
247.12369	1.8
248.09335	3.5
249.10225	13.0
250.10934	18.5
251.08200	4.5
251.11789	54.2
252.12564	11.2
253.09731	5.2
253.13367	17.2
254.14119	3.9
255.11385	2.4
255.14885	1.4
261.10092	1.7
262.10947	2.0
263.07855	1.9
263.08755	2.1
263.11786	30.6
264.08926	3.1
264.12506	9.0
265.09775	13.9
265.13373	54.1
266.10538	8.2
266.13791	6.4
267.11429	8.0
267.14731	7.4
268.12039	3.7
269.12891	4.1
271.06036	1.9
275.11780	3.6
276.12701	2.0
277.09622	5.8
277.13391	5.0
278.10501	6.9
279.11282	36.8
279.14432	2.2
280.12042	10.5
281.12863	11.7
283.10815	7.2
283.14136	1.9
285.12296	3.7
287.05505	9.9
291.11337	7.2
292.11926	3.6
293.12860	30.1
294.13739	3.0
295.10834	5.0
295.14413	13.2
296.11600	4.1
296.14914	1.5
297.12305	13.9
298.13226	5.1
299.13913	10.8
300.14636	3.6
303.11337	2.2
305.12836	2.9
306.59756	1.8
307.10767	3.9
307.14258	1.3
309.12302	15.1
310.12930	6.5
311.10251	1.9
311.13904	39.4
312.14453	4.3
313.15378	6.7
317.12979	1.4
319.10861	5.6
320.11349	1.9
321.12296	14.4
322.13144	2.3
323.10440	1.6
323.13843	7.3
325.15390	3.1
326.16397	1.5
331.07962	1.9
335.13867	2.2
337.11743	5.4
337.15714	1.8
338.12698	2.6
339.13498	10.0
341.14700	5.0
344.13785	2.7
344.17636	1.7
351.13611	5.9
353.14978	16.8
355.16522	4.6
356.14413	1.6
357.15005	2.9
358.15485	4.1
367.16815	1.5
369.14584	11.2
370.15631	2.5
371.16068	22.5
372.17047	4.0
377.14767	1.5
381.14285	3.0
383.15784	2.8
386.18842	3.1
393.14700	1.6
398.19064	1.6
399.15683	2.1
400.16406	3.2
407.15250	1.4
411.15546	6.4
412.15945	2.2
413.17172	10.1
414.17914	6.5
416.19650	5.4
423.15201	1.9
425.17142	1.9
426.18698	1.6
432.19138	5.9
435.15738	5.2
437.16983	6.2
440.15536	2.4
441.16544	3.9
442.17273	4.6
443.18304	3.9
447.15524	2.0
453.16565	6.0
454.17169	1.8
455.18048	16.3
456.18460	1.7
457.19540	3.9
459.17731	2.8
460.18719	5.5
463.15161	3.6
465.16690	4.5
467.17960	3.8
471.17853	6.3
473.19208	9.2
474.20251	8.6
479.17786	2.3
481.15634	6.8
482.16782	2.9
483.17639	12.8
492.21194	8.2
494.23212	3.6
495.17499	2.5
497.18887	9.1
499.17078	1.9
501.18918	3.0
502.20108	1.8
513.18787	15.9
514.19336	2.6
515.20276	31.9
516.20770	2.3
531.19733	4.3
533.21198	12.2
534.22443	19.9
540.21106	3.4
542.22717	2.7
558.22266	3.8
568.21289	7.0
570.22430	1.7
576.22723	2.4
583.24817	1.9
585.24109	3.6
586.21936	21.3
588.23602	7.7
594.25183	2.4
599.25763	2.8
600.23425	40.4
601.24207	12.2
602.24768	4.7
604.22949	16.5
606.24323	4.2
615.26135	1.7
617.27051	8.2
618.24506	47.5
619.25134	24.0
620.26080	12.3
622.24048	8.8
624.25403	2.8
636.25507	100.0
637.25879	6.6
638.26666	3.1
654.26776	26.2
655.25812	5.6
673.26184	2.2
675.30280	3.3
681.28668	2.3
688.28235	3.4
691.27283	4.4
702.30658	2.2
706.29779	13.1
709.28827	11.7
720.30859	5.9
723.30280	24.1
724.30029	5.6
727.29382	3.5
738.32129	6.3
741.31323	29.4
742.31641	1.8
745.31274	2.9
759.32098	5.5
777.33093	9.6
879.28766	2.1
879.41479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	0.1
67.01870	0.6
67.05498	0.2
68.99474	0.1
68.99799	0.4
69.03433	0.8
70.08276	0.5
75.58573	0.1
76.61306	0.1
78.59455	0.1
79.05473	0.1
80.78735	0.1
81.07067	0.1
85.02894	0.2
88.55353	0.1
89.03906	0.4
91.05479	1.1
95.08601	0.2
95.49487	0.1
97.02898	0.2
105.07024	0.2
107.04963	0.3
109.02827	0.1
117.03393	0.3
119.04939	2.1
123.60806	0.1
127.03927	0.5
129.01845	0.2
130.95593	0.1
132.01985	0.1
133.06572	0.1
135.04407	1.7
137.02339	0.4
137.05972	0.2
143.05658	0.7
147.04407	2.2
151.03949	0.1
153.01826	4.5
161.02359	0.6
164.04643	0.1
167.07097	0.2
171.02904	0.9
175.03902	4.4
177.05453	0.3
179.03535	0.2
179.07043	0.2
192.04170	0.2
203.03424	0.2
207.06522	11.0
207.13884	0.2
208.06905	0.2
213.05450	0.2
225.07584	0.3
241.04974	0.6
263.05569	0.1
269.04324	0.5
273.11331	0.1
287.05490	100.0
288.05847	1.3
291.08466	0.1
296.56812	0.1
351.10669	1.3
369.11801	5.7
447.45010	0.1
515.20142	0.1
573.28937	0.1
735.47418	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	877.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.1
65.03934	0.7
66.45557	0.6
67.05507	5.0
67.37570	0.5
69.03418	2.6
69.07067	3.3
71.05014	1.0
71.59995	0.5
71.60399	0.9
72.30517	0.6
73.02925	2.8
79.05509	4.3
81.03419	2.5
81.07066	4.7
83.04982	0.8
83.08619	1.2
85.02911	4.0
91.03974	2.0
91.05486	2.6
93.07047	3.3
95.04991	1.3
95.08601	2.1
96.48948	0.5
97.02905	4.3
97.10191	2.0
99.04434	0.7
101.02385	1.4
102.06870	0.5
105.07044	1.1
107.05023	0.7
107.08600	1.8
109.06561	0.7
109.10160	1.5
117.07016	0.9
119.08603	1.6
121.10164	1.4
123.08079	1.0
125.09630	1.4
127.03872	0.8
131.08618	0.9
133.10159	1.3
135.11702	0.9
136.06224	0.9
145.10127	0.7
147.11757	0.8
159.11668	0.7
176.89082	0.6
185.04338	0.7
213.29318	0.6
223.13397	1.1
243.08412	4.0
291.19583	1.5
301.08878	0.6
331.18658	0.8
333.20285	0.8
351.21094	1.3
387.21078	0.7
413.17792	0.6
461.73874	0.6
549.26672	3.4
551.28284	1.7
567.27972	2.1
569.29449	5.0
877.49146	100.0
878.48901	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	874.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.3
65.03945	4.5
67.05505	97.6
69.03419	7.9
69.06722	4.6
69.07070	48.4
70.06594	3.6
71.04985	10.2
73.02920	2.7
77.82621	2.3
79.05070	4.3
79.05494	63.0
81.03421	12.6
81.07053	100.0
83.05001	12.7
83.08614	25.6
84.43995	2.6
85.02907	10.8
85.06554	3.8
89.34641	2.7
91.05479	56.9
93.06482	4.4
93.07040	63.2
95.04961	14.9
95.08599	45.6
97.02886	5.5
97.06533	23.8
97.10170	23.5
99.08128	2.6
105.07036	44.5
106.07357	2.7
107.04958	15.3
107.08597	50.5
109.06522	13.2
109.10154	54.7
111.08070	6.3
117.07033	24.7
119.08587	28.8
121.06499	6.3
121.10152	23.6
123.08062	6.9
123.11700	7.4
125.09606	19.2
127.03906	4.0
129.07013	7.5
131.08585	24.6
133.06525	4.6
133.10109	36.7
135.08040	8.1
135.11688	23.5
136.06187	18.2
137.09605	5.7
141.07001	3.7
143.08577	8.2
145.10120	30.3
147.08043	4.2
147.11676	23.5
149.09628	18.1
149.13254	19.8
151.11211	4.1
152.05676	2.9
155.08540	4.8
157.10097	7.6
159.11700	23.9
161.13255	8.1
163.11166	10.4
169.10201	2.8
171.11678	10.5
173.04434	3.8
173.11768	9.6
173.13289	12.9
175.11220	4.2
177.12762	4.1
179.14285	4.3
183.11674	7.5
185.13214	5.6
187.11247	3.2
189.11258	6.9
190.69804	2.7
195.13783	4.7
197.13255	5.2
215.14255	3.3
227.12823	23.2
229.14342	31.5
229.19484	4.4
239.17897	5.7
247.20389	5.9
255.15851	7.4
256.09171	3.0
257.18921	15.7
267.15939	4.3
269.17422	40.0
275.20050	75.1
285.09958	3.1
287.05032	3.1
293.21185	10.1
303.59488	2.7
331.22748	6.0
349.23724	70.2
367.03220	3.5
367.24670	15.6
409.26013	5.1
423.27301	16.7
433.30194	3.3
449.28799	10.1
451.31857	4.5
463.30457	27.7
503.33548	29.8
519.33148	3.2
525.35553	10.4
527.36420	3.2
529.35199	7.0
534.67853	2.8
543.36926	55.8
561.38000	16.8
567.31073	2.8
605.42395	3.0
607.35468	3.1
623.42853	25.0
636.66589	3.2
641.44421	18.6
687.41333	3.6
770.82129	3.2
773.16614	3.2
874.47711	4.9
875.46124	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	872.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	8.0
65.03938	9.6
67.05505	100.0
69.03427	12.0
69.07067	71.8
71.01333	2.8
71.04984	10.1
73.02918	3.8
79.05492	81.1
81.03405	12.6
81.07059	96.4
83.04983	13.5
83.08602	16.7
84.70892	2.2
85.02895	8.4
85.06548	4.1
91.05482	86.5
93.07042	79.0
95.04971	21.2
95.08058	3.6
95.08611	57.5
97.02902	11.1
97.06536	22.1
97.10144	12.2
97.23521	2.3
99.04424	3.8
103.05469	4.9
105.07036	62.3
106.07382	2.4
107.04955	9.5
107.08597	38.1
109.02818	3.1
109.06490	9.5
109.10168	29.8
111.08086	8.2
115.05444	6.0
117.07019	28.8
119.04977	2.7
119.08578	48.1
121.06496	7.2
121.10144	25.4
122.05010	2.2
123.08052	8.7
123.11719	3.0
125.09619	9.7
127.03907	5.8
128.06212	3.3
129.05473	4.5
129.07007	15.4
131.08566	37.4
133.10132	38.9
135.08047	6.5
135.11687	16.4
137.09595	9.8
141.06976	3.5
142.07759	3.1
143.08595	14.9
145.10121	26.9
147.08040	4.2
147.11668	23.1
149.09618	20.2
149.12111	2.2
149.13213	13.0
155.08545	7.3
157.10115	14.8
159.11659	21.9
161.09657	5.5
161.13243	15.1
163.11159	9.1
167.08614	2.9
169.10139	12.2
171.10298	3.3
171.11629	11.1
173.11748	5.8
173.13246	11.7
175.11263	3.2
177.12784	5.4
179.14212	5.1
181.10152	3.4
183.11731	9.2
185.13252	10.5
189.11215	5.0
195.11710	3.1
195.13834	3.1
196.87573	2.2
197.13277	7.2
199.14877	4.3
209.13261	6.0
211.14915	3.1
227.12750	5.6
229.14365	6.5
229.19608	2.8
239.17960	3.2
241.19542	3.9
253.14371	4.5
257.19028	8.1
259.20621	13.0
269.17410	6.8
273.18533	4.8
275.20120	27.0
281.17636	2.8
291.19528	10.6
315.23505	2.8
331.22818	4.1
333.24216	10.1
335.25821	8.2
349.23727	20.8
353.24640	2.7
381.42032	2.4
421.31046	4.4
513.35834	31.4
543.36865	4.1
593.66583	2.7
607.43121	7.1
625.45294	11.0
628.97925	2.8
873.43335	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.5
65.03960	4.0
67.05504	80.5
69.03422	10.8
69.07069	48.8
70.06580	1.6
71.01334	1.8
71.04995	6.8
71.61003	1.8
73.02922	2.9
74.89620	1.2
77.03871	1.6
79.05492	57.0
81.03415	13.3
81.07057	66.9
83.04980	11.1
83.08620	13.6
85.02918	8.8
85.06567	5.4
87.04473	12.7
91.03958	2.7
91.05482	56.6
93.07042	55.3
93.07624	2.8
95.04972	13.9
95.05461	1.4
95.08604	43.5
97.02888	7.0
97.06533	19.1
97.07062	1.7
97.10165	14.2
98.69319	1.4
99.04491	4.0
99.08131	3.8
105.07030	42.6
106.06582	3.1
107.04972	11.9
107.08592	39.4
107.09280	2.6
109.02894	2.0
109.06540	8.3
109.10155	25.3
109.10821	1.9
111.04467	1.5
111.08125	3.6
113.09684	1.4
115.08967	1.3
116.12713	1.3
117.07017	18.0
118.06573	9.0
119.08589	30.7
121.06543	5.1
121.10155	15.4
123.08109	4.7
123.11726	3.8
125.09622	11.3
125.53726	1.4
127.03994	3.1
128.06213	3.2
129.05556	3.3
129.06989	8.3
130.06583	1.7
130.07773	1.9
131.07368	4.6
131.08611	19.3
132.08136	4.1
133.06548	4.0
133.10120	23.1
133.62564	1.6
134.09660	1.9
135.08067	6.6
135.11690	11.2
137.09613	11.1
138.63481	1.4
139.07602	1.8
139.11211	1.7
141.07086	2.1
143.07663	1.5
143.08510	6.4
145.10100	17.0
145.11148	1.5
146.09697	5.7
147.08054	3.6
147.11691	10.5
149.09619	22.9
149.13283	8.1
151.11238	2.1
153.09119	2.4
154.07838	1.6
155.08582	4.0
157.08954	1.6
157.10094	7.3
159.11691	14.9
160.11287	4.2
161.09624	2.5
161.13277	8.1
163.11197	10.9
165.12846	1.9
168.16469	1.4
169.10161	4.4
171.11757	5.0
173.04585	2.3
173.11818	6.1
173.13361	6.0
175.11209	3.3
175.14836	1.6
177.12828	4.3
179.14401	5.6
183.11774	3.9
185.09656	1.7
185.13295	2.2
187.11240	2.7
189.11230	8.3
195.11931	1.8
195.13893	4.2
197.13210	3.5
201.12782	2.1
215.17917	2.1
227.12752	9.3
229.14319	7.7
229.19640	2.8
239.18118	3.4
244.20734	6.3
247.20683	2.9
253.18047	3.2
255.16055	5.2
257.19122	6.9
267.16040	2.5
269.17456	10.3
272.20090	55.1
275.20035	29.6
275.22641	2.1
290.21158	13.5
290.23999	1.7
291.19547	6.9
293.21133	4.2
313.21820	1.6
335.26099	2.6
346.23849	3.6
349.23734	31.4
358.24091	1.5
364.24979	4.9
365.23309	3.0
367.24747	2.3
376.24805	28.2
409.26392	1.9
423.27563	3.5
432.27875	1.9
445.29776	3.3
461.29312	1.6
472.94885	1.3
503.33395	2.1
527.37683	4.1
529.35693	4.2
543.37164	9.6
594.32703	1.9
623.43274	6.8
624.46240	1.7
710.49878	9.0
872.55267	100.0
873.55292	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	872.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.5
67.05508	100.0
69.03428	17.4
69.07071	53.9
70.06569	3.2
71.04990	13.2
71.60994	4.6
73.02930	5.5
79.05061	4.8
79.05495	74.1
81.03409	23.3
81.07059	91.2
83.01314	2.5
83.04982	17.9
83.08604	18.2
85.02903	10.6
85.06561	7.3
86.09711	3.0
91.05482	67.4
93.07047	71.5
95.04966	24.7
95.08604	47.1
97.02898	10.3
97.06532	46.2
97.10166	19.8
99.08088	4.8
103.56141	2.8
105.07040	54.2
107.04966	12.0
107.08596	41.9
109.02852	3.3
109.06496	17.5
109.10156	40.0
111.08086	10.3
113.06022	2.7
115.05434	3.1
115.07572	10.3
117.07025	29.0
119.08585	42.6
121.06501	13.6
121.10142	24.7
123.04510	3.2
123.08078	12.1
123.11699	6.7
125.09643	19.3
127.03924	5.2
129.06979	14.7
131.08560	30.5
133.06517	8.0
133.10130	36.3
135.08049	11.4
135.11713	12.0
137.09674	6.2
143.08574	11.6
145.06441	4.7
145.10118	28.6
147.08015	9.8
147.11726	16.4
149.09656	18.2
149.13240	13.1
151.11215	8.4
153.09056	3.2
155.08508	5.0
157.10152	14.7
157.93417	3.0
159.08093	4.3
159.11700	22.2
161.09691	7.4
161.13301	7.0
163.11201	10.4
165.09106	4.8
165.12753	3.2
169.10159	7.8
171.11732	10.2
173.04492	3.5
173.09747	3.2
173.11742	8.2
173.13297	7.7
175.11240	6.3
177.12769	8.4
179.14375	3.9
179.90680	2.8
181.10112	3.1
181.12242	4.9
183.11752	8.5
185.13197	3.9
187.11073	4.4
189.11255	11.5
189.12790	3.5
195.13853	9.3
199.14796	3.0
209.13380	2.9
211.14767	2.7
221.15288	3.5
223.13335	10.2
227.12749	24.0
227.17894	3.2
229.14323	20.9
237.16472	4.5
239.18127	2.9
245.19096	5.0
247.20824	3.6
253.14313	10.9
254.16139	3.0
255.15678	4.3
257.19043	7.0
267.15897	6.1
269.17459	36.2
273.18463	30.0
275.20081	36.8
291.19565	71.4
293.21170	5.2
307.18976	3.0
331.22925	3.6
347.22192	11.0
349.23767	25.5
365.23199	39.9
367.24765	10.9
439.27084	3.5
449.29529	3.7
461.29053	3.4
463.30750	4.8
519.33252	40.8
527.33386	2.9
541.35291	6.3
543.36798	9.5
545.35175	5.3
559.36243	43.9
560.36597	3.9
563.35669	2.7
577.37793	4.3
599.38977	3.7
639.42474	30.0
657.43396	11.7
854.50037	3.7
872.51160	4.0
873.45331	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	870.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.8
65.03934	1.8
67.05505	24.1
68.05843	0.5
69.03426	2.9
69.07069	8.6
70.06574	0.6
70.91199	1.1
70.91568	1.0
71.04994	2.6
73.02901	1.2
79.05494	14.3
81.03418	37.5
81.07056	32.4
82.07399	0.6
83.04990	4.9
83.08617	14.0
84.08120	0.5
85.02896	2.4
85.06526	1.8
87.04477	0.7
87.06728	0.6
91.03952	1.6
91.05483	15.8
93.07042	22.5
95.04965	12.1
95.08606	9.3
97.02885	3.8
97.06545	5.0
97.10152	1.8
99.04459	0.7
99.08086	1.1
105.07024	9.3
105.07693	0.8
107.04958	3.1
107.08595	12.9
109.02882	1.1
109.06516	2.4
109.10159	3.0
111.04482	0.6
111.08092	5.3
115.05405	0.7
117.07020	4.5
119.04938	2.8
119.08580	7.1
121.06497	3.2
121.10146	10.2
123.04414	1.0
123.08060	1.5
123.11699	1.6
125.09628	1.5
127.03905	1.7
129.07008	4.8
131.08577	7.4
133.06467	2.1
133.10139	6.1
135.08017	1.7
135.11687	2.4
137.05992	1.1
137.09607	0.8
142.07797	0.9
143.04584	1.1
143.05649	18.1
143.08568	0.6
144.05994	1.7
145.02858	1.4
145.04900	0.8
145.06497	0.6
145.10120	1.0
147.04417	2.2
147.08060	2.0
147.11685	4.7
149.09608	2.7
149.13261	13.4
151.07454	0.7
151.11177	0.6
155.08574	0.6
157.10123	6.1
159.11685	6.5
161.06091	0.7
163.11134	0.9
165.12704	0.9
167.07034	1.2
167.14380	0.9
171.08072	0.6
171.11772	0.8
175.03897	2.4
175.11232	4.5
177.05449	1.7
177.12737	3.2
193.12251	10.9
195.13811	4.4
205.12219	0.7
207.06526	4.3
208.06834	0.7
211.13278	1.5
249.14774	0.7
267.15918	37.0
268.16220	0.7
269.17477	45.0
271.05981	0.9
301.20041	0.7
309.16858	0.6
417.26373	1.0
435.27499	5.1
443.27979	1.8
453.28458	1.3
461.28983	100.0
462.29315	2.3
479.30002	4.4
493.32004	0.7
503.29977	3.2
511.32523	2.8
518.14905	0.6
527.29840	0.7
557.31610	0.8
569.31006	1.6
587.32166	1.1
605.33655	1.0
870.49500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	1.6
67.05501	6.9
69.03419	9.9
69.07061	3.4
69.39212	12.4
70.06587	2.6
71.04993	3.1
73.02921	1.8
73.06561	4.4
79.05484	3.5
80.20673	1.2
81.03415	11.5
81.07068	3.7
83.04974	1.5
85.02904	9.5
87.04440	1.2
91.05486	10.9
93.07057	4.6
94.06556	4.3
95.04977	4.7
95.08611	2.5
97.02895	5.6
97.06512	2.2
99.04445	3.0
101.06003	1.3
103.05462	2.3
105.07034	5.0
107.04945	3.4
107.08636	2.1
108.08102	6.4
109.02853	6.4
109.10145	2.7
110.06017	1.5
110.27715	1.5
111.04440	2.5
117.03355	1.8
119.04951	5.3
119.08559	2.9
120.08102	2.2
121.06493	1.4
121.10132	2.4
122.06037	17.2
123.04453	2.8
123.08098	2.0
126.22107	1.2
127.03923	8.0
130.82022	1.4
131.04915	2.6
133.06502	1.8
134.05997	3.4
135.04391	2.0
136.07576	10.3
137.05972	7.8
138.09102	2.1
139.03883	1.4
140.07089	3.9
143.05649	20.5
144.08049	1.9
145.02859	3.9
145.10138	2.5
146.06013	6.1
147.04408	6.7
148.07558	7.5
149.05914	2.5
149.09618	2.2
150.09109	1.9
151.03912	3.1
152.07069	2.6
153.05490	1.8
154.08609	1.4
161.05968	1.9
162.09154	1.4
163.03944	3.0
163.07564	1.7
164.07063	3.4
166.08688	2.1
167.07030	18.6
174.05421	3.1
174.09148	2.1
175.03871	6.7
177.05490	9.8
179.07161	1.8
181.08722	2.4
190.04953	2.1
200.60765	1.4
204.06624	1.7
207.06564	10.1
208.09709	3.4
210.11418	2.0
211.12314	1.9
222.11426	2.4
223.08682	4.2
223.12335	5.7
224.13110	2.3
225.10243	19.4
225.13855	4.6
226.11049	4.8
227.11818	5.2
232.09877	1.6
234.09241	1.5
235.08633	4.8
235.12274	3.0
236.09338	6.2
237.10272	14.4
237.13895	5.0
238.10962	11.6
239.11789	21.5
240.12491	7.3
241.09755	3.3
241.13380	5.7
243.11302	4.4
247.12247	1.4
248.09373	3.0
249.10239	12.5
250.10948	16.3
251.08266	5.1
251.11787	51.1
252.12544	10.0
253.09790	5.3
253.13370	16.9
254.14162	3.1
255.11189	1.8
256.54752	1.4
262.11096	2.1
263.07727	1.6
263.11761	31.7
264.12558	7.4
265.09799	13.5
265.13379	50.3
266.10608	4.9
266.14084	6.8
267.11401	8.4
267.14758	8.7
268.11935	4.6
269.12799	4.1
271.05942	1.5
274.11008	1.8
275.11838	2.5
277.09723	7.7
277.13391	4.3
278.10474	7.0
279.11270	40.5
279.14359	2.3
280.12030	8.5
280.22202	1.4
281.09933	2.3
281.12753	12.1
283.10849	8.4
283.13840	1.9
284.11426	2.3
285.12439	7.8
287.05545	8.5
289.13550	1.6
291.11252	9.4
292.12216	2.9
293.09540	2.1
293.12799	28.2
294.13519	3.1
295.10736	3.5
295.14438	12.1
296.11679	1.9
297.12350	11.8
298.13080	4.7
299.13873	6.0
303.04898	1.8
305.09268	1.6
305.12900	2.4
307.10812	3.1
309.12247	13.9
310.13095	4.7
311.13904	37.9
312.14636	3.7
313.15491	7.7
319.10660	6.3
319.14090	1.6
321.12317	15.2
323.13821	4.1
324.14767	1.6
325.11722	1.6
325.15305	2.8
335.13861	2.0
337.11899	5.6
338.12372	2.3
339.13376	13.6
340.14240	1.8
341.15109	4.4
343.14035	1.7
344.14011	2.7
345.14783	2.4
347.14020	2.3
349.15503	1.7
351.13312	5.5
352.14166	2.7
353.14926	12.5
354.15833	1.7
355.16528	3.6
358.15475	3.6
363.13101	2.2
368.13745	1.5
369.14676	9.0
370.15414	1.7
371.16010	21.5
372.16937	3.9
373.17896	1.3
381.14441	3.9
386.19009	1.6
393.14536	1.7
400.16299	4.2
402.18109	1.7
411.15570	3.9
413.17023	10.1
414.18164	5.0
416.19797	3.1
419.16122	1.7
423.15399	2.0
432.19113	5.6
435.15536	6.0
437.16934	6.6
440.15952	1.8
441.16501	6.7
442.17542	3.9
443.18362	3.6
447.15848	3.9
453.16501	4.7
454.17484	1.8
455.18066	12.9
459.17795	2.9
460.18600	5.1
463.15256	1.9
465.16501	8.2
467.18497	2.1
471.17865	4.1
473.19131	6.0
474.20419	8.5
479.18222	2.4
481.16135	9.5
482.16931	2.4
483.17783	15.2
492.21338	5.7
494.22760	2.4
495.17578	3.7
497.19257	9.6
499.16962	2.5
501.18906	6.3
513.18689	16.3
514.19238	3.7
515.20313	34.3
516.21362	2.3
533.21576	2.8
534.22296	14.7
540.21436	2.9
542.22870	3.1
558.22150	4.3
560.24194	1.8
568.20612	7.2
571.22748	1.9
573.24091	5.9
576.23468	3.3
586.21814	17.8
588.22809	5.1
594.23956	1.7
600.23376	35.0
601.24066	7.2
602.24445	5.4
603.25635	7.9
604.22913	14.8
605.26794	15.8
606.24078	4.6
618.24475	42.2
619.25214	19.6
620.25641	9.1
622.24152	5.5
624.25574	1.9
636.25531	100.0
637.26141	6.4
638.26160	5.3
654.26569	10.3
655.26892	3.8
663.27368	1.8
675.29773	3.7
676.29083	1.9
691.27386	2.3
694.29736	27.9
709.28784	15.1
712.30804	11.8
723.30188	21.5
726.32202	19.6
727.29840	4.3
741.31183	29.9
743.29773	2.7
745.30475	3.8
759.32050	5.6
777.33167	8.5
835.37061	2.9
867.30420	1.6
867.44611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.0
67.01866	0.9
67.05515	0.8
68.99785	7.2
69.00132	0.8
70.84303	1.2
77.03942	1.0
79.05482	1.2
81.03432	2.8
83.04977	1.2
85.02895	0.9
89.03918	1.3
91.05468	0.8
93.03402	1.2
95.04977	1.8
99.04446	1.3
103.05495	1.3
107.04951	5.1
109.02898	4.3
111.00806	6.3
111.04450	8.3
115.05452	1.2
116.79966	0.6
117.03379	1.8
117.07040	0.5
119.04939	1.6
121.02881	1.7
123.04428	51.4
127.03915	100.0
129.07019	1.1
131.04929	2.9
135.04413	49.1
137.02342	5.4
139.03900	46.7
139.05014	0.9
141.06989	2.0
143.04910	1.1
145.02802	1.2
145.06509	1.2
147.04402	7.0
149.02332	5.8
149.05968	2.5
151.03894	14.7
151.05110	0.7
153.07089	0.8
155.04932	1.8
159.04442	3.7
161.02344	1.9
161.05946	4.2
163.03908	52.2
165.05516	4.0
167.03445	5.5
169.05003	1.5
169.06522	2.2
171.04483	0.5
173.05974	4.6
175.03888	3.6
177.05467	5.8
179.03394	9.2
181.04913	1.2
181.06412	1.2
183.04422	2.1
185.06039	1.4
187.03912	8.1
187.07539	0.7
189.05513	2.3
191.03391	8.2
191.07007	1.0
193.05022	1.7
197.05939	4.5
199.03717	0.6
199.07581	0.6
199.44699	0.6
201.05460	8.8
203.03401	12.5
203.05229	1.0
203.07074	2.5
205.05008	2.2
207.02896	1.4
207.06458	1.3
211.04042	0.8
213.05525	3.7
215.03426	2.7
215.07025	3.4
217.04982	2.0
219.06374	0.8
220.27153	0.5
221.04436	1.3
223.02304	1.0
225.05492	2.6
227.03297	0.8
227.07021	1.1
229.04958	10.4
229.07059	0.9
231.02896	1.6
231.06520	2.7
233.04420	4.0
237.05498	1.2
241.04906	2.7
243.06505	5.6
245.04445	34.0
246.04962	0.6
246.38748	0.5
247.06015	49.7
253.05009	2.4
255.06479	2.9
257.04465	14.0
258.05200	1.8
259.06018	13.7
261.07553	2.5
263.05524	1.1
265.04984	1.2
267.06552	1.6
269.04443	5.3
270.05386	0.7
271.03076	1.5
271.06006	25.4
272.06561	1.1
273.07599	1.8
274.04880	1.2
275.05481	13.1
279.06570	0.8
281.04514	3.2
283.06021	7.8
285.03714	0.6
285.07452	1.3
287.05515	21.2
288.05740	0.7
289.03806	1.3
289.07059	26.9
291.05682	1.1
291.08652	13.5
291.11658	1.0
295.05939	3.0
297.03961	3.6
297.07495	1.7
299.05542	5.6
301.07071	14.7
303.05661	0.7
303.08701	3.7
307.05905	1.6
309.03979	2.6
311.05530	1.8
313.07162	2.7
321.03885	1.0
321.07413	1.0
323.05450	3.7
325.07135	0.7
329.06815	0.9
331.08109	1.6
333.10052	0.9
335.05630	1.1
337.07080	0.9
349.07050	1.4
351.05002	4.4
353.06409	0.7
363.09027	0.9
365.06396	3.4
367.08301	1.2
377.06482	1.9
379.08102	3.1
383.07596	7.8
389.06448	1.2
391.08136	2.1
393.05945	6.5
393.10431	0.8
395.07578	4.0
397.09387	2.7
405.05801	4.6
407.07635	9.7
408.08679	0.6
409.09186	24.4
410.09509	0.8
411.10791	2.8
417.05673	0.8
419.07623	2.8
421.09219	3.7
425.08572	5.7
427.10233	14.8
428.10156	0.8
433.09106	1.2
435.11014	1.3
437.08548	4.9
439.10382	2.6
449.08325	0.8
451.10388	3.5
453.11774	1.9
469.11127	0.8
517.11133	5.4
527.09863	4.0
535.12341	1.9
541.10858	0.8
545.10687	10.2
559.12140	0.8
571.12201	0.7
579.15039	3.0
679.14612	1.2
697.15771	4.5
715.15997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03616	0.4
65.03925	2.0
67.01868	0.9
67.05493	1.2
68.99783	9.7
69.03416	0.7
70.06564	0.5
70.85032	0.9
71.04964	0.5
77.03909	0.9
79.05493	1.5
81.03418	4.1
83.04974	1.2
85.02903	1.6
85.96031	0.4
89.03912	1.9
89.99548	0.4
91.05485	1.7
93.03384	0.8
95.04975	2.3
97.02857	0.7
99.04449	1.2
103.05451	1.3
104.89326	0.4
105.03389	0.8
107.04951	5.5
109.02865	3.5
111.00801	8.0
111.04445	8.9
113.81757	0.4
115.05450	1.4
117.03403	1.3
117.06998	0.5
119.04919	2.6
121.02867	1.9
121.06498	0.7
123.03716	1.2
123.04421	64.5
127.03910	100.0
128.04222	0.6
129.06999	0.6
131.04930	2.8
135.04410	58.3
136.04694	0.7
137.02336	4.6
137.05988	1.6
139.03894	47.4
140.04274	0.6
141.06982	1.3
143.04884	1.3
145.02846	1.2
145.06516	1.5
147.04405	8.5
149.02344	6.9
149.05942	2.4
151.02727	0.8
151.03899	13.3
153.01814	1.1
153.07010	1.0
155.03447	0.4
155.04887	1.6
157.06509	1.5
159.04411	4.6
161.02348	0.5
161.05978	4.4
163.03902	57.7
164.04514	0.8
165.01849	1.2
165.05463	5.5
167.03407	6.0
167.04752	0.8
169.04951	2.7
169.06474	2.5
171.04356	0.6
173.02409	0.5
173.05981	4.9
175.03888	3.4
175.07532	0.4
176.04620	0.4
177.05486	8.5
179.01846	0.7
179.03386	9.4
179.06865	0.5
179.85663	0.4
181.04924	1.7
181.06412	0.8
183.04456	2.7
185.05983	1.8
187.03880	8.8
187.07486	0.7
189.05449	3.4
190.02644	0.6
191.03392	10.6
191.06967	1.0
192.24849	0.4
193.04990	2.7
197.05984	4.9
198.06700	0.6
199.03923	0.8
201.05457	9.2
201.07173	0.7
203.03387	13.2
203.06946	3.0
205.04965	4.0
207.02869	0.9
207.06512	1.7
209.06027	0.5
211.03911	0.9
211.07491	0.8
213.05473	3.3
215.03458	3.4
215.07001	2.8
216.04245	0.5
217.04916	2.8
219.02979	0.5
219.06554	1.5
221.04390	1.0
223.02277	2.3
225.05489	2.9
227.03473	0.6
227.07072	0.8
229.04941	13.5
231.03014	1.0
231.06450	2.7
233.04434	4.5
235.02371	1.0
237.05446	1.7
239.07008	0.9
241.04961	3.3
242.05695	0.5
243.02832	1.1
243.04199	0.5
243.06499	5.9
244.03424	0.8
245.04442	69.5
246.04817	0.9
247.06009	49.7
249.05389	0.5
251.05504	1.3
253.04918	3.1
255.06453	3.9
257.04437	16.9
258.05154	1.7
259.06030	10.0
260.06531	0.7
261.07581	2.9
263.05457	1.6
265.04944	1.7
267.06503	0.8
269.04456	5.0
270.05203	0.7
271.06000	28.2
272.06387	0.6
273.03900	1.0
273.07565	1.7
274.04712	3.7
275.05453	23.7
279.06613	0.8
281.04446	2.4
283.06024	12.9
285.03888	2.5
285.07535	1.7
286.04605	1.0
287.05466	21.7
288.05887	0.7
289.07050	29.8
291.08640	14.0
293.04523	0.5
295.06030	2.7
297.03879	2.4
297.07562	1.4
299.05472	6.8
301.07059	11.8
303.05280	0.8
303.08591	2.1
307.06049	1.5
307.09491	0.5
309.03873	1.8
309.07312	0.7
311.05527	2.1
313.06992	2.5
317.07990	0.7
319.05920	0.8
321.07553	0.8
323.05460	2.7
327.04910	0.7
329.06290	0.7
331.08368	2.0
335.05344	0.7
337.07037	1.0
339.04697	0.6
345.07599	1.0
349.06976	1.1
351.04889	2.9
361.06992	1.9
363.04916	0.6
363.08871	0.8
365.06473	2.1
367.08139	0.9
375.04852	0.7
377.06516	1.4
379.08148	3.3
383.07593	2.9
389.06607	2.2
391.08194	2.5
393.05978	5.4
395.07822	2.3
396.08066	0.6
397.09161	7.9
401.06467	0.9
405.05969	4.8
407.07599	24.6
409.09161	26.5
411.10663	3.6
417.05905	1.0
419.07593	5.9
421.09286	3.1
425.08643	7.9
427.10239	12.1
431.07526	0.9
433.09262	2.6
435.11032	1.1
437.08688	8.2
439.10263	2.7
449.08652	2.7
451.10330	4.2
453.11526	1.3
517.11249	3.3
527.09735	2.9
529.10883	0.5
535.12048	1.6
541.11469	2.1
543.13080	0.5
545.10736	6.5
553.11096	1.1
557.10272	1.0
559.11688	1.4
561.13660	0.6
571.12024	1.4
577.13037	1.7
579.14844	5.2
589.13019	1.0
679.13898	1.8
697.15393	3.9
699.16608	0.6
715.16687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.4
67.05503	2.0
68.99789	7.2
69.03437	2.3
70.06586	1.4
70.66789	2.6
71.04972	0.9
77.03881	1.1
79.05499	1.3
81.03418	5.5
83.04987	1.3
84.08121	1.4
85.02914	3.6
89.03895	1.8
91.05483	4.7
93.03396	0.9
95.04975	3.7
95.08601	3.4
97.02901	1.9
98.97576	1.3
99.04486	1.1
103.05448	1.1
105.03378	1.4
107.04957	6.5
109.02882	4.3
111.00830	7.3
111.04459	10.7
115.05479	2.0
117.03374	3.0
117.07021	0.9
118.83227	0.8
119.04965	3.4
121.02874	2.6
121.10154	0.9
123.04434	60.8
123.08006	1.1
127.03921	100.0
129.07053	1.0
131.04958	3.7
134.99684	1.1
135.04420	57.2
137.02344	6.0
137.05994	1.8
139.03906	50.2
141.01849	0.9
143.05678	9.8
145.02795	4.0
147.04404	9.1
147.11702	1.0
149.02313	5.3
149.06006	2.1
149.09567	1.0
151.03906	15.8
153.01843	0.9
153.07039	0.9
155.04924	2.3
157.06546	1.3
159.04440	3.7
161.02373	1.3
161.05978	5.3
163.03912	58.6
165.01918	1.3
165.05519	4.6
167.03424	6.6
167.06999	0.9
169.04988	2.5
169.06349	2.0
173.05972	4.0
175.03967	5.1
175.07576	2.0
177.05461	11.6
179.03433	8.9
181.04996	1.9
181.06409	1.1
183.04437	2.4
185.05975	1.6
187.03868	8.6
189.05495	2.9
191.03412	10.6
193.04968	3.1
197.05957	5.3
199.03902	1.3
201.05482	9.4
203.03416	12.1
203.07050	3.3
205.05014	3.7
207.06488	4.1
207.13869	2.7
209.06029	1.0
212.19060	0.8
213.05476	3.7
215.03470	3.3
215.07065	3.8
217.05014	2.9
219.06473	1.1
223.02345	1.7
225.05431	1.5
227.06984	1.6
229.04999	11.4
231.06546	2.3
233.04398	4.7
237.02864	0.9
237.05330	1.1
241.04955	1.8
243.06483	6.4
245.04463	58.5
247.06020	50.2
253.05006	3.3
255.06564	3.7
257.04468	13.7
259.05994	10.2
261.07690	2.7
263.05539	1.6
267.06503	1.5
267.11288	1.0
269.04431	5.1
270.05173	1.3
271.06003	25.9
273.07477	1.7
274.04752	3.0
275.05496	19.8
281.04477	2.5
283.06003	12.8
285.04004	1.6
287.05505	21.2
289.03842	1.7
289.07053	30.6
291.08679	19.5
293.04453	1.0
295.06030	3.6
297.04236	1.9
297.07465	1.6
299.05457	6.2
301.07053	13.7
303.04944	1.1
309.04034	2.4
311.05548	1.9
313.07162	2.9
321.07462	1.4
321.24918	0.9
323.05508	1.9
331.08252	1.7
335.05557	1.1
337.07037	1.2
351.05066	2.9
361.07031	1.4
365.06750	2.0
377.06500	1.5
379.08160	2.4
383.07706	3.0
389.06528	1.9
391.08020	1.6
393.06284	5.7
395.07544	1.3
397.09314	4.4
405.05994	3.5
407.07620	20.2
409.09195	28.0
411.10571	5.1
419.07660	2.8
421.09259	3.3
425.08765	8.0
427.10303	13.9
433.09006	2.2
435.10995	1.1
437.08670	7.8
439.10406	2.0
449.08987	2.0
451.10144	4.3
453.11887	1.0
461.08817	1.0
480.21017	1.0
480.71695	0.9
517.11151	2.6
527.09808	4.4
528.84082	0.9
535.12390	1.9
541.10907	2.3
545.10974	5.3
557.11426	1.5
559.12604	1.8
571.12958	1.8
577.13177	1.4
579.14868	4.1
679.15216	1.3
697.15283	3.5
715.16095	1.8
867.25647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21062	0.9
65.03931	3.2
65.04231	0.9
67.05495	1.9
68.99787	11.1
69.00123	1.2
69.03432	1.4
69.61957	0.8
70.06619	1.1
77.03932	1.3
79.05510	2.1
81.03392	4.1
83.04979	3.5
85.02881	4.7
89.03915	2.3
91.05482	2.6
91.40163	0.8
93.03388	1.8
95.04951	5.2
97.02878	1.4
99.04449	1.7
103.05470	1.5
105.03371	1.4
106.39645	0.8
107.04939	9.6
109.02881	4.6
111.00809	9.4
111.04441	17.2
115.05457	2.1
115.42065	0.7
117.03374	3.7
119.04915	4.5
121.02873	3.8
123.04425	98.9
124.04753	0.9
127.03912	100.0
131.04919	4.7
135.04408	90.5
136.04755	1.0
137.02333	8.0
137.05965	2.4
139.03897	72.3
141.01854	1.0
141.06944	1.4
143.05745	4.3
145.02867	2.4
145.06476	2.8
147.04413	13.5
149.02319	9.3
149.05965	3.5
150.03136	1.3
151.03903	21.6
153.01891	1.0
153.05421	1.0
155.04874	1.7
157.06525	1.3
159.04425	6.6
161.02385	1.3
161.05959	6.6
163.03899	81.1
165.01784	1.1
165.05490	6.7
165.06842	1.4
167.03427	7.2
169.04961	7.3
169.06487	2.9
173.02357	0.9
173.06003	7.6
175.03893	6.8
177.05479	10.5
179.03395	12.6
181.04999	2.2
181.06557	3.0
183.04437	3.3
185.05963	3.3
187.03876	11.9
187.07533	2.0
189.01881	1.2
189.05489	5.7
191.03384	12.8
193.05019	3.9
197.05949	6.2
199.03957	1.3
199.07501	1.3
201.05460	11.0
203.03389	16.2
203.07022	2.3
205.04982	3.2
207.02858	1.0
207.06541	2.8
213.05463	6.2
215.03403	6.2
215.06871	4.1
217.05025	3.5
219.06528	1.2
221.04364	1.4
223.02315	5.3
225.05502	3.3
226.06168	1.0
227.03459	1.5
227.07095	1.7
229.04950	13.6
231.02817	1.0
231.06563	3.4
233.04486	5.0
235.02356	1.8
237.05519	1.4
239.06888	1.7
241.04939	5.3
242.05791	1.2
243.03029	1.1
243.06439	6.7
244.03874	1.2
245.04445	78.1
246.04846	1.0
247.06027	54.6
248.06343	1.2
251.05461	1.2
253.05020	4.4
255.06566	3.9
257.04437	25.8
257.07074	1.7
258.05209	3.0
259.06003	14.6
260.06738	1.8
261.07587	3.8
263.05579	1.3
265.04861	2.4
267.06528	2.2
269.04449	6.4
270.04950	1.1
271.05997	38.9
273.04031	1.5
273.07544	1.6
274.04749	2.0
275.05469	20.2
279.06699	1.0
281.04474	3.2
283.05966	13.9
285.04028	2.4
285.07623	2.2
287.05475	22.0
289.07056	46.6
291.05725	1.2
291.08646	17.0
293.08035	1.1
295.06024	6.2
297.03891	2.2
297.07422	1.0
299.05530	9.2
301.07059	19.0
303.05334	1.6
303.08707	3.1
305.04529	1.3
307.06058	2.5
309.04013	2.0
309.07349	1.3
311.05466	4.4
313.07071	5.8
317.06769	1.2
323.05505	3.5
325.06952	1.4
329.06433	1.9
331.08130	5.1
333.07452	1.8
341.06335	1.0
345.07117	1.3
349.07007	2.0
351.05042	2.9
361.07034	2.6
363.04666	1.1
363.08682	1.7
365.06445	1.9
377.06412	1.6
379.08069	7.0
381.10074	1.3
383.07703	3.2
389.06485	3.4
391.08109	3.4
393.05795	6.0
395.07428	2.7
397.04535	1.1
397.09009	5.4
401.06628	1.2
403.08228	1.2
405.05667	5.2
407.07596	26.6
409.09149	37.2
411.10669	4.1
419.07666	5.3
421.09302	5.1
425.08691	13.6
427.10257	17.4
431.07495	1.6
433.09204	6.1
437.08554	10.1
439.10275	2.8
449.08484	2.6
451.10217	11.9
453.11792	1.6
469.11325	2.2
517.11218	2.2
527.09827	3.9
529.10999	2.3
535.12018	1.7
541.10931	2.2
543.12109	1.0
545.10718	9.3
553.11041	1.8
557.10944	1.5
559.11884	2.4
571.12158	4.2
577.13324	3.0
579.15149	6.8
589.12964	1.3
621.16351	1.0
621.28943	1.1
660.28210	0.9
679.14026	1.9
697.15027	3.6
800.59406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.21062	0.9
65.03931	3.2
65.04231	0.9
67.05495	1.9
68.99787	11.1
69.00123	1.2
69.03432	1.4
69.61957	0.8
70.06619	1.1
77.03932	1.3
79.05510	2.1
81.03392	4.1
83.04979	3.5
85.02881	4.7
89.03915	2.3
91.05482	2.6
91.40163	0.8
93.03388	1.8
95.04951	5.2
97.02878	1.4
99.04449	1.7
103.05470	1.5
105.03371	1.4
106.39645	0.8
107.04939	9.6
109.02881	4.6
111.00809	9.4
111.04441	17.2
115.05457	2.1
115.42065	0.7
117.03374	3.7
119.04915	4.5
121.02873	3.8
123.04425	98.9
124.04753	0.9
127.03912	100.0
131.04919	4.7
135.04408	90.5
136.04755	1.0
137.02333	8.0
137.05965	2.4
139.03897	72.3
141.01854	1.0
141.06944	1.4
143.05745	4.3
145.02867	2.4
145.06476	2.8
147.04413	13.5
149.02319	9.3
149.05965	3.5
150.03136	1.3
151.03903	21.6
153.01891	1.0
153.05421	1.0
155.04874	1.7
157.06525	1.3
159.04425	6.6
161.02385	1.3
161.05959	6.6
163.03899	81.1
165.01784	1.1
165.05490	6.7
165.06842	1.4
167.03427	7.2
169.04961	7.3
169.06487	2.9
173.02357	0.9
173.06003	7.6
175.03893	6.8
177.05479	10.5
179.03395	12.6
181.04999	2.2
181.06557	3.0
183.04437	3.3
185.05963	3.3
187.03876	11.9
187.07533	2.0
189.01881	1.2
189.05489	5.7
191.03384	12.8
193.05019	3.9
197.05949	6.2
199.03957	1.3
199.07501	1.3
201.05460	11.0
203.03389	16.2
203.07022	2.3
205.04982	3.2
207.02858	1.0
207.06541	2.8
213.05463	6.2
215.03403	6.2
215.06871	4.1
217.05025	3.5
219.06528	1.2
221.04364	1.4
223.02315	5.3
225.05502	3.3
226.06168	1.0
227.03459	1.5
227.07095	1.7
229.04950	13.6
231.02817	1.0
231.06563	3.4
233.04486	5.0
235.02356	1.8
237.05519	1.4
239.06888	1.7
241.04939	5.3
242.05791	1.2
243.03029	1.1
243.06439	6.7
244.03874	1.2
245.04445	78.1
246.04846	1.0
247.06027	54.6
248.06343	1.2
251.05461	1.2
253.05020	4.4
255.06566	3.9
257.04437	25.8
257.07074	1.7
258.05209	3.0
259.06003	14.6
260.06738	1.8
261.07587	3.8
263.05579	1.3
265.04861	2.4
267.06528	2.2
269.04449	6.4
270.04950	1.1
271.05997	38.9
273.04031	1.5
273.07544	1.6
274.04749	2.0
275.05469	20.2
279.06699	1.0
281.04474	3.2
283.05966	13.9
285.04028	2.4
285.07623	2.2
287.05475	22.0
289.07056	46.6
291.05725	1.2
291.08646	17.0
293.08035	1.1
295.06024	6.2
297.03891	2.2
297.07422	1.0
299.05530	9.2
301.07059	19.0
303.05334	1.6
303.08707	3.1
305.04529	1.3
307.06058	2.5
309.04013	2.0
309.07349	1.3
311.05466	4.4
313.07071	5.8
317.06769	1.2
323.05505	3.5
325.06952	1.4
329.06433	1.9
331.08130	5.1
333.07452	1.8
341.06335	1.0
345.07117	1.3
349.07007	2.0
351.05042	2.9
361.07034	2.6
363.04666	1.1
363.08682	1.7
365.06445	1.9
377.06412	1.6
379.08069	7.0
381.10074	1.3
383.07703	3.2
389.06485	3.4
391.08109	3.4
393.05795	6.0
395.07428	2.7
397.04535	1.1
397.09009	5.4
401.06628	1.2
403.08228	1.2
405.05667	5.2
407.07596	26.6
409.09149	37.2
411.10669	4.1
419.07666	5.3
421.09302	5.1
425.08691	13.6
427.10257	17.4
431.07495	1.6
433.09204	6.1
437.08554	10.1
439.10275	2.8
449.08484	2.6
451.10217	11.9
453.11792	1.6
469.11325	2.2
517.11218	2.2
527.09827	3.9
529.10999	2.3
535.12018	1.7
541.10931	2.2
543.12109	1.0
545.10718	9.3
553.11041	1.8
557.10944	1.5
559.11884	2.4
571.12158	4.2
577.13324	3.0
579.15149	6.8
589.12964	1.3
621.16351	1.0
621.28943	1.1
660.28210	0.9
679.14026	1.9
697.15027	3.6
800.59406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28593	4.4
61.02934	10.1
65.03934	7.7
67.05502	92.2
69.03426	42.3
69.07067	19.2
71.05006	8.7
71.60685	9.7
72.38261	5.1
73.02917	7.3
77.06596	4.8
78.39429	4.9
79.05496	88.5
80.30308	5.5
81.03432	46.0
81.07058	88.3
83.04988	17.0
83.08621	11.7
85.02900	27.4
91.05481	78.6
93.07046	95.2
95.04956	32.5
95.08618	56.3
97.02886	33.3
97.06546	8.5
99.04470	12.3
105.07049	47.5
107.04944	14.9
107.08609	36.1
109.02889	9.2
109.10158	20.0
117.07024	25.4
119.08577	34.0
121.06501	7.6
121.10125	26.1
123.04461	6.3
123.08118	7.2
127.03903	19.6
129.07011	23.5
131.08597	25.2
133.06511	6.1
133.10127	25.3
135.11734	12.3
143.08545	11.8
145.06506	8.7
145.10167	14.2
147.11687	15.8
157.10120	9.9
161.13280	12.8
171.11691	20.6
173.04460	13.8
173.13254	9.2
189.12733	8.8
207.13820	16.8
223.14821	6.7
226.84264	5.6
259.20584	6.4
261.22183	12.3
281.17462	34.3
287.16452	8.6
335.25861	100.0
364.14639	10.7
377.05026	5.7
541.38855	83.7
583.39056	5.6
608.23309	5.2
621.41840	9.8
833.17426	6.3
846.66968	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	861.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77682	0.7
61.02855	4.9
63.21167	0.8
67.05424	6.9
69.03352	3.7
69.06993	4.7
69.86110	0.7
71.04937	0.9
71.59991	0.7
71.60455	0.8
73.02910	4.3
79.05405	7.5
81.03331	2.9
81.06974	6.1
83.04918	1.8
83.08549	1.2
85.02910	6.5
91.03954	4.0
91.05488	5.2
93.06952	5.3
95.04898	2.1
95.08611	4.2
97.02890	5.3
97.06473	1.2
97.10103	1.1
99.04412	1.3
101.02275	2.6
105.07018	3.3
107.04880	0.8
107.08508	2.1
109.02754	1.2
109.06435	1.1
109.10108	1.9
112.01767	0.7
113.82693	0.7
117.06940	1.9
119.08488	2.9
121.10120	1.1
123.18589	0.7
125.09599	1.0
127.03844	1.1
129.06914	1.8
131.08466	1.4
133.10049	1.5
135.11652	0.8
143.08495	0.9
145.10062	1.6
147.11597	3.1
161.13139	1.0
171.11603	1.3
185.04211	1.6
202.78891	0.8
203.05136	1.1
243.08365	4.6
247.12920	1.3
275.59283	0.7
299.84024	0.9
301.08856	1.3
303.15814	0.8
333.20288	4.1
373.23495	0.9
385.18250	1.0
391.49960	0.7
439.19000	1.2
453.21054	1.5
465.20990	13.9
525.22986	2.7
533.27087	1.7
535.28857	2.8
551.28418	14.3
594.30914	0.9
609.32300	1.1
613.37451	1.1
641.36194	0.9
679.79059	0.8
695.39581	1.6
705.34918	3.0
723.35742	1.2
745.41217	1.1
747.44122	0.8
763.42719	5.1
775.42383	100.0
776.42773	3.9
815.45007	0.8
829.43494	0.8
843.48596	10.2
861.49017	55.8
862.50055	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77682	0.7
61.02855	4.9
63.21167	0.8
67.05424	6.9
69.03352	3.7
69.06993	4.7
69.86110	0.7
71.04937	0.9
71.59991	0.7
71.60455	0.8
73.02910	4.3
79.05405	7.5
81.03331	2.9
81.06974	6.1
83.04918	1.8
83.08549	1.2
85.02910	6.5
91.03954	4.0
91.05488	5.2
93.06952	5.3
95.04898	2.1
95.08611	4.2
97.02890	5.3
97.06473	1.2
97.10103	1.1
99.04412	1.3
101.02275	2.6
105.07018	3.3
107.04880	0.8
107.08508	2.1
109.02754	1.2
109.06435	1.1
109.10108	1.9
112.01767	0.7
113.82693	0.7
117.06940	1.9
119.08488	2.9
121.10120	1.1
123.18589	0.7
125.09599	1.0
127.03844	1.1
129.06914	1.8
131.08466	1.4
133.10049	1.5
135.11652	0.8
143.08495	0.9
145.10062	1.6
147.11597	3.1
161.13139	1.0
171.11603	1.3
185.04211	1.6
202.78891	0.8
203.05136	1.1
243.08365	4.6
247.12920	1.3
275.59283	0.7
299.84024	0.9
301.08856	1.3
303.15814	0.8
333.20288	4.1
373.23495	0.9
385.18250	1.0
391.49960	0.7
439.19000	1.2
453.21054	1.5
465.20990	13.9
525.22986	2.7
533.27087	1.7
535.28857	2.8
551.28418	14.3
594.30914	0.9
609.32300	1.1
613.37451	1.1
641.36194	0.9
679.79059	0.8
695.39581	1.6
705.34918	3.0
723.35742	1.2
745.41217	1.1
747.44122	0.8
763.42719	5.1
775.42383	100.0
776.42773	3.9
815.45007	0.8
829.43494	0.8
843.48596	10.2
861.49017	55.8
862.50055	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	3.2
62.40978	0.3
65.03949	0.3
67.05499	4.2
68.29048	0.2
69.03429	2.8
69.07065	3.7
69.87708	0.8
69.88102	0.5
71.04997	0.8
73.02922	3.2
73.33889	0.3
77.03966	0.3
79.05492	4.3
81.03403	1.7
81.07055	6.0
81.07520	0.4
81.24105	0.2
82.65351	0.2
83.04986	0.9
83.08623	0.8
85.02901	3.6
87.04488	0.3
91.03949	2.2
91.05474	3.6
93.07040	3.8
95.04973	1.8
95.08603	3.0
97.02888	3.8
97.06545	0.8
97.10181	0.9
99.04461	0.8
101.02380	1.3
103.03929	0.3
105.07048	2.8
107.04947	0.5
107.08600	1.9
107.16298	0.3
109.02900	0.8
109.06503	0.6
109.10152	1.3
109.80576	0.2
116.07016	0.3
117.07037	1.0
119.08574	2.0
121.10160	1.3
123.08102	0.8
125.09641	0.3
127.03952	1.0
128.76706	0.2
129.05493	0.3
129.07062	0.4
131.08601	1.0
133.10159	1.1
135.11734	1.1
136.06177	5.0
136.07185	0.3
137.06633	0.6
145.10168	1.1
147.11714	1.0
149.09636	0.3
149.13252	0.4
149.50891	0.3
151.11208	0.3
157.10121	0.4
159.11728	0.7
161.13358	0.3
163.11212	0.3
185.04298	0.8
203.05374	0.7
243.08372	3.5
243.10361	0.3
259.07980	0.3
267.15698	0.3
333.20355	3.7
335.26111	0.3
389.22980	0.7
439.19376	1.7
453.20966	1.7
469.20712	0.5
551.19684	0.6
551.28265	12.4
552.28497	0.3
699.44843	0.6
763.42767	0.4
861.49615	100.0
862.49786	5.6
862.64807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.1
67.05509	4.6
69.03426	2.9
69.07080	1.9
70.00848	0.4
71.04992	1.0
73.02925	3.2
79.05500	4.4
81.03421	2.1
81.07059	4.3
81.19042	0.4
83.05005	0.6
83.08610	0.5
85.02906	4.1
89.06007	0.4
91.03960	2.1
91.05481	6.0
93.07050	4.8
95.04987	1.4
95.08611	2.7
96.62458	0.4
97.02897	3.6
97.06564	0.6
99.04486	1.1
101.02419	1.4
103.44798	0.3
105.07040	4.2
107.08605	2.4
109.02900	0.8
109.06540	0.5
109.10175	1.0
117.07034	1.3
119.08600	3.0
121.10158	1.5
123.08096	0.6
127.03908	0.9
129.07033	1.3
131.08589	1.6
133.10155	1.2
135.11697	0.6
136.06216	0.6
137.04590	1.0
143.08543	1.0
145.10138	1.4
147.11707	0.8
157.10187	0.8
159.11752	0.8
171.11784	0.6
173.13377	0.5
185.04359	0.4
243.08305	2.4
247.13016	0.9
333.20297	4.3
389.23245	1.3
407.20816	0.4
465.20853	6.6
508.72079	0.4
551.28180	11.2
551.36334	0.7
681.42883	0.6
699.45142	0.8
775.42365	2.8
861.49646	100.0
862.50378	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	859.4815
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02932	2.8
67.05508	6.7
69.03424	2.8
69.07074	2.9
73.02915	2.1
79.05488	3.6
81.03410	2.0
81.07047	4.4
83.08615	0.8
85.02908	3.2
91.03977	1.6
91.05460	4.5
93.07038	4.5
95.04964	1.7
95.08617	2.3
97.02876	3.5
98.62595	0.8
101.02414	1.1
105.07015	3.0
107.08588	3.0
109.06506	0.9
109.10166	1.0
117.07054	1.8
119.08599	2.6
121.10155	1.4
123.11728	0.6
125.09634	0.8
127.03895	0.7
129.06972	1.0
131.08551	1.6
133.10138	2.1
135.08073	0.8
135.11685	0.7
143.08543	1.0
145.10144	1.6
147.11742	0.7
149.09637	0.7
151.41277	0.6
157.10193	0.7
159.11740	1.1
161.09700	0.8
181.45952	0.6
195.76427	0.6
243.08472	3.0
331.18893	3.5
389.22931	0.8
413.18063	1.1
439.19281	0.9
453.21368	0.8
549.26788	6.6
551.28497	6.5
692.89972	0.7
762.84845	0.7
849.89038	0.8
859.48047	100.0
860.48480	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4807
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02928	3.5
65.03953	0.3
67.05508	5.2
69.03422	2.9
69.07061	3.5
69.36868	3.0
71.01358	0.5
71.04990	0.8
73.02920	3.0
79.05499	3.8
81.03420	2.0
81.07056	4.8
82.16124	0.3
83.04987	0.6
83.08628	1.5
85.02900	4.0
91.03968	1.5
91.05476	3.2
93.07036	3.1
95.04981	1.6
95.08603	2.2
97.02897	3.2
97.06535	0.6
97.10179	1.4
99.04488	0.9
101.02366	1.7
105.07031	1.8
107.04976	0.7
107.08607	1.9
109.02888	0.8
109.06544	0.9
109.10132	1.1
115.03977	0.4
117.07054	1.1
119.08546	1.7
121.10143	1.0
123.08048	0.5
125.09645	1.0
127.03978	1.2
131.08586	1.1
133.10159	1.0
135.11684	1.0
145.10161	0.7
147.11691	0.8
159.11742	0.4
163.11212	0.4
175.11346	0.4
185.04221	0.9
189.11331	0.4
198.98532	0.4
223.13382	1.4
230.15526	0.5
243.08443	3.7
251.66658	0.3
273.18594	0.4
291.19656	1.3
301.09073	0.7
301.17749	0.4
313.09024	0.6
331.18826	1.1
333.20413	1.7
344.22275	0.8
387.21606	0.7
400.29041	0.3
421.25888	0.4
439.19577	0.5
446.33081	0.4
453.20926	0.6
535.28961	0.7
549.26733	6.2
551.28241	5.6
595.31213	0.4
697.48511	0.6
761.40979	1.2
773.41534	0.5
813.44159	2.8
841.47351	0.6
859.48083	100.0
860.48383	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	Unknow
Peak:m/z	Relative Intensity
60.53207	0.2
61.02934	3.2
62.00267	0.2
63.91759	0.2
65.03915	0.3
66.27276	0.2
67.05505	5.1
69.03435	3.0
69.07069	3.5
71.01341	0.3
71.04990	0.4
71.60361	0.4
73.02922	2.8
79.05494	5.2
81.03418	1.6
81.07059	5.6
83.04989	0.9
83.08626	1.0
85.02908	3.5
85.06560	0.4
87.04485	0.3
87.33623	0.2
91.03953	2.0
91.05476	3.8
91.05989	0.3
93.07046	3.8
93.07566	0.4
94.74127	0.2
95.04980	1.4
95.08607	2.2
97.02890	3.9
97.06558	0.7
97.10165	1.5
99.04486	0.7
99.08064	0.4
101.02367	1.2
105.07037	2.4
107.04970	0.7
107.08604	2.1
109.02875	0.5
109.06544	0.6
109.10130	1.4
115.03943	0.3
117.07039	1.1
119.08611	1.5
121.06531	0.4
121.10175	1.3
123.08095	0.4
123.11671	0.3
125.09641	1.0
127.03947	0.9
129.07030	0.3
131.08607	1.2
133.10156	2.0
135.08061	0.3
135.11736	1.0
143.08621	0.2
145.10167	1.1
147.11728	0.7
149.13211	0.3
151.11188	0.3
159.11737	0.6
171.11751	0.3
184.71683	0.3
185.04259	0.8
206.12621	0.3
223.13426	0.9
227.20036	0.6
228.20358	0.3
229.14465	0.3
243.08392	3.8
259.08032	0.2
265.38879	0.3
273.18591	0.3
277.66833	0.2
291.19611	1.2
295.70367	0.3
301.09097	0.4
331.18924	1.4
333.20511	0.9
335.25821	0.5
344.22403	1.0
345.22781	0.9
362.23523	0.3
363.23297	0.3
387.21277	0.5
437.27255	0.3
439.19461	1.1
453.21228	1.0
517.39093	0.6
549.26813	5.6
551.28308	6.0
552.28998	0.3
696.48938	0.3
697.49188	1.5
761.40594	0.7
777.39447	0.3
859.48096	100.0
860.48413	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	858.377
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66948	0.6
67.01873	1.0
68.05009	1.4
69.03431	1.1
69.07073	2.0
70.06594	100.0
71.06947	0.8
71.60489	0.7
75.34393	0.6
76.64999	0.6
76.85648	0.6
77.15971	0.6
81.03411	1.3
85.02911	1.9
86.09708	8.9
86.10181	0.9
91.05496	1.2
95.01340	1.2
101.03528	0.9
105.06992	0.7
109.02903	0.8
116.07137	0.7
125.07137	1.6
137.05959	1.3
141.06573	3.2
141.10265	2.7
143.05663	7.1
147.04463	2.1
153.06659	0.8
157.09785	3.0
167.07037	1.6
175.03928	1.7
177.05482	1.1
178.41382	0.7
183.14986	2.7
187.10789	1.3
202.07874	0.7
205.06528	0.8
206.07251	0.9
207.06528	1.6
207.08125	2.6
209.12999	1.0
218.07339	1.1
219.08093	3.1
221.06081	3.8
221.09651	0.7
223.07655	2.1
229.15475	39.9
231.08105	2.3
233.09616	0.9
234.06960	1.2
235.07573	10.4
237.05521	1.3
240.09167	0.7
243.08267	1.0
245.06032	0.8
245.09677	2.5
247.07608	6.7
249.09491	0.8
255.08064	2.2
258.06726	0.9
259.07657	2.4
260.07666	0.7
261.05536	2.6
261.09198	2.6
262.06302	1.0
262.08868	1.1
263.07086	3.8
266.15091	2.8
271.07590	3.8
273.05682	1.1
273.09183	5.3
274.06274	2.1
275.06952	3.5
276.06607	0.8
276.73245	0.6
277.08722	0.9
278.08209	3.1
280.09766	2.2
285.05756	1.1
285.09222	1.9
286.06320	0.8
287.07071	2.5
289.08600	3.7
290.08240	1.8
291.06613	2.1
293.08292	1.3
294.14532	3.4
299.07043	1.6
301.08585	3.4
302.08676	0.9
303.06671	5.2
303.10004	1.3
304.06445	0.9
304.09671	1.3
305.08151	4.4
311.06982	1.4
313.08636	1.4
315.06686	2.3
316.07123	1.6
316.10233	0.9
317.08026	4.7
319.09686	2.1
321.07730	2.0
327.06400	5.4
328.10123	1.0
329.08041	7.3
330.08096	1.2
331.09738	1.6
333.07574	0.9
335.09222	5.2
336.09103	1.0
344.09198	5.5
345.07538	17.2
346.11072	1.2
347.09113	4.0
348.08646	1.4
356.09171	1.4
357.07538	8.8
358.10602	1.2
359.09286	2.2
362.10437	1.2
368.11398	1.7
372.08691	14.6
374.10269	3.4
375.08685	7.4
379.23526	2.4
380.11301	1.0
384.08484	0.7
390.09726	18.6
391.16602	1.6
392.11252	3.2
393.09674	1.6
398.12369	3.1
400.08405	1.5
402.09894	2.6
407.22937	0.9
408.10754	6.4
420.10876	11.2
420.16147	1.2
425.24197	1.4
438.11819	8.3
456.13025	2.7
462.16501	1.5
473.17505	0.7
485.17081	6.0
487.14798	3.9
505.16098	1.6
512.18152	1.2
513.16626	11.5
517.16254	1.2
528.17755	3.3
530.19690	1.6
531.17578	0.8
532.20789	1.1
535.17981	0.9
548.20258	1.4
553.18457	5.0
558.18744	7.8
558.26556	0.8
571.19330	1.0
576.19745	19.0
577.20856	0.7
594.20868	1.9
612.22235	2.8
618.24695	2.8
630.23395	3.5
636.25586	1.5
643.23566	1.2
645.25659	0.9
648.25970	3.1
666.26581	5.7
673.25055	1.6
684.27637	18.4
684.39368	1.0
725.92834	0.8
727.28424	0.9
774.33588	1.5
786.33069	2.1
804.34747	3.6
822.34998	2.8
840.36646	5.8
858.37000	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	857.4653
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02914	4.1
67.05502	6.3
69.03429	3.6
69.07072	3.8
71.05017	0.9
71.60714	1.0
73.02916	2.4
79.05491	4.0
79.29356	0.8
81.03423	3.0
81.07063	4.4
83.04994	1.5
83.08621	1.2
85.02914	4.2
91.03974	2.5
91.05473	4.2
93.07037	3.7
95.05005	1.6
95.08626	2.8
95.88355	0.7
97.02914	3.8
97.10151	1.2
101.02409	1.9
105.07006	3.1
107.04978	1.5
107.08614	2.6
109.06519	2.0
109.10171	2.6
117.07036	0.9
119.08592	1.5
123.06804	0.7
125.09640	1.3
127.03917	1.1
129.05457	0.6
129.07048	1.1
131.08565	1.4
133.10150	1.0
133.58310	0.7
145.10185	1.3
147.11713	0.9
161.09669	0.9
185.04265	0.9
193.12247	0.8
207.46465	0.6
223.13242	1.1
243.08443	3.5
273.18558	1.2
291.19601	1.3
313.17850	1.4
331.18753	3.4
335.25885	0.9
335.70856	0.7
387.21674	0.8
400.15701	0.8
531.25818	2.1
533.23621	0.7
549.26740	15.3
549.35211	0.8
621.28827	0.9
759.39233	2.7
771.55463	0.7
839.45703	8.7
857.46527	100.0
858.46960	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	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.2
63.00403	2.2
65.03929	3.7
67.05505	100.0
67.30048	2.3
69.03429	4.4
69.07067	19.6
71.01360	3.6
71.04990	3.8
72.65891	2.0
73.02897	2.7
77.03937	2.6
78.29826	2.2
79.05492	43.9
81.03409	12.0
81.07063	59.9
83.04977	10.9
83.08624	19.3
85.02907	15.6
85.06522	4.2
87.04482	6.2
91.05477	24.8
93.07046	41.1
95.04974	10.7
95.08609	42.5
97.02917	7.0
97.06541	6.2
97.10180	15.8
98.21635	5.2
99.08106	3.4
102.59450	2.6
105.07029	16.8
107.08590	27.3
109.06512	3.7
109.10164	63.4
111.08072	4.7
117.07024	4.6
119.08596	14.9
121.10131	16.7
123.08052	2.9
123.11672	3.6
125.09604	16.0
129.05490	2.8
130.38293	2.5
131.08571	16.4
133.10144	10.3
135.11676	10.1
137.09636	3.6
143.10672	3.2
145.10104	10.4
147.11658	7.7
149.13284	4.0
155.10745	2.8
159.11674	5.5
161.13271	5.5
163.11198	8.9
163.14946	3.0
168.56540	2.3
173.11746	17.3
173.13298	6.4
181.12308	3.3
187.14998	2.8
191.10770	3.9
193.12364	3.2
199.13330	6.9
209.11812	7.9
227.12854	7.1
229.14339	43.9
243.21115	4.0
261.22128	14.3
267.15829	3.1
301.16537	15.2
317.24625	3.7
335.25836	81.0
399.23639	13.2
475.48236	2.9
477.35587	8.0
489.35703	20.5
561.37616	5.7
659.45221	17.5
684.14813	2.9
795.97363	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05677	1.4
61.02930	3.7
62.40321	1.2
65.03941	8.3
67.05506	87.5
69.03429	14.8
69.07070	49.8
69.55895	4.6
69.56325	5.9
71.01354	1.9
71.04984	7.4
72.21336	1.3
74.83620	1.2
75.30618	1.5
79.05493	81.2
81.03424	18.2
81.07059	100.0
83.04982	16.0
83.08616	25.4
83.57116	1.3
85.02922	7.8
85.03371	1.4
85.06554	4.8
91.05481	66.5
92.75944	1.5
93.07044	77.5
95.04977	19.6
95.08611	47.3
97.02889	4.6
97.06529	21.0
97.10170	26.5
99.04438	2.2
99.08086	4.2
103.05509	2.7
105.04557	1.8
105.07038	64.3
107.04971	15.8
107.07872	3.2
107.08594	61.2
109.02884	2.9
109.06528	10.9
109.10157	21.0
111.04411	1.9
111.08088	5.3
113.09653	2.2
115.05466	3.7
116.06232	1.7
117.07021	29.4
119.08578	43.2
121.06503	7.3
121.10141	26.8
121.10941	2.5
123.04481	1.5
123.08082	7.0
123.11722	5.7
125.09633	24.0
127.03919	5.7
128.06242	3.0
129.07001	10.9
130.07785	2.2
131.08572	34.3
133.06503	3.1
133.10130	37.5
135.08063	10.6
135.11688	20.9
137.09631	3.8
137.13223	1.4
141.06905	2.2
142.07773	2.0
143.08548	9.3
145.06464	3.8
145.10118	29.4
147.08083	2.3
147.11693	23.1
149.09607	24.9
149.13243	12.1
151.11177	3.3
153.09184	2.6
154.07843	1.5
155.08569	5.0
157.10144	10.8
159.08017	2.3
159.11685	25.2
161.09641	3.0
161.13295	11.3
163.11157	14.6
165.12726	1.5
169.10118	8.3
171.10246	3.4
171.11739	9.3
173.04483	2.9
173.05922	1.5
173.09621	2.6
173.11905	2.2
173.13274	9.8
175.11218	2.9
175.14902	1.9
177.12756	5.8
179.14328	5.5
181.10176	2.1
181.12202	2.0
182.10962	1.6
183.11684	8.9
185.13290	4.5
185.32881	1.5
187.11247	3.2
187.14847	2.9
189.09477	2.2
189.11238	12.7
189.12750	2.8
191.14252	1.9
195.11626	2.1
195.13802	4.2
197.13271	5.0
199.14925	2.7
209.13313	2.2
211.14917	1.8
215.14363	2.3
227.12776	38.6
229.14395	4.0
229.19534	5.0
239.18005	5.0
245.13921	3.7
247.20660	5.9
253.17923	2.5
255.15788	7.4
257.19016	15.2
259.20627	1.8
267.15939	4.4
269.17499	25.2
270.17807	1.5
273.18741	1.4
275.20068	72.2
293.21146	5.0
321.24365	1.8
331.22659	3.9
344.48016	1.5
349.23785	65.8
365.23386	1.7
367.24838	4.0
423.27518	3.3
431.27756	2.4
439.27026	3.4
445.29562	3.0
447.31302	1.9
449.28876	4.4
451.32007	3.0
463.30383	4.8
469.33060	2.8
503.33960	2.2
519.33112	4.5
525.35779	5.1
527.36658	2.0
529.35413	9.9
543.36810	40.7
561.37744	3.7
583.30884	1.6
623.42932	16.3
641.44049	6.2
857.45764	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.7
65.03946	5.2
67.05505	86.7
69.03429	10.6
69.07067	39.5
69.86902	5.7
69.87317	2.3
71.01346	2.5
71.04988	7.6
71.08649	1.4
73.02899	2.8
73.30764	1.2
77.03883	1.8
79.05492	73.9
81.03416	16.5
81.07056	100.0
83.04980	12.9
83.08613	18.0
85.02903	7.8
85.06549	6.0
91.03938	2.0
91.05481	80.3
93.07043	82.7
95.04969	21.3
95.08606	46.6
97.02897	7.6
97.06531	16.1
97.10171	6.6
98.20810	1.6
99.04436	2.8
99.08091	3.8
103.05478	2.9
105.04486	1.5
105.07032	74.3
106.07384	2.1
107.04951	12.0
107.08591	43.8
109.02912	1.5
109.06513	10.2
109.10151	20.2
111.04425	1.4
111.08079	6.4
113.09663	1.3
115.05436	3.9
116.06214	1.3
117.07020	29.4
119.04900	1.5
119.08576	47.9
121.06532	6.7
121.09305	2.3
121.10139	29.1
123.08040	7.2
123.11707	6.9
125.09631	4.0
127.03925	4.2
128.06207	3.2
129.05516	2.7
129.06998	14.6
130.07790	1.9
131.08568	30.8
133.06473	3.5
133.10132	43.8
134.10454	3.2
135.08052	7.8
135.11681	24.6
137.09587	4.7
141.06996	3.3
142.07764	3.3
143.08549	12.9
145.04953	1.9
145.06465	2.0
145.10117	26.6
147.08035	3.3
147.11691	24.8
149.09636	14.0
149.13246	15.8
151.11171	6.5
153.07188	1.4
155.08540	5.8
157.10129	12.8
159.08102	2.0
159.11690	23.9
161.09622	4.6
161.13226	9.1
163.11189	10.0
163.14769	1.4
165.12793	2.7
167.08569	2.6
168.09285	1.3
169.10135	7.0
171.11679	11.4
173.04442	1.7
173.13249	10.9
175.11243	3.0
175.14819	3.4
177.12770	6.2
179.14326	3.2
181.10144	2.6
183.11688	6.6
185.13245	8.7
187.11206	2.2
187.14853	2.6
193.10083	1.7
195.11803	2.4
195.13805	5.2
197.13264	4.4
199.14870	3.4
201.12628	1.2
209.13283	2.9
211.14780	2.1
213.14638	1.6
213.16449	2.2
220.06479	1.3
223.14738	1.7
229.19547	2.6
231.21111	1.6
233.15462	1.4
235.14812	2.2
239.17972	3.4
241.19424	5.8
247.20578	2.1
253.14447	5.7
254.14668	2.2
255.16020	8.5
257.18997	7.7
259.20563	15.4
267.15939	3.3
269.17459	20.9
273.18533	2.5
274.19016	1.6
275.20078	21.1
291.19547	2.7
293.21069	2.1
311.23849	1.7
315.23322	2.5
329.24606	1.5
333.24274	14.6
335.25769	3.0
349.23746	10.6
367.24564	2.5
431.27643	1.3
435.32901	2.4
445.29932	1.7
449.29147	3.1
453.33099	1.5
463.30524	5.5
501.35483	1.5
513.35461	4.6
515.37396	2.8
527.37305	13.5
543.36450	5.6
545.38367	1.4
561.37146	2.1
607.43292	5.5
625.44098	3.3
683.83691	1.3
856.46667	1.5
857.45886	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	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35176	1.1
61.02913	3.1
65.03931	3.9
67.05507	89.9
69.03428	11.4
69.07070	37.6
69.74494	5.7
69.74910	2.8
71.04990	6.0
73.02901	1.9
79.05495	70.6
81.03421	14.0
81.07057	100.0
83.04992	15.7
83.08624	16.0
85.02912	7.0
85.06538	5.8
87.64535	1.3
91.05481	58.6
93.07045	75.6
94.33672	1.3
95.04963	21.3
95.08608	39.4
97.02895	5.6
97.06533	21.0
97.10170	13.7
98.21461	2.3
99.04456	2.3
99.08096	5.1
103.05455	2.9
105.04494	1.6
105.07032	51.3
107.04952	15.3
107.07867	2.9
107.08595	46.5
107.40609	1.1
109.06508	10.2
109.10154	14.9
111.04375	1.2
111.08073	7.0
113.09643	2.2
115.03905	1.5
115.05461	4.1
117.06204	2.4
117.07005	23.3
117.07750	2.0
118.07855	1.2
119.08578	36.9
119.73385	1.1
121.06507	6.3
121.10151	23.2
123.08057	6.3
123.11671	6.0
125.09633	8.7
127.03916	3.5
128.06201	3.0
129.05479	2.7
129.07034	10.2
130.07780	3.2
131.08566	25.8
133.06493	2.6
133.10135	34.6
133.11107	2.6
135.08086	8.2
135.11688	24.1
137.09642	4.5
139.07568	1.2
139.11174	1.4
141.06987	3.9
142.07747	1.7
143.08585	7.9
145.06473	3.3
145.10126	22.2
147.04568	1.2
147.08058	3.4
147.11697	16.1
149.09625	19.6
149.13269	13.5
151.11191	5.3
155.08530	4.5
157.10149	9.7
159.11687	21.3
161.09637	2.9
161.13232	6.3
163.11205	11.6
165.12766	2.0
167.08490	1.3
169.10110	6.2
171.10428	1.3
171.11682	6.6
173.04524	3.0
173.09509	1.9
173.13217	10.4
175.11185	2.4
175.14865	2.0
177.12727	7.0
179.14348	4.8
181.10178	1.9
181.12291	3.4
183.11728	5.8
185.13235	2.9
187.11209	2.4
187.14862	1.8
189.11180	4.0
189.12799	1.9
191.14331	1.4
195.12080	1.8
195.13741	9.4
197.13243	4.7
199.14781	2.0
201.12866	1.7
209.13354	1.6
213.14766	1.8
215.18121	1.4
221.13373	1.5
227.12776	10.6
229.14249	1.6
229.19551	2.6
235.14771	1.7
235.16905	1.6
239.17976	4.8
245.13817	1.6
247.20587	3.1
253.14523	2.1
255.15837	13.8
257.19025	16.8
257.21603	2.0
267.15958	4.3
269.17474	48.6
273.18491	1.5
275.20074	46.5
291.19528	3.0
293.21033	4.8
303.16068	1.6
331.22604	2.0
349.23715	40.9
365.23190	2.5
367.24783	7.0
371.16443	1.3
413.21658	3.1
433.30405	2.0
435.27158	3.7
445.29300	3.8
449.28976	26.0
451.31995	1.9
463.30539	34.3
469.33145	1.3
503.33191	1.5
511.34558	1.5
525.35449	4.6
529.35352	8.3
531.37299	1.4
531.45966	1.3
535.95349	1.5
543.36761	43.1
547.35870	1.8
561.37604	5.5
607.35052	2.1
623.43152	6.3
641.43665	5.8
648.38446	1.4
687.40070	1.7
856.45428	4.4
857.46521	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.1
63.60101	1.9
65.03932	7.3
67.05506	100.0
68.05844	3.1
69.03426	12.2
69.07069	48.4
71.04992	10.0
71.60385	2.4
73.02936	2.9
75.77928	1.9
79.05495	93.4
80.05836	2.4
81.03421	13.3
81.07059	98.3
82.07405	2.5
83.04999	13.4
83.08620	22.1
85.02908	9.1
85.06542	5.4
89.45371	1.9
91.03934	3.3
91.04903	4.8
91.05482	99.6
92.05816	3.7
93.07044	90.4
94.07300	2.4
95.04972	20.9
95.08611	53.8
97.02898	10.0
97.06526	23.4
97.10158	13.7
99.04440	3.6
99.08092	4.9
99.81754	2.1
103.05458	4.4
105.07034	88.8
106.07359	4.6
107.04962	7.8
107.08598	50.2
109.06519	11.4
109.10160	28.9
110.10556	2.4
111.08097	6.0
113.06033	3.1
115.05431	3.7
117.07017	35.5
119.07804	4.0
119.08596	51.2
121.06481	10.1
121.10165	25.6
123.08074	9.2
123.11725	6.5
125.09682	10.0
127.03871	5.6
128.06223	4.6
129.07001	19.1
130.07745	3.6
131.08572	42.5
133.06490	4.2
133.10126	52.4
134.10483	3.9
135.08054	7.9
135.11703	20.6
137.09625	6.9
139.07559	2.2
141.06981	8.2
142.07748	3.4
143.08592	18.9
145.06601	2.8
145.10132	32.8
147.08069	4.4
147.11713	26.3
149.09668	16.8
149.13264	11.0
151.11194	6.7
153.06923	2.7
155.08560	10.6
157.10120	17.8
159.08051	2.7
159.11665	23.1
161.09676	5.4
161.13269	10.4
163.11220	12.5
165.12859	2.8
169.10114	13.1
171.11673	17.9
173.11964	2.3
173.13216	10.2
175.11191	5.0
175.14827	3.2
177.12706	5.6
179.14316	4.6
181.10182	4.3
181.12302	2.8
183.11618	10.4
185.13277	12.6
187.11224	3.4
187.14851	4.5
193.10132	3.3
195.11798	4.8
195.13687	3.6
197.13281	8.6
199.14870	6.5
201.12837	2.6
203.14337	4.3
209.13300	5.4
211.14757	3.8
217.15846	2.7
221.13312	3.4
227.12732	11.3
239.17842	2.8
241.19461	6.1
247.20601	4.3
253.14388	8.5
254.14552	5.0
255.15788	6.1
257.19037	12.9
259.20676	15.1
267.15875	2.5
269.17517	15.7
270.17554	2.5
273.18488	6.3
274.18784	3.8
275.20074	38.2
287.20267	2.6
290.43311	2.5
291.19574	7.3
292.19919	3.4
293.20999	4.9
297.22415	2.5
315.23123	2.6
331.22479	3.8
333.24258	17.3
349.23770	21.8
350.24030	3.0
365.23334	3.6
366.23660	5.0
367.24915	2.2
429.29944	2.2
449.29166	4.7
513.35834	9.2
527.37280	8.4
543.36639	8.1
560.36823	4.1
561.36731	6.7
607.43506	14.4
625.44586	11.9
641.42950	4.5
856.50378	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	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.9
65.03943	5.0
67.05502	87.0
69.03429	11.7
69.07066	49.9
71.01361	2.4
71.04981	7.8
71.05460	1.7
73.02913	2.8
79.05492	79.5
81.03424	16.9
81.07053	100.0
82.07393	2.4
83.04987	14.7
83.08617	19.6
85.02901	10.1
85.06541	5.8
91.03960	2.1
91.05478	87.0
91.17010	1.2
92.05788	3.0
93.07041	83.3
94.07378	1.6
95.04972	20.7
95.08603	53.4
97.02895	9.3
97.06519	19.1
97.10157	10.4
99.04426	2.5
99.08096	4.0
99.51585	1.4
103.05479	3.1
105.04515	2.7
105.07032	69.1
106.07372	1.8
107.04956	11.0
107.08594	49.0
109.02814	1.6
109.06504	9.6
109.10150	23.7
111.04436	1.7
111.08078	8.5
113.05961	1.8
113.09677	2.0
115.05464	4.4
117.07020	28.9
119.08579	51.4
121.06514	6.5
121.10133	27.7
123.08069	5.8
123.11701	6.7
125.09632	11.7
127.03926	4.4
128.06224	2.9
129.05487	3.6
129.07014	15.8
130.07814	1.5
131.08568	38.7
131.09535	2.4
133.06477	2.3
133.10132	44.5
135.07124	1.6
135.08034	7.5
135.11699	17.8
137.09596	4.2
138.24452	1.4
139.11171	1.6
141.07010	5.6
142.07791	3.9
143.08557	18.2
145.06543	2.2
145.10123	28.5
147.08043	4.8
147.11693	27.3
149.09631	14.7
149.13243	14.4
151.11191	4.3
155.08539	8.6
157.10136	12.2
159.08025	2.1
159.11700	22.3
161.09668	3.7
161.13249	12.9
163.11209	11.8
163.14798	1.9
167.08607	3.8
168.09386	2.1
169.10127	8.5
171.10278	2.3
171.11673	14.5
173.04468	1.8
173.09579	2.0
173.11879	2.4
173.13254	11.6
175.11185	3.8
175.14853	3.9
177.12692	6.6
179.14345	4.8
181.10132	3.3
181.12138	1.4
183.11722	9.3
185.09647	1.5
185.13263	9.5
187.11232	2.4
187.14822	3.8
189.11240	5.8
189.12759	2.2
189.16510	1.6
193.10231	2.3
195.11722	4.4
195.13867	4.7
197.13271	6.1
199.14838	5.1
201.12813	1.7
201.16414	2.2
205.12244	1.8
207.11790	2.4
209.13309	2.8
211.14856	4.4
213.16431	3.0
215.14375	2.0
221.13234	2.5
223.14940	1.7
227.12674	9.5
228.13235	1.8
229.14227	2.9
229.19566	2.5
239.18077	3.4
241.19514	5.9
247.20618	3.0
253.14423	5.2
254.14613	2.3
255.15880	6.1
257.18951	7.1
259.20557	14.5
267.15903	2.8
269.17426	16.9
273.18494	3.1
275.20053	28.1
276.20435	2.3
277.21558	2.9
291.19592	5.0
293.21027	3.5
301.21561	1.6
315.23260	2.7
333.24274	15.9
335.25827	3.3
349.23749	19.2
365.23370	1.9
403.30002	1.6
435.32556	2.6
449.29004	1.9
463.30682	3.7
483.58673	1.7
487.34430	1.5
513.35791	10.0
515.38098	2.3
527.37280	13.1
543.36658	5.5
607.43378	8.8
625.44666	9.4
641.44025	3.4
857.45667	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	6.7
65.03938	7.8
67.05504	92.8
69.03435	11.6
69.07069	42.9
69.07455	1.5
69.41848	1.0
70.55789	2.4
70.56182	1.6
71.04996	6.3
73.02914	3.3
77.03936	2.8
79.05493	82.0
81.03414	16.1
81.07057	100.0
83.04980	17.2
83.08621	15.6
85.02898	10.3
85.06539	4.8
91.03982	5.5
91.05480	95.9
93.07044	90.6
93.07906	1.5
95.04970	21.7
95.08602	58.7
97.02901	12.9
97.06525	14.3
97.10169	8.3
98.09708	3.4
99.04465	3.1
99.08078	5.9
103.05469	4.7
105.04539	2.3
105.07031	79.6
107.04958	10.1
107.07870	2.3
107.08592	43.1
109.02831	1.7
109.06519	10.4
109.10149	23.6
111.04452	1.6
111.08077	7.6
112.84967	1.2
113.06019	1.1
113.09673	1.6
115.05424	5.3
116.06309	1.7
117.07013	37.6
119.08579	56.2
121.06506	6.8
121.10143	31.0
123.08058	8.7
123.11718	6.8
125.09663	5.6
127.03905	7.8
127.07581	1.4
128.06197	6.6
129.05476	5.1
129.07005	25.3
130.07809	1.8
131.08569	43.1
133.06444	3.6
133.09108	2.7
133.10124	48.9
135.08058	8.3
135.11691	21.2
137.09627	5.1
137.13251	2.2
139.11195	2.3
141.06963	7.4
142.07758	5.2
143.08560	19.3
144.09386	1.6
145.04977	3.3
145.06497	2.3
145.10123	38.8
147.08058	3.4
147.11690	30.7
149.09596	12.2
149.13268	16.3
150.86548	1.0
151.11189	3.1
153.09105	1.2
154.07727	1.1
155.08534	11.1
156.09326	2.4
157.10124	19.6
159.08147	2.0
159.11688	29.6
161.09650	3.8
161.13254	15.8
163.11200	8.2
163.14764	2.6
165.12799	1.7
166.07721	1.3
167.08577	3.9
169.10098	12.2
171.08052	1.2
171.11685	19.4
172.12398	1.8
173.04414	1.7
173.09624	1.5
173.11795	1.8
173.13242	15.1
175.11191	4.3
175.14810	4.7
177.12743	5.1
179.08548	1.2
179.14323	3.3
181.10030	5.6
183.11726	9.1
185.13271	12.5
187.11174	1.8
187.14822	5.7
189.11234	1.9
189.12816	2.8
189.16422	1.6
191.14406	1.1
193.10162	1.9
193.12230	1.7
195.11700	6.2
195.13821	5.0
197.13290	8.5
199.11282	2.2
199.13243	1.2
199.14815	7.4
201.12845	1.8
201.16461	2.1
205.10243	1.9
207.11728	3.2
207.13745	3.2
209.13261	5.5
211.14900	6.1
213.16437	3.3
215.17941	2.4
217.15790	1.7
219.11642	1.3
219.13826	1.2
221.13326	1.8
223.14854	3.5
225.16420	2.5
227.12657	2.0
227.18010	2.2
229.19557	1.5
231.17557	1.4
231.21162	1.4
233.15497	1.5
237.16365	2.2
239.17981	5.2
241.19591	7.9
249.16368	1.3
253.17732	1.3
257.19022	8.4
259.20566	18.4
261.22162	2.7
263.17767	1.4
267.15973	1.6
269.17377	10.2
273.22305	1.2
275.20093	10.0
277.21600	2.1
279.21127	1.5
281.17499	3.5
285.22089	1.8
294.86401	1.1
297.22137	1.3
299.19778	1.3
309.22250	1.4
311.23730	2.4
313.21704	2.1
315.23196	3.4
323.23602	1.3
325.21942	1.5
331.22614	1.9
333.24237	18.4
335.25867	7.1
339.23016	1.4
339.26639	1.4
349.23904	6.4
417.31229	1.3
435.32611	2.6
453.33508	1.4
463.30472	1.7
475.30786	1.4
513.35590	2.4
515.37311	1.5
517.40033	2.4
527.37433	9.6
535.41748	1.4
539.37012	1.8
543.37079	2.0
555.36761	1.2
591.43976	2.7
607.43384	2.2
609.45074	22.3
625.44434	3.0
641.43787	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25705	1.9
61.02927	74.4
62.71837	2.1
65.03960	2.7
66.97478	2.4
67.05505	80.2
69.03413	6.7
69.07066	14.2
70.06605	3.0
71.04990	4.0
71.61122	2.2
73.02919	27.7
79.05492	40.4
81.03410	8.0
81.07061	92.9
83.04991	2.9
83.08610	9.5
85.02905	87.0
85.06541	2.9
91.03961	78.2
91.04528	4.8
91.05476	29.0
93.07047	59.9
95.04964	5.7
95.08608	71.8
97.02888	46.8
97.06530	5.1
97.10152	5.4
99.04477	3.5
99.08081	3.0
101.02368	2.5
105.07035	21.6
107.08593	38.1
109.02863	5.2
109.06541	4.0
109.10162	35.2
114.88887	2.2
115.03927	5.1
117.05492	3.2
117.07032	8.8
119.08575	18.1
121.06503	2.9
121.10151	38.1
123.07986	2.6
123.11701	18.4
125.09695	2.5
127.03914	36.0
131.08566	22.3
133.10144	17.8
135.11703	25.8
137.13266	6.4
140.10651	3.5
145.04965	39.0
145.10095	14.8
147.11690	14.0
149.13280	22.5
151.11168	3.1
159.11708	16.5
161.13269	10.7
163.06017	83.6
163.14832	12.5
165.12764	5.3
173.13295	18.4
175.14853	2.9
177.12706	3.5
177.16414	5.7
179.14360	3.6
187.14848	9.4
191.06859	2.9
201.16484	2.7
205.15955	4.6
233.22708	3.8
243.21066	30.4
261.22137	100.0
291.19281	2.5
325.11160	3.8
335.25772	35.1
348.06177	2.4
353.26877	83.6
354.27097	3.1
446.23358	2.6
497.30859	10.9
628.87708	2.7
840.66589	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38873	1.0
65.03944	3.1
67.05503	44.7
69.03430	11.8
69.07068	34.5
71.04983	3.1
79.05493	39.8
80.94687	0.8
81.03416	8.7
81.07055	48.1
82.77639	1.0
83.04971	9.3
83.08614	12.6
84.34294	1.0
85.02908	3.0
85.06526	2.6
88.40792	1.0
91.05474	30.6
93.07043	34.3
95.04979	12.5
95.08602	20.7
96.41393	0.9
97.02890	9.0
97.06525	10.6
97.10175	14.4
99.08082	1.6
103.05507	1.1
105.07034	26.0
105.07684	0.9
107.04955	9.6
107.08592	24.5
109.02856	1.3
109.06514	4.6
109.10143	9.4
111.04449	1.0
111.08086	5.1
112.77942	1.0
115.05460	1.6
117.07009	12.8
119.08578	18.8
121.06507	4.1
121.10133	11.6
123.04454	1.5
123.08085	4.8
123.11694	3.3
125.09636	11.4
127.03933	1.7
128.06160	1.5
129.07024	5.2
130.07748	1.7
131.08562	15.1
133.06497	4.6
133.10120	13.1
135.08061	6.5
135.11703	8.0
137.09642	3.9
142.07785	1.5
143.08580	5.6
145.06458	1.4
145.10123	11.9
147.08055	6.8
147.11687	5.6
149.09605	6.3
149.13268	6.4
151.11205	2.4
153.09106	1.5
155.08609	1.2
157.10109	4.3
159.11687	9.0
161.09593	2.9
161.13271	3.1
163.11192	4.8
165.09062	1.4
165.12825	1.2
169.10123	2.7
171.11681	2.9
173.04524	1.6
173.09595	1.2
173.13297	3.6
175.11212	3.0
175.14726	1.4
177.12724	2.8
179.14366	1.6
181.10225	1.7
181.12146	1.2
183.11664	1.3
185.09683	1.1
185.13206	1.5
189.11223	5.8
189.12714	1.4
193.12262	1.2
195.11726	0.9
195.13840	4.1
197.13254	1.3
205.12225	1.9
223.13287	15.2
227.12770	10.6
229.19595	1.3
229.51752	1.2
239.18045	2.1
247.20517	1.3
249.14847	3.4
253.14409	3.4
255.15726	6.6
257.19080	5.9
263.20129	1.1
267.15878	1.7
269.17441	17.4
273.18445	15.0
275.20053	16.7
291.19537	100.0
292.19861	3.6
293.21310	1.2
309.62192	1.1
331.22632	1.5
347.22079	3.0
349.23688	15.1
365.23233	40.4
366.23727	1.8
367.24838	1.1
461.28848	1.2
527.33417	1.5
541.35199	4.0
545.27991	1.4
545.34766	13.7
559.36310	50.4
560.36670	2.2
639.42517	18.5
640.42737	1.2
657.43408	3.3
854.45087	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	854.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.4
65.03944	3.1
67.05505	46.4
69.03429	9.3
69.07067	31.6
69.34659	0.7
69.34987	6.1
71.01369	0.7
71.05018	3.9
73.02909	0.8
77.03946	0.9
79.05493	42.5
81.03418	10.0
81.07056	50.3
82.50782	0.7
83.04976	9.9
83.08620	12.9
85.02885	3.3
85.06554	3.0
87.04479	0.7
91.03957	1.5
91.05480	32.9
93.07041	39.2
95.01327	1.2
95.04969	13.1
95.08606	21.0
97.02886	9.3
97.05899	0.9
97.06532	12.2
97.10174	13.3
99.04463	1.1
99.08080	2.0
103.05471	1.2
105.04551	1.3
105.07029	29.1
107.04955	9.6
107.08592	27.0
109.02882	1.7
109.06499	6.0
109.10152	13.3
111.04409	1.3
111.08070	3.2
111.11717	0.8
115.05455	1.8
116.06238	1.0
117.07023	14.5
119.04967	1.3
119.08577	21.1
121.06500	4.4
121.10152	10.5
123.04401	1.5
123.08076	5.9
123.11683	3.6
125.09631	10.0
127.03903	1.6
127.07520	0.7
128.06229	2.1
129.05522	1.0
129.06995	6.8
130.07745	1.2
131.08574	15.3
133.06540	3.8
133.10126	18.8
134.07225	1.2
135.08063	6.8
135.11687	10.7
137.09612	3.4
138.61130	0.7
139.11154	0.9
141.06956	1.2
143.08556	5.7
145.05031	0.6
145.06430	1.7
145.10124	11.9
147.08049	6.8
147.11676	7.3
149.09627	8.3
149.13254	8.5
151.11186	4.8
153.09067	1.5
155.08533	2.6
157.10124	4.9
159.08058	1.9
159.11694	10.2
161.09659	3.8
161.13205	2.4
163.11174	6.0
165.09142	1.9
165.12798	1.2
169.10124	1.8
169.12192	1.8
171.10219	1.1
171.11681	2.5
173.04460	1.4
173.09618	1.5
173.11812	1.0
173.13260	2.8
175.11195	2.7
177.12755	4.1
179.10664	1.2
179.14272	1.9
181.10165	1.0
181.12178	0.8
182.73763	0.7
183.11667	1.3
185.09637	0.8
185.13203	1.5
187.11157	2.2
187.14799	1.4
189.11203	6.0
189.12775	1.8
193.12155	1.1
195.12057	1.2
195.13792	6.1
197.13200	1.3
199.11139	0.7
199.14819	1.2
201.12859	1.1
202.57872	0.6
205.12254	1.7
213.12878	0.8
213.14789	0.9
215.12737	1.0
217.15845	0.8
223.13255	16.9
227.12775	10.0
227.17995	1.2
229.19489	1.4
231.17480	1.1
233.15227	1.4
237.16322	0.7
239.17934	2.3
245.19022	2.6
247.20587	1.1
249.14812	3.2
251.12680	0.7
253.14316	9.0
255.15665	5.4
257.18994	5.8
263.20151	1.5
267.15872	1.7
269.17480	26.6
271.15186	0.7
273.18484	18.9
275.20074	16.3
291.19531	100.0
292.19855	1.8
293.21048	1.2
309.20569	2.1
321.24374	1.1
331.22763	0.9
347.22195	3.1
349.19662	1.2
349.23712	14.3
357.02325	0.6
365.23236	39.5
367.24777	1.9
413.17413	1.0
439.27103	1.2
461.28824	1.7
519.33252	0.9
527.33722	1.2
541.35248	2.7
545.34729	15.8
559.36310	63.2
560.36414	2.0
577.36340	0.8
599.38849	1.0
621.41321	2.1
639.42609	15.5
657.43188	2.8
703.40869	1.5
854.33801	0.7
854.45892	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	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.1
61.52936	1.3
62.56239	1.2
65.03931	2.6
65.71214	1.2
67.05508	39.7
69.03432	10.2
69.07066	28.4
71.05023	2.6
71.05377	3.9
73.72516	1.1
79.05495	39.3
81.03426	8.2
81.07059	42.0
83.04975	5.9
83.08622	12.2
84.05264	1.4
85.02912	2.6
85.06536	2.2
85.34753	1.3
85.56042	1.3
91.05481	40.1
93.07047	37.1
95.04974	15.0
95.08604	24.2
97.02898	8.9
97.06535	7.7
97.09067	1.1
97.10179	13.2
99.08093	1.7
105.07028	36.1
107.04964	8.6
107.08594	23.3
109.02863	2.3
109.06508	3.7
109.10143	12.8
111.08081	4.3
115.05452	3.5
117.07021	16.3
119.08587	26.8
121.06493	4.9
121.10133	12.3
123.08067	5.0
123.11692	1.8
125.09634	9.2
127.03896	1.8
128.06256	1.8
129.05537	1.6
129.07034	8.8
130.07803	1.5
131.08565	19.3
133.06500	1.8
133.10136	20.2
135.08105	4.2
135.11696	7.5
136.06139	1.9
137.09648	3.2
141.06987	1.5
142.07788	1.7
143.08527	6.4
145.10104	14.9
147.08026	4.7
147.11687	12.6
149.09627	5.7
149.13286	6.1
151.11259	2.1
155.08510	2.8
157.10127	6.0
159.11697	10.7
161.09642	3.3
161.13263	6.5
162.07765	4.1
163.11168	2.8
169.10147	4.4
171.10201	1.9
171.11693	6.4
173.11771	1.3
173.13261	4.3
175.11197	3.8
175.14844	4.7
175.19473	1.4
177.12764	3.6
181.10164	2.5
183.11736	2.3
185.13274	4.0
187.14876	1.5
189.11281	7.4
189.12656	1.9
195.12015	1.4
195.13837	3.7
197.13234	1.9
199.14740	2.9
205.12254	2.0
209.13300	1.6
223.13316	16.9
227.10803	1.6
227.12692	7.4
231.21080	1.8
241.19537	5.6
245.19064	1.8
249.14883	3.6
257.19016	3.7
259.20557	15.8
269.17447	7.7
273.18515	10.6
275.20062	11.7
282.26959	1.5
285.10196	1.5
291.19556	100.0
292.19690	2.2
315.23157	4.0
333.24304	19.3
335.25955	2.7
349.23917	6.6
351.37393	1.5
365.23267	25.2
515.33624	1.4
525.35699	2.0
543.37207	2.7
559.36218	13.6
623.43060	12.6
639.42297	3.7
641.43811	2.1
657.43884	1.7
692.45367	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	7.9
62.41577	0.4
65.03922	2.3
67.05502	57.2
69.03426	2.7
69.07066	12.9
70.74316	0.6
70.74652	0.8
71.01357	1.1
71.04990	11.4
71.08625	0.6
73.02915	3.5
73.06580	0.5
77.03918	0.7
78.85938	0.4
79.05490	24.3
80.05843	0.5
81.03416	6.0
81.07054	70.5
82.07394	0.7
83.04982	4.8
83.08614	11.3
85.02900	11.8
85.06058	0.8
85.06541	6.9
87.04459	1.7
91.03957	6.5
91.04894	0.8
91.05476	19.6
93.07040	33.9
95.04965	5.1
95.08602	12.8
96.04527	0.5
97.02882	6.2
97.06530	9.5
97.10165	4.6
99.04475	1.3
99.08095	1.5
105.04535	0.4
105.07021	8.0
107.04957	1.5
107.08595	22.3
107.50755	0.4
109.02824	0.5
109.06534	3.1
109.10154	15.5
111.04484	0.5
111.08066	4.7
113.06007	0.7
115.05421	0.5
117.06997	6.6
119.08573	4.1
121.06496	1.0
121.10141	13.1
123.08098	1.2
123.11715	7.1
125.09614	3.4
127.03932	2.5
127.07526	0.5
128.51115	0.4
129.05495	1.6
129.06989	0.7
131.08559	6.5
132.09059	0.4
133.10115	11.3
133.11066	0.6
135.08070	1.8
135.11690	5.8
137.09647	1.5
137.74445	0.4
139.11220	0.9
143.08562	0.4
143.10666	0.6
145.04948	2.8
145.10118	1.4
147.08015	0.7
147.11655	2.8
149.09618	0.8
149.13251	19.6
151.11165	3.7
153.12807	0.9
155.08533	0.5
155.10670	0.8
157.10153	0.7
159.11685	8.3
163.06007	2.4
163.11192	2.3
165.12733	1.1
167.07098	0.5
167.14355	0.5
169.12239	0.5
171.11771	0.6
173.09721	0.4
173.10333	0.5
173.11763	4.4
175.11224	0.8
177.12743	4.7
181.12238	0.5
183.13782	1.4
187.13280	1.9
187.14801	0.6
191.10625	0.7
193.12273	2.0
195.13797	7.5
199.13318	1.7
209.11761	1.4
211.13272	0.8
213.14720	2.3
225.14819	0.9
227.12849	2.7
229.14330	14.2
233.15414	0.5
239.16371	1.0
251.16426	0.8
257.13770	0.5
257.17670	0.5
267.15903	3.8
269.17471	27.5
270.17789	0.7
278.85309	0.4
283.15564	2.1
283.18417	0.5
292.19009	0.5
299.05273	0.5
301.16492	4.7
301.20105	3.5
306.94342	0.4
393.26343	1.0
411.27512	2.2
423.27402	13.3
431.28156	0.6
437.28983	28.2
438.29639	0.8
451.30505	3.4
463.30536	100.0
464.30856	2.8
477.28336	1.3
495.32980	27.8
496.33542	0.9
513.30591	6.7
581.32635	0.8
607.34644	1.6
639.37164	2.8
742.14349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46256	0.7
61.02927	19.2
65.03923	3.3
67.05503	100.0
69.03427	6.8
69.07066	19.0
71.01347	2.4
71.04982	5.8
71.43275	1.1
73.02920	7.9
76.14468	0.6
79.05490	43.0
80.90728	0.6
81.03419	15.4
81.03899	0.8
81.07055	71.5
83.01360	0.7
83.04981	9.8
83.08618	21.1
85.02901	29.9
85.06554	4.0
87.04475	3.4
91.03959	10.9
91.05477	32.2
93.07043	40.7
95.04972	8.9
95.08604	22.0
97.02888	14.5
97.06525	11.0
97.10165	14.5
99.04468	2.3
99.08090	2.0
103.03954	2.4
105.04506	1.1
105.07034	12.8
107.04967	5.1
107.08589	30.1
109.02892	1.7
109.06512	4.4
109.10157	51.4
111.04455	1.5
111.08069	7.5
113.06013	0.8
115.03955	0.7
116.04732	1.4
117.07008	8.4
119.08580	11.3
121.06496	3.9
121.10139	12.4
123.04463	1.0
123.08077	2.8
123.11725	4.2
125.06038	1.1
125.09624	13.2
127.03922	5.8
129.05492	6.2
129.07021	2.4
131.08569	8.7
133.06541	0.8
133.10132	11.2
135.08087	3.0
135.11682	10.5
137.09615	3.6
137.13315	0.6
143.07066	2.1
143.10701	2.0
144.57936	0.7
145.04956	4.6
145.10156	4.7
147.08028	1.3
147.11656	5.0
149.09654	2.3
149.13257	11.5
149.14337	0.9
151.11179	1.1
153.12724	3.9
155.08601	0.7
155.10678	3.0
157.10123	1.6
159.11679	6.8
163.06017	6.8
163.11194	7.6
165.12807	4.2
171.10341	0.8
171.11758	1.4
173.04582	0.9
173.09703	1.9
173.11751	15.3
175.11217	2.0
177.12721	3.4
181.12276	2.4
185.11726	0.7
189.11226	1.5
191.10739	2.6
193.12274	5.0
195.13797	10.9
195.15474	0.8
199.13304	6.0
199.14838	0.8
207.13771	0.7
209.11725	7.2
211.13271	5.7
213.14961	1.8
219.14053	0.7
227.12779	10.1
229.14354	45.4
239.16389	3.9
240.61133	0.7
265.14487	1.0
267.15903	13.1
267.18549	1.0
269.17468	46.6
283.15390	7.1
285.17053	2.4
295.19046	0.8
297.17133	1.9
301.16467	17.0
313.16626	1.9
323.18488	1.9
357.24426	1.0
393.26437	1.5
411.27475	5.6
422.27078	1.2
423.27399	36.8
431.28210	2.4
445.20679	0.7
449.29175	2.7
459.27826	1.2
477.28720	4.4
495.29504	81.5
496.30414	1.1
513.30579	27.7
521.91693	0.7
732.12091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02644	1.2
61.02929	18.1
65.03938	3.3
67.05506	100.0
69.03429	5.9
69.06720	1.3
69.07071	17.8
71.01323	0.9
71.04998	10.4
71.61011	0.8
73.02610	0.7
73.02933	6.9
79.05494	43.4
81.03413	12.9
81.07058	91.1
83.04987	10.8
83.08620	22.1
85.02903	31.7
85.06539	6.2
87.04468	4.1
91.03477	1.3
91.03962	14.3
91.05482	34.4
93.07047	49.6
95.04971	10.5
95.08613	24.5
97.02892	14.1
97.06534	12.1
97.10166	11.0
99.04455	2.5
99.08086	2.2
103.03938	1.4
105.04533	0.8
105.07031	13.2
107.04951	5.2
107.08599	33.7
109.02865	1.7
109.06494	4.5
109.10159	51.4
111.04449	2.2
111.08076	8.9
115.05454	1.3
116.04749	1.3
117.07031	10.3
119.08580	10.7
121.06500	3.4
121.10143	12.6
123.08053	2.5
123.11722	7.3
125.09633	14.3
127.03933	6.1
129.05482	6.1
129.07002	2.9
131.08563	11.4
133.06541	1.1
133.10124	16.7
135.08038	3.3
135.11702	10.9
137.09589	2.4
139.11189	1.4
143.10707	2.5
145.04950	5.6
145.10117	5.2
147.08089	1.3
147.11681	6.8
147.18033	0.9
149.09578	2.3
149.13254	17.1
151.11183	3.6
153.12753	4.0
155.10635	2.8
157.10130	1.8
159.11717	10.3
163.06049	6.2
163.11179	9.5
165.12773	2.5
173.04529	1.8
173.09578	1.7
173.11740	18.3
175.11209	2.0
177.12778	5.2
181.12274	2.6
187.13371	1.0
189.11206	1.8
191.10664	4.0
193.12311	4.6
195.13794	17.8
199.13313	7.8
209.11711	5.7
211.13304	3.2
213.14819	3.0
227.12836	8.2
229.14351	51.5
239.16371	3.0
257.13876	4.5
257.16776	0.9
267.15942	10.7
269.17477	75.9
283.15332	6.4
297.16879	2.1
301.16492	18.3
301.19955	2.5
313.16479	1.1
339.22751	1.3
357.24258	2.3
393.26126	2.6
411.27432	8.0
423.27423	55.1
431.27863	2.4
435.08490	1.1
437.29037	15.9
449.28781	2.5
451.30460	1.3
459.27078	1.5
463.30539	13.1
477.28455	5.1
495.28815	93.9
513.30554	27.6
639.35828	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05006	1.7
69.03407	0.7
70.06594	48.4
71.04995	1.1
71.59939	0.8
75.05603	10.8
79.05479	1.3
83.06107	1.6
84.04506	30.1
85.02888	0.7
85.07657	1.4
88.07596	0.5
91.05486	1.4
93.07057	0.7
95.04924	0.6
95.06090	3.6
96.04476	1.5
97.07649	1.4
98.06055	1.0
101.07148	11.8
102.05524	3.3
103.05466	1.7
107.04963	4.5
109.02849	0.9
112.08730	21.9
113.07137	3.9
114.10236	0.5
115.08700	7.7
118.06464	0.8
119.04956	1.0
120.08112	28.2
123.04417	1.5
124.03951	1.7
124.08692	1.3
125.07090	0.9
129.06606	4.7
130.05020	1.2
130.06511	1.0
131.04941	0.8
132.08093	2.2
134.05998	1.0
135.04420	7.9
136.08768	0.6
138.05446	0.5
139.08629	0.6
140.08179	1.4
141.06616	3.6
143.05659	1.9
146.05966	1.5
147.04407	1.0
148.08665	0.9
150.05635	0.6
152.03491	3.2
152.07071	68.8
152.08099	2.4
157.10873	1.0
160.07561	0.7
161.05959	0.7
162.05519	3.2
162.92467	0.5
163.03915	2.8
164.07056	5.3
167.08212	1.2
168.07776	0.6
169.06073	7.6
172.11264	0.5
174.05504	0.7
177.05441	0.7
177.10234	3.3
180.06561	6.0
186.08749	7.1
187.07161	3.2
191.08263	0.6
192.06583	1.5
192.79752	0.6
195.07709	1.5
197.10570	0.6
200.10802	0.6
205.09738	3.4
207.06537	0.8
209.09236	13.6
212.10349	1.8
213.08670	1.4
215.08270	0.8
215.11903	0.8
216.15041	1.7
217.13385	1.4
219.07677	1.1
222.12416	1.9
223.07146	0.9
227.11726	1.0
237.08730	5.4
240.09883	1.0
241.08131	3.9
242.12848	2.8
243.11171	0.9
244.14476	4.0
249.12294	0.9
253.08260	0.8
259.15533	14.4
261.12473	0.6
277.12064	0.8
279.10886	0.5
280.09448	1.4
281.07724	1.2
287.15106	2.1
297.11957	1.0
298.10391	3.2
315.13028	0.5
316.12936	0.5
316.17426	0.8
319.13959	4.2
320.12524	1.9
333.15643	1.1
338.09729	1.2
344.17151	0.6
348.11856	0.7
348.16913	0.6
355.12436	1.5
361.19733	1.3
376.16315	2.0
411.80127	0.5
431.15417	0.6
444.23734	1.5
472.23166	0.7
487.19940	0.6
489.14310	0.6
573.27826	1.3
837.35046	1.3
854.37927	100.0
855.38141	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.6
65.03937	0.4
67.05506	8.8
69.03429	4.9
69.07067	2.8
70.20162	0.4
71.01341	0.8
71.04990	0.9
71.60223	0.6
71.60649	0.5
73.02919	4.5
79.05493	3.5
81.03440	2.9
81.07059	6.4
83.01325	0.4
83.04999	0.8
83.08627	1.7
85.02910	7.3
85.06529	0.5
87.04469	0.5
91.03963	4.7
91.05475	3.5
91.09491	0.4
92.53748	0.4
93.07045	4.1
95.04987	1.4
95.08601	3.4
97.02896	6.1
97.06493	0.7
97.10180	0.7
99.04465	1.1
101.02380	3.0
103.03925	0.8
104.73445	0.4
105.07035	2.0
105.78555	0.4
107.04996	0.6
107.08597	2.6
109.02892	1.0
109.06540	0.8
109.10167	8.0
111.08067	0.9
115.03951	0.6
117.07053	1.1
119.08624	1.6
121.06493	0.6
121.10165	1.4
123.08041	0.5
125.09578	0.6
127.03952	2.0
129.05484	0.6
129.07024	0.7
131.08601	1.8
133.10162	1.5
135.11664	0.5
145.10187	0.7
147.08052	0.6
147.11751	0.6
149.09734	0.4
149.13301	0.6
155.08618	0.5
159.11719	0.8
161.13274	0.4
169.02652	0.4
173.11818	2.2
175.08470	0.4
183.06537	0.5
185.04303	0.9
203.05402	0.8
223.13347	1.2
229.14381	0.9
243.08472	1.8
251.12758	0.6
253.14349	0.5
273.18634	1.1
274.18985	0.5
291.19516	5.4
291.22458	0.5
292.19867	3.2
335.25650	0.6
347.09628	2.3
365.10706	0.9
365.23294	2.6
366.23645	1.4
405.13699	6.0
413.17828	10.5
463.75043	0.5
519.29321	5.9
575.23169	10.0
655.42340	1.0
656.42212	2.8
681.34497	3.9
691.40082	2.5
752.31720	0.5
853.45544	100.0
854.45819	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	853.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.12573	0.3
61.02928	8.7
65.03938	0.5
67.05505	8.1
69.03429	4.8
69.07062	1.6
69.82523	1.1
69.82937	0.8
70.06593	0.4
71.01363	0.5
71.04979	0.6
73.02914	5.1
75.04464	0.3
79.05491	3.6
81.03417	2.3
81.07060	4.8
83.05024	0.7
83.08617	0.9
85.02903	8.4
87.04473	0.7
91.03960	4.8
91.05469	2.6
93.07053	3.5
95.04961	1.6
95.08589	2.8
97.02890	8.1
97.06548	1.0
97.10197	0.6
98.21365	0.5
99.04469	1.5
101.02402	2.5
103.03950	0.6
105.07042	1.9
107.04962	0.7
107.08614	1.7
109.02898	0.8
109.06557	1.0
109.10156	5.5
115.03915	0.4
117.07005	0.5
119.08608	1.3
121.10129	1.6
123.11720	0.5
127.03910	2.1
127.60187	0.4
131.08574	1.0
133.10149	1.2
135.11732	1.1
137.09641	0.4
145.04996	0.6
145.10159	0.9
147.11679	0.6
149.09612	0.7
149.13324	0.5
151.07611	0.4
153.92416	0.3
155.10617	0.4
159.11708	0.5
173.11826	1.5
173.13216	0.4
185.04292	1.0
189.11194	0.4
195.09875	0.8
203.05347	0.8
215.11888	0.3
223.49606	0.3
229.14432	1.3
243.08453	2.3
251.12645	0.5
273.18610	0.8
273.82605	0.3
275.20148	0.7
291.19632	0.4
335.25833	1.0
347.09512	2.9
363.09027	0.8
365.10736	1.3
405.13675	6.0
405.18564	0.6
407.50598	0.4
413.17813	6.2
413.23032	0.4
519.29346	7.1
519.63361	0.3
575.23175	5.2
604.59198	0.4
620.39111	0.4
656.42773	0.5
681.34552	7.1
681.45087	0.6
691.40216	2.3
853.45557	100.0
854.46179	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	853.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	1.3
66.13071	0.9
67.05508	4.8
67.50927	1.0
69.03429	4.9
69.07060	2.1
70.66186	1.3
70.66543	2.9
73.02924	2.1
81.03411	6.8
81.07042	2.9
82.43092	0.8
85.02906	6.1
87.04451	1.6
91.05474	4.2
93.07050	3.1
94.06555	5.1
95.04984	3.2
95.08564	0.9
97.02901	3.4
99.04443	1.1
105.07035	1.7
106.06567	1.3
107.04958	1.9
107.08587	1.1
108.08131	6.7
109.02911	3.1
119.04955	2.0
120.04422	1.2
120.08109	3.2
122.06041	14.5
123.17384	0.9
124.07587	1.0
127.03942	3.6
134.06012	5.2
136.07562	8.2
140.07071	2.8
143.05647	18.6
145.02884	1.7
146.06004	5.1
146.09674	1.4
147.04420	2.5
148.07610	7.4
150.09091	1.7
151.03972	1.1
152.07083	2.4
160.07600	2.0
161.05962	1.0
162.70523	0.9
164.07071	2.4
166.08656	2.1
167.07079	4.5
172.04057	1.2
174.05540	3.2
174.09180	2.4
175.03964	2.9
176.07169	1.6
177.05508	2.9
184.07587	0.9
188.07143	1.1
190.04968	1.8
198.09247	1.2
204.06569	1.3
206.08118	1.7
206.63593	1.0
207.06512	6.8
209.10759	2.0
210.11578	1.5
211.08693	3.2
211.12201	1.7
212.13089	1.0
213.10242	1.9
216.06464	1.1
221.10825	2.6
222.11574	3.1
223.08626	6.4
223.12286	6.4
224.13120	2.9
225.10257	18.4
225.13727	5.5
226.11011	4.7
227.11784	5.0
231.01971	1.0
232.09692	1.5
235.08623	6.4
235.12344	3.0
236.09238	6.2
237.10222	17.7
237.13829	6.1
238.10995	13.1
239.08237	1.9
239.11800	23.0
240.12492	6.9
241.09770	1.5
241.13351	4.9
243.11327	2.1
248.09514	4.7
248.12994	1.2
249.10211	15.3
249.13873	3.0
250.10982	18.8
251.08115	4.7
251.11789	57.2
252.12532	12.1
253.09787	5.2
253.13354	18.9
254.14172	3.6
261.10309	1.7
262.11124	2.3
263.08932	2.1
263.11792	32.4
264.09012	3.0
264.12601	7.0
264.15070	1.2
265.09833	11.6
265.13385	59.1
266.10590	6.4
266.13971	5.1
267.11383	8.1
267.14755	7.6
268.12210	2.3
268.15607	1.5
269.12967	3.2
271.14343	1.1
275.11792	3.9
277.09915	6.9
277.12967	5.6
278.10391	8.3
279.11279	40.0
280.12042	7.8
281.09528	1.9
281.12878	14.3
283.10837	8.6
283.14319	3.1
284.11487	2.3
285.12338	5.6
287.05423	4.7
291.11270	9.3
292.11960	3.4
293.09613	1.2
293.12848	28.8
294.13657	5.8
295.10867	3.7
295.14438	12.4
296.11560	4.3
297.12329	12.6
297.15393	1.8
298.13211	5.8
299.13965	9.7
300.14835	2.0
303.11337	1.7
304.12250	1.2
305.13104	2.4
306.13754	1.2
307.10733	3.0
307.14505	2.6
309.12390	16.2
310.13055	5.7
311.13882	41.1
312.14587	2.3
313.15515	7.9
317.12637	2.0
319.10736	4.5
319.14185	1.6
320.11597	1.2
321.12341	15.3
322.13083	1.3
323.10327	1.9
323.13980	5.1
324.14508	1.3
325.11810	1.9
325.15414	2.3
335.13818	2.0
337.11627	6.6
338.12692	2.2
339.13364	11.9
340.14261	1.4
341.14981	3.6
342.16098	2.0
344.13962	2.2
344.17645	1.4
347.13812	2.1
351.13611	4.8
352.14301	1.9
353.10751	1.8
353.14966	14.7
354.16119	1.2
355.16608	3.3
357.14536	3.1
358.15726	2.5
365.15045	2.2
369.14813	9.8
370.15469	2.3
371.16049	18.5
372.17102	3.4
381.14487	2.4
383.16000	2.9
385.17630	1.4
386.18741	3.2
395.15894	3.2
399.15982	1.7
400.16611	2.0
405.14478	1.6
407.16031	1.3
411.15491	3.9
413.17096	7.1
414.18192	7.2
415.18393	1.3
416.19702	3.8
419.16055	3.0
423.15472	2.8
425.16986	2.9
427.18823	2.4
430.17578	1.8
431.17810	1.1
432.19098	4.2
435.15509	6.0
436.15979	1.5
437.17010	7.5
440.16000	1.6
441.16663	3.9
442.17657	4.1
447.15475	2.1
453.16623	6.9
455.18152	15.8
456.19025	1.2
457.19733	2.4
459.17728	2.2
460.18533	4.6
462.20172	1.3
463.15073	4.6
465.16553	8.8
467.18024	2.9
471.17709	2.7
473.19263	5.5
474.20346	8.2
479.17581	1.9
481.16150	7.5
482.16916	3.4
483.17633	16.8
492.21289	8.1
494.22742	1.8
495.17783	3.0
497.19174	10.0
501.18686	4.0
502.19876	1.6
513.18768	16.8
514.19318	2.2
515.20245	31.8
517.21307	1.4
530.22876	1.2
531.23364	1.8
534.22473	14.7
540.21185	2.8
542.22815	3.7
557.21173	5.2
558.22498	6.2
559.22656	6.1
560.24017	3.0
562.22772	1.3
568.21301	6.3
576.23077	3.5
586.21802	23.7
587.22174	1.8
588.23749	6.7
589.23932	7.4
591.25470	25.0
594.24585	1.8
600.23413	38.1
601.24371	10.2
602.24915	4.5
604.22894	17.3
606.24060	4.2
618.24438	56.2
619.25256	23.1
620.25952	14.7
622.24066	4.1
624.25543	1.8
636.25513	100.0
637.26337	6.3
638.27045	3.2
643.27148	1.3
654.26593	4.7
655.26984	3.3
663.28137	1.3
675.30133	2.6
680.28156	26.1
681.28400	3.5
691.26984	2.0
698.29095	10.5
709.28662	12.6
712.30835	33.6
723.30206	23.6
727.29272	3.8
741.18982	1.8
741.31323	32.6
745.30029	3.6
759.31635	3.9
777.33093	6.2
821.35602	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	853.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97322	0.9
61.02913	1.2
63.48330	0.9
65.03938	1.8
67.05497	4.6
69.03431	8.6
69.07057	3.0
70.06554	1.3
71.04990	1.2
73.02915	1.4
79.05496	3.2
81.03428	7.9
81.07072	1.9
83.04982	1.4
85.02902	7.7
85.06557	1.2
85.47330	0.9
86.09704	1.5
87.06738	2.9
88.38577	1.0
91.05466	6.2
93.07065	2.1
94.06591	2.4
95.04981	1.8
95.08610	2.2
97.02894	6.8
99.04468	1.2
105.07040	2.0
107.04955	1.5
107.08615	1.7
108.08104	8.1
109.02904	4.0
111.04450	1.1
115.03852	0.9
117.03372	1.6
119.04958	3.0
119.08588	1.4
120.04481	1.8
120.08099	3.0
121.10162	1.1
122.06045	11.1
123.04413	2.4
124.03992	1.3
124.07610	1.8
127.03960	4.9
131.04921	1.4
132.08090	1.2
133.06519	1.6
133.10207	1.8
134.06023	1.6
136.07578	6.5
137.05997	4.2
138.09154	1.6
140.07086	4.6
143.05644	60.0
144.06021	1.1
145.02856	2.4
145.06145	1.2
145.10172	1.4
146.06050	4.7
146.09506	1.0
147.03323	1.0
147.04433	3.6
148.07564	10.8
149.06042	1.1
150.05511	1.1
150.09164	3.0
151.03938	1.5
152.07079	2.1
158.06096	1.1
160.07593	2.5
161.05995	1.5
164.07106	2.4
165.05417	1.3
166.08707	2.8
167.07051	16.1
172.03961	2.6
174.05565	4.5
174.09196	1.3
175.03964	2.7
177.05504	5.4
181.04985	4.6
188.07280	1.3
190.05057	3.6
191.07063	1.9
192.06534	1.5
195.09209	2.0
198.09064	1.3
199.06290	1.1
200.07199	1.2
202.08592	1.3
204.06612	3.6
207.06506	7.3
208.09767	1.5
209.10715	1.3
210.09218	1.2
210.11490	1.7
211.08615	1.9
211.12280	2.1
213.10222	2.6
221.10756	1.9
222.11475	2.7
223.08717	3.5
223.12198	6.8
224.12939	2.2
225.10249	9.6
225.13704	5.0
226.08456	1.1
226.10889	1.7
227.08270	2.4
227.11783	4.2
233.10745	1.5
234.08969	1.0
234.11211	1.4
235.08667	8.4
235.12321	2.9
236.09303	7.8
236.13014	1.8
237.10172	10.3
237.13826	7.1
238.10983	13.5
238.14554	1.9
239.11806	18.8
239.15535	1.3
240.12601	5.9
241.09662	1.1
241.13292	5.2
243.11333	1.9
247.12334	2.1
248.10861	2.7
248.13034	1.8
249.10214	11.7
249.13919	2.4
250.10963	21.9
251.08148	4.0
251.11789	61.5
252.10240	1.7
252.12500	9.8
253.09705	4.2
253.13358	19.5
254.14235	3.7
255.11281	1.2
255.14906	1.2
261.10178	1.3
262.08652	1.3
262.11194	2.2
263.11755	20.6
263.14410	1.2
264.08917	2.2
264.12558	5.1
265.09811	8.4
265.13361	77.1
266.10529	8.9
266.14127	5.1
267.11322	8.8
267.14798	8.2
268.12000	2.8
269.12958	2.5
275.11783	3.5
276.10086	1.3
276.12665	1.8
277.09811	3.6
277.13419	3.5
278.10294	8.7
279.11276	31.9
279.14328	1.6
280.12186	5.2
281.12900	11.1
282.13727	1.5
283.10846	3.5
283.14243	2.1
284.11597	2.7
285.12399	4.3
287.05505	2.3
291.11334	9.0
292.12149	5.1
293.09445	1.4
293.12817	36.3
293.16122	1.8
294.13608	3.8
295.10709	3.2
295.14438	13.6
296.11572	3.9
297.12442	8.2
298.13159	3.2
299.13864	5.8
303.11072	1.5
305.12946	2.2
307.11057	2.1
307.14182	1.8
309.12280	8.2
310.12958	5.9
311.13916	41.5
312.14450	2.5
313.15591	9.2
319.10773	4.5
320.11612	1.6
321.12439	18.4
321.16095	2.2
322.13162	1.5
323.13864	3.7
325.15469	2.1
337.11777	4.7
338.12375	1.4
339.13440	17.9
341.15088	4.0
347.13678	1.5
349.11673	1.3
351.13412	2.9
353.14951	24.4
355.16769	5.2
357.14374	1.6
367.16870	1.2
369.14502	4.2
371.16046	30.8
372.16974	3.3
381.14490	4.4
383.16162	1.6
391.16891	1.1
395.15826	2.3
397.17526	3.1
400.16376	1.6
411.15588	1.7
413.17215	8.5
414.18268	3.3
419.15921	2.5
421.17554	3.8
423.15555	3.4
427.18686	3.4
432.18753	2.4
433.19849	1.1
434.20761	1.2
435.15610	1.6
437.17023	12.6
439.18491	6.1
441.16565	4.7
442.17694	3.8
443.17661	1.8
447.15677	2.6
451.14514	1.2
453.16846	2.7
455.18243	20.9
457.19687	4.6
459.17429	1.2
460.18695	2.8
462.20331	2.0
463.15182	4.0
465.16632	25.9
466.16901	1.6
473.19131	4.9
474.20361	6.6
479.17746	2.9
480.21606	2.5
481.16202	5.3
483.17642	39.0
484.18338	1.8
492.21246	3.6
494.22772	14.7
495.17490	4.3
497.19202	58.1
498.19791	1.6
501.18961	4.9
513.18793	10.3
515.20251	84.0
516.20514	1.7
522.22394	1.5
523.20465	2.2
531.23401	1.4
534.22528	2.7
535.15070	3.7
540.21326	2.2
541.22101	2.5
542.22955	1.8
557.21094	2.4
558.21991	2.8
559.22906	27.6
560.23743	2.6
568.21277	5.5
583.25800	5.9
586.22064	9.7
587.22113	1.7
588.23425	9.5
589.23749	6.1
591.25458	100.0
600.23419	10.8
601.26208	1.9
604.23083	9.6
605.23230	2.2
606.24457	9.7
615.28467	7.0
618.24438	21.5
619.25330	11.3
620.25873	6.0
622.24103	4.0
623.24384	1.4
624.25299	7.0
636.16010	1.7
636.25568	21.9
637.26123	5.8
638.27332	4.9
655.27026	4.5
656.27545	3.4
675.29913	1.8
680.27979	4.3
691.26648	1.6
709.28503	8.0
712.30676	11.2
723.30273	3.9
727.30341	5.2
741.31439	11.2
745.31073	4.9
759.32318	2.4
777.32971	1.9
803.34363	1.7
821.34595	1.5
853.28113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	6.4
69.03419	5.5
69.07058	2.6
70.08390	2.7
70.08790	3.0
71.04986	1.5
73.02919	2.0
79.05492	2.1
81.03417	8.0
81.07095	1.3
85.02898	5.7
91.05476	2.9
94.06570	5.2
95.04956	3.3
97.02879	3.4
108.08103	7.3
109.02884	4.0
111.04440	1.3
120.04501	2.6
120.08129	3.5
122.06034	19.4
123.90595	1.4
127.03921	3.7
132.08076	1.6
134.06033	3.8
136.07591	9.7
140.07050	4.0
143.05643	14.2
146.06032	4.5
147.04387	1.4
148.07582	9.2
149.42398	1.3
150.09193	2.7
152.07079	2.7
160.07562	1.4
164.07001	3.1
166.08643	3.9
167.07053	3.7
174.05501	5.0
174.09145	2.0
175.03882	1.6
182.09683	1.6
186.09175	1.4
190.04976	1.5
196.07570	1.7
199.08640	1.7
204.06546	1.4
207.06491	3.1
208.09782	1.7
210.09348	1.3
210.11435	2.6
211.12276	3.3
213.10310	3.1
221.10696	2.3
222.11436	2.8
223.08696	7.7
223.12292	7.5
224.13104	3.5
225.10185	23.5
225.13849	3.5
226.11023	3.7
227.11819	7.3
229.53911	1.4
232.09846	1.5
233.08463	1.3
233.10733	2.1
235.08714	5.5
235.12300	3.7
236.09271	6.4
236.12999	1.8
237.10240	18.8
237.13857	7.3
238.11008	14.0
239.11778	22.8
239.15398	1.9
240.12564	9.1
241.09773	1.7
241.13330	3.8
247.12396	2.9
248.09335	3.6
248.13104	2.2
249.10225	20.4
249.13957	2.9
250.08447	2.1
250.10957	20.2
251.08092	5.0
251.11778	62.5
252.12535	12.1
253.09731	4.6
253.13382	22.5
254.14215	3.6
261.10040	2.3
262.11105	2.9
263.07971	1.7
263.08820	2.4
263.11804	35.6
264.08917	1.8
264.12534	8.2
265.09784	14.5
265.13367	71.1
266.10489	8.8
266.14011	6.6
267.11429	9.4
267.14780	7.1
268.11981	3.8
269.12769	3.7
274.11157	1.8
275.11826	3.8
276.10110	1.7
276.12686	2.0
277.09796	5.1
277.13153	6.2
278.10376	9.2
279.11267	41.0
279.14334	1.7
280.12027	9.5
281.12756	9.1
283.10800	8.4
283.14099	2.7
285.12384	5.0
287.05606	1.7
289.13361	2.0
291.11292	12.1
291.14258	1.7
292.12100	5.3
293.09662	1.8
293.12817	34.9
294.10385	1.3
294.13623	5.2
295.10751	4.0
295.14410	12.6
296.11566	4.8
297.12363	11.7
298.13168	5.4
299.13885	9.8
300.15213	1.5
301.13177	1.6
303.11319	1.6
305.09305	1.7
305.12732	3.4
307.11029	2.6
307.14096	1.7
309.12372	18.2
310.13019	5.3
311.13879	45.7
312.14572	2.9
313.12192	2.1
313.15472	9.2
317.13004	1.6
319.10767	7.1
319.14297	2.0
320.11481	2.0
321.12317	13.5
323.13760	7.1
324.14719	1.5
325.11801	1.7
325.15710	2.2
337.11826	5.8
337.15613	2.3
338.12552	2.7
339.13425	12.5
341.14981	4.8
344.13959	2.4
351.13483	7.9
352.14056	2.6
353.14960	14.0
355.16663	4.5
357.14590	4.3
358.15546	2.1
360.17081	1.9
365.15024	2.4
369.14810	9.1
370.15384	3.0
371.16043	21.6
372.17075	2.9
381.14627	3.4
383.15985	3.1
386.18927	2.7
387.16000	1.7
394.14609	1.9
395.16132	2.8
398.18872	1.5
399.15628	1.8
400.16666	2.2
402.17993	2.2
411.15521	5.4
413.17151	10.9
414.18051	6.8
416.19547	5.4
419.15891	3.4
423.15518	2.0
425.17004	1.6
432.18945	6.1
435.15494	4.3
437.17108	7.2
440.15710	2.2
441.16528	5.0
442.17612	5.5
443.18427	3.1
447.15399	4.4
453.16470	7.5
455.18079	15.2
460.18719	5.5
463.15002	4.8
465.16370	8.6
466.17371	1.5
467.18167	2.4
471.17334	3.0
473.19165	5.6
474.20074	12.4
478.17560	2.4
479.18082	3.7
481.16141	9.0
482.16891	4.4
483.17743	17.3
485.19626	1.8
492.21457	9.7
494.22668	2.4
495.17450	2.4
497.18964	9.4
498.20142	1.4
501.18484	6.0
502.18924	1.7
513.18658	15.9
514.19629	3.3
515.20300	34.5
516.20972	2.2
522.22314	1.4
533.21021	2.1
534.22162	18.2
540.21368	2.9
542.22400	3.8
557.20886	3.4
558.22192	6.7
559.22815	4.8
560.23969	1.8
568.20685	10.0
576.23273	4.9
583.25110	1.6
586.21863	23.6
588.23224	5.7
589.23853	9.7
590.23822	1.8
591.25415	28.4
600.23468	38.0
601.24182	13.9
602.24591	5.8
604.22748	17.2
606.24127	5.1
618.24475	48.7
619.25153	25.7
620.26178	11.6
622.23651	2.3
624.25018	2.8
636.25494	100.0
637.25806	4.4
638.27222	3.1
654.26172	3.4
655.27185	3.1
662.26929	1.5
675.29700	4.4
680.28174	26.0
681.28979	2.2
691.27417	3.5
698.28687	5.6
709.28088	10.8
712.18311	2.3
712.30719	44.7
723.30200	25.2
727.29730	3.5
741.18964	2.0
741.31299	33.3
745.30365	3.3
759.31750	5.1
777.32892	5.3
821.36353	1.7
825.38214	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.0
67.05505	41.7
69.03432	8.9
69.07069	22.6
71.04990	3.9
77.03931	1.1
79.05497	31.7
81.03413	7.4
81.07057	38.8
83.04986	7.7
83.08620	11.2
85.06538	3.4
91.05482	39.5
93.07044	26.5
93.07633	1.5
95.01352	1.2
95.04967	11.7
95.08609	14.3
97.02895	5.2
97.06546	5.9
97.10172	8.2
98.21673	0.8
99.04469	1.3
103.05514	1.4
105.07034	30.9
107.04938	8.7
107.08595	25.4
109.06520	5.2
109.10155	31.0
111.04449	1.2
111.08092	2.2
113.05992	1.4
117.07031	8.3
119.04967	1.7
119.08585	14.4
121.06484	6.4
121.10152	6.9
123.08076	4.2
123.11711	6.1
125.09635	7.5
127.03940	1.1
127.07564	1.5
128.06261	1.7
129.07028	5.6
130.07878	1.3
131.08554	12.9
133.06500	4.4
133.10132	43.0
134.07271	1.3
135.08049	7.3
135.11690	4.4
135.42902	0.9
136.06194	3.4
137.06009	1.1
137.09615	2.8
143.08577	5.7
145.06442	1.0
145.10121	8.0
146.07335	1.1
147.08066	7.0
147.11697	3.7
149.09634	4.2
149.13251	1.5
151.11180	18.5
157.10133	3.5
159.08083	1.6
159.11702	2.6
161.09605	4.9
161.13292	1.8
162.10449	1.3
163.11212	2.1
165.09068	2.0
169.12270	3.9
171.11766	2.7
173.09698	1.2
173.13214	0.9
175.11227	3.8
177.09106	1.9
179.10638	1.7
185.13200	1.8
189.11258	3.3
189.12778	1.3
205.12357	1.4
215.12775	2.2
223.13300	13.7
227.12811	3.8
227.18034	2.3
245.18997	3.1
249.14954	2.9
251.12704	2.1
253.14349	80.3
255.17464	2.9
263.20120	3.3
267.15894	1.1
273.18484	29.8
291.19553	100.0
309.20599	2.0
329.21420	1.2
347.22159	7.6
365.23276	47.8
378.18661	0.9
543.32965	5.2
559.32794	1.5
561.34253	18.9
575.35785	1.8
637.40991	8.2
655.41962	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	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.1
67.05502	18.4
69.03432	7.1
69.07069	22.4
71.04984	1.1
77.03880	0.3
79.05493	17.8
81.03413	4.6
81.07054	16.4
83.04978	3.4
83.08616	7.1
85.02894	0.6
85.06542	1.0
91.05478	13.1
93.07043	13.1
94.04161	0.6
95.01310	0.5
95.04969	7.2
95.08043	0.6
95.08605	7.7
97.02888	8.2
97.06532	3.4
97.10171	10.5
103.05458	0.5
105.03408	0.5
105.07027	11.3
107.04951	7.4
107.08597	10.5
109.02887	0.8
109.06531	1.9
109.10151	6.0
111.04437	0.9
111.08076	2.0
115.05453	1.0
116.06261	0.4
117.07015	5.0
119.04944	1.5
119.08575	9.4
121.06503	3.2
121.10142	3.5
123.04415	0.5
123.08057	2.5
123.11728	0.5
125.09627	8.3
128.06226	1.2
129.06993	3.0
130.07799	0.7
131.08566	6.5
133.06482	3.5
133.10123	4.0
134.07257	1.5
135.08040	3.0
135.11707	2.2
137.09618	1.7
139.11108	0.4
143.08572	2.6
145.06488	1.1
145.10124	4.0
147.08035	5.4
147.11661	2.4
149.09579	1.5
149.13260	1.8
151.11188	0.7
153.09131	0.8
155.08618	0.4
157.10144	2.5
159.08037	0.6
159.11696	2.6
161.09619	2.5
161.13307	0.5
162.10384	1.0
163.11177	2.0
165.09122	1.2
169.10158	0.7
169.12160	0.6
171.10280	0.8
171.11713	1.1
173.09604	0.8
173.13298	0.6
175.11174	2.8
177.12718	1.2
179.10672	0.6
183.11795	0.4
185.09596	0.4
185.13292	0.6
187.11279	0.7
189.11206	3.7
189.12718	0.8
193.12210	1.2
195.11696	0.4
195.13776	1.4
203.14455	0.4
205.12273	1.8
211.13248	0.5
212.27728	0.4
216.70831	0.4
221.11774	0.5
223.13283	16.7
227.12762	4.9
227.17883	0.7
245.19011	1.4
249.14906	4.8
255.17542	1.1
261.14484	0.4
262.15582	0.4
263.16681	0.4
263.20010	0.8
267.15994	1.3
273.18475	14.4
276.19608	0.4
289.18039	0.8
291.19534	100.0
292.19769	1.6
297.16757	0.5
309.20761	0.6
347.22186	2.8
363.21857	0.6
365.23224	44.6
366.23550	1.0
535.32800	0.6
557.34796	2.0
573.34277	0.7
575.35590	1.4
587.36127	0.8
597.37476	0.5
637.40765	2.2
655.42035	42.7
656.42548	1.7
670.71558	0.4
673.42474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05651	0.2
60.54158	0.1
65.03951	0.6
67.05499	0.4
68.99794	0.3
69.03428	0.7
69.07071	0.2
69.58049	0.3
69.58452	0.7
70.06602	0.1
71.04989	0.2
73.02914	0.2
73.04059	0.1
77.03932	0.1
79.05489	0.4
81.03418	0.9
81.07050	0.7
83.02464	0.1
83.04986	0.3
83.08617	0.1
85.02902	0.7
87.00857	0.2
87.06716	3.7
89.03915	0.2
91.05481	10.5
92.05784	0.1
93.03394	0.1
93.07034	0.4
95.04974	0.2
95.06032	0.1
95.08601	0.3
97.02901	0.7
99.04445	0.1
101.03485	0.2
103.05478	0.2
105.03423	0.2
105.07075	0.5
107.04957	0.3
107.08593	0.4
109.02888	1.0
109.06492	0.1
109.10162	0.2
111.04367	0.1
111.06676	0.1
113.04621	0.3
114.06661	0.1
115.05457	0.1
115.06186	0.1
117.03393	0.4
118.04170	0.1
119.04951	4.4
119.08582	0.3
121.02869	0.2
121.10126	0.3
122.05984	0.1
122.07121	0.1
123.04449	0.3
123.11768	0.2
125.04542	0.2
126.03023	0.2
127.03925	1.0
129.01833	0.2
129.03326	0.1
129.06999	0.1
131.04930	0.3
131.08528	0.2
132.02048	0.2
133.06491	0.3
133.10152	0.2
135.04399	0.3
135.08037	0.1
135.11598	0.1
136.07452	0.1
137.05975	0.7
137.06932	0.1
141.04073	1.0
142.04868	1.1
143.05644	100.0
144.05984	0.5
145.02835	0.9
145.04907	0.2
145.10170	0.1
147.03223	0.2
147.04411	4.1
147.11705	0.5
149.02382	0.1
149.06021	0.3
149.09613	0.2
151.03850	0.2
151.07594	0.1
153.01797	0.2
155.05669	0.2
157.03923	0.3
157.06529	0.1
159.02942	0.1
159.08060	0.1
160.07167	0.2
161.05959	0.4
163.03859	0.1
163.07542	0.1
165.05585	0.1
165.07048	0.1
165.12758	0.1
167.05702	0.4
167.07036	4.5
168.05963	0.1
171.02725	0.1
175.03918	6.8
176.04361	0.1
177.05487	1.8
178.05823	0.1
179.07043	0.3
181.04948	0.7
185.06779	0.7
187.07571	0.2
189.09077	0.1
191.03542	0.1
191.06981	0.2
193.08647	0.4
195.08066	0.2
201.05505	0.2
207.06529	10.3
208.06886	0.2
211.07820	0.2
211.09509	0.5
213.03972	0.2
219.06409	0.2
221.08067	0.2
231.04819	0.2
233.10326	2.5
245.07985	0.1
249.07573	0.2
251.05457	0.3
255.10095	0.2
267.15900	0.7
269.08441	0.2
283.05899	0.2
285.16910	0.1
287.05499	6.8
287.08789	0.3
288.05774	0.1
291.08643	0.6
297.07611	0.3
297.11154	0.2
299.05518	0.2
301.07013	0.2
305.10941	2.2
315.08496	0.7
349.11359	0.2
357.08051	0.2
373.09909	2.9
391.10757	0.6
419.09351	0.2
429.21268	0.5
433.12070	2.0
437.10739	0.1
481.11734	0.1
499.13254	0.8
517.14166	3.0
535.15179	1.1
539.75543	0.1
545.12738	0.1
577.12115	0.2
581.14813	0.3
599.15985	0.9
643.20764	0.5
661.13867	0.2
679.14954	0.2
705.18970	0.2
723.20105	0.5
741.20953	1.9
789.84338	0.1
798.38043	0.1
799.41034	0.1
849.26080	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05643	0.2
61.02930	0.1
62.45772	0.1
65.03940	0.6
67.05503	0.1
68.99797	0.2
69.03432	0.6
70.04067	0.1
73.02915	0.1
73.04021	0.1
77.03925	0.1
81.03414	0.7
81.84628	0.1
83.02453	0.2
85.02906	0.4
85.31247	0.1
87.00829	0.1
87.06711	3.9
89.03913	0.2
91.05476	10.8
91.76953	0.1
92.05818	0.1
92.54398	0.1
97.02917	0.3
98.03491	0.1
98.20714	0.2
99.04445	0.1
101.03496	0.2
103.05433	0.1
105.03436	0.1
105.07050	0.1
106.81731	0.1
109.02862	0.6
111.04366	0.1
112.96886	0.1
113.04578	0.4
115.05447	0.2
115.06200	0.1
118.04180	0.1
119.04941	4.4
123.04389	0.1
125.02330	0.1
125.03391	0.1
125.04584	0.2
126.03011	0.3
127.03911	0.9
129.01839	0.2
132.02133	0.1
133.02837	0.1
133.06497	0.1
137.05994	0.3
141.01891	0.1
141.04068	1.2
141.07097	0.1
142.04877	1.2
143.05637	100.0
144.06116	0.4
145.02870	0.1
147.04405	4.0
149.02350	0.2
153.01860	0.1
155.05663	0.1
157.03987	0.3
161.06087	0.2
164.04765	0.2
167.05646	0.4
167.07051	0.3
169.06445	0.1
175.03900	7.5
176.04315	0.1
177.05377	0.2
179.06990	0.4
179.11549	0.1
181.04968	0.3
181.07213	0.1
185.06708	0.6
187.07533	0.1
198.11746	0.1
207.06520	11.3
208.06813	0.2
209.06772	0.2
211.07552	0.1
213.03790	0.1
213.05663	0.1
216.07727	0.1
217.05020	0.1
219.06680	0.1
229.44193	0.1
230.05733	0.1
233.10324	2.1
245.08115	0.2
249.07516	0.2
251.05489	0.3
251.07838	0.1
255.04958	0.1
256.07275	0.1
263.09186	0.1
269.08432	0.1
273.07755	0.1
287.05508	0.4
287.09009	0.2
291.08649	0.5
297.07608	0.1
297.11090	0.1
305.10895	2.2
315.08603	0.5
333.09741	0.1
337.07736	0.1
349.11288	0.2
357.08368	0.1
373.09882	2.6
391.10901	0.6
395.15472	0.1
419.09512	0.2
433.06140	0.1
433.11969	2.4
437.10760	0.2
469.29092	0.1
481.11575	0.1
493.14432	0.1
497.12097	0.1
499.13217	0.9
517.14172	3.4
535.15277	1.3
556.27631	0.1
563.13647	0.2
581.14703	0.3
599.15912	0.9
643.20776	0.7
705.18811	0.2
723.10486	0.1
723.19812	0.7
741.20856	2.4
743.18182	0.1
818.17291	0.1
849.26819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	2.7
61.02922	8.7
65.03933	1.8
67.05499	70.4
68.05824	0.5
69.03424	2.2
69.07058	5.3
71.04986	3.3
73.02909	3.1
77.03948	0.3
79.05486	13.7
80.67663	0.3
81.03400	1.1
81.07050	28.5
83.04989	0.7
83.08615	6.0
85.02898	12.0
85.06535	1.9
86.97345	0.3
87.71613	0.4
91.03946	7.1
91.05467	9.7
93.07034	17.6
95.04967	1.7
95.08596	19.0
97.02883	6.0
97.06535	1.1
97.10162	1.5
98.21493	1.0
99.04465	0.6
99.08101	0.9
105.07014	6.6
107.07860	0.5
107.08588	10.2
107.29095	0.3
109.02888	0.6
109.06539	0.8
109.10148	62.0
110.10497	0.7
111.08068	2.6
113.09663	0.5
115.03944	0.5
117.07018	2.2
119.07711	0.3
119.08563	8.4
121.09299	0.8
121.10135	8.8
123.08064	0.7
123.11695	2.8
125.09615	1.5
127.03924	3.3
127.11163	0.5
131.08554	4.7
133.10123	4.3
135.11687	6.1
137.09581	3.1
137.13249	1.4
139.11116	0.5
144.06602	0.4
145.04945	3.4
145.07495	0.3
145.10109	3.1
147.11653	2.5
147.45395	0.3
149.13245	3.9
155.10641	3.3
157.10132	0.5
159.11652	2.7
161.13235	2.0
163.06017	4.5
163.14816	2.7
171.11716	0.7
173.11752	20.5
173.13240	2.8
175.14844	0.9
177.12886	0.4
177.16393	1.2
185.13263	0.5
187.14807	1.6
189.11246	0.9
193.15955	0.4
199.14856	0.4
201.16301	0.6
207.36409	0.4
213.14882	0.4
227.12759	6.2
228.64426	0.4
229.14331	100.0
229.32358	0.5
230.14732	1.1
233.22646	0.6
243.21059	5.2
261.22128	16.7
262.22375	0.4
263.23740	0.6
279.23358	0.4
299.23651	0.4
317.24820	3.4
333.24136	0.5
335.25763	67.2
336.25977	0.7
377.26938	0.4
379.29758	1.4
397.31113	1.3
415.32245	2.1
433.33377	0.4
471.34607	2.3
489.35718	49.6
490.35837	1.8
507.36816	6.1
797.03705	0.4
848.50641	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	3.4
61.02922	12.2
65.03936	2.6
67.05498	100.0
68.05836	1.1
69.03428	3.1
69.07059	7.8
69.89761	0.7
69.90177	1.7
71.04997	3.5
71.08629	0.5
73.02911	3.4
77.03933	0.6
79.05486	21.7
81.03422	1.2
81.07050	39.8
82.07391	0.7
83.04965	1.1
83.08606	8.5
85.02897	13.5
85.06539	3.5
87.04411	0.4
91.03949	9.2
91.05470	14.4
93.07034	28.0
94.07372	0.4
95.04961	2.9
95.08598	26.9
97.02886	7.6
97.06528	1.7
97.10164	2.5
97.55938	0.4
98.20837	0.5
99.04465	1.0
99.08086	1.2
103.03909	0.5
105.07024	8.6
107.07854	0.8
107.08584	16.6
107.09290	0.8
109.02830	0.6
109.06524	1.2
109.10145	81.5
110.10452	1.1
111.04429	0.4
111.08067	3.4
113.09607	0.6
115.03933	0.7
117.06989	2.9
119.08565	12.8
121.10136	11.9
123.08041	0.8
123.11693	3.6
125.09650	2.0
127.03909	3.9
127.11203	0.8
129.06981	0.5
131.08562	6.2
133.10118	5.7
135.08020	0.5
135.11676	8.6
137.09615	3.8
137.13217	1.3
139.11127	0.5
139.38098	0.4
144.06537	0.6
145.04938	3.2
145.10107	4.9
147.11671	4.0
149.13269	5.5
151.11115	0.6
151.14856	0.4
155.10675	3.6
157.10173	0.4
159.11693	4.6
161.13251	2.6
163.06004	4.0
163.14801	2.5
173.11758	22.1
173.13258	3.8
175.14841	1.7
177.16412	1.1
180.08775	0.4
187.14769	2.2
189.11218	1.1
189.16376	0.5
199.14825	0.6
201.16357	0.7
215.17892	0.4
227.12727	5.0
229.14330	94.3
230.14711	1.8
233.22673	1.1
243.21082	6.5
259.20447	0.7
261.22113	22.5
263.23712	0.6
272.90906	0.3
279.23224	0.5
299.23846	0.5
317.24695	3.2
333.23886	0.6
335.25769	76.2
336.26181	2.7
369.24329	0.4
373.18665	0.6
379.29858	0.9
397.30948	2.0
409.29568	0.4
415.32278	1.0
449.32932	0.4
471.35214	1.8
472.35016	0.4
489.35712	76.0
490.36038	3.1
507.36853	6.3
508.36926	0.5
569.84045	0.4
848.50635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.5
67.05512	5.3
67.47905	0.6
69.03438	2.6
69.07071	1.6
71.60465	1.1
73.02925	5.0
73.13269	0.6
79.05502	3.4
81.03419	1.7
81.07054	5.7
83.08643	1.0
85.02911	5.1
91.03987	3.6
91.05491	2.9
93.06574	0.7
93.07050	4.4
95.04969	0.8
95.08611	3.3
97.02897	6.0
97.10176	0.9
99.04473	1.3
101.02401	1.1
103.03958	1.5
105.07047	1.9
107.08610	2.5
109.02966	0.6
109.10207	2.1
115.03934	0.8
117.07034	0.7
119.08621	1.2
121.10153	1.1
123.11694	0.7
127.03957	0.8
128.40768	0.6
135.11742	0.8
141.28691	0.7
152.67220	0.6
155.40948	0.6
159.11803	0.7
168.51585	0.8
231.11073	0.7
243.08597	2.8
305.81445	0.7
335.25833	0.7
351.21530	2.6
405.13965	0.8
482.12698	0.9
519.29303	7.2
569.29572	3.5
591.21381	0.8
832.58978	0.8
847.51770	100.0
848.52051	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	845.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02774	3.0
61.03121	2.1
67.03612	0.5
67.05346	3.0
67.05738	1.4
69.03267	2.4
69.03672	1.2
69.06927	1.3
69.07285	1.1
69.41407	2.8
69.41837	2.8
70.90311	0.6
73.02760	2.3
73.03209	1.1
79.05311	4.0
79.05812	1.1
81.03257	1.4
81.03675	0.6
81.06871	3.8
81.07389	1.2
83.04812	0.9
85.02717	3.8
85.03274	1.1
91.03764	3.2
91.05284	4.8
91.05917	1.5
93.06847	4.5
93.07484	1.1
95.04804	1.5
95.05329	0.6
95.08406	2.6
97.02686	2.9
97.03362	1.2
97.10011	0.7
101.02194	1.6
103.03806	0.8
104.16101	0.7
105.06814	3.1
105.07587	1.0
107.08380	2.8
107.09154	1.3
109.02710	0.7
109.06288	0.6
109.09990	0.9
117.06889	1.3
119.08350	3.0
121.00644	0.7
121.09966	1.5
127.03760	0.8
129.05293	1.0
129.06866	1.3
131.08412	0.9
133.09868	2.1
135.11475	1.4
145.04858	0.7
145.10028	0.8
147.11505	1.7
159.11462	0.8
159.19202	0.6
161.13075	1.1
163.08417	0.6
171.11534	1.7
172.91228	0.6
185.03957	2.0
186.15413	0.6
194.56816	0.7
243.08459	5.1
244.93663	0.8
247.12778	1.7
259.20538	1.3
287.16080	0.9
293.01016	0.6
301.08618	2.8
301.11844	0.7
315.10352	1.3
317.20615	1.4
371.16855	1.4
373.10892	0.9
385.18011	1.0
413.75211	0.7
435.19907	0.9
453.20679	0.9
465.14795	1.0
465.20972	15.1
481.20935	0.7
495.21451	1.3
516.33405	0.6
524.23102	0.7
525.23059	0.8
533.27008	1.7
535.28833	14.0
537.22852	1.7
551.27661	2.2
597.37555	1.6
607.30908	1.5
677.35248	0.7
689.35291	4.3
707.36298	1.8
729.41968	2.9
737.84229	0.7
741.40625	0.9
747.42865	4.9
758.42230	0.9
759.42914	100.0
760.43311	1.9
772.27179	0.8
827.49127	10.6
845.49774	35.5
846.49335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09012	2.0
64.46313	2.4
69.28196	27.5
77.58159	2.3
125.48115	2.5
140.23994	2.4
182.31787	2.3
194.84340	2.4
300.37109	2.1
389.37466	2.6
558.75189	3.2
618.28003	2.4
721.58673	2.6
759.27155	5.1
759.40790	100.0
760.40277	4.8
787.53485	3.1
845.47650	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	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02641	0.3
61.02929	4.7
61.37038	0.2
65.03924	0.4
67.05505	4.2
69.03427	2.6
69.07068	2.2
70.66643	0.3
70.66972	0.6
71.01350	0.6
71.04985	0.8
72.22909	0.2
73.02916	2.7
78.39884	0.2
79.05048	0.5
79.05489	5.3
81.03415	1.8
81.07056	4.7
83.04990	0.7
83.08636	0.8
85.02900	4.0
85.06525	0.5
87.04459	0.3
91.03957	2.1
91.05473	3.8
93.07040	5.1
95.04960	1.3
95.08592	2.7
95.09064	0.3
96.01851	0.3
97.02898	3.6
97.06544	0.4
97.10207	0.4
99.04451	0.6
101.02399	1.5
105.07041	3.6
107.05002	0.3
107.08588	2.4
109.02921	0.6
109.06536	0.4
109.10172	1.0
111.08125	0.4
115.03931	0.3
117.07052	1.1
119.08596	2.6
120.23818	0.2
121.10135	1.6
125.09684	0.3
127.03942	1.1
129.05519	0.3
129.07027	0.7
131.08559	1.4
133.10167	2.1
135.11716	1.1
137.09630	0.3
143.08614	0.5
145.10144	0.8
147.11722	1.5
157.10144	0.5
159.11703	0.6
161.13266	0.6
171.11716	0.5
173.13283	0.3
175.14926	0.3
185.04228	1.0
196.45885	0.3
201.03625	0.4
215.89632	0.3
243.08408	3.5
243.80428	0.3
259.20642	0.5
301.08981	1.6
313.09082	0.5
315.10544	0.9
317.20901	0.4
333.20450	2.8
341.11951	0.4
343.28775	0.3
355.13882	0.5
357.15558	0.4
373.11240	0.6
373.23535	0.6
383.17001	0.3
385.18152	0.3
389.23169	0.3
423.20352	0.3
431.24414	0.6
439.19421	0.3
453.21109	0.6
465.21103	1.1
465.27542	0.3
469.21112	0.3
481.20840	0.4
517.28033	0.3
535.28821	7.0
551.28296	6.5
573.82068	0.3
623.30450	1.2
665.45447	0.4
683.44440	0.3
707.39410	0.5
845.50153	100.0
846.50964	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.8
66.26204	0.7
67.05502	1.3
69.07038	0.8
73.02914	1.0
79.05499	0.9
81.03444	0.8
81.07075	1.5
85.02897	1.2
95.08644	0.9
95.85435	0.8
98.91387	0.8
109.76575	0.9
134.69110	0.9
174.11916	0.8
241.76505	0.9
436.14111	0.9
439.19363	1.4
492.88965	0.8
519.29285	2.6
717.41577	10.8
752.23224	0.9
759.43713	1.3
827.48077	1.1
845.48224	100.0
846.48676	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
65.11710	0.8
67.05507	3.2
69.03438	2.0
69.92628	5.2
71.04974	1.1
73.02888	1.5
76.03545	1.0
76.30441	0.8
79.05483	1.1
81.03422	1.3
81.07066	3.1
93.07044	1.4
95.08601	1.6
97.02858	1.2
127.03930	1.4
142.69557	0.8
254.78954	1.0
441.21411	1.0
519.29803	1.7
535.27094	1.5
547.37177	1.0
547.46991	1.2
717.41583	2.3
759.42834	1.2
845.48126	100.0
846.48132	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	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.7
65.03933	0.8
67.05505	16.4
68.05819	1.2
69.03430	3.4
69.07069	6.7
70.07419	0.5
71.01338	0.6
71.04978	1.3
71.60457	0.7
73.02916	2.0
79.05498	11.8
80.05832	1.2
81.03410	2.1
81.07057	16.1
82.07401	1.7
83.04983	1.3
83.08615	2.6
85.02914	3.7
85.06545	1.2
91.03963	2.0
91.05475	9.6
92.05803	0.9
92.38275	0.5
93.07048	12.6
94.07381	1.5
95.04965	3.2
95.08612	8.0
96.08939	1.8
97.02894	4.5
97.06531	1.3
97.10173	2.0
99.04457	0.6
101.02394	1.6
105.07027	7.1
106.07361	1.2
107.04953	0.6
107.08583	8.0
108.08924	1.0
109.02885	0.6
109.06490	0.8
109.10164	4.9
111.08082	1.0
112.88318	0.6
117.07014	2.1
119.08575	4.9
121.06496	0.9
121.10146	4.5
123.08072	0.9
123.11746	1.4
125.09650	1.5
127.03921	1.3
129.07014	1.1
131.08582	3.6
133.06444	0.6
133.10123	4.5
134.10446	0.6
135.11720	2.4
143.08620	0.6
145.10091	2.3
147.11681	3.6
148.12086	0.7
149.09644	1.2
149.13281	1.8
159.11783	1.7
160.52017	0.5
161.13269	0.9
163.11217	1.0
171.11748	0.6
173.13246	0.8
185.04210	0.6
213.14865	0.6
223.13379	1.6
227.12863	0.6
229.14403	2.0
230.14772	0.7
241.06949	0.6
243.08427	4.4
259.20682	0.9
261.22186	1.4
269.17422	2.9
270.17844	1.4
275.20065	2.6
276.20511	1.4
291.19644	1.9
293.21161	0.5
301.08881	1.1
315.10675	1.3
331.18936	1.6
335.25803	8.6
335.29434	0.8
336.26154	6.0
349.23834	2.2
350.24258	1.4
367.24908	1.2
368.25272	0.9
369.15125	0.6
451.19000	0.5
490.35956	1.1
529.38763	3.8
530.39276	7.0
535.28839	4.5
549.26666	7.7
609.45709	1.1
610.45514	3.0
621.29248	1.4
627.46106	0.9
628.46484	2.8
843.48566	100.0
844.49170	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	843.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37343	14.8
88.54006	1.7
97.87209	1.6
105.50309	1.7
106.80774	1.6
188.88123	1.6
211.66722	1.7
217.77661	2.0
399.20572	1.7
522.91754	1.7
843.46545	100.0
844.46930	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	843.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	4.7
65.03929	0.7
67.05508	5.9
69.03430	3.7
69.07071	2.4
71.01326	0.9
73.02922	3.5
73.30621	0.6
79.05507	5.6
81.03411	2.7
81.07047	4.8
83.08616	1.0
84.85831	0.8
85.02899	4.5
91.03957	3.0
91.05482	6.1
93.07046	5.7
95.04982	2.1
95.08600	4.9
95.28183	0.7
95.50721	0.6
97.02883	4.4
97.10178	0.7
99.04468	0.8
101.02383	1.4
103.52411	0.8
105.07036	4.8
107.04940	0.8
107.08575	3.8
109.06532	1.0
109.10178	1.5
115.03943	0.9
117.07019	1.3
119.08585	3.1
121.10145	2.0
127.03942	2.1
129.05502	0.9
129.07021	0.8
130.89822	0.6
132.13225	0.6
133.10152	3.1
133.31465	0.7
135.11710	1.3
137.31390	0.7
140.26404	0.6
143.08559	0.8
145.10146	1.5
149.09706	0.7
151.11295	1.0
157.10219	0.6
161.13278	1.1
171.11726	0.7
185.04230	1.1
193.12315	1.2
243.08496	3.2
258.78366	0.7
301.09100	1.3
313.08783	0.9
315.10617	1.9
331.18771	3.7
357.15274	0.8
365.75214	0.7
373.91113	0.8
385.18552	0.6
420.01627	0.8
422.58780	0.7
437.09909	0.8
451.19339	1.3
529.74097	0.6
531.25507	1.7
535.28839	9.3
549.26959	3.9
565.26294	1.0
577.55194	0.8
607.30493	1.2
692.65027	1.0
745.41583	2.5
825.47583	12.2
833.66260	0.9
843.48547	100.0
844.49298	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	842.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.5
63.75163	1.6
64.77953	1.7
65.03928	3.3
67.05502	94.0
69.03425	4.3
69.07069	24.7
71.04989	5.5
73.02922	3.7
79.05488	58.1
81.03410	5.3
81.07054	84.7
83.04969	5.2
83.08616	16.2
85.02905	6.1
85.06552	4.0
91.03985	2.1
91.05475	37.8
91.06016	3.2
93.07039	65.9
95.04954	11.3
95.08604	52.5
95.58698	1.7
97.02891	6.0
97.06532	7.5
97.10162	9.1
98.20685	2.7
101.02438	2.1
102.59313	1.9
105.07018	24.4
107.04968	3.3
107.08594	38.9
109.06528	6.8
109.10142	36.7
109.10823	2.8
111.08094	5.5
117.06977	9.2
119.08582	24.0
121.10138	26.2
123.08090	3.6
123.11721	6.4
125.09617	7.5
127.03901	1.9
129.06982	2.7
131.08575	17.6
133.10132	20.4
135.08044	2.7
135.11656	12.3
137.09622	2.7
139.11293	1.9
145.10107	15.9
147.11668	11.5
149.09639	5.6
149.13264	11.2
152.17206	1.6
159.11679	12.6
161.13268	6.3
163.11208	2.4
163.14771	1.8
165.12688	2.2
171.11674	3.5
173.11760	4.2
173.13278	6.5
175.11162	1.7
175.14909	3.3
185.13121	1.9
187.14769	2.9
189.11244	4.2
197.13129	2.0
227.12698	11.4
229.14337	26.4
229.36606	2.1
240.08566	1.9
243.08531	4.2
243.21115	3.5
245.13910	5.6
257.18997	4.9
261.22208	11.0
269.17447	17.2
275.20059	20.0
285.09882	1.6
291.19562	2.5
293.21155	2.5
317.24945	3.3
324.95337	1.8
331.18866	2.0
333.24326	2.2
335.25787	100.0
336.26321	2.1
349.23703	12.1
367.24713	13.0
373.19351	1.6
415.09512	1.7
421.22424	5.1
443.74658	1.9
469.33862	2.0
483.36130	3.0
489.35834	24.1
491.24408	2.2
495.28961	2.1
507.36609	2.8
511.38474	2.0
529.38879	54.9
533.27454	2.2
535.28577	5.0
549.26886	2.0
609.45056	31.1
627.46124	18.1
627.55859	2.9
727.24933	2.0
842.47021	7.5
843.48505	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	2.2
61.02907	2.2
67.05502	100.0
69.03431	4.6
69.07069	20.2
71.01293	1.5
71.04981	3.7
79.05054	3.1
79.05490	43.0
81.03397	4.9
81.07056	76.6
83.04984	4.7
83.08617	13.4
85.02897	5.4
85.06522	3.4
91.05474	30.7
91.59514	1.9
93.07040	52.5
95.04959	7.1
95.08607	43.4
97.02896	2.7
97.06525	7.7
97.10195	8.3
99.08060	3.0
105.07031	24.6
105.24283	1.6
107.04927	5.6
107.08592	38.8
109.06542	4.5
109.10149	51.7
111.08083	3.8
117.07015	10.9
119.08574	23.9
121.10133	24.1
123.08077	1.7
123.11703	7.6
125.09600	8.0
128.31029	1.7
131.08546	17.4
133.10117	15.9
135.08055	3.0
135.11664	11.6
137.09615	4.2
143.08551	1.9
145.10115	11.2
147.11678	11.5
149.09598	5.5
149.13257	10.4
155.08527	2.1
157.10124	2.2
159.11717	9.4
161.13229	6.9
163.11128	4.1
163.14790	2.0
169.10213	2.6
171.11612	1.8
173.11716	9.4
173.13248	6.3
175.14893	2.3
177.12842	2.3
177.16309	1.5
185.13235	1.9
187.11209	1.7
187.14873	1.9
189.11230	2.6
195.13861	1.9
199.14806	2.4
201.16316	1.9
227.12717	9.3
229.14319	50.9
229.19522	2.4
243.21123	4.0
257.18906	4.2
261.22168	13.4
269.17487	14.2
275.20056	23.5
279.23227	1.7
293.20917	2.1
308.27158	1.9
314.92316	1.6
317.24619	3.3
331.22641	2.4
333.24353	1.6
335.25790	82.8
336.26157	2.5
345.33551	1.5
349.23651	16.9
367.24667	15.3
437.34512	1.8
489.35742	37.1
507.36844	3.2
529.31769	1.8
529.38995	30.6
540.32483	1.9
609.36133	2.2
609.45197	27.2
627.46155	18.7
628.45526	1.7
681.41858	2.0
842.47479	4.5
843.48596	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	841.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39762	0.1
60.05639	0.2
61.02917	0.3
65.03942	0.3
67.05495	0.2
68.99770	0.2
69.03429	0.8
69.07062	0.2
71.59917	0.1
71.60332	0.2
73.04055	0.1
79.05484	0.2
81.03417	0.9
81.07050	0.3
83.02468	0.2
84.08163	0.1
85.02910	0.8
87.00834	0.1
87.06711	4.0
89.03906	0.2
91.05482	3.8
93.07042	0.3
95.04948	0.3
95.08600	0.3
97.02905	0.7
98.97573	0.1
99.04448	0.2
103.05457	0.1
105.07020	0.4
109.02879	0.9
109.10146	0.3
111.04448	0.1
111.06688	0.1
113.04603	0.3
115.05462	0.1
117.03357	0.2
119.04942	4.8
121.06502	0.2
123.04423	0.2
123.11700	0.1
125.04552	0.2
126.02996	0.3
127.03921	1.3
129.01842	0.3
131.04926	0.2
132.02063	0.2
133.02850	0.1
133.10060	0.1
135.04359	0.2
137.05946	0.3
141.04062	0.9
142.04878	0.4
143.05637	100.0
144.05954	0.5
145.02896	0.3
145.04987	0.2
145.06375	0.1
145.10146	0.2
147.03206	0.2
147.04401	4.3
149.02324	0.3
149.06009	0.1
153.42032	0.1
155.08525	0.2
157.03981	0.4
161.05998	0.2
163.03864	0.2
167.05646	0.4
167.07048	1.2
175.03899	7.4
176.04291	0.2
177.05487	0.6
179.06955	0.3
185.06720	0.6
187.07666	0.1
189.05557	0.2
193.08606	0.2
206.79619	0.1
207.06523	11.1
208.06813	0.2
209.06775	0.2
213.03856	0.2
219.06543	0.2
227.64644	0.1
245.08269	0.2
249.07564	0.2
251.05502	0.4
263.09131	0.3
271.06134	0.1
287.05551	0.3
291.08630	0.6
294.21237	0.1
297.07697	0.2
305.07642	0.2
305.10910	2.3
315.08548	0.6
349.11246	0.2
369.12210	0.1
373.09851	2.7
382.56100	0.1
391.10959	0.7
419.09698	0.2
433.11984	2.0
437.10724	0.1
499.13000	1.0
513.88214	0.1
517.14160	3.6
519.09375	0.1
535.15332	1.6
563.13232	0.1
581.14783	0.3
594.46478	0.1
599.16223	1.0
629.34778	0.1
635.23938	0.4
643.63287	0.1
705.18378	0.3
723.20679	0.6
741.20935	2.8
841.28333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	2.6
61.02918	4.3
63.45828	1.4
65.03937	5.7
66.04733	1.8
67.05506	100.0
69.03419	4.9
69.07070	60.9
69.39471	4.9
69.39896	9.0
71.04990	3.8
79.05495	66.6
80.05836	1.6
81.03404	5.0
81.07059	80.0
81.46154	1.5
83.04981	5.5
83.08619	10.9
85.02895	6.4
85.06528	5.3
91.03949	2.1
91.05485	56.5
93.07045	69.3
93.07635	3.7
95.04971	12.1
95.08607	63.4
97.02879	3.9
97.06528	15.6
97.10172	8.1
105.07037	40.1
107.04929	5.2
107.08600	36.3
107.77039	1.6
109.06490	5.7
109.10163	35.8
111.08096	5.3
117.07014	13.9
119.08580	34.3
121.06516	3.2
121.10144	22.9
123.08072	4.3
123.11716	6.1
125.09626	6.2
128.06169	1.6
129.06996	5.5
131.08562	20.9
133.06404	2.4
133.10133	23.8
134.26047	1.6
135.08034	4.8
135.11688	16.9
135.77197	1.6
137.09654	14.1
142.07701	2.4
143.08533	5.3
145.10138	18.6
147.11708	14.4
149.09616	19.4
149.13274	8.1
151.11206	3.2
155.08569	2.9
157.10103	7.4
159.11743	12.7
161.09694	2.3
161.13283	10.0
163.11180	7.8
163.14789	2.7
165.09137	1.7
169.10126	2.2
171.11671	4.7
173.11719	6.8
173.13257	9.0
175.14767	2.5
179.14371	4.7
183.11723	2.2
185.13258	3.3
187.14789	3.7
189.11151	2.2
197.13156	1.8
199.14713	2.0
201.16420	3.3
205.86862	1.7
206.66386	1.7
227.12697	3.8
229.14336	5.2
229.19507	2.9
247.20555	2.4
257.19012	8.0
259.20538	3.7
261.22195	10.0
275.20059	36.3
277.21631	2.7
291.19476	5.6
293.21121	4.5
317.25055	2.5
335.25803	78.8
336.26318	1.9
349.23761	46.9
365.23184	3.3
423.32022	2.3
431.31580	9.0
489.35754	22.8
503.37610	2.7
513.39471	9.5
515.37256	4.7
529.38647	2.3
609.45050	45.6
627.45789	8.2
650.35620	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.8
65.03944	4.9
67.05507	96.5
69.03424	11.0
69.07068	40.4
71.04990	8.9
71.08591	2.3
72.08130	2.0
73.02921	3.4
75.50166	1.8
78.34955	2.0
79.05494	79.6
81.03415	14.6
81.07058	100.0
82.88718	2.0
83.04993	10.7
83.08624	20.2
85.02903	8.4
85.06549	5.9
91.04008	2.5
91.05483	87.8
93.07047	93.9
93.07639	4.5
95.04983	19.4
95.08612	58.1
97.02903	8.0
97.06548	13.9
97.10194	10.1
98.20792	5.0
98.50397	1.8
103.05440	2.9
104.29609	1.9
105.07032	85.1
107.04953	12.0
107.08601	53.9
109.06514	8.7
109.10151	20.4
111.08081	5.4
113.06001	2.6
113.09685	2.7
115.05448	5.3
116.06144	2.4
117.07030	31.8
119.06213	2.4
119.08585	66.2
121.06505	5.8
121.10146	30.1
123.08078	5.6
123.11726	4.5
125.09664	3.1
127.03883	3.6
128.06224	6.1
129.06999	19.7
131.08574	47.2
133.10133	45.3
135.08051	5.7
135.11691	26.1
137.09650	3.3
137.43527	1.9
141.07002	5.4
142.07802	5.6
143.08543	25.4
145.06483	3.4
145.10115	36.3
147.08040	2.3
147.11688	37.1
149.09665	9.8
149.13297	13.0
151.11186	3.0
154.07721	2.4
155.08571	8.5
156.09358	2.8
157.10129	19.6
159.08040	2.3
159.11691	29.6
161.09680	3.3
161.13275	22.1
163.11198	7.7
163.14841	3.5
165.07072	2.5
167.08549	7.8
168.09363	4.6
169.10164	13.6
171.11699	18.8
173.13269	13.5
175.11093	4.4
175.14838	8.1
177.12749	5.8
181.10149	4.6
183.11656	11.7
185.13271	16.5
187.14825	5.4
189.11172	3.2
189.12784	3.1
189.16386	2.4
193.10210	3.2
195.11717	7.3
195.13542	2.0
197.13229	10.0
199.14795	10.5
201.12807	2.7
209.13239	5.9
211.14857	6.3
213.16420	5.0
215.14308	3.8
215.17947	2.6
221.13287	3.3
223.14923	5.0
225.16441	5.3
227.12695	3.0
231.21095	5.6
237.16534	2.4
241.19411	11.9
247.20720	2.2
253.14203	2.6
255.15883	10.5
257.19025	7.0
259.20575	41.0
261.22238	2.5
267.16013	2.3
269.17407	16.5
271.20676	2.5
273.18652	3.0
275.20114	17.4
277.21762	2.5
299.23975	2.3
301.21558	2.3
311.23380	2.9
315.23215	5.6
333.24268	40.4
335.26056	3.2
349.23825	13.7
367.25464	2.7
417.31363	2.4
435.32474	7.6
446.40240	2.0
453.33582	3.8
471.34741	2.8
509.35892	3.1
513.35773	18.0
515.37933	6.0
525.34595	2.5
527.37347	41.7
531.36652	3.1
533.39655	3.3
538.36359	2.2
545.38293	5.5
585.13959	2.3
607.43719	26.1
625.44366	22.7
664.79529	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.1
65.03951	7.9
67.05502	81.2
69.03426	9.0
69.07065	37.9
69.52012	7.7
69.52435	15.7
71.04987	8.1
73.02898	3.6
75.86324	3.0
79.05489	84.4
81.03410	3.4
81.07051	91.0
83.04977	8.7
83.08618	26.8
85.02898	10.4
85.06538	4.4
91.05476	97.6
93.07039	87.4
95.04961	16.5
95.08040	5.1
95.08605	58.9
97.02901	7.4
97.06521	13.9
97.10184	13.5
98.20745	5.0
99.08102	5.2
103.05464	4.7
105.07030	100.0
107.04950	6.8
107.08587	57.2
108.08955	3.3
109.06504	7.9
109.10145	27.4
111.08071	7.4
112.17314	2.9
113.06023	3.5
115.05441	7.4
116.06202	3.1
117.07008	40.6
119.07784	5.4
119.08576	67.9
121.06538	5.6
121.10134	31.6
123.08041	4.7
123.11712	7.7
125.09616	9.7
128.06232	8.1
129.06972	26.9
130.07803	3.2
131.08562	47.5
133.10123	53.8
135.08031	5.3
135.11693	21.9
137.09647	5.4
141.06985	7.8
142.07762	4.6
143.08562	25.4
145.10110	49.3
147.08020	5.4
147.11676	37.9
149.09618	8.2
149.13257	12.4
151.11298	3.5
153.07047	3.9
155.08557	18.6
156.09328	3.1
157.10126	27.5
159.11685	39.7
161.13264	19.1
163.11206	8.8
165.07091	3.3
167.08594	9.4
168.09291	5.0
169.10107	21.2
171.11667	25.8
173.13229	18.6
175.11156	5.0
175.14841	5.7
177.12726	3.4
181.10114	10.7
183.11685	15.6
185.13290	21.9
187.14771	8.2
193.10191	6.0
195.11749	12.9
197.13237	13.6
199.14815	10.2
201.16408	5.4
203.14346	5.8
207.11729	3.3
209.13281	7.4
211.14807	4.3
213.16443	3.5
217.63316	3.0
221.13196	5.8
223.14853	7.6
225.16412	5.0
227.12759	3.4
235.14844	5.6
237.16324	5.3
239.18040	6.3
241.19595	9.2
251.17863	3.6
257.18967	11.5
259.20557	27.6
271.06015	69.0
272.06378	32.1
273.18359	3.2
275.20087	21.5
277.21793	3.4
281.86655	2.7
291.40012	2.5
321.21625	2.7
331.22592	2.9
333.24249	32.1
349.23761	12.1
350.24030	2.9
351.24976	3.5
390.25217	2.7
435.32382	4.9
473.33298	3.6
513.35681	8.8
515.38354	7.5
527.37323	16.0
533.40240	7.0
545.38550	3.7
553.38501	6.7
589.41962	4.7
607.43628	44.5
625.44659	34.6
720.81250	3.3
841.47754	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.2
65.03942	5.7
66.21204	2.4
67.05505	93.1
69.03432	8.5
69.07072	39.3
71.04969	3.3
79.05492	95.5
81.03423	9.2
81.07057	82.3
83.04974	11.3
83.08618	22.5
85.02916	9.2
85.06548	6.3
91.05476	100.0
93.07044	95.4
95.04943	16.4
95.08601	59.4
95.09169	4.2
97.02890	10.0
97.06516	12.1
97.10173	8.0
99.04465	3.3
99.08092	4.3
103.05485	7.0
105.07030	80.9
107.04963	5.8
107.08599	52.0
109.06515	7.2
109.10165	29.4
111.08083	8.1
115.05422	6.8
117.07009	38.9
119.08587	63.5
121.06561	2.7
121.10120	32.7
123.08098	4.6
123.11701	8.9
125.09631	4.6
127.03905	4.9
128.06224	10.1
129.05479	4.9
129.06995	24.4
130.07782	4.6
131.08571	51.3
133.06552	3.1
133.10130	48.3
135.08067	5.0
135.11684	24.9
137.09547	3.6
141.06999	10.6
142.07774	5.4
143.08580	28.9
145.10129	42.1
147.08041	2.9
147.11694	31.9
149.09625	9.9
149.13280	15.0
150.56850	2.4
151.11163	3.8
155.08533	17.4
156.09309	3.9
157.10132	23.8
159.11681	32.2
161.09575	2.9
161.13252	20.2
163.11148	4.0
163.14827	6.6
165.12817	4.4
166.07687	3.0
167.08572	5.5
169.10136	20.2
171.11678	26.4
173.11890	3.8
173.13248	19.7
175.11211	2.8
175.14862	8.0
177.12823	6.2
177.16515	3.6
179.08635	3.5
181.10161	8.4
183.11717	18.4
185.13264	18.3
187.14879	7.1
195.11722	8.8
195.13667	3.0
197.13243	14.3
199.11417	3.6
199.14816	8.5
201.12692	2.7
201.16377	4.0
207.11681	4.3
209.13327	8.1
211.14865	7.4
213.16432	6.4
221.13335	2.5
223.14867	3.4
225.16493	4.9
227.18010	5.2
229.14215	3.3
229.19415	4.4
237.16214	4.0
239.18045	3.8
241.19571	11.2
257.18982	10.6
259.20566	25.7
261.22287	3.4
265.19632	2.9
267.15884	4.4
269.17487	10.6
271.20450	3.4
275.20142	8.8
277.19492	3.0
279.21420	3.0
291.19434	4.8
297.22049	4.7
313.21640	3.2
315.23044	5.5
333.24405	22.0
335.25726	7.3
349.24216	4.4
351.26581	3.3
435.32544	3.8
453.33725	4.7
487.34247	3.1
513.35815	5.3
515.37598	3.3
517.40247	7.0
527.37274	13.8
539.37433	2.6
545.39197	4.6
607.43787	7.3
609.45215	46.4
625.44104	7.9
793.42242	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.4
67.05497	7.0
67.71574	1.3
69.03426	8.7
69.07070	3.1
70.06622	1.6
71.05003	1.9
71.60031	1.7
73.02930	3.8
77.03954	1.2
77.39675	1.2
77.62325	1.2
79.05499	4.5
81.03416	10.7
81.07066	3.9
83.01346	1.3
83.05002	1.6
84.04481	1.4
85.02898	10.5
85.06567	1.3
89.03933	1.9
91.05478	8.7
93.07042	4.4
94.06556	6.4
95.04980	4.5
95.08625	2.6
97.02898	8.3
97.06501	1.8
98.06013	1.2
99.04458	3.3
102.64030	1.3
103.05464	2.8
105.03389	1.7
105.07068	4.1
107.04958	1.5
107.08581	1.9
108.08129	9.1
109.02875	7.7
109.06459	1.7
111.04480	1.3
115.03906	1.5
117.03410	2.9
118.06570	1.4
119.04955	3.9
119.08572	2.0
120.04487	1.9
120.08144	3.7
121.06529	1.6
122.06026	19.6
122.09677	1.7
123.04434	4.5
123.08176	1.8
124.07590	1.4
125.06018	1.5
127.03897	7.7
131.04945	3.0
132.08075	1.7
133.10103	2.2
134.06020	3.5
135.04434	1.3
136.07578	10.6
137.05975	8.3
137.09685	1.2
138.09178	1.6
140.07101	4.2
143.05647	16.9
143.08551	1.6
145.02818	7.4
145.10138	1.6
146.06036	3.6
147.04419	4.6
148.07567	7.1
149.05931	1.4
150.09169	2.5
151.03923	3.2
151.07567	2.2
152.07117	1.6
153.01961	1.3
153.05531	1.7
160.07544	2.3
161.05992	2.3
162.09177	4.0
163.03938	2.6
163.07553	1.7
163.11351	1.7
164.07100	3.8
166.08687	4.5
167.07045	37.5
167.08159	1.4
168.07378	2.3
172.04018	1.3
172.07635	1.7
173.05974	1.6
174.05550	3.9
174.09158	1.9
175.03928	3.8
175.07585	1.8
177.05463	13.6
179.07037	1.4
181.05011	3.9
186.09309	1.5
190.04950	3.0
191.07121	1.7
193.08640	3.1
196.07501	1.5
196.11235	1.4
198.09244	1.6
204.06659	2.3
205.08768	1.8
206.08250	1.9
207.06454	6.7
208.06859	1.6
208.09753	1.8
209.10764	1.4
210.11487	2.4
211.12254	2.6
213.10297	3.5
215.11896	1.5
217.08734	1.7
221.10748	3.5
222.11487	3.9
223.08672	9.1
223.12157	6.4
224.13054	3.2
225.10231	24.8
225.13734	6.2
226.11029	4.1
227.11853	6.0
234.11417	1.8
235.08559	9.8
235.12325	3.6
236.09320	10.5
236.12997	1.6
237.10216	19.3
237.13829	8.1
238.10954	12.9
239.11794	19.7
240.12500	7.6
241.09743	3.1
241.13364	4.3
248.09546	4.8
249.10205	16.3
249.14018	1.6
250.10938	22.5
251.08246	5.9
251.11789	73.5
252.12476	14.9
253.09856	5.6
253.13324	23.0
254.10190	1.6
254.14070	3.6
262.11023	3.5
263.09152	2.3
263.11792	39.7
264.08984	3.1
264.12582	8.0
265.09808	13.6
265.13416	70.7
266.10577	4.3
266.14117	8.7
267.11386	9.1
267.14606	7.5
268.12152	3.0
268.15509	1.6
269.12839	3.2
271.10748	1.7
275.11938	3.9
277.10004	9.0
277.13397	8.1
278.10355	9.5
279.11301	43.8
280.12067	8.7
281.09949	1.3
281.12823	8.5
283.10825	9.3
283.14124	2.2
284.11609	2.9
285.12314	3.5
287.05548	9.1
288.05920	2.1
291.11316	11.8
292.12085	4.3
293.09451	1.3
293.12805	31.5
294.13629	6.3
295.10898	4.3
295.14450	11.9
296.11612	4.9
297.12308	13.4
298.13174	6.9
299.13898	9.8
300.14859	1.6
301.13358	1.9
303.05017	3.7
303.11374	1.9
305.09415	2.2
305.12772	3.1
307.10742	5.0
307.14136	2.0
309.12283	13.1
309.15756	1.7
310.13055	4.7
311.13892	52.5
312.14505	3.0
313.12448	1.5
313.15579	8.2
319.10706	5.1
319.14319	2.3
321.12411	14.7
323.10345	2.0
323.13879	6.0
325.11844	2.8
325.15268	2.3
333.12421	1.6
337.11691	8.1
338.12408	2.4
339.13608	11.6
341.15100	3.2
344.14044	3.1
347.13855	1.7
351.13309	6.7
353.14880	15.1
354.15521	2.4
355.16763	2.3
356.14209	2.0
357.14722	4.0
358.15485	2.6
360.17184	1.5
367.12686	2.2
369.14447	10.1
370.15280	3.8
371.16040	24.6
372.17163	4.8
375.13553	1.4
379.12842	2.2
381.14456	4.8
383.16168	2.0
386.18991	3.2
393.14682	2.9
395.16101	3.2
397.17743	1.5
400.16360	2.0
401.16403	1.8
411.15408	5.3
412.16202	2.1
413.17087	8.8
414.18192	6.7
416.19739	4.2
417.14828	1.7
418.17657	1.6
419.16400	2.3
423.15628	2.0
426.17749	1.6
427.18665	2.9
432.19376	6.1
435.15533	3.8
437.17328	8.7
439.18997	1.7
440.16046	2.9
441.16650	4.4
442.18033	5.0
443.18039	2.0
447.15921	1.7
453.16605	8.2
454.17560	2.2
455.18121	17.0
456.18927	2.0
460.18726	5.0
463.15256	4.2
465.16824	8.0
473.19061	5.5
474.20270	12.3
479.18304	4.3
481.16101	7.6
482.17081	2.3
483.17633	15.1
492.21463	8.5
494.22922	2.5
495.17618	4.3
497.19266	10.0
513.18695	17.6
514.19672	4.4
515.20251	34.5
516.20923	2.6
517.21881	2.6
534.22302	16.0
540.21301	3.0
542.23230	1.8
543.19757	4.5
545.21411	4.0
558.22491	6.5
560.23480	2.4
568.20917	7.8
575.22369	14.5
576.23132	7.9
577.23950	37.0
582.23566	1.6
586.21851	25.6
587.22058	1.9
588.23096	5.9
600.23401	41.8
601.23901	12.7
602.25171	2.3
604.22833	18.8
606.24353	3.8
618.24457	58.9
619.25085	25.6
620.26019	8.4
624.25488	1.9
636.25513	100.0
637.26172	7.7
654.25946	1.5
655.27698	2.6
666.26788	27.7
675.29907	2.7
681.28571	2.4
691.26892	2.7
698.29187	63.7
699.28680	4.6
709.28717	12.1
723.30145	23.7
724.29779	1.7
727.29163	4.4
741.31293	28.3
745.30884	2.4
759.31927	4.5
777.33258	6.6
807.27917	4.1
839.30695	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.0
65.03955	3.7
65.73938	2.0
67.05504	72.8
67.20905	2.0
69.03425	8.8
69.07067	44.3
70.23035	3.8
70.23421	3.6
71.04997	5.0
74.17366	1.9
79.05492	66.2
81.03430	14.3
81.03834	2.2
81.07054	82.3
82.07393	2.3
83.04987	14.4
83.08618	20.2
85.02899	3.0
85.06534	4.2
85.61440	1.9
87.04449	6.1
91.05479	76.6
93.07043	64.8
95.01340	7.6
95.04973	21.0
95.08604	51.0
97.02891	7.4
97.06528	25.7
97.10185	12.9
105.07030	100.0
107.04948	21.4
107.08592	43.2
108.22763	2.0
109.06535	11.5
109.10151	20.9
111.08076	7.5
111.12093	2.4
115.05443	3.7
117.07018	26.0
119.08578	63.8
121.06503	6.6
121.10127	17.6
123.04408	2.7
123.08106	5.0
123.11680	4.4
125.09618	9.5
128.06273	2.4
129.06985	12.9
131.08566	34.8
133.06490	4.2
133.10129	50.2
135.08055	8.0
135.11711	16.3
136.06215	14.6
137.09676	4.5
141.06958	4.2
142.07870	2.6
143.08565	12.1
145.10133	23.6
147.08070	6.2
147.11676	27.0
149.09630	9.9
149.13243	8.9
151.11156	5.1
153.23871	2.3
155.08513	4.9
156.32062	2.3
157.10126	9.6
159.08073	3.1
159.11699	24.5
161.09744	3.4
161.13255	13.5
163.11215	7.8
165.09062	3.3
169.10150	6.4
171.11682	10.8
173.09656	2.5
173.13271	5.9
175.14771	5.2
177.12767	7.7
179.14279	12.5
183.11726	5.6
185.13223	5.1
187.11232	4.5
187.14738	2.7
189.11298	4.3
195.13840	3.7
197.13251	3.5
199.15009	2.2
201.12650	2.2
201.16328	2.6
205.12317	2.6
219.17451	5.9
223.13252	5.9
227.12823	6.2
227.18172	2.2
238.71066	2.1
239.17986	2.7
241.19508	9.4
247.20543	3.5
251.97092	2.2
253.14307	4.9
255.15868	4.4
257.19016	10.0
259.20520	14.8
269.17465	15.8
273.18530	7.1
275.20084	81.1
275.23114	4.1
284.94736	2.0
291.19547	43.0
293.21069	5.9
331.22589	2.3
333.24197	14.3
349.23773	44.3
350.23871	2.5
360.73044	2.1
365.23444	11.8
411.30423	2.3
413.21356	2.9
482.04193	2.6
525.35535	6.1
529.35229	19.6
543.36816	97.4
605.41351	3.2
623.43036	47.7
641.44330	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35290	1.7
65.03938	3.3
67.05506	56.4
68.21357	1.6
69.03423	4.3
69.07065	45.5
71.04981	4.9
73.02897	2.1
76.70525	1.6
79.05492	51.2
81.03409	15.7
81.07057	70.8
83.04981	11.6
83.08606	11.6
85.02901	3.9
85.06558	4.7
87.04460	8.0
91.05479	67.8
93.07045	54.4
93.07635	3.1
95.00833	1.6
95.01326	9.9
95.04967	16.8
95.08607	40.4
97.02898	3.1
97.06540	33.3
97.10157	7.1
98.20718	3.6
99.08081	2.5
103.05473	2.9
105.07031	84.9
107.04949	20.6
107.08596	35.0
107.80916	2.1
109.06501	5.4
109.10142	14.2
111.08070	5.1
115.05426	2.2
117.07008	21.4
119.08582	53.5
121.06498	5.5
121.10159	14.6
122.59439	1.7
123.08057	4.5
123.11701	4.0
125.09647	6.1
127.03866	2.1
128.06178	1.7
129.07011	8.6
130.07861	2.7
131.08557	28.0
133.10136	42.8
135.08060	6.0
135.11690	13.6
137.09639	4.8
139.07530	2.8
141.06995	3.1
143.08577	5.9
145.06499	3.1
145.10121	28.4
147.08067	1.7
147.11691	25.2
149.09631	11.7
149.13245	9.2
151.11217	3.1
155.08582	3.7
157.10120	6.2
159.07982	2.2
159.11674	16.3
161.13251	7.0
163.11166	10.2
165.12733	2.3
169.10201	5.2
170.96825	1.8
171.11674	4.3
173.13275	8.1
177.12729	4.7
179.14325	12.3
183.11610	2.7
187.11272	3.6
187.14806	2.2
192.13678	1.8
197.13257	2.7
217.15903	1.7
219.17410	8.3
227.12816	5.5
239.18025	3.7
247.20648	3.0
257.19040	11.4
269.17468	10.9
275.20071	100.0
276.20520	1.7
279.15765	2.6
293.21109	7.7
331.22855	3.7
349.23730	59.4
350.23871	2.9
367.24728	3.1
503.33557	2.9
527.37152	2.8
529.35156	18.3
543.36829	57.7
544.37128	2.7
583.39905	3.7
605.41516	1.9
623.43060	52.5
641.43616	7.2
687.41217	2.4
789.98920	2.1
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
62.92567	2.6
65.03950	3.4
67.05505	86.8
69.03423	16.6
69.06723	4.0
69.07073	52.1
69.34503	26.9
71.04990	4.7
74.12162	2.6
79.05492	80.0
81.03413	12.6
81.07056	68.7
83.04971	9.4
83.08621	23.7
85.02898	5.0
85.06541	3.8
87.04472	6.1
91.05482	82.4
93.06468	5.0
93.07043	75.3
95.04986	15.6
95.08603	47.5
97.02341	2.7
97.02865	14.5
97.06525	7.2
97.10177	29.3
99.08088	3.6
102.45309	2.9
103.05479	5.0
105.07025	83.5
107.04941	12.7
107.08591	47.9
109.06526	7.6
109.10153	22.1
111.08088	5.2
115.05475	6.5
117.07025	29.4
119.08579	71.9
121.06483	4.4
121.10136	27.9
123.08083	6.5
125.09630	14.5
129.07004	19.8
131.08583	31.5
133.06493	4.3
133.10121	46.1
135.08070	7.6
135.11731	16.7
136.06189	5.5
137.09645	4.0
141.07008	5.6
142.07700	3.4
143.08551	17.0
145.10121	30.9
147.08069	6.6
147.11676	36.3
149.09619	7.5
149.13246	12.8
155.08548	6.9
157.10103	14.3
159.11710	20.1
161.09633	6.0
161.13251	17.5
163.11240	4.2
169.10150	8.9
171.11693	13.4
173.13243	11.6
175.11176	4.0
175.14835	8.0
176.11728	2.9
177.12834	4.9
179.14316	3.8
181.10071	4.1
183.11737	5.9
185.13225	9.5
187.14784	5.2
189.11220	12.0
195.11609	4.1
197.13193	4.9
199.14821	7.7
205.12224	3.7
213.16528	3.6
223.13257	23.7
227.12772	13.7
237.16386	3.2
241.19563	20.7
249.14743	3.6
256.30316	2.7
257.19025	4.7
259.20578	49.9
273.18515	14.7
275.20050	22.3
291.19534	100.0
315.23138	9.4
333.24265	53.7
347.22345	3.6
349.23792	9.3
351.25128	3.4
365.23294	38.0
379.30017	5.4
412.81131	3.4
462.37009	3.1
486.38544	2.8
495.57690	3.1
525.35742	6.9
525.63611	3.1
529.35126	6.9
543.36609	28.1
605.41901	6.7
623.43103	54.7
641.44086	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	838.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	2.2
64.78520	1.5
65.03935	7.0
65.41615	1.5
67.05505	80.8
68.83195	1.4
69.03416	5.0
69.07062	26.0
70.66225	1.6
71.04987	6.0
71.52272	2.8
71.82614	1.5
79.05490	74.5
81.03407	8.7
81.07056	83.5
81.77351	1.5
83.04980	10.3
83.08633	10.5
85.02904	4.4
85.06543	7.7
91.05477	100.0
93.07041	75.7
93.07634	3.8
95.04969	20.0
95.08059	2.6
95.08612	42.8
97.02917	3.1
97.06516	7.9
97.10173	3.9
99.04418	2.4
103.05473	3.5
105.04500	2.7
105.07029	90.0
107.04915	10.9
107.08590	49.1
109.02908	1.9
109.06516	11.8
109.10158	57.5
109.10905	3.2
111.04417	3.1
111.08080	6.0
113.05984	3.3
115.05462	3.1
117.07026	24.0
119.08582	54.6
121.06507	6.9
121.10130	18.1
123.08037	3.4
123.11699	11.6
125.09641	3.7
127.03915	1.7
127.07526	2.3
128.06204	4.7
129.06989	14.5
130.07785	2.9
131.08562	26.2
133.06470	3.5
133.10129	85.7
135.08061	9.5
135.11676	18.8
137.09602	3.7
141.07002	3.0
142.07794	2.0
143.08568	14.9
145.06488	3.4
145.10115	27.2
147.08028	6.8
147.11703	27.1
149.09593	5.8
149.13232	7.2
151.11188	29.4
155.08574	4.1
157.10117	12.1
159.08078	2.9
159.11716	19.9
161.09564	5.4
161.13269	21.0
163.11171	5.2
169.10120	5.8
169.12285	4.0
171.11707	16.4
173.09518	2.4
173.13271	11.1
175.11160	3.7
175.14832	7.4
177.12801	2.9
179.10721	2.0
181.10110	2.1
183.11710	3.8
185.13269	10.3
187.14783	3.2
189.12694	3.8
193.10146	2.8
195.11745	2.9
197.13286	4.0
199.11125	3.2
199.14815	5.0
203.14326	1.7
209.13245	2.1
211.14803	2.1
213.12794	2.3
213.16408	3.1
215.12711	4.1
217.15785	1.9
223.14883	1.9
227.17914	2.8
229.14182	3.8
231.17357	2.1
231.21112	4.9
241.19516	13.5
245.19016	5.0
253.14333	59.7
257.19055	4.1
259.20572	44.5
263.20062	5.1
271.15399	2.2
273.18475	16.8
275.20184	3.5
285.18561	1.6
289.18066	4.7
291.19522	19.0
313.21637	2.1
315.23206	8.1
329.37903	1.5
333.24219	43.6
335.25894	7.6
347.22086	4.3
353.28647	2.4
363.21213	2.2
365.23248	23.0
381.10883	1.8
437.30557	3.3
455.31516	4.9
501.34702	2.1
511.34183	11.9
513.36523	2.4
515.37372	2.4
529.35010	15.0
531.38116	3.4
549.39539	2.8
605.42163	7.6
623.43036	35.8
641.43939	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	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57641	3.0
65.03909	3.1
67.05507	67.4
69.03429	5.3
69.07068	48.9
70.20003	6.2
70.20395	6.5
71.04993	4.2
79.05489	65.9
81.03411	10.6
81.07057	92.8
83.04990	12.8
83.08617	14.5
85.02894	4.2
91.05479	80.5
93.07042	81.7
95.01313	10.7
95.04965	21.9
95.08607	47.8
97.02887	3.6
97.06524	33.1
97.10181	9.0
103.05433	4.0
105.07028	100.0
107.04971	16.8
107.08595	44.7
109.02892	3.7
109.06525	7.2
109.10142	18.2
111.08129	3.2
117.07037	23.5
119.08582	62.0
121.06519	7.3
121.10150	20.0
121.10894	3.5
123.08048	8.4
123.11722	5.4
125.09661	7.1
129.06976	7.3
131.08577	35.5
133.10135	60.9
135.08038	5.4
135.11688	13.2
137.09608	5.5
141.07086	3.0
143.08566	7.5
145.10141	24.5
146.08961	2.8
147.08038	6.6
147.11702	25.6
149.09637	14.7
149.13284	12.5
157.10109	6.5
159.11703	19.4
161.13257	17.1
163.11180	7.1
165.09090	5.6
169.10175	6.0
170.30516	3.0
171.11694	7.5
173.13229	7.9
175.14919	4.7
177.12781	6.2
179.14328	18.5
183.11739	4.1
185.13301	3.4
187.11284	3.3
195.13710	3.5
195.97275	3.4
197.13286	7.0
205.12363	3.3
223.13226	3.9
227.12674	4.4
239.17981	7.2
241.19489	8.4
241.93034	2.9
257.19034	13.9
259.20581	13.8
269.17496	15.3
275.20059	90.0
291.19513	17.5
293.21075	5.9
315.23193	3.4
331.22787	5.4
331.90994	3.0
333.24329	27.3
334.37717	2.9
335.25784	11.2
349.23813	37.2
351.25330	5.3
363.21613	6.3
365.23276	5.5
543.37036	31.1
545.19330	3.7
596.60339	3.7
607.43335	39.4
609.71539	3.1
623.42969	14.9
625.44861	5.3
641.43945	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	838.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	8.0
65.03938	2.1
65.53742	0.9
67.05505	36.9
69.03436	5.4
69.07066	14.3
69.27359	6.5
69.27787	3.9
71.01358	1.0
71.04981	3.8
73.02914	2.8
79.05060	1.6
79.05495	28.7
81.03419	40.0
81.03904	2.1
81.07056	47.3
82.07397	1.2
83.04983	13.8
83.08614	17.3
85.02903	18.4
85.06527	2.9
89.71165	0.8
91.03962	5.2
91.05482	29.0
93.06466	1.8
93.07044	32.0
95.04971	19.5
95.08043	1.4
95.08608	15.4
97.02901	7.3
97.06537	8.3
97.10164	4.3
98.21505	1.9
99.04466	1.7
99.08078	3.1
103.19845	0.9
105.07030	16.1
107.04972	4.2
107.08598	18.5
109.02879	2.4
109.06512	5.3
109.10162	5.2
111.04433	2.2
111.08080	10.1
113.06012	2.0
117.07006	6.1
119.04945	2.6
119.08577	13.0
121.06490	3.0
121.10142	15.0
123.04401	1.2
123.08071	2.1
123.11679	2.1
125.09636	2.1
127.03913	3.1
127.07533	1.0
128.06256	1.3
129.07024	6.6
131.08572	11.7
133.06485	4.1
133.10130	14.6
135.08070	1.8
135.11714	4.6
137.05971	1.8
137.09651	1.1
141.07008	1.1
143.05679	6.1
145.04980	1.9
145.10141	2.4
147.04419	1.8
147.08043	2.3
147.11711	11.0
149.09619	3.7
149.13275	12.9
151.03825	1.1
151.11176	1.8
157.10152	8.8
159.11694	6.4
161.09651	1.1
163.05978	2.1
163.11217	2.0
165.12697	2.2
167.07053	9.6
167.14410	1.2
173.11635	1.1
173.13254	1.1
175.03931	1.6
175.11143	10.2
177.05428	3.0
177.12735	3.8
181.04932	1.5
193.12247	27.6
195.13792	5.0
207.06505	2.5
211.13304	29.1
213.14900	1.3
229.14455	1.4
249.14754	1.2
263.14435	1.1
267.15903	31.3
269.17477	51.7
285.16946	24.3
287.05304	1.2
407.50272	0.9
413.35632	1.0
435.27289	2.2
443.27716	1.6
461.28979	67.2
462.29263	2.2
479.30051	100.0
480.30466	1.4
493.27701	1.3
555.33081	1.1
573.34119	2.1
623.33795	1.8
695.84650	1.0
697.22260	1.0
838.49292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.1
66.22086	0.9
67.05497	5.4
69.03436	4.5
69.07047	0.9
71.01346	0.8
71.08614	1.4
73.02904	3.9
81.03423	2.2
81.07064	1.8
84.80302	0.9
85.02899	8.2
91.03958	5.2
95.08607	1.4
97.02916	9.4
99.04452	1.7
100.28958	0.9
101.02365	2.2
109.02853	1.1
109.10165	7.0
127.03978	1.3
173.11801	2.7
185.04222	1.3
195.12738	0.9
218.13982	1.0
229.14372	1.6
243.08472	1.8
258.96191	0.9
288.09729	1.0
333.16199	1.0
347.09543	2.8
365.10553	1.9
377.12247	1.1
388.21570	1.0
405.13593	7.9
413.17862	13.7
438.39340	1.1
497.31305	5.0
575.23260	14.2
585.62616	1.0
656.09052	1.0
659.35828	5.9
669.41913	2.8
831.47064	100.0
832.47162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05636	0.7
68.05005	0.8
69.03405	0.9
70.06592	53.6
70.52026	0.7
70.52379	1.5
71.04983	1.2
74.96629	0.5
74.97022	0.5
75.05208	0.8
75.05604	10.3
78.97836	0.5
81.03407	0.9
82.06576	0.8
83.06093	1.6
84.04504	30.7
85.02885	1.0
85.07656	1.0
91.05476	7.6
95.04947	0.7
95.06099	3.0
96.04498	1.4
97.07639	2.0
97.78465	0.4
98.06019	0.9
101.07142	12.0
102.05547	3.2
103.05452	1.4
105.07038	0.6
107.04951	2.1
109.06507	0.5
112.08726	22.6
113.07120	4.9
114.05560	0.7
114.10271	0.7
115.08679	8.7
119.04942	5.9
120.08102	30.8
124.03957	1.5
124.08724	0.7
125.07100	0.9
129.06612	4.7
130.05029	0.7
130.06555	0.5
130.09767	0.5
131.04903	1.0
132.08066	1.5
136.07576	77.8
136.76108	0.4
137.07933	0.6
138.05479	0.5
140.08243	1.1
141.06573	3.6
143.05641	5.8
145.02815	0.7
146.05997	0.8
147.04419	2.9
148.07567	3.7
148.08675	1.1
151.05016	0.7
152.03447	3.1
152.08183	2.2
153.06599	0.9
157.10890	0.7
158.06039	0.5
159.07671	1.1
160.07504	0.8
163.03912	0.5
164.07069	0.8
167.07048	1.2
167.08215	0.7
168.07657	0.6
169.06082	9.7
169.10913	0.8
176.07037	1.0
177.05450	1.1
177.10283	2.4
181.09714	0.8
186.08792	6.0
187.07162	2.9
187.08656	0.8
188.10692	1.1
193.09741	18.4
195.07681	2.0
198.08702	0.6
199.12389	0.8
203.08186	1.1
205.09692	3.3
206.09274	0.9
207.06561	1.0
212.10323	1.6
213.08772	1.6
214.13373	0.7
215.08231	1.4
216.15070	1.6
217.13457	1.8
221.09200	3.1
222.12381	1.8
223.07219	1.4
227.11742	0.6
232.10661	0.6
233.12852	0.6
238.12392	0.6
241.08160	3.9
242.12872	4.0
244.14426	3.9
245.12917	0.9
252.09824	1.2
253.14726	0.6
258.10907	0.9
259.15543	15.4
261.12381	0.9
263.06976	0.5
270.10590	0.7
271.15778	0.7
276.13568	0.6
277.11887	0.7
280.09195	1.1
281.07693	0.9
286.11935	0.9
287.15002	2.7
297.12061	1.4
298.10321	3.6
300.13287	0.6
303.14511	4.3
304.13000	3.0
309.12048	0.7
315.13486	0.9
316.13025	0.7
320.09085	0.6
338.09866	1.2
343.14056	0.9
344.16989	0.7
354.14337	0.6
355.12665	0.8
360.16647	1.9
361.19894	0.8
377.19504	0.6
415.16370	0.6
417.18304	0.6
444.23660	1.2
471.19662	0.6
483.66489	0.6
573.28107	1.1
793.36371	0.6
820.37415	1.0
821.36023	1.5
838.38409	100.0
839.38672	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.5
61.13864	0.4
65.03958	0.5
67.05506	5.3
69.03429	3.5
69.07075	1.4
69.34135	4.3
73.02908	3.8
79.05490	6.4
79.55251	0.5
81.03429	1.6
81.07061	4.7
83.04967	0.7
83.08639	1.0
85.02911	4.6
91.03970	2.8
91.05478	4.9
93.07045	6.5
95.04971	1.0
95.08607	2.7
97.02897	4.6
97.10181	0.6
98.21464	0.8
101.02388	1.7
103.03957	0.5
105.07041	4.9
107.08586	3.2
109.10163	1.2
115.03941	0.7
117.07065	1.3
119.08593	3.5
121.10154	2.2
123.04459	0.5
123.11668	0.5
127.03931	1.8
129.05537	0.5
129.07005	0.9
131.08580	1.5
133.10130	2.6
135.11697	1.1
143.08575	0.5
145.05048	0.5
145.10141	0.9
147.11674	2.1
149.13248	0.7
157.10141	0.5
159.11726	1.2
161.13330	0.6
162.73756	0.4
164.72191	0.4
168.36191	0.4
169.10199	0.4
171.11656	0.7
173.13293	0.5
175.14832	0.5
180.31319	0.5
185.04279	1.5
201.03835	0.6
203.05304	0.5
241.07056	0.6
243.08437	3.5
246.55511	0.4
258.15829	0.5
259.07922	0.6
259.20706	0.8
301.09042	2.2
313.08884	0.5
315.10623	1.7
317.20953	1.4
327.10605	0.7
333.24460	0.5
355.13852	0.7
373.11270	0.9
373.23788	0.6
385.18326	0.9
397.18546	0.7
423.20126	0.5
437.21524	0.7
465.21069	1.7
495.22549	0.6
525.23254	1.9
535.28796	15.8
536.28955	0.9
607.31018	2.0
610.75586	0.5
627.45831	0.5
649.00519	0.4
677.39203	0.5
691.38617	0.6
759.42889	1.0
829.50696	100.0
830.50958	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.8
67.05504	7.0
69.03439	4.1
69.07054	1.8
69.39592	10.3
72.37193	1.0
73.02926	5.5
73.84863	1.1
79.05511	6.8
81.03413	2.5
81.07056	8.8
85.02904	7.7
85.07646	2.1
91.03957	5.6
91.05482	4.4
93.07037	5.5
95.04945	2.2
95.08625	5.3
97.02910	7.6
101.02361	2.8
105.07033	3.5
107.08601	2.9
109.10117	2.4
115.03954	1.5
119.08628	1.6
121.10149	3.0
127.03889	2.6
131.57463	1.1
133.84531	1.0
134.03462	1.2
135.11722	1.4
145.10162	1.2
147.11713	1.9
189.12692	1.2
201.28856	1.0
220.77855	1.1
243.08540	3.3
247.13249	2.4
335.25940	1.9
356.58789	1.2
465.20901	8.6
519.29480	18.3
551.27631	1.3
559.26953	1.1
668.84253	1.2
713.42596	1.8
731.42963	3.0
743.43445	100.0
744.43567	3.4
811.50012	11.8
829.50336	21.2
830.49030	1.4
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
61.02924	6.1
65.03925	0.3
67.05503	6.1
68.44427	0.2
68.84293	0.3
69.03432	3.7
69.07064	1.6
69.39651	2.1
71.01366	0.5
71.05000	0.6
73.02914	3.9
79.05500	4.2
81.03421	1.6
81.07055	5.8
83.04980	0.7
83.08613	0.5
85.02905	5.4
85.03417	0.3
87.04455	0.3
91.03960	3.2
91.05475	3.0
93.07040	4.1
95.04974	0.7
95.08028	0.5
95.08607	3.8
97.02891	4.8
97.06538	0.4
99.04452	1.2
101.02372	2.3
103.03942	0.5
105.07037	1.9
107.08587	2.5
109.02883	0.9
109.06532	0.3
109.10159	1.3
111.08096	0.3
115.03966	0.3
117.06993	0.6
119.08561	1.4
121.10116	1.4
123.08052	0.3
123.11772	0.4
127.03957	1.1
131.08583	0.7
133.10136	1.0
135.11697	1.1
145.04938	0.3
145.10124	0.5
147.11688	0.6
149.13202	0.7
159.11795	0.3
173.13245	0.3
205.87970	0.2
221.11482	0.2
231.07251	0.3
243.08423	2.1
261.22064	0.4
316.09897	0.3
333.20370	3.2
335.25888	0.6
380.51050	0.3
439.19778	0.6
453.21097	0.4
469.20755	0.3
519.29266	8.6
520.29138	0.4
551.28204	2.5
829.50684	100.0
830.51050	10.6
830.67035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.2
63.97252	1.2
64.26896	1.2
67.05508	5.5
67.11128	1.4
69.03439	3.7
73.02925	3.8
79.05508	3.3
81.07070	5.8
83.08646	1.9
85.02916	5.6
88.81970	1.6
91.03969	1.9
91.05479	2.2
93.07048	3.6
95.08642	2.1
97.02898	4.5
97.10183	6.2
105.07037	1.5
107.08593	4.2
109.02855	1.4
119.08572	1.8
125.09632	2.5
143.52036	1.4
162.57285	1.4
183.04843	1.3
243.08369	3.2
276.46149	1.4
333.20410	4.6
389.52258	1.4
500.60406	1.4
519.29443	5.3
551.28088	7.6
829.50708	100.0
830.51318	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.4
63.82123	0.3
65.03936	0.4
67.05504	5.2
69.03426	3.3
69.07075	1.2
71.01358	0.4
71.05000	0.6
73.02917	4.3
79.05490	4.3
81.03417	1.5
81.07058	5.1
83.05000	0.6
83.08611	0.5
85.02911	5.2
87.04464	0.4
89.58758	0.4
91.03950	3.2
91.05469	2.9
91.54084	0.4
93.07041	4.0
95.04984	0.9
95.08600	3.4
97.02890	4.8
97.10182	0.4
99.04462	1.0
101.02339	1.8
105.07029	2.0
107.08605	1.9
109.02888	0.7
109.06499	0.5
109.10162	1.3
115.03960	0.4
117.07007	0.6
119.08580	1.6
121.10159	1.6
123.11783	0.6
123.65230	0.3
127.03922	1.5
129.29543	0.4
131.08572	0.6
133.10156	1.2
135.11691	0.8
145.04939	0.5
145.10156	0.8
147.11716	0.7
147.95566	0.4
159.11717	0.5
161.13315	0.4
166.48413	0.3
185.04268	0.6
203.05273	0.4
211.26775	0.4
235.09093	0.3
243.08398	2.0
247.13104	0.8
333.20343	4.6
335.25793	0.7
389.22986	0.4
465.20987	1.8
519.29285	8.3
551.28082	4.1
689.55579	0.4
743.43152	1.4
829.50677	100.0
830.50885	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	827.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	7.2
67.05502	8.5
69.03423	5.3
69.07059	2.3
70.76977	2.6
73.02919	6.6
79.05494	5.1
81.03404	2.7
81.07047	7.0
83.04986	1.6
83.08649	1.0
85.02916	8.5
91.03967	3.8
91.05460	4.6
93.07037	6.6
95.04983	1.3
95.08600	6.7
97.02879	6.3
100.89498	1.1
101.02379	1.7
105.07030	2.8
107.08597	4.2
109.02859	1.2
109.10181	1.8
117.07044	1.7
119.08587	2.5
121.10149	1.6
130.57997	1.0
131.08592	1.2
133.10172	1.7
135.11734	1.2
141.94365	0.8
149.12143	0.9
159.11670	1.7
204.78899	0.9
243.08496	2.7
249.65675	0.9
259.38202	0.9
268.57938	0.9
313.17691	2.3
331.18936	4.7
335.25803	1.3
518.39661	1.2
519.29419	9.6
549.26868	1.7
666.98505	1.2
729.41815	2.2
809.47949	11.9
827.49109	100.0
828.48999	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	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.2
67.05506	6.3
69.03436	3.7
69.07070	2.3
73.02917	4.4
78.97990	0.9
79.05502	5.2
79.51954	1.0
81.03409	2.9
81.07069	7.8
83.08625	1.2
85.02914	4.5
87.04471	1.3
91.03962	4.0
91.05498	3.9
93.07024	5.6
95.08607	4.8
96.13162	1.0
97.02895	5.9
97.10182	2.1
99.04485	1.9
101.02383	1.7
105.07054	2.3
107.08617	4.1
109.10157	3.0
119.08597	1.2
121.10157	2.1
125.09688	1.6
127.03964	1.6
128.90683	1.1
133.10115	1.2
135.11714	1.2
161.59169	0.9
185.04250	1.2
230.24635	1.1
235.20529	1.3
237.16020	1.0
243.08478	1.5
333.20331	8.5
519.29285	7.2
551.28345	4.7
632.92206	1.2
829.50562	100.0
830.50085	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87394	0.7
61.02924	7.6
65.03940	1.1
67.05508	7.9
68.19159	0.7
69.03417	3.7
69.07072	2.8
71.05022	1.2
73.02905	5.6
79.05479	6.8
81.03422	2.3
81.07055	8.8
83.05012	1.9
83.08646	0.9
83.22241	0.8
85.02904	6.2
88.31149	0.9
89.50324	0.7
91.03954	3.6
91.05477	5.7
93.07045	5.6
95.04967	0.8
95.08604	4.8
97.02888	6.4
98.20769	2.6
99.04489	1.5
101.02376	2.2
104.78740	0.7
105.07047	2.3
107.08587	3.7
109.02921	1.4
109.10189	3.3
119.08581	1.6
121.10183	2.4
127.03954	2.2
131.08540	0.8
133.10173	2.9
135.11671	1.0
145.10223	1.1
185.04288	1.0
243.08545	3.3
331.18634	4.1
415.54465	0.9
519.29388	9.6
549.26929	2.7
691.04376	0.9
827.49109	100.0
828.49890	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	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78473	0.3
60.23433	0.3
61.02632	0.7
61.02924	6.4
65.03947	0.4
67.05502	6.1
69.03429	4.4
69.07071	2.6
69.26466	2.3
69.26897	1.7
71.01351	0.9
71.04997	0.5
73.02914	4.4
79.05494	5.1
81.03410	2.1
81.07050	6.0
83.08614	1.0
85.02903	6.3
87.04462	0.4
91.03967	3.3
91.05482	2.8
93.07043	5.1
95.04984	1.6
95.08602	4.6
97.02888	4.9
97.06544	0.4
97.10186	1.0
99.04476	1.0
101.02374	2.2
105.07039	1.8
107.08601	2.4
109.02883	1.3
109.10178	1.6
117.07056	0.8
119.08598	1.5
121.10162	1.5
125.09653	0.7
127.03947	1.5
131.08617	1.1
133.10139	1.0
135.11708	1.0
145.05057	0.4
145.10117	0.6
159.11829	0.5
161.13173	0.4
185.04219	0.7
191.06058	0.3
203.05342	0.8
223.13274	0.9
243.08354	3.2
287.84308	0.3
291.19601	0.7
331.18738	1.8
335.26010	0.7
412.31253	0.4
439.43829	0.4
519.29266	10.3
549.26593	2.8
827.49115	100.0
828.49390	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	827.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.5
67.05497	4.2
69.03416	2.2
69.07059	2.6
69.54089	1.5
69.54520	2.5
73.02922	2.2
79.05489	4.0
81.03429	1.4
81.07059	4.4
83.04980	0.8
83.08633	0.8
85.02905	3.4
86.96599	0.5
91.03972	1.6
91.05479	4.3
93.07043	4.9
95.04989	0.8
95.08594	3.0
97.02890	3.5
97.06547	0.6
99.04440	0.5
99.08109	0.4
101.02362	1.0
102.83783	0.4
103.03942	0.6
105.07027	3.9
107.04957	0.8
107.08580	2.3
109.02904	0.5
109.10179	1.9
117.07043	1.0
119.08566	3.0
121.10147	1.0
123.11675	0.4
127.03974	0.6
129.07062	0.6
131.08600	1.9
133.10133	3.5
135.11752	1.1
136.26939	0.4
143.08607	0.4
145.10173	0.8
147.11716	0.8
149.13336	0.6
159.11726	0.8
161.13303	0.8
163.11194	0.6
173.11803	0.6
173.13254	0.5
179.14456	0.6
181.45232	0.4
185.04292	0.8
229.14342	1.0
230.14886	0.6
243.08337	2.6
301.09073	1.2
311.43701	0.5
313.09369	0.6
313.27576	0.8
315.10748	0.5
315.19482	4.2
316.56128	0.4
371.17264	0.6
371.22113	1.3
378.02292	0.6
465.21094	1.0
467.37225	0.6
468.37952	1.1
473.61111	0.5
495.22409	0.6
533.27142	8.6
535.28699	6.3
600.31183	0.6
605.29248	0.9
827.49127	100.0
828.48962	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.7
67.05505	5.7
69.03435	3.1
69.07068	0.8
69.58607	0.4
71.05015	0.5
71.16542	0.7
73.02911	4.9
79.05504	4.3
81.03428	2.6
81.07060	4.9
83.08627	0.4
85.02898	4.4
85.06543	0.7
91.03952	2.9
91.05495	2.8
93.07039	4.6
95.04979	2.4
95.08614	4.0
97.02898	5.2
99.04464	0.9
101.02393	1.4
102.47748	0.4
105.07016	2.1
105.10349	0.4
107.08586	2.3
109.02861	0.8
109.06510	0.7
109.10168	1.4
113.06025	1.3
117.06989	0.6
119.08594	1.2
120.45477	0.5
121.10165	1.6
127.03940	1.5
131.08582	1.1
132.84108	0.5
133.10176	0.8
135.08044	0.7
135.11751	1.0
145.10156	0.7
170.45276	0.4
219.14876	0.5
243.08528	2.2
290.91376	0.5
326.20996	0.4
331.18802	5.8
335.25528	0.5
358.02228	0.4
519.29272	8.8
549.26941	3.0
689.85980	0.5
827.49164	100.0
828.49585	4.5
839.82977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.1
61.92636	0.5
63.07988	0.5
65.54266	0.5
67.05502	6.4
69.03436	3.7
69.07066	1.8
70.66530	1.6
70.66870	0.6
73.02924	3.5
79.05493	5.1
79.49744	0.5
81.03419	2.2
81.07058	5.0
82.66612	0.6
83.05025	0.5
85.02911	5.5
91.03974	2.2
91.05473	3.5
92.16282	0.5
93.07051	3.8
95.05000	0.7
95.08604	4.4
97.02882	4.2
99.04479	1.1
101.02393	2.2
103.03963	0.6
105.07033	2.1
107.08617	2.1
109.02891	0.6
109.10179	1.9
109.45924	0.5
113.57958	0.6
115.03873	0.6
117.07062	0.9
117.29187	0.5
119.08545	1.4
121.10152	1.5
123.11704	0.6
127.03918	0.9
129.13779	0.5
131.08620	1.7
133.10144	1.0
142.07823	0.8
143.08638	0.6
145.10196	1.4
159.11638	0.8
165.27995	0.6
176.01584	0.6
185.04370	0.6
192.12814	0.6
199.62930	0.6
243.08513	2.1
250.74040	0.6
274.20880	0.5
331.18784	6.6
335.26019	0.7
519.29315	5.6
533.87457	0.8
549.26697	2.7
662.53827	0.7
827.49121	100.0
828.49408	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	0.5
61.02930	7.6
67.05508	4.8
69.03436	5.5
69.07063	2.4
71.04978	1.4
73.02916	4.4
73.04748	0.5
79.05508	4.4
79.99488	0.7
80.88467	0.5
81.03415	3.9
81.07062	6.0
83.04990	0.7
83.08621	0.7
83.74571	0.6
85.02909	7.7
85.06571	0.5
91.03963	4.6
91.05484	4.6
93.07048	4.6
95.04970	2.0
95.08606	2.4
97.02882	8.0
97.06533	1.2
98.20697	0.9
99.04462	1.6
101.02379	2.6
105.07030	3.2
107.04956	0.9
107.08606	3.6
108.22156	0.5
109.02867	1.8
109.06562	0.9
109.10157	1.4
115.03865	0.6
117.07034	1.3
119.04919	1.4
119.08607	1.7
121.10146	1.5
127.03918	2.7
129.07018	0.7
131.08580	1.3
133.10156	1.6
135.11700	0.9
137.06013	0.9
143.05667	0.7
143.08582	0.6
145.02859	0.8
147.04462	0.9
147.11655	1.3
149.13287	2.1
159.11746	1.3
167.07117	2.2
175.03917	1.2
177.05548	1.1
177.12790	0.7
185.04276	1.2
195.13870	1.0
203.05383	0.9
207.06552	3.8
235.13072	1.5
243.08377	2.8
269.10895	0.7
269.17456	1.7
287.05566	1.5
291.15750	0.7
347.09546	2.7
349.16611	0.8
361.37564	0.7
365.10394	1.2
405.13605	5.1
453.20984	18.4
454.21530	0.8
501.23019	3.0
567.28143	1.2
591.22705	0.6
615.26270	14.7
665.34863	4.2
827.40704	100.0
828.40521	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	826.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	2.6
61.02926	9.9
67.05502	58.2
69.03436	3.0
69.07069	5.8
71.04990	1.7
71.08627	17.1
71.60772	1.3
73.02911	2.6
79.05483	1.4
81.03426	1.4
81.07056	16.5
83.08614	9.6
85.02900	11.1
85.06536	1.8
85.10184	9.8
91.03941	6.7
91.05490	3.5
93.07051	2.6
95.08602	14.1
97.02879	5.9
97.10179	3.9
99.08119	1.1
107.08598	1.7
109.02841	0.9
109.10151	67.2
111.08068	2.1
119.08545	4.7
119.31905	1.0
123.11725	1.7
125.09569	1.2
127.03909	3.2
137.09612	4.1
137.13254	1.3
145.04988	2.7
155.10681	2.8
163.06035	3.2
169.22813	1.1
173.11722	21.9
222.97772	1.1
229.14339	100.0
230.14720	1.2
239.23645	1.3
257.24835	1.8
313.27353	79.9
467.37317	68.3
468.37488	1.9
618.24786	1.1
826.47382	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	827.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05635	0.2
61.02917	0.3
65.03933	0.3
67.05489	0.3
68.99780	0.2
69.03424	1.0
69.07068	0.5
70.06580	0.2
71.04964	0.1
71.13019	0.2
71.13357	0.2
73.04034	0.2
77.03922	0.1
78.04731	0.1
79.05476	0.3
81.03429	0.8
81.07040	0.3
83.02480	0.1
83.04987	0.1
83.08605	0.1
85.02905	0.9
87.00850	0.1
87.06715	3.9
89.03912	0.1
91.05479	3.3
93.07035	0.3
95.04964	0.3
95.08602	0.3
97.02888	0.4
97.06508	0.1
99.04460	0.1
101.03497	0.2
103.05431	0.2
105.01842	0.1
105.07019	0.4
107.04949	0.2
107.08594	0.3
109.02892	0.9
109.06509	0.1
109.10155	0.1
111.08005	0.1
113.04571	0.2
115.05437	0.1
117.03437	0.1
117.07027	0.1
119.04944	4.4
119.08563	0.3
121.06533	0.1
121.10151	0.1
122.06069	0.1
123.04455	0.1
124.07558	0.1
125.04578	0.2
125.09658	0.1
125.83904	0.1
126.03007	0.3
127.03934	1.2
129.01889	0.1
129.07010	0.1
131.04938	0.2
131.08493	0.1
133.06396	0.1
133.10069	0.1
135.04434	0.1
135.08000	0.2
136.05186	0.1
136.06129	0.9
137.05852	0.5
137.09628	0.2
141.04076	1.0
142.04930	0.2
143.05640	100.0
144.06006	0.3
145.02840	0.4
145.05016	0.2
145.06409	0.1
147.04413	4.2
147.11670	0.2
149.05977	0.1
149.09567	0.1
152.05699	0.4
153.05569	0.1
155.05653	1.0
157.03946	0.3
159.03003	0.1
159.08046	0.1
161.05978	0.3
163.03851	0.2
167.05641	0.4
167.07050	1.0
175.03903	7.4
176.04402	0.1
177.05432	0.7
179.07042	0.4
181.05026	0.2
183.89838	0.1
185.06773	0.5
187.07469	0.1
191.06949	0.2
193.08684	0.1
196.28487	0.1
199.07597	0.1
207.06526	11.3
208.06888	0.3
208.09654	0.1
209.06665	0.2
211.11884	1.7
219.06448	0.2
249.07591	0.2
251.05417	0.2
251.07773	0.1
257.18976	0.1
259.10172	0.1
263.09119	0.2
267.15799	0.1
271.06036	0.3
275.19962	0.1
287.05701	0.2
287.08994	0.1
291.08609	0.5
297.07635	0.3
303.05075	0.1
305.10901	2.4
315.08636	0.5
325.10718	0.1
333.09677	0.1
339.10986	0.1
349.11475	0.2
369.11664	0.1
373.09912	2.3
373.17169	0.1
391.10791	0.7
417.15787	0.1
419.09903	0.1
433.12000	2.2
437.10550	0.2
499.12726	0.8
517.14117	2.8
535.15228	1.4
539.13300	0.1
553.16370	0.6
563.14215	0.2
581.14795	0.4
599.15692	0.6
621.22205	0.2
641.98041	0.1
705.19604	0.2
723.19995	0.5
741.20923	2.2
759.21869	1.0
809.28180	0.1
827.28784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.5
64.89056	1.3
65.03935	5.4
67.05508	94.1
69.03433	10.5
69.07071	33.4
71.04996	6.8
71.08616	1.6
73.02932	2.5
77.03965	1.4
79.05495	86.6
81.03419	10.1
81.07060	100.0
83.04974	10.2
83.08635	14.4
85.02913	11.8
85.06552	3.9
91.03967	3.1
91.05483	70.4
91.55424	1.2
93.07049	93.0
95.04980	16.7
95.08608	62.4
96.48170	1.3
97.02893	9.4
97.06538	11.4
97.10165	5.6
98.09688	2.4
98.21547	2.5
99.04448	2.0
99.08086	7.7
99.08694	1.2
103.05452	1.8
105.04560	1.9
105.07034	64.7
107.04948	5.7
107.08603	48.2
109.02869	1.2
109.06530	6.4
109.10162	26.8
110.12404	1.3
111.04408	2.3
111.08092	6.1
112.12196	1.2
113.09620	2.3
115.05455	2.9
117.07018	23.1
118.47592	1.2
119.08588	51.4
121.06497	5.0
121.09312	2.6
121.10143	40.0
121.91044	1.8
123.08060	7.5
123.11689	10.3
125.09620	3.6
127.03901	4.5
128.06235	1.7
129.05484	5.8
129.06995	8.2
131.08563	31.1
133.06462	1.6
133.10132	41.6
135.08057	4.6
135.11697	25.4
137.09604	4.6
137.13258	1.7
139.11183	1.3
141.06938	2.2
142.07762	2.2
143.08575	7.2
144.09232	1.3
145.04968	3.9
145.06506	1.5
145.10130	27.0
147.08038	2.3
147.11690	30.3
149.09607	9.3
149.13264	21.5
151.11186	2.9
153.12651	1.4
155.08568	2.9
156.09402	1.5
157.10138	10.3
159.11711	27.8
161.09605	2.5
161.13260	19.0
163.11209	5.2
163.14854	6.5
169.10112	3.5
171.11726	10.0
173.13260	16.5
175.11157	1.7
175.14836	6.1
177.12709	5.7
177.16312	2.6
179.14319	4.5
182.08888	1.3
183.11693	3.6
185.13306	8.4
187.14862	8.1
187.53185	1.2
189.12761	1.7
189.16344	1.5
195.13820	7.0
197.13248	3.7
199.14844	5.8
201.16351	2.9
211.14877	2.3
213.16492	2.4
215.17992	1.6
225.10881	1.2
229.19458	1.8
229.37032	1.4
231.17444	1.5
231.20940	1.7
239.18082	2.7
241.19620	13.4
243.12157	1.4
243.21075	6.8
247.20673	2.4
251.16405	1.3
253.14375	2.1
254.14787	2.5
257.18979	11.4
259.20593	37.3
261.22134	13.7
262.30118	1.4
269.17465	11.6
275.20093	16.0
277.21631	1.6
279.23172	1.6
293.21411	1.2
303.15738	2.2
315.23172	4.1
315.26816	1.3
328.19095	1.6
331.22537	3.4
333.24225	31.6
335.25800	92.4
336.25958	2.6
337.27289	2.5
349.23718	11.0
418.84705	1.4
519.41901	2.8
529.38824	48.7
541.38599	2.7
544.57837	1.5
593.45856	6.6
609.44940	4.5
611.46741	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	6.6
67.05510	63.2
69.07056	23.1
70.66791	15.2
79.05490	60.2
81.07059	58.0
83.08606	8.2
85.02908	7.1
91.05482	55.2
93.07044	73.1
95.04995	7.0
95.08603	54.2
97.06572	6.1
97.10146	9.4
105.07028	55.7
107.04931	5.1
107.08582	33.7
109.10149	16.9
117.07042	28.2
119.08589	48.0
121.10123	18.6
123.08091	6.2
127.50440	5.1
129.07019	15.6
131.08585	30.7
133.10117	30.9
135.11703	15.9
141.06976	8.8
143.08577	22.0
145.10110	31.1
147.11687	18.1
149.13300	10.6
155.08589	16.7
157.10188	16.4
159.11705	16.9
161.13260	11.2
167.08452	5.0
169.10176	18.0
169.66396	4.5
171.11720	21.4
173.13278	15.4
175.14772	5.6
181.10167	9.5
183.11700	19.2
185.13289	8.3
195.11653	7.1
197.13307	14.0
199.14865	11.6
209.13219	10.1
211.14806	9.2
213.16377	7.4
223.14893	7.1
235.14767	9.0
257.19064	10.0
259.20538	11.5
331.22189	5.5
333.24323	5.6
397.27618	5.5
517.40057	16.8
551.13422	6.2
591.43842	7.4
609.45166	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.2
65.03941	4.8
67.05508	94.1
69.03426	8.7
69.07070	26.4
69.28067	4.9
69.28483	18.5
69.80355	1.9
70.15798	1.9
71.04993	6.0
73.25087	2.3
79.05497	85.6
81.03420	7.7
81.07057	74.1
83.04977	7.7
83.08624	29.3
84.33750	2.2
85.02929	4.7
85.06548	3.8
87.37740	2.2
91.04916	2.3
91.05481	55.2
93.07048	72.5
95.04961	11.5
95.08608	49.0
95.09169	4.3
97.02905	2.7
97.06535	5.5
97.10168	57.3
99.08076	4.0
105.06387	4.2
105.07035	45.9
107.04949	3.9
107.08599	96.2
109.02862	2.7
109.06536	6.3
109.10169	30.7
111.08086	4.5
117.07012	14.3
119.08585	28.4
121.10161	27.2
123.11716	8.1
125.09641	49.9
127.03931	3.4
129.07033	4.2
131.08565	23.4
133.10117	21.0
135.08080	8.6
135.11678	18.8
143.08536	4.7
143.10687	2.6
145.10110	24.5
147.11665	15.7
149.09624	5.0
149.13275	8.0
153.09106	4.3
157.10164	4.6
159.11644	11.8
161.13290	8.0
163.14899	3.5
169.10217	2.7
171.11617	3.6
172.56099	2.0
173.11824	3.4
173.13269	8.6
175.14758	2.3
187.14792	4.4
189.11235	26.0
198.66864	1.9
199.14796	2.7
218.49850	2.4
227.12805	52.5
239.18164	2.5
241.19611	3.1
243.21211	4.7
245.13870	3.3
257.19022	9.2
259.20511	4.8
261.22214	19.3
266.33676	2.4
275.20090	44.7
317.24997	3.6
320.07193	2.2
331.22638	5.7
333.24377	4.2
335.25815	100.0
347.38181	2.3
349.23749	47.8
349.28033	2.6
366.97647	2.1
367.30188	2.3
389.18347	3.6
487.34439	4.8
505.35257	23.1
550.74945	2.2
609.45087	86.8
627.46753	11.8
649.39264	7.5
820.33167	2.2
825.47119	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37661	0.9
61.02921	3.3
65.03960	4.3
67.05505	90.6
67.11146	0.9
69.03435	7.8
69.07067	29.5
69.40036	6.7
71.04993	5.3
73.02928	2.4
77.03907	1.4
79.05493	71.4
80.14561	0.9
81.03429	10.1
81.07058	100.0
83.04975	10.5
83.08613	13.8
85.02905	6.2
85.06554	3.5
91.04897	1.9
91.05480	52.0
93.07044	74.0
95.04972	16.1
95.08607	54.8
97.02906	5.8
97.06527	13.5
97.10152	4.7
99.04470	1.8
99.08104	2.9
103.05404	1.4
105.04506	1.9
105.07030	42.6
107.04951	6.5
107.08593	40.5
109.02901	1.1
109.06521	5.7
109.09454	1.8
109.10155	22.9
111.04412	1.8
111.08068	5.5
115.05434	1.5
116.06262	1.4
117.07013	17.1
119.08581	25.8
120.36590	0.9
121.06508	2.9
121.09313	2.0
121.10139	26.7
123.08066	3.5
123.11707	5.0
125.09629	1.3
127.03902	3.6
128.06232	1.5
129.05452	1.6
129.07018	5.2
130.07785	0.9
131.08571	24.0
133.06464	2.0
133.10127	22.8
135.08064	2.5
135.11684	16.9
137.09599	3.3
141.06989	2.1
143.08566	5.3
145.04913	1.2
145.06499	1.5
145.10132	17.1
147.07991	1.1
147.11699	12.1
149.09613	7.3
149.13220	10.8
151.11218	2.0
155.08565	1.7
157.10155	5.3
159.11705	16.6
161.09593	1.5
161.13232	7.6
163.11192	5.0
163.14815	2.5
169.10159	2.1
171.11668	4.6
173.04552	2.0
173.13258	8.8
175.11214	1.4
175.14830	2.6
177.12714	2.4
181.12276	0.9
181.96364	0.9
183.11713	2.6
185.13193	2.8
187.14854	2.9
189.12686	1.5
195.13835	3.8
197.13228	2.2
199.14801	2.1
201.12819	1.0
201.16309	1.4
209.13293	1.0
215.17850	0.9
217.15817	1.9
227.12860	1.1
229.14395	1.0
239.17949	2.6
243.21098	2.5
247.20537	1.7
253.14265	0.9
255.15881	7.4
257.19034	6.5
259.20685	2.4
261.22086	8.9
267.15872	1.5
269.17480	19.4
275.20081	20.0
291.19479	1.7
293.21109	1.3
302.95029	0.9
309.20547	0.9
313.21661	1.1
317.24738	2.6
331.22806	1.4
335.25815	72.0
336.26245	2.4
339.26721	1.2
349.23706	15.0
350.24319	1.0
367.24707	3.1
413.21634	1.5
431.31357	1.0
437.34152	1.2
515.37268	12.6
529.38879	47.5
530.39185	1.7
569.42010	6.1
609.45050	16.8
610.45740	1.0
627.45953	3.6
673.41974	1.2
775.10559	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06116	4.1
61.02922	2.8
65.03938	5.6
67.05504	89.8
69.03420	10.9
69.07063	22.7
71.04984	4.7
77.03938	1.7
79.05491	100.0
81.03425	4.9
81.07054	74.0
83.04976	9.3
83.08617	30.8
85.02913	4.2
85.06554	2.3
87.04486	1.8
91.05482	45.9
93.06475	3.3
93.07045	55.1
95.04967	11.3
95.08610	42.9
97.02908	5.1
97.06510	3.1
97.10172	50.2
98.86654	1.3
103.05482	1.6
105.04536	2.3
105.06313	1.6
105.07027	43.6
107.04959	5.8
107.08594	79.9
109.02879	3.3
109.06523	5.9
109.10156	24.5
111.08070	4.6
115.05442	2.6
117.07019	16.9
119.08584	22.1
121.10151	20.1
123.08082	1.7
123.11726	5.5
125.09634	41.1
127.03938	3.4
129.07016	4.8
131.08560	21.5
133.10133	20.2
135.08057	5.5
135.11714	12.5
141.06985	1.8
143.08571	6.4
143.10661	2.3
145.10123	21.9
146.76720	1.7
147.08052	1.8
147.11667	13.4
149.09639	7.3
149.13258	6.4
153.09116	3.8
155.08669	1.6
157.10124	4.6
159.11681	10.6
161.13271	4.2
169.10143	2.1
171.10245	1.6
171.11646	4.9
173.13274	7.3
178.13158	1.6
183.11745	2.1
185.13228	1.6
187.14824	3.1
189.11209	25.2
189.12735	2.4
197.13255	3.4
198.36073	1.5
199.14922	2.0
215.17949	1.8
227.12776	68.0
239.17967	3.5
241.19472	2.4
243.15932	2.0
243.21088	4.4
253.19441	1.6
257.18982	11.8
259.20609	4.0
261.22223	13.5
275.20074	44.4
298.44580	1.6
317.24649	3.3
331.22711	5.7
333.24072	3.7
335.25803	54.2
336.25986	2.3
349.19736	3.0
349.23761	41.7
351.25220	1.9
389.17926	3.0
398.40656	1.5
400.38608	1.6
487.34177	3.4
505.35376	5.5
517.40308	2.2
535.41217	1.7
609.45117	58.8
610.44696	2.0
627.46326	10.6
649.39691	2.3
825.46954	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	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	11.8
57.07065	2.8
61.02912	1.9
65.03935	4.1
67.05505	100.0
69.03432	6.3
69.07063	28.3
71.04992	8.3
71.48237	2.2
71.48586	1.5
78.21150	1.0
79.05492	70.8
81.03426	7.8
81.07058	91.7
83.04983	11.8
83.08625	10.8
84.74432	1.2
85.02914	2.4
85.06537	5.7
91.05480	71.1
93.03417	1.3
93.07043	72.4
93.22124	1.1
95.04974	14.5
95.08608	52.4
97.02860	1.5
97.06535	7.9
97.10172	3.8
99.04437	2.3
99.08128	1.9
103.05458	1.7
105.04520	1.3
105.07034	55.8
107.04958	10.1
107.08597	56.5
109.06503	9.5
109.10153	56.0
111.04439	1.5
111.08056	3.5
113.05974	2.7
116.06207	1.3
117.07011	13.9
119.08583	23.6
121.06520	8.4
121.10144	28.6
121.11007	1.4
123.04443	2.2
123.08096	6.5
123.11691	11.0
124.67453	1.1
125.05925	1.2
125.09624	3.7
127.07525	3.3
128.06223	1.8
129.07004	4.7
131.08557	23.5
133.06473	5.8
133.10129	64.0
135.08058	8.2
135.11694	13.4
137.09612	4.5
139.07555	2.1
143.08562	5.4
145.06413	1.7
145.10121	11.8
147.08017	4.2
147.11687	11.2
149.09595	8.2
149.13280	7.9
151.11191	30.4
153.12758	1.3
155.08586	1.2
157.10153	5.1
159.08061	3.6
159.11661	10.7
161.09644	8.7
161.13243	5.8
163.07561	1.6
163.11151	2.2
163.14803	2.8
169.12265	4.5
171.11673	6.6
173.09531	1.7
173.13252	7.2
175.11203	4.5
175.14919	1.8
177.09128	2.5
177.12744	1.3
179.10623	2.6
183.11769	1.8
185.13303	3.8
187.11302	1.9
187.14818	3.9
189.12695	2.1
191.14319	1.5
215.12773	3.9
227.17883	1.7
243.21034	3.3
245.19070	6.6
251.12831	2.1
253.14354	52.7
255.17578	2.5
259.20670	1.6
261.22171	13.1
263.20111	4.9
271.15402	2.4
273.18484	29.8
275.20081	2.3
291.16495	2.4
291.19550	32.6
309.20593	3.6
317.24844	2.5
335.25800	83.0
336.26230	1.8
347.22232	12.2
365.23218	38.5
383.24203	3.2
401.26407	1.2
439.32117	1.2
457.33127	2.0
513.35736	4.4
529.35059	4.2
531.36816	25.6
561.14026	1.2
607.34302	1.3
607.43298	7.1
625.44647	72.5
626.44659	1.9
643.45013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.7
63.32442	2.1
67.05499	36.0
69.03419	3.3
69.07069	23.9
69.92867	4.8
69.93269	11.7
71.32363	2.5
78.62247	2.4
79.05498	40.8
81.03401	7.6
81.07056	51.7
83.04977	5.0
83.08611	6.8
85.06562	2.3
91.05478	62.8
93.07038	37.6
93.69328	2.3
95.01305	7.4
95.04939	11.7
95.08603	30.8
97.06509	16.8
97.10162	3.8
105.07034	73.7
107.04955	8.0
107.08583	20.1
109.06505	4.5
109.10149	8.2
111.08051	2.6
117.07021	17.7
117.07711	2.9
119.08578	50.4
121.10175	15.6
123.08036	3.7
123.11684	3.6
125.09599	3.2
129.06976	5.7
131.08580	20.3
133.10136	41.1
135.08015	3.7
135.11661	9.9
136.06192	4.9
139.22350	2.2
141.07022	2.5
143.08551	5.2
145.01370	2.5
145.10130	19.0
147.11693	27.9
149.09633	6.9
149.13242	8.5
157.10197	7.3
159.11676	16.9
161.13278	11.7
163.11168	4.0
169.10141	2.7
171.11674	7.4
173.13260	4.9
175.14835	4.8
177.12796	4.3
179.14323	8.6
183.11681	3.2
185.13277	6.7
187.14845	4.3
207.31870	2.7
215.17818	2.9
219.17473	3.0
231.21049	2.7
241.19484	15.7
257.19019	4.8
259.20593	25.6
275.20081	58.2
291.19699	2.6
293.21140	4.4
304.70334	2.6
315.23239	8.1
333.24237	55.5
333.28140	3.3
349.23709	47.0
418.78363	2.9
432.57465	2.4
450.13626	2.5
607.34070	4.9
607.43573	100.0
608.42865	5.4
625.44238	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	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.0
57.07075	3.9
59.06124	1.4
61.02926	2.2
65.03941	5.1
67.05505	72.9
69.03429	5.8
69.07066	20.2
70.53711	1.9
71.04994	4.1
71.97066	1.3
79.05492	47.6
81.03419	5.2
81.07055	75.5
82.14588	1.4
83.04988	11.4
83.08624	8.2
85.02896	2.3
85.06547	5.9
88.85569	1.3
91.05476	47.8
93.07041	56.7
95.04973	12.5
95.08607	36.4
95.09170	2.6
96.62321	1.2
97.06528	6.7
97.10174	3.5
99.04462	1.9
99.08100	1.4
105.07030	46.3
107.04955	6.0
107.08591	42.3
109.06533	5.7
109.10153	55.1
111.08085	4.2
113.06023	2.1
117.07017	7.8
119.08575	15.6
121.06480	5.9
121.10137	18.4
123.08054	5.2
123.11728	10.1
125.09641	2.1
127.07567	2.3
128.06247	1.7
129.07042	2.7
131.04854	1.4
131.08565	14.0
133.06491	4.7
133.10129	65.6
135.08101	7.5
135.11658	10.8
137.09595	3.8
143.08575	5.1
145.10107	8.3
147.08057	3.6
147.11722	4.8
149.09589	4.8
149.13289	5.2
151.11188	29.7
157.10118	4.1
157.11310	1.5
159.11702	6.2
161.09621	6.1
161.13278	5.0
163.11241	2.7
163.14799	2.0
169.12262	5.9
171.11720	2.2
173.13290	4.4
175.11194	3.8
175.14926	2.6
177.09053	1.8
185.13309	3.4
187.14891	1.7
194.97722	1.4
201.16374	2.1
207.13881	1.6
215.12819	3.5
236.86420	1.6
243.20950	3.4
245.19014	3.5
253.14348	100.0
255.17390	4.1
261.22134	12.7
263.20126	4.9
271.15347	1.7
273.18491	20.3
291.19574	19.3
308.94852	1.6
309.20740	2.8
317.24677	3.4
335.25787	87.9
347.22189	6.8
365.23267	28.4
428.47958	1.7
457.32718	1.9
513.35547	3.9
529.34851	3.5
531.36816	28.5
603.83282	1.6
607.43512	5.2
625.44611	65.9
695.62738	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	6.7
65.03930	2.1
67.05506	46.6
69.03439	9.4
69.06721	2.2
69.07068	25.1
71.05001	1.4
73.68314	1.2
79.05494	35.5
81.03427	5.8
81.07056	41.4
83.04988	3.0
83.08620	10.2
91.04974	1.9
91.05489	23.9
93.07046	36.7
95.04977	10.9
95.08052	2.0
95.08611	27.2
96.51994	1.3
97.02901	8.0
97.03419	1.4
97.06516	4.6
97.10173	10.6
105.07030	16.4
107.04967	6.0
107.08595	17.7
109.06508	3.1
109.10150	13.0
111.04424	1.4
111.08096	3.0
117.07020	6.8
119.04913	1.4
119.08600	16.7
121.06476	2.6
121.10136	10.8
123.08081	2.4
123.11688	2.7
125.09637	6.9
128.06178	1.2
129.07024	2.3
131.08604	8.9
133.06465	1.8
133.10152	6.4
135.08032	3.0
135.11696	6.0
137.09599	2.3
143.08566	3.2
145.10138	5.7
147.08066	4.8
147.11661	5.0
149.13210	3.3
151.11140	1.6
157.10173	2.1
159.11731	4.4
161.09564	1.7
161.13252	2.2
163.14877	1.5
165.09163	1.7
169.12148	1.7
171.11682	1.3
173.13342	1.8
175.11284	1.6
175.14813	1.1
177.12697	1.6
189.11194	3.0
205.12186	2.1
211.05646	1.5
214.02211	1.2
223.13289	17.7
227.12827	1.9
243.21097	2.1
249.14893	2.6
261.22177	7.0
273.18521	13.7
291.19540	100.0
292.19977	2.1
317.24799	2.2
335.25809	67.8
336.26031	2.3
347.22073	2.3
365.23254	55.6
482.68228	1.4
545.38055	3.1
548.47040	1.3
607.14233	1.4
607.43030	2.6
625.44653	67.6
626.44623	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00360	1.1
57.03447	8.4
57.48703	1.0
65.03944	2.9
67.05504	58.4
69.03439	9.5
69.07067	29.8
71.04984	2.7
79.05495	41.2
79.05961	2.2
81.03413	4.9
81.07056	50.6
83.04980	4.2
83.08618	10.2
85.06544	1.4
91.04908	1.2
91.05478	25.7
93.07044	42.6
95.04978	8.1
95.08604	37.0
97.02891	8.8
97.06528	3.8
97.10171	11.6
98.21552	2.4
105.07022	16.5
107.04952	6.7
107.08594	23.2
109.06517	4.0
109.10174	17.4
111.08099	1.9
117.07020	9.7
119.04933	1.3
119.08588	15.8
121.06519	3.8
121.10144	15.8
123.04457	1.6
123.08080	3.6
123.11713	3.2
125.09635	9.3
129.07013	3.9
131.08560	11.1
133.06471	2.7
133.10132	7.8
135.08064	3.6
135.11697	7.8
137.09615	2.8
143.08569	3.9
145.10124	9.5
147.08051	4.5
147.11708	5.4
149.09535	1.9
149.13246	4.2
157.10112	2.7
159.11703	5.4
161.09668	2.1
161.13266	2.0
162.10495	1.2
169.10106	1.3
171.10098	1.3
173.13242	3.1
175.11269	2.4
175.14722	1.5
185.13206	1.6
189.11211	5.5
203.10526	1.2
223.13289	19.3
225.02167	1.1
227.12827	3.2
229.57887	1.4
243.21127	2.4
249.14865	2.5
261.22134	7.7
267.15982	1.4
273.18527	12.9
291.19547	100.0
292.19843	3.0
317.24820	3.4
335.25803	86.5
336.26059	2.2
347.22330	2.5
365.23230	45.4
520.77795	1.4
545.38147	2.7
607.42889	2.4
625.44635	75.4
626.44617	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	19.4
57.39237	1.7
59.04998	6.1
61.02919	5.9
64.12714	1.6
65.03934	4.7
67.05508	100.0
69.03426	10.3
69.06722	2.4
69.07072	34.9
71.01349	2.4
71.04987	13.0
73.02899	2.9
75.78541	1.7
79.05062	3.4
79.05497	52.4
81.03420	76.7
81.07059	71.6
83.04973	13.9
83.08620	27.7
85.02916	10.3
85.06542	7.6
87.04465	5.8
88.67638	1.6
91.03960	1.7
91.05487	53.6
92.05771	1.8
93.07050	50.2
95.04972	39.1
95.08610	36.9
95.26687	1.7
97.02889	9.3
97.06521	16.0
97.10171	14.2
98.21563	2.4
99.04456	6.8
99.08127	3.2
103.03992	1.9
103.05489	1.9
105.07040	40.8
107.04952	14.5
107.08592	33.1
109.06549	10.4
109.10162	49.1
111.04436	4.8
111.08102	11.2
113.06022	3.2
115.05473	2.8
117.07016	16.6
119.08580	33.2
121.06491	7.5
121.10141	22.5
123.04485	2.8
123.08089	7.7
123.11716	5.7
125.09637	11.9
127.03903	3.9
128.06253	2.8
129.05478	2.6
129.07018	14.4
131.08563	23.5
133.06506	4.7
133.10127	21.6
133.60913	2.0
135.08083	8.0
135.11707	14.7
137.05931	1.9
137.09605	11.6
138.07590	1.7
141.07019	2.9
142.07813	2.8
143.08553	7.4
145.06401	2.5
145.10129	15.1
147.08037	5.6
147.11711	16.3
149.09627	20.6
149.13264	4.8
151.11172	4.0
153.09125	3.1
155.08536	3.6
155.10640	2.5
157.10135	11.4
159.11649	11.2
161.09584	4.8
161.13268	3.2
163.11177	12.1
163.53577	1.7
165.12802	3.2
169.10172	3.3
171.11725	6.3
173.09636	3.4
173.11742	12.4
173.13194	3.6
175.07510	1.6
175.11189	10.4
177.12836	2.5
181.12238	3.0
183.11676	3.6
183.92670	1.7
185.13303	2.6
189.11229	7.1
189.16220	2.0
191.10695	4.5
193.12262	27.7
195.11780	2.5
195.13754	2.8
199.13271	2.6
209.11688	2.4
211.13341	4.6
219.13841	2.4
223.13358	3.3
225.12776	2.0
225.14848	4.1
227.12733	13.5
229.14363	36.7
232.81801	1.6
235.13358	2.0
243.15993	4.0
247.20538	2.4
249.14746	2.9
253.14354	1.9
255.15834	3.4
257.18829	3.1
267.15915	66.0
269.17484	7.2
273.18564	2.1
275.20035	19.3
276.20413	3.5
283.15286	3.8
291.19681	9.2
293.21005	3.6
329.21176	3.7
349.23785	14.3
355.22870	2.2
365.23367	3.0
384.87021	1.6
403.24878	2.6
421.25919	22.2
423.27405	7.0
429.26389	3.5
435.27332	5.2
447.27417	15.7
455.30811	2.3
461.28641	3.1
467.31378	1.9
477.27933	1.9
503.33749	2.6
523.34393	2.1
541.35144	26.2
557.34778	3.8
559.36176	8.6
623.41693	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.7
57.07067	0.7
61.02926	5.1
65.03930	1.3
67.05505	26.2
69.03420	1.6
69.07069	10.8
71.01357	0.4
71.04687	0.4
71.04996	3.9
71.08643	0.5
72.04533	0.6
73.02906	1.8
79.05494	16.8
81.03423	6.5
81.07059	37.8
83.04990	3.8
83.08619	8.2
85.02908	6.7
85.06541	1.8
91.03960	3.2
91.04897	0.5
91.05479	15.4
93.07044	27.1
94.07381	0.6
95.04970	4.8
95.08602	10.8
97.02898	3.6
97.06528	8.7
97.10175	2.2
99.04462	0.8
99.08086	1.3
105.07030	8.5
107.04971	1.9
107.08596	16.7
109.02874	1.0
109.06528	2.5
109.10189	3.7
111.04440	0.8
111.08065	3.4
113.06023	0.4
113.09634	0.6
115.05484	0.5
115.07571	0.5
117.07013	7.0
119.04923	0.9
119.08583	5.6
120.08057	0.4
121.06485	2.4
121.09320	0.6
121.10146	9.1
121.11021	0.5
123.08096	1.5
123.11738	2.1
125.09622	1.5
127.03910	1.6
127.07573	0.4
128.06129	0.6
129.07021	3.2
131.08569	7.6
133.06506	0.8
133.10139	8.3
135.08044	1.7
135.11703	5.9
137.05962	0.7
137.09572	0.9
139.07480	0.5
139.11201	0.8
141.07036	0.9
143.08586	2.7
145.02808	0.5
145.04948	1.3
145.06470	0.8
145.10112	3.2
147.04416	0.8
147.08018	1.0
147.11702	3.0
149.05927	0.4
149.09631	1.8
149.13261	11.8
151.11172	1.4
153.09138	0.5
155.08524	1.5
157.10162	2.1
159.08040	0.9
159.11691	6.7
161.09627	0.5
161.13246	0.4
163.06075	1.3
163.11217	1.2
164.04817	0.4
165.12706	0.6
167.07088	1.0
167.08414	0.5
169.10135	1.3
171.08006	0.6
171.11697	1.5
173.04558	0.8
173.13307	0.7
175.03903	0.9
175.11221	1.3
177.05495	0.5
177.12729	2.8
181.10123	0.6
183.11734	1.3
185.13237	1.0
187.11230	0.6
187.14876	0.5
193.12276	0.9
195.11942	0.7
195.13797	7.2
197.13437	0.5
199.14749	0.4
207.06451	2.1
213.14859	1.2
227.12808	0.8
229.14227	0.6
230.15437	0.6
251.16489	1.2
259.17181	0.5
261.18509	0.4
267.15848	3.8
269.17468	20.2
273.18561	1.5
281.98828	0.4
283.15402	0.9
291.19632	0.6
292.19177	1.2
293.19473	0.8
353.24832	1.8
369.24167	0.5
371.25751	1.5
389.27087	1.2
395.20618	0.5
413.21976	0.7
427.28693	0.9
445.29504	16.2
447.27823	0.5
459.27307	0.5
461.28720	2.1
463.30548	100.0
464.31030	2.1
477.28452	1.1
481.31702	1.4
487.30673	0.7
539.33502	1.2
541.88397	0.6
557.34460	2.4
575.35638	0.7
589.33630	1.1
589.96680	0.4
607.34680	10.4
821.48676	0.6
822.48706	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.0
57.07070	0.7
61.02931	5.3
65.03936	1.5
67.05506	27.1
69.03429	2.5
69.06727	0.6
69.07074	8.9
69.83337	1.8
71.05007	2.8
73.00172	0.4
73.02913	2.2
75.82675	0.4
79.05496	17.1
79.25528	0.4
81.03422	5.5
81.07060	36.1
83.04986	2.8
83.08621	7.7
85.02903	7.0
85.06546	2.3
91.03967	3.1
91.05485	14.6
93.07048	24.0
95.04971	4.9
95.08612	10.2
97.02886	3.7
97.06538	5.1
97.10165	2.4
99.04475	1.0
99.08092	1.4
105.07030	7.5
107.04949	1.3
107.08601	14.7
109.02903	0.6
109.06502	2.4
109.10179	3.0
111.04480	0.5
111.08074	3.2
113.05971	0.6
117.07029	5.5
119.04963	1.1
119.08589	5.2
121.06524	1.9
121.10142	8.0
123.08078	1.9
123.11730	2.1
125.09615	1.3
126.13091	0.4
127.03927	2.0
128.06242	0.4
129.07028	2.4
130.06519	0.4
131.08569	7.6
133.06477	0.8
133.09142	0.4
133.10141	7.8
135.08069	1.4
135.11685	5.1
137.05974	0.5
137.09659	0.8
138.65506	0.4
139.11188	0.6
141.06961	0.9
142.07788	0.5
143.05652	0.4
143.08575	1.5
145.04991	1.8
145.06416	0.5
145.10118	3.0
147.04327	0.6
147.08006	0.7
147.11670	1.3
149.09653	1.2
149.13258	10.5
151.07596	0.4
151.11116	0.7
155.08539	1.1
155.10689	0.4
157.10143	1.7
159.08185	0.7
159.11705	6.6
161.09651	0.8
161.13260	0.4
163.06050	1.4
163.11194	1.0
165.12769	0.6
167.07025	1.2
167.08421	0.4
167.14351	0.7
169.10176	0.6
171.08075	0.4
171.11688	0.9
173.04303	0.4
173.09639	0.5
175.03900	1.8
175.11238	0.7
177.05450	0.7
177.12732	3.4
181.10147	0.6
183.11768	0.6
185.13329	0.6
187.11232	0.5
187.14812	0.5
188.46858	0.4
189.11230	0.7
189.12727	0.5
191.10698	0.4
193.12291	1.3
195.11958	0.7
195.13806	7.1
197.13335	0.5
199.11139	0.6
207.06548	4.1
213.14917	0.5
219.13832	0.5
221.13419	0.4
227.12769	0.7
229.14392	0.8
251.16455	2.1
267.15958	3.1
269.17487	20.4
273.18539	1.4
291.19608	1.3
292.19107	0.9
293.19522	1.0
303.16281	0.5
335.23801	0.6
339.17911	0.4
353.24826	1.8
365.23151	0.5
371.25845	1.6
389.26947	0.7
395.20877	0.6
413.21667	0.5
427.28510	1.0
435.14838	0.4
445.29550	12.3
461.28839	0.8
463.30560	100.0
464.30994	4.0
481.31741	1.2
487.30798	0.6
539.33691	0.8
557.34827	1.9
575.35626	0.5
589.33521	0.6
599.16113	0.5
607.34760	5.6
615.02094	0.4
822.49274	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.1
57.07072	0.8
58.96111	0.5
59.05012	0.5
61.02932	4.4
65.03931	1.2
67.05504	29.1
69.03426	1.2
69.06727	0.8
69.07068	9.8
71.01367	0.6
71.04990	3.2
71.60155	0.4
73.02911	1.8
73.75771	0.4
79.05492	16.5
81.03415	3.0
81.07056	37.1
81.22111	0.4
82.07379	0.7
83.04977	4.0
83.08618	8.0
85.02899	4.3
85.06544	2.3
85.47457	0.4
91.03947	2.9
91.04903	0.5
91.05479	11.3
93.07043	29.3
95.04973	4.4
95.08606	10.3
97.02883	2.2
97.06531	6.8
97.10149	1.6
99.04423	0.6
99.08102	1.5
105.04506	0.6
105.07034	4.4
107.04957	1.2
107.07870	0.9
107.08592	15.5
109.02839	0.5
109.06494	1.1
109.10139	3.2
111.08092	4.1
113.05998	0.4
113.09626	0.7
116.93700	0.4
117.07018	5.1
117.36991	0.5
119.08572	2.3
121.06503	1.0
121.10130	9.3
123.08085	0.4
123.11713	1.6
125.09671	0.6
127.03898	1.6
129.05476	0.5
131.08568	5.7
133.10123	4.4
135.08041	1.5
135.11674	3.5
139.11163	0.8
139.21432	0.4
143.08589	0.7
145.04999	1.0
147.08070	0.7
147.11707	1.5
149.09616	0.9
149.13260	17.9
151.11194	0.8
157.10121	0.9
159.11696	7.5
163.06094	0.9
163.11160	0.8
171.11778	0.5
173.11682	0.4
175.03975	0.7
175.11218	0.5
177.12743	2.5
195.13785	5.3
207.06578	0.7
209.11682	1.0
213.14865	1.3
229.14388	0.9
251.16429	0.4
267.16046	1.4
269.17465	45.7
270.17975	1.3
275.20068	0.9
283.15509	0.4
291.19614	0.5
316.11401	0.4
349.23532	0.7
443.93341	0.4
445.29654	0.6
463.30536	100.0
464.30930	2.9
557.34619	0.8
607.35797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	16.0
57.07061	3.5
63.07366	3.4
65.03942	5.7
67.05498	86.9
69.03420	3.9
69.07067	19.5
79.05491	56.9
80.06256	4.0
81.03408	10.4
81.07056	57.5
83.04985	14.7
83.08614	9.2
91.05476	53.5
93.07033	61.4
95.04967	36.4
95.08597	52.4
97.02897	10.0
97.06521	5.5
105.07018	41.0
107.04954	43.1
107.08580	22.0
109.06516	17.0
109.10148	14.9
111.04433	6.0
112.05187	4.1
113.05980	5.5
115.05521	4.6
117.07015	18.3
119.04939	4.8
119.08562	21.5
121.06530	11.5
121.10157	17.8
122.07290	15.7
123.04396	5.4
123.08044	8.2
123.11783	4.1
125.05993	6.3
129.06995	6.4
131.08542	25.5
133.06490	14.8
133.10121	16.9
135.08020	12.5
135.11661	9.5
137.09535	3.7
141.06895	3.2
143.08565	11.3
145.06497	7.5
145.10133	12.7
147.08035	18.8
147.11638	4.0
149.09584	5.6
149.13211	6.6
159.11678	8.6
161.09610	13.6
161.13286	6.7
167.08569	4.0
169.10060	4.4
173.13133	3.9
175.11055	4.1
187.11192	4.0
197.13225	3.4
205.15823	4.1
217.15848	3.4
233.15463	10.0
261.18448	3.7
271.07980	3.7
271.16946	4.4
273.18533	13.3
289.17957	7.3
290.18710	11.5
291.19507	10.0
307.19110	6.2
314.28314	3.3
321.01147	4.0
335.19058	4.8
335.25772	100.0
365.23007	3.9
381.22760	21.8
383.67249	4.4
415.29434	4.1
456.92172	3.7
567.40826	8.7
595.39282	10.3
623.43634	6.1
641.44135	67.4
642.44757	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	821.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	27.8
57.07069	3.4
58.62937	2.9
59.19553	2.9
65.03938	5.7
67.05501	85.1
69.03432	5.2
69.07060	22.8
71.01355	4.7
71.04988	3.6
79.05489	65.4
81.03419	13.2
81.07056	76.3
83.04968	16.0
83.08621	12.7
85.02901	3.9
85.06550	4.4
91.04945	2.0
91.05476	60.2
93.07043	59.7
95.04957	44.8
95.08607	59.9
96.05738	3.1
97.02894	7.2
97.06551	7.1
97.10198	3.4
103.05474	6.1
105.07023	46.7
107.04950	52.4
107.08582	35.2
109.06528	22.6
109.10163	19.6
111.04431	5.5
111.08058	5.8
112.05193	3.8
113.05975	8.8
117.07016	27.9
119.04919	5.4
119.08569	30.6
121.06483	14.8
121.10133	19.4
122.07286	12.6
123.04415	6.1
123.08086	5.5
123.11710	5.5
125.06021	3.4
128.06232	8.9
129.06998	13.9
131.08571	26.3
133.06487	19.6
133.10158	20.5
135.08046	16.3
135.11710	10.5
141.07002	3.8
142.07890	3.0
143.08556	11.0
143.64711	3.3
145.06496	7.8
145.10114	15.4
147.08055	21.2
147.11736	11.1
148.08730	3.6
149.09578	4.6
149.13266	7.1
151.17342	3.0
157.10136	5.6
159.08109	3.4
159.11664	11.1
161.09607	16.4
161.13322	5.1
163.11125	3.5
169.10078	4.3
171.08141	3.3
171.11682	4.0
173.09587	3.3
173.13301	3.8
175.11151	3.6
177.12686	4.7
185.13194	5.5
187.14732	5.2
205.15958	3.5
215.14307	6.0
217.15846	3.2
229.66559	5.0
231.13878	3.3
232.17603	2.9
233.15453	15.5
249.14896	4.0
261.14810	3.7
261.18692	4.0
261.22168	2.9
261.98523	3.7
271.16907	3.4
273.18472	13.3
279.15900	3.4
289.17975	7.3
290.18784	11.1
291.19547	8.7
307.19043	9.0
335.19098	4.3
335.25769	100.0
363.21930	5.5
381.22620	24.2
382.23376	3.3
567.40430	4.9
583.40051	3.4
595.39545	18.2
641.44049	81.8
642.44299	3.9
703.61877	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	821.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	20.6
57.07052	3.2
65.03928	6.2
65.90849	2.6
67.05504	89.0
69.03412	8.2
69.07069	23.9
71.01353	3.5
71.04990	2.8
79.05488	68.0
79.05949	3.3
81.03423	17.2
81.06581	4.7
81.07055	69.2
83.04974	15.2
83.08617	8.9
84.02095	5.1
85.02870	3.8
85.06560	2.8
91.05473	59.1
93.07034	58.5
95.04965	44.6
95.08610	50.9
97.02876	6.5
97.06525	11.1
97.10172	5.0
99.04483	2.7
101.07137	9.0
103.05492	3.5
105.07025	41.8
107.04946	51.2
107.08585	32.5
108.05779	3.1
109.06516	24.0
109.10159	22.3
111.04434	5.7
111.08034	3.3
112.05176	4.5
113.06011	6.3
115.05428	5.9
117.07023	23.7
119.04922	4.7
119.08563	30.4
121.06498	10.3
121.10146	21.7
122.07312	9.2
123.04420	5.8
123.08066	6.3
127.03874	2.7
127.07555	3.1
128.06233	6.4
129.06976	12.2
131.08575	25.7
133.06490	13.3
133.10104	13.7
135.08029	12.7
135.11642	16.0
141.06961	5.0
143.08540	8.1
145.06487	11.1
145.10138	14.6
147.08040	20.6
147.11618	8.2
149.09642	3.2
149.13277	7.6
155.08658	2.9
157.10136	5.0
159.08032	5.3
159.11710	9.4
161.09631	16.4
163.11163	6.9
169.10109	5.9
171.11699	6.5
173.04482	4.5
173.13290	4.4
175.11143	6.9
177.12778	5.2
187.14758	4.3
197.13284	4.5
203.14221	3.3
205.15916	3.7
207.13731	3.4
215.14249	3.6
233.15407	7.7
261.14786	3.0
271.16946	2.9
273.18442	10.0
289.18085	5.0
290.18808	13.5
290.47314	3.3
291.19464	4.6
307.19269	6.5
335.25748	100.0
336.26163	5.5
347.22348	3.9
381.22824	20.8
472.87622	3.2
537.51447	3.2
567.40277	7.8
595.39764	10.3
624.42749	4.6
641.44080	62.4
642.43616	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	821.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	21.1
57.07062	1.3
61.02926	70.7
65.03928	2.0
67.05502	29.5
69.03427	28.2
69.07063	6.6
69.42361	6.4
71.01355	3.5
71.04996	5.5
73.02917	20.9
75.04475	1.5
79.05492	19.8
81.03413	20.4
81.07056	29.3
83.01340	1.8
83.04973	3.6
83.08611	3.0
85.02904	100.0
85.06546	1.0
87.04456	3.2
87.17640	0.7
91.03954	51.6
91.05477	12.9
93.07042	21.5
95.04967	4.8
95.08600	23.7
97.02890	70.5
97.06530	2.3
97.10215	1.3
98.21637	0.8
99.04462	11.7
101.02380	5.4
103.03926	8.4
105.07027	8.4
107.04950	1.6
107.08598	12.0
107.54765	0.8
109.02882	11.7
109.06535	2.7
109.10152	11.8
111.04446	3.0
111.08089	1.4
113.09580	0.7
115.03941	7.4
115.05451	0.7
117.05487	2.6
117.06324	0.8
117.07016	5.0
119.08575	9.5
121.10147	11.0
123.04475	1.0
123.08064	0.9
123.11709	5.3
125.05962	0.8
125.09682	0.9
127.03909	34.9
129.05478	5.5
129.07007	1.9
131.08556	10.8
133.06482	1.0
133.10141	7.6
135.07996	1.1
135.11699	8.3
137.13297	1.7
139.03915	1.1
139.11172	0.8
141.05400	0.8
143.08553	2.4
145.04956	28.3
145.10135	6.4
147.06549	0.7
147.08063	0.7
147.11674	5.5
149.09605	1.3
149.13242	5.1
151.11209	0.8
157.10170	1.4
159.06567	2.3
159.07997	0.8
159.11693	4.9
161.13231	3.7
163.06012	16.9
163.11148	0.7
163.12729	0.7
163.14883	2.3
169.10188	1.2
171.06563	2.3
171.07953	1.2
171.11746	2.3
173.13271	5.8
175.11174	1.0
175.14885	2.2
177.12743	1.5
177.16451	1.2
181.10086	0.8
183.06535	7.9
183.11716	1.5
185.13292	2.1
187.14861	2.9
191.14391	0.8
195.11771	1.0
197.13286	1.4
199.11069	0.8
201.07587	5.5
201.16429	0.9
215.14348	0.8
219.08694	1.4
224.13577	0.7
229.07195	1.0
241.19466	1.5
243.21086	4.9
259.20609	2.0
261.22122	17.5
267.15863	1.0
273.22119	1.0
277.21640	1.0
279.23251	1.2
285.21906	1.2
301.21628	1.1
303.23138	3.1
315.23224	1.7
317.24628	1.2
327.23260	1.9
333.24435	1.3
335.25787	51.0
336.26291	1.7
341.24863	1.7
345.24332	1.2
351.23254	2.1
353.26849	1.7
363.25406	1.9
369.24173	3.8
377.26706	3.5
387.25433	1.2
405.26477	1.6
419.28241	1.7
431.27835	1.1
443.27878	5.0
461.29111	4.0
479.30035	10.2
497.31253	3.0
628.23108	0.8
821.41797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.7
61.02922	8.3
62.67984	2.6
65.03929	4.3
67.05505	76.7
69.03436	13.8
69.07072	46.5
70.14076	9.2
73.02887	3.2
79.05493	67.4
80.81180	2.8
81.03428	24.0
81.07058	73.7
83.04976	15.3
83.08614	25.1
85.02907	9.2
85.06528	4.8
91.05486	69.2
93.07047	54.6
95.04974	28.1
95.08606	34.4
97.02893	13.9
97.06541	35.7
97.10175	27.2
98.21426	4.0
99.04450	3.9
105.07031	49.9
107.04956	27.6
107.08584	49.5
109.02869	5.0
109.06499	15.4
109.10172	21.3
111.04494	4.4
111.08083	6.7
113.06012	3.1
117.07021	26.7
119.08590	34.7
121.06490	5.5
121.10153	20.5
123.04422	3.7
123.08051	15.9
123.11719	7.0
125.09631	27.3
127.03929	6.2
128.06216	4.7
129.06996	13.4
131.08571	33.2
131.42854	3.4
133.06471	6.4
133.10123	29.5
135.08119	14.3
135.11681	7.7
136.50072	2.5
137.09627	5.5
142.07794	3.7
143.08545	11.3
145.06503	6.1
145.10112	23.2
147.08038	10.5
147.11694	16.5
148.82690	3.1
149.09621	18.1
149.13213	4.5
151.11177	4.3
155.08559	5.0
157.10138	10.6
159.08055	5.3
159.11684	19.0
161.09669	7.1
161.13284	7.5
163.11200	9.2
165.09120	5.4
169.10110	6.5
171.10213	4.1
171.11674	5.4
173.04501	3.4
173.09605	3.5
173.13203	6.1
175.11171	4.9
177.12798	4.7
179.14348	3.0
183.11710	7.0
185.13313	3.5
187.11200	3.8
187.14850	3.1
189.11230	16.0
189.12787	4.1
193.12257	8.2
196.30563	3.0
197.13266	6.5
205.12248	3.3
207.13701	3.4
211.13269	5.0
223.13185	15.5
227.12801	35.0
229.14465	3.4
245.19170	3.1
249.14806	5.3
255.17569	4.7
257.19055	7.8
267.15887	4.9
273.18524	27.1
275.20062	67.1
291.19519	100.0
293.20914	5.4
313.21579	3.2
331.22812	3.0
347.22220	6.3
349.23718	42.6
365.23312	27.9
397.22498	3.5
405.20053	3.3
513.26746	3.2
517.30682	3.3
519.33563	3.6
535.32062	4.6
541.34985	10.0
543.36658	5.9
559.36121	13.7
621.41364	11.8
632.29712	3.3
639.33661	3.7
639.42651	44.9
640.42273	3.3
657.43597	10.8
801.47345	4.4
819.48645	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	819.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.1
60.05652	0.2
61.02939	0.2
63.02373	0.2
65.03938	0.3
67.05508	0.2
68.99783	0.2
69.03442	0.7
70.73002	0.2
71.01358	0.1
73.02913	0.1
73.04039	0.2
81.03429	0.7
81.07083	0.1
83.02480	0.1
85.02917	0.7
86.03542	0.1
86.53091	0.1
87.00819	0.1
87.06720	3.6
89.03917	1.6
89.04425	0.2
91.05485	8.0
95.04951	0.2
95.08626	0.1
97.02898	0.4
99.04444	0.2
101.03522	0.1
103.05457	0.1
105.07077	0.2
107.08582	0.1
109.02887	0.6
109.06546	0.1
111.06660	0.1
113.04629	0.3
114.03028	0.1
115.06160	0.1
117.03381	3.7
119.04948	0.2
121.02882	0.1
123.04453	0.2
124.05221	0.1
125.04617	0.2
126.03028	0.2
127.03918	1.0
128.06310	0.1
129.01852	0.3
129.07019	0.1
131.04968	0.2
133.06456	0.1
134.03633	0.3
135.04350	0.2
137.05974	0.3
141.04060	1.0
142.04865	1.3
143.05649	100.0
144.06084	0.4
145.02847	9.3
147.04434	0.2
149.05998	1.4
151.03886	0.4
153.07002	0.1
157.06480	0.2
163.03851	0.2
163.07477	0.1
167.05669	0.5
167.07027	4.4
169.06483	0.2
173.05983	0.1
175.03903	0.2
175.07562	0.2
177.05478	13.9
178.05852	0.2
180.84337	0.1
185.06743	0.6
186.05449	0.3
187.07497	0.1
189.05501	0.1
189.09047	0.2
193.08553	0.3
197.05978	0.1
199.07610	0.1
207.06488	0.2
209.06660	0.1
211.09605	0.3
213.03935	0.1
215.07037	0.2
217.08609	0.1
219.06435	0.1
221.04503	0.3
233.08327	0.1
233.10344	2.2
243.06577	0.1
251.07857	0.2
257.08130	0.1
261.07553	0.7
267.06442	0.1
285.07559	0.6
287.05539	0.6
295.05994	0.1
301.07001	0.3
303.08508	0.1
305.07693	0.2
305.10922	2.2
313.06717	0.1
319.10266	0.4
331.07980	0.1
339.07095	0.1
357.07794	0.1
373.09885	2.9
389.08701	0.2
391.10953	1.0
407.09778	0.1
433.06281	0.1
433.12048	2.6
484.64023	0.1
499.13083	0.9
517.14209	3.3
517.78497	0.1
533.13147	0.1
535.15332	0.9
551.14093	0.5
569.15210	0.8
607.18567	0.1
643.20636	0.4
675.17310	0.3
693.19012	0.9
711.19971	3.1
733.25439	0.1
750.02948	0.1
801.24249	0.2
819.25616	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
61.02926	4.1
65.03915	1.1
67.05505	13.1
69.03421	4.5
69.07071	5.4
71.04991	1.8
71.61609	1.3
73.02907	1.7
73.06568	0.9
79.05498	12.9
81.03422	4.7
81.07055	12.7
83.04988	1.8
83.08617	9.4
85.02907	5.8
85.06541	1.4
87.04466	1.0
91.03945	2.3
91.05473	16.6
93.07040	8.7
94.06615	1.1
95.04961	2.8
95.08604	5.1
97.02895	6.3
97.06537	1.5
97.10172	15.3
99.04466	1.1
99.93779	0.8
103.05468	8.0
105.03412	0.9
105.07031	13.4
107.04935	1.9
107.08582	9.2
109.02890	1.7
109.06455	1.4
109.10149	5.5
111.08081	1.2
115.05464	3.5
116.06308	0.8
117.07020	19.4
118.06522	1.4
119.04965	1.7
119.08602	7.6
121.06480	1.2
121.10149	3.9
123.08107	1.8
125.09638	16.1
127.03928	1.9
128.06206	1.8
129.07011	8.8
131.04922	1.2
131.08560	13.0
133.06477	4.2
133.10121	3.1
135.08051	4.8
135.11710	1.3
137.05968	2.2
140.54765	0.7
141.07004	3.9
143.05687	2.1
143.08556	5.9
143.10701	1.0
145.02831	2.0
145.04921	1.4
145.06497	5.1
145.10123	5.1
147.04420	1.0
147.08015	1.6
147.11687	1.7
149.09662	3.2
153.06993	0.9
153.09088	1.7
155.08542	6.5
157.06468	2.5
157.10161	2.5
159.08008	1.8
159.11705	3.1
161.05959	1.1
161.09666	1.1
162.09087	1.5
163.06122	1.0
163.11177	1.6
167.07063	1.8
167.08549	2.2
169.10144	3.7
171.08069	2.6
171.11678	4.0
173.09628	1.1
175.03990	1.5
175.11197	1.2
177.05478	4.5
181.10106	2.0
183.11713	1.1
185.13266	1.3
187.11189	1.2
187.14778	4.3
189.11220	8.3
195.08067	0.9
195.11754	2.2
197.13255	5.8
205.10109	1.2
207.06554	3.7
209.13316	1.0
213.12749	1.8
215.14316	22.5
216.06497	1.1
223.39645	0.9
227.12766	14.4
230.15427	1.7
233.15434	1.3
237.12733	1.1
241.12251	1.5
245.13759	1.2
257.15408	0.9
267.15897	1.1
287.05539	1.9
287.91306	0.8
289.18005	1.0
291.08655	1.2
292.19000	7.3
311.12985	2.0
311.16968	1.1
339.23120	2.0
349.21597	4.6
350.66733	0.9
367.22757	8.1
385.23679	6.6
403.24725	2.5
410.07092	0.9
441.26367	56.1
459.27426	100.0
460.27402	1.4
477.28452	13.5
494.30728	1.1
642.30328	0.9
703.23505	0.9
818.47162	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	815.335
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	4.8
69.03434	6.7
69.07068	7.9
69.28497	22.0
70.06596	3.1
79.05473	2.0
81.03398	2.2
85.02908	5.9
91.05511	4.0
94.06590	14.1
95.04978	3.9
95.85188	1.8
97.02908	3.3
98.21469	3.6
106.06569	3.1
108.08121	2.7
110.06032	2.1
112.07617	2.8
119.04959	3.0
120.08101	4.3
122.06033	45.3
122.06980	1.6
123.04394	2.6
124.07591	3.1
125.84332	2.4
127.03867	4.1
134.06020	20.1
136.07605	5.1
137.05998	3.5
138.05496	2.1
140.07077	77.3
143.05653	38.2
144.04427	3.6
145.02852	5.9
146.06021	20.7
147.04434	3.0
147.06749	3.9
148.07564	33.5
150.05463	4.0
150.09142	2.8
152.07057	3.9
160.07526	2.5
162.05525	6.4
164.07103	8.9
166.08664	10.8
167.07072	2.1
172.03926	21.5
173.04716	3.0
174.05521	26.7
175.03961	3.5
176.07082	100.0
177.05447	15.7
177.07841	2.2
178.08694	2.7
180.06517	3.9
188.07098	4.4
190.04991	12.5
191.05725	4.6
192.06567	7.8
193.07381	2.3
194.08110	15.2
194.09622	1.9
200.07109	3.2
204.06558	32.7
206.08131	11.3
207.06523	4.1
208.09657	21.1
210.07712	2.3
210.11543	2.3
212.09300	2.7
213.10289	3.6
216.06653	2.3
218.08040	2.6
220.05957	2.3
222.07622	7.2
225.10262	3.6
226.10881	2.1
232.09457	2.6
234.07506	2.4
236.09201	3.8
237.10258	5.9
238.10976	5.4
239.11852	8.7
240.19879	2.1
243.11238	11.9
244.09909	2.1
246.07678	2.9
248.09344	4.4
249.10228	3.8
250.10905	5.4
251.08011	2.7
251.11909	13.0
252.12675	3.4
253.09790	2.9
253.13205	2.4
254.10333	5.1
255.11186	3.0
261.12354	3.1
262.10782	4.9
263.09344	1.8
263.11761	12.3
264.08725	3.2
264.12634	4.4
265.09763	15.9
265.13361	6.1
266.10507	9.7
267.11258	14.9
268.12070	1.8
271.14633	2.5
275.11725	2.1
277.09637	4.8
278.10321	11.6
279.11218	37.7
279.13907	2.9
280.08844	2.0
280.12091	8.1
281.09698	1.9
281.12875	5.8
282.09888	2.4
283.10681	4.1
284.11508	2.3
285.12396	10.2
287.13937	33.8
289.09705	2.2
291.11322	8.6
292.12115	4.5
293.09567	2.5
293.12839	6.6
294.09811	8.1
295.10806	7.1
295.14139	2.3
296.11261	24.9
297.12289	21.6
298.13077	3.8
299.13922	3.1
301.12003	2.7
303.13712	16.3
305.09167	5.2
305.12744	3.1
306.09866	4.9
307.10742	14.1
308.11536	5.2
309.12338	22.9
310.12817	3.9
311.13937	4.5
313.11905	24.7
313.15375	4.6
314.12515	10.3
315.13528	7.4
318.10077	2.1
319.10843	19.2
320.11618	2.7
321.12234	13.6
322.13113	8.6
323.10159	6.5
323.13898	5.8
324.11075	10.0
325.11887	6.8
331.12976	8.7
333.12238	3.1
335.10181	4.7
336.10953	2.5
337.11844	24.3
338.12607	5.8
339.13510	18.8
340.14221	2.8
345.14420	8.0
347.10318	2.9
347.16028	11.1
349.11795	5.0
351.13196	4.1
356.13809	4.4
357.14499	2.3
361.11838	6.0
363.13470	2.7
365.11334	5.5
366.12155	3.3
367.12994	8.2
368.13721	3.2
369.14737	8.9
371.16141	3.5
372.13388	6.8
373.14139	6.1
374.14960	4.0
375.13358	3.9
377.11154	5.4
379.12866	9.5
381.14529	2.5
383.12131	4.7
385.14011	3.4
387.15613	6.3
388.16522	7.3
389.11014	3.0
391.12924	5.8
396.13245	3.4
397.13943	6.6
398.14828	3.3
399.15802	2.5
400.16547	5.9
403.12787	3.2
404.16254	2.3
405.14612	3.1
407.12112	3.5
409.13879	8.3
410.14578	2.5
411.16013	2.1
414.18198	3.1
416.15988	40.3
417.16898	4.1
419.12604	4.7
421.14233	2.6
423.15649	3.5
427.14853	10.4
428.15894	2.7
433.14099	4.4
434.14639	3.1
435.17670	4.1
440.15939	3.1
441.16443	3.4
449.13290	4.7
451.14844	8.8
458.17459	4.2
459.17374	4.5
460.18268	4.2
467.14539	8.4
468.15268	4.0
469.16025	14.4
470.16943	6.9
476.18237	26.9
478.19827	2.9
480.21103	5.3
482.17139	3.2
485.15768	9.7
486.15976	3.4
487.17029	23.9
501.18631	2.6
508.20953	2.9
517.18451	2.9
519.19788	4.5
523.42841	2.1
524.20142	5.0
534.22418	4.3
538.21796	2.6
560.19843	4.5
564.23254	5.1
572.20923	2.3
574.21539	7.6
582.24634	15.4
590.21161	8.3
592.22742	7.0
598.23578	3.5
599.25043	7.6
600.25037	4.0
608.22449	45.1
609.22144	3.4
610.23926	26.9
617.26202	22.4
622.23248	3.8
624.24286	2.7
626.23505	38.8
628.24921	36.1
635.27301	3.4
640.24957	22.4
641.25800	11.2
642.26428	10.3
644.24304	3.5
649.28290	3.5
658.25769	7.4
660.27795	11.9
729.26868	5.3
747.28467	6.5
765.29779	6.0
783.30896	20.1
815.31653	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	815.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05639	0.3
61.02932	0.2
65.03932	0.3
67.05503	0.2
68.99784	0.2
69.03426	0.8
70.06595	0.1
70.13786	0.5
71.01331	0.1
71.04984	0.2
73.02903	0.1
73.04048	0.1
79.05486	0.3
79.21336	0.1
81.03413	0.9
81.07066	0.2
83.02482	0.2
83.04972	0.2
85.02915	0.7
85.06580	0.1
86.03555	0.1
86.09717	0.1
87.00845	0.1
87.06717	3.7
88.69202	0.1
89.03917	0.2
90.84519	0.1
91.05484	4.0
93.07039	0.1
95.04976	0.3
95.08580	0.2
95.44904	0.1
97.02894	0.6
97.06511	0.1
98.20766	0.1
99.04463	0.2
101.03539	0.1
103.05444	0.3
105.03391	0.1
105.07023	0.3
107.04932	0.1
107.08606	0.2
109.02879	0.9
109.06512	0.1
109.10158	0.2
111.04388	0.1
113.04577	0.2
114.03039	0.1
115.05460	0.1
117.03312	0.1
117.07028	0.1
118.43206	0.1
119.04945	4.9
119.08541	0.2
121.10208	0.1
123.04451	0.2
125.04578	0.2
126.03041	0.2
127.03054	0.2
127.03928	1.3
129.01840	0.1
131.04910	0.3
132.02109	0.2
133.02863	0.1
133.06496	0.2
133.10139	0.2
135.04391	0.1
137.05946	0.5
139.03941	0.1
141.04063	0.8
141.07007	0.1
142.04836	0.3
143.05644	100.0
144.06146	0.5
145.02835	0.3
145.04970	0.1
147.04416	4.7
149.02338	0.1
149.06026	0.2
151.03839	0.2
153.05469	0.1
155.05678	0.1
157.03983	0.2
159.02957	0.1
161.06042	0.4
162.03108	0.1
163.03871	0.1
163.07576	0.2
164.04677	0.1
167.05644	0.5
167.07069	0.6
167.08333	0.1
173.92973	0.1
175.03912	7.8
177.05473	0.7
179.07034	0.4
181.05017	0.1
185.06784	0.7
189.05373	0.1
191.06978	0.1
193.08717	0.1
197.11839	0.1
207.06531	11.6
208.06827	0.2
209.06717	0.2
213.03984	0.1
219.06442	0.2
219.10103	0.1
241.05156	0.1
249.07704	0.3
251.05539	0.2
263.09210	0.1
271.06039	0.5
287.05554	0.6
287.09308	0.2
291.08591	0.3
297.07663	0.2
303.05026	0.1
305.10910	2.4
313.06973	0.1
315.08752	0.5
325.07401	0.1
335.16983	0.2
339.07144	0.1
349.11475	0.3
351.10428	0.1
357.08157	0.1
371.26019	0.1
373.09924	2.3
391.10944	0.5
419.09976	0.2
433.12051	2.8
437.10788	0.1
481.12048	0.1
499.12842	1.0
508.21011	0.1
517.14160	3.5
535.15247	1.5
581.14795	0.4
599.16266	1.0
609.22229	0.4
653.33984	0.2
705.19226	0.1
723.20538	0.5
741.21021	3.2
797.40259	0.1
815.29816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
60.05645	0.2
61.02916	0.1
65.03933	0.3
67.05493	0.3
68.99788	0.3
69.03426	0.9
69.07072	0.2
71.01341	0.1
71.04983	0.1
72.08158	0.1
73.02925	0.2
73.04047	0.1
74.76363	0.1
77.03916	0.1
79.05496	0.4
81.03415	0.9
81.07048	0.3
83.02460	0.1
83.08608	0.1
85.02914	0.7
86.03520	0.2
87.06717	3.5
89.03898	0.1
91.05484	3.5
93.03407	0.1
93.07030	0.3
95.04977	0.3
95.08603	0.3
97.02930	0.6
98.03524	0.2
98.21616	0.2
99.04434	0.2
101.03514	0.2
103.05483	0.2
105.07074	0.2
107.04943	0.2
107.08592	0.3
109.02886	0.9
109.10146	0.2
110.06025	0.1
111.06681	0.1
113.04606	0.3
115.06190	0.1
117.03354	0.1
119.04948	4.8
119.08585	0.2
120.05241	0.1
121.02902	0.1
121.06551	0.1
121.10153	0.2
123.04430	0.2
125.04586	0.2
125.09666	0.1
126.03013	0.3
126.71371	0.1
127.03924	1.2
129.01840	0.2
129.07008	0.1
131.04913	0.2
132.02077	0.2
133.06480	0.1
133.10120	0.2
135.04437	0.1
135.11703	0.2
136.53717	0.1
137.05998	0.4
137.13202	0.1
140.29367	0.1
141.04079	1.2
142.04878	0.3
143.05644	100.0
144.06065	0.6
145.02876	0.3
145.04987	0.1
147.03220	0.2
147.04411	4.4
147.11717	0.1
149.02341	0.1
149.09596	0.1
151.03877	0.2
155.05693	0.1
157.03981	0.3
161.06001	0.2
163.03873	0.2
164.04691	0.2
167.05646	0.4
167.07063	0.8
175.03914	7.6
176.04401	0.2
177.05504	0.6
179.07066	0.3
185.06699	0.7
189.05380	0.2
189.09058	0.1
191.07018	0.2
193.08684	0.1
197.11760	0.3
201.05643	0.1
203.06900	0.1
207.06534	11.6
208.06818	0.2
209.08266	0.1
213.03918	0.2
219.06485	0.2
242.69594	0.1
243.06645	0.1
245.08170	0.1
247.24448	0.1
249.07523	0.1
251.05536	0.3
262.17911	0.1
269.08591	0.1
271.06146	0.3
278.77438	0.1
287.05566	0.3
287.09192	0.1
291.08633	0.4
297.07571	0.1
305.10895	2.1
315.08704	0.5
317.54861	0.1
335.17084	0.2
349.11533	0.3
357.08118	0.1
373.09930	2.1
391.11017	0.6
419.09570	0.3
433.12036	2.4
437.10699	0.2
455.12042	0.1
481.11380	0.1
499.12915	0.9
517.14124	2.9
518.14429	0.1
535.15198	1.1
581.14948	0.4
599.16235	0.9
609.22272	0.3
653.35254	0.3
705.19531	0.2
723.19720	0.7
741.20911	2.4
815.28198	0.8
815.37726	0.1
815.42773	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	813.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43184	4.5
71.14790	10.5
87.66394	3.6
88.90786	3.8
96.03281	3.7
98.90949	3.5
105.02168	3.0
134.02287	3.1
147.51180	3.7
151.09814	4.3
177.77225	3.7
196.22691	3.9
240.43423	3.7
271.07251	3.8
395.77835	3.5
622.31879	4.5
813.49237	100.0
814.48865	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	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
61.02930	5.4
67.05511	5.5
69.03436	3.2
69.07073	1.4
70.66776	1.8
71.01359	0.7
73.02914	3.5
79.05501	4.4
81.03425	1.8
81.07051	6.2
81.34885	0.6
83.08660	0.8
85.02911	5.8
88.40405	0.7
90.34015	0.6
91.03937	3.2
91.05482	3.0
93.07028	4.3
95.08614	3.8
97.02883	4.7
99.04481	1.1
101.02398	2.4
103.03908	0.7
105.07040	2.3
107.08618	2.7
109.02897	0.7
109.10178	2.0
119.08617	2.3
121.10154	2.0
127.03953	1.4
133.10185	1.3
135.11719	0.8
159.11777	0.8
185.04161	0.7
203.05389	0.9
243.08548	2.5
261.22363	0.8
301.09174	0.8
301.53558	0.7
340.20435	0.7
355.75232	0.6
373.11139	0.7
519.29266	11.2
535.28845	3.6
591.31647	0.8
757.43268	0.8
813.51184	100.0
814.51575	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	811.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
57.93104	0.7
61.02933	5.3
67.05501	6.4
69.03436	3.7
69.07054	1.7
71.60632	1.0
73.02933	4.4
79.05502	4.2
81.03425	1.7
81.07060	5.4
85.02909	3.6
91.03960	2.5
91.05492	3.0
92.00868	0.6
93.07047	4.2
95.04984	0.9
95.08599	4.1
97.02887	5.2
99.04480	0.8
101.02425	2.1
105.07025	2.5
107.08613	2.4
109.10133	1.4
117.06995	1.3
119.08619	2.4
121.10160	2.0
127.03927	2.3
131.08577	1.1
133.10139	1.7
133.86761	0.7
145.10149	0.7
147.11707	0.8
153.06798	0.6
154.52730	0.7
159.11795	0.9
243.08559	2.3
288.48221	0.8
315.19431	5.8
356.58881	0.7
519.29309	9.4
533.27374	3.9
811.49664	100.0
812.49988	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	811.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
59.04989	0.5
61.02925	5.7
67.05507	5.5
69.03435	3.6
69.07067	3.6
71.05000	1.7
73.02921	4.2
79.05493	5.3
81.03424	4.6
81.07063	5.5
83.04976	1.0
83.08621	1.1
85.02901	5.2
87.04473	1.0
91.03974	2.5
91.05483	5.2
93.07042	4.1
93.52873	0.4
95.04996	2.5
95.08607	2.7
97.02906	3.8
97.06536	1.4
97.10175	0.5
98.20719	0.9
99.04467	0.8
101.02384	2.4
103.03967	0.5
105.07043	3.0
107.04995	0.6
107.08599	2.4
109.02866	0.5
109.06515	0.7
109.10198	1.0
111.08093	1.0
111.35979	0.5
118.98024	0.5
119.08569	2.3
121.06530	0.5
121.10181	1.9
123.08100	0.7
125.09585	0.6
127.03938	1.4
129.07031	1.2
131.08589	2.3
133.06462	0.5
133.10165	1.8
135.11729	0.8
145.10175	0.4
147.11736	2.1
149.09659	2.0
157.10173	1.3
163.11214	0.6
175.11176	0.6
185.04337	1.2
193.12350	1.7
203.05470	0.5
207.13776	0.5
229.79311	0.5
243.08470	4.2
260.74219	0.5
267.15973	1.0
283.15231	4.6
315.10956	0.6
323.18420	0.7
333.20383	1.7
339.17874	1.2
389.23138	0.6
439.19498	1.0
453.21097	1.1
459.77875	0.5
469.20892	0.7
501.23074	15.6
501.61823	0.5
551.28247	7.8
608.85883	0.5
700.01086	0.5
713.37524	1.0
719.14716	0.5
721.37610	0.9
780.64948	0.6
811.44482	100.0
812.44946	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	811.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.1
61.02922	4.7
67.05505	5.2
69.03428	4.0
69.07079	1.5
71.04999	2.0
71.09630	0.5
71.61214	0.9
73.02911	3.8
77.70482	0.5
79.05485	5.4
80.88531	0.5
81.03419	3.9
81.07050	6.2
83.08624	1.4
85.02902	4.0
85.06555	0.8
87.04459	0.7
91.03961	2.7
91.05472	6.5
93.07042	5.4
95.04981	1.9
95.08624	2.6
97.02894	4.8
97.10203	0.7
99.04456	1.8
101.02428	1.9
105.07027	4.5
107.04972	1.1
107.08587	2.7
109.06618	0.5
109.10158	1.2
111.08116	0.5
117.07030	1.3
119.08569	2.6
121.10117	2.8
127.03946	1.2
129.07039	1.6
131.08614	2.5
133.10172	1.9
135.11726	0.7
143.08586	1.1
145.10095	0.8
147.11755	1.7
149.09659	1.9
157.10167	1.6
159.11697	0.9
175.11221	1.1
185.04277	0.9
193.12244	0.9
225.14920	0.7
231.24338	0.5
243.08308	2.7
259.07983	0.7
269.27774	0.5
283.15079	4.3
287.05743	0.6
333.20419	3.3
339.17960	1.0
389.23071	0.9
465.20844	4.6
469.20682	1.3
501.16086	1.3
501.22964	11.5
551.28192	7.0
552.28833	1.0
725.36584	1.1
793.38910	0.7
811.44446	100.0
812.44904	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	811.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
63.86059	0.5
65.03944	1.3
67.05492	2.8
68.99783	0.9
69.03429	3.0
69.07058	1.3
69.96629	2.8
70.06573	0.8
70.28925	0.6
71.04697	0.5
71.05000	4.9
73.31097	0.5
79.05492	1.5
81.03410	3.1
81.07046	1.4
83.04973	0.9
84.08141	1.0
85.02906	6.4
85.06613	0.7
85.56275	0.5
86.09740	0.6
87.06723	0.7
91.04935	0.5
91.05480	9.7
93.07033	6.9
94.06561	2.6
95.04979	3.7
95.08604	1.2
97.02898	1.7
98.21548	0.6
99.04463	0.9
105.07040	1.1
107.04939	0.9
107.08580	0.9
108.08130	3.8
109.02872	3.1
110.06032	0.6
111.04461	0.7
111.08092	3.2
117.07043	0.7
119.04938	3.0
119.07333	1.1
120.08079	1.7
121.02810	1.1
121.06500	1.9
122.02482	0.7
122.06041	4.2
122.09642	0.7
123.04425	1.1
124.03964	0.7
124.07586	0.9
127.03931	4.0
129.05530	1.3
132.08090	1.4
134.09651	5.0
135.08015	2.4
136.07579	6.2
137.06010	2.0
138.09157	0.7
140.07074	1.4
143.05650	16.4
145.02824	1.0
145.06529	1.0
146.09615	0.9
147.04408	2.1
147.06854	1.2
147.07965	0.8
148.07573	1.7
149.09622	0.8
150.09149	2.2
152.10698	2.6
153.01817	4.2
154.04961	0.8
160.07523	1.1
161.05968	0.7
161.10832	1.0
162.05423	0.7
162.09151	25.4
163.03981	1.1
163.07573	2.1
164.07089	0.7
166.08650	1.4
167.07004	3.1
170.09708	1.0
171.02866	1.4
171.09175	0.8
172.07559	0.8
173.10741	1.1
174.09181	1.1
175.03856	3.0
175.08664	0.7
177.05498	2.7
180.08618	1.0
180.10207	20.5
187.08615	1.8
188.09454	0.9
189.10258	0.9
190.08606	3.5
197.10657	1.0
199.08719	2.6
199.12306	0.8
201.10222	7.4
203.11830	0.6
207.06566	4.8
208.09697	35.2
209.10138	1.1
211.08539	0.9
213.06578	1.4
213.10219	3.4
214.54523	0.6
215.08252	4.0
215.11800	3.5
216.08972	2.7
223.08752	0.8
225.10333	2.2
227.08189	9.1
227.11646	2.8
228.08815	0.9
229.09714	10.4
229.13272	1.2
237.10251	1.5
239.08189	0.9
239.11845	2.1
241.09784	4.7
243.11285	6.0
245.09297	0.9
245.12804	1.1
247.10773	0.7
248.09297	0.9
249.10211	1.4
251.11832	1.9
253.09773	3.3
255.11299	2.0
257.09183	0.9
259.10736	2.3
261.12402	3.0
263.11804	5.2
265.09738	2.8
265.13290	2.0
266.10638	1.0
266.13898	0.7
267.11353	3.4
269.09277	2.9
269.12747	1.0
271.06030	100.0
271.10782	6.5
272.06317	4.9
279.11301	3.8
281.09064	1.1
282.66815	0.6
283.10870	1.9
285.12253	1.2
287.05490	0.9
287.10281	3.5
287.13773	1.1
289.11887	5.8
291.11313	2.2
293.09283	1.3
293.12878	1.7
295.10837	2.8
295.14221	0.7
297.12213	1.6
299.10178	1.1
299.13593	0.6
301.11850	2.1
303.13324	1.7
309.12418	3.0
311.10397	1.1
311.13718	1.5
313.07166	0.9
313.11774	1.9
321.14578	1.4
323.10223	1.5
323.13898	1.7
325.11917	1.0
327.13223	0.9
329.11313	1.5
331.12955	3.7
337.11917	1.3
343.13083	0.8
344.13596	0.8
345.14761	0.8
351.13486	1.1
353.11420	0.9
355.12891	1.8
357.14600	1.1
360.17056	0.8
361.14017	1.8
363.15726	1.2
369.10965	1.1
369.14737	2.0
370.15598	0.8
371.16122	1.2
372.17340	0.9
373.14386	0.7
376.67950	0.7
381.09543	0.8
385.13684	0.7
387.15506	1.0
388.16299	0.7
391.15518	1.0
395.12656	1.0
397.13934	2.1
400.16840	0.9
403.15176	1.1
410.16882	0.8
411.15305	1.6
413.13290	1.3
415.14978	4.1
421.16098	0.8
427.14941	1.0
429.16656	1.8
430.17529	0.7
431.14764	0.9
432.19171	0.8
433.16122	2.3
442.19958	3.5
445.15778	3.9
447.17587	3.8
449.15070	0.9
450.21045	0.6
451.17175	1.1
453.16876	0.9
457.16272	0.9
463.17184	4.9
465.18710	3.4
471.17596	1.8
476.18268	0.7
481.17661	2.1
483.19440	1.1
484.20801	4.2
492.21133	1.1
508.20654	1.7
510.22382	1.8
513.18713	1.7
517.18231	0.7
518.19153	2.0
519.11188	1.7
526.21899	0.9
531.19574	2.0
536.20367	3.7
549.20453	1.1
550.22198	4.1
554.21204	2.2
568.22992	9.6
572.22601	3.3
586.23969	21.4
599.24158	0.8
602.20642	1.1
604.25018	19.2
605.25220	0.8
617.25409	1.3
618.24243	1.5
620.22723	0.7
622.24139	1.4
631.27893	0.9
634.23645	1.9
636.25385	1.2
638.23029	0.8
640.25049	1.9
648.13660	0.7
649.28418	2.6
652.24640	3.3
654.26697	5.6
656.24908	0.9
665.16925	5.7
670.25464	1.3
672.27502	1.1
688.27148	0.7
691.30133	1.6
725.27625	0.9
743.28540	1.3
757.30188	2.1
761.30231	1.3
775.31970	2.9
793.32977	5.2
811.33698	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	809.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.8
57.03438	3.9
58.19146	0.8
59.04999	1.1
60.81802	0.8
61.02932	5.1
67.05509	7.6
69.03435	3.0
69.07063	1.5
71.05002	1.6
71.60892	1.4
73.02914	4.0
79.05495	6.5
81.03420	6.2
81.07046	6.1
82.67068	0.8
83.04992	2.5
83.08634	1.8
83.24452	0.8
85.02901	7.0
85.06534	1.7
91.03970	2.8
91.05475	6.9
93.07052	4.8
95.04987	3.6
95.08624	4.9
97.02898	4.9
97.06538	1.6
101.02370	2.1
105.07043	6.0
107.04968	2.5
107.08614	3.1
109.02899	1.8
109.06545	2.0
109.10158	2.6
111.08138	1.3
119.08608	3.7
121.10178	2.6
127.03933	1.9
129.07056	1.0
131.08586	2.6
133.10100	4.1
135.08101	1.7
135.11699	0.9
145.10176	1.2
147.11685	1.5
149.09659	1.5
151.11183	1.0
157.10179	1.9
175.11288	1.8
185.04297	1.0
193.12300	2.3
243.08513	3.8
244.78458	0.8
259.08124	1.1
259.32504	0.9
283.15289	3.8
313.17953	1.0
320.51941	1.0
331.18961	2.5
339.17877	1.3
387.21994	1.0
387.89380	0.9
451.19565	1.7
452.68405	1.0
501.22931	14.4
531.25665	2.4
549.26947	3.7
639.30206	2.8
711.35455	3.5
791.41766	11.0
809.42834	100.0
810.43274	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.4
59.05011	0.8
61.02932	4.3
66.92690	0.5
67.05507	6.5
69.03439	4.4
69.07067	3.6
70.06576	0.5
71.04993	2.0
71.60358	0.7
73.02918	3.4
79.05494	4.7
81.03421	5.7
81.07063	5.7
83.04983	1.8
83.08640	2.3
85.02911	4.7
85.06556	0.8
87.04477	0.6
91.03967	1.9
91.05484	5.3
93.07046	3.7
95.04983	2.1
95.08617	3.0
97.02901	6.0
97.06535	1.5
97.10197	1.5
99.04464	1.0
101.02386	2.5
103.03918	0.5
105.07018	3.7
107.04976	1.3
107.08600	2.8
109.02883	0.8
109.06499	0.7
109.10182	1.9
111.08106	0.8
117.07055	1.3
119.08601	2.9
119.97500	0.4
121.06519	0.5
121.10141	2.4
123.08079	0.6
125.09648	1.3
127.03978	1.5
129.05518	0.7
129.07036	0.9
131.08604	2.0
132.06606	0.5
133.10155	1.9
134.10440	0.5
137.09682	0.6
143.08528	0.7
145.10085	0.5
147.11723	1.7
149.09639	2.0
157.10155	1.6
175.11252	1.1
177.12959	0.4
185.04292	1.0
193.12318	1.8
203.05264	0.7
223.13405	1.9
225.14851	0.8
243.08463	3.4
267.16034	1.1
269.10809	0.7
283.15167	3.0
291.19690	1.9
301.08987	0.9
331.18948	2.0
339.17902	1.0
365.15350	0.7
381.61337	0.5
445.67853	0.5
461.49222	0.6
471.22690	1.5
501.23053	13.3
501.30338	0.7
549.26898	8.6
549.35229	0.6
573.24939	0.5
629.45276	0.7
791.50732	0.9
809.42926	100.0
810.43335	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	808.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.8
57.07074	3.8
61.02923	3.8
67.05170	5.8
67.05508	74.3
69.03433	3.8
69.07076	23.3
70.45029	13.2
79.05495	54.0
81.07056	71.9
83.08630	9.9
91.05479	42.7
93.07047	57.3
95.04972	10.1
95.08603	47.7
97.10146	3.3
98.21555	4.1
105.07023	43.7
107.08598	28.4
109.06522	5.5
109.10164	20.4
111.08158	4.2
117.07014	17.5
119.08577	26.1
121.10152	25.3
121.60289	3.2
123.11699	4.9
129.06975	4.7
131.08562	24.2
133.10126	28.0
135.11716	15.3
143.08545	3.8
145.10118	15.9
147.11650	17.1
149.13306	7.1
157.10146	5.8
159.11708	12.4
161.13335	9.4
171.11684	4.4
173.13336	9.8
185.13316	5.9
187.14874	11.5
199.14767	3.8
209.11954	3.5
241.19514	8.9
257.19104	4.1
259.20596	26.7
261.22067	5.8
271.89499	3.4
277.21649	16.2
333.24194	8.9
335.25803	100.0
351.25320	31.3
366.56262	3.3
429.82162	3.9
471.48090	3.8
529.39166	4.2
611.46844	29.3
652.41827	3.6
765.87250	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	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	14.5
57.07079	8.3
65.03922	8.4
67.05506	88.5
69.07057	25.4
71.60406	8.0
75.17051	5.7
79.05489	73.9
81.07063	90.2
83.08602	12.4
91.05487	75.6
93.07043	84.4
95.04964	10.5
95.08604	69.3
97.00911	5.7
97.10180	6.4
105.07043	78.7
107.08592	45.7
109.10170	26.2
117.07025	25.5
117.10900	7.0
119.08567	66.3
121.10167	36.7
123.11594	6.2
129.07010	11.9
131.08592	33.9
133.10136	38.6
135.07993	5.9
135.11673	25.1
143.08514	14.3
145.10126	22.8
147.11687	38.1
149.13237	18.6
157.10088	9.7
159.11665	21.3
161.13263	29.8
162.07590	7.1
163.14709	7.5
171.11687	10.6
173.13315	17.5
175.14799	14.9
185.13335	11.1
199.14842	6.5
237.48836	6.1
241.19492	17.7
259.20618	43.3
261.22223	12.9
279.45004	7.2
333.24243	43.5
335.25867	100.0
593.45740	10.9
611.46643	52.7
690.86163	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	808.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
61.02915	0.3
63.02381	0.1
65.03938	0.1
66.04725	0.1
67.05506	0.3
68.99786	0.2
69.03429	0.9
70.06576	0.1
70.96663	0.2
71.04977	0.1
73.02906	0.2
78.04709	1.2
79.05492	0.8
80.25909	0.1
81.03416	1.5
81.07050	0.4
83.04973	0.1
85.02905	1.5
87.00802	0.2
91.05479	1.7
93.07061	0.5
95.04985	0.6
97.02898	1.0
99.04444	0.5
103.05453	0.3
105.07027	1.0
106.04183	0.6
107.04956	1.3
109.02876	1.5
109.06499	0.3
109.10130	0.1
113.60904	0.1
115.05459	0.3
117.07018	0.5
119.04923	0.3
119.08579	0.1
120.04311	0.1
121.02868	0.1
121.06475	0.6
121.10136	0.2
122.03619	0.2
123.04428	3.7
123.05324	0.2
124.05214	1.6
127.03918	1.6
129.01822	0.2
129.07069	0.1
131.04904	0.2
131.08522	0.2
133.06487	1.0
133.10138	0.2
134.03613	0.2
135.04414	0.2
136.06192	0.2
136.07623	0.1
137.02322	0.2
137.05952	0.8
141.01823	0.3
143.05635	0.7
144.05684	0.1
145.02821	0.2
145.04988	0.5
145.06485	0.9
147.02896	0.1
147.04388	0.2
147.08067	0.1
149.05948	0.8
151.03897	0.7
151.07533	0.2
152.04674	1.1
153.05518	0.2
156.05719	0.2
157.06509	0.1
159.02960	0.1
159.08035	0.3
161.05974	0.8
162.07639	0.2
163.04024	0.2
165.05481	0.1
166.06343	0.1
167.07040	100.0
168.04221	0.1
168.07375	1.5
173.05974	1.3
175.03897	0.3
175.07530	0.2
177.05440	0.5
179.07014	0.5
181.04918	0.2
181.08582	0.9
187.07573	0.2
189.03891	0.1
189.05530	0.1
190.06276	0.8
191.07060	0.2
193.08604	4.8
202.06213	0.1
203.07065	0.2
205.08600	2.4
207.06471	0.7
208.06793	0.1
209.08080	0.2
211.09660	9.9
213.04008	0.3
215.07101	0.1
217.08585	1.2
219.10257	0.4
225.10181	0.1
231.04887	0.2
235.09651	0.6
242.09976	0.1
245.04430	0.2
247.09616	0.4
251.11963	0.1
263.11655	0.1
265.10773	1.2
265.13373	0.1
269.08038	0.1
271.06152	0.1
285.12311	0.2
287.05499	0.3
293.08029	0.1
301.07101	0.2
315.08517	0.2
330.10910	0.3
331.11969	0.2
336.10458	0.1
353.15601	0.1
357.08124	0.1
371.15060	0.4
375.09097	0.2
383.14877	0.8
401.15924	1.2
402.16574	0.1
561.43567	0.1
618.24408	0.1
636.25165	0.2
646.34583	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	807.345
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	5.6
67.05502	16.9
68.99790	3.3
69.03430	13.9
69.07063	2.9
70.00853	14.1
71.04987	4.8
73.02917	3.3
75.34584	2.5
77.07428	2.6
79.05495	15.0
80.05062	4.7
81.03424	15.8
81.07068	12.8
82.06574	5.5
83.04967	4.6
85.02911	14.8
89.81330	2.5
91.05490	30.8
93.07051	22.8
94.06566	36.4
95.04973	15.0
95.07352	19.5
95.08605	9.1
96.08137	44.0
97.02894	10.1
97.06534	8.3
99.04440	4.7
103.05482	6.6
105.07012	9.2
107.04961	8.1
107.07348	4.3
107.08588	6.6
108.04472	14.3
108.08118	44.8
109.02867	11.3
109.06508	2.7
109.08914	3.4
109.10170	3.2
110.08904	3.7
110.09682	69.7
115.05505	3.4
117.03345	2.9
119.04943	12.3
119.08569	8.3
120.08117	57.6
121.06516	6.2
121.10156	6.1
122.06052	26.1
122.09696	6.3
123.04420	6.9
124.07545	4.6
127.03911	12.0
131.04906	3.8
131.08609	5.9
132.04472	3.6
133.06483	4.9
133.10112	10.2
134.06010	6.2
135.04459	4.4
135.08040	3.3
136.06114	3.9
136.07597	29.4
137.05984	14.1
137.09569	5.3
138.09143	90.8
138.10210	5.1
143.05646	42.2
143.08611	2.8
145.02843	8.3
145.06505	3.4
145.10143	4.0
146.06059	4.8
147.04413	16.6
147.11797	6.1
148.07550	20.0
149.06021	6.0
149.09607	4.6
149.13251	3.1
150.09146	10.4
151.03851	5.0
151.07520	3.9
152.07111	3.6
160.03931	24.6
160.07614	3.7
161.05986	5.5
163.03957	4.5
164.07115	9.2
166.08646	78.7
167.07060	54.5
168.07463	5.0
172.03929	6.8
173.05937	4.4
174.09030	2.8
175.03952	21.9
176.07021	3.1
177.05460	14.2
178.04964	6.7
179.06978	4.7
181.04953	9.9
181.08647	3.7
182.09560	3.2
191.07144	2.9
191.14400	3.5
192.06581	2.9
193.08592	4.4
197.10818	4.1
199.08650	6.8
201.10321	3.7
204.06551	7.2
207.06537	37.2
207.13792	2.6
208.07001	4.0
208.09627	2.9
209.15451	3.4
210.11452	3.7
211.08725	11.5
211.12294	12.5
213.10272	13.3
216.10435	3.3
221.10655	4.5
222.11505	3.9
223.08723	13.2
223.12337	7.0
224.09337	6.9
224.13034	4.9
225.10240	46.3
225.13829	3.8
226.10950	23.0
227.11781	25.6
232.09456	3.3
235.08667	3.6
235.12250	5.0
236.09386	11.1
236.13283	3.1
237.10225	25.5
237.13896	8.8
238.10909	20.7
239.08191	23.9
239.11810	86.7
240.12587	18.9
241.09689	6.8
241.13309	8.2
246.11223	5.3
248.09409	4.9
249.10083	19.7
250.11017	25.9
251.08209	12.4
251.11790	70.9
252.08890	7.2
252.12590	12.0
253.09756	28.0
253.13351	65.9
254.10489	28.0
254.14055	4.9
255.11287	2.7
257.12888	5.2
263.09076	4.2
263.11810	46.3
264.08896	6.2
264.12549	11.3
265.09781	25.3
265.13354	74.1
266.10553	21.7
266.14096	9.3
267.11298	45.9
267.14923	8.7
268.11984	9.8
269.12796	7.5
271.06058	17.7
271.10800	11.8
275.11884	4.1
277.09760	5.9
277.13306	6.0
278.10599	9.7
279.11298	38.0
280.12036	8.8
281.09698	6.3
281.12845	87.5
282.13354	4.6
283.10791	17.6
283.14447	8.0
284.11163	5.6
285.09872	2.1
285.12424	37.4
286.13156	10.7
287.05502	19.8
291.11371	16.3
293.09525	4.8
293.12787	29.6
294.13626	3.0
295.10721	9.0
295.14471	11.9
296.11630	6.7
297.12396	24.0
298.13272	7.4
299.13947	34.9
307.10730	6.3
309.08725	5.8
309.12347	100.0
310.13025	5.9
311.13925	50.5
312.14487	5.0
313.15436	8.8
314.12741	3.8
319.10754	6.4
320.11304	4.4
321.12460	17.2
323.13898	7.3
325.11914	6.9
326.12445	3.7
327.13412	93.9
337.11780	16.2
338.12585	6.8
339.13480	22.1
341.14966	71.9
344.13943	4.6
351.13354	10.3
353.14975	23.4
355.12943	3.2
357.14389	10.6
359.16077	10.0
369.14511	65.5
370.15509	3.9
371.16046	38.7
372.16873	4.0
381.14578	4.3
383.15976	7.8
387.15552	3.8
388.16452	3.6
399.15533	3.3
400.16360	6.5
401.17053	5.8
407.15793	4.4
411.15521	27.8
413.17300	15.3
414.18073	5.2
416.19666	7.6
419.16019	4.2
423.15982	3.5
425.16983	9.7
429.16629	20.1
430.17682	8.0
432.19211	11.4
434.20569	3.4
435.15576	15.8
439.14725	3.5
441.16333	6.6
442.17410	10.0
443.18292	15.1
444.18887	3.5
446.20572	3.9
448.18610	18.6
453.16550	48.5
455.18063	8.7
460.18661	31.1
462.20432	4.8
465.16351	6.5
467.18073	6.5
469.15927	4.4
471.17560	44.1
473.19254	17.2
474.20331	17.2
480.21439	35.6
481.16037	3.4
483.17691	7.3
485.19449	10.1
492.21310	66.9
497.19614	7.0
501.18594	4.9
502.19644	4.4
503.20203	8.5
506.22888	4.0
513.18597	13.5
515.19940	15.3
522.22278	30.8
531.19678	9.3
533.21350	12.7
534.22418	20.5
542.22736	3.8
556.20502	7.5
562.21588	9.4
568.20691	8.0
574.21881	17.9
586.22260	18.1
588.23779	17.4
592.22961	27.5
594.24597	46.5
595.24902	5.4
600.23425	21.6
603.25348	4.1
604.22693	14.0
606.24512	50.6
613.26459	19.7
614.25195	3.0
618.24347	38.8
622.23877	3.4
624.25500	79.9
632.25806	4.2
635.23938	3.5
636.15936	4.9
636.25610	65.3
652.24817	4.8
654.26764	18.3
664.25397	5.3
667.27026	3.3
668.27551	4.1
685.27594	4.1
693.29303	13.0
707.30304	12.8
711.29938	4.3
721.29089	14.4
725.31519	36.7
739.29144	12.3
743.32306	8.5
753.30652	14.9
757.30676	8.3
771.32874	6.1
789.32953	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	805.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	27.8
57.06580	1.0
57.07066	1.9
65.03937	6.1
67.05504	80.9
69.03428	3.5
69.07069	15.2
70.74139	3.2
71.04993	4.8
75.50488	1.1
79.05492	47.9
81.03413	3.5
81.07057	51.0
83.04972	4.5
83.08625	6.8
85.02903	1.2
85.06554	14.3
90.89565	1.0
91.05482	39.7
93.07046	45.6
95.04969	65.7
95.08603	36.1
97.06538	7.7
97.10155	2.8
99.08114	1.9
103.05470	2.1
105.07027	28.7
107.04955	8.9
107.08598	26.9
109.06517	62.6
109.10154	12.9
111.08072	4.5
113.06007	26.0
115.05492	2.9
116.06239	1.6
116.66532	1.0
117.07020	16.3
119.08577	17.1
121.06498	6.3
121.10131	13.0
123.08093	4.2
123.11710	3.6
127.03907	1.2
128.06215	3.6
129.07047	9.4
130.07771	1.6
131.08571	21.4
133.06508	3.6
133.10135	10.6
135.08051	42.7
135.11679	10.4
137.06029	1.4
137.09644	1.8
141.07033	1.5
143.08592	8.5
144.72466	1.1
145.06514	2.6
145.10118	11.0
147.08069	5.8
147.11699	5.5
149.09613	4.4
149.13252	4.3
155.08563	2.8
157.10158	6.0
159.08066	2.5
159.11667	8.1
161.09628	7.9
161.13228	1.9
163.11166	3.9
169.10202	1.5
171.11694	3.1
173.13286	3.1
173.24884	1.1
175.11201	2.8
177.12737	3.1
183.11728	1.8
185.13205	1.5
185.86479	1.2
187.11223	2.0
195.11809	2.1
195.13748	2.5
199.11171	1.8
199.14807	2.8
211.13156	1.5
217.15848	10.8
217.36252	1.1
219.13788	1.5
233.15495	1.6
245.18967	2.6
255.17418	2.4
261.22198	2.2
273.18478	38.3
273.44797	1.2
275.20065	2.6
279.15866	1.8
291.19543	100.0
309.20703	2.2
315.85416	1.3
333.24344	1.5
335.25797	89.5
336.26083	1.6
347.22128	9.7
365.23230	15.3
567.40057	3.7
607.43610	12.6
625.44580	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.5
62.99206	1.9
65.03945	2.2
65.86536	1.9
67.05507	40.6
69.07069	20.6
73.13506	2.3
74.86326	1.9
79.05495	28.5
81.03407	2.2
81.07056	39.7
81.33202	1.9
83.04990	3.0
83.08623	6.8
91.05485	33.3
93.06551	3.0
93.07051	29.5
95.01329	5.8
95.04945	6.3
95.08606	27.6
97.06525	12.0
105.07037	39.3
107.04956	8.3
107.08616	12.0
109.06490	2.7
109.10136	9.2
117.07004	7.1
119.08591	25.3
121.10169	10.0
131.08595	12.8
133.10124	22.8
135.08049	2.8
135.11678	7.2
145.10086	8.7
147.11662	8.1
149.09630	2.5
149.13286	3.5
157.10062	2.4
159.11682	4.2
161.13237	5.4
169.10107	2.4
173.13260	2.9
179.14313	5.9
219.17400	3.4
275.20059	32.0
335.25803	63.9
349.23727	14.2
355.67761	2.2
551.00909	2.2
609.45178	100.0
610.45276	4.5
806.50458	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	19.3
57.07072	1.9
65.03938	5.6
67.05506	66.1
69.03424	2.7
69.07071	10.5
70.13095	6.2
71.04980	3.1
79.05017	1.6
79.05493	36.9
81.03411	2.9
81.07058	40.0
81.07531	2.3
82.58591	1.2
83.04973	5.4
83.08614	4.9
85.02917	1.4
85.06542	10.3
89.28474	1.0
91.05481	31.2
93.07043	34.9
94.96969	1.1
95.04968	53.3
95.08613	26.1
97.02901	1.2
97.06517	6.3
97.10170	2.1
99.04491	1.1
99.08075	2.0
105.07036	22.1
107.04961	10.0
107.08595	22.8
109.06519	58.7
109.10151	8.5
111.08073	1.9
113.06000	25.9
115.05453	3.1
117.07012	14.0
119.08582	15.6
121.06494	5.3
121.10135	10.5
123.08062	4.4
123.11718	2.6
128.06239	1.6
129.07022	6.7
130.07640	1.3
131.08569	17.5
133.06500	3.4
133.10141	11.6
135.08060	45.2
135.11668	10.2
137.09665	2.3
141.07005	2.2
142.07732	1.3
143.08588	9.8
145.10136	9.6
147.08066	6.2
147.11697	5.0
149.09656	5.7
149.13274	4.4
151.11185	1.1
155.08519	1.3
157.10152	8.3
159.08058	2.4
159.11716	8.2
161.09639	7.6
161.13293	2.2
163.11183	3.5
169.10220	1.8
171.11710	4.3
173.09581	1.5
173.13268	4.0
175.11168	2.5
175.14810	1.1
177.12712	3.2
181.10109	1.3
183.11655	2.0
185.13268	1.7
187.11185	1.7
187.14793	2.1
195.11824	2.2
195.13841	2.0
197.13324	1.8
199.14859	3.3
201.12694	1.9
213.12639	1.4
217.15817	10.5
233.15367	1.5
237.16400	1.6
245.18913	1.6
255.17514	2.7
273.15417	2.0
273.18494	35.5
275.20114	4.5
279.15805	1.6
291.19550	100.0
292.20026	2.7
309.20523	2.3
329.20728	1.3
335.25806	37.8
336.26114	2.1
347.22162	9.8
349.23672	2.3
365.23260	13.3
567.40411	2.0
592.25134	1.3
607.43591	11.6
625.44604	53.9
626.44904	2.2
642.66016	1.2
684.44153	1.4
706.54926	1.2
739.77338	1.3
813.25714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	22.6
57.07066	2.0
58.19429	1.0
65.03931	4.0
67.05504	84.0
69.03419	3.0
69.07066	13.5
69.80595	0.9
70.84023	0.9
70.90013	0.8
71.04985	2.8
71.60221	0.8
71.60716	1.1
79.05492	49.3
80.05795	1.0
81.03414	3.3
81.07054	51.9
83.04984	3.9
83.08613	8.0
85.02912	1.0
85.06535	13.2
91.05479	39.1
93.07040	44.3
95.04967	63.6
95.08603	35.2
95.09060	0.8
97.06530	7.0
97.10177	2.6
99.04479	1.5
103.05449	1.2
103.09834	1.0
105.07032	24.8
107.04964	9.9
107.08590	27.1
109.06516	62.5
109.10157	12.0
111.08082	2.9
113.06001	31.6
115.05428	1.7
117.07002	12.2
117.07751	1.5
119.04907	1.0
119.08580	18.2
121.06537	6.9
121.10136	17.1
123.04453	1.0
123.08073	4.9
123.11715	2.9
125.09680	1.2
128.06200	2.8
129.07022	8.2
130.07759	1.1
131.08563	23.0
133.06500	3.1
133.10133	12.5
135.08055	44.8
135.11694	10.0
137.05978	1.5
137.09615	2.2
138.76842	1.0
139.11177	1.1
141.07002	1.8
143.08586	7.6
145.10121	14.6
147.08025	6.2
147.11693	5.0
149.09647	5.2
149.13249	4.4
155.08502	1.4
157.10110	7.0
159.08069	2.8
159.11696	7.1
161.09595	7.1
161.13254	4.1
163.11183	3.5
169.10133	3.2
171.11638	3.3
173.09552	0.9
173.13264	3.4
175.11206	1.9
175.14821	1.5
177.12827	4.4
179.14249	1.2
183.11798	2.1
185.09604	1.2
185.13248	1.6
187.11215	1.7
187.14703	1.2
189.12759	1.2
195.11717	1.3
195.13824	1.4
199.11295	1.2
199.14798	2.6
200.44945	1.0
201.12846	1.5
217.15903	11.5
227.17947	1.6
233.15335	2.2
237.16499	1.2
241.19557	1.1
245.18985	2.6
255.10060	1.0
255.17464	2.4
259.20529	1.2
261.22156	2.8
263.14478	1.0
267.69150	0.9
273.18484	34.2
275.20114	2.8
279.15845	1.2
291.19537	100.0
292.19803	1.2
294.40747	1.1
309.20551	3.4
335.25787	86.7
336.26062	2.8
347.22214	9.5
349.23721	1.8
351.25461	1.2
365.23245	14.0
567.40253	2.4
571.36047	1.1
607.43597	13.6
625.44629	61.6
626.44873	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	804.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.5
59.05020	1.1
61.28561	1.0
65.03938	1.2
67.05504	31.8
69.03434	9.8
69.07069	25.5
69.49364	2.1
69.49764	7.2
71.04988	3.6
79.05492	32.1
81.03419	66.4
81.07058	29.8
83.04987	7.0
83.08614	18.9
85.02897	1.2
85.06537	1.4
91.05481	30.1
93.07043	24.1
95.04971	24.0
95.08614	13.4
97.02895	10.1
97.06533	4.2
97.10162	15.0
103.05458	1.7
105.07029	20.1
107.04949	10.9
107.08598	14.8
109.06533	6.6
109.10155	10.6
111.04455	2.1
111.08086	7.1
115.05444	2.2
116.06183	1.0
117.07014	8.0
119.04969	2.2
119.08584	17.4
121.06512	6.5
121.10139	9.2
123.04430	1.9
123.08051	4.0
123.11690	1.9
125.09629	12.7
129.07001	10.4
131.08578	13.9
133.06483	5.3
133.10120	10.7
134.07262	1.8
135.08044	6.4
135.11713	2.9
137.09631	3.0
141.06973	1.2
142.07846	1.3
143.08574	3.9
145.06531	1.7
145.10133	8.1
147.08031	6.9
147.11696	8.0
149.09621	5.3
151.11163	3.6
153.09177	1.1
157.10144	8.4
159.11740	4.1
161.09627	3.2
163.11214	3.9
165.09122	1.5
165.12782	1.2
171.11726	2.2
173.09688	1.2
175.11179	7.5
177.12746	1.4
179.10788	1.3
180.11482	1.1
183.11639	1.2
185.09485	1.7
189.11212	4.6
193.12231	15.3
205.12267	2.4
211.13254	1.5
219.13812	3.7
223.13274	16.8
227.12810	6.4
227.18034	1.4
249.14877	5.1
253.14351	5.6
261.19128	1.1
263.20319	1.5
267.15918	75.3
273.18491	11.7
283.15598	1.5
291.19537	74.4
292.20038	1.5
313.21539	2.4
347.22195	2.1
365.23251	43.1
445.25436	6.0
447.29193	1.2
459.27307	6.0
477.28543	3.9
483.31125	1.9
539.33722	6.3
557.34735	100.0
558.35120	2.9
610.77338	1.2
770.26807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
59.04981	0.5
61.02686	0.4
61.02926	4.1
65.03936	0.7
67.05505	16.6
69.03434	1.9
69.07069	7.3
69.94392	1.1
69.94826	1.2
71.04994	2.4
73.02906	1.4
73.06573	0.4
77.13828	0.4
79.05492	12.9
81.03426	4.2
81.06581	0.9
81.07054	15.6
82.07393	0.6
83.04986	2.2
83.08619	3.7
83.40182	0.4
85.02901	5.3
85.06537	1.4
87.04461	0.5
91.03965	2.3
91.04894	0.9
91.05476	16.5
93.06476	0.9
93.07041	13.3
95.04973	4.4
95.08606	9.3
96.08891	0.4
97.02886	3.6
97.06528	3.4
97.10155	1.6
99.04452	0.4
99.08100	1.0
99.77628	0.4
103.05456	0.8
103.53513	0.4
105.07027	18.4
107.04961	2.5
107.08585	7.6
109.02879	0.7
109.06525	2.6
109.10159	5.7
111.08076	1.3
115.05457	1.2
117.07012	7.5
117.71324	0.4
119.08575	12.4
120.08887	0.6
121.06522	2.0
121.10150	5.1
123.08057	1.3
123.11703	1.6
125.09630	1.4
127.03908	1.3
128.06206	1.1
129.07005	6.0
131.08559	12.7
131.09534	0.9
132.08916	0.7
133.06497	1.0
133.10127	8.3
135.08058	2.1
135.11679	2.6
137.09647	1.3
141.06998	2.0
143.08559	6.2
145.05005	1.0
145.06461	0.8
145.10107	7.8
145.11142	0.6
147.08072	1.6
147.11656	3.0
149.09593	2.2
149.13255	0.9
151.11168	0.9
155.08568	2.7
157.06525	0.6
157.10121	4.4
159.08035	1.1
159.11697	4.1
161.09619	1.0
161.13217	0.9
163.06044	0.9
163.11212	1.4
167.08545	0.8
169.10112	3.4
171.11684	3.5
173.09680	1.1
173.13206	1.9
175.11299	0.6
175.14816	0.4
181.10124	2.0
183.11691	1.9
185.09569	0.6
185.13239	2.0
187.11188	1.0
187.14859	1.0
189.11194	0.9
189.12744	0.7
191.10916	0.4
193.12299	0.7
195.11716	1.4
197.13312	2.4
199.11218	0.7
199.14975	0.9
201.12790	0.7
201.16283	0.7
209.13306	1.1
211.14912	1.2
215.14349	0.9
217.15910	0.5
221.13416	0.7
223.14906	0.9
225.16374	0.7
227.12614	0.6
229.14360	1.1
233.15366	1.1
237.16325	0.6
245.15410	0.5
247.16930	0.9
253.14160	0.7
255.17581	0.5
257.18826	0.6
259.16953	0.8
261.18573	0.8
267.15735	1.8
271.16840	0.5
273.18677	0.7
275.20023	2.5
276.20438	0.9
291.19458	2.2
292.19113	0.6
325.25226	0.8
335.23865	1.2
343.26288	1.6
347.22375	0.6
349.23553	1.1
350.23987	0.7
353.24667	3.8
365.22916	1.0
371.25705	3.7
389.26840	4.4
427.28494	0.7
445.29489	100.0
446.29785	2.1
447.45117	0.4
463.30554	21.3
464.30798	0.4
543.36591	0.4
557.34473	1.6
589.33667	0.5
607.34998	0.9
624.43622	0.6
642.44226	0.8
768.47308	0.5
804.48987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.3
57.03434	2.8
57.07054	0.6
60.44389	0.4
61.02641	0.4
61.02926	4.7
65.03930	1.0
66.90697	0.3
67.05506	17.1
69.03433	2.1
69.06724	0.4
69.07069	5.8
69.95008	1.7
71.05000	2.3
73.02902	1.4
73.06580	0.4
79.05492	13.7
81.03411	3.0
81.07056	16.2
82.07352	0.3
83.04983	2.1
83.08617	3.6
85.02901	5.3
85.06538	1.2
91.03959	3.4
91.05481	17.2
92.05811	0.5
93.07045	13.8
94.07369	0.4
95.04967	3.7
95.08607	10.0
97.02899	3.0
97.06533	2.4
97.10162	2.3
98.21482	0.4
99.04463	0.7
99.08111	0.7
103.05462	0.7
105.04540	0.4
105.07028	17.9
106.07346	0.5
107.04948	2.5
107.08591	8.3
108.08902	0.5
109.02874	0.4
109.06512	2.7
109.10147	5.4
111.04362	0.4
111.08096	1.4
115.05460	0.9
117.07027	8.7
119.04887	0.5
119.08578	12.3
121.06499	1.7
121.10145	5.6
122.10413	0.4
123.04457	0.6
123.08081	1.2
123.11691	1.0
125.09619	1.5
127.03922	1.2
128.06223	1.1
129.05522	0.4
129.07007	6.3
130.07771	0.3
131.07570	0.7
131.08565	13.9
132.08936	0.6
133.06474	1.0
133.10130	8.2
135.08055	1.9
135.11679	2.6
137.09593	1.6
137.13297	0.4
141.06966	2.1
142.07777	0.7
143.08563	5.9
145.05003	0.7
145.06448	1.0
145.10115	8.1
147.08098	1.9
147.11684	2.9
148.69438	0.3
149.09644	2.5
149.13261	0.7
151.11159	0.8
153.06978	0.4
155.08565	3.3
157.10138	4.4
159.08083	1.1
159.11679	4.2
161.09627	1.7
161.13269	1.5
163.06038	0.8
163.11201	1.1
167.08557	1.1
169.10141	3.4
171.08125	0.5
171.10333	0.5
171.11665	3.0
173.09628	0.7
173.11871	0.6
173.13234	2.7
175.11179	0.7
175.14818	0.7
179.08604	0.6
181.10143	2.1
183.11659	1.6
185.09599	0.5
185.13245	1.8
187.11163	0.8
187.14777	1.6
189.12805	0.4
189.16339	0.5
191.14320	0.3
193.10239	0.6
193.12102	0.3
195.11763	1.3
197.13208	2.1
199.11278	0.4
199.14867	1.3
201.12752	0.6
201.16376	0.5
203.14378	0.4
205.15877	0.4
207.11679	0.4
207.13751	0.6
209.13272	1.1
211.14844	1.3
213.09013	0.3
213.12848	0.8
213.16377	0.8
215.14427	0.7
215.17882	0.4
217.15849	0.5
223.14836	1.0
225.09317	0.4
225.16423	0.8
227.14476	0.7
229.14209	0.5
229.16147	0.6
233.15381	0.8
235.14624	0.4
237.16396	0.4
239.17995	0.4
241.15941	0.7
245.15532	0.4
247.16943	0.8
247.20589	0.4
253.14371	0.9
255.17435	0.4
257.19052	0.9
259.16949	0.7
261.18488	1.0
267.15836	1.6
273.18527	0.9
275.20013	2.3
276.20316	0.9
283.15546	0.4
287.19833	0.7
291.19547	1.6
292.19116	0.5
299.14954	0.4
317.15735	0.5
325.25098	0.7
335.23682	0.8
338.20111	0.3
343.26343	2.0
349.23706	1.1
350.24219	0.9
353.24780	3.8
365.23199	1.2
371.25793	4.5
389.26819	5.1
427.28479	0.7
445.29501	100.0
446.29807	2.6
463.30539	19.7
464.31061	0.4
541.35333	0.4
557.34955	1.6
589.33563	0.4
607.34967	0.6
804.49207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	25.6
57.07077	4.3
59.04992	2.6
59.24652	2.2
60.70987	2.1
61.02929	9.2
65.03931	6.0
66.96592	2.1
67.05505	87.9
69.03426	9.5
69.07072	22.6
69.26728	27.8
71.04977	6.8
79.05491	63.0
81.03426	20.3
81.07055	84.2
82.38754	2.3
83.04977	7.8
83.08624	16.4
85.02906	8.5
85.06554	14.3
89.42778	2.3
91.03988	2.8
91.05483	74.0
93.07047	61.9
95.04971	65.6
95.08604	47.2
95.09169	3.6
97.02900	9.9
97.06519	11.7
97.10166	5.7
98.20773	4.6
99.04507	2.2
103.05416	3.2
105.07031	73.4
107.04950	20.1
107.08596	33.8
109.02904	4.4
109.06517	57.9
109.10150	18.5
111.04424	3.0
111.08090	3.1
113.06011	36.3
115.05503	5.6
116.06232	2.6
117.07014	37.1
119.08586	42.1
121.06530	8.4
121.10174	20.6
123.04461	5.4
123.08076	13.1
123.11652	3.4
125.09615	3.2
128.06244	7.1
129.06995	21.0
130.07788	4.3
131.08566	47.1
133.06456	5.5
133.10141	29.1
135.08051	34.7
135.11690	19.8
137.09604	2.8
139.11201	2.5
141.07011	9.5
142.07742	3.8
143.08572	24.7
145.06502	8.9
145.10130	35.5
147.08026	7.2
147.11688	17.7
149.09644	7.4
149.13281	6.2
151.11211	2.3
153.09149	2.4
154.07880	3.0
154.21973	2.5
155.08582	5.7
157.10120	15.5
159.08037	4.3
159.11717	25.0
161.09602	6.8
161.13249	13.7
163.11264	4.5
165.12810	3.4
166.10689	2.5
167.08569	2.9
169.10138	11.8
171.11703	15.9
173.04437	2.6
173.09628	4.3
173.11934	2.7
173.13275	11.2
175.11203	4.6
175.14781	5.6
177.12720	5.4
181.10138	5.5
183.11711	7.1
185.13255	10.2
187.11208	4.8
187.14813	4.9
189.12814	2.6
197.13263	3.1
199.14850	8.3
201.12810	4.3
201.16396	5.4
205.12314	2.8
209.13272	4.2
213.16393	3.1
215.14362	2.7
215.17957	2.6
217.15909	10.4
221.13228	3.5
227.17932	4.1
231.21249	3.3
233.15399	3.1
237.16405	4.4
241.19510	12.0
257.19064	5.1
259.20618	16.5
273.18539	24.7
273.21481	2.8
275.20041	10.9
279.15952	27.0
291.19547	60.3
315.23172	4.7
327.26971	3.3
333.24268	29.3
347.22244	8.2
349.23666	4.8
365.23209	12.2
378.52127	2.5
393.28351	2.6
429.12686	2.4
467.31519	3.1
513.36230	5.5
531.38263	7.4
543.36810	6.1
605.42096	14.1
623.43042	100.0
624.42950	2.9
641.44220	40.5
785.48242	3.5
803.51245	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	803.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	41.3
61.02930	15.7
65.03938	6.4
67.05502	98.2
67.68124	2.9
69.03433	26.4
69.07063	31.9
71.01311	3.5
71.04986	19.0
73.02914	6.0
79.05053	6.0
79.05492	84.7
81.03419	27.3
81.07059	100.0
83.04977	13.4
83.08621	20.3
85.02909	21.5
85.06541	13.9
91.03960	7.7
91.05476	89.2
93.07043	80.8
95.04964	28.9
95.08607	68.6
97.02891	22.9
97.06535	32.6
97.10171	9.9
99.04467	4.7
99.08086	12.1
101.02374	3.0
103.05470	5.0
105.07027	72.2
107.04969	17.5
107.08594	45.0
109.02892	5.3
109.06516	50.3
109.10154	26.2
110.34973	2.8
111.04404	4.2
111.08069	10.2
113.05997	12.3
115.05518	6.1
117.07022	34.6
119.08578	55.4
121.06503	7.9
121.10149	29.0
123.08079	11.4
123.11713	6.9
125.09649	10.0
127.03953	9.3
127.07549	4.8
128.06238	8.9
129.05484	4.0
129.06996	30.4
131.08578	50.2
133.06487	5.9
133.10121	42.0
135.08046	27.2
135.11732	17.5
137.09592	8.5
139.11182	5.4
141.06976	11.1
142.07770	8.7
143.08569	33.0
145.06499	6.3
145.10138	43.4
147.08060	11.5
147.11682	20.9
149.09651	11.1
149.13268	8.5
151.44173	3.3
155.08556	22.8
157.10127	29.9
159.08026	10.1
159.11681	26.7
161.09627	12.6
161.13264	9.6
163.11192	13.4
165.06940	3.0
165.12746	3.8
166.07664	4.2
167.08585	9.6
168.09337	4.3
169.10162	26.4
171.11633	19.6
173.09627	4.3
173.13300	13.5
175.11156	6.2
175.14795	4.2
177.12798	5.2
179.08565	7.5
181.10078	15.5
183.11696	19.4
185.09660	6.1
185.13219	19.2
187.11188	6.0
187.14853	7.1
189.11258	3.8
191.08641	4.2
193.10150	7.2
195.11725	12.4
197.13254	12.9
199.11214	5.0
199.14806	6.7
201.12724	4.9
201.16193	3.7
203.14305	7.4
203.18092	3.1
207.11731	8.1
209.13301	11.7
211.14825	9.1
213.12718	3.7
213.16524	5.4
217.15874	6.0
219.11703	3.8
219.17590	3.9
221.13277	9.7
223.14821	8.6
225.12906	4.4
225.16470	4.3
231.11464	3.6
235.14908	6.8
237.16429	6.3
239.17998	4.4
249.16426	3.6
257.19028	9.1
259.20587	10.6
273.18481	24.3
275.20087	27.3
277.21976	3.8
279.16034	4.2
283.20511	3.5
291.19501	6.4
292.19638	3.6
331.22693	3.6
333.24237	8.7
347.22141	10.2
349.23871	22.6
349.60892	3.9
351.25516	6.3
355.22464	3.7
365.23416	3.6
367.73624	3.0
459.31870	4.8
511.33865	4.7
513.36566	3.7
527.37518	6.7
531.38281	6.9
537.35541	8.0
539.37225	3.4
549.38922	4.4
551.37030	8.8
553.38483	5.0
555.36621	8.1
567.39111	3.8
569.38574	6.8
605.41779	11.8
623.43060	63.0
629.75165	3.3
641.44135	36.6
749.46405	5.5
767.48309	4.4
785.48309	8.7
803.48755	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	18.1
57.07064	5.8
59.04990	3.8
59.34937	4.0
61.02928	6.8
63.03097	4.1
64.18685	3.7
65.03934	8.8
65.41453	3.5
67.05501	99.2
67.06042	4.3
69.03419	25.9
69.07075	41.7
71.04975	10.5
73.02906	9.4
79.05489	87.6
81.03409	32.9
81.07056	85.0
83.04973	12.5
83.08624	34.6
85.02905	19.5
91.03978	6.7
91.05488	75.8
93.07039	62.9
95.04957	32.6
95.08598	54.4
95.09162	6.3
97.02892	9.5
97.06525	18.5
97.10163	36.9
98.20711	8.7
101.02362	5.4
103.05483	5.0
105.06379	6.6
105.07025	67.8
107.04948	14.0
107.08581	47.9
109.06512	13.8
109.10155	31.8
111.04447	8.0
111.08051	7.3
115.05437	5.5
117.07005	34.6
119.08585	65.0
121.06496	9.1
121.10126	29.3
123.08057	12.7
123.11722	9.0
124.63643	4.4
125.09617	29.1
127.03928	9.4
129.07002	26.4
131.08568	46.4
133.06491	5.7
133.10133	45.2
135.08095	11.7
135.11693	18.9
137.09624	6.9
139.04913	4.2
141.06998	11.4
142.07803	8.1
143.08565	22.9
145.06479	6.6
145.10129	42.8
147.08055	11.1
147.11662	35.7
149.09601	14.3
149.13289	6.6
151.07446	5.2
151.47534	4.2
153.09120	4.6
155.08571	15.6
157.10150	29.4
159.08049	9.6
159.11697	31.6
161.09621	7.6
161.13266	17.3
163.11139	6.2
163.14806	5.6
167.08563	6.1
169.10130	17.7
171.11720	24.6
173.04510	5.1
173.09529	4.8
173.13251	21.8
175.11258	4.2
175.14790	10.1
177.12802	5.7
179.08667	5.4
181.10143	10.1
183.11684	16.9
185.13312	13.7
187.14877	10.7
189.11188	18.0
189.12726	5.2
193.10364	4.3
193.12219	9.6
195.11774	13.4
197.13309	7.8
209.13298	9.9
213.16405	5.2
219.11823	5.5
223.13171	6.8
227.12772	17.5
229.43207	4.7
235.14673	5.6
237.16382	6.9
241.19547	11.5
257.19031	10.2
259.20621	18.9
267.15887	9.3
273.18433	8.5
275.20096	28.3
285.22183	6.4
291.19519	38.7
301.21713	7.8
329.21201	4.2
333.24216	14.4
335.25827	14.2
363.26501	6.0
365.23318	18.2
379.30032	7.5
511.34232	4.6
513.36371	6.3
525.35767	9.9
529.35553	13.3
531.37805	5.5
543.36584	24.0
561.06946	4.7
605.41962	14.9
623.43036	100.0
641.43976	37.2
749.46057	5.5
767.46533	6.1
785.47809	11.4
803.51550	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	803.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	16.1
57.07055	3.9
61.02914	9.0
64.22019	2.7
65.03934	5.9
67.05505	98.6
69.03427	21.1
69.07069	37.7
69.56260	18.7
71.04984	9.4
73.02916	4.4
79.05494	86.4
81.03418	45.3
81.07056	100.0
83.04985	20.4
83.08609	24.0
85.02902	17.8
85.06544	5.7
87.04433	2.6
87.22655	2.2
91.05482	91.4
93.06473	4.9
93.07045	76.4
95.04975	26.7
95.08053	3.9
95.08614	50.8
97.02888	15.1
97.06532	29.8
97.10165	13.2
99.04465	5.9
99.08104	5.3
105.07037	72.7
107.04947	29.3
107.08590	56.9
109.02885	8.0
109.06525	20.1
109.10153	38.2
111.04431	3.0
111.08070	6.7
113.06001	2.7
113.09589	2.9
115.05443	6.6
117.07027	29.0
119.04932	2.6
119.08582	52.2
121.06480	9.4
121.10133	27.9
123.08066	10.2
123.11686	8.4
125.09621	13.3
127.03929	13.4
128.06236	3.6
129.05450	2.3
129.07033	17.1
130.07750	3.7
131.04932	3.9
131.08568	39.5
133.06490	6.3
133.10121	46.4
135.08017	14.9
135.11699	15.5
137.09605	7.9
141.06958	5.6
143.08554	15.9
145.04953	3.1
145.06451	6.0
145.10121	39.4
147.08008	5.7
147.11690	28.5
149.09613	27.3
149.13235	10.6
151.11159	5.7
153.08984	3.8
155.08559	10.8
156.09445	4.2
157.10114	14.0
159.08041	4.2
159.11674	28.4
161.09639	6.8
161.13364	11.6
163.11189	13.4
165.12711	5.1
167.08588	2.8
169.10144	12.8
171.08069	3.5
171.11732	14.9
173.04430	12.2
173.09637	5.3
173.11859	2.8
173.13246	12.4
175.11157	5.7
175.14819	2.5
177.12746	8.8
179.14224	2.8
181.10127	4.6
181.12440	3.1
183.08012	2.7
183.11682	11.5
184.12326	2.5
185.09584	3.3
185.13287	9.5
187.11198	5.5
187.14799	2.8
189.11200	9.6
189.12737	3.9
193.10109	3.5
195.11708	4.2
197.13191	5.7
199.11143	3.2
199.14754	5.2
201.12762	3.4
209.13423	2.7
211.14789	3.7
217.15854	3.3
223.14868	3.2
227.12756	11.3
227.17807	3.5
229.14291	8.1
229.19478	3.9
233.15405	4.4
237.16307	2.6
239.14268	3.0
239.17960	6.6
247.20563	6.0
257.18906	15.3
259.20514	3.5
263.78305	2.5
269.17523	8.3
273.18463	5.5
275.20093	83.3
291.19476	4.8
293.21072	8.5
303.15909	3.0
331.22787	4.6
341.21030	3.4
347.22055	2.8
349.23758	52.0
367.24948	3.2
413.22125	3.0
419.24454	3.5
445.29526	3.1
455.32214	3.1
493.28125	2.8
525.35889	3.3
529.34833	7.6
543.36951	25.3
549.38898	4.5
565.38220	3.8
605.41681	6.7
623.43115	34.1
629.63770	3.1
641.44263	27.9
705.41766	3.0
731.43384	3.2
785.48151	5.4
803.48315	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	803.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	15.0
57.07070	3.0
59.04980	2.8
61.02921	5.7
63.15495	2.1
65.00988	2.5
65.03931	7.0
67.05505	80.1
69.03428	28.7
69.06721	3.1
69.07071	34.9
69.84944	4.7
69.85355	9.5
71.04990	7.7
73.02920	3.6
79.05495	72.7
81.03422	43.1
81.07061	100.0
83.04993	18.9
83.08614	21.1
85.02902	11.4
85.06546	5.1
91.03986	3.5
91.05482	71.2
93.07047	65.0
95.04961	25.2
95.08613	44.5
95.09177	4.4
97.02908	20.9
97.06540	26.5
97.10185	12.4
97.73694	2.2
99.04464	8.7
99.08105	4.6
103.05509	3.9
105.07030	72.2
107.04961	25.3
107.08601	54.8
108.08917	2.8
109.02875	12.0
109.06524	14.1
109.10162	28.1
111.04479	5.9
111.08081	6.4
113.02375	2.2
114.93636	2.9
115.05440	3.4
117.07039	27.5
119.08585	47.2
121.06525	12.5
121.10145	26.6
123.08097	11.3
123.11703	10.2
125.09636	12.0
127.03917	7.9
128.06227	4.2
129.05515	5.4
129.07028	11.8
130.07765	2.4
131.08575	36.3
133.06436	5.2
133.10141	37.0
135.08028	13.6
135.11687	15.2
137.09613	8.8
141.07037	7.2
142.07744	2.9
143.08556	14.8
145.06522	5.4
145.10127	30.6
147.08080	5.8
147.11714	25.1
149.09612	22.2
149.13283	10.7
151.11165	7.9
153.06993	2.8
155.08575	7.5
157.10181	11.9
159.08052	3.8
159.11708	25.7
161.09612	5.6
161.13268	9.0
163.11188	10.5
167.08575	4.6
169.10144	10.7
171.11723	10.7
173.04514	15.1
173.09709	5.1
173.11824	4.5
173.13287	10.8
175.11205	6.6
175.14828	2.7
177.12746	5.3
181.10040	2.8
183.11714	10.1
185.13225	6.9
187.11182	3.8
187.14857	3.3
189.11311	6.1
193.10150	2.7
195.11732	4.5
195.13774	3.9
197.09538	2.5
197.13293	6.7
199.11411	2.7
199.14815	4.4
201.12621	2.4
211.14781	2.8
225.12775	2.5
227.12704	12.0
229.14400	4.3
229.19478	5.1
239.17952	3.7
247.20665	5.9
257.18970	14.2
269.17419	3.6
273.18579	5.3
275.20081	74.2
293.21112	7.4
315.23123	2.8
331.22833	4.0
349.23734	46.9
367.24915	3.9
410.33875	2.5
413.21808	3.8
419.23953	2.6
525.35822	4.2
527.37268	4.1
529.34668	2.7
531.37665	2.4
543.36902	26.7
561.37341	3.1
595.43774	2.9
605.42084	4.2
623.43164	33.3
641.43890	19.9
687.40448	6.0
705.41620	5.3
785.47583	7.1
803.48157	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
61.02916	0.2
65.03938	0.2
65.41021	0.2
67.05482	0.4
69.03415	1.0
70.06579	0.3
71.04998	7.5
71.60763	0.3
72.05311	0.3
75.04455	0.3
79.05469	0.4
81.03391	0.5
81.07030	0.3
83.04977	0.4
85.02908	9.1
85.03429	0.5
86.03210	0.4
86.06125	0.2
87.04436	0.4
89.03907	0.3
91.05491	1.5
92.05775	0.3
93.07015	0.6
94.04194	0.2
94.83840	0.2
95.04946	0.5
95.08589	0.3
97.02872	0.4
97.06465	0.2
99.04411	0.2
99.22464	0.2
103.03971	0.2
103.05480	1.5
105.03324	0.2
105.07005	0.6
107.04932	0.5
107.08560	0.3
109.02849	0.5
111.04420	0.4
117.03386	0.4
117.06984	0.2
118.04182	1.1
119.04958	1.4
120.05105	0.2
121.02853	0.2
121.06536	0.9
123.04424	0.5
127.03884	0.6
129.05487	1.8
129.68529	0.2
130.04134	0.6
130.05789	0.3
131.04933	2.3
132.05711	1.1
133.02832	0.4
133.06474	0.6
135.04358	0.4
137.06010	0.5
138.06538	0.2
140.04707	1.2
143.05661	1.3
145.02806	0.3
145.10037	0.2
146.03639	1.8
147.04431	1.6
147.06535	0.3
148.05080	0.7
149.06020	0.8
151.03923	0.3
153.01839	3.0
153.05496	0.5
154.06189	0.3
155.07022	0.3
159.04414	0.4
160.05255	0.9
160.71466	0.2
161.02357	0.2
161.05972	1.4
162.03102	0.5
163.03877	0.7
163.07547	0.3
165.05399	0.3
166.06253	0.6
167.07045	2.4
171.02933	0.3
173.05988	0.5
175.03935	2.6
176.04584	1.9
177.05498	2.9
178.06255	2.4
178.97902	0.2
179.06972	0.3
180.07791	0.2
181.08569	0.3
182.09418	0.3
191.05403	0.3
191.07051	3.5
192.04131	0.2
192.07817	2.2
193.04901	0.2
193.23779	0.2
201.05553	0.2
203.03383	1.7
207.06544	5.9
208.06923	2.2
209.07089	0.7
210.08815	0.5
213.05489	0.4
229.04977	2.5
241.04996	0.4
242.05739	5.6
243.06342	0.3
253.04988	1.4
255.06508	0.2
257.04462	41.4
258.05240	8.3
259.05914	0.3
269.04398	0.8
270.05255	1.7
271.05957	1.5
283.06052	0.5
285.03961	6.1
286.04730	21.1
287.05505	17.8
288.05826	1.0
289.06070	0.4
295.05893	0.2
297.03986	3.0
299.05585	1.5
300.06354	0.8
301.07101	0.4
303.05060	0.8
311.05380	0.4
323.05554	0.4
323.14182	0.2
327.05066	1.6
329.06744	0.2
341.06528	2.6
343.09622	0.2
345.06750	0.2
351.10837	0.3
352.10849	0.2
359.09216	0.2
360.10126	0.2
369.11774	0.8
370.12244	0.6
371.12292	0.4
371.43292	0.2
373.07135	0.4
387.08704	0.4
388.08926	0.2
391.08264	0.3
402.07263	0.3
403.08273	0.3
413.06982	0.2
417.10205	0.2
417.15598	0.2
419.07730	0.8
421.09097	0.3
444.08270	0.4
445.09335	0.8
447.07263	0.7
449.08670	0.2
461.08728	0.4
462.09464	1.3
465.11887	3.9
477.11847	19.2
478.12137	0.6
495.12897	100.0
496.13202	2.3
517.19098	0.2
641.18451	0.2
657.18176	21.1
658.18787	0.8
763.63666	0.2
803.25146	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	801.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	17.3
57.07074	4.5
59.05000	3.1
61.02924	7.1
65.03947	8.5
65.79748	3.1
67.05508	99.9
69.03429	36.6
69.07069	54.0
71.04989	11.1
71.61122	3.2
73.02936	4.8
76.92801	2.7
77.12361	2.8
79.05492	100.0
81.03416	51.1
81.07056	95.1
83.04965	22.7
83.05366	2.5
83.08623	21.2
85.02902	22.1
85.06525	3.8
91.03941	3.3
91.05483	79.0
93.07043	75.1
95.04967	37.3
95.08611	52.0
97.02913	24.5
97.06533	24.9
97.10168	27.9
99.04436	8.4
102.51580	3.8
103.05452	3.5
105.04559	4.0
105.07037	75.5
107.04966	26.6
107.08596	60.2
109.02884	13.4
109.06529	17.3
109.10161	34.3
111.04427	8.0
111.08096	8.7
115.05410	4.8
117.07020	35.8
119.08582	59.6
120.05774	3.6
121.06491	17.1
121.10158	26.6
121.75835	3.3
123.08067	14.8
123.11742	5.6
125.09623	25.9
127.03894	9.8
128.06201	4.6
129.07034	23.3
131.08578	48.8
132.08098	8.6
133.06505	9.7
133.10118	38.3
135.08087	16.9
135.11668	16.5
137.09631	8.5
141.07001	6.8
142.07794	5.1
143.08560	21.3
145.06512	9.3
145.10118	36.2
146.09659	7.4
147.08015	17.2
147.11681	23.7
149.09642	23.5
149.13249	4.3
151.11209	5.7
153.09149	3.6
155.08582	9.4
156.09357	3.9
157.10153	19.8
159.08017	7.1
159.11691	28.6
160.11237	9.0
161.09618	8.3
161.11618	6.0
161.13275	8.9
163.11198	12.8
163.14897	3.4
165.09239	3.9
169.10188	9.0
171.08052	4.6
171.11693	15.4
173.04543	14.6
173.05878	3.3
173.09641	7.2
173.11801	5.9
173.13257	11.8
174.12735	3.5
175.11206	12.2
177.12808	4.8
181.10100	4.4
183.11763	12.6
185.09534	4.1
185.13190	4.5
187.11203	9.4
189.11186	18.1
195.11700	6.7
197.13293	6.6
199.11235	4.8
199.14812	5.3
201.12701	7.7
205.12354	4.7
223.13324	11.8
227.12784	22.6
227.17853	5.7
229.19557	3.1
231.17596	3.5
239.17976	8.2
241.10745	3.8
245.13699	3.8
245.19090	5.8
247.20764	5.0
257.18906	15.0
273.18500	45.2
275.20065	84.2
287.04855	3.0
291.19550	86.8
293.21140	4.9
299.20178	4.0
304.22723	35.7
305.23141	24.0
309.20712	4.0
331.22641	6.0
347.22165	13.4
349.23718	26.1
365.23361	21.9
435.23929	3.6
519.32440	4.4
611.42194	4.4
621.41656	19.7
639.42639	55.3
703.40472	6.0
783.46564	10.6
800.52802	5.0
801.50745	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	14.7
61.02922	4.6
63.87258	3.2
65.03921	5.7
67.05508	89.2
69.03433	18.2
69.07066	38.5
71.04974	10.0
73.02925	4.3
79.05074	5.7
79.05495	79.0
81.03421	33.1
81.07057	84.0
83.04982	16.8
83.08625	18.6
85.02893	13.2
85.06505	5.3
89.17252	3.5
91.03947	3.5
91.05483	100.0
93.07050	74.9
95.04977	29.8
95.08604	41.1
97.02881	16.3
97.06502	20.1
97.10164	17.9
99.04449	6.7
103.05432	5.6
105.07034	79.2
107.04965	21.7
107.08589	48.1
109.02848	6.1
109.06518	21.7
109.10172	22.1
111.04408	4.3
111.08085	12.2
115.05480	11.4
116.06221	4.6
117.07014	45.7
118.04980	4.3
119.08576	55.5
121.06538	13.4
121.10122	18.0
123.08097	9.8
123.11724	6.3
125.05933	4.2
125.09652	11.0
127.03922	8.1
128.06198	19.6
129.07039	31.3
130.07785	10.9
131.08566	71.2
132.08873	4.0
133.06543	17.5
133.10126	37.8
135.08043	15.8
135.11676	12.4
137.09592	6.8
139.11195	4.1
141.06990	13.1
142.07755	8.1
143.08563	67.2
145.06494	10.2
145.10120	66.2
147.08011	15.5
147.11754	17.2
149.09639	20.8
149.13245	9.3
151.11166	3.9
154.07703	3.6
154.41525	3.6
155.08586	6.8
157.10162	23.4
159.08051	11.2
159.11681	29.0
161.09639	15.3
161.13300	6.9
163.11160	13.5
165.07059	5.5
167.08516	7.6
169.10153	13.8
171.08018	7.0
171.10416	3.5
171.11671	18.2
173.04504	7.4
173.09647	6.6
173.13220	7.6
175.11197	7.8
177.12714	6.7
181.10092	10.1
183.11674	13.0
185.09621	5.1
185.13298	9.3
189.11201	8.6
189.12804	4.1
195.11691	20.2
197.13429	4.4
199.11151	5.3
201.12747	4.5
207.11655	6.2
209.13261	5.4
211.14842	5.8
213.12723	4.9
217.15924	5.6
223.14793	4.4
227.12782	10.0
227.17963	8.3
229.14339	7.1
237.16411	14.3
245.19087	8.2
255.17528	20.0
257.18985	6.5
273.18488	68.5
275.20065	45.5
291.19620	24.2
329.21127	4.5
347.22156	43.2
349.23785	36.6
393.09766	3.2
446.47202	3.3
474.82608	3.4
541.35242	6.7
549.37286	3.6
621.41547	49.0
639.42773	29.1
783.47205	5.8
801.47571	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	801.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.2
59.04990	0.2
61.02920	0.3
61.80812	0.3
65.03939	0.6
67.05505	0.6
68.99825	0.2
69.03429	6.6
69.07069	0.3
69.55077	1.6
70.06577	0.3
71.04991	37.6
73.02914	0.8
74.06071	0.2
75.04475	1.4
79.05479	0.5
81.03416	0.9
81.07047	0.8
83.04983	1.2
85.02903	44.2
86.06057	0.3
87.04464	1.3
89.03906	0.3
91.05476	8.9
92.05795	0.2
93.07038	0.6
95.04983	0.6
95.08585	0.6
97.02918	1.0
98.20765	0.5
99.04453	0.7
103.03957	0.4
103.05486	0.4
105.07050	1.0
106.72726	0.2
107.08566	0.5
109.02889	0.9
109.10136	0.4
111.04442	1.4
111.51254	0.2
114.63625	0.2
117.03378	0.6
119.04938	17.7
119.08559	0.6
121.02892	0.3
121.06573	0.3
121.10086	0.3
123.04435	0.3
127.03918	3.3
129.03450	0.5
129.05475	12.9
131.04903	0.4
132.02008	0.3
133.02867	0.3
133.10153	0.4
135.04427	0.5
136.05217	0.3
137.02354	0.4
137.05968	1.3
143.05650	2.0
145.02831	0.8
145.06517	0.3
145.10167	0.2
147.04405	16.5
147.06367	2.7
148.04919	0.2
149.09572	0.3
151.03894	0.3
151.07523	0.3
153.01842	0.9
157.03970	1.4
161.05998	0.6
161.09637	0.3
164.04721	0.5
167.07039	1.5
171.02922	0.2
174.03189	0.2
175.03903	34.3
176.04312	0.3
177.05495	1.3
179.03426	0.3
179.06998	1.3
181.04913	0.2
192.04111	1.1
193.04846	0.3
207.06520	100.0
208.06813	1.1
209.08083	0.4
219.06462	0.4
225.07558	4.3
227.07057	0.3
235.05981	0.3
261.07639	0.4
263.09137	0.4
271.05713	0.6
287.05493	26.6
288.05890	0.3
291.08496	0.9
301.06973	0.4
313.07037	0.5
315.08401	0.3
317.10025	0.4
350.03378	0.2
351.10727	9.7
353.12320	0.6
369.11795	22.1
370.12033	0.3
515.17773	2.6
750.00928	0.2
801.27545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
61.02936	1.6
67.05505	2.6
69.03432	1.3
69.07074	1.1
70.06581	0.6
71.04990	0.5
71.60661	0.8
73.02956	1.1
74.72201	0.5
75.45137	0.5
79.05499	1.8
79.18141	0.5
81.03434	1.9
81.07066	3.0
83.74718	0.6
85.02919	2.1
91.03909	0.8
91.05470	2.9
93.07066	2.0
95.04990	1.0
95.08628	1.2
97.02895	2.1
97.06547	0.9
105.07054	2.3
107.08602	1.2
109.02903	1.1
109.10162	0.6
111.04505	0.7
119.04988	1.1
119.08607	1.4
121.06583	0.6
121.10136	0.9
127.03938	1.6
129.51987	0.6
135.11668	0.7
137.06082	0.7
139.03815	0.6
143.05684	1.1
144.08145	0.7
145.02928	1.1
145.10120	1.5
147.04416	1.2
147.11726	0.8
155.08611	0.7
163.03955	0.7
167.07100	2.3
169.10013	0.7
173.09673	1.1
175.03886	0.7
175.11121	0.7
177.05505	1.8
184.05095	1.6
185.04254	2.0
185.05841	0.8
189.05229	14.1
189.06767	1.0
190.06085	0.7
201.05263	1.7
202.06050	2.1
203.06898	2.0
207.06621	2.1
215.06833	5.2
215.10742	0.7
216.07581	16.6
217.08377	3.6
217.39691	0.6
219.06303	1.8
229.08382	3.8
232.07051	6.4
233.07841	5.4
234.08653	0.8
245.07834	0.6
287.05576	1.5
324.75595	0.6
355.24640	0.6
365.12067	7.0
379.13623	21.5
379.18274	1.1
395.13110	3.2
413.15802	4.0
413.20547	0.7
425.15683	0.9
426.16791	1.1
427.17404	10.0
439.17438	2.5
443.16718	4.4
474.28586	2.7
475.28809	3.5
575.21259	2.3
589.22510	7.4
605.22461	2.0
637.26117	7.8
776.82410	0.6
798.49628	0.7
799.31494	100.0
800.31879	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40725	0.3
57.03432	1.7
61.02928	4.5
67.05501	5.7
69.03424	2.7
69.07062	1.9
69.27933	2.8
69.28349	0.8
70.06581	0.6
71.01356	0.4
71.04994	4.0
73.02914	3.6
79.05489	3.1
81.03413	1.7
81.07052	6.7
83.04975	0.8
83.08624	1.0
85.02901	3.8
85.06567	0.3
91.03967	2.5
91.05480	4.0
93.07024	3.4
95.04971	0.8
95.08614	2.2
97.02895	4.0
97.06535	1.1
97.10147	0.6
99.04423	0.6
101.02370	2.0
105.07025	2.6
107.08582	2.0
109.02869	0.6
109.10165	1.3
111.04448	0.3
111.08086	0.4
115.03990	0.3
117.07005	0.8
119.08565	1.1
121.10162	0.9
123.08104	0.4
123.11733	1.2
125.09688	0.3
127.03925	1.7
131.08586	1.1
133.10106	1.9
135.11713	1.0
145.10159	0.6
147.11703	0.7
149.13307	0.8
151.11203	1.0
156.30423	0.3
159.11736	1.1
183.13913	0.6
185.04308	0.5
187.13272	0.5
203.05278	0.5
232.03119	0.3
243.08366	3.0
243.15906	0.4
257.17636	0.9
267.15771	1.0
301.09158	0.5
315.19363	0.3
323.18280	0.5
333.20273	1.9
389.23380	0.4
413.17679	0.4
439.19308	0.7
441.21094	0.6
453.21051	1.3
454.58923	0.3
469.20538	0.4
485.23666	8.6
551.28296	4.5
557.25842	0.4
608.47052	0.4
625.31989	0.5
683.35760	0.4
697.37750	0.7
795.44989	100.0
796.45459	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	797.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
61.02922	5.9
63.05997	0.4
67.05504	6.8
69.03426	4.3
69.07068	1.6
71.01344	0.8
71.04999	1.2
71.59923	0.8
73.02913	6.0
79.05483	4.8
81.03416	2.3
81.07056	5.8
81.15569	0.4
83.04974	0.6
83.08621	1.0
85.02899	6.9
87.04470	0.5
91.03954	4.5
91.05483	3.3
93.07043	5.0
95.04971	0.8
95.08611	5.0
97.02897	6.2
97.06518	0.4
99.04474	1.6
101.02383	2.5
101.47188	0.4
103.03958	0.5
105.07040	1.7
107.08585	3.1
109.02887	0.7
109.10143	2.2
115.03978	0.6
117.07040	0.8
119.08582	1.1
121.10139	2.1
123.11754	0.7
127.03944	1.6
131.08635	0.7
133.10127	0.9
135.11713	1.3
145.04997	0.5
145.10130	0.9
159.11668	0.6
185.04178	1.0
203.05261	0.5
243.08464	2.0
277.18164	0.5
335.25717	0.7
439.38156	0.6
519.29291	15.8
520.29681	0.7
567.93378	0.5
622.28131	0.5
646.64844	0.5
797.51691	100.0
798.51758	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	795.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58508	0.5
56.96579	0.5
57.03439	2.4
59.05029	0.4
60.20109	0.4
61.02927	6.5
67.05505	6.5
69.03434	3.6
69.07072	2.4
69.99753	1.0
70.00145	0.8
70.06595	0.6
71.04990	3.6
73.02913	4.4
73.06578	0.4
79.05497	4.8
81.03402	3.4
81.07056	6.2
83.04989	1.1
83.08631	1.2
84.39295	0.4
85.02905	6.2
85.03363	0.4
85.06555	0.6
87.04459	1.0
91.03953	4.1
91.05475	5.1
91.05927	0.5
93.07041	5.1
95.04948	1.9
95.08604	3.1
97.02888	5.6
97.06541	1.1
97.10172	0.4
99.04475	1.4
101.02414	1.4
104.30524	0.4
105.07041	3.6
107.08588	3.1
109.02879	1.0
109.06526	0.6
109.10197	1.4
111.08064	0.6
113.65313	0.4
117.07035	1.5
119.08592	2.6
121.06518	0.6
121.10113	2.5
123.08044	0.6
123.11724	0.8
127.03941	1.5
129.05519	0.7
129.07047	0.7
131.08603	1.9
133.10117	2.8
135.11726	1.1
145.05043	0.4
145.10167	1.1
147.11713	2.2
149.09665	1.0
149.13304	0.8
151.11214	0.7
157.10179	0.9
159.11717	0.8
175.11174	0.6
175.56039	0.4
183.06635	0.5
185.04272	1.0
193.12227	0.5
203.05298	0.8
210.96211	0.4
225.14793	0.5
243.08391	4.1
257.17511	0.6
267.15915	1.4
283.15234	3.3
284.49612	0.4
301.09113	1.5
333.20486	1.6
339.18011	0.7
381.19052	0.5
417.04312	0.4
423.08365	0.4
453.21289	0.6
465.21115	2.1
469.20581	0.9
485.23749	6.2
501.22919	6.4
501.29214	0.5
535.28735	4.6
551.27655	2.7
573.25696	1.1
709.35883	0.5
721.38031	2.1
749.40765	0.5
795.45056	100.0
796.45526	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	795.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.26557	1.4
66.52072	1.0
67.05474	1.5
71.60648	1.8
74.15607	1.3
81.07077	1.4
87.04471	2.0
93.07036	1.4
105.08356	1.3
112.42091	1.1
118.71268	1.2
126.77574	1.2
143.56570	1.4
250.16428	1.3
264.33597	1.1
274.39444	1.1
285.10126	1.5
485.17065	2.8
492.77930	1.4
512.59058	1.5
514.92242	1.3
517.20557	1.6
535.26270	2.2
795.42780	100.0
796.43060	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	795.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	4.5
69.03421	3.4
69.07053	2.0
69.47791	8.7
70.06621	1.1
81.03419	4.0
85.02898	3.6
91.05489	2.4
92.88345	1.0
93.07038	2.5
94.06579	6.6
94.66315	1.1
95.04948	2.0
97.02888	2.0
98.21513	2.3
105.07024	1.6
106.06531	1.8
108.08112	3.7
109.02868	3.2
120.04398	1.3
120.08120	1.9
122.06038	18.6
127.03930	2.7
134.06015	2.7
136.07573	8.2
137.05956	1.9
140.07077	2.9
143.05643	3.6
145.02872	1.8
146.05968	3.7
147.04359	1.8
148.07579	7.4
152.07054	1.6
156.88338	1.3
157.63054	1.1
164.07091	3.3
166.08649	3.2
167.07062	3.4
174.05534	2.0
174.09254	1.4
175.03922	1.5
177.05460	2.6
182.09657	1.2
190.05122	2.0
206.08134	2.1
207.06392	2.2
208.09943	2.4
209.10742	1.8
211.08661	1.4
211.12331	2.6
220.09889	1.4
221.10805	2.5
222.11589	3.3
223.08623	8.4
223.12312	4.7
224.13062	2.6
225.10201	20.2
225.13809	2.3
226.10986	4.3
227.08157	1.3
227.11758	4.5
233.10527	1.2
235.08545	5.7
235.12242	2.7
236.09450	5.5
237.10225	11.3
237.13770	6.9
238.10942	10.6
239.11749	18.9
240.12564	6.0
241.09668	1.6
241.13347	2.9
247.12354	2.0
248.09167	5.3
248.12993	2.1
249.10231	12.3
250.11038	17.7
251.07980	3.0
251.11792	59.4
252.12556	10.7
253.09741	3.4
253.13353	15.5
254.14011	2.2
262.10825	2.0
263.11832	31.7
264.08887	2.1
264.12613	6.7
265.09756	8.8
265.13364	65.0
266.10742	5.9
266.14099	7.2
267.11398	5.8
267.14999	5.5
269.12775	1.7
275.11740	2.1
277.09671	6.3
277.13080	2.7
278.10364	10.4
279.11298	31.6
279.14377	2.1
280.12082	5.2
281.12860	9.4
283.10764	8.7
283.14185	2.3
285.12289	2.9
289.13138	1.3
291.11276	7.7
292.12000	3.0
293.09579	1.2
293.12845	31.4
293.16153	2.0
294.13544	3.5
295.10800	4.7
295.14355	8.9
296.11591	4.2
297.12323	9.6
298.13052	4.7
299.13928	7.4
305.12860	2.0
307.10672	1.2
309.12350	16.5
310.13040	3.5
311.13916	43.1
312.14532	1.9
313.15579	6.6
319.10883	5.7
319.14127	1.7
321.12323	13.0
323.13828	2.9
325.11487	1.7
325.15079	3.3
328.14124	1.2
333.12335	1.3
337.11765	4.2
338.12616	2.6
339.13342	10.7
341.14880	1.8
342.16022	1.8
344.13898	2.8
351.13400	11.7
352.14154	1.4
353.10953	2.2
353.14966	24.4
355.16660	1.6
357.14935	2.3
360.17059	1.5
369.14517	10.8
370.15167	2.6
371.16049	28.3
372.16992	3.9
373.17465	1.4
381.14435	4.5
383.15994	4.0
386.18347	1.7
395.16061	1.7
399.15674	2.4
400.16382	1.8
405.14200	1.5
411.15564	13.2
412.16180	1.7
413.17090	18.4
414.18021	5.4
416.19437	5.3
432.19180	2.6
435.15543	2.7
437.16953	5.8
439.14746	1.8
440.15836	2.0
441.16327	4.2
442.17337	6.7
443.18002	3.9
444.19153	1.3
447.15250	2.5
453.16367	3.8
455.18188	10.7
459.17618	2.4
460.18652	5.1
462.19946	1.5
463.14941	2.6
465.16702	5.7
471.17648	13.2
473.19263	23.8
474.20416	16.0
479.18460	2.7
480.21130	4.9
481.15738	5.3
483.17542	8.2
492.21274	9.2
494.22864	2.1
495.17435	1.9
497.19339	8.9
499.16901	4.5
501.18707	7.4
502.19623	3.2
513.18842	14.8
514.19232	2.8
515.20251	29.5
516.20178	1.6
531.19794	21.4
532.20178	1.6
533.21326	43.5
534.22430	20.6
540.21210	1.8
542.22723	3.1
558.22784	2.4
562.21600	2.0
568.20856	6.6
576.23151	3.8
586.21875	20.2
587.22467	1.8
588.23376	3.0
594.24286	2.4
600.23425	18.6
601.24567	7.2
602.25000	1.4
604.22833	14.8
606.24426	2.9
618.24493	35.9
619.25409	8.1
620.25659	4.6
622.23901	10.6
624.25208	3.7
636.25519	100.0
637.25775	3.3
638.27142	1.5
654.26581	54.2
655.27008	5.2
675.29974	2.3
691.27148	1.8
709.28436	6.1
723.30194	8.5
741.31213	9.7
745.29980	2.2
759.32074	3.6
777.32965	6.3
795.30267	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	795.345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03392	1.2
65.03951	1.5
67.05512	6.7
69.03447	2.7
69.07068	2.1
71.27634	1.7
71.27975	2.1
78.76530	1.3
81.03451	3.2
85.02903	3.2
85.10734	1.3
87.29900	1.2
94.06586	6.0
95.05002	2.2
103.05482	2.1
108.08120	3.9
109.02890	2.8
120.08120	2.8
122.06033	20.6
127.03927	3.0
134.06029	3.4
136.07582	8.5
140.07112	2.2
143.05637	3.1
146.06026	2.7
147.04446	2.3
148.07620	6.7
164.07069	5.0
166.08653	4.1
167.07063	3.3
174.05554	2.8
177.05499	3.4
181.04974	1.3
191.07100	1.9
204.06549	1.9
207.06569	3.8
208.09703	2.0
211.08731	1.5
211.12279	2.7
213.10339	1.8
221.10783	1.5
222.11552	2.9
223.08646	8.2
223.12192	6.1
224.09296	2.1
225.10251	20.8
225.13713	2.8
226.11165	2.5
227.11784	3.7
235.08673	6.1
235.12198	2.9
236.09302	6.3
237.10266	13.9
237.13832	7.3
238.10980	11.6
239.11783	17.9
239.15483	1.9
240.12523	5.3
241.13420	3.2
247.12524	1.8
248.09552	4.6
248.13249	2.0
249.10263	18.1
249.13927	2.4
250.10995	21.4
251.08107	7.6
251.11804	57.9
252.12584	11.1
253.09837	3.9
253.13367	13.3
254.14250	2.1
255.11316	1.4
261.10291	2.0
262.11154	2.2
263.11813	34.6
264.09451	2.7
264.12582	8.8
265.09836	11.0
265.13400	67.5
266.10593	5.0
266.14154	5.7
267.11362	5.3
267.14847	6.6
268.12057	2.5
269.13019	2.2
275.11801	2.9
277.09796	3.8
277.13351	5.5
278.10471	9.7
279.11288	30.0
280.12057	7.4
281.12860	8.7
283.10709	8.6
285.12369	2.2
291.11194	8.2
292.12006	2.8
293.12869	30.1
294.13718	3.7
295.10818	4.4
295.14444	6.2
296.11465	6.1
297.12393	9.5
298.13098	4.4
299.13950	5.9
305.12772	2.0
307.10675	1.5
307.14352	1.6
309.12363	25.2
310.13022	5.7
311.13901	55.3
312.14517	1.4
313.15454	4.7
319.10776	3.1
321.12320	13.5
323.10361	1.6
323.13815	2.7
324.11237	1.5
325.11847	3.5
325.15494	3.1
337.11719	10.2
338.12601	5.6
339.13516	16.2
344.13904	2.5
351.13562	11.0
352.14081	1.6
353.15057	22.5
353.19009	2.2
357.14493	2.8
358.15677	2.0
360.17099	1.4
369.14490	29.8
370.15158	3.1
371.16052	44.2
372.16882	2.8
375.13016	1.5
379.12784	1.8
381.14590	3.7
383.16080	4.0
385.18048	1.6
386.18759	3.0
387.15668	1.4
400.16266	2.5
411.15479	11.7
413.17081	16.3
414.18378	6.9
416.19745	8.8
432.19400	9.5
435.15939	1.6
437.17041	3.6
440.16455	1.3
440.81216	1.4
441.16580	4.7
442.17654	4.9
443.18271	2.5
453.16531	5.1
455.17938	8.7
459.18079	2.0
460.18735	26.3
462.20026	3.6
465.16821	3.1
471.17596	9.4
472.18759	2.3
473.19318	20.3
474.20337	11.9
478.19684	1.7
480.21347	10.4
481.16122	5.1
483.17380	7.9
492.21368	51.0
494.22745	3.1
495.17719	2.5
497.19083	5.4
499.16943	3.0
501.18741	7.6
513.18610	13.1
515.20270	26.9
516.20630	2.0
531.19769	15.1
532.20300	1.7
533.21344	38.6
534.22223	21.5
542.22742	3.6
558.22467	3.0
560.24109	1.6
568.20862	6.0
583.25098	2.0
586.21881	19.7
588.23303	3.7
594.24298	3.6
600.23505	15.6
601.26239	20.5
604.22906	16.1
606.24133	2.5
618.14343	2.1
618.24493	39.1
619.25055	9.9
620.25946	3.4
622.24030	14.4
624.25647	2.4
633.28906	4.7
636.25555	100.0
637.26117	3.7
640.24976	3.6
654.26581	61.6
655.27277	2.9
675.30084	3.4
709.28015	5.4
723.30573	7.2
727.29266	2.6
734.74152	1.6
741.31354	9.6
745.30469	4.7
759.32013	2.6
777.33002	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	795.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.1
65.03948	1.7
67.05505	6.3
69.03425	6.8
69.07061	2.9
70.06586	2.3
71.04989	1.4
71.61230	1.2
73.02921	2.6
79.05489	1.7
81.03421	7.3
81.07058	1.6
83.04982	1.3
84.08138	0.9
85.02903	6.4
87.06729	2.2
89.03915	1.4
91.05476	6.5
93.03497	1.0
93.07042	2.7
94.06554	2.9
95.04961	1.9
95.08627	2.2
97.02898	4.6
99.04453	2.0
105.07031	2.5
105.91203	0.9
107.04932	1.6
107.08566	1.5
108.08114	5.6
109.02879	4.5
109.10159	2.1
111.04467	1.5
117.03370	1.7
119.04954	3.4
119.08593	2.1
120.04445	1.4
120.08110	3.2
121.02829	1.0
121.10155	1.4
122.06047	8.0
123.04448	2.1
123.08067	1.1
124.07626	1.4
127.03931	6.0
131.08607	1.4
133.10153	1.1
134.05974	1.5
135.04437	1.1
136.07581	3.6
137.05988	3.2
138.09184	0.9
140.07079	3.9
143.05643	58.0
145.02829	9.1
146.06041	3.2
147.04410	3.7
148.07591	6.6
149.05949	1.5
149.09592	1.4
150.09161	1.9
151.03943	1.2
151.11177	1.3
160.07573	1.5
162.58208	0.9
163.03905	0.9
163.06023	1.1
163.07372	1.1
164.07013	2.2
166.08658	3.8
167.05902	1.3
167.07045	7.1
172.03960	1.9
174.05536	1.9
174.09088	1.2
175.03912	4.6
176.07083	1.4
177.05466	15.4
181.05087	1.2
190.05035	3.3
191.10632	1.3
193.04904	1.5
204.06577	3.0
207.04834	1.1
207.06549	7.0
208.09750	1.4
209.10747	1.2
210.11479	1.6
210.45747	1.1
211.12262	1.1
213.10150	1.5
215.25685	1.0
221.10805	1.0
222.11510	3.2
222.14920	1.0
223.08667	2.2
223.12317	3.5
224.13101	2.3
225.10217	6.7
225.13832	3.6
226.11005	2.2
226.14545	1.3
227.11740	2.8
233.10374	1.1
235.08618	5.7
235.12224	1.9
236.09317	5.2
237.10216	8.4
237.13805	6.2
238.10986	10.3
239.11792	14.8
239.15506	2.0
240.12607	3.7
241.13293	2.7
247.12070	1.2
248.11069	1.7
248.13084	1.3
249.10179	9.9
249.13939	1.2
250.10925	16.5
251.08195	2.7
251.11786	51.0
252.12567	8.3
253.09723	2.0
253.13368	11.8
262.10941	1.4
263.08911	1.3
263.11774	14.2
264.08987	3.2
264.12616	3.2
265.09872	5.5
265.13354	64.1
266.10608	6.3
266.14087	4.0
267.11475	5.8
267.14865	5.7
268.12039	2.0
271.05954	3.5
271.14313	1.5
275.11807	3.4
276.10010	1.7
276.12585	1.4
277.09769	2.7
277.13391	2.6
278.10318	7.3
279.11240	24.4
279.14410	1.4
280.12082	3.4
281.12857	6.1
282.13608	1.4
283.10721	2.5
283.14465	1.8
284.11533	1.6
285.07617	1.0
285.12314	2.0
287.05554	1.7
290.10645	1.0
291.11380	4.8
292.12088	2.7
293.12830	32.5
294.13480	2.6
295.11008	2.1
295.14426	10.2
296.11652	2.0
297.12393	7.0
298.13116	3.1
299.13870	4.1
300.14682	1.2
303.04813	1.1
307.10809	2.0
307.14255	0.9
309.12375	6.1
310.13132	4.6
311.13901	35.1
312.14587	1.8
313.15457	4.9
317.06461	1.4
319.10690	2.9
321.12341	14.8
322.13043	1.4
325.15402	1.8
337.11807	4.1
338.12607	2.1
339.13437	12.6
341.14966	2.3
351.13342	3.3
353.14963	24.6
354.15808	1.5
355.12595	1.1
355.16574	1.9
357.14960	1.2
360.16965	1.2
369.14572	4.3
370.15216	1.9
371.16037	26.8
372.16748	1.9
373.09894	1.6
381.14511	8.4
383.16052	4.0
389.16861	1.1
395.16190	1.4
399.15701	1.9
409.17688	1.3
411.15375	4.1
413.17099	20.9
414.18140	2.4
419.16202	1.7
421.17780	3.4
423.15521	1.4
425.16949	1.3
427.18701	1.4
432.19186	1.7
436.22855	1.2
437.16895	6.1
439.18671	3.2
441.16562	9.8
442.17438	3.4
443.18210	3.5
453.16351	1.4
455.12164	1.7
455.18018	12.3
457.19534	2.8
459.17682	1.5
460.18765	1.4
462.19989	2.1
463.15134	1.9
465.16660	15.0
471.17584	3.3
473.19217	23.8
474.20151	2.8
479.18106	2.2
480.20630	1.3
481.15982	5.7
482.17130	2.0
483.17657	43.5
484.18146	2.5
492.21161	1.6
494.22888	8.4
495.17468	2.5
497.19202	29.9
499.17050	3.9
501.18643	21.9
513.18530	9.4
515.20276	100.0
516.20648	1.7
522.22351	1.3
531.19635	7.5
533.21295	97.1
534.22052	4.7
535.15112	1.9
536.29706	1.1
542.22894	1.4
560.23657	1.7
568.20447	1.9
569.14325	1.5
578.24957	1.2
583.25336	2.5
586.21606	4.0
587.22284	1.6
588.23547	3.1
600.23492	5.6
601.26434	1.7
604.22906	9.9
605.23413	1.2
606.24500	4.9
615.27576	2.9
618.24365	10.2
619.25000	3.5
620.25653	3.1
622.24255	6.6
623.24438	2.3
624.25446	6.7
636.25464	20.0
637.26202	2.2
638.26514	2.5
640.23932	1.4
654.26544	10.7
655.27100	5.9
656.27985	3.2
675.30432	1.6
709.28656	2.7
727.29272	3.4
741.30579	3.9
745.30927	5.0
759.32147	1.4
763.31696	1.3
777.32465	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.4
57.03441	0.4
60.80174	0.2
61.02915	0.5
61.03317	0.2
65.87095	0.2
67.05508	1.3
67.08828	0.3
69.03433	0.6
69.07056	0.5
71.04984	0.4
71.60558	0.2
71.60981	0.3
73.02880	0.3
75.91761	0.2
78.04694	0.9
79.05475	1.1
81.03406	0.7
81.07046	1.1
84.77930	0.2
85.02895	0.9
88.39996	0.2
91.05476	1.8
93.07038	1.1
95.04963	0.7
95.08591	0.6
97.02869	0.5
103.05449	0.5
105.07054	1.9
106.04176	0.4
107.04953	1.1
107.08614	0.7
109.02876	0.3
109.06502	0.3
109.10177	0.4
117.03354	0.6
117.06969	0.3
119.04955	0.7
119.08562	0.5
121.06513	0.8
121.10137	0.6
123.04417	2.7
124.05211	1.3
125.61565	0.3
127.03894	0.5
131.08513	0.4
133.06493	1.2
133.10152	0.4
136.06165	0.6
136.47612	0.3
137.05966	0.9
139.07565	0.2
143.05719	0.4
144.91833	0.2
145.02849	1.3
145.10118	0.3
146.75845	0.2
147.04410	0.6
147.11720	0.4
149.05974	1.2
149.09598	0.3
151.03894	0.8
152.04680	0.9
159.11728	0.2
161.05949	1.2
163.07463	0.5
163.11160	0.3
167.07037	100.0
168.07390	0.8
175.03944	0.7
175.11157	0.3
177.05469	2.0
178.05919	0.3
179.06976	0.4
181.08554	1.0
193.08611	6.4
195.10172	0.6
207.06522	1.2
211.09654	13.8
287.05527	0.4
332.78070	0.3
361.15167	0.3
385.16223	0.3
403.17517	0.5
586.28870	0.4
608.21686	0.3
697.33490	0.4
794.39441	1.3
796.48785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85175	0.2
56.96555	0.3
59.55928	0.2
65.03931	0.4
67.08807	0.2
67.35996	0.2
69.03429	4.1
69.03804	0.2
69.45188	0.3
69.45591	1.5
70.04060	0.2
71.04970	0.2
79.05489	0.3
80.18649	0.2
80.61721	0.2
81.03415	0.8
81.07074	0.2
83.04964	0.3
84.08164	0.3
85.02919	0.9
86.09718	0.3
87.06711	4.7
89.03913	1.1
91.05492	2.0
93.07031	0.3
95.04937	0.2
97.02882	0.7
97.18907	0.2
99.04494	0.2
103.05479	0.3
105.07047	0.3
109.02882	0.5
111.04440	0.2
113.04594	0.3
117.03386	3.0
119.04938	3.1
121.02879	2.0
123.04469	0.5
127.03932	2.0
129.07019	0.2
131.04901	0.3
135.04399	0.6
137.05972	0.4
141.04073	0.8
142.04872	0.6
143.05643	100.0
144.05984	0.7
145.02844	10.7
147.04427	3.6
149.05991	0.9
151.03934	1.5
161.05864	0.2
163.03966	0.2
167.07056	0.9
175.03908	5.6
175.07611	0.2
177.05473	24.5
178.05826	0.5
179.07042	0.3
181.04927	0.3
185.06575	0.2
186.05391	0.3
192.04256	0.2
195.06552	0.3
201.05421	0.3
207.06535	11.1
208.06812	0.4
215.07104	0.2
261.07587	0.3
283.08218	0.5
287.05435	0.5
295.07950	0.2
303.04996	0.8
321.09760	2.2
339.07123	0.3
339.10773	4.2
351.10699	1.4
369.11856	3.3
425.12918	0.2
455.14233	1.2
477.70761	0.2
587.18524	0.3
617.19574	0.5
704.51117	0.2
793.23535	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	793.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25318	0.4
56.96556	0.8
57.03433	2.0
61.02929	4.5
67.05506	7.0
69.03429	4.0
69.07068	3.8
71.01357	0.5
71.04993	3.5
71.60776	0.5
71.88015	0.5
73.02924	3.6
79.05492	4.7
80.03823	0.5
81.03411	2.6
81.07056	7.9
83.05018	0.9
83.08622	1.3
84.08152	0.7
85.02905	5.3
87.04475	0.6
87.67069	0.4
91.03981	2.3
91.05475	4.2
93.07043	4.3
95.04989	1.4
95.08621	1.9
97.02896	6.3
97.06535	0.6
97.10162	2.1
98.97543	0.6
99.04501	0.5
100.34071	0.4
101.02401	1.4
105.07030	2.4
107.05000	0.7
107.08577	2.1
108.08943	0.5
109.02888	0.6
109.10143	2.2
110.40705	0.4
116.98603	0.8
117.07049	1.0
119.08585	0.6
121.10145	1.0
123.08080	0.5
123.11712	1.1
125.09641	1.2
127.03924	1.5
131.00229	0.8
131.08580	0.8
133.10115	2.3
134.99710	0.7
135.11681	1.1
145.10147	0.5
149.01250	2.0
151.11215	0.8
155.26016	0.5
156.03630	0.6
159.11798	0.6
167.02287	0.6
177.00769	0.9
223.13356	1.3
224.32520	0.5
243.08362	3.3
246.40515	0.4
257.17526	0.7
267.15802	0.9
277.63974	1.0
278.14154	0.8
279.13748	0.6
291.19592	1.8
323.18433	0.6
331.18793	1.1
372.65982	0.5
387.21704	0.5
432.91473	0.5
453.21127	1.0
485.23636	9.1
534.29688	1.3
534.79944	2.1
535.29871	4.9
535.80060	4.2
536.29663	2.1
536.79681	1.0
549.26855	5.7
621.90198	0.6
623.30011	0.6
793.43420	100.0
794.43170	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.3
57.03196	0.9
57.03440	12.0
57.07061	2.6
57.32984	0.6
59.04989	0.6
60.77893	0.6
61.02926	3.2
65.03931	2.6
66.81686	0.6
67.05505	65.2
69.03421	1.0
69.06725	1.1
69.07072	16.3
71.04998	1.3
71.08616	0.9
71.56390	1.5
73.02892	0.7
79.05495	39.0
81.03388	0.6
81.07057	58.3
82.90468	0.6
83.04959	2.3
83.08621	7.7
85.02892	2.8
85.06512	1.5
89.04736	0.5
91.03944	1.4
91.04902	0.7
91.05476	24.7
93.07044	47.7
93.93195	0.6
95.04965	4.4
95.08606	51.5
96.07228	0.6
97.02890	2.0
97.06513	2.7
97.10165	3.9
99.08085	1.5
103.41376	0.7
105.07025	18.3
107.08595	23.7
109.06502	1.9
109.10154	21.6
111.08080	1.4
115.05461	0.8
117.07015	6.3
118.04938	0.6
119.07798	1.3
119.08585	15.5
120.12206	0.6
121.10141	20.9
123.08064	2.0
123.11711	7.2
125.09584	1.1
129.07010	1.9
131.08568	12.9
133.10130	13.8
135.11679	14.2
135.12692	0.7
137.13237	3.3
139.11172	0.8
143.08557	1.6
145.10130	9.1
147.11691	10.7
149.13258	8.5
151.11168	0.9
151.14871	1.2
157.10129	1.8
159.11697	8.8
161.13258	8.8
163.14813	4.7
165.12831	0.7
171.11662	1.9
173.13271	7.2
175.14819	3.9
177.12671	0.8
177.16432	1.2
183.11568	0.7
185.13260	2.0
187.14819	3.5
189.16328	1.3
199.14792	1.7
201.16362	1.6
216.98882	0.7
231.21112	1.2
241.19507	2.5
243.21077	5.2
259.20584	6.5
261.22134	19.1
263.23810	1.9
277.21729	0.6
279.23279	0.9
289.02719	0.6
299.23611	1.4
315.23279	0.7
317.24796	3.2
333.24283	6.5
335.25793	100.0
336.26379	0.8
337.27365	9.5
339.44400	0.8
355.29825	0.8
399.32727	0.9
503.42566	0.8
521.43469	2.3
595.38416	1.0
595.47229	13.7
613.48254	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	791.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
57.03421	0.2
60.05635	0.2
61.02905	0.1
65.03925	0.1
67.05485	0.4
68.99769	0.1
69.03419	1.0
69.07044	0.4
70.06580	0.1
70.92476	0.2
71.04975	0.5
73.02890	0.1
73.04048	0.1
73.06564	0.1
79.05499	0.9
81.03420	1.0
81.07056	2.2
83.02440	0.2
83.04983	0.1
84.04470	0.1
85.02505	0.1
85.02908	1.3
86.09704	0.2
87.00828	0.2
87.06714	3.1
88.71121	0.1
91.05475	0.8
93.07037	1.4
95.04939	0.2
95.08600	0.7
97.02893	0.7
99.04448	0.3
103.05459	0.2
105.01841	0.1
105.07031	1.2
107.08576	1.2
109.02880	1.3
109.06551	0.1
109.10155	0.6
113.04592	0.2
113.96816	0.1
117.03402	0.1
117.07007	0.1
119.04929	0.3
119.08575	1.5
121.06470	0.2
121.10122	0.4
123.04418	0.3
123.11694	0.2
125.04601	0.1
126.03000	0.3
127.03911	1.4
127.11153	0.2
131.04941	0.2
133.06482	0.1
133.10092	0.5
135.11673	1.0
137.05966	0.6
139.03949	0.1
141.01819	0.2
141.04056	1.0
143.05634	100.0
144.06099	0.5
145.02840	0.3
145.04977	0.3
147.04387	0.3
147.11661	0.4
149.05971	0.2
149.09560	0.1
151.03922	0.2
153.12737	0.4
155.05627	0.9
159.02925	0.1
161.05984	0.2
163.03853	0.1
167.05672	0.2
167.07028	1.4
168.07390	0.1
175.03857	0.4
175.07504	0.1
177.05420	0.7
181.04939	0.3
185.06638	0.6
203.07143	0.1
203.17921	0.3
207.06505	0.5
208.09621	0.1
209.06726	0.1
213.03871	0.2
221.18987	0.2
231.04984	0.3
233.06520	0.2
243.11449	0.1
271.05869	0.1
287.05527	1.7
288.05811	0.2
301.07349	0.1
305.07614	0.2
305.10913	2.1
312.34119	0.1
325.07037	0.1
325.10764	0.2
363.23849	0.7
373.09845	1.9
373.14319	0.1
381.25082	0.7
430.22144	0.1
433.12070	0.4
481.12012	0.1
499.12964	1.2
517.14105	1.6
535.15179	5.3
536.15704	0.2
551.14392	0.1
553.16229	16.4
554.16443	0.5
610.34607	0.1
617.49335	0.1
759.28156	0.2
773.35016	0.3
791.35834	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.4
55.05517	38.2
57.03434	20.4
58.71510	3.0
59.04982	4.3
61.02924	7.3
65.03940	6.3
67.05178	5.0
67.05508	76.9
69.03429	14.5
69.07074	36.3
70.06572	6.7
70.09477	16.0
71.01349	3.7
71.04992	14.7
73.02908	4.2
76.18574	2.7
79.05067	5.4
79.05495	69.2
81.03422	96.4
81.07058	83.2
83.04979	17.3
83.08630	29.5
85.02887	12.8
85.06530	3.4
86.09686	3.4
91.03957	4.9
91.05484	70.5
93.06468	5.6
93.07043	70.9
95.04974	42.8
95.08605	39.3
97.02892	8.8
97.06522	16.4
97.10173	19.1
105.07036	54.3
107.04956	15.5
107.08601	43.7
109.02852	3.6
109.06507	14.1
109.10166	19.3
111.04453	3.2
111.08089	12.3
115.87968	2.9
117.07018	19.0
119.04993	3.3
119.08600	38.1
121.06502	8.8
121.10146	24.5
123.04363	3.4
123.08068	6.9
123.11703	5.1
125.09657	14.7
127.03928	4.0
128.06229	3.9
129.07011	22.1
131.08569	29.4
133.06538	6.4
133.10138	29.1
135.08051	8.8
135.11693	13.6
137.09616	6.4
143.08559	11.8
145.02841	5.8
145.06509	4.5
145.10088	17.0
147.08072	4.4
147.11691	20.8
149.09607	17.7
149.13254	9.8
155.08598	4.7
157.10141	23.4
159.08025	4.8
159.11726	14.3
161.13290	6.0
163.11206	13.1
167.07068	5.4
167.08548	4.4
169.09972	4.2
171.11653	7.3
173.11821	4.2
173.13196	7.8
175.04021	3.1
175.11200	16.8
177.05476	6.4
181.10158	4.2
183.11746	5.3
184.07346	4.9
189.09219	3.4
189.11220	10.6
193.12251	28.3
195.11935	2.9
195.13742	3.7
197.13351	3.6
209.13426	3.0
211.13243	6.2
227.12778	20.6
233.15639	4.1
239.17691	3.6
240.66074	3.2
255.15895	11.8
257.10623	3.4
257.18991	8.5
267.15912	100.0
269.17496	28.3
275.20087	27.6
285.09949	4.9
285.16940	9.9
286.85056	3.0
299.20099	3.3
327.70129	3.1
330.96542	3.2
349.23703	23.4
367.24777	5.8
369.24167	4.9
421.26056	4.6
437.24997	5.4
443.27884	9.8
447.27463	29.0
449.20288	3.5
461.29031	94.5
465.28796	3.4
479.29916	13.1
523.34088	6.1
541.35345	53.2
559.36328	37.1
577.37140	6.8
598.50922	3.5
630.41107	3.4
683.32843	4.0
793.38873	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	791.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.1
55.05499	0.1
56.96562	0.1
57.03409	0.1
57.56895	0.1
60.05638	0.2
61.02927	0.1
65.03936	0.1
67.05508	0.3
68.99781	0.2
69.03438	0.9
69.07069	0.1
71.04983	0.2
73.02915	0.1
73.04032	0.2
79.05496	0.3
81.03417	1.0
81.07057	0.9
83.02450	0.1
85.02905	1.1
86.03530	0.1
87.00838	0.2
87.06716	3.6
91.05479	0.5
93.07032	0.7
95.04997	0.1
95.08608	0.4
96.34381	0.1
97.02899	0.8
97.83797	0.1
98.03531	0.1
99.04459	0.3
101.03495	0.2
105.01865	0.1
105.07034	0.6
105.35571	0.1
107.04909	0.1
107.08597	0.8
109.02876	1.4
109.06573	0.1
109.10162	0.4
111.04411	0.2
111.06647	0.2
113.04630	0.4
115.06244	0.1
116.04504	0.1
119.08585	0.7
121.02859	0.1
121.06574	0.1
121.10132	0.2
123.04409	0.1
123.11707	0.2
125.02326	0.1
125.03473	0.1
125.04588	0.2
126.03028	0.2
127.03065	0.1
127.03933	1.2
129.01860	0.1
131.04915	0.1
133.10141	0.3
135.11650	0.4
137.05962	0.2
141.01851	0.1
141.04073	1.2
142.04857	0.3
143.05640	100.0
144.06094	0.6
145.02902	0.1
145.04962	0.2
147.04437	0.1
147.11650	0.3
151.03963	0.1
153.12732	0.1
155.05659	0.3
161.05988	0.1
161.13251	0.1
167.05641	0.4
167.07051	0.6
174.65421	0.1
175.03917	0.1
177.05428	0.2
181.05020	0.1
181.07211	0.1
185.06703	1.0
191.05563	0.1
191.07054	0.1
193.08684	0.1
203.06960	0.1
203.17851	0.3
207.06544	0.2
209.06689	0.3
213.03857	0.3
221.18990	0.1
229.35025	0.1
231.05048	0.2
233.06656	0.2
238.14801	0.1
243.11230	0.1
251.07927	0.2
269.08826	0.1
285.12415	0.2
287.05481	0.1
303.05130	0.1
305.10913	2.1
305.14484	0.1
316.36960	0.1
337.07672	0.1
339.07184	0.1
345.22925	0.2
357.08273	0.2
363.23843	0.2
373.09921	1.7
391.10889	0.1
428.48972	0.1
433.11978	0.7
446.03207	0.1
451.23270	0.2
463.11002	0.1
481.12067	0.2
499.13098	2.5
500.13031	0.1
517.14105	2.6
518.14618	0.1
535.15216	8.5
536.14978	0.1
553.16235	1.9
638.24341	0.1
700.26917	0.1
705.27069	0.1
737.32617	0.1
755.33392	1.2
773.34564	3.4
774.34149	0.1
791.35797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.1
55.05503	0.2
57.03427	0.1
60.05632	0.2
61.02907	0.2
61.49876	0.1
65.03928	0.1
67.05496	0.4
68.99783	0.2
69.03078	0.1
69.03429	0.9
69.07063	0.2
71.02482	0.1
71.04980	0.2
72.53917	0.1
73.02901	0.2
73.04030	0.1
78.04676	0.1
79.05509	0.5
81.02973	0.1
81.03417	1.3
81.07058	1.1
83.02460	0.1
83.04937	0.1
85.02910	1.0
87.00835	0.3
87.06713	3.8
91.05480	0.5
93.07050	0.7
94.04065	0.1
95.04959	0.2
95.08618	0.5
97.02899	0.9
97.06534	0.1
98.03489	0.1
98.20683	0.1
99.04420	0.3
101.03500	0.1
103.05435	0.1
105.01865	0.1
105.07035	0.7
107.04933	0.1
107.08595	0.7
109.02878	1.3
109.06474	0.1
109.10157	0.4
111.04430	0.1
111.06673	0.2
113.04600	0.3
114.03046	0.1
119.04932	0.1
119.08558	0.6
121.02785	0.1
121.10165	0.1
123.04422	0.1
123.11759	0.1
125.02330	0.1
125.04585	0.2
126.03003	0.2
127.03921	1.4
129.01859	0.1
131.04932	0.1
131.08542	0.1
133.09203	0.1
133.10042	0.3
135.04399	0.1
135.11671	0.6
137.05994	0.3
141.01833	0.2
141.04065	1.1
142.04860	0.4
143.05637	100.0
144.04309	0.1
144.06094	0.6
145.02895	0.1
145.04959	0.2
147.04459	0.2
147.11671	0.3
149.05946	0.1
149.13200	0.1
151.03935	0.1
151.07587	0.1
153.12726	0.1
155.05641	0.4
161.05917	0.1
161.13196	0.1
167.05637	0.4
167.07048	0.8
168.07368	0.1
171.03035	0.1
175.03957	0.1
177.05406	0.3
179.06999	0.2
185.06694	1.0
195.02756	0.1
203.07037	0.1
203.17958	0.4
205.07100	0.1
207.06514	0.2
209.06761	0.2
213.03969	0.2
221.19043	0.2
231.05083	0.2
233.06764	0.2
243.11240	0.2
251.07762	0.2
256.09012	0.1
269.08899	0.1
273.31201	0.1
285.12286	0.1
287.05505	0.2
295.43616	0.1
303.05157	0.2
305.10919	2.1
321.06122	0.1
339.07135	0.1
339.10956	0.1
345.22794	0.2
355.08868	0.1
357.08240	0.2
363.23929	0.2
373.09909	1.9
375.09482	0.1
391.10739	0.1
433.11917	0.6
447.17673	0.1
451.23209	0.2
463.11121	0.2
481.11969	0.2
493.13773	0.1
499.13052	2.5
517.14117	2.7
535.15179	8.3
536.15662	0.1
553.16260	1.4
564.36755	0.1
705.27484	0.1
737.32251	0.1
755.33423	1.0
773.34393	3.3
774.34552	0.1
791.35834	0.6
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
55.01872	6.4
55.05511	19.4
56.96575	0.9
57.03440	8.0
57.07075	2.1
59.04989	1.8
61.02918	3.5
65.03936	2.8
67.05504	74.5
68.05846	1.0
68.82817	0.9
69.03425	4.8
69.07068	23.8
69.91511	3.0
69.91924	1.4
71.01381	1.0
71.04990	32.7
73.02921	1.9
79.05490	41.4
81.03418	12.4
81.07056	100.0
82.07400	1.7
83.04986	8.5
83.08614	15.6
85.02900	5.6
85.06538	8.5
87.04459	1.3
91.03960	1.2
91.05478	50.1
92.05820	1.2
93.07043	42.3
95.04968	10.4
95.08607	26.8
97.02911	5.0
97.06529	14.3
97.10167	12.5
97.90144	0.9
99.04441	2.4
99.08081	2.9
105.07027	34.7
105.26842	0.9
106.07356	1.0
107.04971	5.0
107.07854	1.9
107.08589	36.2
108.08924	1.2
109.02859	1.8
109.06515	6.6
109.10157	15.0
111.04437	1.7
111.08063	5.1
113.09637	1.4
115.05437	1.5
117.07019	12.2
119.08582	16.6
120.08861	1.0
121.06493	2.8
121.10147	13.2
121.10925	1.5
123.04314	0.8
123.08047	2.5
123.11703	12.1
125.09624	8.8
127.03900	3.0
128.06261	1.8
129.07011	4.3
131.08569	16.2
133.10124	28.3
135.08060	3.8
135.11688	10.8
137.09630	2.7
143.08578	3.2
145.06471	1.1
145.10086	10.8
147.08098	1.5
147.11682	8.5
149.09659	9.2
149.13232	9.4
151.10081	1.2
151.11165	8.5
153.09067	1.5
155.08492	1.9
157.10110	5.0
159.11708	13.9
161.13266	2.9
163.11165	5.5
165.12762	1.6
169.10147	2.3
169.12241	1.0
171.11739	2.9
173.04523	1.5
173.11798	2.0
173.13261	3.0
175.11194	1.7
175.14752	1.0
177.12813	4.2
179.14284	2.8
183.11623	2.3
183.13791	3.1
185.13307	2.0
187.11438	1.0
187.13309	3.8
187.14751	1.0
189.11188	5.8
193.12262	1.4
195.13818	3.8
197.13242	2.1
213.14798	1.3
225.14804	3.0
227.12770	18.2
229.14265	1.7
229.19501	1.9
239.17981	2.0
243.15923	3.3
247.20518	1.7
255.16118	1.1
257.17099	1.3
257.19269	2.3
266.91360	0.9
267.16003	3.0
269.17480	11.8
273.18774	0.9
273.22049	1.0
275.20041	25.9
293.21158	3.3
301.20087	23.6
305.17313	1.1
331.22696	1.1
343.73245	1.2
349.23749	16.3
350.24277	1.1
397.25732	2.1
407.28952	1.1
421.29401	1.5
423.27420	5.1
425.31287	0.9
427.26929	8.1
433.31024	1.4
437.23517	1.3
437.29050	12.4
439.27084	1.1
449.29074	8.3
451.30719	4.6
455.29990	1.7
463.30548	10.2
479.24316	0.9
481.31857	3.0
489.35452	1.2
495.33359	16.5
499.34161	5.3
512.35571	1.2
517.35236	44.3
525.35461	2.4
531.36676	6.5
535.35791	1.4
539.28577	1.8
541.35498	1.0
542.35327	1.6
543.36682	27.5
557.29016	1.1
561.37451	2.3
575.39520	20.2
581.32538	1.2
583.30927	1.0
593.40472	2.4
607.34528	1.9
639.36200	1.5
744.36005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.9
55.05508	39.6
57.03434	19.3
57.07078	7.2
59.05003	35.6
61.02936	4.0
65.03925	4.7
67.05504	100.0
69.03425	8.5
69.07069	16.1
70.10092	6.4
70.10511	11.0
71.04994	8.7
79.05494	44.7
81.03419	7.7
81.07053	63.2
83.04996	5.0
83.08614	12.6
85.02895	8.2
85.06551	5.1
85.10262	3.3
87.04460	57.9
89.06036	3.8
91.05475	29.2
93.07044	41.2
95.04987	11.9
95.08604	41.0
97.06532	4.2
97.10162	20.1
99.04453	19.1
105.07021	18.1
107.08578	28.3
109.10162	53.8
111.08098	4.0
116.36420	3.1
117.07026	3.7
119.08569	15.3
121.10155	19.1
123.11634	3.9
125.09631	17.5
131.08589	12.5
133.10139	10.1
135.11707	13.2
137.13278	4.9
143.10786	4.4
145.10136	7.6
147.11722	5.8
149.13271	4.3
151.11186	3.2
159.11679	5.6
160.17415	4.0
161.13266	3.6
163.11241	7.0
173.11789	16.7
173.13120	4.5
187.14975	3.9
199.13278	12.3
223.13336	4.9
227.12843	9.3
229.14388	34.4
241.14340	4.5
243.21114	4.5
261.22156	13.0
315.18042	13.1
335.25797	73.5
393.33099	4.3
423.53873	3.4
477.35904	25.7
489.35703	49.7
507.11642	3.3
518.18616	4.1
575.39069	3.5
593.40063	5.7
791.44678	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	789.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	31.6
55.05511	42.6
57.03437	14.0
57.07069	4.0
59.05012	4.2
61.02921	10.4
65.03943	3.6
67.05507	100.0
69.03432	15.2
69.07066	42.9
69.87300	15.3
71.01360	2.8
71.04997	6.9
73.02920	5.7
77.03931	2.6
79.05494	84.3
81.03413	12.3
81.07056	98.0
83.04984	8.9
83.08619	17.5
85.02903	10.9
85.06538	5.3
87.12466	2.3
91.03954	4.4
91.05483	64.5
93.07045	93.7
95.04408	3.9
95.04960	19.6
95.08608	71.3
97.02901	11.4
97.06531	50.4
97.10169	16.7
99.04450	2.8
99.08092	3.8
105.07033	59.8
107.04959	18.6
107.08597	58.9
109.02899	4.6
109.06534	11.8
109.10152	32.0
111.08074	4.9
115.05398	3.1
117.07005	20.0
119.08595	44.9
121.06495	6.5
121.10134	26.7
123.04433	2.6
123.08083	8.4
123.11703	6.9
125.09636	21.2
127.03899	5.6
128.06177	2.3
129.07040	11.1
131.08557	36.8
133.06563	3.3
133.10146	36.7
135.08034	7.3
135.11688	20.1
137.09599	7.0
137.13274	2.8
141.07036	3.1
143.08592	13.5
145.06496	3.2
145.10133	29.8
147.05528	2.4
147.11659	16.5
149.09622	26.8
149.13277	5.7
151.11194	3.3
155.08551	5.9
157.10110	7.6
159.08096	2.9
159.11678	20.7
161.09598	2.9
161.13290	12.9
163.11198	13.8
169.10051	3.6
169.12282	2.8
171.10307	3.8
171.11725	9.7
173.13205	13.6
177.12746	5.7
179.14348	3.3
183.11757	5.7
185.13300	4.9
187.11221	3.7
187.13161	2.5
187.14755	5.9
189.11240	13.1
189.12700	3.6
191.14412	2.5
191.47778	2.4
197.13194	4.5
201.16235	2.3
227.12764	21.4
229.14326	2.9
239.18152	3.5
241.10484	2.3
243.21101	3.1
247.20242	2.5
257.18930	11.1
261.22092	12.4
275.20078	76.6
276.20596	2.3
277.21695	2.9
293.21106	9.4
333.24225	4.1
335.25824	88.2
349.23740	52.2
351.25610	3.0
369.38818	2.7
409.91443	2.3
430.13739	2.4
431.31552	11.4
505.35336	12.2
513.39160	8.4
515.37634	5.1
609.45129	57.6
627.46173	20.0
651.44135	2.5
789.49634	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	22.2
55.05265	2.7
55.05510	43.4
57.03436	20.5
57.07067	3.8
59.04986	2.9
61.02910	6.6
65.03941	5.4
67.05502	100.0
69.03428	13.2
69.07066	53.9
69.75169	5.3
69.75576	4.4
70.53422	1.5
71.01352	3.6
71.05003	10.5
73.02907	5.5
73.08937	1.4
79.05491	80.6
81.03418	56.3
81.07056	93.6
82.04173	2.4
83.04983	27.6
83.08614	31.5
85.02904	18.7
85.06532	5.9
91.03947	2.9
91.05483	83.5
93.07040	75.4
95.04968	40.0
95.08604	48.0
97.02892	13.5
97.06529	27.1
97.10176	17.5
98.20827	2.2
99.04471	2.8
99.08053	2.5
103.05493	2.0
105.07026	67.7
107.04960	20.0
107.08592	43.4
109.06517	13.2
109.09451	3.3
109.10151	38.1
111.04469	4.0
111.08069	13.3
113.05991	2.1
115.05475	3.3
115.29139	1.5
116.04678	3.3
117.07014	18.7
119.04925	2.1
119.08574	42.2
121.06541	10.1
121.10129	23.8
123.04389	1.8
123.08073	7.4
123.11681	5.4
125.09622	16.8
127.03911	3.7
128.06259	2.2
129.05487	10.2
129.07007	15.0
130.07692	1.6
131.04959	1.4
131.08575	30.2
133.06479	6.3
133.10132	38.5
135.08099	7.6
135.11679	19.7
137.09622	13.2
139.07562	1.8
141.07019	2.1
142.07759	4.6
143.08583	6.1
145.04971	1.8
145.06442	2.7
145.10117	24.5
147.08058	7.7
147.11688	24.2
149.09622	27.7
149.13231	5.3
151.11162	7.5
153.12611	1.6
155.08537	3.6
157.08617	4.5
157.10115	17.0
159.11694	15.0
161.09636	3.9
161.13246	6.0
161.60193	1.7
163.11174	18.5
165.09154	3.4
165.12764	3.6
169.10143	4.3
171.10213	3.7
171.11694	6.2
173.04572	1.8
173.09566	2.8
173.11752	5.5
173.13275	6.4
175.11162	13.5
175.14737	1.8
177.12720	4.6
179.14299	2.5
179.98956	1.7
181.12219	2.8
183.11742	3.7
185.13271	2.5
187.11189	2.1
189.11203	8.2
191.10681	3.7
193.12251	35.9
195.13826	2.8
199.13274	5.0
199.14885	2.4
205.12296	2.2
209.11690	3.2
211.13281	31.3
215.17891	1.6
223.13223	2.6
227.12781	16.0
229.14355	9.7
229.19612	3.8
239.18112	2.9
247.20586	2.4
249.14822	2.0
253.14352	15.8
255.15985	5.2
257.18918	6.6
259.20618	4.9
265.14206	1.9
267.15903	26.5
269.17371	10.5
273.18387	8.3
275.20059	35.6
283.15256	9.6
285.16946	22.6
291.19547	13.9
293.21039	5.1
299.14816	2.9
301.16446	25.7
329.21133	2.2
331.22562	2.9
333.24158	3.2
347.22296	2.2
349.23709	35.2
365.23264	7.7
381.22485	2.8
421.25720	2.2
423.27271	4.8
439.26801	6.1
445.25076	2.9
449.29578	1.7
463.25940	2.0
463.31079	3.2
471.25851	2.0
477.27835	3.9
479.29770	2.0
481.27719	3.0
495.29367	10.3
529.34686	1.8
539.33917	3.6
541.35419	8.1
557.34680	18.4
559.36249	19.7
575.35663	26.5
577.36450	2.0
593.36633	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	789.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01617	4.0
55.01869	44.8
55.05508	46.8
56.46784	1.8
57.03432	16.8
57.07068	4.3
59.82196	2.4
61.02931	19.0
65.03931	6.3
67.05502	100.0
69.03423	13.1
69.06712	3.6
69.07061	34.9
71.04990	6.0
71.51896	3.1
73.02909	6.7
79.05491	92.6
81.03426	11.5
81.07052	83.5
83.04977	14.6
83.08614	20.9
84.04695	2.2
85.02903	16.2
85.06512	4.1
91.03951	5.4
91.05475	77.8
93.07042	76.5
95.04967	16.8
95.08602	63.1
97.02898	14.8
97.06528	50.0
97.09667	2.3
97.10181	19.5
105.04489	2.5
105.06503	1.5
105.07026	60.6
107.04944	24.0
107.08592	61.3
109.06507	9.0
109.10162	29.2
111.08041	4.5
115.05455	2.7
117.07020	20.1
119.08578	37.7
121.06506	5.3
121.10139	28.3
123.08059	6.4
123.11703	8.6
124.77297	2.4
125.09614	22.5
127.03882	4.9
128.06235	2.9
129.06999	7.4
131.08565	35.0
132.17928	2.2
133.10117	31.8
135.08069	8.4
135.11697	18.0
137.09622	5.0
137.88878	2.3
143.08578	8.9
143.20488	2.4
145.10107	23.8
147.11679	24.9
149.09602	33.1
149.13234	6.5
151.11253	4.1
153.09131	2.8
155.08553	6.0
157.10117	8.3
159.11720	18.8
161.09630	6.1
161.13277	11.3
163.11200	12.3
163.14804	2.8
169.10147	4.9
171.10159	5.4
171.11653	7.2
173.11977	2.6
173.13229	14.1
175.11241	2.2
175.14760	2.8
177.12752	3.9
179.14296	3.1
180.89442	2.4
183.11697	4.9
185.13281	3.7
187.11263	3.5
187.14795	3.7
189.11232	19.8
189.16388	2.8
197.13298	3.4
201.12871	2.6
201.16379	3.5
211.01955	2.1
217.15869	2.3
227.12781	36.3
233.15248	2.6
239.18007	6.6
241.19601	3.5
243.21098	3.7
245.13808	3.4
247.20546	2.9
257.19016	11.6
259.20642	5.5
261.22134	10.7
275.20065	80.9
283.15451	2.4
293.21140	6.3
331.22852	3.9
335.25763	85.0
337.27542	2.6
341.21063	2.3
349.23694	51.5
351.25305	3.8
431.31604	7.2
501.70474	2.7
505.35257	13.8
513.39246	8.6
515.36890	4.8
538.62866	2.5
609.45081	47.7
627.46185	21.1
731.99506	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.1
55.05501	0.4
56.40145	0.1
56.96552	0.1
57.03435	0.1
60.05641	0.2
61.02912	0.1
67.05506	0.6
68.99791	0.3
69.03429	1.4
69.07061	0.3
70.06587	0.2
71.04946	0.4
71.05321	0.2
71.63194	0.1
73.02911	0.3
73.04043	0.2
79.05492	0.7
81.03419	1.5
81.07054	1.1
83.04981	0.3
83.08580	0.1
85.02898	1.5
85.06580	0.1
86.09715	0.1
87.00834	0.2
87.06712	3.4
91.05470	1.7
93.07033	1.0
95.04982	0.4
95.08608	0.6
97.02890	1.2
97.06540	0.4
97.10142	0.2
99.04447	0.4
99.08089	0.1
103.05483	0.4
105.07032	2.6
107.04946	0.2
107.08556	0.7
109.02879	1.4
109.06503	0.1
109.10157	0.3
111.04416	0.1
111.06655	0.1
113.04590	0.3
115.03969	0.1
115.05457	0.2
115.06214	0.1
117.07014	0.5
119.04941	0.5
119.08572	1.1
120.08150	0.2
121.02857	0.1
121.06510	0.3
121.10144	0.5
123.04427	0.3
123.08070	0.2
123.11751	0.2
124.05211	0.2
124.30943	0.1
125.03457	0.1
125.04540	0.2
125.09607	0.2
126.02999	0.3
127.03923	1.4
131.04929	0.3
131.08572	0.4
133.06485	0.3
133.10162	1.2
135.04355	0.2
135.11662	0.2
137.05992	0.7
141.01840	0.1
141.04086	1.4
142.04857	0.4
143.05638	100.0
144.05948	0.5
145.02815	0.3
145.04945	0.2
145.06541	0.1
145.10132	0.7
147.04425	0.8
147.11682	1.2
149.09619	0.2
151.03885	0.3
153.01863	0.3
153.05444	0.2
159.02937	0.2
159.11691	0.4
160.05014	0.1
161.06006	0.3
161.13242	0.4
163.03915	0.3
167.05687	0.3
167.07028	4.2
171.02873	0.2
173.05980	0.2
173.13258	0.3
175.03856	0.6
177.05417	0.6
178.24495	0.1
179.07039	0.2
181.04942	0.5
181.08585	0.2
185.06720	0.9
188.14888	0.1
193.08627	0.2
201.16461	0.4
203.07097	0.1
205.08694	0.1
207.06546	1.2
208.06866	0.2
213.03871	0.3
219.17427	1.0
229.14359	0.1
231.04880	0.1
251.07538	0.1
271.06012	2.4
279.11099	0.1
283.05951	0.2
287.05487	0.9
288.05719	0.3
295.06253	0.2
303.04965	0.1
305.10938	1.8
355.08743	0.1
361.22269	0.1
369.11795	0.2
373.09891	2.1
391.10913	0.2
397.69159	0.1
399.08130	0.1
417.15378	0.4
419.11209	0.2
431.11023	0.2
433.12125	0.7
449.11908	0.2
481.11749	0.3
493.14301	0.2
499.13007	2.5
517.14136	2.3
535.15186	6.7
551.14294	0.2
553.16187	2.5
601.62787	0.1
753.31207	0.1
767.28314	0.1
771.32941	1.0
789.33643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
55.05251	0.2
55.05510	2.2
57.03397	1.2
61.02932	1.4
65.03914	0.8
65.93671	0.3
67.05506	4.2
69.03436	2.3
69.07060	1.9
70.05309	0.8
70.05730	0.7
71.04957	0.8
71.54626	0.3
79.05492	3.0
81.03424	1.7
81.07062	3.8
83.04975	0.5
83.08582	1.0
85.02899	2.1
91.03908	0.8
91.05478	4.2
92.04491	0.3
92.05005	5.8
93.05756	1.2
93.07036	2.2
94.06538	1.1
94.39928	0.3
95.04944	1.2
95.08612	1.7
97.02904	1.4
97.06494	0.4
97.10123	0.5
98.20834	0.3
101.02338	0.5
105.07040	2.2
106.06558	2.6
107.04916	0.4
107.08580	1.3
109.06452	0.5
109.10114	1.3
117.05766	2.4
117.06992	0.8
118.06543	21.6
119.07365	1.5
119.08576	1.5
120.08102	2.2
121.10097	0.6
123.08015	0.3
127.03883	0.3
129.07014	0.5
130.06535	2.3
131.07294	0.3
131.08511	0.7
132.08083	3.6
133.10085	1.1
134.09604	0.9
135.08055	0.3
135.11617	0.4
137.08356	0.3
144.08035	1.0
145.08878	0.4
145.10081	0.5
145.11169	0.3
146.09622	0.8
147.11612	0.5
149.13173	0.3
151.11182	0.4
160.11111	0.4
162.09145	23.2
163.09930	6.1
163.11169	0.3
164.10709	0.9
173.13237	0.4
176.10699	2.6
193.12274	0.4
202.15918	5.8
218.15390	0.7
223.13235	0.4
230.15402	41.3
231.15791	0.6
232.16975	0.3
248.16510	2.0
253.14462	0.6
262.17960	2.0
267.15970	1.1
274.18015	1.6
275.20071	0.7
291.19531	1.1
291.67999	0.3
292.19070	94.3
293.19312	2.7
304.19067	2.9
318.20496	0.4
322.20154	0.8
332.22296	1.4
332.26038	0.3
348.21747	3.8
480.25842	0.4
510.26987	9.7
533.34839	1.0
541.35278	1.6
559.36267	0.4
626.44128	4.8
788.49408	100.0
789.50049	6.0
820.59949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	0.2
55.05513	1.9
57.03442	0.9
61.02916	1.5
65.03912	0.4
67.05505	3.3
69.03419	1.4
69.07066	1.4
69.27120	1.6
69.27540	0.5
71.01349	0.2
71.04966	0.4
79.05497	2.3
80.31540	0.2
81.03415	1.5
81.07056	3.0
83.01309	0.2
83.04971	0.4
83.08569	0.8
85.02905	1.4
87.04443	0.3
91.03897	0.7
91.05480	4.4
92.05006	5.8
93.05791	1.4
93.07033	1.9
94.06575	1.1
95.04952	0.9
95.08614	1.5
97.02889	1.1
97.06495	0.5
97.10157	0.2
101.02334	0.5
105.07043	1.6
106.06562	2.0
107.04894	0.6
107.08603	1.4
109.02801	0.2
109.06497	0.3
109.10164	1.3
111.08042	0.2
117.05755	2.0
117.07030	0.5
118.06541	17.7
119.07343	2.3
119.08554	1.1
120.08105	1.9
120.93098	0.2
121.06485	0.2
121.10117	1.0
121.37527	0.2
123.08075	0.2
123.85474	0.2
127.03884	0.3
129.06976	0.3
130.06528	1.6
131.07300	0.6
131.08522	0.6
131.26059	0.2
132.08081	2.8
133.08911	0.4
133.10083	1.3
134.09669	1.0
135.11711	0.4
137.08347	0.4
144.08047	0.6
145.08823	0.3
145.10117	0.5
146.09666	1.1
147.11627	0.3
148.11284	0.2
149.09610	0.3
150.09012	0.2
151.11118	0.3
157.10104	0.5
158.09682	0.3
159.11638	0.4
160.11176	0.4
162.09137	19.8
163.08659	0.4
163.09929	5.2
163.11157	0.3
164.10727	1.1
173.13295	0.3
174.12846	0.2
175.11191	0.3
176.10712	1.9
190.12218	0.3
193.12102	0.3
202.15903	5.2
204.13789	0.2
218.15343	0.3
230.15396	35.2
231.15802	0.4
246.18626	0.4
248.16464	1.6
253.14331	0.5
258.18573	0.2
262.18008	1.5
267.15875	1.3
274.18018	2.0
275.20032	1.4
288.19751	0.3
291.19550	0.6
292.19058	100.0
293.19473	1.8
304.19061	1.9
318.20563	0.3
322.20203	0.7
332.22119	1.7
343.60379	0.2
348.21716	3.4
349.23651	0.5
424.21121	0.2
510.27017	7.8
533.34808	0.4
541.35217	2.8
559.36426	0.5
594.56897	0.2
626.44202	4.0
788.49390	98.0
789.49658	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	788.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.0
55.05510	18.2
57.03437	9.6
57.07084	1.9
59.04989	1.2
61.02927	3.4
65.03941	3.5
67.05505	81.1
69.03427	5.0
69.07071	17.7
71.01338	1.1
71.04994	39.0
71.51964	2.1
73.02927	1.1
77.03950	1.0
79.05492	41.3
81.03413	9.5
81.07056	100.0
81.09235	1.1
83.04993	11.3
83.08622	10.2
85.02916	3.1
85.06548	10.7
87.04462	1.1
91.05480	67.2
92.05065	1.0
93.07043	44.1
93.07641	2.2
95.04958	12.2
95.08604	21.2
97.02907	2.4
97.06538	10.0
97.10159	2.4
99.04467	2.0
99.08090	2.2
101.06005	1.8
103.05460	1.9
105.07030	48.8
106.08886	1.1
107.04952	8.8
107.08595	41.8
109.02899	1.4
109.06519	8.5
109.10155	50.2
111.04473	1.9
111.08094	4.8
113.06026	2.3
115.05431	1.2
115.07567	1.9
117.07017	9.3
118.06544	2.4
119.08591	10.7
121.06503	8.2
121.10144	10.3
123.04483	1.8
123.08063	2.6
123.11714	14.2
125.09602	2.0
127.03927	1.3
127.07523	2.0
128.06232	1.2
129.07005	4.2
131.08566	14.0
133.06490	3.5
133.10129	73.0
134.10542	1.8
135.08060	6.1
135.11681	7.5
137.09555	1.7
143.08601	4.8
145.06483	1.2
145.10130	4.2
147.08078	3.1
147.11684	4.5
149.09625	6.0
149.13272	5.1
151.11183	34.6
153.12831	1.4
155.08626	1.5
157.10141	3.2
159.08066	1.5
159.11673	7.8
161.09651	5.5
161.13268	2.2
162.09190	2.2
163.11143	1.8
169.12241	5.5
170.51628	1.0
171.08089	0.9
171.11717	3.7
173.09647	1.5
173.13191	1.6
175.11220	2.8
177.09171	1.3
177.12766	3.3
179.10739	2.7
183.11775	1.2
183.13824	3.9
187.13354	4.0
189.12753	1.5
193.12247	1.2
195.13747	2.3
209.11731	1.0
215.12875	2.7
225.14905	3.3
225.31131	0.9
230.15434	3.6
243.16029	2.3
245.19073	2.4
251.12688	2.2
253.14352	93.3
254.14752	2.2
255.17580	2.2
257.17545	3.3
263.20093	2.5
267.15948	1.6
269.17429	7.3
271.15210	1.2
273.18497	17.5
291.19507	16.8
292.19104	9.4
301.20071	29.4
309.20786	1.3
335.25806	4.3
347.22076	7.9
365.23203	19.7
421.26035	6.0
447.27655	1.6
451.26855	1.8
453.28482	33.4
454.28680	1.0
465.28464	5.4
479.30011	3.1
497.31250	6.8
510.26831	1.3
515.33661	13.1
533.34753	67.5
534.35022	3.5
541.35345	6.1
547.36334	10.7
559.36279	31.2
560.36969	1.8
573.37872	3.9
591.38873	43.4
592.39307	2.1
788.49609	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	788.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
55.05506	16.9
57.03435	15.6
57.07058	2.8
61.02928	1.8
65.03931	3.0
67.05503	59.8
69.03417	3.7
69.07068	12.1
70.13354	1.3
71.04989	3.6
71.60770	2.2
79.05059	2.7
79.05490	38.2
81.03417	84.5
81.07058	55.7
83.04972	4.9
83.08228	1.5
83.08627	20.3
85.02890	4.2
91.04971	2.2
91.05484	31.3
92.10166	1.3
93.07040	44.3
95.04967	30.2
95.08604	38.5
97.02886	5.2
97.06508	4.5
97.10149	5.9
97.41650	1.5
104.35744	1.5
105.07027	24.5
106.07334	2.0
107.04936	6.3
107.08588	21.9
109.06512	4.6
109.10151	19.9
111.08061	6.1
115.05445	1.5
117.07023	8.3
119.08585	22.4
120.85473	1.4
121.06507	3.5
121.10148	22.0
123.08089	4.0
123.11732	7.1
125.09597	4.0
128.48096	1.4
129.07014	10.1
131.08580	17.7
133.06471	4.7
133.10138	11.4
135.11697	10.2
137.09679	2.2
142.07744	2.4
145.10103	10.0
147.08044	3.7
147.11693	11.4
149.09605	6.4
149.13211	6.6
157.10112	8.5
159.11719	8.7
161.13263	5.6
163.11214	2.7
163.14787	3.7
171.11685	1.6
173.11914	1.6
173.13280	4.7
175.11116	7.2
179.73032	1.5
185.13208	2.5
186.35904	1.4
187.14793	3.6
189.11227	3.4
193.12248	21.9
205.12083	1.6
211.13196	2.1
227.12730	7.3
243.21062	5.4
247.17117	2.0
249.14883	2.6
261.22137	16.6
267.15909	100.0
275.19897	2.0
279.23184	1.9
301.25229	5.0
309.16766	2.4
317.24753	2.4
333.24210	1.9
335.25790	79.9
336.26312	2.9
421.25607	2.7
432.71939	1.8
435.32584	4.9
449.28702	1.7
453.33344	8.6
457.19287	1.7
471.34515	4.2
527.37311	51.6
528.36792	1.9
536.67499	1.5
545.30511	2.6
545.38385	36.9
559.37952	1.8
569.38220	2.9
591.38721	2.3
626.44720	3.3
661.52612	1.8
788.49774	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	788.477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	4.2
55.05450	19.7
57.03379	5.8
57.07039	0.9
59.04962	1.3
61.01223	0.7
61.02866	2.5
65.03883	3.0
67.05438	49.6
67.05824	3.6
68.84062	0.7
69.03360	10.2
69.07067	25.9
69.07404	1.8
69.39410	0.8
70.64629	2.7
71.04926	20.8
73.02855	1.7
79.05494	25.5
79.05906	1.4
81.03409	6.9
81.07055	66.7
82.07330	0.9
83.04982	4.9
83.08614	11.0
83.72578	0.8
85.02833	2.9
85.06533	6.2
91.05476	29.4
91.91013	0.7
92.04932	1.9
92.05771	1.2
93.07041	25.7
95.04975	8.7
95.08607	14.8
97.02887	9.9
97.06519	6.1
97.10168	9.8
99.04389	1.4
99.08022	1.2
105.07021	18.2
106.06511	1.2
107.04934	5.7
107.08594	19.0
108.08890	0.7
109.02832	0.7
109.06505	3.9
109.10154	11.3
111.04372	1.7
111.07993	2.8
113.05910	1.2
115.05386	0.9
117.05692	1.4
117.07017	8.4
118.06546	10.1
119.07272	1.5
119.08568	10.8
120.08059	1.1
121.06422	2.9
121.10143	8.7
123.07970	3.1
123.11707	9.0
125.09621	7.6
127.03856	1.1
128.06169	0.9
129.06926	2.9
130.06528	0.9
130.07588	0.9
131.08559	8.4
132.08006	0.8
132.08894	0.8
133.06435	2.2
133.10143	16.6
134.07245	0.9
134.09576	0.8
135.08057	3.6
135.08833	0.7
135.11685	4.5
137.09520	1.1
143.08578	3.2
145.06401	0.9
145.10129	6.8
146.09521	0.8
147.08020	4.1
147.11604	3.1
149.09518	2.2
149.13277	6.5
151.11226	5.6
155.08461	1.3
157.10072	3.5
159.11702	5.8
161.09509	2.0
161.13118	1.4
162.09138	13.2
162.10413	0.8
163.09808	4.0
163.11136	1.5
165.02133	0.7
165.09035	0.9
169.09972	0.7
169.12224	1.1
171.10109	0.8
171.11615	2.1
173.04329	0.8
173.09488	1.0
173.13223	0.8
175.11101	1.8
176.10648	1.3
177.12738	3.5
181.10078	0.9
183.13773	1.9
185.13217	1.3
187.11246	0.8
187.13239	4.6
189.11128	3.0
189.12668	1.2
193.12074	1.2
195.11760	1.0
195.13727	2.7
201.14775	1.0
202.15817	3.1
205.12161	1.3
211.13084	1.0
213.14769	1.3
223.13275	16.8
225.14783	4.4
227.12801	4.6
230.15399	19.9
231.15683	0.8
241.22104	0.7
243.15948	1.2
245.18970	1.1
248.16505	0.8
249.14810	2.6
253.14250	1.3
255.17418	1.0
257.17487	2.9
262.18051	1.6
267.15887	1.9
269.17471	7.9
273.18521	12.1
275.19885	1.4
276.20270	1.1
291.19531	82.9
292.19067	52.4
301.20059	22.8
309.20547	1.5
347.22168	2.8
348.21811	1.4
357.36206	0.8
365.23230	20.6
427.26990	1.1
461.29175	1.9
479.30002	1.0
510.26987	4.4
511.33002	1.6
515.33392	3.9
533.34729	100.0
534.35187	1.9
541.35260	4.1
547.36322	18.5
559.36304	60.5
560.36749	2.0
567.39606	0.7
573.37445	1.3
591.38947	30.0
608.43976	1.4
622.57306	0.8
626.35596	0.8
626.44232	4.6
788.49390	65.0
789.38123	1.3
789.50446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.8
55.05296	2.4
55.05516	24.6
57.03436	25.4
57.07070	5.1
57.77739	1.8
60.06054	1.8
61.02921	4.7
65.03944	4.3
65.39201	1.7
67.05504	85.8
68.05852	2.9
69.03431	9.7
69.07068	24.9
69.42659	1.8
71.04990	7.5
71.60629	3.3
75.62424	2.3
79.05492	59.1
80.05828	2.4
80.77164	2.0
81.03417	80.1
81.07057	83.7
82.07394	4.6
83.04970	11.4
83.08611	25.0
85.02915	5.9
85.06533	4.6
86.03273	2.1
86.18309	2.1
91.03959	2.5
91.05478	45.0
92.05804	3.9
93.06467	3.8
93.07042	63.0
93.07630	3.5
94.07368	2.8
95.04969	35.2
95.08606	49.1
97.02905	7.7
97.06538	7.9
97.10172	10.4
99.08087	2.5
105.07020	33.9
106.07352	3.2
107.04944	9.7
107.08588	36.8
109.06518	9.6
109.10142	26.3
111.04443	2.3
111.08056	9.2
115.05428	4.2
117.06990	13.6
119.05038	2.1
119.08575	29.6
121.06493	3.5
121.10136	32.1
123.08067	4.1
123.11720	8.4
125.09628	5.9
129.07004	14.7
131.08571	25.9
131.75800	2.0
133.06493	5.7
133.10126	20.8
135.08035	5.0
135.11678	18.8
136.08305	2.2
136.12000	2.2
137.09602	4.5
139.11195	2.3
143.08568	4.0
145.06525	2.3
145.10115	15.6
146.10468	2.2
147.08087	2.2
147.11685	19.6
148.11960	2.1
149.09654	7.2
149.13271	7.1
151.11249	2.3
153.88501	2.0
154.25047	2.0
155.08601	3.0
157.10149	14.9
159.11681	10.7
161.13275	7.0
163.11192	2.3
163.14865	4.1
165.12770	2.2
169.10196	2.3
171.11720	7.6
173.04448	3.0
173.11899	2.3
173.13269	7.7
175.11182	8.9
175.14859	4.2
177.16396	2.4
183.11700	4.7
187.14864	5.4
189.11276	4.8
190.77190	2.2
193.12231	25.5
199.14888	2.8
201.16377	2.7
211.13210	3.8
227.12677	10.3
229.14333	4.8
243.21147	7.2
249.14995	3.6
259.20422	2.5
261.22098	22.2
267.15903	92.5
273.18304	2.8
299.15057	4.4
301.21899	3.1
301.25427	7.4
309.16736	2.3
317.39111	2.3
331.17554	7.3
335.25787	100.0
336.26358	4.5
366.68295	2.2
435.32605	6.6
453.33511	7.2
514.35651	2.9
527.37311	53.8
528.37567	4.6
545.38281	38.8
546.38306	3.8
554.38586	2.0
569.38171	5.4
591.38757	7.7
608.44165	5.9
625.44098	2.8
626.44946	15.4
733.53406	2.5
788.48297	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	787.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	12.6
55.05262	3.9
55.05512	41.9
57.03242	1.9
57.03436	20.3
57.07074	9.3
59.92131	2.3
61.02922	22.9
61.32038	2.1
65.03939	4.5
67.05506	84.1
68.05853	2.6
69.03425	25.1
69.07075	33.8
69.47617	12.2
69.48039	5.9
71.01378	2.5
71.04980	12.1
71.08630	4.1
73.02906	10.0
79.05496	68.3
81.03419	20.1
81.06591	3.6
81.07059	71.9
83.04980	12.5
83.08623	23.3
85.02904	22.9
85.06531	7.2
87.04493	5.6
89.06013	9.7
91.03944	9.4
91.05483	59.8
92.06303	2.1
93.07044	63.2
95.04962	19.4
95.08607	57.8
97.02884	23.1
97.06533	16.7
97.10193	11.7
99.04450	8.2
99.08083	6.6
103.05479	3.2
103.37073	2.2
105.07035	59.4
107.04942	9.7
107.08601	38.7
109.02856	4.6
109.06522	22.6
109.10159	23.2
111.04446	4.6
111.08064	6.9
115.05452	3.7
117.07017	27.6
119.08585	40.9
121.06496	6.1
121.10136	25.9
123.08050	7.2
123.11706	7.9
125.06063	2.3
125.09618	8.0
127.03903	6.3
128.06252	4.7
129.05490	3.8
129.06999	26.8
131.04843	2.5
131.06984	2.1
131.08577	37.8
132.49275	2.1
133.06436	3.7
133.08575	4.4
133.10129	31.7
135.08070	11.3
135.11684	13.1
137.09650	5.4
139.11143	2.3
141.07030	11.7
142.07802	5.0
143.08569	29.9
145.06529	5.4
145.10136	40.2
147.08043	6.3
147.11676	24.3
149.09610	6.8
149.13283	7.5
151.11092	3.6
153.06966	3.3
155.07294	3.7
155.08563	25.3
156.09409	2.7
157.10123	27.6
159.08015	2.9
159.11702	27.7
161.09616	7.0
161.13275	8.2
163.11232	7.2
163.14996	2.7
165.07040	4.3
167.08582	10.5
168.09271	3.8
169.10117	23.1
170.10815	2.5
171.08157	2.6
171.11705	23.3
173.09618	5.3
173.11871	3.5
173.13232	13.4
175.11180	5.1
177.12764	2.3
179.08568	5.3
181.10109	12.0
182.10844	2.7
183.11716	26.8
185.09570	3.3
185.13295	19.0
187.11223	4.9
187.14806	7.5
189.12827	2.5
193.10123	8.9
193.11964	2.1
195.11714	14.9
197.13237	18.7
199.14862	10.6
201.12810	4.5
201.16380	4.9
203.14354	3.3
205.10197	3.4
207.11664	9.3
207.13615	2.4
208.12291	2.3
209.13264	11.5
211.14862	14.6
213.16423	7.0
215.17885	2.6
217.15956	3.3
219.11868	2.8
221.13271	7.8
223.14873	11.4
225.16383	5.1
227.20035	41.0
228.20427	24.2
235.14786	5.2
237.16418	6.5
239.17993	5.0
241.19550	3.6
245.19025	2.8
247.14751	2.4
249.12677	2.4
251.14548	2.3
251.18048	5.0
257.18954	3.8
259.20490	7.8
261.16260	3.4
261.22046	2.6
263.18039	2.5
273.18536	4.7
275.20206	10.6
279.21027	3.2
283.10126	2.8
283.20551	2.3
291.19598	2.9
295.20572	2.7
297.22015	2.5
299.19980	2.4
313.21701	4.5
325.25177	2.7
329.20834	2.6
330.50848	2.1
333.24313	4.9
335.25821	7.8
349.24097	8.4
407.29642	2.8
421.30832	4.0
439.31830	3.1
447.32190	3.4
461.62869	2.4
485.32153	3.5
495.34268	3.4
499.34076	3.3
501.35260	3.2
513.35883	25.1
515.38422	9.3
527.37427	4.5
533.39716	9.5
539.37164	7.2
541.38947	6.7
546.16486	2.7
551.40259	4.1
553.38593	6.8
555.41736	3.0
567.40149	2.9
589.42578	3.6
607.43506	59.1
608.43994	4.9
625.44653	100.0
733.46893	3.2
751.47583	3.5
769.48547	9.1
787.50244	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81620	1.1
55.01874	16.9
55.05506	28.6
57.03431	8.9
57.07068	3.2
59.04999	1.9
61.02923	15.6
65.03918	3.4
67.05504	60.6
69.03430	12.5
69.06715	2.3
69.07067	25.7
70.66693	4.3
71.04977	4.9
73.02908	6.9
73.32134	1.3
79.05492	43.3
81.03405	13.1
81.07053	49.6
83.04977	7.7
83.08614	15.9
85.02898	13.0
85.06537	2.4
87.67236	1.1
91.03953	7.0
91.05477	39.2
92.64738	1.2
93.07041	43.5
93.07941	1.7
95.04964	10.4
95.08604	33.3
97.02889	12.8
97.06528	15.2
97.10172	10.9
99.04463	3.1
103.05460	2.0
105.07027	37.5
107.04932	6.2
107.08591	27.9
109.02892	2.8
109.06533	4.6
109.10140	21.4
111.08076	4.7
115.05448	3.6
117.07024	17.1
117.63667	1.3
119.04973	1.4
119.08580	26.7
121.06458	2.6
121.10139	17.2
123.08087	4.2
123.11717	8.1
125.09632	8.0
127.03914	3.5
128.06201	4.8
129.05511	2.1
129.06998	16.4
130.07793	2.3
131.08563	30.4
133.06467	1.8
133.10130	20.5
133.38940	1.2
135.08064	7.3
135.11682	9.0
137.09615	2.5
141.06967	6.9
142.07768	3.8
143.08554	26.2
145.06451	2.8
145.10114	25.1
145.11156	2.2
147.08090	3.7
147.11711	13.5
149.09621	7.6
149.13260	5.3
153.07031	2.0
154.07787	3.0
155.08548	11.2
156.09354	3.3
157.10143	20.2
159.07986	1.8
159.11678	16.2
161.09659	3.1
161.13228	8.5
163.11176	4.6
163.14778	1.7
165.07022	2.4
167.08574	5.6
168.09387	2.3
169.10112	15.5
171.10233	2.6
171.11693	16.3
173.04416	2.8
173.09618	2.4
173.11858	2.8
173.13216	11.6
175.11186	2.5
175.14882	4.0
179.08565	2.1
181.10184	8.9
182.10857	3.1
183.11696	15.3
184.12401	1.5
185.13290	10.9
187.11230	2.3
187.13324	1.7
187.14854	6.0
189.11195	4.6
193.10092	2.8
195.11713	9.9
197.13251	13.8
199.11253	2.1
199.14815	7.4
201.16360	2.5
205.10164	1.8
207.11670	3.0
209.13272	6.6
211.11008	1.4
211.14882	6.5
213.12842	1.6
213.16380	4.0
215.17996	2.0
219.11707	1.6
221.13263	3.6
223.14825	5.6
225.12799	1.7
225.16374	4.7
227.12709	9.8
227.17978	2.3
229.14389	4.3
231.20978	1.6
235.14816	3.8
237.16422	2.9
239.17966	5.0
241.19530	3.8
247.14821	2.1
249.16357	1.5
255.21086	1.8
257.18945	4.6
259.20627	8.6
261.18491	1.7
265.19702	1.7
267.20990	2.0
271.20428	1.6
273.18622	2.6
275.20087	12.4
277.19296	1.8
291.19510	3.3
295.20465	2.1
297.22287	1.9
309.22058	2.0
315.23367	2.1
321.22287	1.7
325.25018	1.5
333.24353	7.3
335.25790	4.9
349.23718	7.5
365.24115	1.5
365.28418	3.0
381.31543	2.5
383.29449	2.1
421.31119	3.5
435.33041	1.6
439.31827	2.8
445.31146	1.4
475.33688	1.6
487.34033	1.7
495.34805	3.1
513.35767	27.2
514.35626	1.8
515.37970	4.1
527.37219	6.9
533.39954	6.2
537.35767	1.6
538.36615	1.5
551.40961	2.9
567.40955	1.4
589.42114	3.5
597.45044	1.6
607.34119	2.7
607.43530	45.0
608.43768	4.1
625.44611	100.0
626.45148	7.4
733.46472	3.9
751.46588	2.2
769.48395	4.3
787.49573	18.3
788.50433	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.7
55.05515	30.3
56.89551	2.0
57.03440	16.9
57.07069	6.2
59.05001	2.9
61.02940	9.5
65.03931	6.1
67.05505	95.2
69.03431	20.0
69.07070	36.7
70.23112	9.7
71.04986	8.0
71.08636	2.5
73.02917	5.5
79.05494	71.9
81.02926	2.0
81.03416	60.5
81.07061	100.0
82.41377	1.7
83.04997	17.1
83.08625	18.7
85.02911	12.9
85.06542	4.7
91.03939	4.0
91.05483	74.8
92.05817	2.3
93.07040	69.8
95.04975	20.0
95.08602	55.3
97.02894	21.0
97.06544	20.6
97.10164	7.6
97.64447	1.9
99.04462	6.0
99.08091	3.9
103.05477	3.9
105.07034	63.6
106.07344	2.4
107.04943	11.0
107.08597	39.5
109.02891	8.9
109.06539	11.6
109.10154	25.7
111.04459	5.1
111.08107	6.0
115.05444	4.7
116.06236	3.6
117.07016	27.3
119.08583	48.2
120.08924	2.7
121.06489	6.2
121.10151	29.4
123.08060	6.5
123.11707	6.8
125.09641	3.8
127.03930	8.5
128.06230	5.9
129.05513	2.6
129.07013	19.9
130.07787	3.7
131.08566	39.6
133.06491	4.9
133.10132	40.8
135.08043	5.8
135.11678	16.0
137.09566	5.3
141.06963	6.9
142.07813	3.4
143.08580	18.3
145.04926	2.7
145.06461	4.0
145.10120	31.6
147.08044	5.7
147.11693	28.3
149.09644	6.9
149.13278	9.9
151.11174	4.0
155.08594	9.1
157.10136	18.7
159.08075	4.6
159.11678	21.8
161.09538	3.3
161.13261	12.1
163.11203	5.6
163.14882	3.6
165.12758	5.3
167.08572	6.7
169.10153	13.1
171.08086	2.6
171.11674	14.2
173.04472	17.3
173.09668	2.4
173.13274	12.3
175.11227	5.4
175.14818	6.1
177.12773	3.4
181.10120	6.5
183.11736	9.2
185.13255	10.4
187.14832	7.6
189.11221	2.7
189.12802	2.7
189.16353	2.4
193.10335	2.0
193.12289	7.2
195.11731	5.9
197.13243	8.1
197.21404	1.9
199.14861	8.3
200.81291	2.4
201.12833	2.6
201.16371	2.2
209.13309	4.7
211.11310	3.5
211.14870	2.8
213.12813	3.2
213.16344	2.0
223.14795	2.4
225.16261	2.3
227.12776	3.4
227.17963	3.2
227.20055	4.1
229.14314	3.8
241.19511	7.3
243.21092	3.9
251.17995	2.9
257.19028	7.1
259.20602	12.2
261.22141	9.9
263.20132	2.7
267.15894	27.4
269.17545	3.1
271.20630	3.8
273.18582	9.4
275.20071	18.4
291.19547	4.1
293.21109	2.5
301.21622	3.3
311.23608	2.1
313.21710	3.1
315.23199	2.4
317.24698	2.2
333.24380	11.9
335.25861	36.2
336.26163	2.9
349.23715	6.4
357.24039	2.5
360.10049	2.4
367.22693	2.8
395.28708	2.0
403.24756	2.6
435.32507	5.0
453.33444	3.1
501.35794	2.4
513.35809	7.0
515.38348	4.1
525.35455	2.7
527.37341	33.4
529.38531	2.3
533.39771	4.5
545.38080	9.8
551.40674	3.5
569.38043	2.8
607.43616	27.7
625.44708	42.4
671.41418	5.7
689.42572	11.3
733.46838	3.9
751.46942	3.3
769.48456	6.7
787.48492	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	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	17.4
55.05508	42.3
57.03429	15.1
57.07077	3.5
57.36641	1.7
57.68595	1.5
59.04998	2.8
61.02926	17.2
65.03921	3.7
67.05499	100.0
68.05833	1.9
69.03426	22.5
69.07065	31.5
70.30907	7.3
71.04980	6.2
71.08627	1.9
72.03047	2.0
73.02916	8.6
76.42761	1.6
77.03894	2.5
79.05487	69.3
81.03413	28.8
81.07053	85.3
83.04973	13.7
83.08607	20.7
85.02894	19.7
85.06519	5.3
87.04463	2.2
91.03944	7.9
91.05476	61.3
93.07035	66.2
95.04984	13.4
95.08603	57.0
97.02879	20.3
97.06520	20.5
97.10152	10.4
98.20740	2.1
99.04436	3.4
99.08081	4.2
103.03868	1.6
103.05467	1.9
105.07023	56.0
107.04953	9.1
107.08594	40.6
109.02883	6.8
109.06486	9.6
109.10153	34.9
111.04514	2.3
111.08110	4.0
115.05457	5.3
117.07016	33.3
119.08566	47.7
121.06516	4.5
121.10126	23.8
123.08063	8.2
123.11691	8.4
125.09623	8.8
127.03921	7.1
128.06223	7.1
129.05518	3.5
129.06993	22.2
130.07782	2.6
131.08568	37.0
133.06491	4.8
133.10114	33.5
134.10458	1.9
135.08052	5.9
135.11681	12.7
137.09618	5.0
137.13293	2.4
139.11182	3.2
141.06992	8.2
142.07773	6.1
143.08543	29.6
145.06461	2.4
145.10110	34.7
147.08057	4.8
147.11667	19.1
149.09598	8.8
149.13255	8.3
151.11198	2.4
153.07016	3.9
155.08551	15.9
156.09312	2.7
157.06413	2.9
157.10117	24.3
159.08038	4.4
159.11665	26.0
161.09595	5.6
161.13211	12.3
163.11183	4.6
165.06949	2.4
166.07787	1.9
166.81427	1.7
167.08545	8.6
168.09344	1.9
169.10124	18.1
171.07996	3.3
171.11662	19.5
172.81989	2.0
173.04492	7.1
173.09682	4.4
173.11751	5.5
173.13263	17.2
175.11223	1.9
175.14816	4.0
177.12654	2.5
179.08554	5.3
181.10095	10.4
183.11678	15.1
185.09608	4.3
185.13213	14.7
187.11217	3.8
187.14766	8.3
189.11197	5.1
193.10080	5.1
195.11676	12.5
196.12556	2.1
197.13242	12.7
199.11166	2.5
199.14877	10.4
201.12750	2.7
201.16412	2.7
203.57945	1.9
207.11719	5.3
209.13264	11.7
211.14841	8.4
213.12717	3.9
213.16415	4.5
215.14200	3.0
221.13351	6.1
222.14114	2.3
223.14786	7.2
225.16411	4.1
227.12663	4.2
227.18034	3.0
229.14268	10.9
232.05951	2.2
233.13243	2.7
235.14880	3.2
237.16354	5.5
239.17958	3.1
241.19507	5.9
247.20586	2.3
249.16606	3.2
253.19537	2.6
257.19034	5.4
259.20584	9.0
261.21948	2.4
273.18433	10.0
275.20120	14.7
279.21054	2.6
297.22162	2.2
309.21973	2.3
331.22632	1.9
333.24323	7.7
335.26129	10.4
336.26077	4.7
347.22629	3.0
349.23648	7.3
379.30008	3.3
395.28671	1.8
421.30881	2.9
435.32440	3.8
453.34161	2.1
489.35724	3.0
495.34656	3.0
513.35760	20.9
515.38196	7.7
525.35547	2.7
527.37372	13.0
533.39630	4.1
539.37280	3.0
543.36755	3.0
551.40936	5.8
557.38416	2.6
589.41876	2.6
607.43530	47.0
625.44543	91.2
626.45026	3.0
668.87061	2.0
689.41986	3.6
715.46643	2.0
733.45990	3.1
751.46991	2.6
769.48322	5.9
787.49982	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	787.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.4
55.05514	38.4
57.03441	13.4
57.07064	1.9
61.02917	6.5
65.03939	4.5
67.05508	62.1
67.32594	1.1
69.03426	8.4
69.07074	20.5
69.30573	10.0
71.04987	4.0
73.02901	3.0
75.32519	1.1
77.03883	1.4
78.30330	1.0
79.05496	56.8
81.03407	4.8
81.07059	66.0
83.04991	5.6
83.08626	14.8
85.02925	7.0
85.06538	2.9
86.61118	1.2
91.03966	2.7
91.05484	84.5
92.05861	1.3
93.07047	55.6
95.04971	12.1
95.08610	45.9
95.09093	0.8
95.09237	1.2
97.02894	4.7
97.06547	6.2
97.10169	11.3
99.04408	1.2
99.08063	2.4
103.05466	3.5
105.07034	57.3
107.04935	6.5
107.08601	30.5
109.02897	1.7
109.06516	11.6
109.10163	14.0
109.65605	1.3
111.08073	6.5
115.05425	9.0
116.06226	4.6
117.07026	43.4
119.04935	2.1
119.08581	35.9
121.06479	7.7
121.10159	17.5
123.08090	13.7
123.11709	3.6
125.09605	6.5
127.03863	1.9
128.06223	26.2
129.07008	29.2
130.07808	10.8
131.08572	82.4
133.06517	10.8
133.10133	22.0
135.08072	7.2
135.11714	10.1
137.09622	3.4
139.07622	1.4
139.11176	1.8
141.06998	11.4
141.09093	1.8
141.39847	1.0
142.06769	1.4
142.07771	6.5
143.08566	100.0
144.09003	1.3
144.74240	1.2
145.06488	5.2
145.10129	96.9
146.10437	2.0
147.08047	11.2
147.11681	8.2
149.09604	4.3
149.13248	6.1
151.07481	2.7
151.11208	2.2
153.07034	2.3
154.07777	2.0
155.08594	9.8
156.77225	1.1
157.10127	23.1
157.11325	2.0
159.08064	4.7
159.11697	23.3
161.09595	13.7
161.13260	4.6
163.11160	6.5
163.14795	1.6
165.07004	2.7
165.09229	1.4
165.12781	1.5
166.07887	2.2
167.08566	4.2
168.09373	1.7
169.10138	17.6
171.08023	2.6
171.11694	19.5
173.04509	1.2
173.09669	4.0
173.13275	6.2
175.11185	8.7
175.14859	1.8
177.12755	5.8
179.08498	1.9
180.09341	2.8
181.10136	12.7
183.11703	13.1
185.09607	2.4
185.13237	8.6
185.80319	1.1
187.11179	4.0
187.14850	2.7
189.11201	2.9
189.12822	2.2
195.11719	22.2
197.13445	2.4
199.11194	3.4
199.14876	3.0
201.12773	2.6
203.10712	1.4
207.11664	1.3
209.13257	4.9
211.14835	3.9
213.12698	3.7
213.16385	2.0
227.18019	6.9
231.13834	2.7
237.16382	27.4
241.14272	3.8
245.19037	4.9
248.00818	1.2
255.17467	31.2
257.19016	1.3
261.22192	5.1
273.18503	80.5
274.18906	2.0
275.20404	1.5
291.19580	6.5
329.21167	7.9
335.25812	91.1
336.26312	1.9
347.22174	42.0
348.22403	2.2
384.47461	1.4
607.43536	54.9
607.53394	2.7
608.43494	3.8
625.44458	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
55.05514	28.7
56.04451	1.2
57.03439	9.8
57.07065	2.0
61.02927	5.8
61.03192	1.1
65.03944	3.0
67.05506	59.2
69.03452	6.7
69.07069	16.2
69.30589	9.6
69.30997	2.2
70.00356	1.0
71.04991	4.5
73.02928	2.1
79.05495	49.9
81.03414	5.1
81.07057	63.1
83.04987	5.9
83.08606	9.5
85.02920	5.6
85.06550	2.3
87.50983	1.1
91.03950	2.3
91.05482	56.6
93.07045	47.0
95.04970	11.0
95.08610	41.1
97.02886	5.2
97.06535	6.2
97.10175	5.4
99.08070	1.4
103.05455	2.9
105.07030	44.2
107.04955	4.5
107.07883	1.5
107.08593	26.6
109.06515	7.8
109.10152	14.3
111.08090	4.5
115.05470	5.3
116.06237	3.3
117.07020	31.5
119.04948	1.6
119.08583	25.1
119.74837	1.3
121.06534	4.2
121.10142	16.6
123.08036	5.6
123.11681	3.2
125.05920	1.3
125.09632	1.3
128.06226	17.1
129.07008	19.9
130.07814	6.6
131.08568	50.9
133.06500	7.7
133.10132	18.0
135.08058	4.3
135.11694	8.4
137.09642	2.2
137.13251	1.2
139.11150	1.6
141.06999	6.6
142.07803	4.6
143.08562	51.8
144.09349	1.3
145.06485	4.3
145.10117	54.3
147.08067	8.4
147.11678	10.2
149.09630	4.4
149.13243	4.9
151.11140	1.5
153.07039	1.5
154.07776	1.4
155.08546	5.7
157.10130	19.1
157.11320	1.7
159.08080	4.2
159.11694	19.5
161.09608	12.0
161.13289	4.0
163.11142	5.5
165.07007	2.4
167.08565	2.8
169.10135	12.2
171.08046	2.7
171.11674	10.8
173.09624	4.1
173.13263	4.8
175.11226	6.4
177.12761	3.9
179.10841	1.3
181.10158	7.9
183.11681	7.5
185.09695	1.6
185.13280	6.9
187.11269	2.5
195.11681	12.9
197.13239	3.2
199.11203	2.0
199.14957	3.2
201.12848	2.5
203.10716	1.4
209.13260	4.3
211.14783	2.5
213.12712	3.2
221.23349	1.0
227.17958	5.0
231.13834	1.6
237.16408	13.5
245.19008	5.2
255.17467	19.4
257.18994	2.1
259.20599	1.5
261.22192	5.2
273.18506	61.4
291.19611	3.7
311.19543	1.2
329.21088	5.1
333.24234	2.2
335.25800	100.0
336.26199	2.7
347.22162	28.4
496.10062	1.4
533.39880	1.4
607.43591	42.1
608.43787	1.7
625.44781	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	787.2077
Annotation	Petunoside
Peak:m/z	Relative Intensity
55.01868	0.1
55.05528	0.1
57.03430	0.2
61.02926	0.2
65.03946	0.7
67.01866	0.4
67.05508	0.1
68.99783	0.7
69.03426	1.0
70.22063	0.3
71.05003	0.2
73.02916	0.2
81.03416	1.5
81.07055	0.2
83.04982	0.2
84.08109	0.1
85.02908	1.3
87.00830	0.3
89.03928	0.2
91.05479	14.5
91.30205	0.1
92.05800	0.1
93.07059	0.1
95.04969	0.2
95.08614	0.1
97.02893	1.3
98.20843	0.1
99.04452	0.4
103.03947	0.1
105.01851	0.1
105.07041	0.2
107.04949	0.2
107.08545	0.1
109.02874	3.0
111.04440	0.3
117.03424	0.1
119.04927	0.2
119.08562	0.1
121.02922	0.1
121.10181	0.1
123.04427	0.2
125.02354	0.5
127.03917	2.5
129.01828	0.2
129.05525	0.1
135.04408	1.6
137.02328	0.8
137.05954	0.2
141.01785	0.2
143.05641	1.2
145.02837	0.1
145.04985	0.4
147.04411	0.3
149.18849	0.1
151.03897	0.2
151.07610	0.1
153.01819	4.1
159.02937	0.1
161.02318	0.8
161.05959	0.2
163.03944	0.1
165.01855	0.2
167.06999	0.5
171.02904	1.5
171.04314	0.1
175.03949	0.2
177.05464	0.2
179.03400	0.3
179.07008	0.1
181.04918	0.1
183.02849	0.2
185.05946	0.1
189.05382	0.2
193.05025	0.1
195.02928	0.2
201.05469	0.1
203.03412	0.2
205.04921	0.2
207.06456	0.4
213.03922	0.6
213.05583	0.1
217.04956	0.2
219.06538	0.1
231.04816	0.5
235.05934	0.2
241.04924	0.6
245.04460	0.1
258.05151	0.1
259.06183	0.1
263.05460	0.1
269.04379	0.4
271.05881	0.1
273.05997	0.1
283.05859	0.1
286.04761	0.2
287.05484	100.0
288.05798	1.7
299.05496	1.5
300.06213	0.1
301.07129	0.3
311.05362	0.3
313.03400	0.4
313.07135	0.3
321.06070	0.2
323.05331	0.1
325.07089	0.2
329.06528	2.0
337.07101	0.1
339.07346	0.3
341.06677	0.1
349.07043	0.3
353.06418	0.5
357.08112	0.3
375.09396	0.1
377.10263	4.6
378.10358	0.1
395.07559	1.1
413.08527	0.1
419.06906	0.1
449.10788	0.7
481.07605	0.2
499.08612	0.2
517.09595	0.6
535.10712	0.3
541.10052	0.1
559.10657	0.1
577.11664	0.4
589.09338	0.2
607.10931	0.7
625.11688	0.9
643.12891	1.1
661.14087	1.6
679.15100	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
55.05510	0.1
57.03431	0.2
61.02931	0.2
62.01556	0.1
63.02369	0.1
65.03945	0.7
67.01865	0.5
67.05502	0.1
68.99440	0.1
68.99791	0.7
69.00124	0.1
69.03427	1.2
69.07076	0.1
70.06573	0.1
70.27611	0.1
71.04996	0.2
73.02909	0.1
79.05483	0.2
81.03417	1.8
81.07066	0.2
81.60809	0.0
83.01330	0.1
83.04973	0.2
85.02409	0.1
85.02901	1.3
87.00836	0.3
87.06733	0.0
89.03928	0.2
91.05480	15.6
92.05787	0.1
93.07047	0.2
95.01318	0.1
95.04969	0.2
95.08614	0.1
97.02894	1.6
97.06528	0.1
99.04461	0.4
103.05434	0.1
105.01855	0.2
105.07048	0.2
107.04957	0.2
107.08612	0.1
109.02876	3.1
109.06509	0.1
109.10161	0.1
111.00844	0.1
111.04456	0.4
115.03973	0.1
115.05531	0.1
117.03384	0.2
117.07059	0.1
119.04941	0.2
119.08594	0.1
121.02846	0.1
121.06456	0.1
121.10133	0.1
123.04431	0.2
123.08041	0.1
125.02345	0.3
127.03917	2.3
129.01846	0.4
129.05492	0.1
129.07019	0.1
131.04968	0.1
131.08591	0.1
133.02861	0.1
135.04420	1.7
135.11710	0.1
137.02333	0.7
137.05971	0.3
139.03860	0.1
141.01825	0.3
143.05643	1.3
145.02834	0.2
145.04959	0.5
145.06067	0.1
147.02881	0.2
147.04382	0.3
149.02309	0.1
149.05991	0.1
149.09589	0.1
151.03918	0.2
151.07401	0.1
153.01826	4.4
157.06421	0.1
159.02916	0.2
161.02318	0.8
161.05963	0.1
162.03224	0.1
163.03905	0.2
165.01833	0.2
165.05473	0.1
167.07002	0.5
171.02899	1.5
171.04390	0.1
173.09615	0.1
175.03900	0.3
177.05507	0.4
177.37039	0.1
179.03377	0.4
179.07037	0.1
181.04919	0.1
183.02911	0.1
185.05910	0.1
189.05478	0.1
193.04980	0.1
193.08655	0.1
195.02922	0.2
197.00784	0.1
201.05539	0.1
203.03395	0.2
205.04976	0.1
207.06548	0.4
213.03934	0.6
213.05577	0.1
217.05000	0.1
218.05696	0.1
219.06525	0.2
227.03499	0.1
231.04878	0.5
235.05972	0.2
241.04951	0.7
245.04427	0.1
253.07309	0.1
258.05264	0.1
259.06116	0.1
263.05499	0.1
269.04434	0.4
270.04868	0.1
271.06027	0.2
273.06125	0.1
281.04544	0.1
283.05954	0.1
286.04614	0.3
287.05487	100.0
288.05795	1.4
295.06064	0.1
299.05524	1.2
300.06317	0.1
301.07040	0.4
311.05423	0.3
313.03375	0.3
313.07043	0.4
314.04083	0.1
321.05936	0.1
321.07803	0.1
323.05627	0.1
325.06979	0.3
327.05029	0.1
329.06561	2.3
337.06943	0.2
339.07391	0.2
341.06482	0.1
349.07071	0.2
353.06555	0.5
357.08185	0.3
365.06485	0.1
367.08075	0.1
375.09396	0.2
377.06711	0.4
377.10269	4.6
379.08057	0.1
395.07651	1.0
401.16238	0.1
413.08752	0.2
437.08548	0.1
449.10825	0.6
479.13519	0.1
481.07501	0.1
485.08875	0.1
499.08401	0.2
503.09747	0.1
517.09692	0.7
535.10205	0.4
553.16180	0.1
577.11688	0.3
589.09186	0.2
607.10583	0.7
625.11859	0.8
643.12830	1.2
661.13947	1.8
679.15094	1.8
801.34985	0.1
803.91895	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	786.5
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
55.05264	1.4
55.05512	16.7
57.03438	15.8
57.07063	2.0
59.04993	3.1
59.69689	0.8
59.89994	0.9
61.02912	3.0
62.11952	0.8
62.49960	0.8
65.03938	4.2
67.05506	100.0
68.05814	1.3
69.03419	3.3
69.06726	1.2
69.07068	15.1
71.05001	5.3
71.08625	1.0
73.02887	1.1
79.05494	41.9
80.05820	1.1
81.03422	10.8
81.07059	60.1
82.07394	1.3
83.04984	4.9
83.08614	9.6
84.48784	0.8
85.02906	9.1
85.06538	2.6
85.74099	0.8
87.04498	1.4
89.86581	0.8
91.03949	1.3
91.05483	28.6
91.22687	0.8
92.05812	1.0
93.07043	43.3
95.04972	10.8
95.08610	41.1
97.02885	4.4
97.06535	7.0
97.10170	3.3
99.04467	1.1
99.08083	1.3
101.06019	0.8
105.07036	18.9
107.04957	8.6
107.08595	25.6
109.02887	1.4
109.06543	7.5
109.10159	62.9
110.10491	1.4
111.04446	1.1
111.08086	4.9
113.06030	1.4
115.05430	1.3
117.07012	12.4
119.07792	1.5
119.08585	16.7
121.06522	5.6
121.09316	1.5
121.10138	18.4
123.04421	1.7
123.08057	3.7
123.11716	4.5
125.09633	2.7
127.03895	0.9
129.06996	3.6
130.07773	1.0
131.08565	16.8
132.08920	1.5
133.06425	1.1
133.10123	12.9
135.08078	2.8
135.11700	11.4
137.09607	3.1
139.11133	1.4
141.06995	3.6
143.08554	3.8
145.10120	11.6
146.10699	1.0
147.08055	1.0
147.11671	6.1
149.09662	1.4
149.13243	6.7
154.63712	0.9
155.10626	2.3
157.10124	3.0
159.11685	10.7
161.09625	1.8
161.13301	4.1
163.11150	1.3
163.14847	4.5
169.10138	3.7
171.11732	2.2
173.11734	16.7
173.13264	5.7
175.14894	1.5
177.12712	1.8
177.16364	1.0
179.10643	1.8
179.14314	1.3
183.11714	2.1
185.13240	1.6
187.11154	2.9
187.14906	2.0
189.11235	2.3
199.14728	1.5
201.16377	1.0
205.12236	2.4
211.14807	1.0
223.13275	12.1
227.12811	5.1
227.20079	1.5
229.14357	72.2
230.14610	1.0
243.20998	4.8
259.20670	1.9
261.22147	18.1
275.20215	4.5
279.15945	3.5
279.23376	1.2
291.19525	1.2
297.16965	23.0
315.23154	1.1
317.24689	3.3
329.24786	1.1
333.24362	1.8
335.25803	88.2
336.26227	3.2
349.23682	2.1
397.30981	1.6
437.34070	1.2
447.32251	1.1
483.34659	1.6
489.35773	37.4
490.35910	1.9
507.36768	1.8
539.37299	2.9
552.19067	1.0
557.38367	15.5
558.38428	1.6
560.88080	1.0
575.39282	4.0
607.43384	2.2
625.44391	2.6
786.50793	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	785.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	15.5
55.05516	43.7
56.81807	3.4
57.03441	37.7
57.07067	4.7
61.02941	18.9
62.50708	3.6
65.03919	6.7
67.05506	93.6
69.03431	35.1
69.07076	34.5
71.05001	21.9
71.60429	6.1
71.60799	4.5
73.02900	14.6
79.05495	83.7
81.03427	41.2
81.07058	97.6
83.04968	10.5
83.08620	20.8
85.02914	29.2
85.06543	11.5
89.06013	6.4
91.03945	4.1
91.05480	82.2
91.06017	7.9
93.07045	78.9
95.04973	29.5
95.08612	61.3
97.02890	32.8
97.06520	21.2
97.10168	10.6
99.04469	10.0
99.08089	12.4
101.02384	3.4
105.07037	73.9
107.04959	13.3
107.08618	40.6
109.02879	14.3
109.06525	43.7
109.10162	30.3
111.04495	7.2
111.08086	9.8
113.05984	5.8
115.05447	10.4
117.07013	48.4
119.08586	53.7
121.06544	8.8
121.10149	25.0
123.08090	12.1
123.11723	4.2
125.09641	9.7
127.03902	15.3
128.06229	10.1
129.07025	34.8
130.07851	4.4
130.55176	3.5
131.08562	48.4
133.06462	3.7
133.10153	38.3
135.08069	16.9
135.11707	10.9
137.09615	4.6
141.06973	23.2
142.07777	5.6
143.08577	35.0
145.06454	6.4
145.10115	44.5
147.08109	8.2
147.11682	17.9
149.09608	13.5
149.13272	8.2
151.07544	4.9
151.11250	4.6
153.07068	5.2
155.08575	31.7
157.10130	31.3
159.08067	14.8
159.11691	36.1
161.09621	14.8
161.13264	13.5
163.11221	8.2
165.07079	5.5
167.08560	13.9
168.09267	3.5
169.10130	26.5
171.08089	3.8
171.11659	22.6
172.12389	4.9
173.04401	7.5
173.09630	12.6
173.13225	19.5
175.11168	8.7
177.12732	6.7
179.07141	4.2
179.08617	11.6
181.10135	22.8
183.08032	4.6
183.11697	23.6
185.09692	5.7
185.13257	18.4
187.11163	6.1
187.14847	6.2
189.12788	6.1
193.10132	12.7
195.11713	16.4
197.09631	5.4
197.13280	15.3
199.11194	5.8
199.14792	6.7
203.14369	6.4
205.10112	8.8
206.10971	4.1
207.11732	13.7
209.13248	14.4
211.14867	12.6
213.12810	3.7
213.16269	4.7
215.09155	4.9
217.10197	4.0
217.15831	4.7
219.11761	5.2
219.17473	4.3
221.13235	10.6
223.14867	10.2
225.16434	6.2
233.13277	7.5
235.11258	3.8
235.14769	8.7
237.16388	8.6
239.17982	6.8
245.13387	5.3
247.14774	4.7
249.16473	8.8
255.17342	8.9
257.19067	15.1
259.14716	4.2
259.20624	5.1
261.16388	5.1
263.18076	4.7
273.18555	10.8
275.20117	31.6
291.19626	4.3
323.20178	4.1
324.11707	5.2
325.21521	6.1
349.23752	12.3
403.26102	4.0
403.86676	3.7
498.44604	4.1
513.37512	4.7
527.36890	7.4
531.38531	8.0
533.35559	4.4
539.37402	4.0
549.39996	8.1
551.37268	20.4
553.38745	10.6
565.38959	4.0
587.40479	5.3
605.42303	34.4
623.43091	100.0
665.43445	4.3
713.42957	6.6
749.45526	4.8
767.47003	15.8
785.36169	3.6
785.48352	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88221	2.3
55.01856	11.8
55.05273	4.4
55.05515	63.4
57.03444	13.9
57.07057	4.1
61.02916	14.5
64.08676	2.3
65.03929	3.6
67.05508	70.7
69.03429	25.6
69.07065	33.8
71.04994	6.6
71.60574	4.1
73.02907	7.2
79.05496	64.9
80.06264	2.3
81.03419	25.3
81.07062	69.9
83.04995	14.7
83.08616	27.4
85.02911	19.3
85.06528	3.5
91.03928	7.2
91.05482	66.1
93.06477	4.4
93.07046	59.7
95.04974	20.1
95.08617	45.9
97.02883	19.3
97.06518	6.9
97.10175	36.4
103.05463	2.3
105.07024	51.0
107.04925	10.3
107.08597	34.9
109.02849	7.9
109.06511	7.1
109.10172	27.1
111.08099	4.8
115.05439	6.7
117.07024	32.2
119.08588	40.2
121.06481	7.1
121.10158	21.1
123.08080	6.2
123.11734	6.0
125.09635	27.3
127.03880	4.3
128.06239	6.3
129.07004	31.3
131.04961	3.3
131.08578	35.3
133.06459	4.7
133.10132	23.4
135.08043	10.2
135.11685	13.4
137.09641	4.6
141.06984	13.8
142.07765	8.5
143.08566	24.6
145.06471	13.9
145.10129	30.0
147.08070	8.1
147.11690	15.1
149.09633	5.6
149.13313	4.0
151.11108	3.7
153.06952	6.2
153.09065	3.6
154.07742	3.5
155.08543	23.9
157.10152	25.1
159.08067	4.0
159.11687	21.2
161.09636	6.1
161.13248	7.0
163.11156	3.7
163.14778	3.2
166.07785	3.7
167.08545	12.2
169.10132	24.2
171.08133	2.9
171.10349	4.5
171.11659	20.4
173.04446	8.1
173.09587	5.0
173.13274	12.6
175.11162	4.4
175.14749	2.9
179.08537	5.7
180.09337	3.4
181.10146	14.0
183.08093	3.3
183.11678	22.1
185.09622	4.1
185.13246	9.7
187.11189	3.7
189.11308	12.3
189.12746	3.3
191.08469	3.1
193.10210	4.4
195.11725	13.6
197.13286	17.2
199.11252	2.9
199.14871	4.8
207.11711	7.2
209.13248	10.3
209.15126	2.8
211.11171	4.6
211.14885	6.3
213.12714	3.9
221.13293	4.1
223.14970	6.3
225.16286	5.9
227.12782	22.9
235.14771	5.8
239.14333	3.4
239.17928	7.5
247.14726	3.0
251.18179	3.3
253.19461	3.2
257.19019	5.7
259.20566	7.1
271.16928	15.0
271.20526	3.2
273.18512	7.9
275.20084	15.4
291.19504	15.3
309.22183	4.0
333.24200	4.5
335.25809	11.0
339.23236	3.5
345.20590	5.5
351.99176	3.0
365.23587	4.6
379.29953	15.9
513.36841	4.4
531.38226	7.3
541.35437	4.2
554.35858	5.5
595.43018	4.7
605.41827	42.0
623.43073	100.0
624.43500	6.6
749.45947	6.2
767.46991	9.1
785.48267	32.7
812.68500	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	785.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	16.2
55.05513	39.6
57.03437	19.7
57.07077	3.2
61.02930	13.4
65.03949	6.5
67.05508	88.6
69.03432	28.3
69.07069	39.4
71.04987	9.7
71.60229	3.5
73.02930	5.9
79.05494	84.9
80.11768	2.3
81.03422	55.3
81.07057	96.1
83.04987	18.5
83.08625	17.7
85.02896	21.0
85.06531	6.4
89.06033	3.6
91.03953	6.4
91.05484	100.0
93.07045	77.1
95.04977	17.4
95.08610	62.0
97.02888	23.1
97.06538	20.8
97.10183	10.2
99.04446	8.2
99.08108	4.8
103.05516	3.6
104.06223	2.7
105.07029	76.0
107.04960	17.5
107.08600	50.4
109.02885	13.2
109.06522	18.6
109.10159	29.6
111.04458	9.4
111.08106	6.1
115.05466	11.0
116.06248	4.1
117.07034	35.6
119.04929	3.1
119.08581	68.1
121.06503	9.0
121.10153	25.0
123.08078	9.8
123.11733	9.3
125.09619	12.1
127.03922	11.9
128.06227	11.9
129.05490	4.1
129.07005	19.3
131.08574	50.8
131.16365	3.0
133.06496	9.7
133.08621	3.3
133.10146	47.8
135.08073	12.0
135.11685	12.1
137.09604	6.5
141.07013	7.9
142.07750	5.8
143.08571	24.8
145.04961	4.0
145.06499	8.2
145.10123	54.5
147.08061	9.4
147.11696	32.0
149.09602	15.7
149.13286	10.4
151.11201	4.3
153.06956	4.1
155.08522	16.9
157.06371	2.8
157.10112	24.4
159.08041	9.5
159.11690	30.5
161.09645	7.1
161.13269	9.7
163.11176	12.6
165.07051	4.7
165.12730	3.7
166.07875	4.1
167.08591	10.1
168.09375	5.0
169.10112	22.8
171.11676	19.8
173.04488	18.6
173.09703	6.5
173.11832	4.5
173.13266	12.3
175.11221	5.9
175.14857	5.7
177.12756	6.9
179.08588	5.8
179.14270	3.0
181.10121	13.9
183.11688	15.0
185.09593	5.5
185.13277	12.2
187.11200	10.3
187.14873	5.5
189.12779	4.1
193.10075	6.5
193.12354	3.6
195.11743	14.2
195.13408	2.6
197.13234	11.6
199.11160	4.9
199.14850	3.0
201.12727	3.2
205.10275	3.6
207.11795	5.8
209.13300	7.7
211.11243	4.0
211.14883	5.5
213.16446	5.4
213.26364	2.8
215.14415	5.0
219.11624	3.1
221.13330	3.3
223.14944	4.4
225.12895	4.6
227.12646	3.5
227.17891	3.7
227.20035	6.9
229.19620	3.9
233.13257	3.1
235.11185	4.1
239.18040	5.4
243.17601	3.3
247.20648	4.9
249.16386	3.5
255.17516	6.7
257.19028	13.6
259.20605	7.1
273.18451	15.2
275.20105	62.1
293.21152	3.6
331.22885	3.8
333.24185	12.7
335.26089	3.7
341.21146	2.8
345.61203	3.1
347.22360	3.8
349.23795	25.0
365.21014	5.2
419.24066	4.0
493.28000	4.0
513.37317	5.9
525.36377	3.4
531.38135	9.7
543.36609	4.5
549.39301	11.4
595.43036	4.7
605.42053	49.7
623.42981	59.4
641.44452	4.1
669.38959	3.6
687.41010	6.7
749.45593	4.3
767.46796	8.8
785.48456	27.1
805.51941	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.4
55.05511	10.4
57.03436	5.7
57.07054	0.6
58.85505	0.5
59.04985	0.7
61.02605	0.6
61.02925	23.8
65.03930	2.2
67.05502	24.4
69.03427	7.9
69.07072	7.7
69.35347	6.1
71.01358	0.8
71.04998	3.8
73.02914	7.0
75.21899	0.6
77.03963	0.6
79.05489	19.8
79.05958	0.9
81.03412	5.8
81.07056	23.1
83.04976	3.7
83.08615	6.6
85.02902	27.5
85.06529	2.4
87.04458	1.0
91.03953	14.2
91.05475	28.8
93.07040	22.5
94.07370	0.6
95.04972	5.6
95.08603	14.4
97.02280	1.1
97.02888	18.0
97.06535	4.6
97.10175	3.1
98.65424	0.5
99.04453	2.9
99.08108	1.1
101.02348	1.0
103.05482	1.7
105.04516	0.7
105.07026	21.9
107.04963	4.2
107.08584	10.9
109.02887	2.7
109.06490	3.6
109.10134	6.0
111.08091	2.6
115.03946	1.7
115.05448	2.5
117.05399	0.7
117.07014	17.9
119.04945	2.5
119.08575	11.4
121.02880	0.6
121.06510	4.5
121.10148	5.2
123.04414	1.2
123.08066	3.0
123.11697	1.3
125.05970	1.1
125.09616	1.4
127.03915	7.2
128.06218	4.8
129.05508	0.9
129.06998	18.8
130.07816	0.5
131.04924	1.3
131.08563	24.7
133.06451	4.2
133.10139	9.1
135.04385	1.0
135.08038	2.8
135.11664	3.3
137.05934	1.1
137.09567	1.3
139.07581	0.6
139.11140	1.3
141.06976	9.6
141.07982	0.9
142.07777	2.5
143.05644	1.3
143.06924	1.4
143.08549	18.0
145.02864	1.0
145.05008	3.5
145.06470	5.5
145.10127	14.2
147.08032	5.9
147.11656	4.9
149.09604	3.6
149.13287	1.2
151.11137	1.4
153.07007	2.1
154.05046	0.7
154.07759	1.7
155.08554	13.0
156.09280	0.7
157.06496	2.2
157.10117	12.0
159.08031	4.6
159.11696	9.5
161.09633	2.7
161.13293	1.4
163.06030	3.3
163.07353	0.7
163.11172	2.5
165.07005	2.4
166.07802	1.0
167.07047	1.9
167.08580	7.3
168.09227	1.6
169.10114	9.6
171.08032	3.5
171.11684	6.7
173.05898	0.6
173.09642	2.8
173.11864	1.0
173.13307	2.0
175.03876	1.3
175.11153	3.7
175.14813	0.8
177.05486	2.3
177.09184	0.6
177.12764	2.8
178.07758	0.8
179.08527	3.9
180.09280	0.8
181.08630	1.0
181.10117	8.4
183.08028	1.2
183.11702	7.1
185.09648	2.3
185.13213	4.9
187.07573	0.7
187.11214	5.2
187.14815	1.5
189.12717	1.5
191.10680	2.0
193.08592	0.7
193.10143	2.8
193.12001	0.8
195.11716	7.1
195.13474	0.9
197.09622	2.1
197.13266	4.7
199.11234	1.7
199.14828	2.3
201.12793	1.5
203.10678	0.8
203.14322	1.8
203.81908	0.6
205.10345	1.3
205.12288	2.8
206.10934	1.1
207.06548	1.6
207.11777	3.6
207.13649	0.9
209.13350	4.8
211.11156	1.9
211.14842	3.4
213.09132	1.0
213.12735	1.9
213.16425	0.8
215.06792	0.6
215.10709	1.6
215.14339	2.7
217.15785	0.8
219.11705	1.3
219.13705	0.8
221.13333	4.9
223.14864	5.4
225.12758	2.1
225.16333	1.4
227.14227	1.7
229.16061	1.2
231.13815	1.2
231.17476	0.9
233.11537	1.2
235.14880	3.2
237.16406	1.4
239.14357	3.8
241.15935	1.5
243.13730	1.4
243.17624	0.7
245.13258	0.8
247.14890	0.9
251.14471	1.0
253.15932	2.6
255.13742	0.7
257.15366	3.2
267.17645	1.1
269.15637	1.3
271.16879	3.6
281.15558	0.8
283.16922	1.0
285.18549	1.0
287.05527	10.4
288.05630	0.6
299.19800	0.7
305.22729	1.3
315.21021	1.3
323.23712	3.1
333.22159	8.8
341.24716	3.1
351.23178	26.2
352.23407	0.7
369.24219	18.3
387.25281	12.0
389.25012	0.7
405.25806	0.7
407.25717	1.4
415.28766	1.4
425.26755	5.7
433.29477	1.1
443.27930	100.0
444.28339	3.2
455.27637	0.8
461.28970	50.7
462.29428	1.1
473.28986	0.7
485.28729	1.7
495.27194	0.9
499.18021	1.1
503.29776	2.0
551.29773	1.5
569.30499	1.6
587.32050	2.2
605.33051	3.1
618.02411	0.7
623.34314	3.5
688.68414	0.6
785.29742	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
63.19790	0.3
65.03931	1.0
67.05492	0.5
67.81923	0.3
69.03075	0.5
69.03428	8.1
70.06586	0.3
71.04979	1.6
71.59639	0.5
72.53122	0.3
73.68980	0.3
75.32426	0.3
77.03925	0.4
78.04712	0.3
81.03404	0.9
85.02899	0.9
87.06716	4.1
89.03920	0.4
91.05479	15.6
93.95991	0.3
95.04963	0.5
97.02878	1.4
99.04510	0.3
103.05437	0.6
105.03400	0.5
105.07017	0.4
107.04945	0.4
109.02861	0.8
113.06010	1.4
118.04171	0.4
119.04940	28.7
122.03559	0.3
123.04446	0.4
126.02991	0.5
127.03903	3.1
129.03369	0.5
131.04915	0.8
132.00244	0.3
132.02098	0.4
133.02849	0.4
133.06458	0.3
135.04422	0.5
136.05194	0.4
137.05940	0.4
141.04051	0.6
143.05635	98.7
144.05916	0.4
145.02844	0.6
145.06483	0.5
147.04402	25.2
149.02356	0.6
157.03947	2.0
161.06041	0.5
164.04712	0.7
167.07014	3.2
168.07350	0.6
175.03902	50.8
176.04382	0.3
177.05531	0.7
179.03403	0.6
179.06992	2.1
189.05267	0.4
192.04199	0.7
193.08653	0.4
207.06520	100.0
208.06819	1.0
219.06549	1.1
225.07449	0.6
235.06033	0.6
245.08154	0.3
261.07535	0.5
263.09152	0.4
279.89865	0.3
287.05685	0.3
291.08591	1.3
305.10861	0.5
331.07993	0.5
351.06235	0.5
351.10709	10.6
369.11804	40.7
370.11948	0.7
395.30170	0.3
417.16183	7.9
481.17020	0.3
570.61328	0.3
579.21289	1.2
605.42493	0.3
785.26349	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.1
55.05508	12.6
56.96550	0.8
57.03432	5.4
57.07052	0.8
59.04972	0.7
61.02609	0.8
61.02925	23.9
65.03938	1.6
67.05504	24.7
69.03430	7.7
69.07070	8.3
70.01273	3.6
71.04971	2.4
73.02924	7.3
73.06567	0.6
79.05490	21.3
81.03403	5.2
81.06579	1.3
81.07056	25.0
83.04990	3.2
83.08610	7.8
85.02901	25.7
85.06517	2.0
87.04469	1.1
91.03951	15.9
91.05475	30.4
93.06474	1.4
93.07041	23.1
95.04952	5.3
95.08602	16.2
95.76045	0.7
97.02892	15.0
97.06525	4.9
97.10153	3.1
99.04453	2.2
99.08054	0.8
101.02384	1.3
103.05440	1.6
105.03423	0.7
105.07024	22.5
107.04957	5.1
107.08590	10.2
109.02860	2.3
109.06519	3.9
109.10158	6.6
111.04438	1.4
111.08076	3.0
113.05979	0.7
115.03930	1.9
115.05435	4.4
116.06291	0.7
117.06216	1.4
117.07011	19.2
119.04916	1.8
119.08577	14.3
121.06513	4.5
121.10126	6.4
121.56985	0.7
123.04467	1.5
123.08086	4.5
123.11710	1.4
125.09617	1.5
127.03925	8.1
128.06207	6.6
129.07001	24.0
130.07750	1.2
131.04916	1.9
131.08563	29.4
133.06491	4.8
133.10135	10.9
135.08095	3.4
135.11711	3.8
137.06012	1.2
137.09622	2.0
139.11194	0.9
141.06978	11.1
142.07768	2.1
143.05679	1.1
143.08557	19.6
145.02841	0.7
145.04971	4.7
145.06479	7.5
145.10117	14.7
147.04391	1.2
147.08038	4.1
147.11647	4.0
149.06088	0.8
149.09622	4.1
149.13235	2.0
151.11148	1.6
153.07004	2.3
154.07755	1.5
155.08545	17.5
156.09264	1.0
157.06454	2.5
157.10127	12.5
159.08023	2.8
159.11674	9.1
161.05971	0.9
161.09602	2.7
161.13258	2.3
163.03908	1.1
163.06044	2.6
163.11151	2.8
165.07016	2.4
165.12715	1.0
166.07771	1.5
167.07063	2.2
167.08568	6.0
168.09360	1.3
169.10104	10.5
171.08066	4.0
171.11688	7.7
173.09521	3.1
173.11903	0.7
173.13249	2.5
175.03889	0.8
175.11179	2.8
175.14807	0.9
177.05458	1.6
177.12708	3.1
178.07742	0.9
179.08562	3.8
180.09282	1.5
181.06578	0.8
181.10120	9.8
183.08080	1.7
183.11693	7.9
185.09654	2.3
185.13219	5.3
187.07416	0.9
187.11208	1.8
187.14848	1.4
189.09241	0.7
189.12776	1.7
191.08591	1.0
191.14259	0.9
192.09370	0.9
193.10222	3.9
193.11942	0.9
195.11699	9.5
195.13440	1.1
197.09534	1.5
197.13255	6.4
199.11232	2.1
199.14879	3.0
201.12712	2.4
201.16539	0.9
203.14384	2.2
205.10190	1.1
206.10902	1.1
207.06508	1.3
207.11705	4.8
209.13275	5.1
211.11198	2.3
211.14845	3.8
213.12866	3.2
213.16440	1.3
215.14368	3.7
217.12253	0.8
217.15891	1.2
219.11853	1.2
221.13228	6.4
223.14874	5.2
225.12817	2.0
225.16454	2.5
227.14467	1.5
229.16013	1.5
233.13254	1.6
233.15338	1.0
235.14977	3.3
237.12833	0.9
237.16470	1.5
239.14252	3.7
241.16006	1.1
243.17508	0.8
245.15379	1.0
247.14874	1.2
249.16505	1.9
253.15923	2.2
255.17566	0.7
257.15323	3.4
259.16953	1.2
261.18781	0.8
263.14224	0.7
267.17535	0.9
271.16995	3.9
285.18518	1.8
287.05478	2.6
305.22647	1.8
315.21143	0.8
323.23737	4.6
333.22061	10.5
341.24634	5.1
351.23145	31.8
359.25903	0.8
369.24228	25.7
387.25275	13.2
405.26749	0.9
407.25854	1.0
415.28513	1.5
425.26715	8.5
430.45871	0.7
433.29227	1.2
443.27927	100.0
444.28204	2.6
453.50690	0.7
459.25870	1.0
461.28973	68.6
462.29437	1.7
467.27658	0.9
473.29083	1.3
485.28781	2.4
495.27234	1.0
503.30103	2.2
527.29877	0.9
551.29523	1.3
569.31195	1.6
587.32220	2.2
605.33569	3.7
623.33649	3.7
641.13434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.1
57.03434	0.3
58.93967	0.1
63.65681	0.1
67.05486	0.1
69.03428	0.6
69.07072	0.2
70.06601	0.3
70.28039	0.4
71.04968	0.3
73.45469	0.1
79.05470	0.4
81.03413	0.6
81.07066	0.6
83.02467	0.1
85.02899	0.4
87.06709	3.8
88.12465	0.1
88.36362	0.1
91.05484	0.3
93.07034	0.9
95.04980	0.3
95.08568	0.1
97.02882	0.3
97.06521	0.2
99.04436	0.3
101.03463	0.2
105.07045	0.8
107.08601	0.9
109.02905	0.2
109.06509	0.4
111.08019	0.1
113.04620	0.2
117.05489	0.8
119.08601	0.2
120.08126	0.2
121.06505	0.5
121.10139	0.9
125.04576	0.2
126.03041	0.3
127.03925	0.4
133.10101	0.1
135.08076	0.3
137.05992	0.2
140.07037	0.1
140.83351	0.2
141.04054	0.5
142.04890	0.3
143.05638	100.0
144.05992	0.1
145.02847	0.1
145.10098	0.7
147.04401	0.2
149.09618	0.5
151.02895	0.1
163.11188	1.6
167.07033	0.2
167.10707	0.8
173.09584	0.2
177.05453	0.3
181.12190	0.2
185.06702	0.4
191.10704	1.0
207.06577	0.3
209.11768	0.2
227.12787	0.3
233.06741	0.2
283.15427	0.9
305.10950	0.4
353.16000	0.3
409.18195	0.2
427.19354	0.3
445.20718	0.4
511.37460	0.1
569.24316	0.2
605.26599	2.1
745.27576	0.3
781.29053	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	780.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
55.05512	0.2
55.70955	0.1
57.03434	0.2
60.04527	0.1
61.02925	0.2
62.25289	0.1
65.03927	0.2
67.05502	0.3
68.99792	0.1
69.03428	0.4
69.07068	0.2
70.06592	0.2
71.04975	0.1
71.60791	0.1
73.02935	0.1
77.03983	0.1
78.04710	1.1
79.05489	1.1
81.03420	0.8
81.07066	0.6
81.07449	0.1
82.57639	0.1
83.04995	0.2
83.08611	0.1
83.15602	0.1
85.02905	1.1
86.06097	0.1
87.00816	0.2
87.06699	0.2
91.05479	1.2
91.13417	0.1
93.03378	0.2
93.07050	0.5
95.04972	0.7
95.08600	0.1
97.02874	0.6
97.06490	0.1
98.06035	0.1
99.04459	0.2
103.05465	0.4
105.03394	0.2
105.07015	1.1
106.04156	0.6
106.04827	0.1
107.04950	1.5
107.08597	0.3
109.02876	0.7
109.06521	0.3
109.10147	0.1
111.04426	0.2
111.08054	0.1
115.03912	0.1
115.05451	0.3
117.03414	0.1
117.07034	0.2
119.04942	0.4
119.08569	0.2
121.06498	0.9
121.10196	0.1
122.03636	0.2
123.04424	3.4
124.05207	1.7
124.07648	0.1
125.02404	0.1
125.06002	0.2
127.03901	0.7
128.04291	0.1
128.06209	0.2
129.07013	0.9
131.04926	0.3
131.08571	0.8
132.05728	0.1
133.06490	0.9
133.10190	0.1
134.03625	0.2
135.04417	0.3
135.08099	0.1
137.05960	1.1
137.09589	0.1
138.03137	0.1
138.06602	0.1
141.06956	0.4
143.04576	0.2
143.05647	3.4
144.05946	0.3
145.02826	0.3
145.04926	0.2
145.06532	0.2
147.04355	0.4
147.08052	0.1
147.11665	0.1
149.05972	1.0
149.09523	0.2
151.03911	0.8
151.07550	0.5
151.11081	0.1
152.04674	1.1
153.05487	0.1
155.07021	0.1
157.06502	0.6
158.07272	0.2
159.08037	0.5
160.05214	0.1
161.05975	1.4
161.09630	0.3
162.07657	0.2
163.03864	0.2
163.07513	0.4
165.05452	0.2
165.09155	0.2
166.06229	0.2
167.07034	100.0
168.07375	1.3
169.06316	0.2
169.07669	0.1
170.07164	0.1
174.06755	1.1
175.03918	0.3
175.07550	0.5
175.11183	0.1
177.05476	0.6
177.09026	0.2
179.07024	0.4
180.08742	0.1
181.05029	0.1
181.08585	2.2
186.06731	0.2
187.07576	0.3
189.07397	0.2
189.09099	3.2
191.07045	0.3
191.10655	0.2
193.08600	4.4
194.08983	0.1
195.10170	0.1
197.09534	0.1
201.09111	0.9
203.07069	0.1
203.10641	0.2
205.08611	0.1
207.06470	0.5
207.10178	0.4
209.07999	0.2
209.11743	0.1
211.09656	9.7
212.10045	0.2
217.08707	0.1
219.10158	11.1
220.10532	0.2
221.05894	0.1
223.09570	0.2
225.09160	0.1
227.06833	0.1
237.11276	0.2
239.09032	0.1
253.08411	0.1
267.15958	0.3
271.06079	0.2
272.06299	0.2
279.10086	0.1
283.09521	0.1
285.11206	0.2
285.16949	0.1
287.05466	0.4
303.04987	0.3
343.15372	0.3
345.13361	0.2
351.10599	0.1
355.15417	0.2
361.12152	0.2
361.16452	2.4
371.14682	0.3
373.16342	0.1
387.17981	0.3
399.17896	0.2
553.23730	0.1
600.34540	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	779.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05515	1.3
55.63186	0.3
56.70247	0.3
57.03432	2.0
59.05009	0.6
61.02924	5.4
66.28991	0.4
67.05504	4.8
69.03436	3.1
69.07077	1.3
69.46796	1.8
69.47215	1.1
71.01366	0.4
71.05000	1.0
73.02917	3.8
79.05500	3.1
81.03424	3.0
81.07054	4.9
83.04992	0.5
83.08647	0.8
85.02909	4.7
87.04483	0.5
91.03951	3.0
91.05476	2.3
93.07053	3.7
95.04985	1.1
95.08606	3.5
97.02880	5.1
99.04461	0.6
101.02406	2.3
103.03928	0.8
105.07039	2.3
105.16261	0.3
107.04950	0.4
107.08601	2.8
107.56563	0.3
109.02911	0.7
109.10189	1.5
111.08087	0.3
117.07028	0.4
119.08598	1.2
121.10152	2.3
127.03939	1.1
129.05534	0.4
131.08562	1.7
132.15355	0.3
133.10168	1.2
135.11751	1.0
147.11765	1.1
149.09570	0.8
149.13358	0.6
152.23825	0.3
157.10118	0.5
159.11710	0.4
185.04335	0.4
189.04306	0.4
193.12257	0.7
203.05412	0.7
243.08333	2.4
283.15186	5.1
335.25916	0.5
339.17950	0.4
440.62949	0.5
501.23105	7.0
519.29297	7.7
519.36969	0.4
779.45496	100.0
780.45837	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	779.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18175	1.2
58.30455	1.1
73.98872	1.1
82.40241	1.3
211.39125	1.4
298.72485	1.2
638.40955	1.4
779.43359	100.0
780.43353	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	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05509	2.2
56.96569	0.4
57.03439	2.3
60.93652	0.3
61.02929	5.0
61.51764	0.3
66.33978	0.4
67.05502	4.6
67.68790	0.4
69.03426	3.4
69.07065	2.9
70.06591	0.9
71.05000	1.0
71.60016	0.6
73.02908	4.0
79.05492	4.4
81.03412	4.2
81.07054	5.0
83.04976	1.0
83.08620	1.8
84.16905	0.3
85.02906	6.2
86.09657	0.4
91.03947	2.5
91.05479	4.7
93.07045	3.5
95.04985	2.4
95.05488	0.4
95.08619	2.5
97.02889	4.5
97.06567	0.7
97.10186	1.0
99.04469	0.9
101.02399	1.8
103.03955	0.5
105.07043	2.8
105.69843	0.4
107.08573	2.2
109.02910	0.8
109.06519	1.2
109.10179	1.0
111.08092	0.8
113.65217	0.4
115.03991	0.4
117.07001	0.7
119.08566	1.9
121.10162	1.8
123.08086	0.5
125.09608	0.5
127.03920	1.5
129.07022	0.8
131.08607	1.5
133.10144	1.5
135.11693	0.5
136.06168	0.4
137.13220	0.3
142.07858	0.4
143.08591	0.4
145.04901	0.4
145.10168	1.2
147.11737	1.6
149.09595	0.6
157.10178	0.9
159.11714	0.4
175.11235	1.0
185.04251	0.7
193.12273	1.0
203.05292	0.4
211.13300	0.4
241.70604	0.4
243.08394	3.0
251.12532	1.5
269.12643	0.7
285.17184	0.5
293.24564	0.5
301.09152	0.5
333.20273	2.1
453.21014	0.8
461.17599	0.4
469.20569	6.9
509.29532	0.4
551.28223	5.3
617.37311	0.5
681.34485	0.7
697.36786	0.4
779.41827	100.0
780.42084	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	779.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
55.05516	1.7
57.03439	2.5
58.08392	1.1
58.43471	0.9
61.02930	1.5
67.05512	9.9
68.07754	1.0
68.99791	1.3
69.03429	7.3
69.07076	1.9
70.06588	3.4
70.22115	1.1
70.22491	1.2
71.05003	1.9
72.08154	1.7
74.98105	1.1
79.05503	4.0
81.03429	7.3
81.07052	3.4
82.06575	1.8
83.08611	1.5
85.02916	7.8
85.06533	1.3
89.03924	1.7
91.05476	9.6
93.07040	4.9
94.06568	4.2
95.05000	2.7
95.08607	2.6
97.02898	3.7
98.20734	2.7
99.04442	2.0
99.68742	1.1
103.05506	1.4
105.07045	5.0
107.04985	1.3
107.08601	2.4
107.80738	1.1
108.08134	3.6
109.02912	4.0
109.10121	2.4
111.08130	1.0
111.70126	1.3
117.03423	6.1
117.06986	2.1
119.04950	5.2
119.08575	3.2
120.04420	1.4
120.08116	2.8
121.06516	1.8
121.10152	1.8
122.06052	16.4
123.11708	1.3
124.07603	2.1
127.03934	5.9
129.01857	1.3
129.06973	1.8
129.73721	1.1
131.04929	1.5
131.08577	1.6
133.02867	1.3
133.06520	2.3
133.10086	2.0
134.06029	4.1
135.04460	2.2
135.11708	1.5
136.06192	1.4
136.06554	1.2
136.07596	11.3
137.05969	10.1
137.09607	1.8
137.67033	1.4
138.09131	2.0
141.06883	1.1
143.05661	9.4
145.02849	13.1
145.10127	2.2
146.06035	2.6
147.04459	4.8
148.07608	4.4
149.05988	4.0
149.09535	1.1
151.03979	1.9
152.07082	1.2
156.72221	1.1
161.05927	1.4
163.03912	3.3
164.07027	7.5
166.08722	6.4
167.07060	21.2
174.05528	1.9
175.03888	6.1
175.07565	1.7
177.05481	34.0
178.05821	2.1
179.07088	1.6
186.05435	1.3
186.71269	1.3
193.08621	1.9
204.06532	1.4
207.06502	10.9
208.06787	1.5
222.11525	3.0
223.08720	4.6
223.12292	3.0
224.13069	2.1
225.10226	17.3
225.13742	2.3
226.10976	1.6
227.11781	2.1
235.08652	5.8
235.12294	2.3
236.09508	3.7
236.13171	1.4
237.10243	9.0
237.13931	5.2
238.11020	8.7
239.11777	11.4
240.12500	1.9
241.09593	2.3
241.13251	1.8
245.03864	1.2
247.12239	2.2
248.09528	3.7
249.07829	2.3
249.10231	14.1
250.10997	16.1
251.08252	7.6
251.11801	41.8
251.14465	2.2
252.12535	8.9
253.13385	7.8
255.11411	1.4
263.11810	28.1
264.09378	1.9
264.12555	14.6
265.09775	8.4
265.13370	56.4
266.10556	2.4
266.13998	6.0
267.11340	3.2
267.14969	8.6
275.11636	1.8
277.09845	5.2
277.13132	1.3
278.10419	8.1
279.11295	16.4
280.12039	4.3
281.12796	5.8
283.10809	10.3
284.10965	1.4
287.05338	1.9
287.14005	1.4
288.05817	1.5
291.11493	6.7
291.14310	1.5
293.09674	2.3
293.12848	19.6
294.10703	1.6
294.13638	4.3
295.10880	4.6
295.14465	5.4
296.11517	9.2
297.12326	10.4
298.13248	2.3
299.13998	1.5
309.12369	40.2
310.13046	7.5
311.13913	64.5
312.14456	2.8
313.15570	1.7
319.10794	5.9
320.11356	1.8
321.12317	10.6
323.10205	2.0
323.13696	1.4
324.11029	2.6
325.11868	3.0
325.15363	1.7
335.13831	1.4
337.11807	25.7
338.12494	12.2
339.13431	34.1
344.13992	1.8
351.13336	3.9
352.14349	1.6
353.14960	9.0
356.14090	1.9
357.14407	7.6
359.16440	1.7
369.14493	64.3
370.14902	6.3
371.16037	98.9
372.16675	5.2
386.18640	3.9
395.16241	1.5
400.16583	1.7
404.19708	1.7
411.15475	3.4
413.17227	5.5
414.18054	4.8
416.19662	16.8
432.19241	16.1
433.19519	1.3
435.15421	1.4
437.16913	1.9
441.16486	2.4
442.17407	7.1
443.17932	1.7
446.20746	3.1
446.77585	1.2
455.17874	3.6
460.18683	83.8
461.19110	3.4
464.21805	29.9
465.16156	1.5
465.22244	1.9
471.17535	3.7
473.19400	6.7
474.20175	5.0
483.17560	3.4
492.21326	100.0
493.21918	2.7
494.23090	1.4
495.17139	1.5
496.24533	1.3
497.19547	2.6
501.18658	2.8
502.19992	1.6
513.18579	4.9
515.20258	10.1
531.19818	5.0
533.21411	17.3
534.22321	9.9
541.28156	2.5
557.29260	1.3
567.25897	5.7
568.20551	2.1
569.14819	4.3
569.82196	1.4
576.22852	1.3
585.27106	74.0
586.20270	6.5
586.29486	1.7
600.23376	6.1
603.26721	3.5
604.23108	5.3
617.29437	5.4
618.24512	10.8
622.24060	4.9
636.25500	31.0
637.26227	2.6
638.25909	1.9
654.26483	21.6
655.26337	1.4
693.28967	2.5
707.30786	2.8
725.31366	2.2
761.32874	1.8
779.36725	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	779.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05497	0.2
56.96571	0.1
57.03432	0.3
60.05651	0.2
61.02913	0.2
63.02378	0.1
65.03938	0.4
67.05521	0.4
68.99778	0.3
69.03432	1.4
69.07054	0.1
69.31987	0.2
69.32391	0.7
70.06591	0.9
71.04974	0.2
72.08143	0.2
73.02916	0.2
73.04050	0.2
79.05490	0.2
81.02988	0.1
81.03420	1.9
81.07049	0.4
83.02451	0.2
83.04959	0.2
84.08115	0.1
85.02908	1.5
85.06524	0.1
86.06062	0.2
87.00812	0.4
87.04457	0.1
87.06720	3.6
89.03926	0.1
91.05486	6.8
93.07046	0.3
95.04977	0.3
95.08617	0.2
97.02901	1.5
98.03554	0.1
98.06052	0.2
99.03912	0.1
99.04437	0.5
101.03490	0.1
103.05473	0.1
105.01870	0.1
105.07012	0.4
107.04923	0.1
107.08604	0.3
108.08120	0.1
109.02879	2.2
109.03600	0.1
109.10152	0.3
111.04453	0.2
111.06667	0.1
113.04618	0.3
115.05448	0.1
117.03387	0.2
117.07030	0.1
119.04941	0.3
119.08570	0.3
120.08105	0.1
121.06481	0.1
121.10098	0.2
121.67094	0.1
122.06016	0.1
123.04415	0.2
123.11652	0.1
125.02371	0.2
125.04597	0.2
126.03014	0.3
127.03926	1.9
129.01846	0.3
129.06966	0.1
131.04968	0.1
131.08524	0.1
133.06448	0.2
133.10095	0.2
135.04390	0.2
135.08075	0.2
136.07558	0.2
137.02362	1.1
137.05986	0.5
141.01851	0.3
141.04059	1.3
142.04877	0.8
143.05647	100.0
144.05972	0.3
145.02853	0.5
145.04984	0.4
145.10181	0.2
146.06140	0.1
147.04446	0.5
147.08130	0.1
148.07628	0.1
149.05962	0.2
151.03929	0.2
151.07582	0.1
151.11180	0.1
153.01878	0.1
155.05663	0.2
159.02898	0.2
159.11697	0.1
161.05898	0.1
163.03917	0.2
164.07120	0.2
167.05644	0.3
167.07056	1.3
169.04977	0.1
171.02956	0.1
171.11688	0.1
175.03964	0.5
177.05481	1.1
181.04951	0.1
185.06708	0.7
189.05389	0.1
193.08714	0.2
207.06587	0.9
208.06802	0.1
209.06647	0.2
213.03937	0.3
219.10118	0.1
224.94881	0.1
231.05043	0.3
233.06738	0.3
233.10313	1.3
237.10066	0.1
238.11046	0.1
239.11772	0.2
249.10277	0.1
250.10852	0.2
251.07890	0.2
251.11819	0.5
252.12350	0.2
253.12997	0.2
263.11774	0.1
265.13373	0.6
266.10681	0.1
266.13815	0.2
269.08768	0.1
269.45047	0.1
279.11288	0.2
280.11823	0.2
287.05502	0.9
291.10809	0.1
293.12860	0.4
294.13077	0.1
295.13742	0.1
301.06973	0.2
305.10941	1.9
311.13876	0.4
312.14148	0.1
321.12305	0.1
337.07721	0.1
339.07028	0.2
339.13361	0.2
353.14838	0.1
357.08163	0.3
369.12430	0.1
371.15985	0.4
373.09885	1.8
373.16879	0.1
375.09238	0.1
391.10797	0.1
395.15979	0.1
413.17227	0.2
414.17886	0.1
421.17508	0.1
433.12097	0.5
439.18408	0.1
460.30179	0.1
463.11011	0.3
465.17200	0.1
473.19434	0.1
474.19800	0.1
481.11566	0.4
483.17569	0.5
484.17853	0.2
485.18832	0.1
497.19507	0.2
498.19391	0.2
499.13120	2.7
499.19650	0.1
501.18643	0.1
514.19366	0.1
515.20258	0.7
516.20544	0.4
517.14203	1.5
517.21143	0.3
529.11774	0.3
533.21362	0.6
535.15234	3.1
606.23798	0.1
617.37805	0.3
620.26184	0.1
636.25610	0.1
637.25757	0.2
638.26044	0.3
675.30835	0.1
778.40216	0.1
779.21991	0.9
779.35223	0.3
779.42303	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.1
57.03443	0.1
60.05647	0.2
61.02917	0.1
65.03940	0.2
68.99792	0.2
69.03433	1.0
69.39395	0.7
71.04993	0.1
73.02921	0.2
73.04044	0.1
79.22884	0.1
81.03416	1.5
83.02470	0.2
83.04967	0.1
85.02915	1.0
87.00860	0.3
87.06718	3.6
91.05484	5.1
97.02894	1.3
98.03600	0.1
99.04458	0.4
101.03523	0.1
103.12331	0.1
103.89021	0.1
108.78168	0.1
109.02885	2.1
111.04433	0.2
111.06687	0.2
113.04601	0.4
114.03036	0.1
115.06151	0.2
116.04578	0.1
117.17025	0.1
123.04413	0.1
125.02379	0.1
125.03481	0.1
125.04601	0.2
126.03024	0.3
127.03917	1.7
129.01865	0.2
137.02347	0.6
137.05986	0.2
141.01834	0.3
141.04085	1.8
142.04889	0.8
143.05646	100.0
144.06128	0.4
145.04996	0.3
147.02895	0.1
147.37067	0.1
151.03941	0.1
155.05673	0.3
159.02844	0.1
167.05652	0.3
167.07072	0.2
175.03899	0.2
181.05142	0.1
185.06714	1.2
188.11629	0.1
189.05504	0.1
195.02922	0.1
207.06573	0.1
209.06729	0.3
213.03848	0.4
217.05104	0.1
231.05042	0.2
233.06830	0.3
233.10342	1.7
244.95943	0.1
251.07762	0.2
269.08752	0.2
279.07364	0.1
287.10428	0.1
305.10950	1.7
337.07797	0.3
339.07199	0.2
355.08905	0.1
357.08548	0.1
373.09937	1.6
375.09042	0.1
391.11011	0.3
395.15604	0.1
397.09781	0.1
433.12012	0.8
463.10934	0.3
481.12051	0.6
497.98355	0.1
499.13089	3.4
500.13113	0.1
517.14117	2.2
535.15259	4.1
536.15729	0.1
607.18805	0.1
625.19812	0.3
779.22272	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	779.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.1
57.03435	0.2
60.05647	0.3
62.43737	0.1
65.03941	0.3
67.05492	0.2
67.82514	0.1
68.99799	0.2
69.03430	1.0
69.42776	0.9
70.06593	0.3
71.01348	0.1
71.05000	0.2
72.08151	0.1
73.02901	0.1
73.04037	0.2
78.04712	0.4
79.05496	0.4
81.03416	1.3
81.07058	0.2
83.02484	0.2
83.05013	0.1
85.02907	1.3
87.00814	0.3
87.06721	3.9
88.81445	0.1
91.05482	7.0
93.07033	0.3
95.04974	0.4
95.08611	0.1
97.02895	0.8
99.04459	0.3
101.03522	0.1
103.05479	0.2
105.01868	0.1
105.07063	0.5
106.04157	0.1
107.04959	0.5
107.08626	0.1
109.02882	1.4
109.06515	0.1
111.04471	0.2
113.04618	0.2
115.05428	0.1
117.07025	0.1
119.04955	0.2
119.08543	0.2
121.06472	0.2
121.10151	0.2
121.79256	0.1
122.06007	0.1
122.20654	0.1
123.04436	1.0
124.04786	0.1
124.05227	0.2
125.04649	0.2
126.03056	0.2
127.03925	1.5
129.01823	0.2
129.07014	0.2
131.04958	0.1
133.06516	0.3
133.07616	0.1
133.10164	0.1
135.04399	0.1
135.11649	0.1
136.07568	0.1
137.02344	0.3
137.05984	1.8
138.06302	0.3
141.01848	0.2
141.04060	1.0
142.04874	0.9
143.05646	100.0
144.06088	0.5
145.02879	0.2
145.04958	0.3
145.06367	0.2
145.10193	0.1
147.04408	0.4
149.02449	0.1
149.05974	0.2
151.03871	0.3
151.07550	0.1
152.04684	0.3
153.05125	0.1
159.02840	0.2
161.06010	0.3
161.09641	0.1
163.03935	0.1
167.07042	28.6
168.07381	6.7
168.09460	0.1
175.03911	0.3
175.07518	0.3
177.05440	0.5
179.06993	0.1
181.04933	0.1
181.08640	0.3
185.06696	0.5
187.07500	0.1
191.07112	0.1
193.08595	1.3
194.08891	0.3
205.08685	0.2
207.06578	0.8
209.06674	0.1
211.09662	2.7
212.09984	0.7
213.03877	0.2
217.08667	0.1
231.05019	0.2
233.10313	1.2
235.09535	0.1
238.10789	0.1
251.07765	0.2
251.11629	0.1
252.12369	0.1
263.11713	0.1
265.13364	0.2
271.06073	0.2
279.11127	0.1
287.05518	1.0
305.10895	2.0
337.07672	0.2
357.08209	0.1
369.12796	0.1
371.14847	0.2
373.09933	2.1
375.08929	0.2
387.14648	0.1
391.10852	0.1
433.11896	0.4
463.10782	0.2
481.11752	0.2
499.13129	1.5
515.19885	0.2
517.14215	1.0
535.15143	1.9
606.23621	0.1
637.25281	0.2
638.25732	0.4
650.92493	0.1
779.21912	1.0
779.33624	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	778.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.2
55.05530	0.1
57.03426	0.3
60.05626	0.1
61.02906	0.1
63.59700	0.1
65.03943	0.3
66.04742	0.1
67.01831	0.1
67.05500	0.4
68.99786	0.2
69.03438	0.8
69.07069	0.2
70.06583	0.4
71.04994	0.1
71.60353	0.2
73.02913	0.1
77.03918	0.1
78.04704	0.8
79.05495	0.8
81.03425	1.0
81.07057	0.3
83.04992	0.1
84.04527	0.1
85.02907	1.1
87.06714	1.4
91.05484	3.7
93.07048	0.4
94.04164	0.1
95.04957	0.6
95.08598	0.2
96.05746	0.2
97.02898	0.6
98.06078	0.2
99.04468	0.2
101.02384	0.1
103.05454	0.2
105.03380	0.1
105.07043	0.8
105.18240	0.1
106.04176	0.5
107.04961	1.1
107.08628	0.2
109.02880	0.9
109.06515	0.2
109.10179	0.1
110.03619	0.1
111.04417	0.1
111.08138	0.1
113.04653	0.2
114.05531	0.1
115.05457	0.3
117.07021	0.2
118.81040	0.1
119.04948	0.4
119.08612	0.2
120.08112	0.1
121.06498	0.4
122.03642	0.3
122.06023	0.2
123.04433	3.1
123.08062	0.2
124.05231	1.1
125.06030	0.2
127.03923	0.9
128.28752	0.1
129.07016	0.2
131.04942	0.2
133.02809	0.1
133.06497	0.7
133.10143	0.1
134.03635	0.1
135.04433	0.2
135.07997	0.1
136.07552	0.2
137.05977	3.0
137.09605	0.1
138.06346	0.1
139.07457	0.1
140.07076	0.2
141.01819	0.1
141.04065	0.4
141.06949	0.1
142.04858	0.3
143.05646	39.2
145.02858	0.2
145.04970	0.3
145.06470	0.3
147.04413	0.3
148.07556	0.1
149.05965	0.6
149.09657	0.1
151.03920	0.6
151.07553	0.2
152.04681	1.0
153.05426	0.1
155.06979	0.1
157.06529	0.2
161.05988	1.0
162.07600	0.2
163.03867	0.1
165.05502	0.1
165.09160	0.2
166.06219	0.1
167.07042	100.0
168.07414	1.4
173.05963	0.4
175.03931	0.4
175.07524	0.9
177.05496	0.7
178.06090	0.1
179.07013	0.4
180.08723	0.2
181.08618	0.8
185.06728	0.2
187.07559	0.4
189.09087	0.2
191.07018	0.2
193.08612	4.4
194.08971	0.1
201.05515	0.1
205.08618	0.7
206.57719	0.1
207.06503	0.8
207.09964	0.1
211.09665	11.2
212.12823	0.1
213.03937	0.1
217.08554	0.6
219.10109	0.2
233.10208	0.4
235.09630	0.4
237.10136	0.1
238.11040	0.1
239.09143	0.2
239.11647	0.3
241.10699	0.1
247.09584	0.2
251.11664	0.4
252.12227	0.2
253.13142	0.2
264.12390	0.1
265.10498	0.3
265.13303	0.5
266.10519	0.1
266.13763	0.3
267.11169	0.1
271.06024	0.2
272.06210	0.1
279.11172	0.2
280.11685	0.2
287.05542	0.4
293.12344	0.1
294.13055	0.2
297.11838	0.1
299.13934	0.1
305.11011	0.6
311.13834	0.3
312.14194	0.2
314.15628	0.1
341.13950	0.2
353.13943	0.4
357.93234	0.1
371.14963	0.9
372.16467	0.2
373.09961	0.8
392.25607	0.1
456.18848	0.2
483.17282	0.1
484.17667	0.2
499.13196	0.7
514.18732	0.1
515.20087	0.3
516.20782	0.5
517.13843	0.4
535.15460	0.7
601.24109	0.2
605.22845	0.1
619.24353	0.3
636.25305	0.3
637.25751	1.2
746.30365	0.1
779.22528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57240	3.2
63.23178	2.9
67.05493	4.4
69.03427	11.1
69.07056	3.8
70.06593	8.5
71.04974	3.9
79.05489	5.8
81.03409	8.3
81.07049	9.3
83.04992	3.8
83.56898	2.8
85.02905	10.0
85.06540	8.1
91.05471	10.0
93.07035	9.0
95.04940	4.7
95.08594	11.9
97.02889	8.4
97.06516	5.9
99.04420	3.2
99.08079	8.2
105.07033	7.4
107.04950	4.3
107.08624	18.8
109.06519	4.9
109.10116	7.1
111.04492	4.1
116.07090	3.3
116.98625	4.7
119.04987	5.4
121.06503	10.0
121.10143	11.2
123.08081	7.8
127.03875	8.4
131.08598	4.7
133.10143	10.9
135.04419	2.8
135.08049	5.0
135.11687	3.4
137.06012	5.3
139.29527	3.1
141.05533	3.5
143.05656	79.6
144.03946	3.6
147.04416	6.9
147.11748	5.7
149.06007	3.8
149.09604	31.8
149.13251	12.2
151.03923	100.0
151.05000	5.5
151.11227	7.0
163.14824	11.7
167.07040	13.8
169.04961	3.8
173.13281	12.3
175.03883	12.6
177.05502	12.6
179.07040	3.2
189.05405	2.8
191.07185	2.9
191.14328	32.1
207.06490	17.9
208.06943	6.4
209.13493	6.9
209.15378	99.1
224.37064	3.1
227.16492	7.4
295.08011	3.9
303.05130	24.4
313.09161	5.0
369.11966	4.6
408.19232	4.4
614.60919	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	777.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05513	2.7
57.03434	3.5
61.02923	4.4
67.05505	6.4
69.03430	3.2
69.07082	2.8
69.59395	3.0
69.59821	3.3
71.01328	0.8
71.05004	1.7
73.02933	2.9
79.05493	5.2
81.03425	4.3
81.07066	6.5
83.04987	1.2
83.08625	1.8
85.02905	5.5
91.03973	2.6
91.05473	5.6
93.07033	5.1
95.04989	2.6
95.08626	3.0
97.02880	4.5
97.06535	1.3
99.04453	1.2
101.02392	1.7
105.07047	4.3
105.33969	0.9
107.04972	1.7
107.08610	3.3
109.06552	1.3
109.10175	2.5
117.07053	1.4
119.08592	2.4
121.10160	1.5
125.09643	1.2
127.03895	0.9
129.06973	1.2
131.08525	1.7
133.10170	2.6
135.11685	0.8
143.08533	0.9
145.10106	2.0
147.08054	1.1
147.11688	1.5
149.09628	1.3
157.10146	0.9
161.13152	0.8
175.11171	0.9
193.12280	2.2
205.49153	0.8
230.15468	1.3
243.08479	3.0
251.12665	2.3
255.08926	1.1
273.18420	0.9
283.37238	0.8
291.19467	1.3
311.14218	0.8
331.19022	1.1
354.38312	1.1
451.19418	1.3
469.20313	6.2
549.26495	5.1
679.32367	1.1
759.39166	4.9
777.40161	100.0
778.41492	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	777.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49683	0.4
55.01873	0.6
55.05508	2.4
57.03452	2.1
61.02934	3.9
65.03944	0.4
67.05506	5.3
69.03425	2.6
69.07074	3.8
71.04997	1.3
73.02922	3.4
79.05498	5.0
81.03425	2.1
81.07057	5.7
83.04991	1.0
83.08601	2.1
85.02905	4.4
85.06541	0.5
87.04467	0.6
91.03956	2.8
91.05482	3.1
93.07043	5.2
93.80206	0.4
95.04994	1.8
95.08626	4.1
97.02890	4.1
97.06528	1.2
97.10168	1.0
98.20679	0.6
99.04469	0.8
101.02415	1.9
105.07009	2.7
107.04992	1.3
107.08584	4.4
109.02916	0.5
109.06509	1.0
109.10188	1.7
111.04469	0.6
117.06956	1.0
119.08574	2.4
121.10177	1.6
125.09638	0.8
125.21658	0.4
127.03950	0.9
129.07037	0.9
131.08569	1.2
133.10165	1.5
135.08069	0.6
135.11713	4.0
143.08585	0.5
145.10168	1.9
147.11746	1.0
149.09616	0.7
159.11835	0.5
161.13379	0.5
163.11212	4.2
163.36156	0.4
168.39178	0.5
181.12146	1.0
184.07417	0.4
185.04282	0.8
187.11121	0.4
199.60678	0.4
203.05341	0.8
227.12779	3.0
243.08429	4.4
245.56783	0.4
249.11003	7.5
249.13437	0.6
269.17642	0.6
285.10269	0.9
305.13547	2.4
333.20395	1.3
367.18124	0.4
372.80579	0.5
389.23242	0.6
413.18384	0.5
439.19165	1.1
447.15564	0.5
453.21237	0.9
467.18921	10.9
469.20917	0.6
504.34259	0.5
539.21423	0.7
551.28314	6.0
615.35004	0.7
615.78552	0.5
777.40302	100.0
778.40350	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.05268	3.6
55.05515	49.0
56.03864	2.0
57.03445	16.9
57.07069	4.4
57.30205	2.6
57.30492	2.5
61.02922	4.7
65.03946	5.0
67.05507	100.0
69.03445	5.4
69.07072	19.6
71.01348	2.2
71.05014	2.6
71.60140	4.3
78.43061	2.0
79.05063	3.8
79.05497	51.1
81.03403	9.4
81.07061	65.5
83.04998	5.3
83.08624	15.1
85.02909	16.8
85.06538	4.9
87.04463	7.6
91.05483	26.4
93.07049	47.6
95.04962	7.2
95.08611	49.6
97.02891	4.5
97.06506	3.5
97.10169	21.1
105.07036	18.5
107.04993	2.3
107.08614	25.3
109.10159	49.9
109.22730	2.0
111.08089	4.1
117.07012	9.7
119.08566	16.9
121.10146	20.3
123.08109	4.1
123.11694	4.4
125.09634	22.4
129.06970	3.8
131.08560	13.8
133.10126	10.5
135.11722	13.4
137.09619	2.6
137.13203	2.5
139.11176	4.1
143.08521	3.7
143.10728	2.9
145.10126	9.5
147.11684	8.4
149.09627	4.7
149.13301	5.1
153.12740	2.5
157.10085	2.3
159.11699	7.7
161.13228	5.7
163.11174	6.4
163.14813	5.0
171.11652	2.9
173.11737	11.9
173.13147	4.3
175.75867	2.2
177.18422	2.2
181.12283	3.6
181.36598	2.3
182.63274	2.1
185.13286	3.1
187.14828	2.8
187.56950	2.1
199.13213	12.6
209.11649	2.8
224.75616	2.3
227.12888	7.9
229.14342	32.8
241.11136	2.1
243.21104	3.9
259.20593	4.1
261.22180	11.1
273.50024	2.3
277.21765	4.7
301.16473	17.3
335.25830	67.1
336.26462	2.7
363.25507	3.3
451.31317	2.8
477.35504	12.1
489.35849	12.5
543.36566	3.1
561.37396	6.6
579.39154	6.1
638.24603	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05512	38.7
57.03433	19.7
57.07071	3.9
59.05011	2.3
61.02911	4.6
65.03950	3.7
67.05505	100.0
69.03425	5.7
69.07068	20.1
71.01335	2.3
71.04975	4.7
71.60484	3.2
71.60852	1.4
73.02895	2.2
79.05493	49.4
81.03410	5.9
81.07054	62.0
83.04996	8.5
83.05400	1.2
83.08616	15.2
84.08910	1.5
85.02899	16.0
85.06548	3.1
87.04458	5.8
87.16084	1.3
89.06026	2.0
91.05476	29.4
93.07044	42.2
93.07630	2.5
94.07389	1.3
95.04942	10.3
95.08607	48.2
95.51874	1.3
97.02895	5.2
97.06530	5.2
97.10165	22.4
99.08105	1.9
103.53780	1.4
105.07027	16.7
107.04973	2.5
107.08587	27.9
109.06529	4.0
109.10155	57.8
111.08072	3.1
111.44870	1.7
114.05502	1.4
117.07012	7.1
119.08601	15.1
121.06522	1.8
121.10140	20.3
123.08084	1.9
123.11703	4.9
125.09635	19.9
129.07004	1.6
131.08559	9.7
133.10126	11.6
135.08008	1.8
135.11679	11.5
137.09634	2.4
137.13239	1.9
139.11229	2.3
143.10690	2.8
145.10063	10.0
147.11658	6.4
149.09659	2.7
149.13258	5.9
153.12762	2.0
155.08536	2.4
155.10672	1.8
157.10118	2.4
159.11674	5.6
161.13292	5.7
163.11169	4.7
163.14830	3.1
173.11736	14.0
173.13274	4.1
184.07317	1.8
185.11784	1.6
185.13341	2.8
187.14830	2.4
189.11189	2.6
189.12732	1.4
191.10815	2.1
193.12325	2.2
197.13235	1.6
199.13309	9.3
209.11746	5.0
211.13341	2.0
227.12761	6.5
229.14352	43.6
241.19534	1.6
243.21140	3.1
245.13689	1.8
259.20673	2.6
261.22092	11.5
267.15955	4.1
283.15506	2.0
288.17670	1.4
289.21634	2.0
300.15134	1.8
301.16449	16.7
315.23102	1.5
317.24631	2.1
333.24017	2.2
335.25784	61.5
336.59677	1.6
363.25262	1.9
459.34729	2.0
477.35818	7.5
477.41766	1.6
489.35959	7.4
525.35632	2.0
543.36737	3.7
561.37805	11.0
776.44513	4.2
804.48352	1.8
804.99249	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.7
55.05301	2.4
55.05515	24.3
56.96569	6.7
57.03435	10.3
59.04992	4.1
59.55205	2.3
61.02926	7.3
65.03937	4.3
67.05506	100.0
68.05814	2.9
69.03435	8.8
69.07067	30.0
70.89126	4.9
71.04993	36.4
73.02921	4.1
79.05497	44.2
79.80178	2.3
80.05856	2.7
81.03412	23.6
81.07058	67.6
82.07383	2.3
83.05000	11.8
83.08608	16.0
85.02913	9.8
86.09676	2.6
89.35695	2.9
91.03965	3.3
91.05476	48.2
93.07042	55.8
95.04977	12.9
95.08609	34.5
97.02883	11.0
97.06521	13.7
97.10165	8.5
98.97594	7.3
99.04424	3.4
99.08047	2.3
103.05480	2.6
105.07021	30.7
106.56614	2.6
107.04950	6.1
107.08594	37.0
109.02828	3.2
109.06525	7.4
109.10154	59.7
111.08098	6.8
113.05980	2.7
115.05457	2.9
116.98611	6.4
117.07021	11.5
119.08585	29.1
119.15786	2.3
120.08855	2.2
121.06496	5.2
121.10151	14.7
123.08064	5.0
123.11729	4.9
125.09667	11.2
127.03972	3.7
128.98698	3.4
129.06984	5.8
131.00162	4.8
131.08571	15.2
133.06537	3.6
133.10155	19.4
134.99684	6.1
135.08035	3.8
135.11710	19.4
137.09624	10.7
139.11177	3.3
143.08542	5.0
145.06433	2.9
145.10129	18.7
146.99686	5.2
147.08110	2.4
147.11670	13.5
149.01241	7.2
149.09605	9.6
149.13292	4.7
151.11168	4.7
155.08617	3.2
157.10097	7.0
157.39740	2.7
158.99698	3.2
159.11699	10.7
161.01158	2.7
161.13286	4.0
163.11201	10.3
167.02245	3.2
169.10136	3.8
170.99629	4.8
171.11690	2.9
173.09486	2.8
173.11745	11.4
173.13206	5.5
175.11183	5.1
177.00734	6.4
177.12773	2.9
179.14275	3.2
181.12344	3.3
185.13275	3.7
187.13326	2.3
189.00748	7.4
189.11229	6.5
193.12300	3.3
195.13838	3.7
211.13255	6.0
215.11694	2.3
219.01799	4.3
227.12796	10.2
229.14339	3.5
243.15762	3.7
255.15897	7.6
257.18909	6.8
259.20465	2.9
267.09018	3.1
267.15860	15.1
269.17511	6.9
273.18338	2.8
275.20120	19.8
277.21536	2.9
285.09906	2.8
286.17178	3.0
287.18500	20.1
292.19818	3.4
293.05521	5.2
293.20892	2.7
311.06580	3.2
321.04892	11.3
322.05139	5.0
349.23862	16.0
351.25262	6.5
409.25885	5.3
423.27408	18.0
435.27426	12.5
437.29062	7.5
438.10080	3.6
449.29074	13.9
455.10477	6.2
456.10886	4.1
467.29907	4.6
481.31494	24.5
485.32587	6.2
503.33664	40.2
517.35034	8.4
529.35248	14.3
543.36597	12.8
554.27814	2.9
559.03259	3.0
561.37903	20.5
716.31909	6.7
776.39752	8.7
777.40320	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.8
55.05510	44.7
55.11217	0.8
57.03186	1.1
57.03440	18.5
57.07064	4.1
59.04995	2.8
60.92222	0.9
61.02917	3.5
64.84339	0.8
65.03945	4.3
67.05505	100.0
67.15585	0.8
69.03439	5.4
69.07063	18.1
69.39519	9.0
71.01356	1.7
71.04994	4.0
71.08624	1.5
71.77404	0.8
72.74509	0.9
73.02914	2.4
79.05492	52.1
81.03416	6.6
81.07056	61.5
82.07351	1.4
83.04981	6.4
83.08613	15.9
85.02418	1.3
85.02906	14.6
85.06527	2.9
87.04465	5.5
91.03950	2.7
91.05476	24.7
93.07043	46.9
95.04974	7.0
95.08605	41.9
95.09232	1.0
97.02891	5.0
97.06517	6.3
97.10165	22.2
99.04429	1.3
99.08075	1.2
102.88813	0.8
103.03933	1.9
105.07027	18.4
106.07375	1.1
107.04930	1.0
107.08588	29.5
109.06513	2.9
109.10152	50.6
111.04497	1.3
111.08095	4.2
111.11682	0.9
113.09528	1.0
117.07016	7.6
119.08575	14.8
121.06495	1.2
121.10141	19.0
123.08057	3.8
123.11738	6.1
125.09630	21.2
129.05496	1.3
129.06975	2.2
131.08562	11.2
133.10130	11.3
135.08009	1.3
135.11699	15.2
137.09642	3.3
137.13240	1.4
139.11230	1.9
143.08560	1.8
143.10670	2.7
145.10104	10.7
147.11687	7.1
149.09583	1.6
149.13237	5.9
151.11176	1.3
153.12766	1.4
155.08470	1.1
155.10675	1.7
157.10109	2.4
159.11688	6.8
161.13298	3.2
161.47346	1.0
163.11145	5.3
163.14812	2.1
171.11700	2.2
173.09621	1.0
173.10127	1.2
173.11742	15.1
173.13272	5.5
173.82355	1.0
175.14845	2.0
177.12784	1.0
177.16399	1.1
181.12201	1.5
183.11734	1.0
185.13336	1.3
187.14839	2.4
189.11201	2.2
189.16402	1.1
191.10719	1.5
193.12242	1.8
199.13293	10.9
201.16339	1.5
209.11772	3.3
217.14301	2.0
227.12759	7.5
229.14345	43.1
243.21104	4.6
245.13855	2.5
257.13751	1.0
259.20612	2.9
261.22128	13.0
267.15918	3.7
283.15482	1.9
289.21625	1.6
293.24231	1.0
300.15149	1.2
301.13300	1.5
301.16458	13.7
315.23135	1.4
317.24780	2.4
327.23334	1.4
335.25797	76.0
336.26089	1.7
345.24448	1.4
363.24982	2.1
393.72864	1.1
419.27884	1.0
459.35181	1.1
465.20587	2.5
466.21234	3.6
477.35834	9.9
489.35834	16.2
525.36255	1.2
538.20868	1.0
543.36609	3.3
561.37604	7.0
579.38568	1.5
683.87323	1.0
689.35089	2.0
690.35535	14.3
713.47369	1.1
758.41022	2.5
776.41724	4.0
802.81726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05512	3.4
55.37714	0.5
57.03443	2.8
61.02932	5.6
67.05506	8.5
69.03430	4.3
69.07069	3.5
69.75485	0.4
71.05013	1.5
71.60291	1.0
73.02920	3.5
79.05493	8.6
80.05839	0.7
81.03407	3.2
81.07063	10.0
82.07394	0.6
83.04980	2.2
83.08624	2.0
85.02903	5.0
85.06527	0.7
91.03960	3.6
91.05473	9.0
93.07043	8.3
95.04987	3.3
95.08605	4.3
97.02895	5.0
97.06556	1.9
99.04455	0.7
101.02402	1.9
105.07036	5.6
107.04955	1.0
107.08596	4.6
109.02875	1.0
109.06520	1.0
109.10169	1.7
111.08107	0.8
117.07038	1.6
119.08586	3.5
120.08893	0.8
121.06509	0.9
121.10154	1.9
123.08125	1.4
125.09651	0.5
127.03950	0.9
129.07004	1.3
131.08588	1.6
133.10155	2.9
134.10516	0.7
135.08125	0.8
135.11716	2.1
136.12201	0.5
139.49538	0.5
143.08566	1.3
145.10159	1.9
147.11670	2.7
149.09566	0.7
159.11656	1.0
161.13202	0.7
171.11729	1.5
173.13396	0.5
185.04335	0.6
225.68750	0.5
243.08423	4.1
247.13139	1.3
269.17612	1.1
275.20071	1.1
296.78839	0.5
303.15875	1.0
333.20380	1.1
365.16293	0.5
389.22775	0.8
433.13583	0.5
439.19272	1.2
453.21158	1.5
465.21048	9.3
469.20859	0.8
518.24481	0.6
529.01129	0.5
540.62488	0.5
551.28369	7.6
625.17560	0.6
631.32587	0.7
677.34888	0.9
717.68427	0.6
775.42371	100.0
776.42462	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05509	2.8
56.96545	0.6
57.03439	1.9
57.07108	0.5
61.02925	5.0
61.72532	0.4
62.08979	0.5
67.05504	9.1
67.32319	0.4
68.05856	0.9
69.03425	3.9
69.07069	4.7
71.04990	1.3
71.08606	0.4
73.02915	2.8
79.05493	7.9
81.03409	3.1
81.07056	8.1
83.04991	1.8
83.08626	1.8
85.02903	5.1
91.03974	2.4
91.04524	0.5
91.05476	5.9
93.07045	7.2
95.04971	3.1
95.08604	4.3
96.08949	0.6
97.02892	3.9
97.06535	0.8
97.10194	1.6
98.20790	1.2
99.04454	0.9
101.02400	2.2
105.07026	5.7
107.04977	1.6
107.08598	3.8
109.02869	0.8
109.06539	1.2
109.10165	2.9
109.41396	0.5
111.04450	0.9
111.08134	0.6
117.07039	1.7
119.07844	0.7
119.08569	3.8
121.06519	0.9
121.10175	1.9
123.08111	0.9
125.09644	0.8
127.03976	1.5
129.07062	1.4
131.08580	1.1
133.10170	2.3
135.11732	1.7
145.10156	2.1
147.08124	1.1
147.11693	2.7
163.11247	1.6
171.11745	1.4
189.12808	0.8
211.13358	0.7
227.12733	0.9
241.28860	0.5
243.08470	2.6
247.13118	0.9
249.11087	1.1
291.19748	2.0
292.20001	1.1
303.15823	0.7
315.10809	0.5
332.32788	0.6
333.20496	1.3
349.23785	0.7
366.23697	0.8
373.10971	0.6
465.20972	11.0
465.26712	0.8
467.18857	3.1
519.33197	1.4
520.33313	2.8
546.35291	1.5
549.26941	0.6
551.28192	5.2
557.69073	0.6
560.37341	0.6
578.37555	1.3
757.38251	1.5
775.42175	100.0
776.42035	2.3
786.44110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05520	6.6
56.96553	1.6
57.03441	3.3
61.02920	4.6
65.36951	1.1
67.05496	14.3
69.03426	4.4
69.07061	6.6
70.01712	5.7
71.01340	1.3
71.05000	2.0
73.02905	3.4
79.05491	12.7
81.03413	6.1
81.07064	13.5
82.07383	1.8
83.04987	3.2
83.08618	4.0
85.02905	6.9
90.08558	1.6
91.03956	2.7
91.05479	9.3
92.05788	2.5
93.07051	12.3
94.07381	1.5
95.04969	5.0
95.08617	7.7
96.05264	1.4
97.02896	7.3
97.06554	1.5
97.10162	2.7
98.21404	1.5
101.02368	1.9
105.07047	7.5
107.04951	2.6
107.08584	5.2
109.06501	2.9
109.10109	2.5
111.04472	1.4
111.08113	1.2
113.56570	1.0
117.07018	2.5
118.06516	1.1
119.08591	5.1
121.06451	1.6
121.10133	4.6
125.09589	1.8
127.03895	1.2
129.05333	1.1
129.06999	3.1
131.08586	3.5
133.10126	3.9
135.07927	1.3
135.11693	5.0
141.48944	1.1
145.10135	5.1
147.11653	3.1
148.11971	1.1
149.09583	1.2
157.10184	2.0
159.11710	1.3
159.19571	1.0
162.09216	1.2
163.11137	5.0
181.12138	1.1
211.13313	1.4
212.13716	1.3
227.12756	3.7
243.08376	6.2
249.10994	7.6
267.15854	1.9
285.10214	1.3
285.16989	2.6
286.17340	1.9
291.19644	3.0
292.19516	1.7
305.13580	2.7
331.18848	1.1
333.20132	1.6
465.20825	1.9
467.18961	13.9
549.26666	5.7
551.28302	2.0
559.35858	1.3
560.36389	1.8
578.37042	1.3
775.38763	100.0
776.38971	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	775.251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.2
57.03429	0.2
57.73346	0.2
60.05639	0.3
65.03946	0.3
67.05452	0.2
68.99793	0.2
69.03419	1.5
70.06588	0.4
70.49363	0.4
71.49885	0.2
72.08150	0.2
73.02913	0.2
79.05484	0.2
81.03420	1.2
81.07056	0.2
85.02899	1.7
86.09732	0.2
87.00797	0.2
87.04477	0.2
87.06181	0.2
87.06715	3.6
91.04913	0.3
91.05482	5.5
95.04950	0.2
95.08613	0.3
97.02894	1.4
98.97575	0.3
99.04442	0.4
107.04902	0.3
109.02890	1.4
111.04454	0.3
111.06686	0.4
113.04614	0.4
115.03936	0.4
119.04957	0.4
123.04443	0.3
126.03008	0.3
127.03930	1.4
131.04893	0.3
136.07553	0.2
137.05867	0.3
141.04053	1.2
142.04897	0.8
143.05641	100.0
144.04114	0.2
144.06038	0.3
145.02885	0.2
145.04961	0.3
147.04449	0.4
151.03906	0.2
155.05621	0.3
167.05661	1.0
167.07063	0.9
175.03934	0.3
177.05461	0.5
181.05032	0.3
185.06693	1.6
191.14241	0.2
207.06598	0.5
213.04005	0.3
233.10320	1.4
269.08908	0.3
275.09854	0.2
305.10904	1.8
357.08316	0.2
373.09885	2.2
433.11856	0.5
467.09790	0.5
499.13113	2.1
517.14093	2.2
535.15216	5.6
643.20862	6.8
644.20770	0.2
667.19116	1.3
775.24908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
55.05515	23.9
57.03441	19.6
57.07095	1.8
62.95896	1.3
65.03960	2.9
67.05505	78.4
69.03432	4.7
69.07073	16.3
70.73405	2.9
70.73760	2.5
71.04992	4.2
79.05493	48.5
81.03421	100.0
81.07058	72.8
83.04980	8.0
83.08621	24.2
85.02877	2.0
85.06528	1.9
91.05482	41.9
93.07047	48.0
95.04969	31.5
95.08606	43.3
95.89928	1.5
97.02924	3.9
97.06543	4.9
97.10181	7.7
105.07032	29.6
105.07689	2.4
107.04954	9.5
107.08599	30.0
109.06531	6.1
109.10157	22.8
111.04447	2.0
111.08106	8.1
117.07015	8.1
119.08593	23.8
121.06503	4.8
121.10150	26.3
123.04427	2.5
123.08077	4.1
123.11691	8.3
124.45930	1.4
125.09637	3.8
129.07010	13.6
131.08560	22.5
133.06502	4.2
133.10136	15.0
135.08163	1.5
135.11693	16.2
137.09662	2.8
137.13237	1.8
142.07796	3.1
143.08551	3.2
145.10135	11.8
147.08035	2.9
147.11696	14.6
149.09630	6.0
149.13316	7.8
157.10129	12.4
159.11664	9.3
161.13298	3.1
163.11151	1.8
163.14830	5.0
165.12759	2.4
169.10031	2.1
171.11737	2.5
173.13272	6.9
175.11218	9.9
175.14844	3.2
187.14838	4.2
189.11211	3.5
191.14310	1.8
193.12260	24.9
199.14883	1.8
227.12773	6.3
243.21053	7.4
247.17041	1.6
249.14920	1.9
261.22153	19.7
267.15921	99.0
301.25244	7.3
309.16959	3.4
317.24686	3.6
335.25812	91.1
336.26190	2.4
403.25107	1.7
435.27286	1.7
435.32486	4.5
453.33643	8.4
471.34610	4.9
527.37335	60.9
545.38397	43.8
569.38318	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	774.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
55.05512	24.1
56.96165	2.5
57.03435	10.5
57.07078	4.9
61.02926	7.0
65.03928	3.3
65.99940	2.6
67.05510	71.3
68.69383	2.7
69.03423	8.5
69.07067	23.4
71.04992	36.9
71.60043	5.2
73.02896	3.8
79.05493	51.8
81.03418	7.0
81.07060	100.0
83.04985	7.4
83.08619	13.9
84.50823	2.4
85.02908	6.7
85.06557	9.4
91.03938	3.2
91.05489	71.7
93.07047	60.8
95.04972	11.2
95.08607	35.3
97.02868	3.9
97.06544	11.1
97.10172	5.8
99.08068	3.8
105.07034	51.5
107.04985	4.7
107.08604	33.5
109.06522	4.7
109.10172	16.2
111.08056	3.5
116.62356	2.4
117.07013	17.0
119.08599	40.3
121.06532	3.6
121.10152	19.2
123.11709	11.7
125.09609	4.2
129.05560	2.6
129.07048	8.5
131.08565	27.3
133.10130	44.8
135.11705	15.0
143.08597	9.1
144.01030	2.8
145.10132	26.0
147.11699	21.7
149.09625	5.8
149.13295	12.2
151.11214	6.4
157.10103	12.3
159.11702	20.6
161.13260	12.6
169.10115	3.7
171.11737	12.2
173.04530	3.1
173.13280	9.9
175.14848	4.4
177.12823	5.6
181.10248	2.7
183.11748	3.3
183.13806	3.4
185.13277	8.3
187.14792	3.4
195.13716	3.0
199.14890	3.8
241.19641	6.2
243.16055	3.7
257.17126	4.7
259.20685	25.9
267.15939	3.9
269.17545	7.9
275.19983	2.9
275.48624	2.8
301.20071	24.1
315.23221	7.5
324.37848	2.7
333.24313	30.6
335.25833	7.1
405.00314	2.8
409.31119	6.2
426.04578	2.6
427.31876	3.3
427.63104	3.4
435.32547	11.0
466.20996	3.0
483.34637	9.7
501.35782	79.9
503.37210	5.1
509.36075	2.9
527.37292	46.4
533.38159	4.1
545.38446	5.1
550.27380	3.3
559.40259	22.2
774.41223	58.4
775.41284	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	774.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	13.3
55.05265	2.9
55.05510	34.4
56.96557	4.0
57.03439	22.9
59.04981	2.7
61.02924	3.7
65.03932	5.0
67.05506	78.5
69.03431	14.7
69.07069	36.9
69.27979	19.6
69.28385	4.1
71.04989	12.8
73.02899	4.3
79.05490	74.3
81.03419	66.0
81.07055	100.0
82.07399	2.7
83.04974	23.1
83.08623	33.1
85.02901	22.0
85.06541	6.0
91.04898	3.7
91.05479	76.4
93.06486	3.9
93.07041	65.3
95.04965	37.4
95.08601	40.1
96.08874	2.8
97.02866	7.7
97.06525	26.1
97.10174	12.7
99.04479	2.3
105.07027	55.6
107.04958	18.6
107.08586	45.5
109.02860	3.0
109.06522	14.6
109.10150	15.3
111.04426	5.4
111.08080	14.2
113.05986	3.6
115.07579	3.8
117.07018	20.0
119.07795	3.9
119.08577	40.7
121.06498	7.3
121.10129	25.6
122.10407	2.2
123.08073	7.2
123.11694	7.0
125.09637	14.3
127.03909	4.0
129.06992	17.9
131.08569	30.3
133.06447	5.7
133.10121	33.9
135.08044	9.7
135.11690	15.2
136.11996	3.2
137.09595	4.7
141.07008	2.8
142.07758	3.3
143.08528	7.0
145.06453	2.4
145.10130	21.9
147.08040	5.4
147.11678	24.4
149.09599	19.6
149.13257	10.3
151.11186	5.2
155.08524	2.8
157.10147	16.8
159.11664	14.1
161.09608	4.5
161.13261	4.7
163.11180	12.6
165.12785	6.3
169.10138	2.9
171.11685	4.7
173.13284	5.5
175.11125	16.3
177.12686	7.2
179.14331	5.6
181.12164	3.3
183.11549	2.6
185.13260	2.4
187.11226	2.8
189.11188	5.8
193.12228	40.8
195.13756	6.0
203.14565	2.1
211.13290	46.4
217.15970	2.5
227.12796	21.8
228.13101	4.6
229.19557	3.3
239.18010	3.0
253.14403	2.6
255.15825	6.1
257.19019	10.2
267.15897	31.4
269.17465	22.8
270.17587	2.4
273.18451	5.5
273.72009	2.2
275.20029	34.4
276.20419	3.7
283.15442	3.7
285.16943	48.3
291.19623	5.1
293.21082	4.8
301.16409	4.1
349.23737	39.7
365.23105	5.3
367.24927	3.4
437.25055	3.3
439.26907	3.1
447.27377	5.5
455.26312	3.1
461.29230	10.9
463.30588	6.9
465.28287	13.7
477.28821	2.6
479.23499	4.0
479.30008	63.1
482.86542	2.2
485.31982	2.7
541.35321	37.0
559.36243	57.1
577.36676	7.8
623.34662	2.6
774.48334	2.8
777.03210	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.7
55.05271	2.3
55.05514	37.0
56.96548	2.8
57.03437	24.7
57.07055	3.1
61.02916	6.4
65.03937	4.1
67.05505	86.8
69.03434	12.6
69.07072	33.7
71.05019	15.2
73.02885	2.3
79.05495	70.7
81.03422	82.0
81.07059	100.0
82.07372	2.7
83.04985	25.1
83.08618	40.8
85.02901	33.6
85.06550	3.7
86.37067	1.9
88.45285	1.8
89.59922	1.7
91.03931	2.7
91.05480	76.9
93.07047	72.5
95.04961	40.9
95.08614	38.5
97.02882	10.9
97.06523	18.9
97.10152	13.9
99.08079	6.3
103.05456	2.0
105.07030	57.8
107.04964	16.0
107.08605	41.9
109.02908	2.5
109.06537	11.5
109.10149	13.6
111.04466	4.7
111.08082	16.2
113.06001	4.5
117.07037	20.5
119.07803	3.4
119.08582	43.8
121.06511	5.5
121.10154	29.3
123.08054	8.1
123.11703	5.6
125.09618	8.6
127.03914	2.2
129.05481	2.1
129.06999	17.4
130.07718	2.2
131.08566	32.6
133.06479	8.4
133.10136	33.8
135.08083	5.1
135.11681	19.9
137.05952	2.6
137.09636	5.1
141.07002	2.2
142.07739	4.1
143.08551	5.8
145.10126	17.9
147.04344	1.9
147.08064	6.3
147.11684	24.0
149.09631	17.6
149.13252	13.4
151.11185	4.6
155.08549	3.3
157.10117	20.9
159.11673	16.8
161.09615	4.3
161.13298	4.9
163.11209	10.2
165.12750	6.1
169.10114	3.1
171.11674	3.9
173.04454	1.9
173.13234	4.7
175.11194	18.7
177.12756	6.1
179.14276	3.1
181.12241	2.4
183.11745	3.5
185.13263	3.9
189.11200	6.2
193.12248	47.9
193.13895	3.8
194.12598	2.3
195.13788	6.3
197.13280	2.4
211.11328	3.4
211.13283	56.0
212.13617	3.9
213.14745	2.2
227.12863	11.6
233.63576	2.1
239.17941	2.8
247.69469	2.2
251.16493	2.4
255.15887	14.0
257.19052	10.5
267.15894	47.0
269.17480	49.2
273.18484	2.6
275.20074	23.6
282.12292	2.0
285.16965	62.3
291.19620	5.2
293.20941	2.1
331.22498	2.5
343.85654	2.3
349.23685	20.0
367.24890	2.6
385.83054	2.0
443.27444	2.6
447.27521	15.7
461.29086	40.2
462.29962	2.5
463.30521	2.3
465.28513	13.8
479.30054	81.5
480.30087	3.5
523.34729	2.1
541.35126	15.2
559.36426	25.1
577.37280	5.2
623.34619	2.3
686.08380	2.0
774.46478	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	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.5
55.05508	45.2
57.03432	25.6
61.02918	6.3
65.03925	3.1
67.05502	92.3
69.03420	14.5
69.07068	45.0
70.86419	7.4
71.04983	10.6
79.05489	82.0
81.03414	100.0
81.07055	93.9
81.64607	2.7
83.04986	35.7
83.08609	40.0
85.02902	31.3
85.06538	6.7
91.05479	98.1
93.07037	77.5
93.07625	4.6
95.04973	51.1
95.08614	40.2
97.02877	11.4
97.06519	27.2
97.10162	21.1
99.08132	3.6
105.04514	3.7
105.07015	65.2
107.04936	17.1
107.08589	56.4
109.02869	4.4
109.06519	16.3
109.10168	17.5
111.04454	7.3
111.08099	20.5
113.06027	6.5
115.05457	5.7
117.07008	19.7
119.08578	50.2
121.06501	10.5
121.10130	26.3
123.08061	4.4
123.11678	5.5
125.09621	16.5
127.03884	4.8
129.06998	20.8
131.08559	38.1
133.06522	6.1
133.10130	39.5
135.08031	9.3
135.11664	16.6
137.09557	4.4
141.06934	3.0
142.07764	5.5
143.08597	7.0
145.10126	25.8
147.08043	5.5
147.11670	32.9
149.09633	24.9
149.13264	8.5
150.61649	2.9
151.11203	4.8
154.27873	3.1
155.08583	3.8
157.10124	26.4
159.11690	13.9
161.09557	3.2
161.13295	6.0
163.11162	9.8
165.12764	7.2
169.10077	5.0
171.11690	4.4
173.13280	6.9
175.11157	22.8
177.12897	6.5
179.14302	4.7
181.10088	2.9
183.11682	4.6
185.13313	4.2
189.11221	7.3
193.12244	65.6
195.13831	3.3
197.13269	3.2
211.13268	89.5
211.15259	4.8
227.12746	23.2
239.17982	5.3
255.15891	3.1
257.19028	16.7
267.15936	45.5
269.17557	19.7
275.20044	54.6
285.16959	81.2
293.20987	4.7
331.22440	4.2
349.23734	58.7
437.25534	3.6
439.27078	4.8
447.27399	7.8
455.26563	6.4
461.29202	18.3
463.30353	3.6
465.28436	9.4
479.30118	58.4
541.35388	27.9
559.36224	59.9
560.36328	3.9
577.37415	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	773.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.2
55.05515	27.1
57.03431	13.4
57.07072	5.3
61.02933	16.5
65.03932	5.0
67.05503	80.6
69.03423	9.9
69.07074	23.6
69.67373	14.8
71.04979	6.5
73.02920	4.2
79.05067	2.1
79.05491	59.1
79.96745	1.8
81.03407	5.9
81.06579	5.0
81.07060	82.1
83.04980	4.1
83.08640	11.2
85.02902	10.8
85.06532	3.7
91.03945	4.5
91.05479	60.5
93.06474	4.2
93.07048	69.3
95.04974	12.2
95.08604	56.3
95.09089	1.3
97.02900	9.2
97.06514	3.6
97.10135	3.0
99.08092	3.9
102.95361	2.0
105.07031	53.0
107.08596	38.2
109.06497	5.5
109.10164	17.5
111.08111	2.3
115.05452	2.3
117.07001	22.3
119.08585	48.5
121.06503	2.0
121.10139	28.4
123.08025	2.9
123.11714	10.6
127.03920	3.5
128.06183	2.2
129.07037	14.4
131.08566	32.0
133.10123	37.3
135.08023	2.6
135.11682	21.8
141.06996	3.0
143.08554	14.2
145.10103	27.5
147.11697	29.6
149.13237	11.6
155.08566	7.5
156.09435	3.1
157.10138	18.9
159.08174	2.1
159.11705	24.0
161.09605	3.1
161.13246	32.6
163.14774	3.8
164.54204	2.1
167.08495	2.7
169.10103	6.8
171.11687	15.9
173.13242	14.6
175.14841	15.4
177.16512	2.1
177.93195	2.4
181.10068	3.9
183.11710	8.3
185.09529	2.8
185.13245	10.9
187.14774	7.6
195.11676	4.6
197.13286	5.8
199.14864	6.6
201.16335	4.4
213.16428	4.5
215.17844	2.1
219.43646	2.3
223.14900	2.4
225.90558	2.6
231.21150	4.1
239.17987	3.5
241.19519	26.1
243.21175	3.6
257.19003	8.1
259.20566	46.2
261.22186	8.2
266.65948	2.6
287.32159	2.7
301.21512	3.5
313.21564	3.1
315.22977	3.8
317.25122	2.5
333.24249	35.8
335.25809	76.4
337.27512	3.2
343.26355	2.8
351.25409	2.9
367.22653	4.8
403.24768	3.0
519.42328	5.0
537.42792	2.9
541.39069	3.8
593.03241	2.4
593.45428	9.9
609.45026	6.3
611.46716	100.0
623.46631	4.4
719.48291	4.9
737.49261	6.0
755.50299	2.9
773.52319	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	773.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.3
55.05512	25.6
57.03438	10.7
57.07068	5.1
61.02929	15.1
67.05502	68.1
69.03432	14.7
69.07066	23.8
71.04974	3.8
73.02917	6.8
79.05064	3.9
79.05495	53.3
80.05816	2.4
81.02951	1.9
81.03415	11.8
81.07054	68.3
83.04978	3.6
83.08604	9.9
85.02903	13.6
85.06527	2.4
86.30302	2.0
91.03939	6.8
91.05478	52.9
93.07040	59.8
95.04969	10.4
95.08605	54.7
95.09068	1.4
97.02885	10.3
97.06525	5.6
97.10170	7.0
99.08085	2.8
105.07028	51.9
107.08585	35.3
109.02892	3.6
109.10154	21.6
114.21186	2.2
115.05459	3.5
117.07005	17.6
119.08584	46.9
121.10130	26.7
123.08053	3.7
123.11713	5.7
125.09618	3.5
127.03909	6.0
128.06206	4.8
129.05510	2.5
129.07004	14.8
130.79674	2.1
131.08569	33.6
133.09241	3.2
133.10143	37.9
135.11687	23.7
137.09695	2.7
141.07010	6.6
143.08571	20.6
144.09322	2.6
145.10129	26.7
147.08057	2.2
147.11705	32.0
149.09587	2.7
149.13277	11.7
151.11192	2.3
155.08594	7.7
156.09328	2.8
157.10127	17.5
159.11685	24.8
161.09586	2.8
161.13249	21.2
163.11172	2.5
163.14868	3.6
165.09100	2.6
167.08600	3.4
169.10121	12.0
171.11700	18.7
173.13287	16.9
175.14813	9.6
181.10048	4.7
183.11697	7.6
185.13261	8.8
187.14833	8.2
189.12764	3.2
195.11635	3.3
197.13245	7.0
199.14850	7.9
201.16420	5.8
207.11812	2.6
209.13120	2.7
211.14847	4.6
213.16385	5.1
215.17847	3.3
223.14693	2.9
227.17868	2.7
229.19666	2.9
231.20958	3.1
239.17999	2.6
241.19576	15.2
257.18945	6.0
259.20557	38.2
261.22083	4.7
274.40659	2.3
275.20169	4.9
275.23172	2.4
276.20340	2.6
301.21631	3.5
325.21680	3.2
333.24304	21.8
335.25763	51.9
337.26630	2.2
367.22354	2.7
385.23792	3.7
403.24591	2.8
441.26889	2.3
519.41925	4.9
523.37842	2.6
593.45453	7.0
609.44989	4.7
611.46649	100.0
635.46942	2.6
701.47803	4.8
737.49945	3.3
755.50922	5.3
773.51031	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	773.519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.9
55.05513	28.1
57.03421	10.8
57.03685	3.3
57.07072	4.6
57.64202	3.2
58.25418	3.1
61.02921	15.9
67.05176	6.4
67.05505	80.9
69.03426	12.6
69.07071	24.6
71.04976	5.9
71.52865	5.0
73.02913	6.4
77.03905	3.2
79.05497	57.3
79.29878	3.1
80.05793	3.5
81.03410	14.5
81.07059	82.7
83.04967	7.4
83.08624	14.9
85.02921	18.8
85.06554	4.8
88.46257	3.4
91.03947	6.0
91.05476	52.7
93.07042	67.5
95.04968	13.4
95.08605	62.3
97.02885	14.9
97.06512	5.9
97.10139	6.9
100.47178	3.0
105.07024	59.3
107.08594	45.8
109.02887	3.3
109.06481	5.0
109.10167	26.9
111.08086	3.7
115.05420	4.9
117.06992	20.4
119.08588	46.5
121.06520	3.4
121.10134	35.5
123.08067	4.6
123.11705	6.3
129.06995	14.7
131.08560	36.3
133.10129	33.5
135.11690	19.2
137.09590	3.9
141.06964	4.2
142.07730	5.0
143.08482	17.9
145.10112	34.0
147.11685	34.3
149.09619	3.4
149.13254	13.1
155.08580	9.1
157.10101	14.5
159.11708	25.9
161.09691	4.3
161.13243	17.2
163.14861	4.2
168.56622	3.7
169.10132	11.2
171.11691	17.9
173.13272	24.9
175.14825	13.1
181.10117	6.4
183.11601	6.5
185.13245	11.2
187.14825	8.6
195.11723	5.0
197.13281	8.3
199.14877	8.0
209.13168	3.9
211.14786	5.6
213.12831	3.0
213.16391	3.7
215.17793	3.2
229.19559	4.6
231.20972	3.7
241.19522	21.3
243.21133	7.2
257.19070	6.9
259.20566	34.2
261.22134	5.8
275.20001	7.5
301.21661	6.3
315.23148	4.7
328.02142	3.4
333.24188	27.6
335.25778	64.9
337.27188	3.3
349.74924	3.8
494.48859	3.5
519.41913	3.2
593.45294	11.0
609.44684	7.0
611.46692	100.0
737.50177	5.2
755.49896	6.1
773.50934	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	773.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
55.05497	0.5
57.03418	0.4
59.04997	0.2
60.05629	0.2
61.02915	0.2
67.05495	0.7
68.99779	0.2
69.03427	1.1
69.07056	0.4
70.06582	0.3
70.74137	0.5
71.04977	0.4
73.02905	0.1
79.05499	0.9
81.03422	1.9
81.07057	1.6
82.83827	0.1
83.04975	0.3
83.08604	0.4
85.02905	1.3
86.09720	0.1
86.36374	0.1
87.00820	0.4
87.04447	0.2
87.06715	3.3
91.04018	0.1
91.05481	1.4
93.07052	1.1
93.17525	0.1
95.04939	0.5
95.08597	0.6
97.02888	1.2
97.06539	0.2
97.10171	0.2
99.04461	0.4
103.03967	0.2
105.07026	1.1
107.04935	0.3
107.08598	0.9
109.02877	1.9
109.06536	0.1
109.10164	0.7
111.04421	0.3
113.04604	0.3
117.06979	0.2
119.04944	0.4
119.08596	0.9
121.06495	0.2
121.10136	0.6
123.04436	0.3
123.08048	0.1
123.11677	0.3
125.04592	0.1
125.09603	0.2
127.03913	1.7
129.01747	0.2
131.04967	0.1
131.08482	0.2
133.10123	0.5
135.08012	0.1
135.11685	0.5
137.05966	0.4
141.01797	0.2
141.04086	1.0
142.04872	0.4
143.05640	100.0
144.05974	0.4
145.02884	0.3
145.04945	0.3
145.10139	0.3
147.04393	0.5
147.11700	0.5
148.64609	0.1
149.09650	0.2
149.13239	0.2
151.03970	0.2
153.03748	0.1
155.05624	0.2
157.10162	0.2
159.11720	0.2
161.09637	0.2
163.11118	0.2
163.14735	0.2
167.05685	0.4
167.07056	0.8
173.09615	0.2
175.03925	0.5
175.14842	0.3
177.05438	0.4
185.06680	0.9
193.12135	0.2
194.12413	0.2
203.17973	0.3
207.06520	1.0
208.06873	0.2
211.13206	0.2
213.03845	0.2
231.05107	0.2
267.15945	0.3
271.06302	0.2
287.05579	0.3
295.06058	0.2
305.10913	1.7
339.07156	0.1
357.07928	0.1
373.09854	2.0
433.11783	0.7
451.23270	0.3
463.10791	0.2
481.11908	0.3
499.13074	2.6
504.18863	0.2
517.14160	2.3
535.15173	6.5
553.16254	1.4
589.73383	0.1
755.33313	0.8
773.34479	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.1
55.05505	0.3
57.03424	0.2
58.06207	0.1
60.05651	0.2
60.25903	0.1
61.02930	0.2
67.05181	0.1
67.05487	0.6
68.99771	0.2
69.03430	0.9
69.07059	0.2
71.04993	0.2
71.11977	0.2
73.02924	0.1
79.05493	0.8
81.03420	1.5
81.07063	1.3
83.02475	0.1
83.04995	0.1
83.08629	0.2
85.02917	1.2
87.00834	0.3
87.06718	3.3
91.05490	0.8
93.07043	0.7
94.04684	0.1
95.04967	0.4
95.08614	0.6
95.48165	0.1
97.02906	1.1
97.06548	0.2
97.10094	0.1
99.04463	0.3
101.03493	0.1
103.55545	0.1
105.07023	0.7
107.04949	0.2
107.08597	0.7
109.02891	1.8
109.06498	0.1
109.10159	0.4
111.04417	0.2
111.06715	0.1
113.04593	0.3
119.04964	0.3
119.08602	0.5
121.10146	0.4
123.04475	0.1
123.11777	0.1
125.02370	0.1
125.03458	0.1
125.04530	0.2
126.02997	0.2
127.03911	1.5
129.01836	0.2
131.08601	0.1
133.10167	0.4
135.11697	0.5
137.05977	0.2
141.01816	0.1
141.04092	1.4
142.04874	0.3
143.05646	100.0
144.06027	0.3
145.02878	0.1
145.04962	0.3
147.04439	0.4
147.11719	0.5
151.03914	0.2
155.05681	0.2
157.10098	0.1
161.06001	0.2
165.05482	0.1
165.12712	0.1
167.05684	0.3
167.07076	0.6
171.11697	0.1
175.03899	0.5
177.05495	0.3
185.06703	1.0
203.17975	0.2
207.06590	0.9
209.06694	0.2
213.03932	0.2
221.18956	0.2
231.05016	0.2
233.06656	0.1
242.26561	0.1
251.07658	0.2
271.06158	0.1
278.64429	0.1
287.05655	0.1
287.10056	0.1
305.10898	2.5
337.07712	0.1
357.08286	0.2
367.07492	0.1
373.09921	2.0
433.12134	0.6
451.23044	0.3
463.10666	0.1
476.27103	0.1
481.12262	0.3
499.13098	2.7
517.06439	0.1
517.14154	2.2
535.15204	6.4
536.15503	0.2
553.16235	1.4
563.14441	0.1
755.33203	0.4
773.34302	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18222	0.2
55.05500	0.3
57.03445	1.0
65.03922	0.4
67.05508	0.4
68.99783	0.3
69.03400	0.8
69.07069	0.3
70.06576	0.6
71.04996	4.7
71.60567	0.3
71.68527	0.2
73.02896	0.5
75.04482	0.3
79.05474	0.5
81.03401	0.7
81.07039	0.7
83.04948	0.3
85.02910	6.3
86.09681	0.3
87.04451	0.2
87.06702	0.3
89.06039	0.3
91.05484	1.7
93.07055	0.5
95.04954	0.7
95.08566	0.3
97.02856	0.5
99.04411	0.2
102.04661	0.6
103.05488	0.6
105.07036	1.1
107.04939	0.5
107.08562	0.4
109.02829	0.4
109.06457	0.3
109.10172	0.3
110.03660	0.7
111.04430	0.5
115.05452	0.3
116.07065	0.3
117.06998	0.3
119.04913	1.6
119.08590	0.3
121.02835	0.4
121.06513	0.4
121.10129	0.4
122.05981	0.3
123.04399	0.3
123.11709	0.2
124.05172	0.3
125.05978	0.5
127.03926	0.5
129.05489	1.1
130.04143	0.7
131.04886	0.7
133.02838	0.6
133.06502	0.2
133.10156	0.4
135.04457	0.3
136.05180	0.8
137.05983	1.7
143.05647	10.2
145.02863	0.8
146.03644	1.7
147.04431	2.1
147.11644	0.3
148.05188	2.7
149.05963	0.4
151.07579	0.3
153.01819	2.4
161.06001	2.1
161.13289	0.2
162.06729	0.9
163.03867	0.9
167.07045	2.0
171.02895	0.4
173.09622	0.2
175.03879	1.0
177.05469	1.2
180.07956	0.3
181.04913	0.6
181.08563	0.3
191.07007	0.4
201.05432	0.3
203.03291	1.2
203.17883	0.2
207.06525	2.1
208.06905	0.2
213.05420	0.2
229.04942	1.8
242.05733	5.3
243.11311	0.4
253.05005	1.7
255.06541	0.3
257.04462	33.6
258.05240	8.2
259.05954	0.3
266.05536	0.2
269.04514	0.8
270.05292	1.7
271.06088	1.3
283.05942	0.7
285.03970	5.5
285.12393	0.5
286.04730	23.0
287.05511	10.8
295.06058	0.5
297.03946	3.3
299.05539	1.1
300.06216	0.3
307.06024	0.3
313.10977	0.2
323.05426	0.3
327.04883	1.3
341.06516	1.3
373.07098	0.6
375.08661	0.5
387.08707	0.5
391.07855	0.4
403.08167	0.8
415.08087	0.4
417.15436	0.4
432.08270	2.3
435.10794	4.4
447.10782	23.7
448.11194	0.7
465.11832	100.0
466.12076	1.9
535.15082	0.6
553.16229	0.6
581.91040	0.2
611.34662	0.2
622.42609	0.3
627.17133	22.4
628.17419	0.4
677.69220	0.2
749.68488	0.2
773.21899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2129
Annotation	Quercetin 3-(3R-glucosylrutinoside)
Peak:m/z	Relative Intensity
55.01861	0.3
55.05499	0.2
57.03429	1.5
61.02938	0.5
61.03202	0.1
65.03922	0.1
68.99787	0.2
69.03419	1.2
71.01328	0.1
71.04988	8.4
71.59306	0.1
71.59635	0.2
73.02910	0.3
75.04468	0.4
79.21334	0.1
80.62906	0.1
81.03414	0.7
83.04974	0.5
85.02896	12.1
85.63995	0.1
87.04455	0.3
90.75928	0.1
93.03394	0.2
95.04980	0.2
97.02879	1.1
99.04445	0.3
103.04025	0.1
107.04977	0.1
109.02869	0.5
111.00806	0.5
111.04415	0.4
121.02871	0.7
123.04401	0.2
127.03902	1.0
129.05472	2.8
135.04419	0.1
137.02335	2.3
145.04936	0.7
145.06587	0.1
147.04390	0.1
147.06494	0.8
149.02328	0.3
151.03897	0.3
153.01820	3.0
155.04852	0.1
163.03865	0.5
165.01817	1.6
166.02676	0.2
171.02957	0.1
173.05975	0.1
177.05502	0.1
183.02930	0.6
183.04347	0.1
187.03970	0.1
190.21974	0.1
195.02853	0.1
201.05453	0.9
203.03297	0.1
205.04924	0.1
207.02972	0.1
213.05511	0.1
215.03542	0.1
219.02957	0.2
219.06512	0.1
229.04941	2.9
247.06035	0.7
257.04434	2.2
262.26221	0.1
271.72406	0.1
274.04727	0.7
275.05338	0.2
285.03909	1.2
303.04956	100.0
304.05295	1.9
315.04816	0.2
333.08035	0.1
345.05984	0.4
369.05951	0.2
447.08737	0.1
449.10614	0.2
465.10257	23.8
466.10477	0.7
611.15808	0.2
627.15265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2136
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01865	0.1
55.05481	0.1
57.03438	1.2
60.48337	0.1
61.02922	1.3
68.99773	0.3
69.03382	0.5
70.06571	0.1
71.04993	8.0
71.26974	0.2
73.02875	0.5
74.46490	0.1
75.04438	0.4
81.03386	0.4
83.05000	0.5
84.65303	0.1
85.02905	10.9
87.04443	0.2
91.03959	0.9
91.05466	0.2
95.04928	0.1
97.02885	1.1
99.04424	0.2
101.02355	0.1
109.02834	0.4
111.00800	0.7
111.04389	0.4
115.03909	0.1
121.02850	0.6
123.04384	0.3
127.03929	0.6
129.05484	2.3
135.04320	0.2
137.01378	0.2
137.02327	2.2
139.03923	0.1
143.05635	1.6
145.02858	0.1
145.04922	0.5
145.06377	0.1
147.04427	0.3
147.06499	0.8
149.02312	0.4
153.00592	0.1
153.01814	2.3
159.04347	0.1
161.05933	0.3
163.03873	0.5
163.05919	0.2
165.01810	1.7
166.02617	0.2
173.05991	0.3
177.05524	0.1
183.02936	0.7
187.03928	0.2
191.07066	0.1
191.53003	0.1
195.02953	0.1
201.05489	1.0
207.06415	0.1
219.06609	0.2
229.04973	3.1
247.06062	0.6
257.04434	2.2
274.04712	0.7
275.05493	0.2
283.18594	0.1
285.03946	1.0
303.04974	100.0
304.05322	1.2
315.04938	0.3
329.81503	0.1
345.06113	0.4
369.06058	0.2
381.67532	0.1
429.07968	0.1
447.09009	0.2
449.10812	0.2
465.10300	19.7
466.10922	0.3
487.21414	0.1
631.20886	0.1
773.25568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.3
55.05510	24.3
56.05037	5.4
56.96561	2.0
57.03441	15.1
58.02964	2.8
58.06601	100.0
61.02926	15.3
65.03954	4.3
67.05502	65.3
68.05032	3.9
69.03428	11.5
69.07067	23.8
70.06592	34.5
70.86263	5.5
71.04986	6.0
72.04145	3.7
72.04516	47.5
72.08167	2.9
73.02916	6.0
74.06135	1.9
79.05493	50.7
80.94055	2.0
81.03432	14.3
81.07055	59.8
82.06573	4.5
83.04971	6.6
83.08624	11.3
84.04507	3.0
84.08136	15.7
85.02901	17.2
85.06540	2.5
86.06069	76.9
86.09666	2.5
88.07645	3.1
91.03946	4.8
91.05479	44.8
93.07044	49.1
94.06567	4.7
95.04946	14.8
95.08608	34.4
96.08155	2.8
97.02901	11.8
97.06521	8.4
97.08955	2.2
97.10169	7.7
97.41183	2.1
98.06046	8.8
98.09695	6.6
102.05537	4.7
103.05479	2.6
105.07037	28.9
107.04947	8.2
107.08606	28.9
107.52121	1.9
109.06515	6.0
109.10158	22.0
110.06022	3.0
110.09686	2.3
111.08086	3.6
116.07088	17.5
117.07008	10.1
119.05002	2.4
119.08583	22.0
120.80550	1.9
121.10135	21.2
123.08075	4.3
123.11715	2.6
125.09611	5.3
125.63181	1.8
128.10741	5.0
129.05513	2.6
129.07010	4.7
131.08519	14.0
133.06509	3.5
133.10156	17.2
133.78639	2.1
135.08063	7.4
135.11679	7.4
137.09592	3.5
139.11212	2.5
141.15121	1.9
143.08577	5.8
145.10127	6.4
147.08067	5.9
147.11731	9.6
149.09650	6.2
149.13211	4.0
151.11186	4.2
157.10130	3.1
159.08009	2.5
159.11681	2.9
161.13312	2.7
163.11238	5.3
168.13788	12.9
169.10153	2.4
171.11679	2.8
173.13194	2.2
175.11244	5.2
177.12674	2.5
178.12323	3.8
180.13837	3.7
191.10707	3.0
192.13104	2.2
193.12259	4.3
196.13342	16.8
196.16971	3.8
197.13983	2.7
198.14886	38.3
211.13260	6.2
212.16483	3.0
216.15990	4.0
222.14964	2.9
223.13287	3.4
227.12735	4.5
229.14351	6.9
240.15912	4.9
242.17458	3.3
253.14226	4.6
260.18695	4.7
267.15900	6.7
269.17490	7.5
270.17050	8.5
271.17044	2.7
272.18552	4.1
273.18518	4.4
275.20160	5.3
283.15491	10.3
285.17014	5.8
288.17990	6.1
289.18341	2.5
290.19644	8.7
291.19617	14.2
314.19412	2.0
330.13257	2.0
332.20566	2.5
335.25821	21.2
349.23660	2.8
365.23291	8.1
477.28433	3.2
495.75568	2.4
520.39990	10.6
530.38196	5.5
548.39465	31.3
549.40143	9.1
550.40765	10.1
557.34906	17.5
566.40424	25.6
574.40613	6.2
575.35785	21.7
592.42114	12.6
610.43127	58.7
682.45587	3.5
728.45758	13.3
772.48438	42.5
773.40588	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	14.8
55.05511	36.4
57.03430	20.6
58.06593	11.7
61.02916	5.8
65.03937	7.0
67.05502	81.2
69.03437	8.7
69.07062	34.5
70.06588	6.4
70.34211	5.0
70.34619	9.3
71.04977	5.0
79.05493	68.2
81.03416	44.3
81.06579	6.1
81.07055	100.0
83.04982	15.7
83.08629	27.6
85.02899	13.7
85.06554	4.3
86.06069	6.3
86.09721	5.8
91.05477	69.8
93.07048	80.1
95.04969	35.5
95.08049	4.7
95.08610	59.8
97.02889	11.9
97.06516	17.7
97.10178	14.1
105.07030	57.8
107.04977	21.2
107.08589	55.3
109.06526	25.6
109.10169	34.1
111.04477	4.0
111.08095	8.3
113.06006	4.4
115.05464	5.1
117.07019	18.8
119.04990	3.8
119.08584	47.1
119.61385	3.3
121.06500	8.6
121.10149	32.4
123.08089	6.9
123.11687	4.9
125.09643	7.6
129.07008	8.7
131.08585	20.5
133.06512	7.5
133.10121	50.0
135.08073	11.8
135.11684	36.6
137.09653	6.2
143.08543	5.2
145.10133	36.1
147.08044	10.3
147.11708	17.6
149.09633	13.8
149.13310	6.4
151.11186	17.2
155.08549	4.2
157.10159	14.2
159.08000	6.5
159.11725	10.7
161.09560	6.0
163.07536	4.0
163.11180	42.7
175.11188	12.4
181.12256	8.7
185.13194	4.1
187.11179	5.6
193.12238	17.8
196.13417	8.5
211.13226	19.2
223.13347	7.4
227.12817	52.1
228.02422	3.9
229.14246	5.9
253.14384	39.8
255.17503	4.6
257.18945	5.0
258.94177	3.8
267.15857	28.9
269.17444	7.0
270.16949	4.7
273.18484	20.6
275.20081	24.1
283.15378	54.9
285.17050	19.6
288.18127	6.7
289.18057	6.1
291.19495	36.2
293.21146	5.6
309.20520	4.0
335.25757	7.6
349.23880	19.8
365.23221	27.9
367.24817	18.2
418.09320	4.2
429.42322	3.9
463.26666	6.2
477.28494	6.5
539.33765	5.9
548.39624	25.3
557.34784	81.6
575.35742	88.1
592.42145	10.2
617.35406	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	772.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.2
55.05511	37.6
57.03440	15.4
57.07078	2.6
59.04996	3.1
61.02919	3.8
65.03939	5.0
65.27095	1.3
67.05506	52.0
69.03434	13.4
69.07069	36.5
71.05000	6.0
71.08642	1.5
73.02924	2.2
79.05495	49.6
81.02932	2.6
81.03416	51.5
81.07059	49.0
83.01361	1.6
83.04981	17.7
83.08617	27.6
85.02904	20.3
85.06536	3.1
87.04466	2.5
89.06040	6.1
91.03936	1.7
91.05480	49.2
93.07046	38.5
95.04967	30.4
95.08606	23.4
97.02888	13.7
97.06529	7.5
97.10168	17.4
99.04426	1.3
99.08105	1.5
103.05466	1.5
105.07032	36.7
107.04955	15.9
107.08599	24.6
109.02869	1.7
109.06516	10.0
109.10146	12.6
111.04453	5.8
111.08102	8.3
113.05997	3.1
115.05438	3.2
117.07016	12.6
119.04919	2.5
119.08582	31.2
121.06518	6.3
121.10149	14.5
123.04375	1.4
123.08066	6.9
123.11704	2.5
125.05980	1.9
125.09620	11.7
127.03925	2.4
128.06174	1.4
129.07014	10.8
130.07784	1.4
131.08577	20.2
133.06491	4.6
133.08597	2.3
133.10130	19.2
134.07269	1.2
135.08064	6.6
135.11665	7.4
137.05965	1.3
137.09602	2.9
139.11156	1.1
142.07799	3.3
143.08580	4.0
145.06519	2.1
145.10118	13.0
147.08018	7.8
147.11700	15.8
149.09622	8.6
149.13301	3.4
151.11226	2.1
153.01845	2.1
153.09077	1.4
155.08536	1.5
157.10130	14.8
159.08022	1.4
159.11697	4.3
161.09637	4.0
161.13332	2.0
163.11206	8.7
165.09064	1.7
165.12767	2.2
173.09631	1.8
173.13269	2.2
175.11188	14.8
177.12741	1.7
183.11665	1.2
189.11223	7.1
193.12248	29.6
195.13866	2.0
196.13347	1.7
199.15190	1.7
199.16884	8.3
200.17261	2.1
205.12228	1.7
209.11731	2.0
211.13275	47.5
223.13272	18.1
227.12755	10.8
245.18967	2.2
249.14984	3.8
253.14041	1.9
257.19009	1.7
267.15930	30.7
269.17596	5.8
273.18509	17.4
275.20135	6.2
283.15381	11.3
285.16959	45.1
289.18011	1.7
291.19540	100.0
309.20782	1.3
347.22372	2.3
349.23923	6.3
365.23227	43.1
385.23642	1.6
447.28506	1.3
459.26953	1.5
463.26886	2.7
477.28415	9.1
495.29514	2.3
507.29449	1.3
539.33759	2.1
548.39343	3.0
557.34784	41.7
575.35803	59.2
576.35510	1.7
592.42285	1.6
610.38574	1.1
754.46960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.2
55.05507	19.0
56.96572	0.8
57.03431	6.2
57.07062	2.5
59.04979	0.9
61.02927	1.8
62.46626	0.8
65.03934	1.9
67.05498	33.1
69.03428	3.6
69.07065	19.3
70.23858	3.5
71.04992	4.1
73.02912	2.0
79.05486	41.7
81.03409	7.1
81.07051	38.4
83.04987	7.1
83.08614	14.6
85.02903	3.5
85.06543	1.5
91.03967	0.9
91.05471	23.8
93.07037	47.3
95.04964	10.6
95.08601	42.4
97.02880	4.1
97.06528	11.6
97.10169	7.1
99.04459	4.0
99.08094	1.2
99.46179	0.7
105.07029	22.4
107.04957	12.0
107.08587	38.7
109.02887	1.0
109.06480	5.2
109.10155	7.4
111.08085	3.8
117.07014	16.6
119.08574	19.0
121.06504	8.5
121.10135	17.5
123.08075	3.4
123.11737	2.2
125.06049	1.8
125.09615	8.2
127.03955	1.0
128.06279	1.2
129.07011	2.1
129.82942	0.8
130.07794	2.2
131.08563	11.8
133.10118	11.5
135.08044	4.1
135.11678	46.6
137.09608	1.7
139.07529	2.1
139.11154	0.7
141.06963	1.3
143.08549	2.9
145.06490	1.1
145.10112	35.2
146.10400	0.9
147.08142	1.5
147.11681	5.5
147.52158	0.8
149.01230	0.9
149.09607	7.7
149.13278	3.0
151.11197	2.2
155.08556	1.7
157.10149	2.7
159.11714	6.4
161.09581	1.7
161.13287	2.4
163.11172	56.9
165.12761	1.0
169.10130	1.3
171.11644	2.0
173.09734	1.1
173.13266	3.5
175.11192	1.9
177.12781	3.1
179.14354	1.0
181.12230	9.9
183.11705	1.4
187.11116	1.2
189.11234	4.3
191.41908	0.8
193.12247	1.9
195.13826	1.5
197.13303	1.2
209.11752	1.4
211.13200	1.1
227.12770	100.0
229.14291	1.6
229.19557	1.9
239.18001	2.2
253.14259	0.9
253.18156	1.7
255.15921	4.4
257.18964	10.4
267.15875	2.8
269.17471	11.2
275.20047	26.0
283.15378	63.1
285.16986	2.1
291.19568	3.6
293.21124	3.0
321.24393	1.1
331.22769	3.1
349.23724	36.8
365.23343	1.5
367.24783	1.2
379.21143	2.4
383.51929	1.0
437.25357	1.6
453.24826	5.0
461.28809	2.3
463.26755	12.8
477.28439	41.3
494.31049	1.3
517.31824	1.1
539.33990	1.2
557.34711	48.9
558.35425	1.5
575.35803	7.8
612.14740	0.8
621.32642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.4
55.05269	3.1
55.05520	41.3
56.05039	3.7
57.03439	20.5
57.07060	4.3
58.06603	87.6
61.02931	18.2
65.03938	4.6
67.05507	92.4
68.05023	3.6
69.03435	15.3
69.07066	36.9
70.04112	10.0
70.06594	33.8
71.04994	11.2
72.04521	56.2
72.08153	3.5
73.02922	5.7
73.05303	3.7
77.03931	2.7
78.19925	2.4
79.05498	74.6
79.05960	3.7
81.02980	4.7
81.03423	48.3
81.07060	100.0
82.06586	8.2
83.04981	21.7
83.08629	24.9
84.04507	8.4
84.08146	14.3
85.02915	25.2
85.06551	5.9
86.06075	84.4
91.03940	9.6
91.05485	82.6
93.07053	66.8
94.06549	4.5
95.04973	29.6
95.08610	44.4
96.08147	4.1
97.02895	15.9
97.06525	17.5
97.10191	12.1
98.06061	7.8
98.09709	9.9
98.20810	3.3
101.02473	3.5
102.05544	8.0
105.07031	60.9
107.04964	19.6
107.08593	43.9
108.08086	2.8
109.06499	12.7
109.10165	49.3
111.04439	6.2
111.08086	10.8
113.06010	2.7
115.05518	3.1
116.07092	26.8
117.07030	13.8
119.08582	34.3
121.06509	8.5
121.10155	30.2
123.08080	8.9
123.11716	7.4
125.09628	6.8
126.15108	2.9
128.06242	3.7
128.10759	3.3
128.14349	4.1
129.07010	10.3
131.08580	27.8
133.06493	7.4
133.10139	58.3
135.08069	10.7
135.11710	12.9
137.09663	5.5
143.08553	3.9
145.10103	13.8
147.08072	10.3
147.11671	16.6
149.09595	13.1
149.13304	5.2
151.11192	16.6
153.01883	5.5
156.13884	3.1
157.10072	13.6
159.11732	8.8
161.09641	6.3
161.13347	3.0
163.11206	8.0
165.12798	4.4
168.13821	12.5
171.11737	4.6
175.11172	10.7
177.12837	3.3
180.13850	5.5
181.12245	3.9
185.13229	2.6
186.14969	3.6
189.11150	4.2
191.10751	3.1
193.12256	31.0
196.13393	17.1
196.17004	6.4
198.14922	63.3
211.13310	38.6
216.15982	4.9
223.13280	9.2
224.16518	3.7
227.12767	4.8
240.15997	8.4
253.14375	51.2
267.15948	28.0
270.17068	6.1
272.18518	9.3
273.18494	19.2
275.20074	6.7
283.15427	9.2
285.16974	46.8
288.17859	3.3
290.19543	7.2
290.40698	2.7
291.19580	46.4
292.19812	2.8
314.19333	3.3
333.24579	4.3
335.25824	20.3
347.22375	5.7
349.23724	3.4
365.23270	33.1
389.22906	3.4
459.27609	3.4
463.26965	11.7
477.29010	3.6
481.28220	14.2
520.39911	5.9
530.38745	4.0
543.36658	8.5
548.39435	31.1
549.40320	6.6
550.40924	10.3
557.34631	27.9
566.40649	38.7
574.41138	6.6
575.35760	52.3
592.41467	14.0
610.43109	86.8
728.46039	12.7
754.47839	4.4
772.48523	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.6
55.05514	43.7
57.03441	24.8
59.05003	33.2
61.02924	5.6
65.03945	4.2
67.05508	89.3
69.03442	12.8
69.07078	15.0
69.61472	3.4
69.61880	13.1
70.06591	3.9
71.05006	17.9
73.02912	4.1
78.53408	2.1
79.05498	56.1
79.05968	3.2
81.03424	100.0
81.06586	3.8
81.07061	62.5
83.04983	22.4
83.08626	31.3
85.02913	13.7
85.06540	6.0
87.04477	29.0
91.05489	53.7
93.07055	38.7
95.04967	41.8
95.08609	28.2
97.02892	14.9
97.06539	10.7
97.10177	20.0
99.04473	10.4
99.08103	2.5
105.07041	32.9
107.04954	21.4
107.08600	28.2
109.02895	9.4
109.06532	12.5
109.10157	56.7
111.04462	11.7
111.08077	15.9
115.05474	3.6
117.07019	11.1
119.04947	10.1
119.08579	31.1
121.02892	4.1
121.06495	10.8
121.10159	29.4
123.04459	7.8
123.08082	8.2
125.09617	17.8
127.03949	5.0
128.06219	2.5
129.07005	15.5
131.04921	2.8
131.08563	24.1
133.06506	7.6
133.10121	17.0
135.04434	7.5
135.08089	8.6
135.11691	13.5
137.05994	6.8
137.09625	4.8
138.09119	2.4
141.06969	4.1
143.05655	30.3
143.08597	4.9
145.06468	2.7
145.10130	15.5
147.04414	10.6
147.08081	9.2
147.11703	18.0
149.05951	4.6
149.09657	22.0
153.09120	5.1
153.12709	12.1
155.08525	3.6
155.10707	3.0
157.10115	19.4
159.11781	3.6
161.05988	7.5
161.09581	4.3
163.11188	18.5
165.09123	2.2
165.12776	3.6
167.07066	7.8
167.10719	4.0
171.11717	4.1
173.09644	3.3
173.11780	12.7
173.13144	2.7
175.03946	11.9
175.11156	17.2
177.05516	9.1
179.14247	2.3
181.12215	9.2
183.11731	2.8
185.13286	3.0
189.11299	9.9
189.12749	2.2
191.10707	8.5
193.12256	51.1
195.11807	2.7
197.15460	3.8
199.13264	6.9
205.12259	5.4
207.06526	15.1
209.11620	10.3
211.13280	39.1
213.12682	2.9
217.12247	2.5
217.14322	3.7
219.13927	3.7
223.13290	3.3
223.18718	2.0
225.12952	2.6
225.14940	8.6
227.12772	19.0
228.61069	2.3
229.14345	36.9
230.15317	2.4
231.13763	5.1
233.11725	2.5
235.13228	3.2
241.14296	2.5
243.13733	3.5
247.13293	8.5
249.14923	14.2
259.13190	3.5
263.16489	3.7
265.14209	2.5
267.15930	53.7
270.27878	1.9
271.05875	2.0
273.14798	2.7
275.12866	2.0
283.15442	13.5
301.14224	3.9
309.16797	2.8
315.18246	4.2
337.21582	6.1
355.22662	8.0
365.21054	9.6
369.11853	2.6
373.23871	4.4
383.22174	23.9
401.23395	19.3
403.24692	2.3
408.94763	2.2
415.24612	4.7
421.25827	25.3
433.25986	4.3
457.25580	5.6
475.26877	20.9
477.27838	2.3
493.27972	8.3
507.29507	15.9
525.30884	6.6
645.24542	2.3
772.45142	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	772.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.4
55.05509	41.0
57.03444	21.8
59.05008	25.9
59.49183	2.5
61.02921	7.7
65.03928	6.9
65.65463	2.5
67.05505	90.8
67.08575	2.6
69.03435	13.0
69.07063	20.4
70.06615	4.6
71.04984	24.2
71.59850	3.8
73.02901	4.9
75.03899	2.7
79.05492	54.0
81.03417	100.0
81.07055	52.3
83.04990	20.9
83.08621	28.9
85.02903	14.9
85.06534	6.7
87.04470	31.4
87.28993	2.3
91.05481	55.1
91.48194	2.9
93.07046	40.3
95.04963	40.2
95.08603	27.4
97.02898	17.0
97.06531	11.4
97.10162	18.4
99.04460	11.2
99.08042	3.9
102.49084	2.5
103.05450	4.6
105.07035	31.4
107.04954	21.6
107.08578	27.0
109.02870	5.4
109.06512	12.3
109.10172	50.0
111.04447	10.2
111.08091	12.8
115.05460	4.5
117.07009	12.2
119.04942	8.5
119.08591	26.6
121.02901	5.7
121.06520	12.3
121.10141	20.0
123.04418	6.6
123.08086	5.0
123.11672	5.7
125.09643	18.1
127.03924	5.6
129.06998	17.8
131.08562	25.6
133.06506	8.2
133.10149	21.7
135.04387	7.9
135.08092	8.6
135.11696	8.4
137.05983	9.5
141.07025	4.1
142.07768	4.9
143.04562	5.4
143.05650	55.2
143.08553	7.5
145.06461	3.6
145.10127	11.4
147.04430	9.9
147.08057	8.7
147.11693	18.9
149.09636	22.1
151.07629	2.8
153.01752	3.0
153.09200	4.0
153.12753	11.7
155.08574	4.3
157.10124	12.3
161.06023	5.0
161.09639	6.2
163.11156	14.5
165.12785	5.0
167.07021	9.3
169.10201	5.7
173.11751	14.3
175.03943	8.5
175.07558	2.6
175.11151	17.5
177.05443	5.2
181.12262	6.4
182.15488	3.1
185.13214	5.9
187.11101	2.9
189.11237	9.2
191.10709	5.7
193.12248	52.6
197.15428	3.5
199.13290	5.3
203.14388	4.6
205.12469	3.9
207.06561	15.7
209.11731	12.8
211.13309	36.6
219.14000	3.7
223.13275	3.4
225.14850	9.8
227.12788	15.7
229.14346	41.1
231.13870	4.7
235.13226	4.6
237.46509	2.9
247.13283	7.3
249.14915	15.2
259.13309	3.7
267.15912	66.9
267.18640	5.4
273.14835	3.2
277.14352	4.5
283.15344	14.5
287.05536	7.5
337.21588	6.3
355.22690	7.7
365.21133	12.2
373.23572	6.6
383.22128	29.3
401.23315	17.2
415.24982	3.3
420.17343	4.3
421.25903	29.7
433.25604	6.9
447.27371	6.5
457.25800	8.1
475.27121	22.4
493.27893	7.0
507.29614	19.3
525.30597	6.8
535.14777	3.8
660.12518	3.0
772.33319	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	771.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.5
55.05406	8.7
55.05706	2.8
57.03334	2.9
57.03632	0.8
57.07009	0.9
57.07228	0.5
61.02814	10.4
61.03167	2.7
65.03841	1.2
65.04137	0.7
67.05386	16.0
67.05793	3.7
69.03309	5.6
69.03717	1.1
69.06950	7.7
69.07355	1.5
70.08920	3.0
71.01253	1.2
71.04874	2.2
71.08540	0.6
73.02792	6.8
73.03240	1.4
79.05366	13.8
79.05878	1.9
81.03291	4.3
81.06924	18.0
81.07458	2.7
83.04850	2.1
83.08482	4.8
85.02769	9.4
85.03320	0.9
85.06448	1.2
85.63148	0.7
87.04359	0.8
91.03817	6.2
91.04449	1.3
91.05344	11.6
91.05958	1.3
93.06902	13.4
95.04829	3.0
95.08461	16.6
95.09136	1.8
97.02750	8.8
97.03430	0.9
97.06402	2.0
97.06976	0.7
97.10027	2.2
97.49724	0.6
98.21390	0.6
99.04307	1.5
101.02241	1.6
103.05381	0.7
105.06879	13.5
107.04813	2.0
107.08443	8.7
109.02764	1.5
109.06380	1.9
109.10003	7.1
111.07965	0.8
115.05367	1.3
117.06868	8.5
117.07762	0.7
119.08420	10.7
119.09352	0.8
121.06393	1.0
121.09982	6.5
123.07903	2.0
123.11555	1.8
124.29628	0.5
125.09464	1.7
127.03738	2.2
128.06213	2.8
129.06841	9.7
131.08403	10.7
133.10129	7.9
135.07954	0.7
135.11517	3.5
141.06979	4.1
142.07614	1.9
143.08566	11.3
145.06316	0.8
145.10120	10.4
145.26434	0.6
147.11688	5.7
149.02243	1.2
149.09489	1.1
149.13107	1.4
153.06859	1.1
154.07707	0.9
155.08563	9.6
156.09169	1.5
157.10133	10.8
159.11717	7.6
161.09451	1.1
161.13275	2.8
163.14696	0.7
165.06889	0.9
167.08597	4.6
168.09126	1.7
169.10118	10.4
169.11481	0.7
170.10829	0.9
171.11697	8.3
172.12318	0.6
173.13287	5.4
175.11049	0.5
175.14687	1.3
177.12624	0.7
178.07629	0.6
179.08386	1.7
179.21957	0.6
180.09218	1.4
181.10127	6.7
182.10721	1.2
183.11697	10.6
184.12302	0.9
185.13255	6.1
185.79962	0.6
187.14822	2.7
189.16261	1.6
191.08284	0.6
193.04826	1.5
193.09982	2.4
194.10774	0.8
195.11705	6.8
197.13275	6.7
198.13824	0.7
199.14804	4.4
201.16182	1.3
205.10052	1.1
206.10774	0.6
207.11691	2.8
208.12137	0.6
209.13252	6.3
211.14836	5.3
213.16382	2.7
215.17661	1.2
217.15730	0.7
219.11565	1.1
221.13054	2.3
222.13829	0.6
223.14861	4.0
224.15384	0.6
225.16382	4.4
227.17783	1.6
233.13052	1.0
235.14639	2.1
237.16441	3.4
239.14146	0.7
239.18103	2.6
241.15723	0.6
241.19473	1.3
245.12938	0.8
247.14766	1.1
249.16302	1.3
251.17755	2.1
253.19537	1.3
257.18951	0.7
259.20465	1.0
261.16180	0.6
263.17764	1.0
265.19434	1.4
267.21030	1.2
275.20187	0.7
277.19330	0.7
279.21146	0.7
285.21887	0.7
295.20493	0.8
297.22058	0.6
299.23404	0.8
311.20074	0.7
311.23492	0.8
321.21884	0.8
323.23575	1.3
335.23288	0.8
337.25174	1.7
339.23041	0.7
339.26767	0.8
341.24786	0.7
351.26804	1.8
353.24554	0.7
361.24948	0.8
363.26764	0.9
365.28302	1.2
377.28430	0.8
379.25949	0.8
391.30014	1.1
409.31226	0.7
433.30472	0.8
447.32544	1.0
449.33881	0.7
471.32455	0.7
473.33328	0.9
499.39749	1.1
501.35410	1.0
503.37384	0.6
515.38025	0.6
517.40570	7.2
521.36218	0.8
527.37689	1.1
535.41406	2.4
539.37085	1.4
540.38141	0.7
541.39050	1.0
553.42065	0.7
555.41803	0.9
573.42407	0.8
591.43945	5.6
607.43396	3.5
609.45123	100.0
610.45642	2.6
621.44995	1.4
651.46198	1.2
699.46027	0.9
735.48199	1.2
753.49500	2.7
771.50415	20.4
772.50616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	0.9
55.05427	7.7
55.05725	1.6
56.84791	0.5
57.03347	3.3
57.03653	1.0
57.07005	1.0
61.02837	12.9
61.03185	2.1
65.03847	0.6
67.05408	16.8
67.05807	2.5
69.03330	5.9
69.06967	6.8
69.07372	1.0
70.73740	1.2
70.74075	0.5
71.01270	0.8
71.04893	1.4
73.02817	7.8
73.03253	1.1
79.05387	10.3
79.05891	1.2
81.03312	3.2
81.06951	16.7
81.07489	1.6
83.04902	1.0
83.08504	3.6
83.97594	0.4
85.02792	10.8
85.06462	0.6
87.04401	0.7
91.03843	6.8
91.04462	0.5
91.05370	11.6
93.06934	12.1
93.07565	1.1
95.04851	2.1
95.08492	16.1
95.09154	1.3
97.02778	9.7
97.03458	0.7
97.06509	2.4
97.10152	2.4
99.04390	0.9
101.02280	1.6
104.45039	0.5
105.06908	10.8
107.04768	0.8
107.08469	10.0
109.02784	0.9
109.06390	0.7
109.10146	6.3
111.08011	0.8
115.05347	0.5
117.07023	7.0
117.98487	0.5
119.08585	9.4
120.08865	0.6
121.10156	6.6
123.07977	0.9
123.11609	1.8
125.09574	1.1
127.03923	2.4
128.06235	2.5
129.06990	8.7
131.08560	9.3
133.10132	6.9
135.11667	3.7
137.13141	1.2
139.11047	0.6
141.07019	3.5
142.07695	1.2
143.08557	9.0
144.09203	0.7
145.04886	0.7
145.10132	9.9
147.11671	4.5
149.09439	0.6
149.13100	1.9
153.06842	1.6
154.07664	1.2
155.08566	9.1
156.09248	1.1
157.10133	10.8
159.11693	6.6
161.13139	2.3
163.14728	0.8
165.06944	0.8
166.07669	0.6
167.08546	3.4
168.09219	0.9
169.10124	10.7
171.11685	8.8
173.13277	4.8
175.11067	0.6
175.14726	1.8
179.08434	1.0
180.09203	0.7
181.10118	5.2
182.10770	1.4
183.11702	10.4
184.12291	0.7
185.13266	6.4
187.14713	2.1
189.16325	1.2
193.10172	2.6
195.10204	0.7
195.11682	6.9
196.12369	1.1
197.13251	8.0
199.14833	4.7
201.16272	1.3
203.17816	0.9
206.10869	0.7
207.11581	1.8
209.13245	5.3
211.14818	5.8
213.14536	0.8
213.16522	2.3
215.17796	0.6
219.11639	0.7
221.13298	2.9
223.13072	0.5
223.14780	4.3
225.16353	2.8
227.17786	1.8
233.13155	1.1
235.14630	2.0
235.16698	0.5
237.16464	2.5
239.17796	2.0
241.19623	0.7
245.13307	0.5
245.18985	0.8
247.14723	0.8
249.16281	1.3
251.17859	1.6
257.18973	0.7
261.16202	0.6
263.17871	1.2
265.19482	1.4
269.18689	0.6
291.20789	0.6
297.22064	0.7
307.20343	0.5
309.21906	0.7
311.20041	0.5
311.23529	0.8
313.21439	0.7
323.23602	1.2
327.23172	1.0
335.23495	1.0
337.25131	1.4
339.26682	0.8
351.26761	1.3
353.24875	0.7
367.26160	0.7
377.28360	1.0
393.31622	1.0
394.49655	0.6
407.28635	0.8
409.30859	0.6
421.31070	0.8
433.31061	0.8
435.32962	0.6
447.32742	1.3
449.34076	0.9
475.34479	0.5
501.35541	0.9
513.35950	1.0
515.37744	0.9
517.40558	6.5
521.36749	0.7
525.35596	0.9
535.41632	3.3
539.37262	2.1
540.38037	0.8
541.38910	1.2
543.98718	0.5
553.39557	0.5
580.40979	0.6
591.44049	6.5
607.43909	2.7
609.45129	100.0
610.45648	4.8
611.46796	0.7
621.45361	0.9
633.44843	0.7
651.46521	0.9
699.46173	0.6
717.47638	0.7
735.48553	1.0
753.49530	1.2
771.50452	17.8
772.51721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05503	0.2
56.89444	0.1
56.91904	0.1
57.03435	0.3
58.56754	0.1
60.57233	0.1
61.02918	0.3
63.34253	0.1
65.03951	0.7
67.01867	0.4
67.05499	0.5
68.99796	0.6
69.03431	1.5
69.07063	0.2
70.06585	0.2
71.04994	1.3
71.61231	0.2
72.08142	0.1
73.02914	0.3
74.87115	0.1
79.05481	0.5
81.03419	2.1
81.07049	0.7
83.04982	0.3
83.08622	0.2
85.02908	2.9
87.00820	0.3
87.04478	0.1
87.06696	0.3
91.05482	15.7
92.05022	0.2
92.05791	0.2
93.07037	0.5
95.04971	0.5
95.08604	0.3
97.02896	1.6
97.06517	0.2
99.04472	0.6
105.01848	0.2
105.07024	0.7
107.04942	0.3
107.08597	0.6
109.02885	2.9
109.06497	0.1
109.10143	0.3
111.04433	0.5
115.03870	0.2
117.03378	0.6
117.07056	0.2
118.06537	0.6
119.04947	1.9
119.08594	0.5
120.08055	0.2
121.02863	1.2
121.10127	0.3
123.04420	0.3
123.11661	0.2
125.02386	0.4
127.03918	2.7
129.01851	0.3
129.05473	0.5
131.04887	0.2
131.08600	0.3
132.08112	0.2
133.10141	0.3
135.04396	0.2
135.11603	0.2
137.05981	0.6
139.03893	0.3
141.01801	0.3
143.05641	5.2
143.06781	0.3
145.02844	2.2
145.04939	0.4
145.06470	0.2
145.10123	0.4
147.02927	0.2
147.04413	0.6
147.11728	0.2
149.05994	0.2
149.09583	0.2
151.03856	0.2
153.01834	4.0
153.05428	0.2
157.06529	0.2
159.03029	0.1
161.05960	0.2
162.07849	0.2
162.09096	0.6
163.03946	0.6
163.09851	0.3
165.01837	0.2
165.05444	0.1
167.07043	1.0
167.08339	0.2
170.10820	0.1
171.02896	1.3
175.03918	0.7
176.04343	0.1
177.05472	5.3
177.12811	0.2
178.32164	0.1
179.07147	0.2
181.04973	0.3
183.02853	0.2
187.04022	0.3
189.05453	0.2
191.07068	0.2
193.08601	0.1
193.12189	0.1
195.02948	0.2
195.06413	0.1
199.21768	0.1
202.15974	0.2
203.07028	0.4
207.06531	1.1
211.03958	0.1
213.03955	0.7
215.06992	0.2
217.05046	0.2
219.10205	0.2
225.05473	0.4
229.04990	0.3
230.15398	1.0
231.05029	0.3
231.15733	0.3
233.07893	0.1
235.05818	0.1
243.06467	0.3
267.06491	0.1
271.06009	100.0
272.06342	1.7
283.06021	1.2
287.05508	2.2
292.19067	2.6
293.19489	0.8
295.05902	0.3
297.03952	0.3
297.07333	0.2
311.05328	0.1
313.07050	1.7
325.06985	0.3
337.06888	0.4
339.07233	0.2
339.10614	0.6
346.46445	0.2
357.08197	0.3
361.07016	0.3
361.10712	4.8
379.08148	1.1
383.31873	0.1
397.08795	0.1
405.10315	0.2
433.11230	0.9
501.10461	0.7
510.26968	0.3
519.11334	0.5
535.15070	0.3
553.16095	0.2
561.12189	0.4
591.11163	0.6
609.12512	0.9
627.13702	1.0
645.14478	1.5
663.15460	2.1
770.43286	1.7
771.43915	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.5
55.05511	27.3
57.03429	9.7
65.03936	6.5
67.05508	74.4
68.90905	1.9
69.03430	6.7
69.07070	31.4
70.20108	1.9
71.04985	5.6
73.06549	2.8
76.10553	1.7
79.05496	100.0
81.03423	13.7
81.07059	75.6
83.05000	18.4
83.08617	13.3
83.35418	1.9
85.02929	4.5
85.06557	4.6
91.05486	76.0
93.07047	96.9
95.04973	25.2
95.08613	42.5
97.02908	4.5
97.06528	18.2
97.10165	9.6
98.20706	3.4
99.04445	2.5
103.05462	2.2
105.04520	3.0
105.07036	58.2
107.04971	15.2
107.08593	41.1
109.02895	2.0
109.06521	10.3
109.10159	14.6
111.08068	5.9
117.07025	20.5
119.08582	39.2
121.06541	3.6
121.10173	13.7
123.08083	6.1
123.11729	2.6
125.05967	2.0
125.09665	6.3
127.03932	2.3
128.06210	4.0
129.07001	17.8
130.07782	2.0
131.08548	14.8
133.06520	2.5
133.10139	23.5
135.08057	5.5
135.11731	13.9
141.06958	2.7
143.08542	12.1
145.10118	23.1
147.08044	4.3
147.11696	46.7
149.09639	16.1
149.13307	5.5
151.11159	3.3
155.08548	3.0
157.10127	5.4
159.11731	13.3
161.09627	3.8
161.13268	10.1
163.11162	8.9
169.10182	3.6
171.11697	26.6
173.04430	2.6
173.13278	5.6
175.11115	2.5
177.12813	3.1
179.14314	3.0
183.11752	3.2
187.11189	2.8
189.11232	3.8
189.12776	12.6
207.13837	27.4
225.14856	2.9
227.12807	15.3
229.19475	2.2
239.18030	3.4
241.02614	1.9
255.15924	6.3
257.18930	9.7
269.17441	12.5
275.20059	36.5
281.17484	71.3
293.21164	3.5
310.57117	1.8
331.22781	2.6
349.23795	24.4
367.24799	2.8
426.12936	2.1
435.27438	3.7
451.26105	1.7
459.31198	2.6
461.29019	34.0
475.30618	98.1
476.30762	2.6
515.33514	3.4
537.35962	4.5
555.36890	58.4
573.37433	5.7
619.34125	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.0
55.05510	36.9
57.03434	12.2
61.02925	6.1
65.03927	4.1
67.05172	6.2
67.05506	81.7
69.03421	10.5
69.07073	27.8
69.72659	3.5
71.04997	9.2
71.60130	3.8
73.02901	5.0
79.05067	6.0
79.05495	84.6
81.03418	23.0
81.07060	85.3
83.04989	18.3
83.08651	21.8
85.02908	9.8
85.06519	5.3
91.05481	80.0
92.05788	4.5
93.07042	100.0
93.76086	3.7
95.04984	25.2
95.08601	41.5
97.02880	11.5
97.06531	14.7
97.10173	12.9
99.04436	4.4
105.07030	68.9
107.04952	10.7
107.08601	39.0
109.02875	4.7
109.06508	12.0
109.10151	17.7
112.00423	3.3
117.07025	33.5
119.08587	55.9
121.06531	8.7
121.10148	17.6
125.09662	7.3
128.06219	4.8
129.06984	22.8
131.08559	23.3
133.10132	27.0
135.08031	4.0
135.11696	12.4
137.09593	6.3
143.08549	15.7
145.10106	32.9
146.10498	4.5
147.08034	5.6
147.11678	47.3
149.09595	9.4
149.13203	6.0
153.01854	12.3
155.08560	7.7
157.10107	8.3
159.11708	20.2
161.09662	7.6
161.13254	16.3
163.11263	6.8
169.10080	9.1
171.11688	27.1
173.13338	11.5
181.10149	5.9
183.11653	6.1
184.07303	4.3
185.13303	10.3
189.11201	5.0
189.12741	11.2
197.13200	4.5
204.04073	3.9
207.13841	28.8
219.17609	3.7
227.12827	11.5
239.18021	6.1
247.20639	4.4
257.18921	24.6
267.15878	6.7
269.17419	11.8
275.20050	41.3
281.17484	71.4
291.19534	9.7
293.21094	4.5
309.30231	4.2
331.22632	6.0
349.23627	25.9
365.23441	4.9
451.26785	6.5
461.28568	21.0
475.30640	38.7
537.35370	7.4
541.34869	13.5
555.36841	60.7
564.42542	5.8
573.36261	5.4
608.43298	16.5
770.49371	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	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.0
55.05270	1.2
55.05511	13.8
57.03444	7.3
57.07058	1.4
61.13364	1.0
65.03936	2.3
67.05505	47.1
69.03436	4.6
69.07066	17.1
70.35072	4.4
71.04994	4.2
75.90189	1.3
79.05497	49.5
79.72081	1.1
81.03419	8.9
81.07053	47.0
83.04984	12.3
83.08612	10.3
84.42537	1.0
85.02919	3.1
85.06538	2.4
86.09717	5.4
91.04910	1.9
91.05479	40.4
93.07043	49.8
95.04970	14.3
95.08605	23.5
95.09174	1.7
95.51636	1.0
97.02890	3.8
97.06524	9.6
97.10178	4.0
99.08097	2.4
105.07034	27.1
107.04945	8.1
107.08595	21.8
109.02892	1.1
109.06516	6.1
109.10159	8.7
111.04457	1.8
111.08088	2.2
112.07615	2.0
113.05997	2.1
115.05474	2.0
117.07010	9.9
119.08572	17.9
119.09364	1.4
120.08113	2.6
121.06516	4.3
121.10144	10.0
123.04492	1.2
123.08043	3.2
123.11715	2.0
125.09692	1.5
127.03909	2.0
128.06241	1.3
129.06992	9.2
131.08600	9.8
133.10127	17.9
135.11690	8.1
137.09570	1.7
141.06941	1.5
143.08575	6.3
145.06389	1.2
145.10112	10.5
147.08070	2.5
147.11687	21.4
147.12804	1.8
149.09634	4.6
149.13271	6.2
151.11234	1.9
153.01831	2.9
157.10136	1.8
159.11678	7.6
161.09639	2.7
161.13264	7.3
163.11168	4.1
165.12756	1.6
169.10283	1.2
171.11681	18.0
173.04434	1.4
173.13304	3.3
177.12746	2.7
183.11812	1.6
185.13184	1.5
189.12701	5.5
195.13823	2.0
207.13811	15.9
225.14917	2.5
227.12889	1.6
239.17952	1.9
253.14432	5.4
255.16032	4.8
257.19043	3.5
267.15970	1.9
269.17435	15.4
274.18063	1.8
275.20068	14.7
281.17465	40.1
283.15317	2.1
291.19638	1.8
349.23721	10.0
367.25031	2.1
435.27448	2.1
442.98660	1.1
460.52731	1.1
461.28992	21.8
475.30551	100.0
476.30753	3.1
529.28827	1.2
537.80103	1.2
555.36877	19.8
573.37177	3.7
619.34302	2.3
770.49475	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	8.0
55.05510	26.9
57.03440	10.1
57.07048	2.2
61.02924	3.7
61.36432	1.6
62.06095	3.3
65.03928	5.2
67.05504	75.1
69.03409	6.7
69.07067	26.0
71.04987	5.4
73.02917	2.7
73.06552	1.8
77.03876	1.8
79.05490	100.0
81.03422	13.8
81.07053	76.5
82.07407	1.8
83.04982	17.9
83.08628	12.2
85.02897	7.3
85.06548	5.2
85.70226	1.7
86.55265	1.6
88.52064	1.5
91.05482	87.7
92.05813	2.5
93.07041	85.9
95.04971	28.2
95.08603	40.0
97.02888	5.9
97.06528	12.7
97.10180	4.7
99.04506	1.9
99.08092	3.1
102.11691	1.6
103.05502	2.0
105.03506	1.6
105.04527	2.2
105.07031	70.5
107.04954	10.4
107.08594	40.0
109.06517	8.5
109.10155	12.6
111.08083	4.9
115.05433	3.6
117.07025	20.0
119.08583	52.7
121.06489	4.6
121.10139	18.3
121.10931	2.2
123.08051	6.7
123.11685	2.3
125.09642	2.2
127.03951	4.2
128.06227	3.2
129.07008	21.0
131.08566	22.3
133.06479	1.6
133.10127	37.4
135.08017	2.9
135.11707	12.3
141.06967	2.2
142.07739	2.0
143.08577	13.6
145.06569	1.9
145.10135	21.8
147.08049	3.5
147.11690	51.3
149.09607	7.6
149.13258	15.6
151.11198	2.8
155.08548	2.9
156.09312	1.8
157.10152	7.3
159.11676	13.8
161.09599	5.6
161.13258	21.6
163.11189	4.9
169.10127	4.4
171.11690	37.4
172.12062	1.6
173.04527	1.8
173.13278	6.4
175.14807	6.1
177.12820	2.3
179.14240	2.8
183.11694	2.3
185.13315	4.1
189.12767	13.9
195.11859	2.1
195.13763	5.0
197.13191	2.8
199.14902	2.6
207.13799	25.1
209.13368	1.8
225.00934	1.4
225.14787	1.8
231.21043	2.2
239.18018	2.8
241.19495	12.2
257.18967	7.0
259.20563	23.4
269.17471	9.9
275.20047	11.6
279.15866	8.7
281.17471	50.4
291.19391	2.0
296.81546	1.8
315.23187	3.2
333.24210	17.6
349.23740	6.5
475.30557	41.0
483.34457	2.3
496.89368	1.6
521.35663	2.1
535.90997	1.7
539.37396	24.4
555.36597	7.0
557.38367	8.6
573.37549	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.9
55.05509	38.6
57.03439	15.1
57.07071	3.9
61.02650	2.4
61.02925	13.5
65.03941	10.3
67.05506	91.4
69.03434	33.2
69.07068	31.3
70.07436	1.9
71.05010	9.3
71.08635	1.9
73.02919	10.2
79.05496	58.1
80.05775	2.0
81.03419	48.6
81.07059	76.4
83.04984	15.9
83.08613	15.7
85.02903	22.8
85.06531	5.8
87.04482	2.3
91.03943	7.8
91.05484	70.6
93.07046	60.7
95.04987	19.0
95.08611	58.4
97.02896	26.3
97.06518	8.8
97.10173	10.4
99.04456	6.9
99.08094	2.6
101.02393	4.2
103.03936	2.8
103.05457	3.5
105.07033	59.7
107.04972	10.5
107.08598	36.1
109.02890	10.4
109.06522	6.9
109.10146	24.2
111.04441	5.6
111.08091	6.0
115.05461	7.6
117.07030	34.0
119.08585	44.6
121.02892	3.1
121.06509	5.5
121.10136	25.9
123.08042	6.3
123.11701	5.7
125.09634	5.7
127.03905	9.5
128.06218	9.0
129.05499	3.9
129.07010	25.3
131.08572	38.6
132.00243	1.8
133.06512	3.2
133.10139	38.6
135.08046	8.6
135.11679	13.9
139.03847	2.3
139.11037	2.1
141.06990	15.5
142.07784	6.9
143.08577	29.5
145.06526	4.7
145.10136	38.4
147.08034	6.9
147.11688	19.8
149.01149	3.6
149.02354	62.2
149.03447	4.2
149.09639	6.4
149.13254	5.4
150.02745	2.9
151.11227	3.4
153.06993	5.4
154.07761	3.4
155.08543	22.3
156.09378	3.7
157.10130	25.8
159.08078	5.5
159.11703	24.7
161.09648	3.5
161.13290	10.1
163.11183	6.3
165.06972	4.5
166.07744	2.3
167.08574	14.0
168.09364	4.2
169.06429	2.7
169.10106	24.0
171.08083	4.4
171.11713	23.6
173.04456	17.8
173.09633	4.8
173.13258	16.7
175.11171	2.8
175.14891	2.7
177.12726	3.0
177.93143	2.3
178.07695	3.1
179.08580	8.7
179.14272	2.2
180.09311	2.2
181.10094	18.7
182.10902	4.5
183.08025	3.7
183.11694	24.1
185.09628	2.9
185.13245	13.6
187.11182	3.1
187.14835	6.4
189.11198	3.0
189.12831	2.8
189.16434	3.4
192.09375	2.2
193.04964	64.5
193.06721	3.3
193.10126	15.0
194.05392	3.0
195.11726	21.1
197.13239	14.2
199.11182	2.6
199.14853	11.0
201.12863	2.0
201.16411	5.4
205.10162	4.6
206.10913	4.2
207.11685	9.2
208.12213	2.6
209.13298	16.6
211.14783	9.8
213.12794	4.1
213.16449	6.4
219.11578	5.4
221.13316	9.5
223.14836	8.9
225.16351	5.7
227.18025	3.5
227.20024	17.8
229.19489	2.3
231.11676	2.2
233.13264	9.3
235.14903	7.6
237.12701	2.6
237.16396	10.1
239.17891	6.9
241.19560	4.3
245.06464	1.8
245.13191	3.5
247.14842	5.0
249.16432	5.3
251.17978	3.5
255.17496	2.6
257.18939	4.7
259.20563	6.4
261.16296	3.6
263.17932	2.4
269.17419	2.6
271.20663	2.7
275.20102	18.8
281.19028	1.9
283.20343	3.6
293.22095	2.4
301.21768	2.0
303.20581	2.2
307.20572	3.2
309.22189	2.8
311.20242	2.6
313.21622	3.5
315.23172	3.0
325.21591	4.1
327.23010	2.5
335.23431	3.3
349.24240	3.4
351.23163	3.9
353.24850	2.8
363.27075	2.6
367.22552	4.8
385.09509	3.0
385.23465	4.8
435.32587	2.4
441.26523	2.9
459.26889	2.9
513.35773	5.5
515.38892	9.4
525.35370	2.8
527.37433	5.5
533.39825	7.0
537.35602	3.3
538.36200	2.3
539.36993	2.3
541.35498	2.2
551.38300	2.9
555.37054	2.8
589.42578	4.4
605.41370	3.5
607.43573	100.0
608.43793	4.3
609.45032	3.9
625.44122	5.4
671.41058	5.2
715.44824	5.7
733.46057	8.2
751.48242	9.3
769.17487	4.3
769.48859	55.3
770.17810	3.8
770.49835	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	769.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.3
55.05261	3.8
55.05510	43.2
57.03426	13.0
57.07058	3.7
61.02914	10.9
65.03920	6.6
67.05502	93.7
69.03428	40.8
69.07059	31.4
69.32000	14.8
69.32429	13.8
71.04997	14.3
73.02905	7.8
79.05494	85.6
81.02976	5.3
81.03416	70.4
81.07055	100.0
83.04984	15.0
83.08607	15.1
85.02898	19.5
85.06528	4.2
87.04431	3.0
91.03951	3.1
91.05477	93.3
92.05873	2.5
93.07037	72.8
95.01321	3.2
95.04972	29.3
95.08596	72.4
95.09164	5.9
97.02901	26.5
97.06522	12.8
97.10171	6.7
98.21507	4.7
99.04439	10.9
99.08065	3.7
100.40472	3.4
101.02390	2.9
105.07022	85.5
107.04943	10.2
107.08591	53.9
109.02904	16.0
109.06527	9.3
109.10149	26.5
111.04454	5.8
111.08056	4.4
111.90659	2.8
113.02351	4.7
113.09657	3.2
115.05473	7.5
116.06261	4.0
117.07003	43.3
119.08574	69.5
121.06509	8.3
121.10131	26.2
123.08054	8.1
123.11698	6.2
125.09672	3.6
127.03914	13.7
128.06194	7.7
129.06995	33.5
131.08559	54.1
133.06488	3.6
133.10124	47.1
135.04506	2.9
135.08075	9.5
135.11664	18.3
137.09596	5.7
141.06970	12.5
142.07782	7.8
143.08536	34.9
145.06482	8.1
145.10120	43.4
147.08029	5.8
147.11661	28.2
149.09633	10.0
149.13254	12.3
153.07004	3.7
155.08563	24.0
157.06531	3.1
157.10106	25.7
159.07985	3.3
159.11673	28.5
161.09650	7.7
161.13266	10.6
163.11166	6.9
165.07011	5.9
165.12744	3.2
167.08583	14.1
168.09433	6.8
169.10152	29.5
171.08095	5.1
171.11676	24.3
173.04463	26.5
173.09639	4.9
173.13275	17.4
173.14479	2.7
175.11192	4.0
175.14818	5.2
177.12665	4.8
179.08527	5.7
180.09261	3.9
181.10081	18.4
182.10771	3.5
183.11679	21.1
185.09618	7.3
185.11853	3.0
185.13205	16.8
187.11087	4.0
187.14886	9.2
189.12621	4.5
191.08664	3.4
191.14323	3.5
193.10153	10.6
195.11716	15.5
195.13715	4.1
197.13310	17.1
199.11183	5.2
199.14865	9.9
201.16473	5.0
203.14345	3.2
207.11717	11.1
208.12312	3.2
209.13281	13.9
211.14827	12.1
213.12776	4.2
213.16533	3.8
219.11790	4.8
221.13286	6.2
223.14812	9.3
225.12729	3.4
227.17978	3.3
227.19987	3.9
229.19527	4.4
232.12566	2.9
235.14917	5.5
237.16425	3.9
241.19490	6.7
249.16490	4.2
250.53136	3.0
255.17555	2.9
257.19043	6.2
259.20569	7.3
271.20605	3.9
273.18628	4.3
275.20111	24.4
283.20572	3.5
299.20163	3.4
301.21597	4.1
333.24286	5.5
343.22662	3.5
349.21100	3.7
349.24646	4.2
367.22711	12.6
369.24142	4.0
385.23828	4.0
397.17065	2.7
441.26340	5.5
515.38647	6.3
527.37115	5.9
533.39349	3.2
537.35529	4.4
589.41998	4.0
607.43542	69.5
608.44012	3.9
625.43781	4.2
653.40167	5.6
671.41632	9.3
708.53064	3.3
715.44537	4.8
733.45721	11.7
751.47467	11.3
769.48883	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.9
55.05516	28.5
56.14110	1.9
57.03438	11.9
57.07066	4.5
61.02929	14.5
65.03931	6.4
67.05508	58.0
69.03429	25.3
69.07070	20.5
71.01344	2.1
71.04982	8.1
71.12186	5.0
71.94873	1.8
73.02915	9.3
77.53516	1.9
79.05495	55.1
81.03419	29.0
81.07059	56.3
83.04981	10.6
83.08621	13.8
85.02908	19.5
85.06541	3.2
91.03959	7.6
91.05479	44.4
93.07047	40.4
95.04974	12.8
95.08611	45.0
97.02896	18.9
97.06532	6.4
97.10156	7.5
99.04453	5.7
101.02338	2.5
103.05460	3.2
105.07034	45.3
105.07690	3.7
107.04940	6.5
107.08592	27.8
109.02891	6.2
109.06520	8.4
109.10161	18.1
111.04420	4.4
111.08089	4.8
115.05466	4.8
117.07017	24.7
119.08590	28.0
119.26875	1.8
121.06505	4.2
121.10155	18.5
123.08090	4.5
123.11703	3.9
125.09649	5.2
127.03922	9.4
128.06239	5.1
129.05533	3.5
129.07004	21.0
130.07799	2.3
131.08580	29.4
133.06516	3.0
133.10141	20.9
135.08072	6.0
135.11644	8.5
137.09564	4.4
141.07001	11.4
142.07764	4.3
143.08549	18.8
144.09334	2.4
145.06465	3.1
145.10127	24.5
147.08092	2.6
147.11699	13.3
149.02350	12.1
149.09659	6.2
149.13286	4.5
151.11194	2.1
153.07018	3.5
154.07706	2.6
155.08569	18.5
156.09312	3.4
157.10139	19.6
159.11696	17.0
161.09651	4.3
161.13284	6.7
163.11205	5.5
163.14822	2.4
165.07008	5.0
167.08595	11.7
168.09409	3.7
169.10141	23.2
171.08040	2.6
171.11728	15.6
173.04504	9.3
173.09654	2.9
173.13254	9.9
175.11308	3.7
175.14903	5.0
177.12701	2.1
179.08591	7.2
180.09312	2.7
181.10173	14.7
183.11691	17.3
185.13290	11.8
187.14812	5.8
189.12752	2.1
193.05002	17.5
193.10211	9.5
195.11717	14.4
197.13281	15.1
199.11261	2.3
199.13190	2.4
199.14867	8.8
205.10109	4.3
207.11694	9.8
209.13278	18.5
211.11302	2.4
211.14818	7.6
213.16315	4.8
215.14409	2.2
215.18076	3.0
219.11772	4.9
221.13316	9.4
223.14803	9.3
225.12718	2.8
225.16377	4.9
227.20056	4.6
229.14311	2.9
233.13324	3.2
235.14857	7.1
237.16380	4.4
239.17979	4.9
241.19519	3.5
247.15085	2.2
249.16467	4.5
251.18001	4.3
257.19077	5.0
259.20532	4.4
261.16516	3.3
263.17978	3.1
275.20148	12.2
279.21063	2.2
295.20432	2.2
311.20029	2.0
313.21658	2.7
325.21634	2.8
337.21362	2.0
339.23190	3.4
349.24295	2.9
351.23181	2.7
363.26828	2.5
367.22623	4.0
385.23810	2.7
445.30762	2.9
499.34265	1.9
513.35858	2.5
515.38544	7.7
525.03387	2.3
533.39758	5.1
537.35577	2.7
546.97009	2.0
551.40729	2.2
589.42377	3.3
605.41699	3.1
607.43561	100.0
608.43616	7.2
625.44177	5.8
708.41132	2.0
715.45197	2.3
733.46527	5.6
751.47516	6.7
769.48889	42.3
770.47937	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	768.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
55.05508	27.0
57.03437	5.8
59.04991	1.5
59.74257	1.1
65.03929	2.1
67.05502	39.1
69.03428	6.4
69.07066	22.6
71.04990	3.1
71.21790	2.9
73.06564	1.3
79.05489	46.9
81.03421	13.7
81.07051	37.9
83.04987	12.0
83.08611	10.5
85.02895	3.2
85.06534	2.0
91.05477	42.3
91.64454	1.2
92.14105	1.2
93.07040	45.6
93.07633	2.5
95.04964	18.5
95.08595	21.8
97.02908	7.2
97.06540	4.2
97.10164	10.6
103.05412	1.3
105.07022	29.2
107.04955	10.3
107.08595	17.2
109.02876	1.5
109.06548	5.7
109.10145	7.1
111.08070	1.8
117.07009	10.5
119.04967	2.2
119.08570	23.0
121.06512	4.9
121.10143	5.4
123.08064	5.1
123.11720	1.8
125.09606	7.2
128.06180	1.2
129.06987	11.5
130.07788	1.4
131.08557	10.1
132.05724	1.1
133.06503	2.9
133.10120	10.6
135.08063	2.8
135.11685	3.9
137.09572	1.5
141.06979	1.7
143.08586	7.4
145.06485	2.6
145.10133	10.4
147.08073	5.5
147.11694	17.8
149.09555	2.6
149.13258	1.8
151.11121	1.6
155.08600	1.5
157.10139	2.8
159.11685	3.1
161.09634	4.4
161.13274	4.8
163.11148	2.5
171.11661	13.4
177.12794	1.5
189.11217	2.6
189.12782	5.5
195.13942	1.5
207.11852	1.7
207.13762	13.4
223.13251	12.3
225.14975	1.6
227.12766	4.8
245.19028	1.5
249.14902	3.7
271.58755	1.3
273.18546	13.6
275.20355	1.4
281.17477	47.1
291.19525	78.9
312.29486	1.2
337.67859	1.3
347.22318	1.8
365.23196	29.0
473.28812	4.5
553.34943	4.4
571.36261	100.0
572.36615	4.4
607.85345	1.4
768.47052	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	56.0
70.98112	8.5
71.04975	1.2
71.58362	2.0
71.95264	1.4
72.02123	1.0
72.08132	1.2
74.97608	4.3
77.00942	1.0
82.77183	1.1
83.04961	1.1
84.96034	12.2
85.02894	2.7
88.99158	11.3
89.03880	1.2
91.05451	1.1
92.98622	1.4
98.97585	47.8
99.56465	1.0
102.97072	3.0
107.00211	8.1
107.31062	1.3
110.97556	9.4
112.99143	1.9
115.97855	1.4
116.98624	41.0
119.01914	1.4
124.99069	1.6
125.01211	1.3
125.77545	1.1
127.00648	1.2
128.98611	22.3
131.00206	5.8
134.98680	1.9
134.99654	18.8
135.04417	4.9
140.98584	6.2
143.00172	12.1
143.05647	1.9
145.02834	3.0
146.99655	25.1
147.04434	2.8
149.01202	8.3
152.98587	1.8
153.00684	1.5
158.99652	20.2
161.01218	24.3
162.99158	2.1
163.03893	19.8
165.00731	2.4
168.98073	1.7
170.99660	18.7
173.01273	11.4
173.02808	2.0
174.99237	1.3
176.94620	1.1
176.99170	1.5
177.00713	25.2
179.02295	5.0
182.99644	8.0
185.01189	4.3
185.02888	1.6
186.99109	7.5
189.00708	31.8
191.02263	7.3
193.01744	5.1
194.99773	1.0
195.01768	3.7
201.00702	48.6
203.02278	3.6
205.00229	4.1
207.01765	6.8
209.01236	4.1
211.02843	7.9
213.00710	3.0
215.02341	2.1
217.00215	1.7
218.99715	6.9
219.01738	52.8
221.01158	1.6
223.02849	2.5
224.02402	1.1
225.00612	2.0
227.02306	4.7
229.00259	1.8
229.03868	4.3
231.01845	6.6
233.01259	1.7
233.03404	2.0
235.01154	5.6
237.00694	38.7
237.02856	24.1
242.03448	1.2
243.01746	19.6
244.99567	1.7
245.05099	3.8
251.02133	1.7
253.02390	2.4
255.01756	78.8
261.02829	54.7
263.00766	19.0
269.03372	9.2
273.02817	100.0
274.03485	1.4
278.03345	2.5
279.03967	33.1
281.01794	13.2
287.04456	6.2
291.04007	11.1
293.02734	1.3
296.04532	2.1
297.02783	24.0
302.05347	2.4
305.01660	15.6
311.04532	11.1
313.02246	2.1
315.03870	7.9
317.01709	2.4
320.04739	1.4
321.05109	16.9
323.03253	6.6
325.02393	1.3
327.03940	4.7
329.05441	1.7
331.03320	2.5
333.05185	2.2
335.02472	5.5
339.03937	4.6
341.05417	2.7
345.05200	1.2
351.05893	3.6
353.03729	1.9
357.04889	1.6
363.03952	1.7
365.03925	4.2
369.04919	1.7
372.99500	1.1
381.05154	6.8
397.04456	4.1
399.05710	17.7
407.05042	14.6
415.05624	1.3
415.85843	1.1
417.07404	1.6
423.05988	3.3
425.05273	14.1
443.04849	7.6
455.07071	6.1
463.00369	1.4
463.07999	1.3
467.04996	7.1
471.08295	1.2
483.09946	1.6
485.05676	8.5
493.08688	4.6
497.06158	2.5
503.07040	1.3
509.07776	1.3
515.06696	1.8
525.10150	4.5
527.07056	3.6
541.10992	1.9
543.10828	1.4
551.06891	3.0
561.11292	68.9
569.09119	16.1
587.11029	30.3
605.10730	4.2
731.13239	3.9
749.14978	5.5
767.15717	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56581	0.5
55.01873	1.0
55.05510	1.3
57.03428	2.2
61.02930	4.8
67.05498	6.0
69.03435	4.5
69.07064	1.2
69.46857	2.5
69.47282	3.6
71.04999	1.8
73.02913	4.5
79.05487	5.4
81.03419	4.5
81.07059	7.1
83.04966	1.6
83.08622	1.0
91.03947	4.1
91.05487	4.2
93.07058	4.6
95.04974	1.7
95.08600	4.2
97.02900	6.4
99.04475	1.9
99.38458	0.7
101.02419	2.0
103.04014	0.7
105.07044	2.4
106.27809	0.8
107.08619	2.2
109.02922	0.8
109.10183	2.0
119.08607	2.1
121.10119	3.4
125.01954	0.7
126.74587	0.6
127.03932	2.0
131.08583	2.0
133.10167	1.5
135.11720	0.8
139.11240	1.3
145.10126	0.7
149.09628	1.6
157.10164	0.9
159.38759	0.7
185.04260	1.8
193.12431	0.7
228.48834	0.8
243.08366	3.1
251.12546	1.1
261.22430	0.7
269.13663	2.5
320.45935	0.7
335.25809	1.7
402.73727	0.7
443.19174	3.7
469.20349	2.0
487.21564	5.0
519.29370	7.4
747.42688	2.8
765.43860	100.0
766.43738	2.3
789.38776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
55.05497	0.1
57.03424	0.1
58.54134	0.1
58.68675	0.1
60.05632	0.2
67.05487	0.3
69.03410	0.3
69.07045	0.2
69.25907	0.1
70.06561	0.1
70.94805	0.3
73.02908	0.1
73.04038	0.1
77.67924	0.1
79.05478	0.3
81.03425	0.6
81.07054	1.2
83.02453	0.1
83.04957	0.2
83.08620	0.2
85.02903	0.4
87.06715	3.8
87.09209	0.3
88.52473	0.1
91.05486	0.5
93.07032	0.3
95.04939	0.2
95.08601	0.2
97.02863	0.1
97.06544	0.1
98.03528	0.1
98.20772	0.1
99.04433	0.1
101.03500	0.1
105.07040	0.6
107.08598	0.2
109.02897	0.5
109.06460	0.1
110.03743	0.1
110.74554	0.1
113.02367	0.1
113.04610	0.2
117.32133	0.1
119.08571	0.5
121.10144	0.2
123.11707	0.4
125.04590	0.3
125.86464	0.1
126.02988	0.1
127.03904	0.4
133.10075	0.1
137.05975	0.3
141.01851	0.2
141.04070	0.5
143.05638	100.0
144.05952	0.3
145.02869	0.1
147.11685	1.3
157.10013	0.1
165.12714	0.6
167.05759	0.1
167.07065	0.3
175.11104	0.1
177.05466	0.3
185.06709	0.3
193.12093	0.1
229.14380	0.3
267.15945	0.8
285.16989	0.3
287.05399	0.1
305.10968	0.4
337.16507	0.1
355.17398	0.1
393.19003	0.1
411.20132	0.1
424.45453	0.1
429.20944	0.4
559.91907	0.1
571.25531	0.2
589.27258	1.7
679.51080	0.1
747.29889	0.3
765.30457	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	765.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19941	0.3
69.03446	0.4
69.64133	1.7
69.64548	1.0
70.06614	0.6
81.03419	0.4
97.02931	0.6
98.21460	0.8
107.84724	0.4
119.04983	0.6
123.38314	0.3
129.12376	0.4
136.06210	0.4
143.05634	2.8
163.03848	0.4
175.04051	0.6
177.05501	0.7
185.04230	2.9
189.90242	0.4
197.22163	0.4
206.08340	0.6
287.09000	0.4
302.71008	0.4
309.09592	0.9
313.11774	0.4
339.11005	0.6
367.10150	0.6
405.64871	0.4
425.12070	1.0
439.13663	0.5
440.14288	2.2
441.15424	1.3
449.14276	0.4
573.19330	0.5
583.18091	0.5
587.17249	0.8
601.19025	1.1
602.20355	0.5
603.20569	8.9
603.28717	0.4
677.34088	0.5
765.25775	100.0
766.25934	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	763.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01875	0.6
55.05513	2.0
57.03426	2.1
61.02925	6.2
65.03923	0.4
67.05500	7.0
67.86436	0.4
69.03426	3.5
69.07079	1.3
70.73866	0.9
71.01340	0.5
71.04986	3.6
71.96365	0.3
73.02323	0.4
73.02917	4.2
79.05495	3.3
81.03410	1.3
81.07053	7.2
83.04994	0.5
83.08643	1.1
85.02898	6.1
85.06533	0.7
87.04483	0.7
91.03954	3.4
91.05491	2.6
93.07035	3.9
95.04979	0.6
95.08598	2.8
97.02885	4.9
97.06517	0.6
97.10177	0.4
99.04456	1.0
101.02381	2.1
103.03936	0.8
105.07063	1.5
107.08595	2.7
109.02879	1.3
109.10165	1.7
111.06644	0.4
111.08070	0.4
115.03891	0.4
117.07060	0.4
119.08585	0.9
121.10152	1.3
123.11748	1.2
127.03913	1.4
129.05548	0.4
131.08624	0.7
133.10126	2.8
135.08116	0.4
135.11711	1.2
147.04428	0.4
147.11758	0.9
149.13199	0.8
151.11201	1.0
159.11717	1.1
167.55608	0.4
183.13837	0.6
185.04265	0.4
187.13400	0.4
243.08417	2.4
259.34952	0.4
267.15707	0.9
269.17453	0.4
441.20963	0.5
481.88977	0.4
485.23566	9.4
519.29248	5.4
763.46002	100.0
764.46216	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.7
55.01871	0.7
55.05503	2.2
57.03421	2.8
61.02924	5.7
67.05508	6.3
67.83572	0.6
69.03423	2.9
69.07054	3.3
71.04990	0.9
71.60754	1.1
72.93283	0.6
73.02916	3.6
79.05492	5.9
79.21061	0.6
81.03419	2.3
81.07053	8.8
83.05001	0.8
83.08643	1.3
83.90450	0.7
85.02904	4.1
85.06570	1.1
91.03966	3.1
91.05466	5.2
93.07042	6.7
95.04977	1.6
95.08623	3.8
97.02882	4.2
97.06516	1.4
97.10186	1.0
99.04434	1.2
101.02360	1.7
105.07032	3.8
106.54239	0.8
107.08604	3.6
109.10164	0.9
111.63966	0.6
117.07029	2.0
119.08604	2.1
121.10143	2.1
127.03927	1.5
129.07043	1.0
131.08578	1.8
133.10133	1.6
135.11720	0.8
145.10164	1.7
147.11714	0.8
149.13306	2.0
159.11746	1.7
171.11783	0.9
235.13182	0.7
236.75128	0.7
243.08469	3.7
267.09195	0.7
269.17468	1.0
283.13947	0.7
333.20419	3.5
389.18152	0.7
389.23196	1.4
453.20905	11.5
455.18884	0.8
465.20950	3.1
514.09424	0.7
551.28217	6.3
552.28510	0.7
640.09552	0.8
677.34802	1.2
747.21240	0.7
763.42273	100.0
764.42651	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	763.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
54.47212	0.5
55.01875	0.8
55.05526	1.4
57.03436	1.9
58.98046	0.6
61.02931	4.4
61.79154	0.6
65.21638	0.5
67.05507	6.5
69.03439	3.3
69.07069	2.7
70.83562	0.5
71.04985	1.4
73.02918	3.5
79.05499	4.5
81.03424	1.8
81.07059	7.1
83.05000	1.2
83.08625	2.4
85.02910	4.4
87.04472	1.0
91.03970	2.4
91.05492	3.8
93.07037	5.0
95.04975	1.3
95.08624	2.5
97.02884	4.1
97.06532	1.3
97.10162	0.6
97.73817	0.5
99.04465	0.6
101.02399	2.3
105.07069	2.6
107.08611	2.3
109.02872	1.2
109.06550	0.6
111.85443	0.5
117.07027	1.0
119.08617	1.4
121.10178	1.5
127.03906	1.4
131.08611	1.7
133.08621	0.6
133.10229	1.3
135.08090	0.7
135.11682	1.6
145.10207	0.8
147.11700	1.1
149.13335	1.9
159.11771	1.2
185.04282	0.9
199.16954	0.9
235.13132	1.2
243.08322	2.9
333.20358	1.4
439.19128	0.9
453.20920	10.9
469.20627	0.7
551.28320	4.8
566.37213	0.7
665.34985	1.5
688.75073	0.6
723.89453	0.7
763.42340	100.0
764.42438	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05499	1.2
57.03423	1.8
61.02926	4.8
63.46929	0.4
67.05502	5.9
69.03436	3.1
69.07074	2.7
69.78179	1.8
71.05000	0.6
73.02915	3.8
79.05485	4.8
79.54375	0.4
81.03413	1.6
81.07053	7.3
83.04961	0.6
83.08611	1.4
85.02913	4.4
85.06531	0.5
87.04438	0.7
91.03951	2.5
91.05474	3.4
92.95036	0.4
93.07043	4.9
95.04962	1.2
95.08610	2.4
97.02885	4.5
97.06527	1.1
97.10133	0.6
99.04488	0.8
101.02359	1.6
105.07015	2.8
106.92397	0.4
107.08588	2.8
109.02882	1.0
109.06519	0.4
109.10136	1.0
111.04546	0.4
115.03957	0.5
117.07021	1.0
119.08578	1.4
120.62524	0.4
121.10124	2.2
127.03912	0.9
131.08609	1.1
133.10138	1.7
135.08145	0.5
135.11700	1.5
145.10104	1.1
149.09677	0.6
149.13289	1.4
159.11726	1.1
161.89128	0.5
175.07307	0.4
185.04295	0.5
235.13191	0.8
239.77788	0.4
243.08429	3.3
320.18033	0.5
333.20508	1.7
348.33820	0.4
439.19434	0.9
453.20901	9.0
501.59406	0.5
551.28381	6.4
651.33411	0.5
763.42291	100.0
764.42688	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	761.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05508	2.8
57.03439	2.4
61.02930	3.5
67.05503	7.0
68.05849	0.5
69.03432	3.4
69.07064	2.6
69.31602	0.8
69.32001	4.4
71.04972	1.0
73.02917	3.5
79.05499	4.2
81.03416	2.6
81.07056	6.9
83.04959	0.8
83.08624	1.6
85.02899	4.1
85.06536	0.8
91.03974	2.0
91.05464	3.3
93.07050	5.2
95.04970	1.1
95.08610	3.2
97.02881	3.7
97.06551	1.0
97.10162	1.4
98.20788	1.2
99.04453	1.2
101.02393	1.8
105.07037	2.2
107.04987	0.5
107.08578	3.0
109.10161	1.3
109.86063	0.5
111.08109	0.8
117.07006	1.0
119.08627	1.5
121.10174	2.1
125.09640	0.7
127.03925	1.5
131.08574	1.5
133.10135	1.6
134.78078	0.5
135.08049	0.6
135.11705	1.2
145.10181	0.9
149.13283	1.6
159.11737	0.9
163.11151	0.9
177.12798	0.6
222.86200	0.5
223.13383	1.2
235.13120	1.0
243.08365	3.0
269.17569	0.9
291.19604	0.9
331.18698	1.4
341.94116	0.5
426.80444	0.5
451.19342	0.6
453.20932	10.3
453.26657	0.8
467.19299	0.7
549.26617	2.9
741.21014	0.6
761.40765	100.0
762.41339	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	761.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01863	0.5
55.05510	1.5
57.03434	1.7
59.05001	1.3
61.02925	5.4
67.05505	3.3
69.03434	3.4
69.07069	1.1
69.92106	2.4
71.01392	0.4
71.05000	2.6
73.02915	3.4
75.04519	0.4
77.50196	0.5
79.05488	3.9
79.05890	0.4
81.03413	8.0
81.07046	4.2
83.04987	1.0
83.08630	1.6
85.02904	5.2
85.06535	1.1
87.04491	1.2
91.03953	2.6
91.05483	6.0
93.07033	3.5
95.04984	2.4
95.08632	1.7
97.02892	5.1
97.06562	1.3
99.04481	1.2
101.02393	2.0
103.03949	0.6
105.07032	3.1
107.04956	0.5
107.08619	2.4
109.02901	1.5
109.06553	0.6
109.10162	0.6
111.04437	0.5
111.08033	0.8
113.06022	0.4
115.03954	0.5
119.04957	1.4
119.08575	2.6
121.10133	3.0
123.04447	0.5
123.08042	0.4
127.03944	1.7
129.07031	1.6
131.05019	0.7
131.08540	2.7
133.10153	2.4
137.05983	1.2
143.05644	2.1
145.02885	0.5
147.04456	0.9
147.11720	2.7
149.09630	3.8
157.10210	1.5
163.11159	0.5
165.12813	0.7
167.07132	1.3
167.10739	0.5
175.03955	1.7
175.11227	1.4
177.05533	1.3
185.63460	0.4
193.12242	3.1
197.15302	0.8
201.03914	0.4
203.05377	0.7
207.06538	3.7
214.18842	0.4
221.73933	0.4
225.14903	1.2
228.12079	0.4
233.11578	0.5
243.08437	2.6
251.12067	0.5
253.14154	0.5
267.15976	2.4
283.15176	7.9
283.18057	0.5
287.05624	1.7
288.05945	1.1
289.06299	0.5
339.18005	1.7
378.90573	0.4
441.20947	0.8
469.20480	1.0
501.23083	29.5
599.33984	0.8
761.39270	100.0
762.39844	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	761.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.9
65.28838	2.0
67.05505	9.2
67.38403	1.4
68.05849	2.5
70.37589	7.0
79.05487	4.5
81.07052	8.6
91.05460	4.3
93.07064	5.6
95.04982	1.9
95.08599	3.5
105.07008	2.1
107.08593	3.4
108.42770	1.7
109.10159	3.0
119.08531	2.2
181.97382	2.1
192.57813	1.7
204.22081	2.2
229.14391	2.1
276.56747	1.8
335.25540	3.6
336.26147	3.9
483.17294	1.8
491.86218	1.7
546.39368	2.0
637.85168	1.9
761.38739	100.0
762.38947	3.1
772.36963	1.8
775.30969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.9
65.28838	2.0
67.05505	9.2
67.38403	1.4
68.05849	2.5
70.37589	7.0
79.05487	4.5
81.07052	8.6
91.05460	4.3
93.07064	5.6
95.04982	1.9
95.08599	3.5
105.07008	2.1
107.08593	3.4
108.42770	1.7
109.10159	3.0
119.08531	2.2
181.97382	2.1
192.57813	1.7
204.22081	2.2
229.14391	2.1
276.56747	1.8
335.25540	3.6
336.26147	3.9
483.17294	1.8
491.86218	1.7
546.39368	2.0
637.85168	1.9
761.38739	100.0
762.38947	3.1
772.36963	1.8
775.30969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.01859	0.2
55.05496	0.2
57.03411	0.3
60.05624	0.1
62.65198	0.1
67.05494	0.3
67.19387	0.1
68.99774	0.3
69.03435	1.1
69.57018	0.3
69.57416	0.9
69.91594	0.1
71.04965	0.4
73.02895	0.1
73.04040	0.2
79.05473	0.4
81.02989	0.1
81.03420	1.5
81.07036	0.5
81.94911	0.1
83.02444	0.2
83.04949	0.4
84.08150	0.1
85.02906	1.5
87.00831	0.3
87.06720	3.5
91.05476	0.3
93.07049	0.6
95.04957	0.4
95.08589	0.4
97.02917	1.3
98.20760	0.2
99.04446	0.3
99.08089	0.4
105.07031	0.5
107.04946	0.2
107.08607	1.2
109.02881	2.1
109.06512	0.4
109.10155	0.3
110.07162	0.3
111.04449	0.3
111.06683	0.1
113.04594	0.4
119.04946	0.2
119.08545	0.2
121.06494	0.4
121.10152	0.9
123.04424	0.2
123.08057	0.4
125.09618	0.2
126.03027	0.2
127.03930	2.3
129.01874	0.2
131.08578	0.4
133.10112	0.7
135.04424	0.3
135.08052	0.5
137.05981	0.2
137.09569	0.3
141.01810	0.3
141.04071	1.1
142.04898	0.3
143.05643	100.0
144.05988	0.4
145.02852	0.2
145.04971	0.3
147.04436	0.2
147.11676	0.2
149.09613	1.4
149.13289	0.4
151.03905	1.8
151.11200	0.4
153.01834	0.5
161.09653	0.1
163.14752	0.8
163.28023	0.1
167.05734	0.2
167.07108	0.2
169.04927	0.1
173.13333	0.6
175.03957	0.3
177.05466	0.3
181.04930	0.2
185.06732	0.8
189.05754	0.1
191.14302	2.0
191.15855	0.2
195.02792	0.2
207.06529	0.3
209.15373	3.5
213.03944	0.5
231.05057	0.4
233.06696	0.3
287.05505	9.4
288.05850	0.4
303.05212	0.2
305.10947	2.2
321.06439	0.2
339.07144	0.3
357.08133	0.3
359.02286	0.2
373.09952	2.8
373.14410	0.2
375.09579	0.2
433.12234	0.5
499.13245	1.4
517.14276	1.1
535.15259	4.5
553.15863	0.2
599.14044	0.3
643.30450	0.1
709.87952	0.2
722.06799	0.1
761.30969	4.7
764.40649	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	761.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05504	0.5
55.99850	0.3
56.92983	0.3
57.03433	0.5
62.46498	0.3
68.05022	0.4
69.03438	1.8
69.07062	0.5
70.06592	0.5
70.72511	1.0
71.04982	0.8
79.05480	0.6
81.03428	1.9
81.07053	0.7
83.04984	0.3
84.62139	0.3
84.94775	0.3
85.02901	2.1
87.00819	0.5
87.06715	3.8
91.05475	1.0
93.07047	0.9
95.04945	0.7
95.08586	0.8
97.02894	1.7
97.06536	0.4
99.04434	0.6
99.08050	0.4
105.07019	1.0
107.04964	0.5
107.08572	1.3
109.02866	2.9
109.10167	0.6
111.04435	0.3
119.04933	0.6
119.08627	0.3
121.02911	0.5
121.06514	1.1
121.10175	1.1
123.04472	0.5
127.03908	3.4
131.08574	0.4
133.10094	0.7
135.08041	0.8
137.05940	0.8
141.04088	0.9
143.05644	100.0
144.05989	0.7
145.05011	0.6
145.10051	0.5
147.04408	0.5
147.11731	0.5
149.06050	0.4
149.09639	1.6
149.13216	0.4
151.03905	1.1
151.11122	0.5
153.05487	0.4
163.14807	0.7
167.07043	0.8
173.13191	1.0
177.05452	1.2
185.06717	0.6
191.14261	2.6
196.65276	0.3
207.06509	0.4
209.15399	4.5
213.03880	0.4
231.04985	0.5
254.63217	0.4
270.13867	0.3
271.06314	0.4
287.05457	0.7
303.04895	0.6
305.10895	2.9
373.09885	2.0
433.11713	0.5
499.13055	0.7
517.13928	1.0
535.15173	3.2
743.29376	0.5
761.31146	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	761.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01872	0.2
57.03436	0.2
60.05635	0.2
61.02927	0.2
67.05494	0.1
68.99789	0.1
69.03442	0.7
70.06585	0.2
71.01334	0.1
71.04974	0.4
71.60372	0.2
71.60777	0.2
73.02919	0.1
73.04004	0.2
74.06065	0.1
79.05505	0.5
81.03403	0.7
81.07041	0.1
83.02452	0.2
85.02904	1.4
86.09689	0.1
87.06717	3.7
91.05488	0.7
93.07045	0.3
94.48472	0.1
95.04964	0.2
95.08615	0.1
97.02885	0.7
97.19514	0.1
99.04447	0.6
101.03529	0.2
101.78115	0.1
103.05460	0.2
105.07037	3.3
107.04952	0.2
107.08582	0.3
109.02884	0.5
109.06505	0.2
113.04599	0.3
113.40857	0.1
115.05474	0.2
115.06175	0.1
117.07017	0.3
119.04906	0.2
119.08578	0.4
121.02872	0.2
121.06565	0.2
121.10133	0.1
123.04391	0.2
124.07568	0.1
125.04641	0.1
126.02956	0.2
127.03934	0.9
128.06236	0.1
129.07018	0.1
131.03320	0.1
131.08539	0.3
133.06477	0.5
133.10133	2.1
136.07491	0.1
137.05977	0.3
141.01804	0.1
141.04074	0.9
141.05206	0.1
142.04848	0.2
143.05644	100.0
144.05975	0.1
145.02930	0.1
145.04994	0.2
145.06473	0.6
145.10199	0.2
146.06891	0.2
147.04416	0.3
147.08008	0.1
151.03932	1.5
151.05011	0.1
151.07568	0.2
153.05469	0.1
157.09952	0.1
159.08060	0.2
161.06020	0.2
161.09618	2.6
163.05983	0.2
163.07489	0.1
163.11163	0.4
167.05783	0.2
167.07056	1.0
168.07396	0.2
171.08080	0.2
173.05948	0.6
173.09607	0.1
173.13240	0.2
174.06429	0.4
175.03903	0.2
176.49487	0.1
177.05544	0.4
177.09090	0.1
179.10661	0.3
185.06750	0.4
187.07510	0.1
189.09081	0.7
190.06296	0.4
191.06786	0.1
193.08659	0.2
203.06880	0.1
205.08617	1.1
206.08939	0.6
207.06561	0.5
207.10117	0.3
217.08621	0.6
218.08931	0.1
235.09669	0.2
265.10690	0.5
266.11160	0.3
271.06024	0.1
285.56479	0.1
287.05536	0.7
305.10971	0.2
312.60080	0.1
315.12592	0.2
323.14859	0.3
333.13342	0.3
351.14429	2.9
371.15250	0.1
373.09775	0.2
383.15115	0.1
457.17371	0.1
475.18701	0.1
493.19360	3.0
493.26001	0.2
493.30649	0.1
517.13757	0.1
535.15411	0.5
553.15692	0.2
585.24036	3.0
743.26416	0.3
761.27222	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	760.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01874	5.3
55.05513	22.6
57.03437	20.2
57.06326	1.2
57.07084	2.4
57.18727	1.3
58.18356	1.2
61.02928	8.3
65.03944	2.3
67.05507	78.4
68.05837	2.9
69.03434	6.7
69.07072	18.3
70.58765	2.1
70.59099	2.8
71.04992	5.2
73.02899	4.0
79.05496	54.6
79.05965	2.7
80.05810	3.0
81.03422	76.5
81.07059	74.4
82.07395	2.0
83.04973	8.6
83.08621	22.3
85.02911	8.4
85.06555	4.7
91.03961	3.8
91.05486	46.7
92.05828	2.2
93.07047	58.7
93.07630	3.4
94.07370	1.5
95.04968	32.1
95.08607	48.7
96.08994	1.7
97.02894	9.3
97.06562	6.7
97.10168	9.1
98.03262	1.4
99.04475	3.5
99.08101	2.5
101.02383	2.3
102.56424	1.5
105.07030	34.4
107.04943	10.0
107.08594	34.3
109.02943	1.6
109.06531	5.2
109.10162	26.0
110.63614	1.3
111.04485	2.8
111.08099	6.0
111.28113	1.5
117.07034	10.6
119.04990	1.8
119.08591	31.1
121.06546	5.1
121.10147	26.6
122.10483	1.5
123.04459	1.6
123.08069	4.6
123.11691	8.0
125.09599	6.7
127.03894	1.5
129.06979	9.9
131.08578	21.9
133.06526	4.0
133.10146	20.1
135.08069	1.7
135.11691	14.6
137.06087	1.6
137.09650	3.4
137.13307	2.0
142.07787	1.9
143.08592	5.3
145.10117	12.6
147.08096	5.8
147.11685	17.9
149.09657	6.3
149.13252	8.9
151.11136	1.5
155.08588	2.1
157.10144	12.6
159.11673	9.3
161.13280	8.8
163.11237	3.4
163.14856	4.0
165.12837	2.2
171.11775	4.5
173.09676	1.7
173.11909	1.8
173.13297	6.2
175.11171	9.5
175.14789	3.3
177.12683	2.5
181.10196	1.5
185.13281	3.7
187.14854	3.2
189.11261	3.9
189.12857	1.6
193.12282	20.8
211.13266	2.1
227.12859	6.2
233.15381	1.8
235.13110	2.1
243.08487	2.3
243.21170	3.9
249.14937	2.7
261.22192	16.9
267.15918	91.4
269.17715	1.3
279.23230	1.5
285.16971	3.5
299.23544	1.9
301.25385	5.5
302.16852	3.2
309.16949	3.9
317.24850	3.1
335.25827	88.1
336.26321	4.6
337.26672	1.6
375.57620	1.4
379.69446	1.7
403.24911	2.1
421.25861	3.0
435.27457	1.8
435.32739	6.3
453.21915	1.8
453.33563	10.2
465.21219	4.6
466.21411	4.5
471.34720	7.0
475.48267	1.6
505.35129	2.0
527.37372	63.9
536.28894	2.9
541.86267	1.4
545.38397	46.1
563.39227	6.2
569.38666	4.9
664.66986	1.7
760.43250	100.0
761.41095	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01844	0.5
55.05491	0.5
61.02934	1.1
61.32903	0.5
67.05486	0.8
69.03423	2.8
70.06583	0.5
70.58101	1.0
70.58457	1.3
71.04958	0.6
73.02888	0.5
78.04703	0.6
79.05491	2.0
81.03409	7.9
81.07037	0.5
85.02904	6.7
87.06718	4.1
87.07171	0.8
91.05471	2.4
93.07011	0.9
95.04974	1.1
95.08596	1.7
97.02909	3.5
99.04439	1.1
103.05457	1.2
104.60661	0.5
105.07017	1.5
107.04949	6.2
109.02870	2.2
111.04417	0.6
111.06705	0.6
115.05431	4.0
117.03345	0.6
117.07015	11.0
119.04905	0.9
119.08578	1.2
121.06480	0.6
123.04415	1.4
123.08046	1.0
124.05231	1.4
125.05978	1.0
127.03922	3.5
128.04251	0.7
129.07011	2.4
131.04890	1.0
131.08563	2.4
133.06483	1.5
133.56985	0.5
137.05983	1.0
137.09589	0.6
141.03995	0.7
143.05640	100.0
144.03972	1.0
144.06056	13.1
145.02834	1.7
145.04932	1.2
145.05156	1.0
145.06471	25.5
147.04434	0.6
147.11676	0.5
149.09612	1.7
150.09900	0.7
152.04712	0.6
155.06027	1.9
156.05687	4.4
157.06459	1.2
159.08080	4.2
161.05925	2.5
162.07599	0.8
167.05814	0.7
167.07033	29.0
173.05980	44.2
174.06497	0.9
175.03853	1.0
175.07495	0.9
177.05464	2.7
178.05797	1.2
180.08641	1.6
181.04947	0.6
184.05182	1.7
185.06749	0.9
187.07544	3.6
189.12732	1.0
190.06235	26.5
190.12962	0.6
191.06953	1.2
193.08638	1.0
202.06232	2.6
203.07019	4.7
203.47000	0.5
205.08592	67.1
206.09027	0.8
207.06503	2.0
207.13716	2.6
208.14079	0.7
215.06989	0.7
217.08592	29.1
218.09207	0.6
219.08208	1.0
219.10022	3.0
223.09666	1.7
235.09647	20.8
247.07657	0.7
247.09662	4.6
248.08278	0.6
263.10715	0.9
264.07675	0.6
265.10718	32.4
269.08151	0.9
271.09659	1.0
271.60193	0.6
276.07874	0.9
277.08344	0.7
279.10199	1.0
287.05542	0.7
293.08170	0.8
299.09033	0.7
305.11005	2.0
306.11276	1.1
307.09760	0.9
308.10449	0.6
315.08585	3.2
323.12781	1.4
325.10965	0.6
330.11020	5.0
331.11716	1.9
337.10608	0.8
339.11957	0.7
349.19019	0.5
351.12302	2.4
353.10019	0.6
356.12631	0.8
368.12335	0.6
371.14850	1.7
373.09888	1.1
374.10214	0.8
383.14801	8.1
401.15930	11.3
459.08691	0.5
481.15076	0.6
500.13812	0.8
517.14282	0.8
518.13782	0.7
535.15234	1.5
536.15399	3.7
553.16211	1.7
554.16595	4.4
683.44348	0.7
742.28278	0.9
760.29236	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	759.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01884	1.5
55.05526	3.6
57.03450	2.9
61.02926	4.2
65.03954	0.7
67.05506	12.9
68.05841	0.9
69.03428	2.6
69.07063	3.4
69.31413	1.5
69.31837	3.0
71.04997	1.1
73.02924	2.9
76.83358	0.4
79.05496	13.2
80.05831	1.2
81.03412	3.4
81.07059	11.8
82.07401	1.7
83.04987	2.6
83.08609	2.0
85.02906	5.0
85.06066	0.4
85.06559	1.0
91.03975	2.2
91.05477	8.5
92.05847	0.6
93.07041	12.4
94.07389	1.2
95.04993	3.2
95.08607	6.4
96.05299	0.6
96.08955	1.0
97.02898	4.0
97.06553	2.2
97.10159	0.5
98.20725	0.8
99.00932	0.4
99.04490	0.6
101.02405	1.2
105.07030	6.2
106.07334	0.5
107.04971	3.3
107.08592	5.5
108.08945	0.8
109.02892	1.0
109.06532	1.0
109.10152	2.8
111.04456	1.9
111.08134	1.0
112.04803	0.8
117.07011	2.8
119.08591	4.9
121.06528	0.8
121.10145	5.5
122.10492	0.9
123.08096	0.7
123.11673	0.6
127.03937	1.4
129.05534	0.6
129.07028	1.3
131.08594	2.0
132.08910	0.5
133.10132	3.2
135.11688	4.2
136.12061	0.6
143.08562	1.0
145.06580	0.6
145.10143	4.5
146.10493	0.8
147.11678	3.8
149.09641	0.9
149.13297	1.6
153.12753	0.8
155.08611	0.8
157.10144	0.5
158.44431	0.4
159.11754	1.8
161.13303	1.7
163.11174	2.7
163.14911	0.7
164.11555	1.0
171.11736	1.3
173.09709	1.5
173.13269	0.6
181.12305	0.9
182.12608	0.5
185.04199	0.9
191.10719	1.7
192.10901	0.5
199.14803	0.4
209.11807	0.9
227.12851	1.8
228.13148	0.8
243.08429	3.9
247.13106	1.8
259.07904	0.5
259.20667	0.9
261.22110	1.0
262.22528	1.0
263.09552	0.5
265.14462	2.6
266.14783	1.4
267.16086	0.6
275.20346	0.6
281.10715	0.5
281.17545	0.8
283.15463	5.4
284.15735	3.1
287.16373	0.7
301.09103	1.1
301.16385	3.0
302.16833	2.2
303.15811	0.6
318.25470	0.5
333.24323	0.7
335.25812	5.9
336.26123	4.9
373.10895	0.5
379.19861	0.8
465.20941	10.4
481.20364	0.5
516.38208	0.5
526.36249	1.1
527.37585	0.7
535.28717	5.5
537.23248	1.3
543.36890	1.5
544.37152	5.8
545.38733	0.7
561.38019	1.3
562.38196	7.8
759.42902	100.0
760.43292	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	759.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	1.5
71.04981	1.3
78.63969	0.9
79.05505	1.1
81.07079	1.9
103.83935	1.1
160.10254	0.9
176.25902	0.9
206.58215	1.0
261.12054	1.1
386.64310	1.0
535.26648	2.0
606.41711	1.1
759.40826	100.0
760.41760	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	758.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01866	1.3
55.05267	0.9
55.05514	13.9
55.10755	0.6
57.03436	5.8
57.07060	2.5
59.04992	1.3
61.02926	2.8
64.75289	0.5
65.03944	2.0
67.05505	63.0
69.03419	1.5
69.07073	10.7
71.04596	0.9
71.04993	16.5
73.02894	0.7
73.06530	0.7
79.05495	33.9
81.03429	0.9
81.07056	90.9
82.07401	1.1
83.04986	3.8
83.08619	7.6
84.45372	0.5
85.02906	2.0
85.06551	7.5
91.03968	1.1
91.05482	26.6
93.07043	38.1
94.07360	0.9
95.04983	3.9
95.08609	26.3
97.02885	1.6
97.06525	4.6
97.10154	2.8
98.21523	1.0
99.08100	1.0
105.07028	14.3
107.08597	21.9
109.06518	2.4
109.10159	12.1
111.08081	2.0
115.05464	0.5
116.86061	0.5
117.07006	5.2
119.08572	8.1
121.10149	15.9
123.08110	0.9
123.11714	13.1
125.09639	1.0
131.08565	7.6
133.10135	16.8
134.10492	0.7
135.11697	8.9
137.13315	0.5
139.11188	0.6
145.10109	4.3
147.11687	5.0
149.09561	0.5
149.13255	6.3
151.11157	4.7
157.10143	0.8
159.11664	6.7
161.13269	2.4
163.14813	1.1
169.12242	1.4
171.11697	0.7
173.13266	2.4
175.14885	1.1
177.12794	1.8
179.14494	0.8
183.13809	2.0
187.13316	4.2
187.14810	1.0
195.13829	2.0
201.16478	0.8
213.16524	0.8
227.16464	1.9
241.13599	0.6
243.15904	0.9
243.21066	1.2
253.17918	0.7
257.17645	1.7
259.20508	0.7
261.22195	2.5
267.33820	0.7
269.17435	6.8
283.19183	0.7
301.20105	14.2
317.24930	1.6
335.25784	35.8
336.26144	0.9
361.27438	0.7
393.31396	0.7
411.32697	1.1
429.98380	0.6
485.36368	2.0
491.61508	0.6
503.37323	100.0
504.37766	5.1
517.38751	3.7
529.38873	13.4
561.41504	91.4
562.41895	4.5
647.41370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
54.19479	1.1
55.01873	10.0
55.05260	1.9
55.05511	24.4
56.05011	1.5
57.03441	15.0
57.07074	2.6
61.02921	4.3
65.03933	2.8
67.05504	82.5
68.08435	1.1
69.03415	6.3
69.07068	32.1
69.45614	6.7
69.46021	2.7
71.04990	6.9
72.04514	3.9
73.02912	2.4
79.05492	58.1
81.03420	11.9
81.07056	100.0
83.04971	11.6
83.08624	22.0
85.02908	6.7
85.06528	5.0
91.03958	2.5
91.04896	2.1
91.05476	44.5
93.07041	71.8
95.04968	11.5
95.08609	30.6
97.02889	4.6
97.06522	18.8
97.10172	10.8
98.20658	2.2
99.04451	2.0
99.08089	4.3
105.07027	30.1
107.04948	8.1
107.08591	46.5
109.02889	1.2
109.06547	6.3
109.10156	10.2
110.93601	1.1
111.04411	1.3
111.08094	8.5
113.09637	1.2
115.05450	1.1
117.07014	13.5
119.08582	20.1
121.06509	4.5
121.10141	23.7
123.04433	1.5
123.08063	2.9
123.11697	4.0
125.09624	9.7
127.03874	2.8
128.06232	1.3
129.05515	1.4
129.06999	4.7
131.08575	21.1
133.10124	18.9
135.08025	4.9
135.11674	18.4
137.09610	3.0
139.11157	1.5
143.08586	2.7
145.10117	12.6
147.08072	1.5
147.11690	10.2
149.09634	12.2
149.13245	29.0
151.11119	1.4
153.09192	1.3
157.10130	2.9
159.11694	21.7
161.09641	1.5
161.13258	4.9
163.11140	7.8
164.14305	1.3
165.12749	1.2
166.60204	1.1
169.10112	2.3
171.11658	3.7
173.04486	2.2
173.13298	4.5
175.11101	1.5
177.12714	8.3
179.14326	2.9
183.11649	2.1
187.11334	1.6
189.11243	4.6
189.12778	1.2
195.13824	15.0
197.13158	1.7
199.16888	2.4
205.12141	1.5
211.13193	1.7
213.14842	2.7
227.12776	16.6
229.14365	1.4
229.19458	2.0
239.17915	4.2
247.20576	1.4
255.15958	6.7
257.19012	10.2
259.20517	1.8
262.18048	1.4
267.15924	3.5
269.17484	93.9
270.17749	1.7
275.20065	31.4
285.16956	1.6
293.21048	2.7
331.22626	2.4
333.24197	1.4
335.25830	2.1
349.23743	27.3
365.23169	2.2
367.24680	1.4
423.27399	3.5
426.94159	1.4
439.26978	6.1
445.29333	2.2
447.31165	1.9
449.29001	22.8
463.30566	86.6
464.31070	1.5
503.33643	1.9
525.35724	2.9
543.36810	50.2
561.38031	10.7
596.41278	3.7
607.34753	1.7
640.82013	1.3
780.43359	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.01857	6.6
55.02104	1.5
55.05510	28.0
57.03190	1.9
57.03440	22.7
57.07061	4.5
59.04972	1.8
61.02912	6.4
65.03927	4.7
67.05505	96.5
69.03418	5.8
69.07067	23.4
71.01332	3.3
71.04994	8.8
71.08617	2.1
73.02884	1.9
79.05493	62.4
81.03414	17.2
81.07056	86.3
82.07404	1.9
83.04976	21.3
83.08624	16.7
85.02906	13.0
85.06538	5.3
91.03964	3.6
91.05481	43.6
93.07044	72.5
95.04977	19.3
95.08602	55.8
97.02899	15.4
97.06533	11.4
97.10160	6.0
99.04432	3.4
99.08137	2.8
105.07030	31.9
107.04967	14.1
107.08596	43.8
109.02925	2.2
109.06513	7.2
109.09476	2.2
109.10159	29.9
111.04446	16.8
111.08057	5.7
111.11722	1.9
113.05994	2.1
115.05415	1.7
117.07018	16.7
119.08575	25.8
121.06522	6.6
121.10147	35.2
123.08051	6.6
123.11723	7.7
125.05976	3.1
125.09602	4.9
129.06967	6.1
131.08572	22.2
133.10127	23.3
135.08025	2.8
135.11690	38.1
137.09578	5.0
139.11201	2.4
143.08556	6.3
144.06456	1.9
145.06476	2.1
145.10121	25.7
147.08017	4.7
147.11682	12.5
149.09624	5.7
149.13268	7.6
151.07475	1.5
151.11205	3.5
153.12709	9.3
155.08566	3.5
157.10110	3.9
159.11674	9.7
161.09541	2.2
161.13243	7.4
163.11182	33.6
163.14812	2.4
165.09111	2.5
165.12764	1.8
169.10161	2.2
171.11670	3.2
173.09641	8.3
173.13226	6.8
175.11166	2.1
175.14795	3.4
180.90012	1.5
181.12236	8.3
182.40788	1.7
184.07454	1.6
185.13290	2.1
187.14813	4.3
191.10690	13.7
193.12329	2.2
199.14908	2.4
209.11705	33.2
227.12787	23.3
229.14314	1.8
241.19591	2.0
242.78381	1.7
243.21115	4.5
253.14288	1.8
255.15974	1.9
259.20496	4.4
261.22116	17.5
265.14319	3.2
273.22095	4.2
277.21790	2.4
283.15414	61.2
285.17145	1.6
299.14536	2.2
299.23611	2.8
301.16437	46.7
302.16867	2.0
315.23108	3.2
317.24692	3.9
331.22784	1.9
333.24060	2.1
335.25806	100.0
336.26129	6.5
433.30972	6.0
451.31937	12.1
469.33044	6.7
519.62164	1.7
525.35724	20.4
543.36829	87.2
544.36566	4.5
554.33405	1.8
561.37787	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01877	4.1
55.05513	20.7
57.03439	13.0
61.02923	3.0
63.69571	1.2
65.03954	3.0
67.05505	66.9
68.05843	1.6
69.03424	7.1
69.07069	27.0
69.85025	2.8
69.85443	4.6
71.04993	6.0
73.02921	3.2
74.81451	1.2
79.05489	46.7
80.05808	1.6
81.03418	19.8
81.07056	100.0
81.48724	1.2
82.07374	2.5
83.04985	9.4
83.08615	15.4
85.02914	5.9
85.06567	3.3
91.03966	2.0
91.05483	34.5
93.07045	57.7
94.07374	2.1
95.04971	13.6
95.08606	26.1
95.09164	2.3
95.21943	1.2
96.08963	2.1
97.02916	5.6
97.06512	11.6
97.10176	4.5
99.04463	1.8
99.08106	3.8
100.10588	1.5
105.07030	21.2
107.04945	6.3
107.08588	32.5
109.06525	11.0
109.10145	9.9
111.08062	6.8
115.05515	1.9
117.07005	12.1
119.08577	19.0
121.06534	4.2
121.10143	20.1
123.08111	6.2
123.11694	6.5
125.09656	3.8
127.03933	4.8
128.06242	1.8
129.07013	3.1
131.08562	16.3
132.08080	36.6
133.06526	1.8
133.08908	12.1
133.10155	20.1
134.09692	3.6
135.08098	4.0
135.11702	14.3
143.08566	3.5
145.10120	9.5
146.09694	5.6
147.08041	1.6
147.11722	12.4
149.09644	6.6
149.13271	17.9
151.11243	3.4
157.10147	3.1
159.11687	13.2
161.13281	1.9
163.11214	5.8
163.14886	1.9
169.34822	1.3
171.11745	2.0
173.09607	1.6
173.13313	3.6
175.11200	2.5
175.14819	1.8
177.12790	5.8
185.13377	1.6
193.12337	1.9
195.13802	9.8
207.05371	1.3
211.13321	2.4
213.14917	1.7
227.12772	2.0
247.20691	1.9
255.15948	1.7
257.19101	3.0
259.20776	1.8
262.18015	78.2
267.16116	3.8
269.17496	63.3
275.20087	26.7
277.21732	1.6
285.17004	2.9
293.21173	5.3
302.21271	1.9
308.98224	1.4
318.20679	3.5
335.25739	7.7
336.26328	4.7
341.39688	1.3
349.23700	18.0
363.25528	3.3
364.25513	2.7
367.24765	7.7
391.60696	1.7
445.29730	2.3
449.28885	11.2
463.30539	36.7
480.26089	5.9
525.36011	1.5
543.36859	48.5
561.37836	30.7
596.42651	2.8
599.90863	1.5
758.48395	56.5
759.50226	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01872	6.7
55.05510	32.3
57.03436	19.3
57.07070	4.4
57.93562	1.5
59.04991	1.4
59.32468	1.8
61.02925	5.5
61.67614	1.4
65.03940	6.3
67.05502	100.0
69.03423	6.7
69.07072	27.8
70.64524	1.7
70.64883	4.8
71.04991	5.2
73.02942	2.1
77.03926	2.7
77.16563	1.6
79.05492	75.3
81.03412	11.4
81.07057	90.1
83.04974	16.7
83.08614	15.6
83.18384	1.4
85.02916	8.2
85.06535	5.5
91.03982	3.5
91.04905	1.9
91.05478	58.5
93.07041	74.3
95.04968	23.1
95.08605	55.1
95.09232	1.7
97.02892	10.1
97.06544	12.4
97.10167	7.2
99.04469	2.5
99.08085	2.4
105.04576	1.9
105.07025	45.8
107.04936	12.2
107.08586	47.8
109.02866	1.9
109.06507	12.4
109.10152	32.5
111.04437	15.5
111.08080	6.4
112.95610	1.6
113.05978	2.2
115.03934	1.5
115.05464	2.8
116.06255	2.3
117.07018	23.3
119.08581	38.2
121.06513	5.9
121.10141	29.9
123.08055	5.5
123.11752	9.6
125.05981	3.9
125.09651	5.7
127.03914	2.4
128.06253	4.9
129.06963	10.9
130.07814	2.7
131.04927	2.2
131.08566	30.7
133.06505	2.9
133.10136	31.0
135.08083	6.7
135.11694	29.3
137.09636	5.6
139.11198	2.3
141.06979	2.0
142.07758	1.9
142.39751	1.6
143.08575	11.7
145.06482	5.9
145.10123	34.0
147.08049	5.8
147.11673	14.2
147.20111	1.6
149.09554	8.1
149.13260	7.6
151.11166	4.3
153.12700	3.0
155.08534	9.5
157.10106	7.8
159.08080	3.5
159.11694	14.8
161.09618	6.7
161.13249	9.0
163.11186	16.4
163.14790	2.6
165.12755	1.5
169.10114	4.1
171.08049	2.6
171.11655	8.7
173.09644	10.5
173.11835	2.7
173.13171	10.1
175.11188	3.4
175.14796	2.8
177.12743	2.4
181.10114	2.1
181.12239	5.0
183.11696	5.5
185.09671	2.4
185.13266	6.3
187.14880	4.0
189.11247	2.8
189.12639	3.8
190.74452	1.7
191.10663	7.4
195.11749	2.9
197.13297	3.5
199.11147	2.6
199.14795	2.9
201.12700	1.9
201.16516	2.5
209.11684	18.4
209.13329	3.0
211.14900	2.6
225.16452	2.5
227.12796	6.8
227.16341	2.0
229.14229	3.3
243.21101	3.9
253.14349	2.9
253.19695	3.3
255.15874	3.4
259.20642	6.4
261.22137	11.1
270.54382	2.0
271.20544	3.1
273.18735	1.7
273.22189	5.9
283.15408	63.7
283.18530	3.3
285.16953	2.2
289.21588	4.3
298.75195	1.7
299.20258	2.3
301.16507	13.9
301.21555	4.2
306.33252	1.9
313.21649	2.0
315.23206	8.7
317.21329	2.9
317.24738	2.7
333.24332	2.4
335.25766	57.6
343.22528	2.0
363.25504	2.4
373.23608	1.9
389.27060	2.5
391.24814	1.8
415.30032	1.9
423.32294	2.2
433.30927	7.5
451.32086	12.9
464.10535	1.9
469.33011	12.0
487.34036	4.5
503.37375	1.8
507.34302	3.0
515.37518	3.1
525.35687	26.0
543.36823	97.5
561.37793	30.7
626.35242	1.7
705.42291	2.7
758.45142	1.8
759.95972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01863	0.9
55.05511	2.5
57.03440	1.6
61.02922	4.7
65.03963	0.7
67.05505	8.0
69.03426	2.4
69.07075	3.9
69.45666	0.7
73.02911	2.8
79.05488	8.8
81.03410	2.9
81.07064	7.5
82.07375	0.7
83.04988	1.8
83.08624	1.7
85.02904	3.4
91.03978	2.1
91.05469	6.8
93.07047	7.7
95.04974	2.7
95.08623	4.8
97.02879	3.7
97.06535	1.5
97.10181	0.8
101.02383	1.4
105.07024	5.7
107.04981	1.4
107.08587	4.1
109.06565	1.3
109.10171	2.0
117.07034	1.4
119.08576	3.8
121.10181	1.5
123.08124	0.9
125.09631	0.9
129.06992	1.1
131.08562	2.0
133.10139	3.4
135.08087	0.7
135.11714	1.7
143.08511	1.1
145.10167	1.6
147.11702	2.1
157.10168	0.8
161.13304	1.4
163.11273	1.0
171.11679	0.6
203.05470	0.8
243.08366	2.9
247.13089	1.4
261.22244	0.8
299.14957	3.2
300.15356	1.4
315.19330	3.8
335.25833	3.0
336.26138	1.6
465.20883	8.9
533.27319	7.9
560.36420	1.4
757.41290	100.0
758.41077	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	757.2185
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01859	0.1
57.03441	0.6
67.01856	0.2
68.99775	0.1
69.03413	0.1
70.06583	0.1
70.93822	0.2
70.94218	0.1
71.04997	3.2
75.04446	0.2
81.03368	0.1
83.04961	0.1
83.07152	0.1
85.02909	3.8
87.04440	0.1
87.06716	0.1
87.47514	0.1
91.98201	0.1
97.02863	0.1
109.02826	0.1
110.07122	0.1
111.04400	0.2
119.04947	0.1
127.03901	0.1
129.05472	0.8
135.04422	0.7
137.02310	0.3
137.05882	0.1
143.05650	2.9
147.04344	0.1
147.06523	0.1
153.01839	2.1
161.02348	0.4
163.03888	0.1
171.02901	0.5
175.03883	0.1
177.05432	0.2
179.03378	0.2
203.03331	0.1
207.06458	0.2
218.80098	0.1
219.06435	0.1
223.06001	0.5
241.04880	0.3
245.04414	0.1
259.05945	0.1
267.58188	0.1
269.04483	0.2
286.04587	0.1
287.05502	100.0
288.05829	1.1
329.06818	0.1
371.36011	0.1
401.33817	0.1
402.04956	0.1
449.10815	26.1
450.11334	0.3
528.09961	0.1
595.16675	0.4
611.16095	11.8
612.16437	0.2
757.22302	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	757.2177
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.05491	0.1
57.03407	0.4
67.01814	0.2
68.99786	0.1
69.03381	0.4
70.06562	0.3
71.04993	3.2
71.34945	0.3
72.08115	0.1
73.02906	0.2
75.04440	0.2
75.42033	0.1
81.03390	0.2
83.04964	0.2
85.02903	4.0
86.09662	0.1
89.03881	0.1
91.05437	0.2
95.04951	0.1
97.02859	0.2
111.04422	0.2
117.03296	0.1
119.04889	0.2
121.02853	0.1
121.21183	0.1
129.05475	0.7
135.04390	0.7
137.02310	0.3
137.05994	0.3
143.05646	1.1
145.02849	0.2
147.04286	0.2
153.01816	2.3
161.02312	0.3
171.02841	0.5
177.05438	0.3
179.03426	0.1
207.06467	0.1
207.13850	0.1
217.04985	0.1
219.06425	0.2
241.04893	0.3
269.04364	0.2
286.04718	0.3
287.05478	100.0
288.00571	0.1
288.05804	1.6
295.05972	0.2
299.05530	0.2
313.07077	0.1
329.06479	0.4
336.64639	0.1
412.00964	0.1
449.10779	37.8
450.11047	0.5
490.18820	0.1
565.69189	0.1
595.15900	0.2
611.16034	14.1
612.16327	0.3
616.29718	0.1
757.21698	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	757.2174
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01844	0.1
57.03397	0.4
61.02912	0.1
67.01855	0.2
68.77130	0.1
68.99786	0.2
69.03383	0.4
70.06551	0.2
70.94937	0.1
71.04990	3.2
71.60956	0.1
72.08110	0.2
73.02911	0.1
75.04446	0.1
81.03397	0.2
81.41762	0.1
83.04951	0.2
84.08124	0.2
85.02904	3.8
87.04462	0.1
91.05437	0.2
94.57220	0.1
95.04947	0.2
97.02839	0.4
99.04426	0.1
111.04404	0.2
117.03432	0.1
119.04898	0.1
121.02800	0.1
127.03886	0.2
129.05452	0.6
132.00078	0.1
135.04420	0.6
136.07530	0.1
137.02295	0.4
137.05927	0.2
143.05644	1.2
145.02771	0.1
147.04417	0.2
151.03889	0.1
153.01817	2.0
161.02296	0.3
163.03867	0.2
167.06952	0.1
171.02881	0.5
175.03983	0.1
177.05435	0.3
179.03432	0.2
194.28664	0.1
207.06512	0.2
219.06424	0.2
231.06407	0.1
237.02829	0.1
241.04993	0.4
259.06198	0.1
286.04892	0.3
287.05487	100.0
288.05814	1.5
299.05548	0.1
303.04901	0.1
329.06476	0.3
335.09790	0.1
449.10794	36.6
450.11194	0.7
491.12021	0.1
595.17163	0.1
611.16052	13.1
612.16095	0.2
757.23993	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	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75563	1.2
53.03934	3.8
53.85502	1.2
55.01861	5.3
55.05271	1.5
55.05515	24.3
57.03446	8.6
61.02916	2.8
63.69133	1.2
65.03928	3.3
67.05508	54.1
69.03433	6.5
69.06728	2.1
69.07072	28.1
71.04987	4.1
71.60159	1.7
77.03902	1.0
79.05499	38.0
79.05964	1.8
81.03421	8.5
81.07063	59.6
83.04987	7.0
83.08221	1.2
83.08633	12.9
85.02895	3.1
85.06535	4.4
89.16884	1.0
91.05487	34.0
93.07050	43.7
95.04974	10.9
95.08614	18.2
97.02900	7.2
97.06538	8.8
97.10174	9.7
103.05453	2.0
105.04528	1.3
105.07030	20.2
107.04988	6.0
107.08596	28.8
109.02885	2.2
109.06509	4.2
109.10174	13.9
111.04429	1.5
111.08084	4.4
117.07004	10.7
119.08583	12.2
121.06508	5.1
121.10150	12.9
123.08075	2.9
123.11722	4.2
125.09621	6.7
129.06996	3.3
130.07794	1.8
131.08580	12.3
133.06480	2.6
133.10139	22.7
135.08058	5.2
135.11696	7.3
137.09616	2.0
143.08556	4.5
145.10141	7.3
147.08046	5.1
147.11684	5.1
149.09604	3.5
149.13272	12.6
151.11183	5.4
157.10127	3.2
159.08095	1.6
159.11696	6.4
161.09578	3.2
163.07394	1.2
163.11200	1.7
165.09079	1.7
167.14372	1.5
169.12256	3.0
175.11172	3.0
175.14803	1.4
177.09016	1.2
177.12782	4.8
187.09027	1.1
189.11142	2.7
189.12752	1.2
193.12428	1.3
195.13805	9.1
205.11998	1.3
223.13312	11.3
227.12782	3.6
245.19012	2.5
253.14359	20.3
267.15912	2.6
269.17505	51.4
273.18573	14.4
291.19562	73.8
335.26059	1.5
347.21906	5.6
365.19867	1.2
365.23276	32.3
465.28799	6.3
474.71011	1.4
529.12787	1.2
541.35162	4.3
559.36334	100.0
560.36475	3.6
624.49438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01869	6.0
55.05510	20.2
57.03435	8.9
57.07082	1.0
60.33205	0.8
61.02912	1.5
64.02491	0.7
65.03934	1.5
67.05504	42.8
69.03430	7.0
69.07070	25.1
69.07388	0.5
69.07452	0.9
70.20510	2.6
71.04990	3.4
71.86843	0.8
73.02919	1.5
74.09698	0.8
79.05489	30.3
81.03420	4.9
81.07056	44.2
83.04989	5.1
83.08620	10.8
85.02900	3.5
85.06523	2.9
85.12369	0.9
91.04907	0.9
91.05481	17.9
93.07042	37.2
95.04968	7.8
95.08607	18.6
97.02892	5.7
97.06526	7.7
97.10160	9.4
99.04442	0.9
99.08067	1.2
105.07038	13.9
107.04935	5.7
107.08595	25.8
107.09295	1.8
109.06521	2.0
109.10159	9.3
111.04412	1.1
111.08092	4.3
115.05393	1.5
117.07008	9.5
119.04910	1.1
119.08569	11.3
120.05757	0.9
121.06522	4.0
121.10139	12.2
121.56169	0.7
123.08083	2.7
123.11717	2.4
125.09618	6.5
127.03905	1.3
129.07007	3.0
131.08557	10.5
133.06471	2.4
133.10127	9.8
134.07281	1.4
135.08040	3.4
135.11682	8.4
136.48390	0.8
137.09613	1.3
141.07030	1.0
143.08572	3.4
145.06436	1.1
145.10124	8.0
147.08031	4.6
147.11696	4.9
149.09593	2.9
149.13254	15.1
157.10176	2.4
159.08138	0.9
159.11670	8.3
161.09616	2.2
161.13307	0.9
163.11182	6.7
165.09146	2.0
165.12837	1.4
171.11688	2.1
175.11211	2.6
177.12709	4.7
181.12260	1.0
185.13326	1.0
187.14856	0.9
189.11272	2.9
193.12251	1.6
195.13834	7.0
205.12320	1.4
213.14862	1.4
223.13272	11.6
227.12776	12.1
241.19531	1.1
249.14854	2.8
259.20639	1.6
263.20114	1.4
267.15927	2.0
269.17477	57.1
273.18494	13.0
275.20175	1.9
277.21701	0.9
283.15402	6.2
291.19534	81.4
299.14825	1.3
333.24200	1.7
335.25919	0.8
347.22388	1.9
351.25378	3.1
365.23291	30.3
365.27960	1.5
439.26865	2.1
461.28949	2.7
477.28726	1.0
479.29962	2.2
541.35510	4.5
559.36310	100.0
560.36359	3.3
629.73138	1.0
775.98407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	2.3
55.01799	2.4
55.05433	13.8
55.05730	2.3
57.03356	7.9
57.03662	1.5
65.03875	1.5
65.97627	0.7
67.05415	17.9
67.05819	2.7
69.03334	3.3
69.06975	5.4
69.07371	1.6
70.86169	1.6
70.86514	1.1
71.04903	3.9
79.05399	21.7
79.05899	2.2
81.03320	45.9
81.03846	4.6
81.06960	18.6
81.07471	1.8
82.62211	0.8
83.04879	3.7
83.08522	13.9
83.09049	1.5
85.02819	1.6
85.06449	1.8
91.05379	15.7
93.06944	15.2
95.04862	20.3
95.08604	6.9
97.02789	1.9
97.06513	3.7
97.10062	14.8
99.08013	0.7
103.05401	0.9
105.07037	11.7
107.04962	13.6
107.08597	11.5
109.02779	0.9
109.06517	8.3
109.10168	4.8
111.04361	1.0
111.08079	3.9
113.05938	1.0
115.05376	1.0
117.07032	5.6
119.04848	2.0
119.08584	10.6
121.06519	8.9
121.10140	8.2
123.04370	1.6
123.08102	3.9
123.08784	1.2
123.11590	0.8
125.05974	0.9
125.09647	14.8
129.07018	7.9
131.04823	2.7
131.08588	10.1
133.06519	4.0
133.10121	4.6
135.08061	5.6
135.11568	2.3
137.05914	1.0
137.09508	2.0
139.11160	0.9
141.06833	1.3
142.07674	1.5
143.08437	2.2
145.06500	6.8
145.10081	4.2
147.04291	1.4
147.08063	4.7
147.11693	6.1
149.09592	4.8
151.07503	0.7
153.09113	3.7
153.12659	1.2
155.08424	2.1
157.06332	2.1
157.10130	7.8
159.07942	2.5
159.11610	1.9
161.05875	1.5
161.09586	1.6
163.11195	3.8
165.12640	1.4
167.08498	1.3
167.10577	1.3
169.10001	2.3
171.07918	1.8
171.10162	1.1
171.11578	2.5
173.09576	1.7
173.13176	1.4
175.07516	0.8
175.11166	6.7
177.12650	1.2
181.10036	1.4
183.11572	1.0
185.13174	1.6
187.11111	1.7
187.14799	1.5
189.11101	6.5
189.12688	1.9
191.14288	1.0
193.10426	0.8
193.12253	16.4
195.07884	1.0
195.11667	1.6
197.09521	1.0
197.13193	1.5
198.96338	0.7
199.11255	1.4
199.13072	1.4
201.12605	0.7
205.12184	1.7
207.06360	1.4
211.11119	1.1
211.13159	1.2
213.12685	1.6
215.14227	2.5
217.12123	1.5
219.13760	4.2
223.11209	0.9
223.13132	1.2
225.12581	1.0
227.12497	3.2
233.15361	3.9
235.13112	1.2
237.12651	1.7
249.14824	1.4
251.14095	0.9
255.13666	2.8
259.13135	1.1
267.15918	39.4
273.14734	7.1
273.17111	1.0
291.15808	0.8
293.17380	1.6
321.22092	0.8
333.21561	0.7
339.23087	2.2
349.21542	4.4
357.24200	2.1
367.22726	18.4
385.23770	22.9
403.24881	9.0
405.24384	1.5
423.25183	1.3
441.26456	8.7
459.27438	100.0
460.27686	1.7
477.28513	89.2
478.28854	1.5
491.30109	11.3
501.28397	2.1
509.31384	4.9
541.34131	1.5
555.29535	1.1
567.29407	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2394
Annotation	Kaempferol 4'-methyl ether 3-(4Rha-rhamnosylrutinoside)
Peak:m/z	Relative Intensity
53.03923	0.1
55.05490	0.1
57.03435	0.9
59.66126	0.0
61.02913	0.0
68.99794	0.1
69.03396	0.2
70.07036	0.2
71.04993	4.5
73.02909	0.1
75.04482	0.3
75.76793	0.0
81.03395	0.1
83.04981	0.4
85.02904	5.8
87.04438	0.2
97.02863	0.1
99.04469	0.1
111.04443	0.3
113.06027	0.1
127.03944	0.1
129.05472	1.6
137.05988	0.1
143.05630	0.2
147.06540	0.4
149.05943	0.2
151.03917	0.2
153.01842	0.4
153.05507	0.1
163.06107	0.1
171.02869	0.2
175.03928	0.2
177.05371	0.1
207.06308	0.1
229.04922	0.1
239.09229	0.1
242.05553	0.1
255.06523	0.1
257.04382	0.1
258.05234	8.0
259.05811	0.1
275.11273	0.1
286.04712	25.6
287.05228	0.3
301.07053	100.0
302.07382	0.9
313.07098	0.1
343.08124	0.2
367.08011	0.1
411.10550	0.1
445.11066	0.1
447.13165	0.1
463.12305	1.5
582.17487	0.1
609.18140	5.3
610.18042	0.1
755.23840	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	755.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00328	0.3
53.03942	0.7
55.01870	0.7
61.02925	1.4
63.02380	0.2
65.03942	1.8
67.05498	1.4
68.99792	1.8
69.03429	3.0
69.07059	0.5
70.06584	0.4
71.01359	1.1
71.04935	0.2
77.03933	1.0
78.04723	0.3
79.05494	1.1
81.03416	2.8
81.07051	0.9
85.02905	1.1
87.00829	1.0
89.03925	0.9
91.05482	27.8
92.05820	0.3
93.07048	0.8
95.04997	2.0
95.08595	0.7
95.84455	0.2
97.02914	1.2
99.04439	0.4
102.55744	0.2
103.05476	1.2
105.01837	0.3
105.03392	1.1
105.07040	1.1
107.04948	0.8
107.08562	0.5
109.02885	7.1
109.06511	0.3
109.09256	0.3
109.10162	0.7
111.04378	0.4
115.05467	1.0
117.03335	0.3
117.07018	0.4
118.04160	0.4
119.04946	42.9
119.08585	0.7
120.05286	0.3
121.02903	0.4
121.06572	0.3
121.10157	0.6
121.43230	0.2
123.04430	2.0
123.08037	0.2
125.05920	0.3
127.03924	1.7
128.06230	0.8
129.01852	2.2
129.03378	0.6
129.06992	1.2
131.04958	1.5
131.08534	0.7
132.02087	1.1
133.02866	0.6
133.06491	1.6
133.10123	0.3
135.04396	0.8
135.11685	0.2
136.05203	0.5
137.05983	0.6
141.06999	1.0
143.05717	0.6
143.08524	0.4
144.05705	0.6
145.02899	1.2
145.06494	1.0
145.10146	0.3
147.03030	1.2
147.04411	39.9
148.05026	0.4
149.02344	1.0
149.05988	0.4
149.09598	0.3
151.03944	1.6
153.05449	0.3
153.07008	0.4
154.06273	0.8
155.04861	0.4
155.08611	0.3
156.05687	0.4
157.03984	3.1
157.06528	1.6
159.08026	1.2
160.01442	0.3
160.05180	0.7
161.06003	3.4
162.03050	0.5
162.09001	0.3
163.03909	0.3
164.04700	1.2
167.07040	3.7
168.05815	0.4
169.06450	1.8
171.04361	0.4
171.08049	0.3
172.05272	0.3
173.06017	0.4
174.06776	0.6
175.03906	75.5
176.04390	0.6
177.05466	1.2
178.06274	0.6
179.03380	2.3
179.07022	3.5
181.04945	0.9
181.06471	0.7
183.04407	0.3
183.08031	0.4
184.05203	0.9
185.05995	2.1
187.07544	1.9
188.04695	0.7
189.05482	1.7
189.09077	0.4
191.07031	1.7
192.04166	0.5
193.08580	1.4
197.04390	0.4
197.06047	0.6
199.03906	0.4
199.07524	0.7
200.04677	0.5
201.05472	0.7
202.06172	0.7
203.07140	1.2
205.05049	0.3
207.06528	100.0
208.06825	0.8
211.07599	0.4
212.04715	1.2
213.03812	0.7
213.05513	1.7
215.03415	0.3
215.07030	1.6
216.04062	0.4
217.05054	0.4
217.08592	1.4
219.06532	4.0
220.07286	0.3
221.08072	2.3
227.07057	0.5
229.04958	0.4
230.05702	0.9
231.06519	3.2
232.07239	0.6
232.41843	0.2
233.07991	0.6
235.06026	0.4
235.09595	0.8
240.04271	0.2
241.05014	1.2
245.08096	5.8
247.05988	2.0
247.09720	1.1
249.07600	0.5
251.05302	0.3
255.06552	0.7
256.07272	1.1
257.04489	0.5
257.08044	0.4
258.05237	3.7
259.06116	1.1
259.09686	0.8
261.07578	1.8
263.09143	9.4
271.06296	0.3
271.09512	0.5
272.06750	0.6
273.07587	3.3
275.09183	0.3
283.06177	0.5
286.04733	7.3
287.05853	0.5
287.09116	3.2
289.10568	0.3
291.08627	45.5
292.19034	0.4
297.07547	0.7
300.06125	0.3
301.07065	24.4
303.08636	0.5
305.10144	0.4
315.08630	12.8
333.09695	7.8
351.10687	0.8
369.11591	0.5
401.08606	0.7
419.09708	1.4
437.10797	8.1
455.11859	13.2
455.18372	0.6
514.15826	0.3
754.42285	0.5
755.27051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.7
55.01852	4.3
55.05508	31.5
57.03426	9.4
62.00031	2.9
65.03941	6.0
67.05170	6.0
67.05505	79.2
68.47710	2.8
69.03417	6.1
69.07066	22.8
69.31821	35.8
71.04990	6.0
79.05491	100.0
81.03425	14.6
81.07054	75.5
83.04973	14.1
83.08623	12.2
85.06547	5.3
88.32036	3.0
90.68880	3.3
91.05477	93.6
93.07040	97.4
93.64574	3.4
95.04955	27.4
95.08611	46.3
97.06503	9.5
97.10156	7.1
105.07024	93.4
107.04952	9.7
107.08591	39.2
109.06522	7.7
109.10134	16.3
117.07005	25.2
119.08573	68.3
121.06512	6.0
121.10146	21.7
123.08066	5.5
123.11723	4.2
128.06262	4.0
129.06993	28.7
131.08559	25.0
133.10121	45.9
135.11699	17.6
143.08527	23.1
145.10133	29.4
147.08072	5.0
147.11681	60.4
149.13297	10.9
153.06824	2.9
155.08508	3.4
157.10231	8.2
159.11646	19.9
161.09595	8.8
161.13240	34.0
163.11102	4.3
163.14816	3.9
164.47458	3.6
169.10110	5.6
171.11684	29.8
173.13255	13.9
175.14816	12.1
181.10004	3.3
183.11684	4.1
185.13313	5.2
187.14842	6.6
189.12767	14.1
195.11708	4.4
199.14876	8.1
207.13780	23.2
213.16243	4.2
217.19594	3.9
231.20930	4.0
241.19505	25.8
259.20575	62.6
262.61633	3.2
277.21747	3.7
279.15823	22.4
281.17435	70.6
308.17532	3.9
315.23175	9.9
333.24188	48.9
367.18060	4.0
447.32523	7.9
465.33606	3.4
535.08856	4.1
539.29449	4.6
539.37421	76.2
557.38574	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01877	11.2
55.05509	13.3
57.03440	2.1
62.10863	1.4
65.03933	2.0
67.05177	1.9
67.05509	27.3
68.32210	1.2
69.03439	1.4
69.07070	16.3
71.60243	2.1
73.06577	1.4
79.05492	27.8
79.05914	2.4
81.03415	6.8
81.07058	33.0
83.04988	6.7
83.08579	3.0
85.06559	1.6
91.05487	35.5
93.07045	30.7
93.63935	1.1
95.01323	4.5
95.04953	12.0
95.08612	21.6
95.64218	1.4
97.02841	1.9
97.06539	20.8
97.10151	2.3
103.05456	1.8
105.07034	43.8
107.04945	10.0
107.08597	12.9
109.06501	2.6
109.10172	5.7
109.32510	1.2
117.07006	9.1
119.08584	23.0
121.06504	2.9
121.10141	4.3
123.08038	3.3
123.11687	1.3
125.09689	1.7
129.07016	5.1
131.08556	9.5
133.10138	21.2
135.08026	1.6
135.11670	3.3
139.07489	1.7
141.06944	1.6
143.08557	5.0
145.10104	7.2
147.11668	14.8
149.09615	6.2
149.13264	1.7
151.11162	1.4
155.08633	1.3
157.10097	1.5
159.11697	5.5
161.09647	1.8
161.13260	5.9
163.11072	2.7
169.10078	1.7
171.11638	7.6
173.13301	1.8
177.12785	1.5
179.14326	5.8
189.12706	2.5
207.13831	5.0
225.14948	1.4
247.20750	1.7
257.19092	2.6
259.20694	1.6
275.20071	40.6
279.16019	2.1
281.17523	26.7
293.21118	3.7
323.42712	1.5
335.26041	1.6
349.23743	18.9
459.31122	1.6
497.94882	1.5
555.36835	100.0
556.37122	2.9
620.75415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.05507	1.8
57.03434	2.2
57.07072	0.7
61.02931	5.6
65.03933	0.5
67.05507	4.3
69.03422	2.8
69.07066	1.0
70.09181	0.4
71.01338	0.5
71.04983	0.6
71.37782	0.4
72.17091	0.4
73.02925	3.7
79.05484	3.9
81.03415	3.3
81.07056	5.0
83.08624	1.4
85.02911	5.8
91.03455	0.4
91.03944	2.6
91.05481	3.2
93.07027	3.0
95.04967	1.4
95.08603	2.6
97.02895	4.4
99.04469	1.0
101.02395	1.4
105.07024	2.1
107.08607	1.9
109.02914	0.8
109.06503	0.6
109.10162	0.6
117.07025	0.4
119.08591	1.4
121.10159	1.3
127.03953	1.6
131.08563	0.6
133.10136	1.9
135.11687	1.0
147.11700	1.3
157.10194	0.7
174.69119	0.5
175.11226	0.9
185.04173	0.8
193.12299	0.8
211.13286	0.5
243.08427	2.2
251.12650	1.3
469.20395	7.2
519.29309	4.5
747.42871	100.0
748.42981	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	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05523	1.7
57.03437	2.5
57.07055	0.8
61.02934	4.8
67.05508	6.7
69.03432	3.5
69.07066	1.6
71.04993	1.8
71.60717	0.9
71.61128	0.8
73.02921	4.2
73.03276	0.6
79.05508	3.6
81.03419	2.9
81.07047	5.0
83.04952	0.8
83.08614	1.5
85.02908	6.1
91.03950	3.6
91.05473	3.2
93.07052	5.1
95.04976	1.7
95.08604	5.2
97.02892	6.1
98.19584	0.7
99.04448	1.0
99.32017	0.6
101.02393	1.3
103.03978	0.7
105.07027	1.3
107.08609	2.4
109.10158	3.6
117.07042	1.0
119.08601	1.5
121.10149	1.8
127.03956	1.8
135.11717	1.4
219.60962	0.6
243.08493	2.0
262.38208	0.7
267.15897	0.8
313.27475	1.9
324.18066	0.7
352.54834	0.8
415.79892	0.7
439.19437	0.9
456.17245	0.7
456.98163	0.7
471.21957	3.7
517.26038	0.7
519.29303	9.2
700.31012	0.7
749.44482	100.0
750.45001	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	747.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34353	1.1
71.10361	1.2
81.07056	1.5
95.08567	1.5
98.21525	3.1
103.96169	1.1
107.80630	1.3
109.10150	1.6
117.37372	1.2
229.89511	1.6
323.97986	1.4
469.20023	1.7
686.28845	1.5
747.41376	100.0
748.41138	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	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01905	0.3
55.05519	1.7
57.03433	2.1
57.07061	0.4
61.02931	6.2
67.05506	4.9
69.03426	4.1
69.07069	1.3
71.01357	0.6
71.05006	0.9
71.60480	0.5
73.02923	4.4
77.82342	0.3
78.41917	0.3
79.05499	4.4
81.03419	2.9
81.07057	5.5
81.07466	0.5
83.08634	0.9
85.02912	6.0
87.04484	0.5
91.03967	3.6
91.05476	3.1
93.07049	3.7
95.04988	1.0
95.08605	3.8
97.02889	5.7
97.06567	0.4
97.10146	0.3
99.04472	1.3
101.02391	1.4
103.03938	0.4
105.07059	1.2
107.04889	0.4
107.08594	2.5
109.02906	0.9
109.06557	0.3
109.10149	1.7
115.03979	0.4
117.07025	0.5
119.08599	1.5
121.10153	1.9
127.03928	1.8
129.07092	0.4
131.08603	1.1
133.10149	1.2
135.11708	0.8
145.05045	0.3
145.10147	0.6
147.11725	0.7
149.13235	0.6
175.11250	0.5
185.04282	0.5
193.12256	0.5
243.08421	2.2
251.12749	0.7
269.12302	0.7
335.26044	0.9
453.30649	0.3
469.20346	3.2
497.30795	0.4
519.29297	7.0
632.27783	0.3
747.42926	100.0
748.43085	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	745.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01856	0.5
55.05515	1.3
57.03442	1.4
61.02924	3.9
65.15680	0.2
67.05502	4.6
69.03427	2.5
69.07072	1.3
69.61780	0.5
69.62190	1.4
71.01347	0.3
71.04987	0.6
73.02916	3.0
79.05489	4.0
81.03418	1.5
81.07057	4.6
83.04985	0.5
83.08626	0.8
85.02911	3.6
91.03944	2.0
91.05464	2.1
93.07043	4.6
95.05003	0.6
95.08614	4.6
97.02888	3.8
97.06561	0.4
99.04474	1.0
101.02389	1.4
105.07031	1.6
107.04971	0.5
107.08595	2.6
109.02896	0.6
109.06544	0.2
109.10149	1.4
117.07014	1.0
119.08602	1.3
121.06509	0.4
121.10142	1.6
123.08076	0.2
127.03923	1.0
131.08618	0.6
133.10158	0.7
135.09114	0.3
135.11682	2.9
145.10130	1.8
159.11629	0.4
163.11182	4.2
181.12283	0.6
185.04263	0.5
203.05353	0.3
203.63182	0.2
219.09962	0.9
227.12766	2.7
243.08380	3.0
249.10973	8.6
267.10788	0.3
283.15317	0.3
305.13699	2.0
316.38626	0.3
335.25864	0.5
401.02728	0.2
467.18906	11.5
468.19421	0.3
519.29340	5.6
548.39191	0.4
583.36066	0.5
685.00671	0.3
745.41284	100.0
746.41711	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	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01882	0.4
55.05515	1.6
57.03444	2.6
60.04296	0.2
61.02928	6.4
65.03954	0.3
67.05505	6.1
69.03429	3.0
69.07074	1.4
69.34406	2.5
71.01363	0.4
71.04995	0.8
73.02917	4.7
75.04491	0.3
79.05494	4.5
81.01331	0.3
81.03429	1.4
81.07061	5.6
83.01374	0.3
83.08624	0.9
85.02905	5.9
87.04467	0.6
91.03961	3.5
91.05492	2.7
93.07043	5.1
95.04997	0.6
95.08601	4.8
97.02895	5.5
97.06555	0.3
97.10159	0.4
98.20753	0.4
99.04472	1.2
101.02373	2.0
105.04565	0.3
105.07025	1.7
107.04961	0.3
107.08593	2.6
109.02891	0.9
109.06468	0.4
109.10180	1.3
111.08121	0.4
117.07056	0.8
119.08596	1.1
121.10143	2.1
123.11748	0.6
127.03958	1.5
131.08594	0.9
133.10155	0.6
135.11684	2.5
137.13211	0.2
145.04932	0.4
145.10133	1.6
147.11737	0.5
149.13261	0.5
159.11771	0.4
161.13347	0.3
163.11194	2.3
181.12265	0.3
185.04289	0.5
227.12817	1.4
243.08347	2.5
249.10995	13.2
250.11382	0.5
289.11282	0.3
297.11539	0.2
305.13589	1.4
335.25974	1.0
407.81192	0.3
467.18918	5.5
468.19183	0.5
504.37344	0.4
519.29327	9.1
520.29871	0.4
542.04639	0.3
745.41296	100.0
746.41522	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	745.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81831	0.3
53.03935	0.7
55.01885	0.6
55.05513	1.4
56.96571	0.4
57.03439	1.9
59.05009	1.1
61.02929	5.0
62.37761	0.3
67.05505	4.3
69.03439	3.1
69.07076	1.6
69.20470	0.3
70.51460	0.3
71.01330	0.4
71.04639	0.6
71.04995	5.0
73.02924	3.6
79.05476	2.8
81.03417	4.1
81.03856	0.4
81.07059	5.7
83.04996	1.0
83.08631	1.2
85.02913	4.6
85.06573	0.8
87.04472	0.4
91.03959	2.5
91.05486	4.6
93.07055	2.9
95.04978	1.4
95.08626	1.7
95.19910	0.3
97.02904	4.7
97.06551	1.2
99.04475	0.8
101.02367	1.7
103.03940	0.4
105.07028	2.3
105.49620	0.4
107.08585	2.6
109.02898	1.0
109.06535	0.4
109.10168	1.0
109.48430	0.3
111.08074	0.4
117.06998	0.4
119.04919	0.5
119.08608	1.5
121.10172	1.5
123.11749	1.3
127.03933	1.7
129.07050	0.6
131.08589	1.5
133.06514	0.5
133.10135	2.8
135.08084	0.4
136.00456	0.4
136.06183	0.3
145.02945	0.4
145.04984	0.4
147.04440	0.4
147.08115	0.4
147.11746	1.1
149.09612	1.9
149.13306	0.7
151.11226	1.1
157.10152	0.9
159.11748	1.0
165.12915	0.5
175.11240	0.9
177.05559	0.9
183.11940	0.4
184.37953	0.3
187.13419	0.5
191.74948	0.4
193.12236	0.8
203.05415	0.4
207.06429	0.4
211.13394	0.5
225.15077	0.4
243.08467	2.8
243.10780	0.5
243.16008	0.4
257.17462	0.4
267.15765	2.0
269.17590	0.5
283.15131	3.1
287.05569	0.7
299.81833	0.4
339.18027	0.8
441.21219	0.9
453.21017	0.4
459.10757	0.4
459.22403	0.4
465.21109	0.3
469.20633	0.4
485.23590	9.6
501.23068	10.8
583.34485	0.4
641.31409	0.5
745.39844	100.0
746.40747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01851	0.4
55.05498	0.5
56.96546	0.2
57.03412	0.4
57.07059	0.3
59.04966	0.2
60.05634	0.2
61.02920	0.3
65.03920	0.3
67.05173	0.1
67.05502	1.5
68.99766	0.4
69.03422	2.1
69.07055	0.9
70.06561	0.2
71.04972	0.5
73.02895	0.4
79.05464	0.5
81.03416	2.2
81.06648	0.2
81.07059	2.0
83.04976	0.8
83.05394	0.1
83.08604	0.3
84.08101	0.2
85.02901	2.0
85.06546	0.2
87.00812	0.5
87.06713	4.2
91.05480	1.7
92.05781	0.2
93.07025	1.1
94.04134	0.2
95.04941	0.4
95.08601	2.0
97.02895	1.8
97.06512	0.2
97.10159	0.2
98.09681	0.2
99.04430	0.7
99.08077	0.4
100.11223	0.3
101.03495	0.2
103.03915	0.2
103.05449	0.2
105.07021	1.2
107.04939	0.3
107.08597	1.9
109.02870	3.4
109.06515	0.6
109.10149	7.5
111.04425	0.4
111.08061	0.3
112.04111	0.1
113.04612	0.3
117.03360	0.2
117.07040	0.2
119.04924	0.5
119.08573	3.6
121.02856	0.3
121.06528	0.2
121.10165	1.1
122.03635	0.2
123.04401	0.4
123.08076	1.0
123.11659	0.7
125.02309	0.2
125.04562	0.2
125.09613	0.2
126.02986	0.3
127.03913	3.6
129.01842	0.3
131.04942	0.3
133.02895	0.2
133.06470	0.2
133.10114	1.7
135.04477	0.1
135.11688	7.5
136.07550	0.1
137.02380	0.1
137.05962	2.9
137.09572	1.0
139.03873	0.1
139.11169	0.2
141.04077	1.0
141.05058	0.2
142.04813	0.3
143.05637	100.0
144.06113	0.6
145.02803	0.7
145.04936	0.7
145.06422	0.2
147.04420	0.6
147.11673	0.9
149.06003	0.2
149.13239	0.6
151.03888	1.0
151.07481	0.2
151.11169	0.6
151.14755	0.6
161.05986	0.4
163.04012	0.2
163.07564	0.1
164.77942	0.1
165.05460	0.1
165.12746	0.5
167.05699	0.2
167.07027	2.5
168.07335	0.1
169.71652	0.1
173.06094	0.2
175.03934	0.4
175.07495	0.2
175.13287	0.2
175.14809	4.0
177.05478	1.1
178.05899	0.2
179.07066	0.2
181.04936	0.5
185.06732	0.6
191.07072	0.1
193.04892	0.2
193.08563	0.1
193.15872	6.8
195.02882	0.1
205.08649	0.2
207.06488	0.8
211.16917	9.7
213.03975	0.5
231.05013	0.5
233.06561	0.2
247.19267	0.1
251.07886	0.2
267.15948	0.5
271.05963	0.2
285.16934	0.2
287.05493	0.9
305.10870	3.5
307.09827	0.1
321.06091	0.3
339.07104	0.6
350.22894	0.2
351.74579	0.2
355.11902	0.3
357.08185	0.5
357.13052	0.1
359.19992	1.2
359.73593	0.5
360.23694	0.2
373.09805	3.4
375.09064	0.2
379.08319	0.2
385.13153	0.2
387.14417	1.1
433.11984	0.2
436.11411	0.2
499.13116	0.8
517.14410	0.6
531.21973	0.2
535.15088	2.7
535.22650	0.2
745.31299	7.9
746.30359	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	745.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.30684	0.1
55.05508	0.4
57.03432	0.1
60.05640	0.2
67.05518	0.8
68.99776	0.2
69.03435	1.6
69.07054	0.5
69.64875	0.7
69.65282	0.3
71.04964	0.3
73.02887	0.2
73.04016	0.2
79.05486	0.3
81.03415	1.8
81.07040	0.9
83.04964	0.5
83.08607	0.2
85.02908	1.5
86.09696	0.2
87.00815	0.2
87.06240	0.3
87.06719	4.2
91.05466	0.5
93.07028	0.4
95.04994	0.2
95.08613	1.5
97.02888	1.1
99.04453	0.3
101.03551	0.2
105.07041	0.4
107.04881	0.2
107.08598	0.8
109.02897	1.8
109.06517	0.5
109.10161	4.5
111.04385	0.2
113.04588	0.2
119.04978	0.3
119.08582	2.1
121.10152	0.8
122.03651	0.4
123.04399	0.2
123.08073	0.6
123.11742	0.4
125.04598	0.2
126.03004	0.4
127.03916	2.3
129.01849	0.3
133.10126	0.8
135.11687	3.9
137.05984	5.8
137.09576	0.9
138.10457	0.2
141.01854	0.2
141.04045	1.3
142.04834	0.3
143.05644	100.0
144.05995	0.5
145.02840	0.4
145.04953	0.5
145.06410	0.2
147.04482	0.2
149.13281	0.3
151.03877	0.6
151.11214	0.4
151.14818	0.5
157.27042	0.1
165.16461	0.2
167.05760	0.3
167.07060	1.2
173.05975	0.2
175.03912	0.2
175.07518	0.2
175.14836	2.1
177.05449	0.5
181.04984	0.7
185.06699	0.7
189.35498	0.2
193.15877	3.5
207.06548	0.5
209.06665	0.2
211.16934	9.3
213.04018	0.5
231.04996	0.3
243.17212	0.2
305.10916	3.2
321.05945	0.3
339.07138	0.3
357.08246	0.2
357.13409	0.2
373.09863	3.2
375.09015	0.2
387.14392	4.0
387.19229	0.3
423.52576	0.2
433.12314	0.3
481.12213	0.2
499.13242	1.5
517.14111	1.2
535.15228	4.1
553.16016	0.2
567.24097	0.2
590.41199	0.2
609.87006	0.2
745.31433	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	745.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
54.79735	0.1
55.01866	0.2
55.05506	0.8
56.96536	0.3
57.03430	0.4
61.02913	0.4
65.03937	0.1
67.01855	0.3
67.05505	2.0
67.54019	0.1
68.99789	0.5
69.03428	0.9
69.07072	1.0
70.06551	0.2
71.04984	0.7
71.61004	0.1
71.61410	0.2
73.02923	0.2
73.60518	0.1
79.05501	1.5
81.03424	1.6
81.06580	0.3
81.07056	5.4
83.05001	0.7
83.08599	0.5
85.02901	1.0
85.06535	0.5
89.03912	0.2
91.03965	0.3
91.05477	2.4
93.07047	1.5
95.04963	0.5
95.08600	1.2
97.02893	2.3
97.06503	0.4
98.97545	0.2
99.04445	0.3
105.07038	2.7
107.04955	0.4
107.08585	1.1
109.02872	1.8
109.06510	0.7
109.10137	0.5
111.04433	0.2
111.08092	0.2
116.98601	0.3
117.03332	0.2
117.07034	0.2
119.04958	0.3
119.08575	2.1
121.10142	2.0
123.04379	0.2
123.08070	0.3
123.11712	2.0
127.03920	6.9
128.98613	0.2
129.01820	0.5
129.07001	0.3
131.04875	0.1
131.08565	0.3
133.10124	0.5
135.04434	1.3
135.07979	0.2
135.11688	0.1
136.06181	0.3
137.02348	0.4
137.05948	0.4
137.13239	0.1
143.05638	0.5
145.02850	0.3
145.04951	0.5
145.06512	0.2
145.10092	0.2
147.04388	0.3
147.10492	0.2
147.11685	4.8
149.01227	0.6
149.09648	0.2
151.07648	0.1
153.00713	0.3
153.01833	2.9
157.10170	0.2
158.99591	0.2
159.11684	0.2
161.01155	0.2
161.02345	0.4
161.09695	0.2
163.03911	0.2
165.09193	0.2
165.10612	0.2
165.12762	3.1
167.02258	0.2
167.07011	0.4
171.02858	0.8
175.03941	0.3
177.00768	0.2
177.05495	0.4
179.03410	0.3
183.13811	1.0
189.09006	0.1
193.08731	0.2
193.12245	0.6
195.02881	0.7
197.56071	0.1
207.06502	0.4
211.13329	0.3
213.03958	2.0
219.01840	0.2
229.14343	2.9
231.04999	0.3
241.04930	0.4
245.10767	0.1
269.04434	0.4
273.14999	0.5
279.03928	0.2
287.05496	100.0
288.05817	2.0
291.15836	0.3
293.05414	0.4
301.14334	0.2
311.06381	0.2
319.15396	1.0
321.04868	0.2
337.16412	0.6
355.17615	0.2
365.16467	0.2
405.15625	0.5
408.60214	0.2
413.18036	0.2
423.16672	0.7
441.17703	0.4
454.27505	0.2
455.10745	0.3
459.18637	0.5
641.31268	0.8
647.22443	0.2
713.30383	0.2
745.29218	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	744.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01857	1.5
55.05511	12.9
57.03433	8.0
57.07079	1.5
59.04998	2.2
61.02918	3.8
62.25663	0.9
63.76764	0.9
65.03944	2.4
67.05502	90.5
68.05821	1.2
69.03429	2.3
69.07065	12.9
71.04990	18.8
71.60614	1.6
79.05489	29.2
80.05796	1.0
81.03416	1.9
81.07053	43.6
82.07419	1.3
83.04984	3.7
83.08617	8.3
85.02905	3.4
85.06532	3.5
91.05478	23.2
93.07040	44.8
95.04956	4.6
95.08607	29.4
96.08906	1.2
97.02856	1.6
97.06517	3.6
97.10150	2.2
99.08073	1.8
105.07014	11.5
107.04987	1.0
107.07874	1.1
107.08585	19.4
109.06487	2.4
109.10152	59.7
110.10466	1.6
110.44669	0.9
111.08087	4.0
117.07003	4.8
119.08567	17.4
121.10132	15.9
123.08101	1.4
123.11698	2.3
129.07077	1.1
131.08594	6.3
133.10110	5.7
135.11697	13.4
137.09618	9.8
145.10130	7.0
147.11674	3.9
149.13289	4.2
155.10634	1.7
157.10126	1.5
159.11674	3.3
161.13261	3.3
163.11139	4.0
169.12257	1.9
173.11734	7.4
173.13161	2.0
175.14853	1.6
181.12193	1.9
187.13353	1.9
187.14816	1.2
229.14299	1.1
243.21135	1.2
255.15950	6.4
261.22049	2.7
280.36066	0.9
285.16898	1.3
287.18475	16.5
317.24631	1.2
335.25793	30.8
336.26044	2.4
397.30762	1.2
471.34875	1.8
489.35733	100.0
490.35883	7.0
503.36957	2.7
515.37292	10.9
543.22925	1.1
547.39935	72.4
548.40253	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	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01872	1.4
55.05511	17.0
57.03437	13.2
57.07068	2.2
61.02915	3.2
65.03917	2.8
67.05505	75.6
68.05793	1.6
69.03410	2.3
69.07071	17.9
71.04994	7.0
71.60677	2.4
73.02923	2.4
79.05492	36.0
81.03419	5.0
81.07056	100.0
82.07371	2.2
83.04984	6.4
83.08626	11.3
85.02898	2.8
85.06549	9.7
91.04960	2.4
91.05475	27.2
91.22279	1.2
93.07039	50.9
93.07631	2.8
95.04946	7.9
95.08604	35.4
96.08932	1.7
97.02848	1.7
97.06516	7.8
97.10178	4.0
99.08100	2.7
105.07030	12.7
107.08592	25.4
109.06502	3.0
109.10152	15.9
111.08076	5.1
115.05477	1.2
117.07019	9.7
119.08598	6.5
121.06482	2.0
121.10147	19.9
123.08074	1.8
123.11706	10.3
131.08598	9.5
133.10127	17.1
135.08151	1.4
135.11690	11.9
145.10126	5.1
145.16914	1.5
147.11667	6.3
149.13258	18.8
151.11148	4.6
159.11699	12.4
161.13220	2.8
163.14803	2.3
169.12277	2.1
172.38707	1.3
173.13283	2.6
177.12790	5.9
187.13374	6.3
187.14821	2.1
195.13867	6.5
213.14841	3.7
241.14287	2.2
243.15936	29.6
243.21127	3.0
261.22125	6.5
268.03348	1.5
269.17517	21.8
285.16931	2.2
287.18509	38.1
287.23474	2.2
317.25009	2.1
331.21927	1.6
335.25775	50.4
336.26059	2.7
337.26428	1.6
361.27472	2.1
409.29108	1.8
489.35544	2.3
503.37296	94.4
504.37390	6.6
529.31842	1.4
529.39008	10.5
547.39850	40.2
548.40259	2.3
745.41138	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	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
53.73221	2.3
55.01870	13.9
55.05513	34.7
56.05037	8.0
57.03449	18.9
57.07078	3.6
61.02922	4.8
67.05507	91.7
69.03426	6.2
69.07072	39.4
70.74895	8.4
71.01363	7.7
71.04995	8.2
73.02905	7.4
79.05495	78.9
81.03417	17.3
81.07056	75.2
83.04994	19.4
83.08599	18.0
85.02906	13.4
85.06550	7.5
91.03974	4.0
91.05481	53.1
93.07046	91.5
95.04972	16.6
95.08613	31.7
97.02908	11.9
97.06531	26.7
97.10172	20.5
99.04457	4.0
99.08114	5.3
105.07027	32.9
107.04958	7.6
107.08603	54.8
109.06558	5.8
109.10146	14.8
111.08090	4.1
117.07030	18.4
119.08600	30.1
121.06493	5.1
121.10155	19.9
123.08111	3.9
125.09665	10.0
127.03915	6.0
128.06201	3.0
129.06976	4.5
131.08553	17.8
133.10162	24.1
135.08063	9.0
135.11690	60.4
137.09612	5.5
143.08578	5.9
145.10132	24.6
147.11723	11.1
149.01288	3.3
149.02359	4.9
149.09586	14.6
149.13269	10.7
153.09085	3.7
155.08656	3.3
155.79150	2.8
157.10104	5.0
159.11728	11.2
161.09618	3.0
161.13176	4.9
163.11171	13.7
168.13898	16.9
169.10179	3.6
173.13321	8.4
177.12849	3.7
179.14148	3.9
181.12242	14.8
183.11821	3.2
189.11215	8.6
193.05177	3.2
199.13344	3.7
200.45419	3.2
227.12801	17.9
229.19603	4.0
239.18010	3.7
242.17455	3.8
247.20816	3.5
255.15930	100.0
255.18538	5.0
257.18970	13.5
263.96118	2.7
266.22815	2.7
267.16077	4.6
269.17548	13.6
275.20081	43.2
285.09781	3.7
331.22836	3.3
349.23807	24.6
425.25137	8.7
435.27328	20.9
449.29019	91.4
520.40106	20.1
529.35229	58.2
547.36151	9.2
564.09601	3.2
564.42133	9.6
577.38568	3.6
593.33453	3.1
629.46899	3.0
682.44794	5.4
726.47644	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	743.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36036	0.5
53.03932	0.8
55.01873	0.5
55.05499	1.4
57.03437	1.5
61.02923	5.1
64.23381	0.5
67.05503	4.3
69.03413	2.7
69.07066	1.2
71.01340	0.5
71.04980	0.6
73.02911	3.7
79.05488	4.4
81.03417	1.2
81.07063	4.0
83.04996	0.7
85.02911	5.2
86.93889	0.5
87.04467	0.6
91.03957	3.4
91.05502	2.5
93.07043	4.4
95.04982	0.8
95.08593	3.9
97.02890	4.8
98.20741	1.4
99.04480	0.6
101.02370	2.1
105.07014	1.5
107.04881	0.6
107.08600	2.2
109.02935	0.7
109.10187	1.3
119.08605	1.6
121.10115	1.4
127.03955	1.4
129.06976	0.6
131.08580	1.4
133.10088	1.0
135.11688	0.7
145.10127	0.7
147.11710	1.1
222.31396	0.5
229.24147	0.6
243.08325	2.8
247.13104	1.4
335.25861	0.7
465.20868	4.8
519.29382	8.6
690.91571	0.6
725.62292	0.7
743.43384	100.0
744.43665	3.1
759.07233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05499	0.8
57.03430	4.7
61.02907	0.8
63.91612	0.7
64.09731	0.7
67.05515	0.9
69.03421	2.2
70.06584	2.3
70.29016	3.0
71.04991	24.7
73.02920	1.1
79.05482	1.1
81.03403	2.5
81.07017	1.1
83.04985	1.5
84.08159	0.9
85.02899	27.7
87.04469	0.8
87.06701	3.3
91.05457	2.7
93.07058	1.0
95.04967	9.1
97.02881	1.5
98.21613	0.6
99.04464	0.9
103.05464	1.1
105.04598	0.7
105.07031	1.5
107.04937	1.0
107.08585	1.2
109.02890	1.9
111.04473	0.7
119.04932	3.3
119.08548	1.3
121.02849	6.9
121.06498	1.1
123.04426	47.1
124.28708	0.7
127.03904	2.4
129.05489	4.3
129.06989	0.8
131.04958	0.7
131.08521	1.9
134.56938	0.7
137.05983	2.0
143.05640	100.0
145.02850	3.2
147.04417	2.3
148.97971	0.8
149.05901	0.8
149.09622	1.2
163.03896	2.6
165.01788	4.4
165.05482	7.0
167.03394	2.6
167.07025	2.8
169.80269	0.7
173.02283	0.8
175.03969	1.6
177.05415	3.5
179.07109	1.1
183.02866	2.7
195.02904	1.5
206.04456	1.2
207.06551	2.0
215.03413	1.0
229.01324	0.9
235.02405	1.0
236.04599	1.0
249.11218	1.6
258.05176	1.1
261.04010	0.9
267.06506	7.3
270.05228	2.4
271.06036	5.8
281.05008	1.1
281.08057	6.1
283.06000	74.4
284.06674	7.4
286.04724	2.4
287.05289	6.1
288.05585	3.1
289.06216	1.3
295.06024	24.3
295.09451	1.0
296.06305	1.2
297.04449	1.0
297.07623	3.1
301.07095	8.6
302.07440	6.6
303.07635	6.2
305.07837	1.5
305.10916	2.5
307.05948	2.3
308.06711	1.9
309.03958	3.2
309.07501	18.4
311.05432	1.1
313.07043	84.5
314.07364	1.6
321.07520	1.3
323.09045	11.9
325.07016	1.3
327.04926	1.4
333.07529	3.0
335.05435	3.3
337.07022	25.8
338.07504	0.9
339.04956	1.9
339.08868	1.8
349.07059	9.2
349.10907	1.2
351.08600	2.5
361.07062	9.7
365.06372	1.7
367.08127	10.0
373.09882	1.9
379.08099	17.2
387.08612	5.2
397.09204	13.3
399.08414	1.1
400.09528	1.3
413.10117	3.8
415.10236	60.2
416.10632	1.6
417.09760	2.3
427.11804	1.2
429.09683	2.1
433.11334	11.8
435.10928	1.7
441.09702	2.1
447.10660	5.1
453.09836	1.3
454.19455	0.7
459.10776	11.8
477.11804	24.9
483.10721	2.3
501.05222	0.7
501.11761	16.0
502.11853	1.2
513.11932	1.2
531.12805	8.7
543.13007	2.7
561.13910	11.5
579.14960	33.4
580.15198	1.5
597.16003	15.6
598.15906	1.0
725.25586	1.7
743.26404	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	743.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01849	1.1
55.05507	1.6
56.78633	0.6
57.03443	4.9
62.82067	0.6
69.03406	1.9
69.39410	5.5
70.06602	1.6
71.04999	28.6
73.02899	1.2
75.04459	1.2
78.86825	0.6
81.03403	2.1
83.04945	2.1
85.02912	31.4
85.13956	0.6
86.09711	0.6
87.98626	0.6
91.05479	1.6
95.04382	0.6
95.04980	11.4
96.02792	0.7
97.02845	0.8
97.06493	0.8
100.11229	1.7
105.07059	0.7
107.04942	0.6
109.02876	2.1
111.04409	0.8
117.11587	0.6
119.04967	3.0
121.02085	1.0
121.02869	8.1
121.06510	0.9
123.04436	58.5
124.87395	0.6
127.03930	1.6
128.07167	0.6
129.05484	3.8
137.05940	2.2
141.01840	0.6
142.43840	0.6
143.04582	1.0
143.05658	16.3
145.02811	2.6
147.04402	2.6
149.02295	0.6
150.33282	0.7
151.03897	0.9
153.01788	0.7
163.03906	2.9
165.01840	4.3
165.05510	6.6
167.03404	1.9
167.07039	2.7
177.01817	1.1
177.05513	2.7
178.96494	0.6
181.01419	0.8
181.04927	1.3
183.02933	4.4
187.03857	1.1
191.03284	1.3
195.02902	2.1
205.05083	0.7
207.06526	2.0
209.00969	0.7
210.14955	0.7
211.02492	0.8
229.01321	1.0
229.04987	1.9
235.02261	0.7
239.07120	0.7
242.05838	0.6
255.06578	1.0
261.03870	0.9
267.06488	9.2
269.04526	0.8
270.05197	3.2
271.06033	14.0
272.06335	1.4
273.06866	0.8
279.06439	0.8
281.08124	5.4
283.06027	85.0
284.06735	8.8
285.07684	0.9
287.05566	3.3
287.10199	1.0
289.06003	1.0
293.08212	0.8
295.06049	27.8
295.09573	2.0
296.06363	0.8
297.03970	1.0
297.07581	2.1
299.05222	0.6
303.05060	3.8
305.08197	1.9
307.06033	1.9
308.06906	1.7
309.03949	5.9
309.07590	19.8
311.05457	1.8
313.07074	100.0
314.07370	1.8
319.06131	0.8
321.07623	2.1
323.05560	1.5
323.09109	14.0
325.07068	2.6
327.04938	1.5
333.07462	3.8
335.05505	4.7
335.08875	0.9
337.07068	31.0
338.07156	0.7
339.04950	2.2
339.08646	1.6
347.05511	0.8
349.07095	11.2
351.08481	3.5
353.06702	1.2
361.07065	10.7
363.04852	1.6
363.08752	0.9
365.06702	1.4
367.08130	13.4
375.08994	1.5
379.08130	24.3
387.08792	3.8
397.09229	14.2
399.08716	2.0
400.09360	1.5
405.05563	0.8
413.10193	2.8
415.10266	63.7
416.10843	1.2
417.09839	3.4
427.11514	0.9
429.09668	2.0
433.11343	12.1
435.10675	2.5
441.09875	1.5
447.10757	5.5
455.11292	0.7
459.10800	14.8
465.09723	1.0
477.11835	26.3
483.10828	2.6
501.11911	18.5
513.11829	1.4
525.11768	2.5
531.12915	9.6
543.12878	3.3
561.13977	13.7
579.15021	34.0
580.15204	1.1
597.16193	12.1
742.55121	2.0
743.26630	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28658	5.4
53.03946	6.8
55.05508	29.0
57.00923	5.3
57.03426	15.2
57.07077	7.1
61.02916	5.9
65.03939	4.9
65.40546	4.8
67.05501	88.3
69.03448	8.0
69.07057	27.6
71.04953	7.8
71.60479	5.1
71.60906	8.5
79.05495	64.3
81.03428	43.2
81.07059	100.0
83.04970	7.6
83.08616	29.3
91.05487	63.9
93.07039	87.6
95.04964	20.8
95.08618	44.6
97.02917	5.9
97.06516	15.0
105.07017	57.4
107.08587	49.1
109.10153	17.2
115.05441	8.1
117.07014	24.7
119.07858	7.7
119.08588	50.7
121.10168	33.7
123.11729	6.5
129.07005	14.9
129.68495	5.3
131.08557	32.1
133.10110	32.1
135.11659	22.7
143.08580	7.2
145.10107	23.1
147.11691	31.9
149.13272	34.4
150.59993	6.2
157.10103	10.1
159.11688	24.8
161.13263	24.9
171.11671	8.6
173.13268	9.1
175.11111	5.8
175.14731	8.1
177.12871	6.1
178.92604	5.7
185.13200	8.6
193.12263	7.7
195.13797	12.7
232.12646	5.7
241.19493	21.7
259.20602	63.0
261.22263	9.3
263.84326	5.4
267.15958	55.1
269.17499	69.4
285.16751	6.0
293.17548	6.1
315.23178	6.4
333.24374	41.4
335.25934	39.6
435.32645	8.3
453.33600	10.8
471.34558	6.0
492.21408	5.3
498.18491	16.2
527.30151	6.0
527.37457	71.5
545.38354	32.1
585.22083	6.0
586.23334	8.1
645.24622	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	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01873	3.4
55.05510	23.8
57.03436	20.3
57.07066	1.8
59.04979	1.0
61.02933	4.8
63.53698	0.6
65.03940	2.5
67.05503	58.5
69.03427	4.9
69.07066	17.0
69.07429	0.5
69.69823	4.0
71.04994	5.9
72.44540	0.7
73.02911	1.9
79.05003	0.9
79.05492	46.2
81.03416	57.5
81.07054	58.7
83.04978	15.8
83.05457	1.3
83.08131	1.6
83.08615	24.7
85.02905	24.4
85.03419	1.2
85.06535	3.8
91.03947	1.2
91.05478	46.0
93.07040	45.8
95.04965	26.1
95.08605	39.1
95.09219	1.0
97.02882	4.7
97.06516	4.6
97.10190	3.8
99.08046	1.4
105.07030	30.4
107.04957	6.7
107.08594	23.8
109.06534	6.2
109.10157	16.2
111.04450	2.0
111.08075	9.4
113.06020	2.6
115.05456	1.6
117.07035	5.1
119.04906	0.9
119.08576	24.0
121.06519	2.0
121.10141	17.3
123.08073	3.5
123.11704	4.7
124.21866	0.7
125.09645	2.6
127.07561	0.7
129.06996	12.1
131.08566	18.6
133.06454	1.9
133.10130	17.2
135.08057	1.0
135.11691	9.3
136.57492	0.7
137.09641	2.3
137.13260	1.3
142.07806	3.2
143.08583	1.5
144.86838	0.8
145.10110	6.1
147.08015	3.3
147.11690	17.4
149.09615	6.0
149.13272	4.0
155.08568	0.9
157.10133	12.6
159.11655	3.5
161.13310	3.0
163.11154	1.3
163.14850	2.0
165.12796	2.7
169.10194	0.9
171.11708	0.8
173.13251	3.0
175.11174	13.0
175.14781	0.9
185.13297	1.1
187.14833	1.6
193.10881	0.5
193.12236	42.1
211.13284	71.0
212.13644	1.3
227.12772	1.2
227.20096	2.0
229.14244	1.1
243.21135	4.0
249.14801	1.1
259.20694	0.7
261.22116	10.3
267.15897	16.9
285.16959	83.0
301.25278	1.2
317.24802	2.5
335.25784	82.9
336.26080	1.1
359.25967	0.7
387.48758	0.7
435.32596	1.7
453.33752	2.2
471.34787	1.6
522.16846	0.7
527.37250	12.1
530.42224	0.7
545.38367	100.0
546.38727	2.0
553.29639	0.7
563.39520	1.1
689.42010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
55.01863	1.9
55.05267	1.9
55.05513	18.3
57.03443	14.0
57.07060	1.4
61.02925	5.9
65.03947	3.5
67.05505	59.4
69.03426	4.5
69.07066	13.6
70.73590	2.6
71.04981	6.4
71.76865	1.2
73.02918	1.5
77.03936	1.7
79.05495	47.3
81.02938	1.4
81.03419	43.8
81.07059	55.1
83.04993	12.5
83.08624	21.6
85.02905	20.8
85.06547	2.8
91.03957	2.1
91.05483	40.0
93.07042	45.4
95.04975	25.1
95.08604	37.9
97.02901	4.8
97.06538	3.7
97.10154	4.2
99.08102	1.8
105.07026	24.7
107.04967	4.7
107.08582	19.5
109.06525	3.3
109.10154	12.5
111.04494	1.7
111.08088	6.9
113.06049	1.8
115.05459	1.3
117.07019	5.3
119.07790	2.1
119.08582	23.7
119.10021	1.0
121.06555	2.1
121.10142	19.4
121.82553	1.1
123.08039	2.2
123.11714	3.9
125.09558	2.6
129.06998	7.9
131.08578	15.9
133.06470	2.1
133.10120	15.3
135.11665	8.9
137.09627	3.0
137.13205	1.3
142.07813	2.2
145.10127	6.0
147.08015	2.4
147.11694	13.9
149.09621	5.0
149.13254	5.4
157.10143	10.9
159.11696	3.3
161.13266	2.9
163.11256	1.3
163.14845	1.5
165.12733	3.1
173.13261	2.8
175.11163	9.2
187.14789	1.3
193.10638	2.4
193.12256	30.9
211.13293	44.2
227.20009	2.0
243.21204	1.6
261.22171	10.8
267.15900	11.9
269.17419	2.2
285.16953	49.2
317.24792	1.7
335.25806	82.5
336.26077	2.3
435.32715	2.3
453.33960	1.5
527.37329	12.7
543.72089	1.2
545.38379	100.0
546.39246	2.7
608.19470	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01873	2.4
55.05262	1.5
55.05510	14.6
55.42073	0.8
57.03436	11.1
57.07067	1.4
59.05037	0.9
61.02910	2.1
65.03931	1.4
67.05502	40.8
69.03427	4.3
69.07063	10.0
69.93058	5.9
70.90244	0.9
71.04990	3.2
74.42784	1.1
75.07180	0.8
79.05490	28.6
81.03416	40.7
81.07054	37.2
83.04981	10.8
83.08617	21.7
85.02901	16.9
85.06537	2.2
87.04441	1.0
91.05481	22.9
93.07043	28.5
95.04967	18.7
95.08603	24.3
97.02883	3.7
97.06544	4.4
97.10165	3.9
99.08081	1.6
105.07027	19.0
107.04943	3.0
107.08589	13.9
109.06522	3.6
109.10149	9.9
111.04446	1.3
111.08064	7.3
113.06030	1.9
117.07056	2.4
119.08582	14.2
121.06520	1.8
121.10138	15.0
123.08089	1.3
123.11713	2.6
125.09617	1.1
129.06995	6.5
131.08556	12.5
133.06448	1.6
133.10141	11.0
135.11699	7.2
137.09618	1.7
142.07788	1.4
145.10054	4.5
147.08049	1.8
147.11690	11.4
149.09622	3.5
149.13237	3.5
157.10130	7.6
159.11743	2.3
161.13312	2.2
163.11229	1.0
165.12720	2.4
173.13251	2.2
175.11165	9.8
178.32692	1.0
185.13301	1.2
187.14786	2.3
190.65945	1.2
193.12242	28.8
211.13271	45.5
212.13443	1.0
227.12782	1.3
227.20074	1.0
243.21100	2.0
261.22110	4.5
267.15915	9.1
276.75421	0.9
285.16959	41.1
286.17093	1.2
317.24820	1.6
335.25781	49.2
336.26215	1.4
357.84412	1.0
405.77429	1.0
429.21323	1.1
435.32526	1.1
453.33612	1.7
471.34549	1.2
527.37622	8.2
545.38361	100.0
546.38678	4.0
622.84576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01871	1.7
55.05259	1.1
55.05511	13.9
57.03441	11.6
57.07080	1.2
57.08786	0.6
61.02916	2.4
65.03939	1.7
67.05505	38.1
69.03436	3.6
69.07066	10.0
69.32703	0.7
71.04997	3.6
73.02922	1.6
79.05493	28.4
81.02929	1.0
81.03419	32.5
81.07058	38.1
83.04985	8.7
83.08136	1.4
83.08617	16.8
85.02907	13.6
85.03391	0.4
85.06519	1.5
91.03970	0.9
91.04899	1.0
91.05478	25.0
93.07043	30.6
95.04967	15.5
95.08607	28.1
97.02888	3.1
97.06543	3.6
97.10175	4.1
97.10704	0.6
98.20752	1.4
99.08127	1.2
105.07031	15.6
105.07686	1.3
107.04956	2.4
107.08598	15.4
109.06519	3.1
109.10162	8.7
111.04451	1.2
111.08073	5.1
113.06029	1.6
114.86310	0.7
115.05486	1.0
117.07033	2.8
119.08588	14.5
121.10136	13.5
123.08076	2.3
123.11671	3.7
125.09622	1.0
129.07007	4.2
130.86134	0.7
131.08565	10.1
133.06511	1.0
133.10129	8.1
135.11685	6.1
137.09619	2.0
142.07751	1.8
145.10143	5.3
147.08047	2.0
147.11679	10.0
149.09578	4.3
149.13251	2.4
157.10146	8.7
159.11722	2.7
161.13268	1.9
163.11224	0.8
165.12762	2.6
173.13283	1.9
175.11160	8.2
187.14836	1.3
189.11211	1.1
193.12247	25.5
201.16394	0.7
211.13290	34.4
211.80034	0.7
227.12685	0.9
243.21118	1.7
261.22104	5.7
267.15860	7.8
283.15591	1.1
285.16980	37.2
286.17523	0.8
317.24725	1.7
335.25800	66.3
336.26117	1.7
337.26193	0.9
374.66751	0.8
406.16507	0.8
435.32928	1.2
453.33582	1.1
527.37396	8.0
545.38373	100.0
546.38788	3.3
563.39154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01867	4.0
55.05509	16.3
56.05035	5.2
57.03441	15.0
57.07070	3.7
61.02933	11.1
64.78018	2.4
66.14548	2.2
67.05506	47.5
68.05009	2.9
69.03420	6.3
69.07069	13.7
70.02947	4.0
70.06580	13.2
70.60085	2.3
71.05027	2.7
71.21735	4.1
72.04510	6.2
79.05492	37.5
80.05016	7.7
81.03418	45.4
81.07058	56.5
82.06571	4.9
83.04976	6.3
83.08627	16.5
84.04491	2.3
85.02894	9.2
86.06090	2.7
91.03947	5.5
91.05473	30.0
93.07052	42.1
95.04961	17.0
95.08610	34.9
96.04496	3.6
97.02890	12.2
97.06525	4.9
97.10157	4.5
97.18845	2.2
98.06068	4.4
99.08087	4.1
99.87183	2.0
105.07035	19.8
107.04990	4.4
107.08589	21.4
109.06540	4.2
109.10168	14.7
111.08089	5.0
113.39605	2.0
116.99380	1.9
117.07028	7.8
119.08593	18.8
121.06477	4.2
121.10140	24.9
123.08032	5.6
123.11696	3.4
125.09631	2.8
127.03900	2.9
129.06996	6.4
131.08580	11.9
133.10117	14.6
135.08035	3.3
135.11699	8.8
138.12747	5.1
139.11226	2.5
140.10753	2.4
144.06549	2.4
145.10114	6.3
147.08054	2.7
147.11635	10.5
148.11195	2.9
149.09616	8.1
149.13251	6.1
157.10141	5.2
159.11682	4.8
161.13229	3.5
161.22261	2.1
163.14824	3.1
164.14273	2.7
165.12828	2.2
166.12268	15.2
173.13206	3.4
175.11157	5.5
182.15430	31.5
184.13316	15.5
192.13889	3.9
193.12253	22.8
210.14899	64.2
211.13429	2.7
227.12839	2.5
228.15868	4.6
243.21088	3.5
249.14934	3.1
258.17108	4.9
261.22131	18.3
267.15927	100.0
272.20245	3.4
284.18594	12.9
302.19510	10.8
335.25812	89.5
388.18170	3.3
453.33505	3.2
518.38336	7.5
527.37396	42.8
527.45105	1.7
536.39569	20.7
544.40106	12.4
545.38684	19.9
562.41064	74.0
570.69330	2.3
580.41785	5.1
706.45239	4.6
724.46387	26.2
742.48285	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01464	1.7
55.01644	1.1
55.01869	5.7
55.05513	15.0
57.03439	11.9
57.07096	0.9
59.04998	1.5
61.02924	1.2
61.14534	0.7
65.03931	1.7
67.05508	21.7
68.99773	0.9
69.03426	7.0
69.07066	8.2
70.06595	1.6
71.01360	0.8
71.04989	5.0
73.02942	0.9
79.05489	26.5
81.03417	55.4
81.07058	23.9
83.04972	7.4
83.08618	15.4
84.08158	1.1
85.02909	5.9
85.06545	3.0
91.05480	27.0
91.84815	0.7
92.05830	1.2
93.07044	21.1
95.04967	22.7
95.08606	12.6
95.09164	1.1
97.02906	4.9
97.06522	4.0
97.10171	14.3
99.04460	1.8
99.08097	1.1
101.06039	0.7
103.05476	2.7
104.45992	0.8
105.03455	1.0
105.07030	15.8
105.07681	1.2
107.04955	21.2
107.08599	13.4
109.02882	3.9
109.06516	18.0
109.10147	7.3
111.04441	2.5
111.08091	6.3
115.05448	1.7
117.03375	2.1
117.07020	5.4
119.04941	10.8
119.08582	13.3
120.05286	2.3
120.08111	0.8
121.06514	13.0
121.10125	12.5
123.04438	2.5
123.08052	6.0
123.11736	1.2
125.05986	1.1
125.09635	12.0
127.03921	4.5
128.06242	1.6
129.07008	10.0
131.04909	4.9
131.08577	12.9
132.05705	1.8
133.02869	1.4
133.06503	5.3
133.10117	7.6
135.04408	1.6
135.08054	7.8
135.11705	2.7
137.06004	4.6
137.09627	2.8
139.11186	3.1
140.04652	1.3
141.06967	2.3
142.07773	1.6
143.05661	9.6
143.08589	3.0
144.05814	0.8
145.02859	5.5
145.06483	7.5
145.10109	5.7
146.03525	0.8
147.03236	1.5
147.04381	12.0
147.08069	6.0
147.11668	6.4
148.04817	1.3
149.05980	1.9
149.09619	6.3
151.03900	0.9
151.07498	1.3
151.11198	1.5
153.01834	2.1
153.09106	2.2
153.12721	1.2
155.08557	2.0
157.06525	1.8
157.10126	7.1
157.62964	0.9
159.08076	2.9
159.11650	1.5
161.05977	3.4
161.09634	2.8
163.03911	1.3
163.07593	1.4
163.11206	5.2
165.12773	1.8
167.07076	9.7
167.08472	1.4
167.10677	1.4
169.10120	1.4
171.08011	1.5
171.10223	0.9
171.11691	2.2
173.09666	2.0
173.11960	1.0
173.13275	3.2
175.03906	15.1
175.07520	1.7
175.11176	6.5
176.04253	5.0
177.05484	13.6
177.12692	1.7
178.05867	3.6
179.07022	1.2
181.04971	1.6
181.10144	1.3
183.08090	1.1
183.11575	1.2
185.11734	1.1
187.11223	1.8
187.15004	0.8
189.09244	1.2
189.11224	5.5
189.12769	2.2
191.07056	1.8
191.10701	1.3
191.14275	4.6
192.07858	1.1
193.08629	1.3
193.12238	16.6
195.11774	1.8
197.13351	1.1
199.11198	2.2
201.12813	1.6
203.03484	1.4
205.04921	1.2
205.12360	1.4
207.06532	25.5
207.08379	1.7
208.06876	9.3
209.13345	1.3
211.13313	1.9
213.12787	1.6
215.14369	2.2
219.06549	1.0
219.13800	11.3
223.11295	1.2
223.13245	1.2
225.05498	1.0
225.12779	0.8
227.12680	2.0
227.14604	1.1
229.04945	1.5
229.72310	1.1
231.06720	1.1
233.15384	3.7
237.12766	1.3
241.14290	1.5
242.05666	2.5
249.14986	0.9
253.04950	0.9
255.13899	2.2
257.04456	21.1
258.05130	3.9
259.13159	1.5
259.15469	7.6
267.15936	42.0
268.16266	1.4
269.04620	0.8
271.06107	2.3
271.16885	1.0
272.06458	0.8
273.14801	5.6
285.03952	3.1
286.04745	10.1
287.05530	16.4
287.16330	0.9
288.05777	4.0
291.08655	2.4
292.08807	1.1
293.17493	8.5
297.03882	1.7
299.05539	1.4
301.16443	1.2
315.08917	1.1
327.04944	0.9
331.20712	1.0
339.23224	1.6
341.06628	1.2
349.21881	4.7
349.25540	0.9
357.24301	2.4
367.22693	14.6
369.11655	0.9
385.23764	22.6
401.25424	0.9
403.24823	10.5
433.25735	1.0
441.26257	7.4
451.26926	3.8
459.27423	100.0
460.27512	3.7
465.11731	2.6
477.12109	6.8
477.28479	90.2
478.28766	2.9
491.30154	7.8
495.12878	45.7
495.29068	6.5
501.28525	2.5
509.31662	3.6
538.18591	0.8
567.29602	1.7
585.30219	1.2
627.15234	0.9
657.18420	1.6
742.40265	1.4
742.52454	3.0
743.17371	1.8
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	Unknow
Peak:m/z	Relative Intensity
54.35497	0.0
55.01852	0.1
55.56393	0.1
57.03417	0.1
58.92867	0.0
60.21137	0.0
67.01865	0.3
68.99802	0.2
69.03394	0.2
70.06573	0.1
71.04648	0.1
71.04989	0.7
71.59497	0.1
72.51975	0.0
73.02885	0.0
75.04443	0.1
77.21825	0.1
83.04948	0.1
85.02431	0.1
85.02904	1.1
86.09672	0.1
91.05455	0.2
91.11811	0.1
95.04963	0.1
97.02837	0.1
99.04469	0.1
109.02855	0.1
111.04404	0.1
119.04942	1.1
121.02889	0.3
127.03854	0.1
129.01801	0.1
129.05457	0.2
135.04436	0.1
137.02338	0.1
137.05972	0.1
139.03871	0.1
143.05637	0.5
145.02808	0.4
147.04358	0.1
147.06450	0.1
151.03873	0.1
153.01822	2.5
157.06456	0.1
161.05869	0.1
163.03893	0.7
167.06981	0.1
171.02898	0.7
175.03789	0.1
177.05507	0.1
187.03857	0.1
203.07066	0.1
207.06474	0.1
219.01613	0.1
225.05437	0.3
229.04958	0.2
243.06541	0.2
247.05998	0.2
253.05002	0.1
271.05994	100.0
272.06308	1.3
283.05957	0.1
287.05600	0.1
295.05975	0.2
297.07516	0.1
313.07089	0.2
337.06995	0.1
349.07074	0.1
367.08075	0.1
409.09265	0.1
433.11292	21.4
434.11447	0.3
457.11261	0.1
541.12860	0.1
559.14130	0.1
577.15375	0.1
579.16852	0.1
595.16431	0.4
741.22247	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2232
Annotation	CHEBI:75438
Peak:m/z	Relative Intensity
53.03917	0.4
55.01854	0.7
55.05478	0.6
57.03437	4.6
58.00592	0.3
60.23829	0.3
61.02887	0.5
65.03918	0.5
68.17171	0.3
68.99764	0.6
69.03402	0.7
70.06555	0.3
71.04990	22.5
71.33472	0.5
73.02893	0.6
75.04443	1.1
81.03385	1.1
83.04976	1.3
84.08124	0.3
85.02902	26.3
87.04424	1.1
91.05472	2.2
93.06949	0.3
97.02866	0.6
99.04436	0.3
107.12976	0.3
109.02876	1.4
111.00777	0.3
111.04382	1.1
119.04933	2.3
121.02103	0.3
121.02869	4.4
123.04362	0.8
127.03881	0.8
129.05472	4.1
133.02756	0.5
135.04407	0.7
137.02325	0.5
139.03862	0.8
141.01797	0.5
143.05652	1.7
145.02850	2.0
147.04366	1.2
149.02316	0.7
153.01727	0.6
161.05708	0.3
163.03891	2.6
165.01820	3.6
167.03391	2.3
167.06979	0.5
175.03917	0.3
177.01834	0.6
177.05486	1.0
179.10861	0.3
181.04936	0.9
183.02864	3.0
187.03856	0.6
191.03375	0.9
195.02936	1.3
203.03525	0.4
205.04865	0.8
207.06493	0.5
215.98340	0.4
221.04504	0.4
227.76736	0.3
229.04930	1.2
231.02856	0.3
233.04356	0.8
239.06992	1.2
243.02892	0.8
247.05949	0.5
249.03839	0.4
261.03897	1.0
267.04327	0.3
267.06509	10.3
270.05246	3.2
271.06006	26.0
279.06531	0.8
281.08069	7.5
283.05997	100.0
284.06750	9.4
285.07535	1.0
287.05447	0.8
293.08087	0.9
294.05130	0.5
295.06009	13.0
295.09595	2.9
297.03922	0.8
297.07574	2.6
299.05539	0.4
305.08087	2.5
307.05960	2.6
308.06754	1.8
309.04016	1.4
309.07529	23.8
311.05460	1.1
313.07037	87.8
314.07333	1.0
321.07483	3.1
323.05746	0.8
323.09103	14.7
325.07007	0.8
331.08383	0.4
333.07623	3.7
335.05408	0.6
335.09177	0.4
337.07034	36.9
349.07037	11.3
349.11334	0.4
351.08597	2.7
361.07059	11.4
367.08127	6.1
379.08109	16.9
397.09186	9.7
409.08920	0.4
415.10233	10.3
432.94046	0.3
433.11362	6.7
445.11292	4.6
475.12357	24.6
499.12375	11.1
511.11832	0.6
529.13403	19.2
541.13361	5.4
559.14343	12.6
577.15503	38.4
578.15991	0.3
595.16547	37.3
603.14191	0.3
741.22522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2232
Annotation	Apigenin 7-O-(2G-rhamnosyl)gentiobioside
Peak:m/z	Relative Intensity
51.95823	0.1
57.03411	0.1
59.80191	0.1
62.67610	0.1
67.01856	0.2
68.99796	0.2
69.03403	0.1
69.27895	0.2
69.28304	0.7
70.06577	0.2
71.04976	0.6
74.08733	0.1
75.04450	0.1
79.05471	0.1
81.03394	0.1
83.04944	0.1
85.02910	1.0
91.05470	0.2
97.02876	0.1
111.04451	0.1
119.04129	0.1
119.04942	1.0
119.45731	0.1
121.02103	0.1
121.02828	0.4
123.04350	0.1
127.03909	0.1
129.05466	0.3
135.04407	0.1
136.12039	0.1
137.02316	0.1
137.05917	0.1
143.05650	0.5
145.02852	0.4
147.06485	0.1
153.01822	2.4
163.03925	0.6
167.06989	0.1
171.02907	0.6
177.05502	0.1
187.03902	0.1
225.05486	0.2
229.05022	0.2
243.06435	0.2
247.05995	0.2
271.06009	100.0
272.06354	1.3
295.06033	0.2
297.56165	0.1
313.06985	0.1
433.11325	22.4
434.11560	0.3
579.17780	0.1
595.16382	0.3
741.22839	0.3
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-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03936	0.1
55.05500	0.1
57.03186	0.1
57.03441	0.8
63.97876	0.0
67.01857	0.3
68.99777	0.3
69.03410	0.1
70.08216	0.3
71.01353	0.1
71.04991	4.3
73.02910	0.1
75.04477	0.2
81.03400	0.1
82.22903	0.0
83.04986	0.3
85.02903	5.4
87.04461	0.1
89.03908	0.1
95.04969	0.1
95.42505	0.0
97.02890	0.1
99.04423	0.1
103.03903	0.1
109.02884	0.1
111.00815	0.0
111.04445	0.4
115.66326	0.0
117.03368	0.1
119.04933	0.1
123.04418	0.1
123.72427	0.1
124.52667	0.0
127.03903	0.1
129.01833	0.1
129.05484	1.6
135.04410	1.1
137.02348	0.4
143.05682	0.1
145.05121	0.1
146.12314	0.0
147.06531	0.4
153.01825	3.2
153.05470	0.1
157.06329	0.1
161.02336	0.4
163.06097	0.1
167.06935	0.1
171.02904	0.7
179.03386	0.2
183.28273	0.1
201.05614	0.1
203.03391	0.1
213.05484	0.1
219.06519	0.1
231.06380	0.1
239.09201	0.1
241.04881	0.3
245.04419	0.1
263.05585	0.1
269.04446	0.3
270.05032	0.1
271.06009	2.4
283.05777	0.1
287.05490	100.0
288.05817	1.6
299.05566	0.1
329.06491	0.2
353.06223	0.1
397.08957	0.1
425.44437	0.1
433.11264	0.2
449.10861	1.3
579.17096	0.1
595.16565	4.6
596.16724	0.1
620.31866	0.1
741.24078	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	741.2234
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.01884	0.1
55.05508	0.1
57.03441	1.0
59.04986	0.1
60.61985	0.1
61.02923	0.2
66.92882	0.1
67.05506	0.1
69.03431	0.5
69.07072	0.1
69.51402	0.1
69.58617	0.2
69.59039	0.4
70.06602	0.1
71.04594	0.2
71.04992	3.6
73.02920	0.8
75.04487	0.2
76.52142	0.1
77.35468	0.1
81.03432	0.2
83.04984	0.4
85.02901	4.3
86.09708	0.1
87.04478	0.2
91.05476	0.2
95.04972	0.1
97.02878	0.6
99.04474	0.2
100.11254	0.1
103.05494	0.1
105.07012	0.1
107.04957	0.1
109.02900	0.1
109.19244	0.1
111.04473	0.3
115.03952	0.3
117.03361	0.1
119.04937	0.2
121.02882	0.1
127.03894	0.4
129.05466	1.3
133.02840	0.2
135.04436	0.1
137.06000	0.1
143.05641	0.4
145.02861	0.2
147.04462	0.1
147.06526	0.4
149.05922	0.2
151.03935	0.2
152.04993	0.1
153.01811	0.8
167.06975	0.4
169.01239	0.1
171.02884	0.3
175.03922	0.4
177.05498	0.3
178.05000	0.2
179.05222	0.1
193.08624	0.1
206.04489	0.4
207.04817	0.2
207.06598	0.2
225.07755	0.1
226.71312	0.1
229.04926	0.2
241.04935	0.1
258.05237	8.9
259.05917	0.2
270.05075	0.1
271.05991	2.0
286.04715	28.6
287.05487	13.0
301.07053	100.0
302.07401	0.6
313.07025	0.1
323.09686	0.1
325.10751	0.1
326.11157	0.1
331.08591	0.1
343.08017	0.2
367.07892	0.2
397.08856	0.2
433.11087	0.2
445.11487	0.1
449.10883	0.2
463.12332	1.7
595.16589	2.9
609.09076	0.1
609.18195	2.3
644.63995	0.1
741.25641	0.3
741.53949	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	741.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01869	1.0
55.05513	0.6
57.03436	0.6
61.02916	0.6
61.56657	0.4
63.02376	1.0
65.03959	0.4
67.05501	1.0
68.99781	0.5
69.03441	1.9
69.07067	0.7
70.06591	0.7
70.16827	1.6
71.04984	0.9
72.08150	0.4
78.04699	1.0
79.05495	0.7
81.03418	1.5
81.07049	0.6
84.08142	0.5
85.02898	2.2
86.06081	0.6
87.85183	0.4
89.03923	13.4
91.05473	3.1
93.07047	0.8
95.04978	1.4
95.08621	0.8
97.02892	1.3
99.10300	0.4
103.05463	1.5
104.63055	0.4
105.07032	1.0
106.04151	0.6
107.04948	0.7
107.08602	0.6
109.02876	1.5
109.10120	0.4
112.35645	0.4
115.05456	0.9
117.03384	33.0
117.06968	0.6
119.04974	2.2
119.08542	0.7
121.02878	5.9
121.06498	0.9
121.10133	0.5
123.04392	0.8
127.03927	2.2
131.04900	1.0
133.10121	0.8
134.03615	2.0
135.04420	3.7
135.11693	0.5
137.05997	1.7
143.05682	4.3
143.08611	0.6
145.02850	74.6
145.10138	0.5
146.03212	0.5
147.04442	2.8
147.11638	0.5
149.05995	9.9
151.03862	0.9
153.01770	0.4
159.04478	0.8
160.05226	0.7
161.05997	0.6
162.05498	0.9
163.03941	3.8
163.07556	0.6
167.07054	2.7
175.03889	1.5
175.07602	0.7
177.05476	100.0
178.05916	0.5
179.03424	0.8
179.06914	0.5
181.04953	0.8
186.05515	1.8
187.03979	0.7
187.07613	0.5
189.01825	0.5
189.05479	1.0
191.03404	0.9
193.08528	0.4
195.02814	0.7
197.05975	0.4
198.04019	0.4
201.05499	1.5
203.03409	1.0
205.04991	0.9
206.04646	0.4
207.02895	1.3
207.06387	2.9
208.05969	0.4
209.04454	0.5
219.02916	0.8
219.06468	2.2
221.04465	0.8
231.02953	0.4
239.07463	0.5
251.07207	0.5
255.06548	0.5
267.06470	0.5
268.07260	1.1
271.06061	2.3
279.06534	0.6
281.08096	0.6
283.06058	2.3
284.06735	0.9
285.07605	0.5
287.05484	5.7
293.08224	0.8
293.11368	0.5
294.05328	2.1
295.02859	0.6
295.06024	6.9
296.06686	0.6
297.07596	1.1
307.06027	8.1
308.06818	2.1
309.07440	4.1
313.07013	3.7
319.06036	1.7
321.07431	3.6
322.08047	0.5
323.09341	0.7
325.07080	7.4
329.07782	0.4
333.07474	1.4
335.05417	0.8
335.09082	1.2
336.06110	0.4
337.03168	0.7
337.07074	10.5
337.11099	0.6
339.10953	4.7
347.09280	0.8
349.07025	3.5
351.08478	1.6
355.08044	1.4
361.06970	2.0
363.08536	1.3
365.10098	0.5
367.08197	4.1
373.06989	1.1
375.08954	0.8
379.08090	7.0
385.09268	3.7
391.08118	5.6
397.09131	1.7
399.10321	1.6
403.10507	6.7
405.09378	1.0
409.09171	3.4
415.09256	0.6
421.09171	2.2
427.10321	13.6
429.09561	0.4
433.09286	1.2
439.10629	0.9
441.09674	1.1
445.11310	4.4
451.10345	2.4
455.11084	1.8
457.11404	2.6
463.10028	0.6
467.11307	1.0
469.11328	3.0
471.10370	0.7
475.11002	1.3
481.11304	1.6
483.10571	1.5
484.19604	0.4
485.12408	1.8
493.11322	2.7
495.10297	1.3
499.11819	0.7
509.12189	0.6
511.12662	2.5
513.11841	4.9
517.18542	0.6
521.11389	0.5
529.13336	3.1
531.12927	3.7
537.11639	0.9
539.13129	0.7
547.14532	3.8
549.11987	0.8
557.14441	0.4
559.15326	0.6
565.15259	1.0
567.12518	2.0
579.13483	0.4
585.05298	0.7
585.13928	8.6
603.15051	6.2
615.14795	0.6
621.16040	4.0
633.15985	1.6
651.17023	3.8
705.18384	0.7
723.18713	0.9
726.74359	0.4
741.18701	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01861	1.2
55.05501	1.0
57.03439	0.5
61.02917	1.4
65.03928	2.0
67.05502	3.2
68.99806	1.9
69.00111	0.4
69.03426	2.8
69.07061	1.0
70.06584	0.5
70.75807	0.6
71.01343	1.3
71.04986	0.7
73.02920	0.7
77.03926	0.8
79.05493	2.2
81.03421	5.5
81.07047	1.2
83.04976	1.1
83.08612	0.5
85.02913	1.0
87.00813	0.8
87.04466	0.4
89.03921	1.3
89.25832	0.3
91.05482	30.0
92.05821	0.8
93.07048	1.4
95.04983	3.4
95.08605	0.8
97.02900	2.2
97.06553	0.6
99.04436	0.5
103.05416	1.7
105.03391	1.9
105.07022	2.2
107.04941	2.2
107.08606	0.9
109.02876	8.0
109.06516	0.6
109.10137	0.6
111.04438	1.3
111.08079	0.5
115.05444	1.1
117.03358	1.1
117.07028	0.9
119.04942	45.4
119.08549	1.0
119.09425	0.5
120.05280	0.5
120.08887	0.4
121.02963	0.4
121.06502	0.6
121.10167	1.8
122.03649	0.6
122.05999	0.4
123.04424	2.7
124.05237	0.3
127.03926	2.5
128.06239	0.6
129.01822	1.6
129.03380	0.9
129.06998	1.5
131.04924	1.1
131.08583	1.7
132.02057	1.3
132.05563	0.4
133.02744	0.4
133.06487	1.6
133.10106	0.5
135.04384	2.0
135.11702	1.1
136.05212	0.7
137.02390	0.4
137.05925	0.7
139.05493	0.4
141.06993	1.5
143.05687	4.3
144.05693	0.8
145.02853	2.1
145.06499	1.2
145.10139	1.4
146.03569	0.4
147.04411	42.2
147.11656	0.4
148.04967	0.4
149.02359	1.2
149.06026	0.5
151.03909	1.5
153.01801	2.8
153.05525	0.4
153.06972	0.5
153.12737	0.3
154.06255	1.3
155.04936	0.4
155.08530	0.5
156.05678	0.6
157.03984	3.7
157.06465	1.6
159.04419	0.5
159.08061	1.1
160.05138	0.5
161.02272	0.4
161.06010	4.2
163.03845	0.5
163.07669	0.5
163.11171	1.3
164.04700	1.0
165.06981	0.6
166.68826	0.3
167.07054	4.9
168.05704	0.4
169.06465	1.5
171.02963	0.7
172.05263	0.4
173.05972	0.8
173.09572	0.5
174.06691	0.6
175.03909	75.2
176.04292	1.8
177.05475	3.0
178.06232	0.5
179.03384	2.6
179.07010	2.9
181.04951	0.8
181.12177	0.6
184.05231	0.9
185.05920	2.0
187.03920	0.8
187.07526	1.9
188.04671	0.7
188.88689	0.4
189.05392	1.9
189.09239	0.7
191.07014	2.2
191.10721	0.8
192.04088	0.5
193.08633	1.4
193.12207	1.1
197.04459	0.5
197.06110	0.4
198.06744	0.4
199.07545	0.7
200.04665	0.6
201.05450	1.0
202.06223	0.4
203.06941	1.9
204.07788	0.6
205.04951	0.4
206.05797	0.5
207.06531	100.0
208.06908	1.7
211.07527	0.7
212.04732	1.4
213.03763	0.8
213.05475	1.3
214.06325	0.5
215.03461	0.6
215.06993	1.8
216.04184	0.6
217.08588	1.3
219.06538	5.1
221.08032	2.6
223.06114	0.5
225.10201	0.6
226.06223	0.6
227.07100	0.8
227.12714	0.3
230.05725	0.9
231.06555	4.2
232.07210	1.1
233.08188	0.8
235.06015	0.8
235.09694	0.5
237.10165	0.6
239.07025	0.4
239.11757	0.6
241.04994	1.3
242.05936	0.5
243.06473	0.4
245.08093	6.9
247.06131	1.8
247.09709	1.2
248.06836	0.3
249.07588	0.8
250.10883	0.4
251.11676	0.8
255.06499	0.7
256.07410	1.0
257.04437	0.5
258.05374	0.5
259.05975	1.2
259.09705	0.9
261.07669	2.0
263.09164	10.3
263.11850	0.4
265.13718	1.0
267.15961	2.5
269.04425	0.5
271.06116	0.8
271.09610	0.7
272.06873	0.5
273.07550	3.5
279.11328	0.7
283.06226	0.5
283.15381	2.0
287.05518	67.8
287.08868	4.0
288.05774	1.8
291.08630	46.2
292.08893	1.1
297.07626	0.6
297.12427	0.4
300.06281	0.5
301.16364	2.1
302.16937	0.4
303.08508	0.6
311.13782	0.7
315.08609	13.8
331.08139	0.5
333.09668	7.6
351.10635	1.8
369.11859	1.2
371.16135	1.1
401.08685	0.5
419.09799	1.0
437.10760	8.5
455.11890	12.1
457.26251	0.7
475.26828	2.5
476.27142	1.5
492.20898	0.6
493.27896	1.5
494.28424	1.0
578.32123	0.5
600.23737	1.7
601.24091	0.4
605.59546	0.4
619.25085	1.3
690.48370	0.3
723.29980	0.9
741.43146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01877	0.6
59.40434	0.2
61.02918	1.1
65.03925	1.6
67.05505	0.8
68.99783	1.6
69.03427	2.2
69.94461	1.4
71.01379	0.9
73.87228	0.3
76.03126	0.3
77.03925	0.6
79.05483	0.7
81.03416	2.2
85.02892	0.5
87.00835	1.1
89.03922	0.7
90.04716	0.3
91.05479	24.5
92.05847	0.3
93.07056	0.3
93.98821	0.2
94.75587	0.2
95.04969	1.8
97.02896	0.9
99.04467	0.3
103.05448	1.2
105.03393	0.8
105.07028	0.8
107.04963	0.8
109.02878	7.0
115.05456	0.7
117.07008	0.5
118.97075	0.3
119.04942	42.7
120.05262	0.6
123.04432	2.2
127.03928	1.5
128.06238	0.5
129.01837	2.3
129.03372	0.5
129.07025	0.9
131.04941	1.0
131.08601	0.4
132.02037	1.4
133.02824	0.6
133.06483	1.1
135.04401	0.7
136.05219	0.5
137.02307	0.4
141.06993	1.2
144.05727	1.1
145.02856	0.7
145.06462	0.9
147.04407	38.7
148.04781	0.5
149.02335	1.1
151.03905	1.2
153.01869	0.9
153.05482	0.4
153.06970	0.4
154.06241	0.8
155.04875	0.4
156.05637	0.3
157.03943	3.3
157.06479	1.3
159.04387	0.4
159.08047	1.1
160.05170	0.4
161.02283	0.4
161.06009	3.0
163.07506	0.4
164.04654	0.9
165.06958	0.4
167.07057	2.8
168.05688	0.3
169.05211	0.3
169.06450	1.7
171.02977	0.4
171.04340	0.3
172.05154	0.6
173.05943	0.5
174.03165	0.4
174.06757	0.3
175.03903	72.0
176.04353	1.4
178.06308	0.3
179.03395	1.8
179.07016	3.3
181.04958	0.7
181.06467	0.5
183.08089	0.5
184.05188	0.7
185.05986	1.8
187.07530	2.0
188.04697	0.8
189.05467	2.0
191.07030	1.8
192.04140	0.4
193.08604	1.2
197.04457	0.6
197.06036	0.5
199.03885	0.4
199.07538	0.6
200.04735	0.7
201.05463	0.5
202.06152	0.4
203.07031	1.2
205.04945	0.3
207.06523	100.0
208.06866	2.0
211.07623	0.4
212.04704	0.8
213.03728	0.4
213.05557	1.3
215.03398	0.5
215.07047	1.1
216.07614	0.3
217.05060	0.5
217.08572	1.0
219.06534	4.6
221.08086	2.3
225.07475	0.4
227.06967	0.9
229.04967	0.6
230.05777	0.8
231.06563	3.0
232.07327	0.7
233.08147	0.4
235.06041	0.7
235.09647	0.7
241.04932	0.8
245.08095	5.7
246.08575	0.4
247.06052	1.2
247.09671	1.2
249.07617	0.6
255.06706	0.5
256.07275	0.9
257.04456	0.4
257.08032	0.3
258.05399	0.5
259.05972	1.1
259.09552	0.6
261.07632	1.9
263.09140	8.7
269.08044	0.4
271.09598	0.4
272.06830	0.8
273.07547	3.7
283.06088	0.6
287.05530	27.8
287.09000	3.2
288.05786	0.9
289.10544	0.4
291.08621	46.5
292.08997	1.5
297.07553	0.4
300.06335	0.5
303.08823	0.3
315.08627	14.2
316.08600	0.4
324.23404	0.3
333.09662	7.4
344.21930	0.3
351.10730	1.0
391.09732	0.3
401.08469	0.5
419.09723	1.2
437.10779	9.7
455.11844	14.7
456.12091	1.0
493.31400	0.5
494.60342	0.3
504.60132	0.3
544.23248	0.3
662.26660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
55.01877	2.0
55.05510	10.5
57.03435	8.2
57.07049	1.6
58.02349	0.4
61.02893	1.2
65.03928	1.8
67.05500	33.6
69.03403	0.7
69.07066	10.2
69.34204	0.7
69.34610	3.2
71.04993	2.0
73.02875	0.9
79.05489	30.6
81.03372	1.4
81.07053	36.2
83.04976	2.6
83.08613	6.8
85.02872	0.9
85.06522	0.8
91.05476	12.1
93.07038	39.8
95.04964	6.0
95.08602	42.5
97.02888	3.0
97.06535	3.3
97.10147	2.2
99.04440	3.0
103.05371	0.4
105.07022	9.3
107.04306	0.5
107.04956	4.8
107.08588	27.7
109.06492	1.7
109.09470	0.8
109.10149	10.0
111.04391	0.8
111.08018	1.2
113.05997	0.7
113.09640	0.7
115.05377	0.5
117.07014	7.6
119.08569	10.5
121.06528	4.1
121.10143	14.6
123.08060	0.9
123.11710	2.3
125.05972	2.1
127.07619	0.5
129.06975	0.9
130.07782	0.8
131.08566	3.8
133.10136	4.8
135.08040	1.6
135.11685	35.1
136.12001	0.8
137.09608	0.6
137.13185	0.6
139.07556	0.7
139.11191	0.4
143.08492	0.6
145.10115	20.9
147.11678	2.4
149.13248	2.8
153.12682	0.6
159.11664	1.9
161.13257	2.0
163.11172	37.5
163.14801	1.1
164.11441	0.5
173.13252	2.0
175.14780	0.5
177.16364	0.5
181.12222	6.2
187.14711	0.4
209.11708	0.9
219.17264	0.4
227.12766	53.1
228.13055	1.0
243.21060	1.9
261.22168	6.4
283.15375	46.8
284.15747	0.8
317.24622	2.6
320.94785	0.4
326.23224	0.4
335.25778	100.0
336.26135	3.2
432.12949	0.5
543.36798	77.5
544.37042	3.5
567.98761	0.5
589.98041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.5
55.01861	3.5
55.05510	15.6
57.03440	9.6
57.07046	2.1
60.91882	0.6
61.02917	0.9
65.03915	2.1
67.05505	41.7
69.03390	1.7
69.06740	0.8
69.07068	12.7
70.18468	3.1
71.04958	2.1
73.02888	1.2
79.05492	40.1
81.03379	2.7
81.07056	45.6
83.04945	3.1
83.08155	0.7
83.08622	10.6
85.02888	1.6
85.06521	1.4
91.03877	0.7
91.05475	16.4
93.07041	55.3
95.04973	9.0
95.08604	56.5
97.02892	3.8
97.06531	5.3
97.10137	2.5
99.04431	3.0
103.05453	1.4
105.07025	10.4
105.34023	0.7
107.04958	8.3
107.08592	36.8
109.06478	2.5
109.09484	0.8
109.10155	12.1
111.04448	1.0
111.08087	1.1
113.09655	1.0
117.07006	12.3
119.01485	0.6
119.07814	0.9
119.08581	13.7
121.06530	5.1
121.10138	21.2
123.11673	2.7
125.05966	2.4
129.06909	0.8
130.07727	2.0
131.08588	5.2
133.10150	6.6
135.08014	2.3
135.11691	50.2
136.12071	1.0
137.09575	0.7
137.13290	0.8
139.07526	2.7
143.08548	1.2
145.10121	31.3
147.11659	2.6
149.13252	1.7
159.11642	1.9
161.13206	1.3
163.11182	58.9
164.11501	1.7
173.13226	2.1
181.12236	10.8
209.11728	1.8
210.15947	0.8
227.12778	86.6
228.13034	1.8
243.21039	3.3
261.22101	8.5
283.15390	100.0
284.15649	1.9
304.77249	0.7
317.24667	2.5
335.25790	98.9
336.26144	2.4
469.33115	0.9
517.82684	0.8
543.36816	89.1
544.37024	4.5
561.36981	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01885	1.4
55.05512	5.5
57.03440	4.3
57.07078	0.6
59.05006	0.3
61.02928	0.5
65.03947	0.7
65.61932	0.2
67.05506	18.7
69.03416	1.6
69.07070	2.4
69.81966	1.9
71.04993	7.8
79.05492	11.3
81.03419	16.9
81.07057	27.6
83.04982	2.5
83.08615	5.0
85.02908	0.9
85.06544	2.7
87.04495	0.4
91.05479	11.8
93.07045	8.9
95.04971	10.7
95.08608	5.6
97.02901	0.9
97.06524	2.4
97.10159	2.6
98.21432	0.4
99.04429	0.3
99.08070	0.6
103.05481	0.3
105.07031	8.9
107.04961	6.6
107.08593	6.9
109.02824	0.3
109.06519	5.5
109.10168	3.7
111.04439	0.7
111.08081	1.7
113.06027	0.4
115.05448	0.6
117.07013	3.7
119.04948	0.7
119.08585	5.6
119.09402	0.2
121.06514	6.1
121.10152	3.9
123.04479	0.6
123.08060	1.6
123.11700	3.5
125.09605	2.1
127.07583	0.5
129.05566	0.3
129.07001	3.5
131.04910	0.8
131.08566	5.7
133.06497	1.5
133.10130	6.8
135.08052	2.0
135.11696	1.8
137.05977	0.4
137.09610	0.9
141.07014	0.6
142.07782	0.7
143.08574	2.0
145.06508	1.7
145.10124	3.1
147.04398	0.4
147.08035	2.2
147.11713	2.2
149.09592	2.7
149.13292	1.5
151.11205	2.2
153.09161	0.4
155.08546	1.1
157.06538	0.3
157.10130	2.8
159.08046	0.7
159.11705	2.0
161.09653	1.1
161.13287	0.4
163.11165	1.8
165.12802	0.9
167.08548	0.5
169.10115	1.2
169.12289	0.5
171.11710	1.3
173.09630	0.6
173.13246	1.7
175.03889	0.5
175.11176	2.2
177.05591	0.3
177.12761	1.2
183.11665	0.6
183.13914	0.3
185.13231	0.7
187.11247	0.8
187.13318	1.4
187.14804	0.3
189.09261	0.3
189.11244	1.1
191.14265	1.7
193.12241	4.0
195.11790	0.6
197.13298	0.4
199.11226	0.6
199.14906	0.8
201.12840	0.6
203.14333	0.5
205.12280	0.8
209.13322	0.7
211.13168	0.4
213.12816	0.5
215.14380	0.5
217.12344	0.4
217.15942	0.8
219.13808	3.6
221.15358	0.7
223.13220	0.4
227.12650	0.6
231.13725	0.5
233.15527	0.7
243.15816	0.3
245.15515	0.3
249.14871	0.7
257.15375	0.7
257.17590	1.0
267.15915	8.8
269.17477	1.2
273.14636	0.4
273.18582	0.8
275.16446	1.1
275.19980	0.3
275.25845	0.3
287.05515	0.8
301.14554	0.5
301.20059	3.1
309.17438	0.3
315.23105	0.6
325.21652	1.0
343.22690	4.3
349.23788	0.4
351.23230	0.9
353.24661	0.6
353.50995	0.4
361.23898	0.5
369.24341	2.1
371.25598	0.5
381.24554	0.3
387.25296	0.9
389.26797	0.4
405.26529	0.6
407.25858	0.6
417.26428	3.4
425.27069	1.6
435.27417	13.2
436.27646	0.4
443.27905	8.8
449.28622	0.4
457.29440	0.3
461.28992	100.0
462.29388	3.3
475.30435	1.0
493.31662	5.4
494.31693	0.3
503.30154	0.4
514.00299	0.3
545.30420	0.3
587.31940	0.6
589.34045	0.4
603.43866	0.4
605.33466	0.6
637.36261	0.5
668.88483	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
53.56281	1.2
55.01870	15.3
55.05262	2.6
55.05511	29.8
55.38682	1.2
57.03434	23.2
57.07073	2.7
59.04985	2.4
61.02924	3.6
65.03940	3.9
67.05504	47.0
69.03439	11.0
69.07066	13.3
70.06563	1.4
71.04985	6.9
71.60574	1.7
73.02908	5.1
77.22066	1.2
79.05490	39.1
81.03416	100.0
81.07056	37.9
82.04203	2.6
83.04981	25.1
83.08611	26.8
85.02885	10.5
85.06572	1.6
87.04467	2.4
91.05476	46.0
92.05816	1.6
93.07046	34.3
95.04964	41.3
95.08607	16.9
97.02886	12.5
97.06525	11.3
97.10164	16.1
98.07320	3.3
99.04449	5.3
99.08112	1.8
103.05468	1.6
105.03292	1.9
105.07024	32.7
107.04951	21.8
107.08589	23.6
109.02881	4.9
109.06503	9.7
109.10149	24.5
111.04437	11.4
111.08091	12.8
115.05473	2.4
116.04722	9.0
117.05501	3.3
117.06996	6.9
119.04934	7.7
119.08582	24.1
121.02883	5.7
121.06512	8.9
121.10136	15.7
123.04438	4.5
123.08083	4.3
123.11704	3.0
125.05978	2.0
125.09625	16.7
127.03877	5.4
127.11235	1.4
128.06230	2.7
129.05479	20.5
129.06970	15.9
131.04872	2.3
131.08577	14.8
133.06488	3.8
133.10133	15.1
135.04424	4.5
135.08052	4.4
135.11684	16.5
137.05983	4.2
137.09630	4.3
141.07072	1.3
142.07813	2.5
143.05669	5.9
143.07043	5.5
143.08528	3.6
145.02831	2.2
145.06505	4.1
145.10097	12.2
146.59375	1.7
147.04431	7.8
147.08058	6.9
147.11681	14.7
147.77057	1.5
148.04816	2.0
149.05951	2.4
149.09604	9.1
151.07603	2.0
151.11215	2.3
153.12741	24.9
155.08496	1.8
157.08612	11.5
157.10138	17.5
159.08080	3.3
161.05974	1.8
161.09633	5.8
163.11185	21.1
165.12817	3.9
167.07039	8.2
171.10193	4.3
173.09624	5.4
173.11740	4.6
173.13266	3.5
175.03918	7.4
175.07547	1.4
175.11157	14.7
177.05463	6.7
177.12621	1.7
179.10733	1.9
181.12224	14.9
183.11752	4.0
185.13170	2.0
187.11252	1.8
189.11195	12.1
191.10664	10.9
193.12241	35.2
193.13869	3.0
199.13243	3.3
201.12785	3.8
201.14870	2.2
203.14348	1.8
205.12302	2.1
207.06514	17.1
208.06805	2.3
209.11717	9.5
211.13345	8.6
213.12924	1.7
219.13824	4.0
227.12778	36.8
229.12311	3.0
229.14355	13.7
231.13844	3.0
241.12077	1.9
247.13286	21.8
249.14877	5.1
255.15962	1.8
259.13300	2.1
265.14322	2.8
267.15900	80.8
268.16367	1.6
269.11923	2.2
283.15356	19.5
285.16992	2.1
287.05475	14.6
301.16467	32.7
301.19617	2.6
309.16864	2.0
321.16992	6.4
331.08063	2.8
337.21497	1.9
339.17914	3.8
349.20145	2.4
351.23309	1.5
383.22083	5.1
389.79535	1.8
401.23248	1.6
421.25858	2.7
439.27145	2.1
447.27328	2.5
455.15543	2.2
457.25854	1.9
458.26511	2.2
459.27625	3.0
461.29016	7.0
475.26974	14.2
476.27490	3.1
485.27292	1.7
493.18292	1.3
493.19507	1.7
493.27927	30.5
496.03113	1.8
525.30591	5.0
561.04413	1.7
740.42383	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	739.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61063	0.5
52.75348	0.5
52.99626	0.5
61.02916	0.6
68.98558	0.5
69.03415	1.7
70.06588	1.2
70.51024	2.2
71.01340	0.6
71.04990	1.0
73.02946	0.6
75.04491	1.1
77.02554	0.6
78.64563	0.6
81.03418	1.3
83.04988	0.8
84.08134	0.9
85.02916	3.2
87.06689	0.9
91.05489	1.7
95.01098	1.6
97.02926	1.0
97.06583	0.6
98.20851	0.6
103.05489	1.0
105.07033	1.0
109.02877	0.8
111.04324	0.7
113.02139	1.9
119.04964	1.1
121.02905	0.7
123.04438	1.1
127.03916	1.4
131.04942	1.9
133.06464	0.6
135.04387	0.9
137.05980	1.5
142.04796	0.7
143.05643	11.7
144.03986	0.6
144.06111	0.6
145.02834	0.8
147.04430	1.8
149.05981	0.7
151.03955	1.1
151.07591	0.8
163.03867	0.7
163.07654	0.6
167.07019	1.3
169.04723	0.8
175.03938	1.1
177.05516	2.1
179.03366	0.6
185.04445	4.3
185.05806	4.3
189.05321	1.3
193.08609	1.4
201.03679	1.0
201.05396	0.7
203.05263	2.6
203.06863	0.8
206.04488	0.7
207.06555	2.4
215.43916	0.6
219.06358	2.5
225.60931	0.6
234.08611	18.1
234.10919	0.9
235.09357	1.1
237.02878	0.7
263.09677	0.6
287.05405	0.7
295.06180	0.8
299.05594	1.9
349.12531	11.9
383.14716	1.3
527.17810	0.7
593.22015	2.6
739.27863	100.0
740.27948	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	738.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
55.01863	2.5
55.05513	20.1
57.03441	13.0
57.07068	2.2
60.88525	1.8
63.18581	1.9
65.03925	2.7
67.05507	72.9
69.07072	16.5
70.00372	1.8
70.86053	2.8
70.86411	3.4
71.04976	1.8
71.10555	1.5
79.05495	78.3
81.03411	7.2
81.07062	65.9
83.04978	11.9
83.08611	8.7
85.06516	4.5
88.20313	1.8
91.05485	60.4
93.07048	78.9
95.04955	21.1
95.08611	41.5
97.02850	2.1
97.06512	2.5
97.10153	4.0
105.07033	39.8
106.07381	1.8
107.04947	5.8
107.08601	26.3
109.06508	6.2
109.10173	11.5
111.08092	2.7
117.07008	9.9
119.08590	26.5
121.10147	15.8
123.08060	2.3
128.06221	1.9
129.07011	9.6
131.08530	7.2
133.10136	11.2
135.11682	7.9
143.08600	8.7
144.95036	2.5
145.10109	11.4
147.11697	32.4
149.01105	1.8
149.13217	3.4
159.11688	4.3
161.09621	4.4
161.13240	12.5
163.14899	2.1
171.11696	19.2
189.12776	6.8
207.13802	22.5
243.21239	1.8
261.22122	4.5
279.15921	2.5
281.17487	68.8
335.25803	48.9
358.91190	1.8
512.35376	2.0
541.38953	100.0
542.38940	6.6
656.63141	1.8
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
53.03942	7.8
55.01867	15.0
55.05511	29.6
57.03436	11.0
60.73842	1.9
61.02906	3.1
63.62115	1.6
65.03945	4.4
67.05502	77.2
69.03431	20.7
69.06731	2.0
69.07068	24.5
69.49876	4.1
69.50296	9.8
71.01341	2.3
71.04990	31.6
71.49191	1.7
79.05490	49.7
81.03414	41.2
81.07054	100.0
83.04983	17.8
83.08623	16.4
85.02911	10.4
85.06532	7.0
86.09709	2.3
87.04449	1.9
91.05479	55.3
92.05810	2.0
93.07043	47.9
95.01308	2.7
95.04964	16.4
95.08611	29.9
97.02892	16.2
97.06522	16.8
97.10166	7.9
98.00414	1.7
98.21422	3.6
99.04459	7.5
99.08076	2.7
103.03976	1.7
105.07027	51.0
107.04972	17.9
107.08595	33.1
109.02874	10.7
109.06540	9.8
109.10143	22.5
111.04438	7.1
111.08099	4.8
115.05479	1.8
117.06995	17.0
119.04961	2.5
119.08577	29.4
121.06506	5.7
121.10129	15.2
123.04438	1.8
123.08066	7.7
123.11706	13.1
125.09628	7.4
127.03901	6.0
128.06218	4.3
129.05484	4.7
129.06981	6.8
131.08577	23.6
133.06511	2.3
133.10135	26.7
135.08092	9.4
135.11652	9.1
137.09624	6.5
142.07835	1.8
143.08586	8.4
145.06519	3.1
145.10138	16.2
147.08038	5.1
147.11670	20.8
149.09607	16.7
149.13271	9.3
151.11203	7.2
155.08481	4.1
157.10095	7.4
158.22040	1.9
159.08109	2.7
159.11708	18.1
161.09673	5.1
161.13312	5.9
163.11211	7.5
165.09108	2.0
165.12756	8.0
167.08536	2.0
169.10153	3.5
171.08049	2.2
171.11699	8.2
173.04468	14.8
173.09634	3.5
173.11775	3.1
173.13303	4.2
175.11264	6.0
177.12773	5.7
181.10228	2.4
183.11717	4.0
185.13295	4.0
187.11296	3.7
187.13313	5.9
187.14883	2.6
193.12256	4.6
195.13814	4.2
197.13216	2.5
201.14810	2.2
205.15695	1.7
210.16476	1.7
211.13130	2.4
211.14909	2.6
215.14236	2.5
217.15871	2.0
221.56059	1.9
225.14743	2.6
227.12807	7.1
229.14333	4.0
229.19431	2.3
239.18021	2.6
243.16016	3.8
243.42114	1.8
257.19022	5.8
259.20798	2.0
267.15881	8.4
269.17477	4.9
273.18549	5.4
275.20047	42.2
285.17096	4.5
291.19571	7.0
293.21112	5.4
339.17899	2.1
347.22058	4.6
349.23758	19.0
383.21933	2.5
401.22852	2.4
413.21573	1.8
423.27225	3.8
433.30597	2.1
445.24380	5.0
451.31342	1.9
469.33145	1.8
517.35291	28.6
519.36603	2.7
522.04510	2.1
525.35687	4.2
531.36774	3.6
541.35449	2.8
543.36859	26.4
549.37274	2.9
557.36554	2.5
575.38464	6.8
687.40649	6.3
705.41992	5.2
719.42834	6.5
737.33478	17.8
737.45416	5.6
738.35712	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.2
55.01870	14.7
55.05260	3.6
55.05511	43.5
56.96560	2.6
57.03433	21.1
57.07066	5.0
59.05013	4.3
61.02924	22.3
65.03928	5.5
67.05505	96.3
69.03422	23.0
69.07066	30.1
69.49644	7.6
69.50050	12.4
70.06598	4.5
71.01350	4.2
71.04998	28.5
73.02926	8.3
73.06564	2.3
79.05493	65.6
81.03417	40.5
81.07056	100.0
83.04980	16.9
83.08609	21.0
85.02897	25.1
85.06545	8.5
86.09705	3.3
91.03963	11.7
91.05479	74.9
93.07042	70.1
95.04971	23.0
95.08604	55.1
97.02903	33.8
97.06546	15.1
97.10181	18.8
98.20728	3.2
99.04461	5.0
99.08086	5.7
101.02357	3.2
103.05473	3.0
105.07032	65.1
107.04980	15.1
107.08595	45.0
109.02879	9.8
109.06507	14.2
109.10155	27.5
111.04443	7.6
111.08084	6.4
113.05894	2.1
115.05473	6.5
117.07008	29.3
119.04919	3.3
119.08572	52.7
121.06497	10.2
121.10143	29.0
123.04434	3.5
123.08083	10.2
123.11695	9.9
125.09629	15.4
127.03931	11.2
128.06218	5.6
129.05495	4.6
129.07002	21.9
130.07776	4.3
131.08572	41.4
133.06490	5.4
133.10133	35.7
135.08075	13.4
135.11703	13.4
137.09581	5.8
139.11165	2.5
141.06996	11.2
142.07805	4.2
143.08566	26.7
145.06467	4.2
145.10109	35.0
147.08044	7.0
147.11676	18.8
149.09622	14.6
149.13237	7.4
151.11192	6.6
153.12784	2.8
155.08514	15.3
156.09291	3.1
157.10123	22.1
159.08063	6.4
159.11699	24.7
161.09587	8.4
161.13277	7.1
163.11165	8.4
165.12749	6.0
167.08620	5.4
169.10114	17.2
169.12286	2.7
171.11688	19.6
173.04485	6.7
173.09657	6.1
173.11839	4.4
173.13257	15.8
175.11201	7.9
175.14862	3.0
177.09010	2.8
177.12784	4.0
179.10698	3.4
179.14433	2.6
181.10175	8.8
183.11691	11.7
185.09625	4.5
185.13280	10.1
187.11177	3.1
187.13295	4.0
187.14841	6.5
189.11185	8.5
189.12756	4.6
193.10382	2.6
193.12286	8.9
193.50070	2.5
195.11694	10.9
195.13763	4.0
197.13263	8.8
199.11185	3.9
199.14854	6.1
201.12732	2.8
207.11783	4.0
209.13284	11.5
211.13277	8.5
211.14967	4.5
219.17564	3.7
221.13141	3.7
223.14879	4.9
225.14668	2.9
225.16675	3.2
227.12653	11.4
229.14224	3.5
235.14946	4.3
238.52176	2.7
240.38870	2.5
253.14378	3.3
255.20959	2.9
257.19168	4.7
259.20483	4.0
267.16003	6.2
269.17471	4.9
273.18573	11.4
275.20047	18.5
283.20398	3.1
285.22083	5.3
291.19412	21.9
297.21735	3.2
299.23618	5.5
301.21494	4.6
339.23157	3.9
347.22168	4.7
349.23788	7.4
349.92767	3.1
353.24875	4.1
355.26346	2.6
365.23395	9.1
415.29987	5.8
421.25955	4.3
423.27441	5.8
433.30981	18.0
436.28311	2.9
443.27991	4.1
451.31989	16.1
469.33182	3.3
499.33823	5.2
507.34521	8.0
517.35229	27.7
519.36560	7.3
525.35718	66.1
539.37024	2.7
543.36823	90.7
557.38751	20.1
575.39783	29.2
633.37878	3.3
669.40033	2.6
687.40717	6.5
705.41772	4.8
719.40985	8.6
737.33917	5.4
737.45776	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	735.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.0
53.25188	2.5
54.58987	2.8
55.01874	32.5
55.05514	42.6
57.03420	7.9
57.07058	4.1
57.48819	2.8
61.02917	9.1
61.57333	2.5
62.20873	2.9
65.03928	6.7
67.05505	85.8
69.03424	19.5
69.07065	32.3
69.92762	17.2
71.04981	12.1
73.02897	4.8
79.05493	100.0
81.03416	27.3
81.06585	4.9
81.07056	89.4
83.04984	22.9
83.08610	20.7
85.02915	17.9
85.06527	7.1
91.03946	5.5
91.05479	83.7
93.07048	97.7
95.04970	35.3
95.08607	43.8
97.02892	15.2
97.06539	41.8
97.10170	20.6
99.04453	3.6
103.05503	3.4
105.04543	3.1
105.07031	74.4
107.04964	26.1
107.08594	48.0
109.02877	6.2
109.06516	10.3
109.10146	23.2
111.08074	6.8
115.05491	3.8
116.10231	2.6
117.07003	23.6
119.08576	47.3
121.06496	9.3
121.10146	17.7
123.08043	10.7
123.11671	3.6
125.09657	15.0
127.03905	6.8
128.06236	4.4
129.07018	27.1
131.08560	29.6
133.06485	6.4
133.10141	29.2
135.08049	10.2
135.11676	9.9
137.09616	3.0
141.06961	3.9
143.08557	15.7
145.06453	3.8
145.10117	28.1
147.08031	5.7
147.11676	50.4
149.09624	19.3
149.13211	3.3
157.10149	7.7
159.08066	3.7
159.11693	12.2
161.09587	7.5
161.13280	12.2
163.11172	13.0
169.10081	5.6
171.10231	4.2
171.11676	28.8
173.13170	4.2
175.11082	3.4
183.11661	3.7
187.11090	3.6
187.13300	3.3
189.11180	10.4
189.12756	11.7
197.13141	3.6
199.13205	3.0
206.07115	3.0
207.13774	27.5
225.14871	4.0
227.12782	35.7
228.46068	2.8
229.14374	4.2
233.15520	2.9
247.20515	4.7
257.18997	10.8
267.15775	3.0
273.18652	4.2
275.20047	65.8
275.22797	5.6
279.15857	3.5
281.17474	65.3
291.19473	4.6
299.19781	3.8
347.22025	2.9
349.23688	36.5
377.23431	4.4
435.27197	3.5
451.26700	10.5
459.30862	8.4
475.30496	9.2
494.60803	3.4
515.33588	4.9
555.36761	52.5
573.37793	12.0
615.35852	3.5
619.34454	3.5
735.42432	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	735.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.1
55.01877	13.5
55.05511	44.5
56.96570	2.9
57.03429	11.2
57.07070	6.3
61.02903	3.0
65.03923	6.1
67.05504	91.1
69.03422	29.0
69.07071	35.9
71.04995	58.0
71.60347	3.6
73.02913	2.7
79.05061	4.8
79.05492	54.6
81.03417	67.9
81.07060	100.0
83.04977	18.1
83.08624	18.2
85.02885	13.3
85.06520	9.5
87.05682	2.7
87.42935	2.8
91.05485	63.1
93.06485	4.3
93.07042	53.8
95.04955	28.5
95.08614	36.1
97.02899	27.3
97.06522	12.5
97.10168	19.4
99.04449	8.1
99.08135	3.4
105.03392	13.3
105.07026	46.0
107.04956	16.7
107.08595	43.6
109.02879	15.2
109.06505	9.0
109.10155	21.0
111.04433	10.0
111.08118	7.2
115.05415	3.3
117.07033	23.6
119.08576	29.3
121.06494	10.3
121.10142	19.5
123.04475	4.1
123.08064	5.2
123.11703	14.9
125.09611	11.4
127.03904	11.9
129.06990	8.1
131.08571	24.3
133.06462	4.2
133.10141	30.1
135.08035	8.7
135.11674	10.0
136.92805	2.8
137.09619	4.1
141.07066	3.3
143.08549	6.6
145.06465	4.9
145.10117	18.2
147.08043	9.0
147.11674	9.3
149.05959	4.0
149.09694	5.8
149.13232	9.2
151.07477	2.6
151.11206	10.5
157.10139	7.0
159.08099	3.0
159.11668	13.3
161.09627	5.1
163.11188	4.0
165.09038	4.5
165.12759	3.5
169.10149	3.4
169.12289	3.0
171.06685	3.8
171.08044	4.3
171.11690	5.4
173.04520	13.6
175.11139	5.3
177.12717	7.4
183.13802	3.8
185.13210	3.6
187.13310	17.6
189.11209	8.0
193.12234	3.7
195.13777	7.6
199.11266	3.1
201.12721	2.9
201.14839	6.5
223.13260	17.7
227.12810	8.1
228.23145	3.7
229.23506	3.7
241.14406	3.2
255.17516	3.4
257.17520	4.9
259.20459	4.6
273.18506	29.9
279.15964	5.9
291.19534	99.7
328.16824	3.2
339.18201	6.8
347.22247	4.5
365.23328	8.2
394.85809	3.9
395.20587	3.9
445.25629	3.0
513.27924	3.1
515.33429	7.8
533.34601	8.6
541.35480	4.9
547.36121	9.2
559.36078	5.9
591.38751	4.2
685.39783	4.6
703.39502	8.5
717.41296	5.8
735.43542	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.1
55.01865	0.1
55.05503	0.1
56.96544	0.1
57.03421	0.1
64.33827	0.1
65.03910	0.1
67.01865	0.4
67.05511	0.6
68.99784	0.5
69.03429	0.4
69.07053	0.2
70.66127	0.1
70.66528	0.1
71.04974	0.1
72.76365	0.1
79.05487	0.5
81.03418	0.7
81.07057	1.1
83.04985	0.1
83.08632	0.1
85.02906	0.3
89.03934	0.2
91.03941	0.1
91.05485	0.6
93.07047	0.4
95.04972	0.1
95.08605	0.3
97.02882	0.2
97.06529	0.2
99.04440	0.1
99.08094	0.1
105.07025	0.6
107.04937	0.2
107.08594	0.3
109.02888	0.7
109.06512	0.2
109.10130	0.2
111.00816	0.1
111.04436	0.1
116.98602	0.1
117.03382	0.2
117.06960	0.1
119.04919	0.1
119.08592	0.4
121.06451	0.1
121.10128	0.3
123.04397	0.1
123.11699	0.4
124.07578	0.1
125.02383	0.1
125.09681	0.1
127.03911	0.6
128.06136	0.1
129.01822	0.2
131.04944	0.1
131.08614	0.1
133.10149	0.1
135.04422	1.5
135.08067	0.1
135.11703	0.1
137.02362	0.6
137.05960	0.2
142.07716	0.1
143.05666	0.4
145.02824	0.3
145.04944	0.1
145.10101	0.1
147.04393	0.3
147.08052	0.1
147.11691	1.2
149.09697	0.1
151.03876	0.1
151.07506	0.1
153.01828	4.2
157.10115	0.1
158.10616	0.1
159.11711	0.1
161.02348	0.9
161.05986	0.1
163.03902	0.1
163.11150	0.1
165.12772	0.8
167.07045	0.2
171.02888	1.5
175.11331	0.1
177.05478	0.5
179.03419	0.4
183.13855	0.1
185.05989	0.1
189.05489	0.1
193.12247	0.2
203.03349	0.1
203.06903	0.1
207.06474	0.3
213.05496	0.1
219.06517	0.3
229.14299	0.4
231.06483	0.1
241.04919	0.7
245.04500	0.2
259.06018	0.1
263.05490	0.1
267.15909	1.1
269.04428	0.4
271.06149	0.2
285.03766	0.1
285.16965	0.6
287.05496	100.0
288.05814	1.3
288.08575	0.0
322.22311	0.1
329.06604	0.2
337.16422	0.2
355.17572	0.2
361.09280	0.1
393.19028	0.2
411.20050	0.2
429.21225	0.7
449.11002	0.1
511.31851	0.1
516.21429	0.1
523.12347	0.1
641.22632	0.3
667.50159	0.1
679.23608	0.2
715.25836	1.0
729.23480	0.1
733.36603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28888	0.5
52.43035	0.7
53.03959	0.8
55.01859	0.7
55.05509	1.5
57.03431	1.9
61.02931	6.7
65.45673	0.5
67.05502	6.4
69.03431	3.2
69.07063	1.5
71.05013	0.8
71.61037	0.5
71.61411	0.7
73.02903	4.1
79.05480	3.8
81.03420	2.0
81.07048	7.3
83.05000	0.8
83.08629	0.6
85.02901	5.7
91.03913	3.2
91.05470	2.6
93.07031	5.3
95.04996	1.3
95.08602	5.5
97.02888	5.8
97.06530	1.1
99.04453	0.8
100.74361	0.6
101.02406	2.1
105.07021	1.8
107.08611	3.1
109.02901	0.7
109.10153	0.9
119.08585	1.1
121.10179	1.9
124.58453	0.6
127.03931	1.6
131.08585	0.9
133.10138	0.9
135.11743	1.0
136.79028	0.6
145.10156	0.7
149.13271	1.5
159.11809	0.7
185.04326	0.8
214.23912	0.6
235.13141	1.0
243.08488	2.0
335.25943	0.6
413.73938	0.8
453.20840	4.6
486.88449	0.6
519.29211	7.6
731.43390	100.0
732.43658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.05500	0.5
57.03419	0.7
61.02916	0.8
65.03926	0.7
67.05492	1.1
69.03427	7.6
69.07048	1.1
70.06587	0.4
71.01339	0.2
71.04982	0.7
71.61152	0.4
73.02903	0.3
77.03931	0.5
79.05489	0.9
81.03408	1.0
81.07050	3.0
83.04956	0.2
85.02904	1.8
85.06519	0.8
88.23099	0.2
89.03900	0.6
91.05479	11.4
93.07049	1.8
95.04968	1.1
95.08607	2.4
97.02392	0.2
97.02902	1.8
97.06511	0.3
97.10145	0.3
99.04436	0.5
99.08082	0.6
103.05453	0.7
105.03392	0.5
105.07049	1.1
107.04948	0.3
107.08572	1.6
109.02881	1.2
109.06522	0.4
109.10141	1.3
117.03374	0.5
117.06992	0.3
119.04942	23.3
119.08587	0.7
120.05317	0.3
121.10188	1.1
123.04410	0.3
123.11684	0.9
127.03919	4.1
129.03328	0.4
131.04897	0.9
131.08565	0.3
132.02071	0.6
133.02797	0.4
133.06435	0.4
133.10132	0.4
135.04413	0.4
135.11702	0.4
137.02277	0.3
137.05959	1.5
137.13235	0.4
141.01744	0.3
143.05698	1.6
145.02831	1.8
145.04865	0.3
145.06450	0.3
145.10133	0.3
147.04404	23.1
147.11678	0.3
149.02356	0.5
149.06003	0.5
149.09598	0.3
149.13258	0.5
151.03917	0.6
151.07521	0.4
153.05350	0.3
157.03941	1.9
161.06010	0.6
161.09671	0.3
163.03874	0.7
163.14781	0.4
164.04665	0.5
167.07039	3.0
175.03905	52.1
175.14850	0.3
176.04327	0.7
177.05458	3.9
178.05731	0.4
179.07018	1.7
181.04990	0.3
189.09018	0.3
191.06996	0.6
192.04137	0.5
193.08693	0.5
195.17201	0.3
201.16467	0.2
207.06523	100.0
208.06845	0.9
209.07979	0.3
213.18497	1.0
219.06526	0.5
225.07576	0.7
231.06717	0.3
235.06046	0.4
261.07605	0.4
263.09009	0.4
271.06082	0.6
287.05551	0.6
290.09177	0.3
291.08661	0.6
291.26993	0.3
309.27835	0.4
327.12149	0.2
327.28860	0.3
333.91064	0.3
339.10788	0.3
351.10748	7.2
369.11795	59.9
370.12085	1.2
569.14233	0.3
675.21722	0.3
682.83020	0.3
713.32843	0.4
731.34064	4.5
732.34149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05399	0.4
55.05624	0.4
57.03308	0.4
57.03565	0.4
66.53090	0.4
67.05660	0.7
69.03256	0.4
69.03572	0.4
69.07198	0.4
70.63997	0.4
71.60254	0.7
72.65376	0.4
79.05276	0.6
79.05679	0.9
81.03117	0.8
81.03606	0.9
81.07248	1.0
83.08794	0.4
84.25503	0.4
85.03098	0.9
91.04121	0.6
91.05732	1.1
93.07245	0.8
95.05152	0.4
95.08240	0.5
95.08772	0.5
97.03074	0.6
97.06729	0.4
105.07230	0.9
107.08825	0.7
109.03102	0.7
109.06731	0.4
119.05123	0.5
119.08059	0.6
119.08806	0.7
123.11880	0.5
127.04162	0.9
133.10347	0.7
141.32230	0.4
143.05957	0.7
145.03137	0.4
147.11909	0.6
159.11940	0.4
167.07303	0.7
177.05864	1.2
178.10573	0.4
185.04546	0.9
201.03957	0.5
203.05688	1.6
207.06995	1.3
259.08380	2.2
271.06046	2.3
272.06815	1.7
273.06824	0.9
321.17197	1.7
347.09567	3.3
363.09442	1.4
365.10638	3.0
421.12915	2.4
453.21384	1.0
471.22574	1.2
483.22021	26.7
493.15817	1.1
551.28735	0.9
569.29358	1.1
615.26166	2.0
616.27185	0.5
617.27863	0.4
619.25714	0.6
623.28650	0.5
633.26959	3.8
641.29822	0.6
643.29108	0.5
645.27283	100.0
646.27112	1.8
713.20978	0.7
713.33539	10.5
731.35028	19.1
732.35968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81614	0.2
53.03940	0.3
53.63261	0.2
55.01854	0.4
55.05515	0.6
56.96552	0.3
57.03437	0.4
60.35991	0.2
61.02930	0.7
61.64941	0.2
67.05499	1.5
68.99774	0.3
69.03141	0.2
69.03435	1.8
69.07072	0.7
71.05003	0.4
71.60906	0.3
73.02914	0.5
79.05500	1.2
81.03403	2.0
81.07053	2.0
83.05012	0.4
83.08625	0.3
85.02909	1.8
85.06525	0.3
91.03947	0.4
91.05476	2.2
93.07050	1.2
95.04985	1.1
95.08620	0.8
97.02905	1.5
97.06534	0.5
99.04475	0.4
103.05479	0.3
105.01884	0.2
105.07040	1.7
107.04958	0.4
107.08617	1.0
109.02893	1.2
109.06555	0.6
109.10168	1.0
111.04471	0.5
115.05452	0.4
117.03387	0.5
119.04949	1.6
119.08591	0.9
121.10138	0.8
123.04459	0.3
123.11649	0.3
127.03922	1.3
129.01851	0.2
129.07016	0.3
131.04973	0.3
131.08537	0.4
133.10173	0.9
135.04504	0.4
135.08089	0.4
135.11711	0.6
137.05981	1.8
143.05682	1.2
145.02829	1.9
145.04887	0.3
145.10118	0.5
147.04407	1.3
147.08052	0.4
147.11691	0.6
149.06001	0.8
151.04005	0.4
151.07498	0.4
151.11113	0.3
157.10161	0.5
159.11818	0.3
161.05965	0.4
163.03955	0.5
163.07626	0.3
167.07047	2.2
173.09697	0.3
175.03899	2.3
175.05029	0.2
177.05466	4.4
185.04245	0.6
187.07698	0.3
203.05269	2.1
203.07004	0.4
207.06551	5.0
207.08382	0.4
223.15012	0.3
243.08258	0.3
253.12794	0.3
255.11377	0.4
257.04370	0.3
259.07910	2.7
267.16147	0.3
271.06009	2.1
285.07465	0.4
287.05554	1.9
289.08923	0.3
295.15030	0.4
331.10095	0.5
347.09564	1.2
365.10583	2.7
369.11810	0.9
407.24097	2.0
413.17950	0.3
421.13068	1.6
429.29950	0.4
447.30917	0.3
457.20465	4.0
471.21918	4.9
487.21542	0.8
493.15268	0.4
501.23233	0.5
569.29358	13.6
570.30475	0.3
619.25433	1.2
633.27594	1.3
641.31116	0.7
713.34357	0.4
731.34698	100.0
732.35101	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	731.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
56.96548	0.4
57.03423	0.5
60.30573	0.3
61.02929	0.7
67.05506	1.7
67.80359	0.3
69.03439	1.7
69.07069	0.5
69.42796	0.7
69.43229	2.1
70.06586	0.6
70.10871	0.3
71.05002	0.4
73.02911	0.5
79.05481	1.1
81.03413	1.9
81.07052	1.5
83.04991	0.6
83.08627	0.7
84.04532	0.3
84.52723	0.3
85.02903	2.3
89.03902	0.5
91.03966	0.3
91.05478	2.1
93.07056	1.4
95.04987	1.1
95.08616	1.1
97.02900	1.6
97.06510	0.5
97.10223	0.4
99.04446	0.5
99.80617	0.3
105.07040	1.5
107.04945	0.5
107.08568	0.7
109.02897	1.4
109.06535	0.4
109.10146	0.8
115.05465	0.3
117.03400	0.6
117.07017	0.3
119.04973	1.6
119.08606	0.6
121.06509	0.4
121.10123	0.5
123.04438	0.5
123.08054	0.3
123.11692	0.3
127.03922	1.4
128.04294	0.3
129.01772	0.3
131.08630	0.6
133.10136	1.1
135.11682	0.3
137.02281	0.3
137.05992	1.6
143.05664	1.6
145.02829	2.0
145.10133	0.6
147.03183	0.2
147.04401	1.4
147.11707	0.8
149.05974	0.5
149.09564	0.4
151.03886	0.6
157.10124	0.3
159.11719	0.5
161.06012	0.4
163.03986	0.3
167.07056	2.0
175.03912	3.0
175.11375	0.3
177.05472	4.3
185.04274	0.8
201.03835	0.4
203.05315	2.0
207.06529	3.9
221.04459	0.4
257.04572	0.4
259.07907	2.2
265.14435	0.3
271.05975	1.9
271.14084	0.3
283.15259	0.6
287.05576	1.6
293.77304	0.3
331.09985	0.4
333.20551	0.3
347.09525	1.6
365.10495	3.5
369.12021	1.3
407.24106	2.4
421.13019	1.4
457.20505	4.5
469.20242	0.3
471.21970	5.8
487.21417	0.8
493.15393	0.5
501.23343	0.4
503.23749	0.3
569.29321	16.0
619.25891	1.0
633.27380	1.6
641.31531	0.8
649.26385	0.4
713.34045	0.5
731.34644	100.0
732.34772	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
55.01848	1.0
55.05492	1.3
57.03416	0.5
57.95285	0.4
61.02927	0.6
65.03932	1.3
67.05507	2.7
69.03080	0.6
69.03428	8.8
69.07064	2.3
70.06568	1.4
71.04967	1.0
71.61321	0.5
77.03963	0.5
79.05493	2.0
81.03403	1.6
81.07055	6.3
83.04987	0.8
83.08613	0.6
85.02909	2.4
85.06513	0.5
86.09721	0.5
87.06718	0.8
89.03906	0.8
91.05479	13.3
93.07054	3.2
95.04962	1.9
95.08615	2.2
97.02896	2.5
97.06548	0.6
99.04459	0.7
99.08096	0.7
103.05466	1.2
105.01784	0.4
105.07024	2.1
107.04942	1.0
107.08606	2.2
109.02874	2.1
109.06508	1.0
109.10122	1.8
110.07236	0.4
111.04411	0.5
117.03365	1.2
117.07000	0.8
119.04948	26.7
119.08562	1.4
120.05276	0.6
121.06493	1.0
121.10137	1.6
122.05978	0.4
123.04427	0.9
123.08052	0.5
123.11753	0.5
125.06004	0.4
125.09579	0.5
127.03909	4.5
129.07022	0.5
131.04924	1.4
131.08568	0.8
132.02066	0.6
133.06499	0.6
133.10120	1.1
135.04370	1.1
135.11685	1.3
137.06000	4.4
137.09647	0.5
142.08614	0.5
143.05650	14.6
145.02823	3.2
145.04956	0.5
145.10117	0.9
147.04408	23.0
147.11682	1.1
148.04755	0.8
148.92337	0.5
149.02316	0.5
149.05957	1.1
149.09616	0.6
149.13214	0.9
151.03909	1.3
151.07536	1.1
153.05557	0.4
157.03986	1.8
157.10110	0.6
159.11702	1.0
161.06032	1.2
161.13374	0.5
163.03938	1.1
163.07500	1.0
164.04599	0.4
167.07034	7.9
168.07385	0.5
171.11688	0.7
175.03906	49.1
176.04286	0.8
177.05486	5.1
178.05888	0.4
179.07104	2.3
181.04967	0.7
189.09216	0.6
191.07037	0.8
191.10558	0.5
192.04277	0.8
193.08563	0.9
204.21848	0.4
207.06529	100.0
208.06836	1.2
209.08002	0.9
225.07542	0.9
261.07736	0.5
271.05978	2.1
287.05499	5.5
288.05826	0.7
291.08633	0.9
329.11050	0.5
351.10687	8.4
369.11801	59.0
370.12036	1.2
469.20920	0.6
549.20074	0.5
729.34174	7.1
729.51129	2.5
730.31952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.05525	0.9
56.96579	0.5
57.03447	1.8
59.19307	0.3
61.02934	3.7
67.05515	2.6
67.36144	0.4
69.03441	2.3
69.07076	1.1
70.42911	0.7
71.05005	1.3
73.02936	2.8
79.05505	3.2
83.04993	0.8
83.08627	1.4
85.02908	5.1
85.06564	0.5
91.03961	2.8
91.05486	3.8
93.07053	2.5
95.04973	2.2
95.08613	1.4
97.02885	3.4
97.06538	0.9
99.04469	0.7
101.02404	1.8
103.03989	0.5
105.07047	2.4
107.04956	1.0
107.08607	1.3
109.02895	1.4
109.06524	0.9
109.10155	0.5
111.04423	0.4
111.08106	0.9
115.03912	0.4
117.03440	0.3
119.04960	0.4
119.08595	1.9
121.10132	1.8
123.08118	0.6
123.11739	0.6
127.03928	1.5
129.07010	0.8
131.08578	1.8
133.10168	1.7
137.06026	0.9
139.11153	0.4
143.05634	2.0
145.02950	0.4
147.08109	0.4
147.11700	1.8
149.09666	1.6
157.10178	1.3
167.07094	1.2
175.03943	0.6
175.11243	1.4
177.05553	1.5
185.04317	0.5
193.12257	2.0
207.06573	1.0
211.13361	0.8
243.08528	2.7
251.12627	1.1
267.16031	0.9
276.08835	0.4
283.15170	3.4
287.05484	1.3
293.13345	0.4
307.15250	0.5
325.12314	0.5
326.72546	0.4
339.17868	1.1
374.15900	0.9
396.66937	0.4
469.20468	10.1
501.23151	9.8
535.21667	0.4
729.36682	100.0
730.37207	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.2
57.03434	0.8
65.03935	0.6
67.05521	2.8
69.03414	1.7
69.07079	0.8
71.04994	0.6
71.60887	0.9
73.02926	1.0
79.05493	1.7
81.07055	2.7
83.04958	0.7
83.08614	1.0
83.99605	0.6
85.02906	2.2
87.81421	0.5
91.03953	0.6
91.05463	3.6
93.07041	1.9
95.04965	1.1
95.08600	1.4
97.02877	1.5
97.06557	0.7
99.04473	1.0
103.05500	0.8
105.07030	1.3
107.04988	0.6
107.08607	1.2
109.02869	0.6
109.06472	0.7
109.10154	1.1
117.07021	0.5
119.05016	0.7
119.08596	1.0
121.06496	1.1
121.10136	1.3
123.04364	0.5
127.03894	1.3
131.08527	0.7
133.10165	1.0
137.05960	0.9
143.05644	2.3
145.10112	0.7
147.04436	0.8
151.07524	0.6
167.07060	1.1
171.54660	0.5
172.46619	0.6
175.03902	0.9
177.05479	1.3
185.04279	1.4
201.03844	0.9
203.05313	2.0
207.06566	2.3
259.07870	3.0
269.28577	0.6
275.07510	0.7
287.05527	1.0
300.35864	0.6
319.09882	0.9
331.09863	2.5
347.09406	2.6
349.18420	0.5
363.09021	1.0
365.10559	4.7
373.14972	0.7
387.21564	1.5
405.22089	1.6
421.13071	2.6
455.18829	2.2
469.20493	7.7
487.17966	0.6
493.15097	4.2
539.28162	1.2
549.26965	7.2
567.27606	5.6
608.10895	0.6
617.24121	1.3
631.25854	4.8
711.31964	13.7
729.33093	100.0
730.33521	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	728.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57823	1.8
55.01867	3.8
55.05519	8.5
57.03424	5.2
58.57939	1.7
61.02919	1.9
65.03945	1.8
67.05503	37.7
69.03426	3.6
69.07065	9.2
71.04976	3.8
71.60860	3.1
76.46697	1.7
79.05484	19.6
81.03419	3.0
81.07056	37.4
83.04984	6.2
83.08635	3.0
85.06575	4.5
91.05483	25.2
93.07048	25.0
95.04951	3.4
95.08610	14.9
97.06535	3.6
97.10174	2.4
99.04458	2.3
105.07028	25.2
107.08593	28.3
109.06503	3.3
109.10155	37.3
117.07077	3.3
119.08574	3.9
121.10155	8.0
123.11729	7.7
133.10133	49.8
133.11087	3.7
135.11682	5.1
139.11127	1.6
145.10146	2.3
147.11711	2.4
149.13274	4.2
151.11189	22.6
159.11734	2.3
169.12299	3.9
215.12773	1.9
243.21106	3.9
253.14349	100.0
258.99719	1.9
261.22101	13.1
271.15393	37.1
317.24661	2.8
335.25763	32.5
335.29459	3.1
457.32825	3.4
513.35742	8.2
531.36780	41.7
536.14728	2.0
581.60303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
53.69268	0.2
55.05514	0.6
56.96545	0.3
57.00611	0.2
57.03425	0.4
61.02929	0.3
67.05502	1.0
69.03427	1.2
69.07069	0.6
70.10513	1.3
71.04994	0.3
73.02898	0.3
79.05489	0.9
81.07056	1.3
83.01098	0.4
83.04985	0.4
85.02907	1.2
91.03915	0.3
91.05481	1.2
93.07049	1.0
95.04971	1.1
95.08616	0.7
97.02873	1.0
97.10175	0.5
100.36714	0.3
105.07038	0.6
105.15973	0.3
107.04948	0.4
107.08580	0.8
109.02895	0.5
109.06499	0.3
109.10164	0.6
111.04404	0.4
117.03345	0.3
119.08575	0.4
121.06542	0.3
121.10168	0.6
127.03925	0.7
129.06979	0.3
131.08580	0.6
133.10179	0.5
137.05977	0.8
143.05655	2.0
144.48259	0.3
145.02817	0.4
145.10106	0.4
147.04404	0.5
149.01294	0.3
149.05898	0.3
149.13211	0.3
151.07608	0.3
161.02962	0.3
161.05988	0.4
163.11238	0.4
167.07083	0.8
175.03958	0.6
177.05499	1.0
185.04199	1.4
201.03760	0.7
203.05325	2.4
207.06549	1.0
209.15326	0.3
259.07944	3.1
270.51459	0.3
275.07309	0.3
277.07758	0.3
287.05481	0.9
331.10147	1.0
331.18701	0.7
347.09561	1.7
363.09006	0.6
365.10678	2.9
374.15613	0.4
387.16138	0.4
392.86151	0.3
405.22388	2.8
421.13153	1.6
445.09589	0.4
469.20261	1.1
485.19574	0.7
493.15378	1.1
531.56177	0.3
531.64478	0.3
539.28571	0.4
549.21643	0.4
563.22516	0.4
567.27765	14.4
568.28210	0.5
692.16547	0.3
711.33466	0.3
729.33063	100.0
730.33295	3.2
735.49518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57823	1.8
55.01867	3.8
55.05519	8.5
57.03424	5.2
58.57939	1.7
61.02919	1.9
65.03945	1.8
67.05503	37.7
69.03426	3.6
69.07065	9.2
71.04976	3.8
71.60860	3.1
76.46697	1.7
79.05484	19.6
81.03419	3.0
81.07056	37.4
83.04984	6.2
83.08635	3.0
85.06575	4.5
91.05483	25.2
93.07048	25.0
95.04951	3.4
95.08610	14.9
97.06535	3.6
97.10174	2.4
99.04458	2.3
105.07028	25.2
107.08593	28.3
109.06503	3.3
109.10155	37.3
117.07077	3.3
119.08574	3.9
121.10155	8.0
123.11729	7.7
133.10133	49.8
133.11087	3.7
135.11682	5.1
139.11127	1.6
145.10146	2.3
147.11711	2.4
149.13274	4.2
151.11189	22.6
159.11734	2.3
169.12299	3.9
215.12773	1.9
243.21106	3.9
253.14349	100.0
258.99719	1.9
261.22101	13.1
271.15393	37.1
317.24661	2.8
335.25763	32.5
335.29459	3.1
457.32825	3.4
513.35742	8.2
531.36780	41.7
536.14728	2.0
581.60303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2077
Annotation	Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
52.18738	0.1
55.05501	0.1
57.03433	0.8
61.02906	0.1
67.01861	0.3
67.05511	0.1
68.99776	0.3
69.03426	0.4
70.06577	0.1
70.86143	0.2
70.86523	0.1
71.01351	0.1
71.04990	2.3
73.02913	1.0
73.59706	0.1
75.04452	0.2
79.05476	0.1
81.03418	0.2
83.04977	0.3
85.02900	3.4
86.09688	0.1
87.04450	0.1
89.03900	0.1
89.06004	0.1
91.05457	0.1
96.37258	0.1
97.02895	0.5
98.97507	0.1
104.94225	0.1
107.04953	0.1
109.02839	0.1
111.04446	0.3
115.03903	0.2
117.03378	0.1
119.04971	0.1
121.02876	0.1
127.03915	0.2
129.01828	0.1
129.05469	0.9
135.04404	1.3
137.02330	0.5
137.05986	0.1
143.05704	0.3
143.06638	0.1
145.02812	0.1
147.04393	0.2
147.06543	0.3
151.03773	0.1
153.01820	3.4
161.02330	0.4
161.05989	0.1
167.07010	0.1
171.02895	0.8
171.04289	0.1
175.03897	0.1
177.05457	0.2
179.03375	0.2
185.05901	0.1
201.05396	0.1
203.03439	0.1
207.06500	0.3
209.15585	0.1
213.05537	0.1
219.06503	0.1
225.07457	0.1
231.06528	0.1
241.04953	0.4
245.04475	0.2
252.97395	0.1
259.06015	0.1
263.05487	0.1
269.04453	0.2
270.05157	0.1
271.05878	0.2
283.06030	0.2
284.06454	0.2
285.06757	0.2
286.04654	0.1
287.05478	100.0
288.05811	1.9
299.05643	0.1
311.08362	0.1
313.07101	0.2
314.07422	0.1
315.07730	0.1
329.06491	0.1
337.07178	0.1
338.07504	0.1
353.06396	0.1
369.12021	0.1
379.07959	0.1
383.07596	0.1
397.09460	0.1
415.10486	0.1
417.10754	0.1
433.11261	0.2
434.11838	0.1
435.11880	0.2
449.10794	1.4
552.71729	0.1
581.14990	1.1
595.16602	2.8
596.16949	0.1
702.88458	0.1
727.27307	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	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05515	14.5
57.03446	8.0
57.07076	2.4
61.02920	4.9
65.03918	2.2
67.05510	55.1
69.07076	15.2
69.10421	1.2
70.85671	1.5
70.85986	2.4
71.04984	3.5
71.08675	1.4
79.05066	2.4
79.05494	30.3
81.07058	62.2
83.04981	2.7
83.08627	10.4
85.02919	4.6
85.06545	1.6
91.03899	1.1
91.05483	19.6
93.07047	38.9
95.04958	4.1
95.07990	1.4
95.08607	28.8
97.02885	2.0
97.06539	5.3
97.10175	1.2
105.07022	11.0
107.08598	21.6
109.06507	2.2
109.10142	10.3
111.08068	1.9
117.07014	6.4
119.08566	8.2
121.10135	13.6
123.11726	5.5
131.08592	8.3
133.10141	8.9
135.11688	12.2
145.10112	2.6
147.11717	3.0
149.13231	11.9
151.11200	1.3
159.11720	8.1
161.13309	1.6
173.13286	2.8
177.12845	2.4
187.14883	1.8
195.13770	9.0
243.20950	2.2
261.22083	7.8
269.17502	57.1
270.17783	1.5
317.24573	2.5
335.25803	100.0
336.26193	1.8
343.51443	1.4
403.51474	1.3
437.34286	1.5
529.38910	97.3
530.39502	2.9
547.39276	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59215	0.6
53.03938	1.9
55.01862	1.6
55.05506	13.4
57.03433	11.4
57.07068	2.5
58.56964	0.9
61.02909	2.6
65.03912	2.6
67.05501	53.2
69.03415	1.6
69.07063	14.4
71.04977	2.5
73.02918	1.2
79.05487	36.8
81.03398	1.9
81.07052	56.3
83.04971	3.3
83.08607	8.5
85.02885	2.1
85.06522	2.1
86.66505	0.7
91.05473	19.6
93.07036	49.0
95.04952	5.5
95.08601	30.7
95.09126	0.8
97.02872	2.1
97.06522	5.8
97.10159	1.6
98.21506	1.6
99.08084	2.4
100.95129	0.8
105.07018	11.1
105.58572	0.8
107.08589	25.2
109.06505	1.8
109.10144	10.3
111.08105	4.1
113.09666	0.9
114.55296	0.7
117.07050	5.2
119.08572	7.8
121.09325	1.1
121.10139	17.8
123.08059	1.0
123.11698	3.5
131.08543	9.3
131.11377	0.7
133.10123	8.9
135.11676	8.8
137.09592	1.0
137.13254	1.1
145.10117	4.5
147.11655	4.0
149.13243	18.4
159.11707	8.8
161.13243	2.7
163.14799	1.8
173.13234	2.6
175.14745	0.9
177.12724	4.0
177.16348	1.0
187.14746	1.3
195.13792	7.1
243.21010	2.4
261.22095	7.9
267.15915	1.5
269.17459	47.9
270.17731	1.6
317.24860	2.3
335.25769	58.8
336.26224	2.0
390.40121	0.8
437.34137	1.5
455.35202	0.9
519.53027	0.8
529.38855	100.0
530.39008	5.7
547.39838	1.1
628.73773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01878	8.5
55.05267	2.3
55.05515	29.5
57.03441	28.1
57.07074	3.3
61.02932	36.7
65.03942	3.6
67.05508	82.2
67.82042	1.6
69.03436	20.5
69.07070	35.2
69.87770	7.8
71.01372	1.8
71.04979	7.9
73.02915	15.2
73.06586	1.5
75.04477	1.5
76.83861	1.5
79.05496	78.5
81.03424	24.5
81.07059	93.8
82.07406	1.8
83.04987	15.7
83.08618	15.6
85.02910	46.6
85.06538	5.9
87.38799	1.7
91.03955	29.1
91.04901	2.9
91.05482	76.4
93.07046	100.0
95.04960	18.3
95.08611	46.3
95.09172	3.3
97.02898	32.0
97.06540	18.4
97.10179	5.7
98.21405	2.5
99.04454	4.5
99.08098	4.8
103.03975	3.3
103.05478	2.3
105.07034	58.8
107.04982	9.2
107.08597	56.9
109.02884	6.1
109.06520	7.1
109.10152	17.4
111.04438	2.9
111.08059	9.0
115.05503	4.2
117.07008	21.9
119.08587	45.2
121.06498	7.0
121.10148	36.2
123.08063	5.4
123.11703	4.9
125.09633	4.6
127.03921	16.8
128.06252	2.5
129.05516	3.1
129.07008	14.1
131.08580	32.3
133.06499	2.5
133.10132	45.7
135.08054	7.0
135.11697	30.3
137.09625	4.5
139.11169	3.3
141.06990	2.4
142.07770	2.1
143.05710	1.6
143.08548	9.9
145.04984	13.2
145.06116	2.2
145.10121	20.4
147.11691	34.3
149.05914	1.7
149.09636	12.2
149.13268	30.0
151.11197	2.5
155.08488	2.1
157.10167	9.0
159.11681	26.8
161.09624	4.0
161.13289	20.0
163.05975	12.7
163.11156	8.7
163.14801	3.3
165.12685	2.4
171.11719	12.2
173.04495	2.2
173.09579	2.0
173.13286	9.9
175.11185	4.5
175.14841	7.5
177.05457	2.8
177.12746	13.2
179.14337	4.4
183.11629	2.6
185.13252	8.0
187.14842	3.4
190.21555	1.9
191.14381	4.1
193.12239	2.7
195.13811	9.6
199.14896	5.0
201.12778	2.3
207.06514	2.7
207.13731	2.1
209.15384	1.9
213.16484	3.0
217.15901	3.6
219.13818	3.4
227.12836	2.2
229.14323	3.0
231.21072	3.3
235.52989	1.5
239.17938	4.7
241.19525	16.3
251.16327	2.2
252.95622	1.8
257.03125	1.9
257.19031	5.5
259.20602	43.5
267.15964	3.9
269.17496	84.9
275.20065	20.2
277.21634	5.4
281.17392	3.5
285.10275	1.9
293.21066	1.7
333.24298	7.1
335.18677	2.0
349.23810	24.2
351.25314	83.1
413.21567	2.2
441.26218	2.8
459.27219	2.6
461.29114	4.4
477.28241	3.3
495.29666	6.4
511.32654	2.9
523.57593	1.7
559.44720	1.8
576.31549	2.0
701.99084	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	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01875	7.1
55.05512	16.1
57.03434	17.1
57.03696	1.3
57.07063	1.4
59.05008	1.2
61.02929	12.9
65.03951	1.7
67.05508	53.7
68.05832	1.2
69.03429	12.7
69.06715	1.9
69.07069	21.1
71.01362	1.8
71.05005	7.3
73.02915	4.9
76.69955	1.1
79.05496	34.6
81.03426	23.9
81.07059	62.3
82.03725	2.3
83.04983	9.2
83.08619	17.8
85.02901	20.0
85.06548	4.6
87.43162	1.1
91.03951	8.6
91.04900	1.3
91.05057	0.7
91.05481	31.8
93.07047	47.8
95.04963	12.0
95.08605	22.3
97.02905	11.9
97.06541	16.6
97.10169	6.7
99.04457	4.0
99.08086	3.1
103.03957	2.4
105.07040	27.0
107.04939	7.7
107.08596	29.6
109.02908	3.3
109.06526	7.3
109.10166	12.6
111.04450	1.8
111.08071	7.8
113.05982	1.8
115.05449	1.7
117.07012	12.5
119.04936	3.1
119.08582	19.8
121.06522	5.7
121.10153	14.6
122.10539	1.5
123.04414	2.2
123.08087	5.0
123.11715	4.7
125.09612	5.8
127.03912	7.7
128.06210	1.3
129.05505	1.6
129.07007	4.6
131.04974	1.7
131.08583	17.9
133.06480	1.4
133.10141	24.8
135.08070	4.2
135.11685	19.2
137.05969	4.7
137.09648	4.0
141.06911	1.9
143.05632	1.7
143.08577	4.5
145.02840	2.4
145.04953	4.6
145.06509	2.0
145.10135	13.1
147.04417	4.2
147.08051	2.7
147.11703	10.5
148.11974	1.0
149.09616	9.8
149.13264	13.7
151.03828	1.3
151.07523	1.9
151.11211	3.3
153.09169	1.4
155.08563	1.9
157.10141	6.3
159.08159	1.4
159.11710	22.9
161.09621	1.9
161.13280	4.9
162.44017	1.1
163.06081	3.5
163.11165	6.9
165.12814	1.7
167.07025	5.0
169.10152	2.7
171.10272	1.4
171.11697	2.8
173.04564	2.3
173.13316	3.7
175.03943	2.5
175.11095	2.3
177.05501	5.0
177.12767	21.7
179.14325	7.4
181.12288	4.2
183.11725	1.9
184.07310	1.8
187.11031	1.5
189.11203	2.5
191.14244	1.5
193.08499	1.3
193.12221	5.9
195.13806	4.9
197.13199	2.0
201.12781	1.7
205.12314	1.2
207.06522	5.7
211.13234	2.3
214.07138	1.2
215.14590	1.1
227.12796	2.8
229.14453	5.2
229.19591	2.0
233.15388	1.9
239.17967	2.8
243.15945	2.7
245.13803	1.4
247.20630	2.3
251.16435	7.0
255.13272	2.7
255.15932	44.1
257.19110	6.8
267.15930	10.2
268.16287	5.2
269.17487	100.0
271.06097	2.2
275.20065	21.3
283.15594	2.1
285.17160	2.9
286.17395	1.3
287.05466	1.8
293.17627	1.3
293.20871	2.2
309.20511	2.1
349.23740	53.2
367.24820	24.7
387.24338	1.5
389.18283	1.5
391.24872	1.8
395.20343	1.2
413.21704	4.5
435.26974	2.3
459.27295	2.3
460.27744	3.8
461.28552	10.6
476.72656	1.3
478.28769	2.1
479.29327	4.8
493.27722	3.3
511.28622	8.1
638.38007	1.2
659.61285	1.4
726.43054	1.8
749.71393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01875	7.1
55.05512	16.1
57.03434	17.1
57.03696	1.3
57.07063	1.4
59.05008	1.2
61.02929	12.9
65.03951	1.7
67.05508	53.7
68.05832	1.2
69.03429	12.7
69.06715	1.9
69.07069	21.1
71.01362	1.8
71.05005	7.3
73.02915	4.9
76.69955	1.1
79.05496	34.6
81.03426	23.9
81.07059	62.3
82.03725	2.3
83.04983	9.2
83.08619	17.8
85.02901	20.0
85.06548	4.6
87.43162	1.1
91.03951	8.6
91.04900	1.3
91.05057	0.7
91.05481	31.8
93.07047	47.8
95.04963	12.0
95.08605	22.3
97.02905	11.9
97.06541	16.6
97.10169	6.7
99.04457	4.0
99.08086	3.1
103.03957	2.4
105.07040	27.0
107.04939	7.7
107.08596	29.6
109.02908	3.3
109.06526	7.3
109.10166	12.6
111.04450	1.8
111.08071	7.8
113.05982	1.8
115.05449	1.7
117.07012	12.5
119.04936	3.1
119.08582	19.8
121.06522	5.7
121.10153	14.6
122.10539	1.5
123.04414	2.2
123.08087	5.0
123.11715	4.7
125.09612	5.8
127.03912	7.7
128.06210	1.3
129.05505	1.6
129.07007	4.6
131.04974	1.7
131.08583	17.9
133.06480	1.4
133.10141	24.8
135.08070	4.2
135.11685	19.2
137.05969	4.7
137.09648	4.0
141.06911	1.9
143.05632	1.7
143.08577	4.5
145.02840	2.4
145.04953	4.6
145.06509	2.0
145.10135	13.1
147.04417	4.2
147.08051	2.7
147.11703	10.5
148.11974	1.0
149.09616	9.8
149.13264	13.7
151.03828	1.3
151.07523	1.9
151.11211	3.3
153.09169	1.4
155.08563	1.9
157.10141	6.3
159.08159	1.4
159.11710	22.9
161.09621	1.9
161.13280	4.9
162.44017	1.1
163.06081	3.5
163.11165	6.9
165.12814	1.7
167.07025	5.0
169.10152	2.7
171.10272	1.4
171.11697	2.8
173.04564	2.3
173.13316	3.7
175.03943	2.5
175.11095	2.3
177.05501	5.0
177.12767	21.7
179.14325	7.4
181.12288	4.2
183.11725	1.9
184.07310	1.8
187.11031	1.5
189.11203	2.5
191.14244	1.5
193.08499	1.3
193.12221	5.9
195.13806	4.9
197.13199	2.0
201.12781	1.7
205.12314	1.2
207.06522	5.7
211.13234	2.3
214.07138	1.2
215.14590	1.1
227.12796	2.8
229.14453	5.2
229.19591	2.0
233.15388	1.9
239.17967	2.8
243.15945	2.7
245.13803	1.4
247.20630	2.3
251.16435	7.0
255.13272	2.7
255.15932	44.1
257.19110	6.8
267.15930	10.2
268.16287	5.2
269.17487	100.0
271.06097	2.2
275.20065	21.3
283.15594	2.1
285.17160	2.9
286.17395	1.3
287.05466	1.8
293.17627	1.3
293.20871	2.2
309.20511	2.1
349.23740	53.2
367.24820	24.7
387.24338	1.5
389.18283	1.5
391.24872	1.8
395.20343	1.2
413.21704	4.5
435.26974	2.3
459.27295	2.3
460.27744	3.8
461.28552	10.6
476.72656	1.3
478.28769	2.1
479.29327	4.8
493.27722	3.3
511.28622	8.1
638.38007	1.2
659.61285	1.4
726.43054	1.8
749.71393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.228
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
55.05490	0.2
57.03438	0.7
67.01862	0.3
68.99791	0.3
69.03416	0.3
70.06585	0.3
71.04995	3.0
71.60824	0.2
73.02919	0.2
75.04431	0.1
81.03416	0.2
81.07057	0.2
83.04975	0.3
84.08158	0.2
85.02906	4.3
87.04435	0.1
91.05484	0.3
95.04968	0.1
97.02896	0.2
109.02855	0.2
109.06443	0.1
111.04446	0.4
115.81329	0.1
119.04958	1.3
121.02860	0.5
121.10150	0.1
127.03912	0.3
129.05473	1.2
131.04869	0.2
133.10080	0.1
135.04454	0.3
137.06023	0.3
140.07040	0.2
143.05684	0.8
145.02841	1.1
147.04440	0.2
147.06485	0.3
151.32616	0.1
153.01831	3.4
161.06015	0.1
163.03911	2.3
163.06021	0.1
167.06996	0.3
171.02875	0.7
175.03880	0.2
177.05472	0.4
181.05032	0.2
183.39885	0.1
187.03973	0.1
188.35139	0.1
191.14299	0.1
201.16953	0.1
202.57823	0.1
203.07069	0.2
207.06479	0.4
225.05434	0.3
229.04988	0.3
243.06361	0.2
247.06071	0.2
267.10895	0.1
271.06012	100.0
272.06345	2.3
274.94717	0.1
283.05869	0.2
291.02185	0.1
313.07172	0.4
369.11694	0.1
381.09619	0.2
399.10934	0.2
409.85928	0.1
417.11841	1.2
431.13684	0.1
433.11407	1.2
579.17059	4.2
580.17175	0.2
615.37933	0.1
725.26154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2283
Annotation	Apigenin 7-rhamnoside-4'-rutinoside
Peak:m/z	Relative Intensity
51.93254	0.0
53.03937	0.1
55.05505	0.1
56.35183	0.0
57.03438	0.7
59.04989	0.0
61.02926	0.0
61.56049	0.0
67.01855	0.3
68.99759	0.2
69.03421	0.1
69.83095	0.2
69.84740	0.0
71.01359	0.1
71.04990	4.3
72.26045	0.0
73.02911	0.1
75.04478	0.2
81.03430	0.1
83.04979	0.4
85.02900	5.2
87.04457	0.1
91.05466	0.2
97.02873	0.1
99.04436	0.1
109.02820	0.0
111.04441	0.3
111.72889	0.0
117.05487	0.0
119.04936	1.1
119.20582	0.0
121.02851	0.4
127.03905	0.1
129.01839	0.1
129.05476	1.4
145.02818	0.5
146.03235	0.0
147.06496	0.3
151.32143	0.0
153.01819	3.2
156.59373	0.0
163.03911	0.3
163.06055	0.1
171.02885	0.8
171.06508	0.0
187.03897	0.1
187.06844	0.0
202.06242	0.0
203.07094	0.2
215.07173	0.1
225.05421	0.3
225.07480	0.1
229.04906	0.2
237.41040	0.0
239.09091	0.1
243.06528	0.2
247.06018	0.1
253.05008	0.1
254.05751	0.0
270.05173	0.0
271.05988	100.0
272.06302	1.2
273.10117	0.0
283.05890	0.1
309.07608	0.0
313.07050	0.2
337.06937	0.1
381.09708	0.1
403.89813	0.0
415.09830	0.1
417.11642	0.1
433.11273	1.3
579.17035	4.6
580.16852	0.1
725.22186	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	725.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03928	0.7
55.01861	0.4
55.05502	0.4
58.62528	0.2
59.34417	0.2
60.96528	0.2
61.02932	1.4
63.02369	0.2
65.03934	1.8
67.05508	1.4
67.05810	0.3
68.99783	2.0
69.03423	2.7
69.07053	0.2
69.54700	1.1
69.55125	0.6
71.01357	1.0
71.04974	0.5
75.15166	0.3
76.03136	0.3
77.03914	0.9
78.04653	0.2
79.05483	1.5
81.03410	3.4
81.07048	1.1
83.04958	0.3
83.08610	0.5
83.38676	0.2
85.02889	0.7
87.00825	1.0
89.03914	0.9
91.05474	28.3
92.05792	0.2
93.07038	0.8
95.01335	0.3
95.04968	2.0
95.08598	0.4
97.02888	1.0
99.04420	0.3
103.05419	1.1
105.03396	1.3
105.07044	1.4
107.04939	1.1
107.08546	0.4
108.05812	0.3
109.02870	6.4
109.10112	0.4
111.04442	0.3
111.08136	0.3
115.05460	0.9
117.03416	0.2
117.06999	0.6
118.04124	0.7
119.04932	46.7
119.08561	0.6
120.05286	0.5
121.02869	0.4
121.06407	0.3
121.10175	0.3
123.04413	2.3
127.03103	0.2
127.03883	1.5
128.06218	0.6
129.01811	2.3
129.03351	0.6
129.06975	0.8
131.04907	1.4
131.08562	1.0
132.02060	1.7
133.02829	0.6
133.06464	1.4
133.10120	0.4
135.04393	0.6
135.08002	0.3
136.05203	0.5
137.02281	0.3
137.05946	0.6
141.06999	1.4
143.08589	0.3
144.05695	0.6
145.02843	1.3
145.06409	1.1
146.03592	0.5
146.07268	0.3
147.03027	1.3
147.04396	43.8
148.04781	0.4
149.02319	1.2
149.05914	0.3
151.03900	1.6
153.01816	1.3
153.05432	0.3
153.06879	0.4
154.06238	0.9
155.04921	0.4
157.03926	3.4
157.06503	1.7
159.04326	0.3
159.08046	1.1
160.05182	0.4
161.02283	0.3
161.05968	3.4
161.09570	0.2
162.03085	0.6
163.03912	0.5
164.04646	1.0
165.06967	0.4
167.07040	3.4
168.05750	0.4
169.06459	1.2
170.03569	0.3
171.04393	0.5
171.08070	0.2
172.05234	0.3
173.05962	0.7
175.03893	78.6
176.04358	1.1
177.05418	1.2
178.06265	0.3
179.03407	2.4
179.07008	3.6
181.04932	0.8
181.06381	0.4
183.04430	0.3
183.08032	0.6
184.05161	1.1
185.05960	1.6
187.03947	0.4
187.07504	1.9
188.04617	0.6
189.05487	1.9
191.07018	1.8
191.10718	0.3
192.04134	0.6
193.04858	0.3
193.08618	1.3
193.12151	0.4
197.04437	0.4
197.06015	0.4
198.06665	0.3
199.03850	0.5
199.07487	0.4
200.04636	0.4
201.05371	0.7
202.06259	0.5
203.07021	1.4
205.04875	0.6
206.05684	0.5
207.06509	100.0
208.06879	1.6
210.06824	0.3
211.07571	0.5
212.04654	1.3
213.03853	0.6
213.05672	1.3
214.06194	0.8
215.03514	0.4
215.07031	1.6
217.04991	0.5
217.08618	0.9
219.06537	4.3
221.07956	1.9
225.05533	0.4
225.07568	0.4
226.06212	0.4
227.06996	0.8
227.12750	0.2
229.04958	0.7
230.05759	1.0
231.06543	3.5
232.07243	1.1
233.07961	0.4
235.06001	0.5
235.09647	0.7
240.04338	0.3
241.05032	1.0
243.06546	0.4
244.07414	0.3
245.08080	6.4
247.05913	1.4
247.09677	1.2
248.06795	0.3
249.07559	0.7
251.05524	0.4
254.05685	0.3
255.06505	0.5
256.07251	1.2
257.04529	0.3
258.05258	0.5
259.05981	1.0
259.09598	0.8
261.07532	1.7
263.09125	9.5
267.15961	0.5
271.05997	31.2
271.09125	1.0
272.06531	1.2
273.07532	3.7
275.09119	0.3
283.06113	0.5
285.16885	0.3
287.05859	0.5
287.09070	3.7
288.09494	0.3
291.08603	47.5
292.08939	0.8
297.07391	0.3
300.06284	0.3
303.08698	0.3
315.08585	13.7
321.09686	0.6
333.09653	8.2
351.10764	0.8
401.08609	0.5
419.09644	1.3
437.10745	9.0
446.54288	0.2
455.11835	14.0
456.12201	0.6
459.27167	0.5
460.27380	0.3
477.28479	0.8
478.29111	0.3
597.51361	0.3
725.39142	0.4
740.20630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01865	1.6
55.05290	0.4
55.05505	4.3
57.03180	0.4
57.03437	3.6
59.04999	0.6
61.02914	1.7
65.03931	2.4
67.05499	8.8
67.43636	0.4
68.05842	0.4
68.99789	2.7
69.03428	4.2
69.07066	2.3
70.06604	0.5
70.92152	0.3
71.01357	2.0
71.04980	1.5
71.61214	0.7
76.03157	0.5
77.03921	0.8
79.05060	0.6
79.05492	8.1
80.05792	0.4
81.03416	21.4
81.07053	8.3
82.03748	1.3
82.07370	0.5
83.05006	1.9
83.05404	0.4
83.08612	5.5
84.08933	0.4
85.02898	3.3
85.06534	1.0
87.00811	1.3
87.04414	0.4
89.03919	1.1
91.05478	35.4
92.05812	0.8
93.07043	6.1
94.07356	0.7
95.04967	9.7
95.08607	3.2
96.05297	0.7
96.08917	0.4
97.02894	2.9
97.06506	1.7
97.10171	2.9
99.04445	0.9
103.05441	1.7
105.03384	1.2
105.07024	6.6
106.07352	0.5
107.04951	5.0
107.08607	4.4
108.08073	0.5
108.08839	0.4
109.02880	7.1
109.06519	2.8
109.10138	3.0
111.04429	1.5
111.08085	2.1
113.06039	0.7
115.05423	1.0
117.03352	0.7
117.07002	2.1
118.04140	1.1
119.04939	44.9
119.08577	4.9
120.05230	0.5
121.02834	0.9
121.06496	2.5
121.10115	3.1
122.06795	0.5
123.04434	2.8
123.08054	1.3
123.11685	0.8
124.60831	0.3
125.06014	0.9
125.09608	3.1
127.03951	2.4
128.06213	1.1
129.01810	1.6
129.03342	0.6
129.07019	3.1
131.04921	1.7
131.08554	4.8
132.02055	1.1
132.08902	0.6
133.02837	1.1
133.06505	2.5
133.10129	2.7
135.04420	1.2
135.08037	1.5
135.11682	1.0
135.82283	0.3
136.05197	0.7
137.02260	0.5
137.05981	1.8
137.09662	0.8
139.05434	0.4
141.07001	1.6
142.07765	0.7
143.05614	1.3
143.08513	0.9
143.10667	0.6
144.05702	1.0
145.02844	3.0
145.06488	2.7
145.10178	1.9
146.03638	0.5
147.04402	40.8
147.08034	1.6
147.11633	2.7
148.04956	0.5
148.11906	0.4
149.02344	0.9
149.05928	1.1
149.09598	2.9
149.13258	0.4
151.03893	2.0
151.07487	0.6
151.11295	0.6
153.01817	2.6
153.02924	0.5
153.05504	0.6
153.09077	0.7
153.12703	0.6
154.06261	0.8
155.04909	0.8
155.08514	0.6
156.05719	0.4
157.03944	3.3
157.06482	2.7
157.10127	2.4
159.08089	2.0
159.11703	0.6
160.05214	0.6
161.05984	3.8
161.09596	0.9
161.13196	0.5
163.03955	0.8
163.07510	0.9
163.11133	1.4
164.04675	1.1
165.09093	0.5
165.12767	0.8
167.07054	5.2
169.06439	2.2
169.10014	0.6
171.02908	0.8
171.08005	1.0
172.05200	0.5
173.06021	1.0
173.09636	0.7
173.11679	0.8
173.13158	0.5
174.06729	0.5
175.03903	72.0
175.11165	2.5
176.04414	1.3
177.05467	3.8
179.03496	1.9
179.07053	3.5
181.04909	1.0
181.06424	0.5
184.05220	1.0
185.06001	2.2
187.07513	2.2
187.11261	0.6
189.05492	2.1
189.09169	0.6
189.11198	1.3
189.12732	0.4
191.07014	3.7
191.10701	0.7
192.04198	0.7
193.08582	1.9
193.12244	6.2
194.12572	1.0
197.06078	0.6
199.03867	0.8
199.07475	1.0
200.04556	0.5
201.05423	0.9
202.06219	0.6
203.07028	1.7
204.04025	0.6
205.04881	0.4
205.08569	0.5
206.05847	0.5
207.06520	100.0
208.06851	1.1
209.11732	0.6
211.07538	0.6
211.09854	0.4
211.13264	2.5
212.04680	1.6
212.13632	0.9
213.03777	0.9
213.05511	1.7
215.06970	1.9
215.14310	0.4
216.04121	0.5
217.08603	1.1
219.06509	5.1
219.13718	0.8
221.08066	2.3
225.07565	0.6
227.06961	0.8
227.12816	1.2
229.04958	0.6
229.14365	1.3
230.05753	1.2
231.06517	4.0
232.07277	0.8
233.07893	0.6
233.15373	1.1
235.05939	0.5
235.09679	0.7
235.13104	0.6
237.14862	0.5
240.04341	0.5
241.04936	1.0
243.06413	0.5
245.08076	7.0
247.05956	1.6
247.09605	1.3
249.07564	0.5
249.14766	0.7
255.06586	1.0
256.07294	1.4
259.06024	1.2
259.09598	1.2
261.07587	2.1
263.09155	10.8
267.13025	0.6
267.15912	15.4
268.16214	3.7
271.06003	65.6
272.06580	1.4
272.20047	0.6
273.07507	3.5
273.14777	1.1
274.15198	0.6
275.09058	0.8
283.15353	0.7
284.15640	0.8
285.16962	1.8
286.17548	0.7
287.05560	1.5
287.09106	3.6
291.08618	44.8
292.08902	0.8
297.07498	0.5
300.06335	0.5
301.07153	0.5
303.08447	0.6
315.08615	13.9
333.09641	7.7
334.23737	0.6
351.10876	0.9
367.22598	2.7
368.23026	1.1
385.23740	4.4
386.23962	1.7
401.08563	0.7
403.24710	1.6
404.25021	0.7
419.09482	0.8
433.25574	0.5
437.10837	6.5
441.26379	1.1
442.26611	0.7
455.11798	9.8
459.27393	14.2
460.27750	9.1
477.28448	12.5
478.28760	7.3
491.30008	0.8
509.30713	0.6
527.29980	0.4
724.42627	0.6
725.37579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01865	1.6
55.05290	0.4
55.05505	4.3
57.03180	0.4
57.03437	3.6
59.04999	0.6
61.02914	1.7
65.03931	2.4
67.05499	8.8
67.43636	0.4
68.05842	0.4
68.99789	2.7
69.03428	4.2
69.07066	2.3
70.06604	0.5
70.92152	0.3
71.01357	2.0
71.04980	1.5
71.61214	0.7
76.03157	0.5
77.03921	0.8
79.05060	0.6
79.05492	8.1
80.05792	0.4
81.03416	21.4
81.07053	8.3
82.03748	1.3
82.07370	0.5
83.05006	1.9
83.05404	0.4
83.08612	5.5
84.08933	0.4
85.02898	3.3
85.06534	1.0
87.00811	1.3
87.04414	0.4
89.03919	1.1
91.05478	35.4
92.05812	0.8
93.07043	6.1
94.07356	0.7
95.04967	9.7
95.08607	3.2
96.05297	0.7
96.08917	0.4
97.02894	2.9
97.06506	1.7
97.10171	2.9
99.04445	0.9
103.05441	1.7
105.03384	1.2
105.07024	6.6
106.07352	0.5
107.04951	5.0
107.08607	4.4
108.08073	0.5
108.08839	0.4
109.02880	7.1
109.06519	2.8
109.10138	3.0
111.04429	1.5
111.08085	2.1
113.06039	0.7
115.05423	1.0
117.03352	0.7
117.07002	2.1
118.04140	1.1
119.04939	44.9
119.08577	4.9
120.05230	0.5
121.02834	0.9
121.06496	2.5
121.10115	3.1
122.06795	0.5
123.04434	2.8
123.08054	1.3
123.11685	0.8
124.60831	0.3
125.06014	0.9
125.09608	3.1
127.03951	2.4
128.06213	1.1
129.01810	1.6
129.03342	0.6
129.07019	3.1
131.04921	1.7
131.08554	4.8
132.02055	1.1
132.08902	0.6
133.02837	1.1
133.06505	2.5
133.10129	2.7
135.04420	1.2
135.08037	1.5
135.11682	1.0
135.82283	0.3
136.05197	0.7
137.02260	0.5
137.05981	1.8
137.09662	0.8
139.05434	0.4
141.07001	1.6
142.07765	0.7
143.05614	1.3
143.08513	0.9
143.10667	0.6
144.05702	1.0
145.02844	3.0
145.06488	2.7
145.10178	1.9
146.03638	0.5
147.04402	40.8
147.08034	1.6
147.11633	2.7
148.04956	0.5
148.11906	0.4
149.02344	0.9
149.05928	1.1
149.09598	2.9
149.13258	0.4
151.03893	2.0
151.07487	0.6
151.11295	0.6
153.01817	2.6
153.02924	0.5
153.05504	0.6
153.09077	0.7
153.12703	0.6
154.06261	0.8
155.04909	0.8
155.08514	0.6
156.05719	0.4
157.03944	3.3
157.06482	2.7
157.10127	2.4
159.08089	2.0
159.11703	0.6
160.05214	0.6
161.05984	3.8
161.09596	0.9
161.13196	0.5
163.03955	0.8
163.07510	0.9
163.11133	1.4
164.04675	1.1
165.09093	0.5
165.12767	0.8
167.07054	5.2
169.06439	2.2
169.10014	0.6
171.02908	0.8
171.08005	1.0
172.05200	0.5
173.06021	1.0
173.09636	0.7
173.11679	0.8
173.13158	0.5
174.06729	0.5
175.03903	72.0
175.11165	2.5
176.04414	1.3
177.05467	3.8
179.03496	1.9
179.07053	3.5
181.04909	1.0
181.06424	0.5
184.05220	1.0
185.06001	2.2
187.07513	2.2
187.11261	0.6
189.05492	2.1
189.09169	0.6
189.11198	1.3
189.12732	0.4
191.07014	3.7
191.10701	0.7
192.04198	0.7
193.08582	1.9
193.12244	6.2
194.12572	1.0
197.06078	0.6
199.03867	0.8
199.07475	1.0
200.04556	0.5
201.05423	0.9
202.06219	0.6
203.07028	1.7
204.04025	0.6
205.04881	0.4
205.08569	0.5
206.05847	0.5
207.06520	100.0
208.06851	1.1
209.11732	0.6
211.07538	0.6
211.09854	0.4
211.13264	2.5
212.04680	1.6
212.13632	0.9
213.03777	0.9
213.05511	1.7
215.06970	1.9
215.14310	0.4
216.04121	0.5
217.08603	1.1
219.06509	5.1
219.13718	0.8
221.08066	2.3
225.07565	0.6
227.06961	0.8
227.12816	1.2
229.04958	0.6
229.14365	1.3
230.05753	1.2
231.06517	4.0
232.07277	0.8
233.07893	0.6
233.15373	1.1
235.05939	0.5
235.09679	0.7
235.13104	0.6
237.14862	0.5
240.04341	0.5
241.04936	1.0
243.06413	0.5
245.08076	7.0
247.05956	1.6
247.09605	1.3
249.07564	0.5
249.14766	0.7
255.06586	1.0
256.07294	1.4
259.06024	1.2
259.09598	1.2
261.07587	2.1
263.09155	10.8
267.13025	0.6
267.15912	15.4
268.16214	3.7
271.06003	65.6
272.06580	1.4
272.20047	0.6
273.07507	3.5
273.14777	1.1
274.15198	0.6
275.09058	0.8
283.15353	0.7
284.15640	0.8
285.16962	1.8
286.17548	0.7
287.05560	1.5
287.09106	3.6
291.08618	44.8
292.08902	0.8
297.07498	0.5
300.06335	0.5
301.07153	0.5
303.08447	0.6
315.08615	13.9
333.09641	7.7
334.23737	0.6
351.10876	0.9
367.22598	2.7
368.23026	1.1
385.23740	4.4
386.23962	1.7
401.08563	0.7
403.24710	1.6
404.25021	0.7
419.09482	0.8
433.25574	0.5
437.10837	6.5
441.26379	1.1
442.26611	0.7
455.11798	9.8
459.27393	14.2
460.27750	9.1
477.28448	12.5
478.28760	7.3
491.30008	0.8
509.30713	0.6
527.29980	0.4
724.42627	0.6
725.37579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58324	0.8
53.03940	2.5
55.01863	3.0
55.05515	11.0
57.03185	1.2
57.03437	14.3
60.69731	0.7
65.03935	1.3
67.05501	17.9
69.03426	4.9
69.07053	4.8
69.87080	4.3
71.04992	3.8
74.23448	0.8
79.05058	1.2
79.05491	18.2
80.26311	0.7
81.03416	78.6
81.07054	19.6
81.09751	0.6
82.51606	0.7
83.04988	9.8
83.08620	19.6
85.02905	9.7
85.06532	1.7
89.03903	1.8
91.05480	21.2
93.07040	13.3
95.04970	25.6
95.08590	6.4
97.02895	3.9
97.06519	2.6
97.10182	5.2
99.08044	0.8
103.05466	0.7
105.07023	17.1
105.78691	0.8
107.04963	6.5
107.08580	7.9
109.02861	2.1
109.06536	5.4
109.10149	4.0
111.04428	2.2
111.08070	7.0
113.05981	1.1
115.05445	1.4
117.03379	5.8
117.07051	3.5
119.04919	1.8
119.08584	16.1
121.06493	5.7
121.10138	7.7
123.08049	2.8
123.11696	1.1
125.09631	3.5
127.03881	1.1
129.07007	9.7
131.04916	1.6
131.08575	10.4
133.06493	4.0
133.10141	7.7
135.08026	1.1
135.11655	1.4
137.05983	1.2
137.09587	1.6
141.06999	1.1
142.07758	3.1
143.08517	1.8
145.01744	1.4
145.02835	19.2
145.06525	5.2
145.10127	3.3
147.08037	3.6
147.11678	11.5
149.05969	2.5
149.09615	5.7
151.11081	1.0
154.38380	0.7
155.08481	1.0
157.06534	1.2
157.10114	12.0
159.08070	0.9
161.05948	1.0
163.11136	2.0
165.12724	2.5
171.08069	1.2
173.09694	0.9
173.11769	1.0
174.06906	0.7
175.03905	1.3
175.11176	10.6
177.05469	26.2
178.62956	0.8
187.07460	0.9
189.11227	1.0
189.12671	0.9
193.12241	32.7
195.11711	1.2
197.13268	1.1
205.12262	1.0
207.06438	1.3
211.11267	0.8
211.13257	15.3
215.06990	1.6
217.08566	1.0
227.12651	1.7
229.14372	1.6
231.06531	0.8
233.08144	0.9
233.15387	1.3
237.12746	0.8
241.14430	0.8
249.14857	2.0
255.13837	2.0
260.87201	1.0
261.07590	9.5
267.15900	100.0
268.16147	1.9
271.05795	1.0
273.14728	3.6
285.07635	2.1
285.16977	15.0
286.04745	2.0
287.05511	1.7
301.06973	5.2
303.08627	1.9
311.16635	0.9
313.27710	0.8
339.23032	1.3
341.21008	1.9
349.21783	3.4
367.22638	9.7
385.23691	12.7
400.63220	0.8
403.24698	2.9
405.24512	1.5
407.09729	1.2
411.96796	0.7
415.24765	0.8
425.10666	3.0
433.19867	1.0
433.25824	15.6
441.26529	7.7
443.12958	0.7
459.27386	72.5
460.27655	3.5
477.28458	43.2
478.28729	2.0
491.29709	0.8
519.29810	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	1.2
55.01872	3.4
55.05512	12.2
55.05760	0.6
57.03441	4.2
59.04982	0.8
61.02927	3.7
65.03929	0.8
67.05503	17.2
69.03424	6.1
69.07068	15.6
69.65431	1.1
69.65840	1.8
71.04973	2.0
73.02879	1.5
73.03248	0.4
79.05492	15.1
81.03422	7.4
81.07056	14.5
83.04987	3.7
83.08616	7.2
85.02908	5.7
85.06520	0.8
85.11025	0.4
87.04469	0.5
91.03952	2.3
91.05476	10.5
92.05788	0.4
93.07044	12.5
94.04182	0.3
95.04970	7.1
95.08611	6.5
97.02306	0.6
97.02890	9.6
97.06533	2.8
97.10171	8.1
99.04437	0.7
99.08091	0.5
101.05878	0.5
101.09609	0.4
103.05412	0.6
105.06390	0.6
105.07033	9.3
107.04958	4.6
107.08590	8.5
109.02850	0.9
109.06495	2.3
109.10157	6.1
111.04432	1.1
111.08071	2.3
113.05966	0.4
117.03418	0.4
117.07009	3.7
119.04894	1.3
119.08579	6.7
121.06502	2.2
121.09473	0.4
121.10143	4.7
123.04314	0.5
123.08064	2.5
123.11711	0.7
125.09624	6.6
127.03855	1.8
128.06163	0.4
128.21558	0.4
129.05475	0.5
129.06993	2.2
131.08574	5.0
133.06488	2.6
133.10118	5.2
134.07318	0.5
135.04343	0.6
135.08063	3.1
135.11708	2.2
135.12534	0.4
137.05936	0.5
137.09596	1.4
139.11188	0.5
141.06892	0.4
142.07719	0.6
143.08592	1.9
145.02837	0.5
145.04910	1.1
145.06435	0.5
145.09215	0.4
145.10136	5.0
147.04372	0.6
147.08041	3.4
147.11697	2.0
149.09607	1.8
149.13228	1.1
151.07431	0.5
151.11150	1.5
153.09053	0.6
155.08499	0.5
157.10129	2.2
159.08058	1.1
159.11671	1.7
161.09555	1.7
162.10397	0.8
163.06018	0.9
163.11191	2.0
165.09087	0.9
165.12799	0.7
167.07124	0.5
169.12190	0.5
171.10240	0.5
171.11623	0.7
173.09572	0.5
173.13229	0.5
175.11224	2.0
177.05450	1.0
177.12659	0.9
179.10623	0.4
181.12230	0.5
185.09592	0.4
185.13300	0.6
189.11180	4.5
189.12759	0.7
191.10638	0.9
193.12238	4.2
195.13788	0.7
199.11185	0.7
205.12297	0.9
207.06482	0.7
209.11618	0.6
211.13293	2.2
223.13264	11.9
227.12770	4.5
229.14253	0.5
233.15155	0.7
245.13795	0.5
245.18872	0.9
249.14810	1.9
253.14290	1.4
255.17570	0.6
259.20346	0.4
263.20081	0.4
265.14264	1.3
267.15976	2.8
269.17343	0.4
271.05948	0.4
273.18481	7.1
276.58881	0.4
283.15363	1.0
285.16956	10.9
287.34943	0.4
291.19528	55.5
292.19623	1.1
295.35422	0.4
297.16901	0.5
301.16556	0.6
325.99152	0.4
331.85583	0.4
347.22125	3.0
365.23224	100.0
366.23770	2.6
383.24387	0.5
429.21179	1.2
451.26978	1.2
459.27396	1.1
469.28433	0.4
477.28415	3.3
495.29572	1.5
509.26828	0.7
527.28333	3.3
598.45001	0.4
719.07538	0.4
724.42969	0.5
737.63928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.6
55.01875	6.2
55.05512	7.8
57.03437	6.9
57.07057	0.9
59.04985	0.5
59.10251	0.5
61.02928	5.0
62.12069	0.5
65.03925	1.2
67.05504	31.8
69.03434	4.4
69.06729	0.7
69.07071	8.7
71.04996	5.0
72.08115	0.7
73.02894	2.1
77.03873	0.6
79.05493	18.9
81.02962	0.7
81.03419	5.8
81.07058	35.8
82.07359	0.5
83.04984	6.5
83.08612	4.0
84.97486	0.5
85.02906	7.4
85.06550	3.4
87.04448	0.7
91.03963	4.2
91.05479	31.5
93.07042	20.6
95.01315	0.6
95.04975	7.9
95.08607	12.0
97.02888	5.8
97.06522	5.0
97.10140	1.9
99.04440	2.0
99.08063	0.8
101.05948	0.8
105.07031	25.8
107.04951	6.1
107.07864	1.0
107.08595	22.6
109.02851	1.6
109.06502	5.1
109.10156	31.0
110.10482	0.7
111.04427	2.1
111.08054	2.5
113.05980	1.9
115.05453	0.8
117.07009	4.9
119.04921	1.0
119.08568	7.2
121.06503	3.8
121.10134	6.1
123.04381	1.1
123.08088	3.0
123.11707	6.1
125.09622	1.9
127.03883	1.6
127.07526	1.6
128.06221	1.0
129.05476	1.2
129.07030	2.9
131.04913	0.7
131.08565	8.5
133.06493	3.3
133.10127	42.1
134.50558	0.5
135.08070	5.5
135.11665	4.0
137.05943	0.9
137.09576	1.5
139.07579	1.0
143.08575	3.4
145.02829	0.9
145.04922	1.5
145.06528	0.5
145.10114	5.5
147.04381	0.8
147.08060	2.6
147.11694	3.2
149.09633	6.0
149.13269	1.0
151.07477	0.7
151.11177	19.9
155.08498	0.9
157.10127	2.1
159.08044	1.7
159.11682	2.0
161.09622	4.7
161.13223	0.8
163.05980	1.5
163.11205	2.6
165.12729	0.8
167.06918	0.7
167.10727	0.6
169.12265	3.1
171.11655	2.6
173.09570	0.8
175.07602	0.7
175.11176	2.5
177.05440	2.2
177.09077	1.8
177.12793	0.8
179.10680	1.1
181.12254	1.0
189.09009	0.6
189.12788	1.1
191.10689	1.3
193.12248	1.7
195.11794	0.7
197.11688	0.7
207.06514	1.3
209.11732	1.6
211.13449	0.8
215.12724	2.3
223.13287	0.5
227.12701	0.9
227.18045	1.1
229.25772	0.6
245.18988	2.5
251.12813	1.2
253.14346	73.9
254.14680	1.1
255.17743	1.1
263.20023	2.5
267.15921	1.6
269.13803	2.7
269.17401	0.9
271.06039	1.1
271.15424	9.4
273.15781	1.0
273.18539	10.6
283.15295	1.5
285.17017	2.2
287.05591	0.7
291.19559	13.0
301.16608	1.0
301.19949	0.8
309.20667	0.7
347.22244	7.0
365.23227	100.0
366.23593	1.8
367.22827	0.6
383.24255	2.4
415.19690	0.8
433.25836	0.7
451.26761	3.7
459.27466	1.7
469.27731	1.2
477.28464	3.7
483.29858	0.6
495.29822	3.3
509.31592	2.7
527.27856	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
54.63731	1.2
55.01871	2.2
55.05262	1.5
55.05508	19.7
57.03436	7.5
57.07076	3.8
59.23938	1.1
65.03951	3.2
67.05502	65.2
69.03432	9.5
69.07062	14.6
71.04990	19.7
71.52221	2.1
77.77959	1.2
79.05492	39.7
81.03416	21.1
81.07056	100.0
82.31183	1.2
83.04980	19.4
83.08603	8.5
85.02901	3.3
85.06561	8.4
91.04903	1.5
91.05476	30.4
93.07040	43.3
95.04970	8.5
95.08602	31.8
95.59225	1.4
97.02884	4.2
97.06514	7.0
97.10175	3.3
99.04474	3.5
99.08082	2.0
105.07027	25.3
107.04913	2.6
107.08582	23.5
109.02894	1.9
109.06514	5.2
109.10161	16.6
111.04440	4.8
111.08083	2.3
115.05409	1.6
117.07029	10.9
119.08562	11.4
120.75665	1.5
121.10117	14.9
123.11714	13.6
125.09618	1.5
127.03885	4.1
128.06204	1.2
129.05458	9.7
129.06984	5.2
131.08591	11.4
132.67215	1.3
133.06496	1.5
133.10133	17.3
135.11710	9.8
137.09625	1.8
143.08546	4.3
145.10098	6.6
146.96924	1.3
147.08040	1.4
147.11670	9.5
149.09621	1.6
149.13213	6.6
151.11171	5.3
154.07851	1.2
157.10109	4.7
159.11700	8.2
161.13258	3.2
163.14760	1.4
165.12772	2.3
169.10080	2.8
169.12300	2.1
171.11646	1.5
173.04436	6.0
173.13272	2.9
175.11197	2.9
176.26942	1.2
177.12749	4.1
179.14290	1.4
183.13812	2.6
185.13329	1.9
187.13301	9.3
187.14806	2.2
193.12318	1.7
195.13829	2.3
197.13307	1.8
201.14842	3.2
225.14864	3.5
227.16440	1.8
241.17879	1.5
243.15826	3.8
257.17584	2.4
261.22174	5.4
267.15854	1.6
269.17578	8.2
335.25806	18.7
351.23056	1.6
369.24261	3.3
413.21735	1.5
443.27725	1.6
445.24750	2.1
461.29025	2.8
479.30035	2.2
503.37247	36.9
505.38840	20.5
517.39197	1.7
529.38782	6.7
561.41571	25.6
625.45007	1.4
655.41559	2.6
663.17297	1.5
673.42914	5.3
705.45398	3.9
723.46222	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	723.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72732	1.2
53.03945	5.0
55.01873	4.7
55.05509	24.4
57.03439	9.9
57.07071	2.6
59.04997	2.3
59.67097	1.2
60.30665	1.2
64.33344	1.4
64.37982	1.4
65.03941	4.6
67.05506	86.4
69.03433	13.3
69.07072	17.5
71.01371	2.1
71.04995	22.4
73.02905	1.6
79.05488	40.5
81.03414	23.2
81.07059	100.0
83.04980	26.1
83.08628	13.3
85.02909	5.6
85.06551	9.2
86.71042	1.4
87.04466	2.3
90.78526	1.3
91.05482	37.4
93.07047	40.7
95.04962	7.3
95.08601	42.2
97.02895	4.2
97.06540	8.8
97.10177	4.4
99.04467	3.5
99.08109	2.5
105.07027	28.9
107.04945	5.1
107.08595	30.0
109.02877	4.2
109.06541	6.4
109.10160	26.8
111.04440	5.8
111.08093	2.2
115.05469	1.9
117.07021	8.6
119.08586	17.4
121.06532	2.2
121.10147	17.1
123.08070	2.7
123.11729	14.5
125.09641	2.3
127.03938	2.5
128.06221	2.1
129.05495	10.4
129.06966	6.7
131.08566	16.0
133.06516	3.3
133.10135	28.4
135.08046	3.1
135.11693	12.4
137.09583	2.2
139.11226	2.4
143.08572	5.4
145.06543	1.7
145.10123	9.0
147.08110	2.2
147.11682	12.8
149.09669	4.0
149.13231	6.7
151.11189	8.5
155.08575	3.3
157.10152	6.2
159.11688	9.5
161.09599	1.7
161.13281	4.9
163.14807	2.3
165.12743	3.4
169.10165	2.7
171.11679	2.2
173.04492	2.9
173.09639	2.1
173.13335	5.1
175.11179	3.7
177.12764	4.5
181.10109	1.8
183.11613	2.7
185.13303	3.4
187.11751	2.0
187.13310	9.5
187.14812	2.6
189.12810	1.7
189.16423	1.5
193.12273	3.2
195.11745	2.3
195.13797	3.4
197.15262	1.5
199.14894	2.6
225.14841	4.2
227.12781	1.7
227.16461	3.8
229.14372	1.8
230.01634	1.8
241.17937	2.2
243.15907	6.2
253.14221	7.1
257.17508	3.1
261.18814	1.3
261.22070	2.9
263.23654	2.7
267.15979	2.9
269.17450	12.1
273.18515	3.8
277.21597	2.0
282.14899	1.5
291.16534	1.4
291.19482	8.0
301.20535	1.8
312.56799	1.4
317.24600	1.6
319.22897	1.7
327.22748	1.7
331.22913	2.2
335.25806	14.3
339.18042	1.9
351.23041	2.4
369.24194	4.5
387.25183	2.9
413.21948	1.8
443.27945	1.7
445.23993	2.1
459.03354	1.3
461.29077	2.6
479.29944	2.3
482.21967	1.5
489.36176	1.8
503.37268	25.7
505.31396	2.0
505.38843	37.3
511.37802	1.8
517.38214	3.3
526.35883	1.6
529.39032	8.4
561.41693	11.3
629.40552	1.7
637.40430	2.4
647.40710	2.8
673.43140	9.7
705.45880	3.3
723.46405	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	723.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.01871	2.6
55.05508	20.9
57.03426	8.3
57.07072	2.8
59.04992	2.9
62.46672	1.8
65.03923	2.6
66.15128	1.9
67.05505	68.2
69.03431	13.9
69.07071	15.1
69.36970	22.3
71.04983	22.3
79.05489	31.9
81.03416	21.4
81.07056	100.0
83.04982	22.2
83.08592	8.1
85.02887	4.1
85.06535	9.0
91.05476	35.9
93.07047	39.0
95.04968	6.1
95.08604	35.5
97.02881	6.6
97.06516	6.0
98.20744	2.8
99.04430	3.4
105.07014	22.9
107.04927	2.4
107.08582	23.4
109.06539	4.2
109.10159	16.4
111.04456	5.0
111.08076	4.2
117.07029	10.5
119.08584	11.7
121.06528	2.2
121.10131	14.5
123.08109	2.0
123.11689	14.9
129.05475	10.3
129.06976	5.0
131.08545	12.1
133.10149	18.9
135.08066	2.8
135.11697	10.1
137.09669	2.5
145.10133	6.8
147.11673	8.6
149.13249	7.4
151.11176	6.5
157.10136	5.2
159.11661	10.5
161.13284	3.3
169.10139	4.1
171.11668	3.2
173.04442	7.6
173.13231	5.1
177.12694	5.2
179.14293	2.0
183.11649	3.6
183.13795	3.1
185.07899	2.3
185.13226	3.2
187.13254	13.4
195.13731	2.6
199.14929	2.4
209.32362	2.0
219.09462	2.0
225.14804	3.1
229.14473	2.5
233.15504	2.1
234.14320	2.3
243.15950	4.4
257.17426	4.2
259.20514	2.5
261.22153	5.2
269.17426	10.9
301.19986	3.0
303.23218	2.3
319.22809	2.0
335.25815	23.4
369.24139	8.8
429.20810	2.5
461.29016	2.6
503.37280	41.6
505.38873	25.4
511.69513	2.4
517.38538	3.7
529.38806	6.8
561.41565	29.2
673.42462	8.4
705.45428	8.8
723.45972	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	723.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01877	1.2
55.05514	2.6
57.03433	2.0
61.02927	5.5
67.05505	10.8
69.03426	3.2
69.07068	3.5
69.43691	0.5
69.44106	2.3
71.01324	0.4
71.04998	1.6
73.02917	3.0
73.99746	0.3
79.05486	4.5
80.53061	0.3
80.69733	0.3
80.80386	0.3
81.03411	3.2
81.07059	6.7
83.04990	1.0
83.08614	1.6
85.02896	5.2
85.06545	0.5
87.04449	0.5
91.00187	0.3
91.03957	3.2
91.05479	5.0
93.07041	4.8
95.04978	1.8
95.08616	3.2
97.02888	4.4
97.06539	0.8
97.10182	0.7
99.04465	1.0
99.08080	0.3
101.02384	1.4
103.03997	0.5
103.05468	0.3
105.04508	0.3
105.07037	3.3
106.67920	0.3
107.04966	0.7
107.08610	3.0
109.02902	0.7
109.06522	1.2
109.10158	7.6
111.04435	0.4
111.08083	1.0
115.03994	0.4
117.07014	1.4
119.08588	2.9
121.06464	0.6
121.10162	1.9
123.08044	0.5
123.11759	0.4
125.09616	0.4
127.03899	1.6
129.05507	0.5
129.07027	0.8
130.97868	0.3
131.08566	1.6
133.10115	1.7
135.08095	0.4
135.11632	1.5
137.09557	0.6
143.08568	0.7
145.10141	1.5
147.11710	1.5
149.09654	0.7
149.13347	0.5
155.08598	0.4
157.10106	0.7
158.90712	0.3
159.11745	0.8
161.13289	0.5
163.11250	0.5
165.09105	0.8
167.08595	0.3
171.11720	0.4
173.11783	2.1
173.13182	0.4
175.11177	0.4
183.11725	0.4
185.04234	0.4
187.14874	0.5
193.12343	0.4
193.62910	0.3
195.09972	0.7
205.12503	0.3
207.22501	0.3
210.75745	0.3
211.13316	0.4
227.12758	0.6
229.14415	0.9
243.08414	2.6
257.18967	0.5
267.15973	0.7
269.17493	0.9
273.18466	0.4
275.20074	1.9
301.08957	0.6
333.20505	1.6
349.23718	0.6
389.23068	0.3
413.17816	8.9
439.19424	0.6
453.20978	0.8
517.35419	0.5
543.36725	1.5
551.28400	5.2
561.37769	0.9
625.31940	0.8
705.42084	0.5
723.39240	100.0
724.39478	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	723.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33025	0.5
54.96597	0.5
56.96562	5.0
61.08323	0.5
63.72660	0.5
71.58963	0.9
84.96026	3.2
87.19868	0.5
98.97576	26.9
110.97560	6.1
116.98613	18.2
117.71089	0.5
128.98599	12.7
134.99640	8.2
136.94026	0.7
140.98563	2.9
143.00168	6.4
146.99652	10.7
152.98608	1.3
152.99667	0.9
153.99368	0.5
158.99641	15.3
161.01218	9.6
161.02544	0.7
162.00198	0.7
165.00749	1.3
168.00211	1.8
170.99644	13.2
173.01196	1.2
174.99242	0.8
177.00706	17.7
179.02249	2.0
181.00357	0.7
182.99635	9.0
189.00708	21.2
194.99869	0.7
195.01694	2.5
198.01146	0.6
199.01349	0.8
200.02361	0.7
201.00699	43.0
204.01151	0.7
207.01747	2.9
213.00670	2.5
217.02371	2.6
217.96059	3.8
219.01750	40.2
225.00859	0.7
225.03029	0.7
231.01787	5.4
235.03409	0.6
237.02806	17.9
240.02310	1.6
242.03297	0.7
243.01741	17.1
249.02733	0.7
255.03868	1.6
261.02808	69.3
273.02826	4.0
279.03876	47.4
281.54349	0.5
291.03873	15.6
297.04944	1.8
300.04550	0.7
301.61017	0.6
302.05487	1.7
303.03958	1.8
309.04837	1.2
321.04904	31.7
333.04968	3.8
343.05847	0.8
351.05905	6.6
363.05972	2.1
381.02078	9.8
381.07138	24.8
399.02744	1.1
399.08075	24.7
441.09140	100.0
442.09515	1.5
453.09198	2.2
471.10071	1.3
501.11298	1.4
543.12360	0.6
723.11279	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01875	2.9
55.05509	8.0
57.03441	7.5
58.96108	0.6
59.04976	0.9
61.02879	0.6
65.03914	1.1
67.05506	16.0
69.03437	3.6
69.06733	0.6
69.07068	6.4
70.06585	0.9
70.74514	1.1
71.01337	0.9
71.04990	2.6
71.96637	0.6
73.02892	1.8
79.05493	18.6
81.03418	44.3
81.07056	16.4
83.04983	5.4
83.08154	0.7
83.08617	11.5
84.08105	0.7
85.02910	3.8
85.06504	1.6
87.04449	0.5
89.03909	0.7
91.05481	14.1
92.04961	0.5
93.06495	1.2
93.07045	22.9
95.04372	0.7
95.04968	13.4
95.08607	20.2
97.02903	4.4
97.06533	3.5
97.10144	1.9
99.04425	2.3
99.08056	1.0
101.12404	0.5
103.05427	1.1
105.07038	9.6
105.07732	0.5
107.04961	7.7
107.08596	15.6
109.02869	1.3
109.06529	2.8
109.10159	4.6
111.04444	3.2
111.08083	4.6
113.47833	0.5
115.05442	1.1
117.03384	1.3
117.07008	5.5
118.06514	1.9
119.04881	1.4
119.08582	12.5
121.06502	5.3
121.09318	0.8
121.10141	12.4
123.04400	1.2
123.08064	1.1
124.38202	0.6
125.05955	1.9
125.09618	1.0
127.03915	1.2
128.06143	0.6
128.97821	0.6
129.07027	4.6
130.07793	1.0
131.08560	5.7
133.06461	1.8
133.10124	5.3
135.08026	1.5
135.11690	26.4
136.12059	0.6
137.06020	1.3
137.09593	1.1
142.07664	1.0
143.05640	1.5
143.08557	1.4
145.02817	1.6
145.10123	17.6
147.04417	1.2
147.08032	1.7
147.11691	6.4
149.05902	0.9
149.09602	3.8
149.13293	0.8
153.12695	2.3
157.10146	6.3
157.15805	0.5
159.11633	1.3
161.09550	1.0
162.09119	1.7
163.11179	42.0
165.09157	0.5
165.12720	1.8
167.06990	2.2
171.11673	0.6
173.09695	1.2
175.03882	1.7
175.11229	5.7
177.05475	3.7
181.12227	7.1
185.09605	0.6
185.13196	0.6
191.10741	1.1
193.12233	11.6
196.59003	0.5
207.06531	2.9
208.06757	0.7
209.11751	2.2
211.13341	2.8
227.12781	37.9
230.15379	3.4
249.14920	1.1
267.15915	88.6
268.16193	1.4
275.20044	0.8
277.21576	3.7
283.15399	56.6
284.15714	0.9
285.16864	1.5
287.05554	1.1
292.19067	10.9
315.18256	1.0
331.07919	1.0
419.18146	0.6
457.25797	1.4
461.28900	0.6
475.26926	100.0
476.27139	3.1
493.27942	3.2
507.29477	0.8
510.26791	0.8
517.28326	0.7
525.30536	2.2
560.36548	1.1
565.01672	0.8
694.43091	0.7
722.41199	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40850	1.1
53.03941	6.0
54.33341	1.3
55.01877	7.7
55.05259	2.1
55.05513	26.7
57.03441	11.4
57.07080	4.2
59.05011	1.7
60.90575	1.1
61.02917	5.1
64.79004	1.1
65.03939	3.7
65.07988	1.2
67.05506	82.1
69.03432	15.1
69.07069	24.1
71.04600	1.3
71.04996	24.9
73.02923	2.1
74.74709	1.1
79.05496	49.2
80.19154	1.1
81.03417	35.2
81.07059	100.0
83.04975	13.2
83.08633	13.8
85.02904	9.7
85.06546	9.4
91.03967	2.0
91.05484	53.0
93.07045	62.0
95.01334	2.8
95.04970	15.8
95.08613	35.6
97.02898	10.3
97.06525	12.6
97.10172	6.9
99.04454	4.8
99.08099	2.8
100.60690	1.2
101.02383	1.3
103.05466	2.1
105.04538	1.3
105.07035	49.6
107.04972	6.1
107.08598	33.2
107.09297	2.4
109.02897	4.6
109.06516	9.9
109.10155	16.2
111.04459	4.3
111.08093	4.9
115.05490	3.0
117.07017	19.3
118.59644	1.2
119.08588	39.2
121.06512	3.0
121.10144	22.6
123.04446	1.6
123.08080	4.7
123.11713	11.9
125.09637	4.5
127.03939	5.6
128.06238	3.3
129.05525	3.8
129.07007	14.4
130.07759	2.1
131.04889	2.2
131.08572	34.2
133.06508	3.4
133.10141	36.2
135.08069	4.8
135.11688	15.4
137.09645	2.6
137.13313	1.9
139.11266	1.6
141.07010	5.5
142.07791	3.7
143.08554	17.7
145.06511	3.7
145.10136	25.4
147.08057	2.9
147.11687	27.4
148.10997	1.3
149.09618	5.3
149.13266	10.4
151.03900	1.4
151.11194	8.1
153.06984	1.7
153.12750	1.3
155.08545	9.8
157.10147	18.1
159.08093	2.9
159.11702	24.2
161.09618	4.3
161.13261	13.0
163.03906	1.2
163.11195	3.3
163.14848	2.8
165.06996	1.7
165.12762	4.3
167.08582	4.2
169.10101	9.8
169.12289	1.3
171.11717	13.9
173.04456	12.2
173.09657	2.7
173.13231	11.1
175.11208	5.0
175.14874	5.1
177.12772	2.9
177.40984	1.2
179.08488	1.4
181.10146	6.2
183.11714	8.0
183.13745	1.8
185.09627	3.6
185.11765	1.8
185.13231	10.9
187.11227	3.2
187.13295	5.9
187.14899	5.8
189.11288	1.6
189.12814	1.9
191.14397	1.3
193.10429	1.3
193.12289	4.7
195.08040	1.8
195.11708	4.2
195.13858	4.2
197.09572	2.1
197.13292	6.0
199.11113	2.2
199.14813	5.7
201.12831	1.6
201.14754	2.0
201.16504	2.2
203.11014	1.4
205.10283	1.3
207.11777	2.0
208.13373	3.0
209.13271	3.6
211.13083	1.5
211.14868	4.4
213.14644	1.5
213.16458	3.3
219.11665	1.2
221.13351	1.5
223.15022	2.5
225.12779	1.8
225.14729	1.8
225.16620	1.6
227.12651	1.8
227.16383	2.5
229.14279	1.7
237.16440	2.6
241.19717	7.1
243.15858	5.7
257.17117	2.2
257.19299	3.7
259.20795	12.4
261.22144	6.0
267.15985	3.8
269.17612	4.5
271.20547	2.8
275.20090	4.4
283.20477	2.0
285.17212	1.3
285.22025	1.7
287.20120	1.6
289.21661	2.0
291.19669	2.5
295.20517	1.4
297.22046	1.9
299.18604	2.7
301.20535	2.4
303.23050	1.5
315.23120	3.2
317.24829	4.0
323.23602	2.3
325.21619	1.7
333.24210	8.2
335.25815	5.3
339.23221	1.7
349.21472	3.1
351.14322	2.2
365.23340	1.5
367.22659	3.5
369.24011	2.1
385.23624	2.0
393.31543	2.8
409.31137	3.1
411.32666	3.7
413.21857	3.6
435.32660	5.4
441.26352	1.6
445.24380	2.1
468.22296	1.4
483.34967	2.0
485.36218	3.7
501.35849	20.8
503.37326	55.8
509.36221	3.3
517.38666	1.7
527.37372	40.2
528.37494	1.7
529.38770	2.0
533.38336	3.8
541.35278	3.7
543.36157	1.9
559.39185	4.4
635.38947	3.8
653.40228	3.9
667.41217	4.8
671.41528	4.6
685.41064	5.5
689.42639	9.9
703.41589	6.8
721.47333	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	721.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
55.05512	21.3
57.03431	11.4
57.07078	3.0
59.06115	8.0
65.03938	4.3
67.05505	71.3
69.07075	17.4
71.04993	5.0
71.61018	3.4
79.05489	74.5
81.03410	6.8
81.07056	58.2
83.04984	13.5
83.08619	9.8
85.06526	2.4
85.07658	10.0
91.05478	53.8
91.06010	4.0
93.07042	64.2
95.04973	20.8
95.08047	3.8
95.08604	40.7
97.06541	4.9
97.10133	2.7
105.07030	32.1
107.04946	5.8
107.08581	26.1
109.06525	5.6
109.10161	12.4
116.19450	2.0
117.07010	10.8
119.08593	22.2
121.10149	13.2
123.08045	6.2
123.11671	2.7
125.09636	2.0
128.06271	3.0
129.07002	11.4
131.08577	8.8
133.10153	13.7
135.11699	7.6
143.08572	6.1
145.10107	11.8
147.11691	27.3
149.13315	2.3
156.56958	2.6
157.10269	2.4
159.11690	3.9
161.09634	3.5
161.13263	7.6
169.76630	2.1
171.11697	15.7
173.13255	2.9
189.12724	4.4
207.13785	18.3
261.22177	7.6
281.17468	41.2
335.25797	51.6
336.25964	2.9
448.21872	3.1
449.22623	2.6
475.20520	2.7
476.21423	3.4
477.22192	5.7
535.98010	2.1
536.23346	2.8
537.24011	4.0
541.38867	100.0
542.39178	4.5
563.25836	3.9
622.27924	3.8
623.28082	18.4
624.28461	49.2
637.29596	2.2
721.38727	3.1
721.51312	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	4.6
55.05513	19.6
57.03438	13.2
60.63052	2.7
62.26188	2.6
65.03939	2.8
67.05502	61.2
69.03402	2.4
69.07072	14.7
71.04965	3.4
79.05492	65.1
81.03413	11.6
81.07062	58.1
81.46392	2.7
83.04975	8.2
83.08627	8.0
85.06567	3.2
91.05479	45.2
91.06013	3.8
93.07043	70.6
95.04976	16.3
95.08607	34.9
97.06540	8.2
97.10128	4.5
98.20670	4.1
102.97536	2.2
105.07038	37.5
107.04945	3.1
107.08601	24.2
107.94877	2.6
109.06525	5.1
109.10155	14.8
109.19398	2.5
116.98238	2.7
117.07011	10.0
119.08574	22.0
121.10151	11.8
123.08078	4.1
123.11732	3.8
124.02986	2.6
129.07028	11.8
131.08578	9.7
133.10133	13.1
135.11685	7.6
143.08575	10.3
145.10150	13.8
147.11685	22.7
149.13252	4.0
157.10118	3.7
159.11678	7.1
161.13214	7.5
166.81087	2.8
171.11627	15.0
173.13286	5.0
189.12837	3.6
202.62157	2.8
207.13803	13.7
222.27644	2.7
229.75386	2.9
229.77422	3.6
261.22256	3.5
281.17447	31.0
335.25833	54.9
471.79947	2.6
541.39020	100.0
609.45288	3.9
628.87177	2.7
703.41376	3.1
734.85101	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	721.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	3.0
53.03938	10.6
55.01872	22.3
55.05516	47.0
56.96571	2.9
57.03442	21.7
59.04974	2.9
61.02920	9.8
65.03931	5.5
67.05507	92.8
69.03430	34.1
69.07066	35.7
70.15364	9.9
71.04993	15.2
73.02922	5.4
79.05493	84.2
81.03420	92.9
81.06587	5.4
81.07057	100.0
83.04991	27.3
83.08618	33.3
85.02908	31.9
85.06535	6.1
91.03957	6.4
91.05481	73.9
92.05830	4.0
93.07041	71.5
95.04970	46.5
95.08606	51.9
97.02888	26.7
97.06522	23.8
97.10162	15.4
99.04435	10.2
99.08075	4.1
103.05455	2.7
105.07034	68.7
107.04963	26.6
107.08595	47.2
109.02876	17.6
109.06534	14.9
109.10143	31.3
111.04437	16.8
111.08075	16.1
113.06011	4.8
115.05413	5.9
117.07009	33.1
119.08579	51.7
121.06516	14.1
121.10152	33.3
123.04477	3.7
123.08060	12.3
123.11693	10.1
125.09621	13.4
127.03905	16.2
128.06194	4.3
129.05508	4.3
129.07001	21.5
131.04916	5.2
131.08568	39.9
133.06508	9.5
133.10138	33.6
135.08047	13.0
135.11708	16.9
137.05939	2.5
137.09634	6.7
137.13268	3.6
141.06981	6.1
142.07803	5.2
143.08583	16.5
145.06436	6.9
145.10139	28.3
147.04424	3.5
147.08044	7.7
147.11696	32.7
149.09608	23.6
149.13243	9.3
151.07506	3.1
151.11185	6.1
153.12723	3.1
155.08559	10.8
157.10104	20.7
159.08067	4.2
159.11702	22.5
161.05998	2.7
161.09615	7.9
161.13289	5.1
163.11168	15.0
165.09087	3.8
165.12733	5.6
167.08514	4.5
169.10117	10.0
171.08031	3.4
171.11668	12.6
173.04445	12.5
173.09653	7.4
173.11780	4.9
173.13269	7.8
175.11189	14.4
175.14822	3.0
177.12793	3.5
179.08649	3.8
181.10091	3.3
181.12198	2.7
183.11697	6.7
185.13304	6.0
187.11258	5.8
187.14839	3.7
189.11217	8.2
189.12738	3.9
191.14410	3.1
193.12239	28.1
195.11696	3.8
195.13828	3.3
197.13304	6.1
199.14888	3.3
209.11674	3.0
211.11313	4.7
211.13258	34.0
219.13815	3.6
223.13225	3.1
227.12662	13.1
227.17767	3.4
229.14359	6.9
229.19417	4.8
239.17970	3.6
247.20590	3.5
257.19003	14.0
267.15887	16.1
269.17496	7.7
273.18600	5.4
275.20068	79.1
285.16959	14.1
287.19885	3.1
291.19559	10.0
293.21115	11.9
299.20193	3.9
313.21533	3.5
315.23071	2.8
317.20993	4.2
331.22668	4.1
341.21030	3.5
349.23752	32.9
367.24765	3.9
383.22409	4.8
413.17593	3.5
429.21274	7.1
431.28455	5.2
433.26053	13.3
437.25089	2.4
447.27597	2.7
449.30130	2.9
467.31369	2.8
523.33875	4.2
541.35303	52.5
559.36200	46.1
577.36853	4.7
667.38080	3.5
685.38361	3.7
703.40399	27.0
709.41156	2.7
721.24780	6.6
721.37866	46.5
722.24475	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	721.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.4
55.01864	15.3
55.05511	49.1
57.03435	15.9
57.07082	6.4
60.40076	4.8
66.26912	5.2
67.05508	98.0
69.03433	33.4
69.07064	43.0
71.04981	16.4
71.60281	5.4
71.60634	6.0
79.05492	74.5
80.78084	4.7
81.03417	61.3
81.07059	100.0
83.04981	32.0
83.08618	25.8
85.02911	16.8
85.06543	10.8
91.05485	68.6
93.07040	78.6
95.04982	25.5
95.08616	47.3
97.02912	22.3
97.06524	23.5
97.10169	27.4
99.04505	10.8
103.05458	6.3
105.06396	5.8
105.07047	58.4
107.04961	16.9
107.08593	55.6
109.02859	14.0
109.06522	11.2
109.10162	27.2
111.04447	13.2
117.07021	25.4
118.47736	5.0
119.04971	5.6
119.08588	41.5
121.06504	20.9
121.10140	24.5
123.04465	9.3
123.08067	14.0
123.11714	8.1
125.09620	21.7
126.41593	5.4
127.03906	13.1
129.05450	8.7
129.06984	16.5
131.08612	35.0
133.06494	14.6
133.10133	38.0
135.08092	13.8
135.11702	15.7
143.08524	12.3
145.06474	6.3
145.10124	24.6
147.08038	11.9
147.11696	24.4
149.09634	12.5
149.13248	14.0
151.11215	20.8
155.08585	7.0
157.10147	12.3
159.08090	5.4
159.11705	17.5
161.09654	7.5
161.13234	6.0
163.11165	9.3
165.12688	5.5
169.10110	7.4
171.11665	12.1
173.04419	5.9
175.11215	9.0
177.12767	9.3
183.11653	5.1
185.13304	6.7
189.11253	16.1
193.12309	12.0
195.13895	5.6
199.11134	5.0
223.13254	7.7
227.12810	17.1
245.19160	7.1
253.14381	12.7
253.89781	5.2
267.15985	11.0
269.17477	15.5
273.18524	34.2
275.20016	11.4
291.19553	71.1
347.22095	8.6
365.23148	29.2
413.21591	12.3
450.02621	5.3
467.31183	5.2
523.34119	6.7
541.35004	23.9
559.36261	63.7
560.35925	5.9
592.00751	5.0
647.92566	5.4
685.38989	8.0
703.40680	34.5
721.41376	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01858	1.6
55.05510	5.0
57.03434	3.2
59.04996	0.5
61.02927	3.9
65.03954	0.5
65.97556	0.4
67.05504	14.7
69.03431	4.3
69.07069	4.4
71.04994	2.3
71.61152	0.7
73.02913	3.6
79.05067	0.5
79.05493	6.2
81.03419	7.1
81.07057	10.0
81.71107	0.4
83.04992	1.3
83.08616	1.9
85.02906	5.0
85.06516	0.7
87.04435	0.5
91.03951	1.8
91.05479	7.7
93.07037	5.8
95.04967	2.9
95.08610	4.9
97.02892	5.7
97.06538	2.5
97.10162	1.3
99.04403	0.9
101.02386	1.8
103.03896	0.5
103.05492	0.5
105.07029	6.8
107.04973	1.7
107.08578	4.7
109.02888	1.2
109.06531	1.4
109.10162	9.0
111.04456	0.9
111.08054	0.8
115.05498	1.0
117.06992	2.3
119.08567	4.7
121.06474	0.9
121.10146	2.6
123.04469	0.5
123.08051	0.8
123.11706	0.6
125.09657	1.2
127.03914	1.3
128.06252	0.5
128.34431	0.4
129.07016	1.7
131.08578	3.1
133.06491	0.6
133.10118	3.6
135.08058	0.9
135.11682	1.7
137.09636	1.1
141.06960	0.5
142.07750	0.6
143.08603	1.1
145.10136	2.6
147.08009	0.5
147.11667	2.5
149.09613	1.0
149.13234	1.2
151.11182	0.5
155.08492	0.8
157.10150	1.0
159.08015	0.6
159.11716	1.7
159.88689	0.4
161.09685	0.6
161.13292	0.7
163.11203	1.0
165.09166	0.5
169.10059	1.0
171.11600	0.5
173.04454	0.7
173.09561	0.5
173.11761	1.8
173.13208	0.9
175.11151	0.6
179.14441	0.5
183.11824	0.5
185.04234	0.7
185.13231	0.5
187.11328	0.6
189.11224	0.7
189.12776	0.5
193.12273	1.3
195.09943	1.0
195.11673	0.7
197.13297	0.7
211.13268	0.7
211.15143	0.5
223.13280	1.2
227.12903	0.7
229.14316	1.0
239.18159	0.4
243.08379	2.8
257.18964	0.9
259.20746	0.4
261.22015	0.5
266.35165	0.4
267.15988	1.8
269.17566	0.6
273.18527	1.4
275.19946	4.0
275.22311	0.4
285.16959	0.6
291.19641	2.0
301.08896	0.6
331.18716	1.4
333.24753	0.5
335.25906	0.5
349.23825	1.7
365.23254	0.5
405.45718	0.4
413.17825	9.7
429.21414	0.8
503.37448	1.2
513.56470	0.4
527.37170	0.7
541.34973	2.7
549.26733	5.7
559.36346	1.9
703.40662	1.6
720.45319	0.5
721.37634	100.0
722.38110	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01870	7.9
55.05511	29.4
57.03434	10.0
57.07074	3.0
61.02927	14.6
64.70986	2.1
65.03931	5.3
67.05504	68.7
67.33459	2.1
69.03430	12.4
69.07067	26.3
71.05005	13.0
71.60356	2.8
73.02910	8.1
79.05491	60.0
81.03416	21.0
81.07057	65.9
83.04964	11.9
83.08626	12.1
85.02930	11.2
85.06046	2.6
85.06532	2.6
91.03944	5.3
91.05481	67.2
93.07041	63.0
93.07626	3.0
95.04955	21.2
95.08611	40.6
97.02914	11.9
97.06541	9.1
97.10178	7.9
99.08089	2.5
105.07035	63.0
107.04959	8.0
107.08598	29.3
109.02848	2.7
109.06522	5.2
109.10143	14.5
111.04447	2.8
111.08087	4.9
113.76095	2.1
117.07021	26.5
119.08575	42.1
119.09358	3.6
121.06537	3.4
121.10120	16.5
123.08089	6.2
123.11719	5.1
125.09608	4.1
127.03931	4.6
128.06255	4.1
129.07001	23.6
131.08572	33.4
133.10141	34.5
135.11673	15.5
137.09599	3.2
141.06985	6.4
142.07768	4.1
143.08524	16.4
145.10118	29.6
147.08037	3.3
147.11694	35.6
149.09648	4.4
149.13266	5.0
151.11194	2.8
155.08513	13.9
157.10127	17.5
159.11696	20.9
161.09692	4.1
161.13239	16.1
163.11235	4.5
167.08604	6.7
169.10080	16.5
171.11668	27.3
173.04445	4.9
173.09581	2.4
173.13228	16.5
175.11311	2.8
175.14815	6.0
177.12810	3.4
179.08540	2.6
179.14398	4.1
180.31287	2.3
181.10172	9.4
183.11650	18.2
185.13293	12.3
187.11078	2.5
187.14787	3.9
189.12752	7.0
195.11719	9.8
195.13493	2.6
197.13219	12.7
199.14745	10.1
207.11697	6.1
207.13829	9.4
209.13277	8.0
211.14854	6.2
213.16420	5.4
215.18062	2.6
221.13245	2.8
223.14897	5.4
225.16533	3.3
231.21333	3.3
235.14786	3.0
239.17805	2.5
241.19487	12.6
257.19052	4.5
259.20569	23.1
275.20102	22.9
279.15958	5.0
281.17395	26.9
309.21893	2.6
313.21854	2.9
315.23218	4.5
321.22034	3.2
323.23758	4.5
333.24231	19.3
429.31876	3.8
437.34354	9.9
447.32611	17.4
465.33585	14.7
483.34665	7.1
511.38181	3.3
521.36151	7.9
529.38812	8.3
539.37317	100.0
557.38483	58.4
665.39240	3.1
701.42548	14.0
719.44604	13.2
746.41901	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01870	7.9
55.05511	29.4
57.03434	10.0
57.07074	3.0
61.02927	14.6
64.70986	2.1
65.03931	5.3
67.05504	68.7
67.33459	2.1
69.03430	12.4
69.07067	26.3
71.05005	13.0
71.60356	2.8
73.02910	8.1
79.05491	60.0
81.03416	21.0
81.07057	65.9
83.04964	11.9
83.08626	12.1
85.02930	11.2
85.06046	2.6
85.06532	2.6
91.03944	5.3
91.05481	67.2
93.07041	63.0
93.07626	3.0
95.04955	21.2
95.08611	40.6
97.02914	11.9
97.06541	9.1
97.10178	7.9
99.08089	2.5
105.07035	63.0
107.04959	8.0
107.08598	29.3
109.02848	2.7
109.06522	5.2
109.10143	14.5
111.04447	2.8
111.08087	4.9
113.76095	2.1
117.07021	26.5
119.08575	42.1
119.09358	3.6
121.06537	3.4
121.10120	16.5
123.08089	6.2
123.11719	5.1
125.09608	4.1
127.03931	4.6
128.06255	4.1
129.07001	23.6
131.08572	33.4
133.10141	34.5
135.11673	15.5
137.09599	3.2
141.06985	6.4
142.07768	4.1
143.08524	16.4
145.10118	29.6
147.08037	3.3
147.11694	35.6
149.09648	4.4
149.13266	5.0
151.11194	2.8
155.08513	13.9
157.10127	17.5
159.11696	20.9
161.09692	4.1
161.13239	16.1
163.11235	4.5
167.08604	6.7
169.10080	16.5
171.11668	27.3
173.04445	4.9
173.09581	2.4
173.13228	16.5
175.11311	2.8
175.14815	6.0
177.12810	3.4
179.08540	2.6
179.14398	4.1
180.31287	2.3
181.10172	9.4
183.11650	18.2
185.13293	12.3
187.11078	2.5
187.14787	3.9
189.12752	7.0
195.11719	9.8
195.13493	2.6
197.13219	12.7
199.14745	10.1
207.11697	6.1
207.13829	9.4
209.13277	8.0
211.14854	6.2
213.16420	5.4
215.18062	2.6
221.13245	2.8
223.14897	5.4
225.16533	3.3
231.21333	3.3
235.14786	3.0
239.17805	2.5
241.19487	12.6
257.19052	4.5
259.20569	23.1
275.20102	22.9
279.15958	5.0
281.17395	26.9
309.21893	2.6
313.21854	2.9
315.23218	4.5
321.22034	3.2
323.23758	4.5
333.24231	19.3
429.31876	3.8
437.34354	9.9
447.32611	17.4
465.33585	14.7
483.34665	7.1
511.38181	3.3
521.36151	7.9
529.38812	8.3
539.37317	100.0
557.38483	58.4
665.39240	3.1
701.42548	14.0
719.44604	13.2
746.41901	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24497	0.4
55.05508	0.8
57.50325	0.5
67.05492	1.7
69.07073	0.6
70.73896	1.6
70.74268	0.5
71.08611	0.4
79.05491	1.9
81.07046	2.2
82.77402	0.5
83.08602	0.6
91.05450	1.0
93.07058	1.7
95.04944	0.9
95.08588	1.9
100.50205	0.4
105.06994	0.5
107.08614	0.8
119.08600	0.5
121.10180	0.6
131.97244	0.5
135.11710	0.8
145.10103	0.9
150.24486	0.5
163.11250	1.0
172.03947	0.5
197.10741	0.7
204.06665	0.5
209.10683	0.7
210.11479	0.8
211.08629	0.6
221.10855	0.7
223.08725	0.7
223.12399	1.1
224.13118	1.3
225.10307	0.8
225.13840	2.9
226.14592	1.0
227.12831	1.2
235.12209	0.7
237.10143	0.6
237.13937	1.8
249.14055	0.6
251.08192	1.7
270.13806	0.6
275.15509	0.5
276.16254	0.8
276.82376	0.5
283.15375	2.0
284.15741	0.7
301.11935	0.8
313.27466	1.9
314.27673	1.2
335.25891	0.6
338.12888	0.8
389.17902	0.8
403.15656	1.7
404.20490	0.7
417.17081	4.2
418.17606	3.0
429.17337	0.6
431.19095	2.3
432.19290	2.8
433.20023	5.0
443.18851	0.6
445.15924	0.8
446.20892	1.4
447.21921	10.7
448.22549	1.6
458.16925	0.7
459.22073	1.3
460.18890	0.8
461.19421	1.0
474.20099	1.1
475.21301	23.5
476.21985	5.3
477.23090	0.8
479.24747	0.7
487.21466	0.7
489.23224	0.8
503.20270	2.8
507.24072	0.8
519.23767	1.7
521.38422	1.3
522.38733	1.4
534.26117	0.8
535.23346	16.3
547.23145	2.3
549.24988	1.6
561.24963	5.4
562.25732	6.3
563.26538	3.1
579.25903	0.8
589.24316	0.7
590.24921	2.2
607.25433	1.3
621.27039	10.0
622.27844	100.0
623.28217	3.8
701.33563	1.5
701.47540	1.7
719.48364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67811	0.3
53.76597	0.2
59.32076	0.3
66.16708	0.3
66.23069	0.3
71.42133	0.3
91.05490	0.3
95.57109	0.3
120.08073	0.3
158.09654	0.3
196.09885	0.4
197.10699	0.4
207.09258	0.4
208.09940	0.5
209.10774	0.8
210.11507	0.7
211.08667	0.6
211.12344	0.6
221.10780	0.6
222.11542	0.7
223.08626	0.7
223.12273	1.8
225.10222	0.9
225.13844	3.6
226.14711	0.8
229.37077	0.3
234.11559	0.4
235.12289	0.8
237.13808	1.6
238.14673	0.5
239.15520	0.7
247.12312	0.3
249.13893	1.0
251.08206	1.5
263.08279	0.4
265.13498	0.4
269.12860	0.4
270.13794	0.4
275.15405	0.5
276.16147	0.5
277.06281	0.4
281.12753	0.3
293.47794	0.3
301.12305	0.6
309.08804	0.4
314.12912	0.5
316.14465	0.3
326.12906	0.5
326.16492	0.3
337.11786	0.5
338.12891	0.8
340.14493	0.5
352.14554	0.5
370.15479	0.3
374.16089	0.3
389.17813	0.9
391.19376	0.6
399.19357	0.8
400.18289	0.3
402.14651	0.4
403.14810	1.4
403.20041	0.4
404.20364	0.5
405.21521	0.5
412.16571	0.6
416.16391	0.6
417.16922	3.3
418.17801	2.4
419.18182	0.8
419.23007	0.5
420.22943	0.5
428.14703	0.3
429.17401	0.6
430.18494	0.6
431.19006	1.9
432.19537	2.7
433.20111	4.3
434.20538	0.4
443.18472	0.4
444.20248	0.6
445.16559	1.1
445.21121	0.5
446.16266	0.4
446.21539	0.6
447.21896	10.0
447.27774	0.5
448.22696	1.5
455.18692	0.4
458.17307	0.5
459.21698	1.3
460.18390	0.6
461.19492	1.0
461.24307	0.5
462.20773	0.6
473.19693	0.5
474.20712	1.2
475.21283	23.1
476.21945	4.3
477.23111	0.8
479.24338	0.5
487.21384	1.4
489.22937	0.8
493.22360	0.5
501.23099	0.4
503.20200	3.2
505.22427	0.7
507.24051	0.9
515.20563	0.5
517.22345	0.5
519.24005	1.6
521.22095	0.4
533.24548	0.4
534.26434	0.6
535.23370	15.7
536.23987	0.9
547.23450	2.4
549.25189	1.7
551.26617	0.3
561.24951	8.0
562.25623	3.5
563.26318	2.9
579.25623	0.5
589.24115	0.9
590.25281	1.2
607.25592	0.6
621.16870	0.6
621.27045	11.7
622.27814	100.0
623.28180	6.8
719.45282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01875	5.0
55.05260	1.3
55.05513	17.2
57.03440	11.7
57.07075	1.9
59.05004	4.6
61.02926	2.5
65.03934	2.5
67.05504	100.0
69.03433	5.6
69.06720	1.4
69.07067	18.0
71.04998	5.8
73.02906	1.4
79.05495	23.0
81.03428	5.1
81.03835	0.9
81.07054	38.8
83.04971	5.0
83.08616	12.3
85.02891	4.1
85.06541	4.6
91.03971	2.0
91.05478	24.7
93.06467	1.7
93.07043	23.9
95.04955	5.3
95.08611	19.1
97.02898	3.5
97.06522	6.8
97.10178	7.6
98.20767	1.7
99.04456	1.9
99.08121	1.0
103.05470	1.4
105.07033	16.6
107.04972	4.8
107.07867	1.2
107.08593	21.6
109.02887	1.5
109.06517	3.3
109.10158	72.3
110.07188	2.4
111.08059	5.8
117.07006	6.9
119.08573	16.4
121.06480	1.8
121.10142	7.9
123.08089	2.5
123.11716	2.5
125.09636	7.0
127.03896	2.4
128.06271	1.3
129.06995	2.6
131.08568	9.8
133.06470	1.8
133.10132	9.9
135.08034	2.2
135.11702	6.1
137.09602	5.3
143.08531	2.0
145.06653	0.9
145.10123	9.7
147.11725	6.1
149.09639	7.5
149.13290	4.6
155.08560	1.7
155.10687	2.9
157.10121	1.9
159.11736	6.7
161.13298	1.7
163.11169	5.6
165.12727	0.9
171.11687	1.5
173.04425	1.3
173.11760	19.3
173.13268	3.1
177.12802	1.9
179.14394	2.4
183.11662	1.5
189.11266	5.1
189.12735	1.2
195.13831	1.7
201.12825	1.1
201.61952	1.0
217.15858	0.9
220.80128	1.0
227.12782	16.2
229.14351	55.9
239.17970	3.0
241.11157	0.9
247.20688	1.4
255.15938	3.2
257.18829	5.5
259.12149	1.3
267.15860	1.2
269.17517	7.6
275.20053	20.2
276.20334	1.0
293.17874	0.9
293.21039	2.0
319.11298	0.8
325.19986	1.0
330.45316	0.9
336.68991	0.8
349.23676	18.1
350.17581	0.8
350.24313	1.1
367.17929	2.1
367.24850	0.9
368.18317	1.9
373.29648	0.8
383.24481	1.4
389.18289	1.1
399.23859	3.8
407.27859	2.4
409.25769	11.9
423.27417	44.0
424.08447	0.9
465.61368	0.9
503.33676	28.1
521.35138	5.2
567.31610	1.7
607.91803	1.0
718.46893	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	718.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11004	0.5
53.03946	1.2
54.00296	0.6
55.01863	2.2
55.05482	0.7
57.03432	0.6
59.65390	0.6
61.96707	0.6
65.03919	3.5
66.04738	0.8
67.05503	2.5
69.03432	3.2
69.07082	1.0
70.06590	1.9
71.05027	1.3
71.60529	0.9
72.08142	0.9
75.04475	1.8
78.04724	1.2
79.05497	4.3
80.41619	0.6
81.03413	2.7
81.07053	1.8
84.08138	1.7
85.02910	5.0
86.09694	1.8
86.44864	0.6
89.03908	1.1
91.05496	10.2
93.03413	6.3
93.07027	3.9
94.04190	1.4
95.04971	6.5
95.08601	1.2
97.02876	1.7
97.06536	2.0
98.97571	0.6
103.05470	19.9
105.03375	1.2
105.04588	0.6
105.07033	4.5
106.04177	11.0
107.04964	6.5
107.08574	0.9
108.02096	0.9
108.31530	0.5
109.02872	1.6
109.06516	2.0
111.04444	2.6
111.08116	0.6
115.05441	3.6
116.07143	0.7
117.03368	2.1
117.07034	3.6
118.04171	4.6
119.04964	2.7
119.08581	1.4
121.02842	0.8
121.06517	14.3
122.03681	3.2
123.04434	2.8
123.08126	0.7
124.05218	0.8
125.05997	6.5
127.03941	1.9
129.06995	1.1
129.10217	1.8
130.04123	1.1
131.04935	32.0
131.08565	1.3
132.05717	1.5
133.02869	1.7
133.06491	5.9
134.03616	2.0
135.04414	2.1
135.08043	2.1
136.07582	0.8
137.05983	54.2
138.03149	0.7
139.07556	1.4
141.05467	1.8
143.04686	1.0
143.05745	5.4
144.05692	0.9
145.02846	5.2
145.06493	4.4
146.03513	0.8
147.04433	2.7
147.08017	1.4
148.05196	10.0
149.05997	25.0
151.03914	68.5
151.04987	3.8
151.07550	2.2
153.05473	2.8
153.09108	6.5
155.07054	0.6
157.06551	1.3
159.04436	1.0
160.05223	1.7
161.06020	3.9
162.01382	1.6
163.03920	2.7
163.07553	23.5
165.05515	3.5
165.06837	0.8
165.09102	1.1
166.06111	0.8
167.07057	19.5
167.08331	0.9
171.04379	1.1
171.06554	1.6
172.05191	0.7
173.06009	4.2
174.06763	1.2
175.03932	1.8
175.07541	5.1
176.04655	3.0
177.05481	28.6
177.09108	1.8
178.05878	2.5
179.01601	0.8
179.07059	1.9
180.07628	0.6
181.04977	23.7
181.08580	14.2
187.07545	2.4
189.05539	1.2
189.09145	1.3
190.00949	0.7
191.07039	100.0
192.07768	1.7
193.03178	3.2
193.04846	1.1
193.08572	2.8
195.06552	2.7
203.07011	4.9
205.06673	1.1
205.08606	3.6
207.06476	4.7
207.08250	0.9
207.10260	0.9
208.01846	1.0
208.06853	0.7
208.09818	0.8
209.08099	85.3
211.07530	0.7
213.05727	0.7
215.06941	0.7
217.08583	1.0
219.06491	0.7
219.10103	3.5
221.08023	1.3
223.04222	14.2
223.06213	1.0
227.06950	0.7
231.06538	1.7
233.08041	2.9
234.06850	0.9
235.09650	3.4
237.09132	2.1
239.10825	0.9
245.08168	0.7
251.07138	0.9
259.09570	0.7
263.06592	1.0
263.09180	16.2
265.08701	1.9
267.10184	2.1
271.06000	0.6
277.08691	1.2
279.10254	1.1
293.08099	1.1
295.09500	1.5
297.07767	0.7
297.11313	1.3
299.13013	0.9
300.09174	0.8
305.08359	0.8
307.09579	1.0
309.11267	1.7
312.09091	1.6
325.10724	2.2
327.12317	3.3
329.13757	1.9
330.10135	0.9
337.10602	1.5
339.10730	3.6
340.11133	1.0
341.13715	1.1
351.12082	1.5
355.11768	9.2
357.13312	1.6
359.14813	1.1
369.13165	3.4
385.12961	2.0
387.14420	26.0
417.15784	3.0
479.16391	1.3
547.19250	1.3
579.22284	1.6
642.26038	0.7
686.24915	1.7
718.27637	1.1
718.47296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
54.71187	1.1
55.01865	4.0
55.05499	2.0
55.46584	1.0
56.04996	1.1
57.03436	2.1
61.02916	1.8
62.06074	1.5
65.03933	3.7
67.05495	4.0
68.99778	1.6
69.03423	4.9
69.07054	1.3
69.69075	5.8
70.03765	1.0
70.06608	1.3
71.04979	1.1
75.04471	1.8
78.04696	1.6
79.05504	5.7
81.03400	5.4
81.07042	4.3
85.02907	7.0
85.06553	1.1
86.09692	1.2
89.06005	1.4
91.05479	12.7
93.03398	8.5
93.07050	5.2
94.04188	1.6
95.01254	1.0
95.04964	8.0
95.08595	3.0
97.02910	1.3
97.06534	3.1
103.05467	22.7
105.03416	1.4
105.07040	5.4
106.04176	9.3
107.04937	6.8
107.08576	2.5
108.02110	1.9
109.02869	1.8
109.06528	1.8
111.04429	2.9
115.05448	4.0
117.03373	3.4
117.07006	3.5
118.04146	4.0
119.04950	6.4
119.08561	2.4
121.06507	14.7
121.10181	1.7
122.03652	3.4
123.04427	5.0
124.05272	1.2
125.05978	5.8
127.03899	3.6
129.06995	2.4
131.04929	38.5
131.08548	1.4
132.05717	2.0
133.02837	3.0
133.06491	5.3
133.10078	1.5
134.03629	1.5
135.04379	2.3
135.08057	2.9
137.05975	70.2
141.05476	3.1
143.05753	5.3
144.05736	1.4
145.02844	4.0
145.06487	4.2
146.03532	1.1
147.04414	4.9
147.08038	2.2
148.05183	11.9
149.05983	26.2
149.09689	1.1
151.03903	73.7
151.04974	4.7
151.07532	3.5
152.04556	1.1
153.05458	4.0
153.09082	7.5
158.20244	1.0
159.04417	1.4
160.05180	1.7
161.05951	7.3
162.01344	1.5
162.06648	1.1
162.09161	1.5
163.02513	0.9
163.03905	3.8
163.06140	1.5
163.07526	23.2
165.05484	3.3
165.06769	1.1
165.09053	2.1
167.07034	23.3
171.04416	1.7
173.06009	4.5
174.06607	1.4
175.03922	4.3
175.07558	4.6
176.04630	2.0
177.05466	31.2
177.08980	1.2
178.05905	1.3
179.07039	2.8
181.04976	26.8
181.08568	13.4
187.07529	3.4
189.05496	3.1
189.09148	1.8
191.07025	100.0
192.07867	2.1
193.03238	1.9
193.04880	1.9
193.08676	2.8
193.24312	0.9
195.06526	3.1
201.05487	0.9
203.06938	5.0
205.06789	1.1
205.08580	3.5
206.07298	1.1
207.06531	9.1
207.10153	1.8
208.64186	1.0
209.08084	85.3
210.08551	1.1
217.08604	2.5
219.10181	3.4
223.04199	16.7
223.09642	1.5
233.08107	3.5
235.09631	2.4
237.09128	1.1
249.09149	2.0
263.09174	16.1
265.08533	2.3
267.10214	2.3
267.15863	1.4
277.08762	2.3
287.05463	3.8
288.05740	1.9
293.07950	1.4
295.09558	1.8
309.11124	2.1
312.09229	1.3
325.10443	1.3
327.12076	3.0
329.13943	1.3
337.10654	1.6
339.11182	2.8
355.11810	7.8
357.13400	2.7
369.12958	4.3
387.14374	29.5
388.14752	1.2
397.16489	1.2
417.15857	2.1
460.19275	1.1
489.73804	1.0
538.33441	1.9
579.21820	1.8
672.85028	1.1
678.44580	1.1
686.24792	2.1
717.35083	2.3
718.36316	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	717.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	3.5
53.03938	14.1
55.01867	16.4
55.05513	41.0
57.03426	16.2
61.02923	5.1
65.03941	6.5
67.05508	100.0
68.05850	3.4
69.03435	26.0
69.07071	39.5
71.05006	13.3
73.02905	2.9
79.05494	100.0
81.02934	2.7
81.03422	67.1
81.07059	92.3
82.07394	2.9
83.04980	18.4
83.08612	12.6
85.02908	21.3
85.06570	6.4
91.05486	99.8
92.05792	3.3
93.07049	91.7
95.04974	39.2
95.08047	5.2
95.08607	53.4
97.02894	20.2
97.06511	18.8
97.10158	11.1
99.04473	9.1
105.04539	3.3
105.07037	78.7
107.04955	19.8
107.08598	47.2
109.02885	14.3
109.06534	14.4
109.10159	32.3
109.69547	2.6
110.10538	3.5
111.04441	4.5
111.08083	6.4
115.05463	6.9
117.07031	30.2
119.08587	48.4
121.06513	8.5
121.10148	26.8
123.04464	3.6
123.08063	13.0
123.11729	4.1
125.09618	7.7
127.03895	13.1
128.06203	10.8
129.07010	28.4
130.07750	3.2
131.04932	3.6
131.08595	30.3
133.06454	8.4
133.10126	39.5
135.08031	8.2
135.11716	14.3
137.09573	6.4
141.06998	7.9
142.07750	3.5
143.08574	19.8
145.06467	7.4
145.10127	36.2
147.08072	5.4
147.11687	41.8
149.09612	14.4
149.13301	6.0
151.11145	6.4
155.08580	11.0
157.10152	12.4
159.08049	7.7
159.11719	19.9
161.09680	5.5
161.13234	12.0
163.11194	9.8
165.12762	3.0
169.10114	11.7
171.08025	3.8
171.11688	30.3
173.04491	18.4
173.09628	5.6
173.11919	3.2
173.13275	11.1
175.11240	5.3
175.14923	3.4
176.49612	3.0
177.12738	7.0
179.14200	3.5
181.10156	6.7
183.11743	8.1
185.09644	5.6
185.13240	9.4
187.11200	5.7
189.11192	6.7
189.12778	10.9
197.13219	6.3
198.52281	3.0
201.12759	3.6
207.13850	16.3
211.11171	3.4
211.14937	4.1
225.14758	3.3
227.12669	7.0
229.14322	4.4
229.19496	4.8
239.18002	4.6
247.20621	5.3
253.14311	5.4
257.18976	15.3
275.20078	73.5
279.15726	4.5
281.17465	39.7
287.16263	3.8
291.19684	3.9
292.19775	3.1
293.20993	7.3
331.22858	3.3
349.23846	23.1
351.34705	2.8
401.23141	3.4
407.20346	3.0
419.23987	2.8
520.33710	5.3
527.36957	3.8
537.35760	9.0
555.36884	40.7
556.37500	3.8
635.39459	4.6
670.26379	3.7
699.40607	8.6
717.45209	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	717.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.5
55.01859	10.8
55.05271	3.1
55.05513	33.0
57.03430	11.2
59.86324	2.4
61.02915	4.1
62.91435	2.4
63.43204	2.3
65.03933	6.2
66.99406	3.0
67.05503	88.9
69.03431	30.5
69.07067	32.3
71.03838	2.7
71.04984	12.0
78.18684	2.9
79.05495	100.0
81.03420	61.8
81.07057	79.6
82.18943	2.6
82.39684	2.5
83.04980	21.1
83.08610	15.9
85.02908	13.1
85.06531	4.9
91.05479	82.3
93.07041	83.6
95.04964	34.9
95.08608	46.1
97.02896	16.5
97.06525	15.5
97.10181	5.1
98.21535	6.2
99.04446	10.2
99.08043	3.1
105.07031	74.3
107.04973	12.5
107.08602	43.7
109.02892	14.0
109.06513	13.5
109.10159	18.6
111.04422	4.8
111.08055	6.3
113.09596	3.5
115.05430	4.8
117.07025	27.0
119.08591	38.2
121.06499	9.6
121.10122	16.6
123.08065	8.4
123.11676	7.0
125.09639	3.8
127.03944	13.0
128.06245	6.2
129.06964	25.5
130.07820	3.6
131.04865	3.9
131.08577	29.0
133.06488	6.1
133.10141	31.3
133.29106	2.9
135.08044	6.3
135.11697	7.5
137.09605	3.7
141.06960	8.7
142.07819	4.1
143.08533	17.6
144.72658	2.6
145.06525	5.0
145.10118	25.4
147.08072	8.1
147.11705	32.8
149.09625	13.8
149.13257	11.7
155.08601	7.3
157.10141	10.7
159.11719	18.7
161.09586	6.7
161.13202	13.1
163.11153	9.2
165.12550	3.0
167.08574	4.1
169.10194	6.2
171.08025	3.7
171.11662	27.1
173.04463	17.6
173.05835	3.6
173.13300	8.4
175.11200	3.1
177.12784	6.4
179.14374	3.7
181.10103	4.9
183.11687	5.9
185.09685	2.6
185.13222	2.7
187.11139	3.4
189.12775	6.4
195.11646	3.1
197.13272	4.8
199.06023	3.2
199.11351	3.9
207.13783	18.0
215.17964	3.3
225.14754	3.6
227.12648	5.4
229.19350	3.3
232.67918	2.8
247.20500	4.0
257.18939	12.2
275.20084	48.5
279.15985	3.3
281.17426	43.1
287.16238	3.3
293.21164	6.4
313.21851	2.8
341.20984	3.2
349.23618	17.5
419.23895	3.5
459.31018	3.3
475.30832	23.7
527.37433	4.6
537.35925	3.6
537.50201	2.6
555.37000	35.6
556.36713	3.8
573.36768	3.5
619.34467	6.2
639.38208	3.1
690.07251	3.6
699.40350	8.5
717.44934	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	717.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.5
57.03420	2.0
61.02933	4.8
66.17163	0.7
67.05503	5.7
69.03419	4.6
69.07052	1.9
69.48632	7.0
73.02920	4.4
79.05478	3.6
81.03413	1.7
81.07068	4.9
85.02896	4.4
91.03941	2.5
91.05471	3.3
93.07031	6.1
95.04960	1.0
95.08575	3.8
97.02891	5.3
97.10124	0.8
99.04457	1.1
101.02393	1.6
105.07034	1.1
107.08596	4.0
109.10167	1.4
119.08586	1.4
121.10117	1.8
123.00578	0.9
127.03913	1.8
135.11647	2.2
145.10085	1.3
163.11183	0.9
185.04257	1.2
221.11444	2.4
243.08430	2.0
439.19421	4.1
519.29248	8.4
559.49097	1.0
584.29437	1.0
678.19269	1.0
717.41638	100.0
718.42285	5.4
745.79822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.6
55.01872	27.4
55.05516	29.0
55.89996	3.9
57.03428	9.7
62.53796	3.6
65.03928	4.6
67.05503	75.5
69.03422	18.3
69.07073	40.5
70.20885	3.8
71.04968	4.8
71.60893	6.4
75.18589	3.7
79.05492	68.3
81.03415	36.1
81.07052	79.3
83.04958	18.0
83.08599	11.7
85.02889	11.8
91.05474	89.8
93.07048	67.0
95.01315	12.5
95.04965	28.8
95.08604	53.4
95.37815	3.7
97.02884	11.6
97.06525	40.7
97.10185	5.6
105.07025	100.0
107.04937	27.2
107.08592	30.6
109.02852	8.9
109.06512	11.6
109.10146	17.1
109.19616	3.7
115.05425	5.1
117.07023	28.9
119.08585	51.8
121.06503	6.9
121.10145	10.8
123.04392	7.3
123.08058	8.9
128.06190	4.0
129.06975	16.5
131.04942	5.5
131.08571	36.7
133.06444	6.2
133.10127	49.6
135.08020	9.2
135.11674	11.5
137.09531	5.2
139.03877	4.4
141.06998	7.7
143.08557	13.4
145.06470	8.5
145.10130	30.7
147.08003	6.4
147.11679	32.4
149.09590	11.7
155.08511	6.8
157.06419	5.2
157.10080	6.6
159.11699	16.2
161.09595	4.6
161.13255	12.5
163.11169	9.0
164.52463	5.6
169.10120	6.0
171.08026	5.4
171.11737	19.6
173.04451	6.7
173.13281	7.6
175.11017	4.0
177.12685	6.2
177.49832	3.7
179.14310	12.8
181.10178	5.4
183.11584	5.2
185.13255	5.0
189.12828	6.6
197.13354	5.2
207.13748	4.9
257.18973	6.4
269.15295	6.4
275.20065	90.5
279.15921	11.5
281.17474	5.8
287.16324	13.2
293.21136	6.0
349.23776	35.8
425.21530	11.2
537.35510	5.6
555.36694	44.6
596.93628	5.0
597.38934	5.1
631.37500	11.0
635.39313	6.2
694.03864	4.2
699.40656	15.8
717.45319	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
54.43043	0.8
55.01880	5.8
55.05513	12.4
57.03436	7.7
57.07077	1.8
59.04998	4.0
61.02925	3.0
65.03944	3.1
67.05504	100.0
67.71706	0.9
69.03431	5.3
69.07066	9.5
70.06384	5.5
71.04991	6.0
73.02894	1.7
77.03896	1.2
79.05493	22.3
81.03425	6.3
81.07055	44.8
83.04990	7.4
83.08610	9.2
85.02915	4.7
85.06547	5.7
90.61438	0.9
91.03974	1.4
91.05485	35.4
93.07043	24.4
95.04958	8.6
95.08607	13.8
97.02891	2.9
97.06525	5.8
97.10160	1.2
99.04461	3.3
99.08068	1.7
105.07034	28.9
107.04951	5.6
107.08597	24.8
107.09296	1.6
107.85234	1.2
108.82555	0.9
109.02871	1.5
109.06510	6.7
109.10153	91.0
110.10504	1.3
111.04440	1.4
111.08092	4.3
112.08821	0.9
113.06004	1.9
115.07551	1.1
117.07024	3.6
119.08572	11.8
121.06528	4.0
121.10161	5.2
123.08048	2.9
123.11693	6.2
125.09621	1.5
127.03833	1.1
127.07523	2.4
128.06227	2.3
129.06999	1.9
131.08566	7.7
133.06499	3.4
133.10130	48.2
134.10492	1.1
135.08064	5.0
135.11711	2.7
137.09610	4.1
143.08595	3.8
145.10135	4.3
147.08055	1.9
147.11700	2.9
149.09619	3.4
149.13310	1.0
151.11186	22.5
155.10649	1.1
157.10147	2.2
159.08009	1.1
159.11697	2.1
161.09656	5.4
161.13300	2.3
163.11163	1.5
169.10176	1.0
169.12274	4.0
171.11687	2.1
173.11754	15.5
173.13156	2.2
175.11194	2.3
177.12701	1.2
179.10695	1.2
215.12799	3.2
229.14343	59.6
245.19016	2.4
251.12843	2.5
253.14343	87.5
254.14735	1.2
255.17519	1.3
263.20071	3.5
273.18497	18.6
275.20117	1.3
291.19540	16.8
309.20624	1.9
312.04858	1.1
347.22263	7.1
365.23233	20.6
423.24042	1.3
425.25317	37.7
501.32053	6.5
519.33203	54.4
520.33240	3.3
521.25720	1.1
555.36804	1.9
716.44220	1.2
717.44867	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	716.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01869	4.7
55.05510	20.4
57.03441	9.4
57.07066	1.4
59.05002	5.1
61.02920	2.8
65.03943	2.4
67.05503	96.7
68.05821	0.9
69.03432	7.1
69.07070	22.7
71.04991	4.2
73.02921	1.0
79.05492	18.5
81.03424	4.6
81.06576	1.6
81.07056	28.9
83.04987	3.4
83.08619	13.1
85.02910	3.1
85.06539	3.2
91.03967	1.4
91.05481	18.0
93.07043	18.3
95.04974	7.1
95.08600	13.2
97.02892	9.6
97.06547	2.5
97.10167	12.4
98.66239	0.7
99.08138	0.8
104.58941	0.7
105.07026	11.1
107.04973	5.9
107.08594	13.8
107.09291	1.1
109.06498	3.4
109.10153	79.6
110.10499	0.7
111.08074	5.1
113.06043	1.2
115.05480	1.0
117.07018	6.0
119.04954	1.7
119.08583	14.1
121.05633	0.7
121.06528	2.8
121.10134	5.9
123.08070	2.9
123.11783	1.4
125.09633	8.8
127.03895	0.7
129.07025	2.6
131.08578	6.6
133.06494	2.7
133.10133	7.3
134.07254	0.9
135.08054	3.5
135.11693	2.0
137.09572	4.3
143.08560	3.1
145.06514	1.0
145.10133	3.9
147.08025	5.5
147.11679	2.4
149.09688	2.4
149.13255	1.5
151.11172	2.1
155.10667	3.2
157.10150	2.1
159.08067	1.2
159.11728	2.0
161.09587	2.0
161.13205	1.1
163.11140	1.1
169.12286	0.8
171.11748	1.4
173.11737	20.4
174.12154	0.7
175.11145	1.8
177.12733	1.7
185.13235	1.2
189.11238	2.9
189.12750	1.0
190.22777	0.6
195.13852	1.0
205.12268	1.4
211.13278	1.7
223.13292	18.0
227.12802	5.2
229.14349	72.3
230.14764	1.5
245.19063	1.9
249.14880	3.3
253.14391	4.2
255.17555	1.4
263.20218	0.9
267.15848	1.5
273.18463	14.4
283.15179	0.8
291.19531	100.0
292.19888	2.2
309.16742	0.8
309.20526	1.2
335.25305	0.7
347.22229	2.5
363.10736	0.7
365.23236	38.2
399.24075	0.9
421.25638	0.8
425.25275	1.7
439.26886	3.0
501.32092	2.4
519.33179	95.9
520.33563	5.2
648.64264	0.8
735.53400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
61.02929	0.5
67.05502	1.0
69.03436	0.6
69.07059	0.4
70.06580	0.2
70.73243	0.5
70.73608	0.2
73.02915	0.3
74.75287	0.2
79.05502	0.6
81.03416	0.5
81.07054	1.0
83.01104	0.8
83.04960	0.3
85.02895	0.6
91.03980	0.2
91.05471	1.0
93.06535	0.2
93.07037	0.9
95.01125	0.3
95.08607	0.7
97.02854	0.6
97.06554	0.2
99.78024	0.2
99.90847	0.2
101.88544	0.2
105.07038	0.7
107.08598	0.6
109.02857	0.3
109.10157	0.4
110.03447	0.2
119.04991	0.2
119.08617	0.3
121.10136	0.4
123.04314	0.2
125.02097	0.3
127.03828	0.3
129.07054	0.2
131.08615	0.3
133.03465	0.5
133.10143	0.4
133.33568	0.2
135.11699	0.3
137.05995	0.4
138.89684	0.2
139.03775	0.3
141.05237	0.4
143.05640	0.3
143.08618	0.2
145.10182	0.3
147.11734	0.3
149.09618	0.2
155.01956	0.3
155.03120	0.2
156.03929	0.4
157.04776	0.6
161.03000	0.3
167.07109	0.4
169.04759	0.2
169.10181	0.2
173.02988	0.6
175.04060	0.3
183.86841	0.2
184.03462	0.2
185.04227	2.4
201.03772	1.6
201.05472	0.3
203.05296	2.6
207.06531	0.4
227.05234	0.2
241.06956	0.3
243.08517	0.3
257.06348	1.0
259.07935	2.5
261.29761	0.2
275.07425	0.5
277.07724	0.2
287.05447	0.4
299.18668	0.3
301.08954	0.4
305.08185	0.3
315.17880	0.2
317.08459	0.8
317.19791	0.7
319.10010	1.4
321.16577	0.3
329.08450	0.4
331.10052	2.5
335.20657	0.8
345.11493	0.4
347.09509	4.1
359.13144	0.4
363.09042	2.0
365.06186	0.2
365.10565	3.8
373.14877	0.7
377.21802	0.2
386.30588	0.2
387.16599	0.3
391.24438	0.8
401.17816	0.5
413.17523	0.2
415.19363	1.3
421.13165	2.7
425.44519	0.2
437.12759	0.6
441.20584	0.4
453.21033	0.5
455.22745	1.0
475.12155	0.2
478.72733	0.2
483.21973	2.0
493.15280	3.8
507.17029	0.7
521.18359	1.0
535.20081	1.4
535.28412	0.7
549.21301	0.3
553.29822	13.8
563.23163	0.9
577.24646	1.9
603.26636	0.3
617.27686	1.0
625.31909	3.0
645.27496	1.3
661.57721	0.2
697.33826	0.4
715.35095	100.0
716.35730	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
57.03422	0.5
61.02917	0.5
67.05507	1.7
69.03427	0.6
69.07093	0.3
71.05015	0.5
71.60003	0.4
71.60398	0.3
77.70901	0.3
79.05506	1.4
81.03432	0.8
81.07039	2.1
83.08679	0.4
85.02933	1.0
91.05486	1.4
93.07051	1.1
95.04946	0.3
95.08615	0.9
97.02861	0.7
97.06544	0.6
99.04488	0.6
105.07034	1.1
107.08622	0.6
109.02912	0.4
109.06506	0.4
109.10168	0.8
117.07005	0.4
119.08565	0.8
121.10207	0.6
125.09618	0.5
127.03965	0.5
131.08543	0.6
133.03510	0.5
133.10147	0.3
137.06041	0.5
143.01794	0.4
143.05603	0.4
147.11705	0.4
149.13507	0.3
161.03017	0.4
167.07161	0.5
173.03024	0.9
175.03934	0.5
185.04263	0.4
197.45348	0.3
203.05376	1.8
207.06563	0.5
259.07889	1.6
277.07886	0.4
305.07614	0.5
317.19763	1.3
321.15610	0.4
335.20694	0.4
347.09586	0.8
365.10577	3.1
391.24472	1.3
421.13165	1.2
471.20908	0.5
523.25580	0.4
553.29840	19.3
588.06934	0.3
625.32147	1.6
715.35156	100.0
716.35779	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3299
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
53.03949	1.2
53.12389	0.8
55.05518	1.9
56.96567	2.5
57.00888	0.9
63.94477	0.9
67.05493	4.3
69.03435	1.6
70.06623	0.9
71.60079	1.2
79.05514	3.9
81.03418	2.1
81.07063	4.4
83.08624	1.6
91.05501	3.4
93.07068	3.2
95.04982	2.5
95.08651	2.2
96.53435	0.8
97.02914	0.9
97.06522	1.1
97.10223	0.9
98.97618	3.6
99.08141	0.9
105.07045	1.6
107.08598	1.9
109.06519	2.5
109.10183	1.6
111.08041	1.0
113.06032	1.3
116.98596	2.2
119.08620	2.4
121.10151	1.2
128.98657	1.1
129.07056	1.2
131.00206	2.5
131.08577	1.6
134.05179	1.0
134.99687	2.0
135.08075	1.3
136.06273	1.3
143.08470	1.0
145.10060	1.3
146.99742	2.2
147.11607	1.0
149.01265	4.0
149.09654	1.1
158.99649	1.5
161.09816	0.9
167.02373	1.4
170.99728	1.7
177.00800	2.8
189.00783	2.4
219.01823	1.7
255.17444	1.1
261.02838	1.0
273.18546	1.5
279.15784	1.2
291.19608	2.8
293.05463	3.0
311.06610	1.2
317.17810	2.5
321.04977	4.6
437.09891	2.2
455.10788	3.1
576.21930	1.1
715.32904	100.0
716.33643	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	715.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.2
62.28371	0.8
65.28629	0.8
65.82597	0.8
69.03412	1.4
70.06557	0.9
71.59248	1.6
80.94072	0.8
83.05003	1.0
85.02900	2.4
89.03890	1.0
95.05033	0.9
97.53412	0.9
98.97619	1.8
119.04993	2.1
127.03913	1.0
131.65134	0.8
134.99646	0.9
135.04382	1.4
141.00597	0.9
145.02850	1.0
145.04887	1.0
147.04419	4.1
154.94171	1.0
161.01237	2.2
163.03879	6.2
172.95267	2.2
177.00760	1.1
186.99115	1.4
189.00816	1.0
190.96265	1.5
201.00674	1.4
237.02937	2.1
241.84462	0.9
279.03888	0.9
316.99567	1.8
334.66547	0.8
335.00314	1.6
361.04883	1.0
373.02417	4.2
377.06531	1.2
463.11853	1.0
497.55103	1.0
535.07312	2.2
669.17169	1.2
697.15906	5.6
715.16382	100.0
716.17047	2.6
749.56647	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	714.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05510	5.0
56.05043	4.0
57.07070	2.5
60.04516	1.9
61.02942	0.6
65.03941	0.5
67.05507	11.2
68.05032	0.9
69.03410	1.1
69.07073	6.0
70.06580	1.8
71.08622	1.8
71.33549	0.9
79.05066	0.6
79.05495	7.9
80.05015	2.9
81.03414	0.6
81.05792	1.3
81.07057	9.6
82.06579	6.8
83.08607	4.2
84.08147	0.5
84.56529	0.4
85.02901	2.2
85.10191	1.0
85.88091	0.5
91.05481	7.0
93.07043	8.8
94.06570	16.6
95.04968	1.3
95.07349	7.9
95.08613	7.9
95.65992	0.4
96.08131	5.6
97.02888	0.5
97.10177	2.5
98.06013	0.6
100.07636	0.4
105.07021	5.1
107.08590	5.6
108.08100	2.5
108.88817	0.4
109.10147	3.8
111.11738	0.9
119.08575	6.5
121.10143	5.7
122.09671	3.2
123.11716	1.2
124.11188	0.7
133.10143	3.5
134.09697	0.6
135.11702	3.0
136.11264	0.6
137.13251	0.5
147.11674	1.3
149.13239	1.4
151.14796	0.7
161.13223	0.9
163.14708	0.5
175.23244	0.4
177.45255	0.5
191.17816	0.5
196.33430	0.4
206.36362	0.4
219.20995	0.5
220.20535	0.6
233.22699	3.3
234.22125	0.8
245.22623	4.4
250.25298	8.6
254.24797	1.3
260.23584	0.5
262.25299	100.0
263.23514	0.6
263.25934	0.6
272.25940	4.9
280.26315	6.7
304.26346	0.5
312.25211	0.5
314.26706	0.7
360.56165	0.6
442.31406	0.6
504.47824	4.8
505.47559	0.6
514.07513	0.5
516.47803	21.0
517.47656	0.8
518.49268	4.2
534.48810	13.3
696.54333	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.3
56.05033	2.9
57.07071	2.7
67.05494	9.4
69.07066	7.9
70.06586	2.4
70.12089	2.1
70.95948	2.4
71.59917	4.0
71.85146	2.3
75.96420	2.0
79.05477	7.4
81.07037	6.6
82.06593	5.9
83.08611	4.8
91.05472	8.9
91.65828	2.2
93.07031	8.4
94.06562	13.7
95.07355	5.3
95.08582	5.1
95.85234	2.1
96.08121	6.1
98.83230	2.7
107.08590	5.5
108.08089	2.5
108.56786	1.9
109.10143	3.4
109.65081	2.1
119.08585	4.3
121.10120	5.0
122.09694	2.5
133.10147	3.1
135.11658	3.8
138.71701	2.4
142.89302	2.1
245.22694	4.3
250.25314	7.1
262.25284	100.0
268.11255	2.1
272.25848	6.6
280.11414	2.7
280.26328	6.0
504.47858	5.4
516.47876	25.6
518.49188	4.7
528.03583	2.6
534.48572	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	713.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.01878	0.6
55.05493	1.2
57.03442	1.9
57.34520	0.4
59.04996	0.5
61.02919	3.9
67.05502	4.4
69.03426	2.2
69.07059	1.5
71.01340	0.4
71.04993	1.8
73.02909	2.2
76.20087	0.4
77.72380	0.3
78.27625	0.4
79.05486	4.1
81.03416	3.4
81.07057	6.1
81.42891	0.4
82.07442	0.4
82.38541	0.4
83.04958	1.0
83.08608	1.4
85.02898	4.3
85.06545	0.9
87.04468	0.7
91.03934	1.8
91.05473	3.4
91.31210	0.3
93.07050	4.6
95.04974	1.4
95.08627	2.0
97.02898	3.9
97.06534	0.8
99.04484	1.3
101.02392	1.4
105.07016	2.0
107.04961	0.6
107.08611	2.6
109.02901	1.3
109.06556	0.5
109.10104	0.9
111.08079	0.8
117.06976	0.5
119.08577	1.2
121.10162	1.9
123.04426	0.5
123.11842	0.6
124.19798	0.3
127.03922	1.9
129.07031	0.7
131.08592	1.5
133.10139	1.9
135.11656	0.8
136.06157	0.5
137.05907	0.6
145.05016	0.5
145.06470	0.5
145.10172	0.5
147.11710	1.3
149.09650	1.9
149.13237	1.9
157.10110	1.0
159.11676	0.8
165.12607	0.5
173.09662	0.5
175.03810	0.4
175.11168	0.6
193.12276	1.0
198.42595	0.5
202.26695	0.4
225.14713	0.5
235.13132	1.2
243.08421	2.5
267.15909	0.8
269.17587	0.6
269.65417	0.4
283.15192	3.2
285.10229	0.4
303.05106	0.9
313.17505	0.4
339.17896	0.6
422.39053	0.4
453.20947	10.0
469.20364	0.6
501.23080	8.7
557.56067	0.4
713.37189	100.0
714.37396	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09989	0.4
53.03930	0.5
55.05502	0.8
56.22454	0.4
57.03431	0.7
61.02914	1.6
67.05499	3.2
69.03409	1.7
69.07051	0.8
71.04998	0.9
71.08606	0.3
71.60976	0.5
73.02895	1.2
79.05492	2.0
80.42235	0.4
81.03413	2.1
81.07056	3.2
83.04965	0.5
83.08633	0.8
85.02452	0.4
85.02907	3.1
87.31570	0.4
91.03948	0.6
91.05466	1.7
91.72141	0.4
93.07036	2.1
95.04980	0.8
95.08597	1.3
97.02897	1.8
97.06521	0.5
99.04456	0.7
101.02410	0.6
105.07029	1.8
107.04947	0.7
107.08582	2.1
109.02908	0.8
109.06492	0.4
109.10153	1.3
111.04436	0.5
117.07013	0.7
119.04903	0.5
119.08562	0.9
121.06523	0.5
121.10140	0.7
127.03925	1.0
131.08568	0.8
133.10052	0.9
135.08043	0.6
135.11714	0.6
137.05991	1.1
145.10095	0.7
146.07440	0.5
147.11667	0.5
149.09651	0.6
149.13232	0.5
159.11684	0.5
161.06039	0.4
163.03853	0.4
167.06960	0.4
177.05554	0.9
180.00592	0.4
185.04289	0.8
193.12198	0.6
201.03687	0.6
203.05254	1.7
207.06558	0.8
234.18124	0.4
252.62637	0.4
259.07990	1.9
267.09088	0.5
287.05441	1.3
288.06024	0.5
301.09140	0.5
303.05048	1.0
315.18994	0.7
333.19168	1.0
336.27432	0.4
347.09308	0.7
358.08194	0.5
365.10846	1.9
365.47311	0.4
382.09088	0.4
389.23013	4.3
396.85007	0.4
421.13181	1.7
439.19519	0.5
469.20383	1.3
485.23602	1.2
501.23154	0.6
551.28259	19.1
552.28577	0.5
583.30743	0.9
611.30542	0.5
641.31030	1.4
667.32623	1.8
713.33655	100.0
714.34058	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	713.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95492	0.1
53.03944	1.2
55.01870	1.3
56.96544	0.2
57.03441	0.8
61.02936	0.6
63.01961	0.1
63.50906	0.1
65.03954	0.2
65.21725	0.1
67.01868	0.1
67.05486	0.2
68.99793	1.0
69.03426	4.8
70.06593	0.3
71.01372	0.2
71.04993	0.6
73.02905	1.1
81.03415	6.1
83.01351	0.2
83.04987	0.1
85.02904	8.4
86.19357	0.1
87.00826	3.7
87.04454	0.2
91.03965	0.3
91.05483	0.7
93.03404	0.3
95.04965	0.1
97.02887	3.5
99.04466	2.0
101.02409	0.2
103.03936	0.1
105.01860	2.4
109.02873	5.3
111.00805	0.8
111.04416	0.3
115.03910	0.3
116.98572	0.1
117.01897	0.7
119.04905	0.3
121.02863	0.9
123.04403	0.2
125.02380	0.1
127.03915	7.0
128.35269	0.1
129.01854	0.7
136.07602	0.3
137.01343	0.2
137.02332	2.6
137.03319	0.1
137.05859	0.2
137.70740	0.1
139.03871	0.3
141.01820	0.2
143.05618	0.5
145.02786	0.2
145.04961	2.4
147.02876	0.4
147.04424	0.5
149.02324	0.4
149.05956	0.2
153.00587	0.1
153.01811	2.8
159.02890	3.1
159.04347	0.2
161.05971	0.3
163.03902	0.6
165.01833	1.7
166.02687	0.2
167.07057	0.2
173.06001	0.2
175.03949	0.4
177.05434	0.3
182.08147	0.1
183.02890	0.8
183.04321	0.2
187.03976	0.2
201.05495	1.3
207.06534	0.8
208.07005	0.2
213.03860	0.2
219.06572	0.4
229.04976	3.3
231.04976	1.1
247.06042	0.7
257.04440	2.5
274.04846	0.7
285.03967	1.0
302.03955	0.2
303.04974	100.0
304.05389	0.9
327.04968	0.2
345.06030	0.9
369.06006	0.2
369.12036	0.2
411.07065	0.2
465.10303	11.0
475.40726	0.2
533.09198	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	711.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01858	0.3
61.02910	0.2
68.99770	0.5
69.03429	1.3
70.06590	0.3
71.04996	0.3
71.60908	0.4
73.02924	0.3
73.73650	0.2
81.03423	1.3
81.03834	0.3
81.07079	0.3
85.02906	1.8
87.00838	0.4
87.06711	3.6
91.05511	0.4
95.08523	0.2
97.02866	1.1
100.34528	0.2
108.95327	0.2
109.02893	1.4
113.04597	0.3
125.04585	0.2
126.03024	0.3
127.03927	2.0
136.07568	0.3
137.06012	0.5
141.04041	1.2
142.04866	0.3
143.05643	100.0
144.06068	0.4
145.04982	0.3
147.04420	0.5
151.03943	0.2
162.05595	0.2
167.05708	0.3
167.06995	0.5
175.03816	0.3
177.05557	0.3
185.06728	0.9
206.05609	0.2
207.06554	0.7
213.03867	0.3
233.06587	0.3
251.69386	0.2
267.11383	0.3
271.06027	6.4
272.06369	0.3
286.04858	0.6
287.05597	0.4
293.09238	0.2
301.07114	1.8
305.10986	2.2
313.07071	0.3
313.11597	0.3
353.26013	0.2
373.09836	2.1
373.13745	0.2
389.13641	0.3
391.10953	0.3
433.11707	0.7
463.11819	0.3
481.12192	0.4
499.13159	1.9
517.14276	1.9
535.07819	0.4
535.15271	5.3
579.16705	0.4
675.25702	0.5
711.25732	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	712.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09389	1.1
53.03942	2.3
53.62614	1.1
55.01872	8.9
55.05513	11.5
57.02850	1.2
57.03435	11.3
57.07070	2.6
59.04993	1.5
61.02918	1.8
61.09612	1.1
65.03945	1.2
67.05505	53.2
69.03445	1.4
69.07072	15.3
69.46670	1.8
69.47076	9.2
71.01361	1.6
71.05000	3.0
73.02942	1.5
79.05493	40.5
81.03426	2.2
81.07055	42.9
83.04977	14.3
83.08617	8.0
85.02889	2.5
91.05478	17.0
93.07047	50.6
95.04959	5.7
95.08608	29.8
95.09171	2.3
97.02863	1.6
97.06536	11.2
97.10178	5.3
99.08133	1.5
105.07024	10.8
107.05028	1.3
107.07880	2.2
107.08595	34.3
109.06516	2.2
109.10147	13.0
111.08087	3.5
117.07026	7.1
119.08562	9.9
121.10135	15.7
122.49252	1.1
123.11710	4.3
125.09631	1.9
131.08569	5.4
133.10138	8.1
135.11690	44.0
137.09555	1.9
145.10130	9.2
147.11703	4.7
149.13297	4.1
153.12735	8.8
159.11737	4.3
161.13237	3.6
163.11189	4.9
163.14848	1.9
173.13298	3.1
181.12216	11.5
187.14932	2.0
189.11244	2.1
199.13422	1.8
227.12985	2.6
243.21173	2.9
255.15895	68.9
256.16177	1.9
261.22192	9.7
289.25348	1.4
297.22220	1.3
317.24719	3.5
335.25806	76.2
336.26120	2.1
405.31711	2.0
423.32703	3.0
436.66425	1.4
441.33762	2.0
515.37335	100.0
516.37537	5.5
533.38062	3.5
609.47034	1.5
667.30420	1.4
743.31653	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.05508	0.1
57.03437	0.6
61.02917	0.1
65.03962	0.1
67.01872	0.3
67.02178	0.1
68.18858	0.1
68.99491	0.1
68.99815	0.2
69.03439	0.4
70.26305	0.1
70.26703	0.1
71.04990	2.3
73.02560	0.1
73.02917	0.8
75.04467	0.1
81.03454	0.1
83.04967	0.3
85.02900	3.2
86.09717	0.1
91.05463	0.3
93.61089	0.1
95.04900	0.1
97.02880	0.5
104.45354	0.0
104.46956	0.1
111.04414	0.2
115.03935	0.3
119.04934	1.3
121.02856	0.5
123.04454	0.1
127.03888	0.2
129.01851	0.2
129.05473	0.8
137.05989	0.1
139.06134	0.1
143.05669	0.3
145.02812	0.5
145.05040	0.1
147.04439	0.1
147.06548	0.3
153.01819	2.9
155.03525	0.1
159.50272	0.1
163.03911	0.3
167.07028	0.1
171.02855	0.7
177.05424	0.1
187.03940	0.1
203.07047	0.2
207.06520	0.2
222.46466	0.1
225.05440	0.3
225.07666	0.2
229.04965	0.2
243.06523	0.2
247.06172	0.1
255.08850	0.1
269.04352	0.1
271.05994	100.0
272.06323	1.3
276.89435	0.1
283.06113	0.1
313.07047	0.2
352.78171	0.1
403.09814	0.1
433.11307	1.3
554.21600	0.1
565.15442	1.9
579.16998	1.8
580.17645	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	711.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92181	0.1
53.03943	0.3
56.05026	0.2
56.52922	0.1
57.03428	0.4
60.05635	0.1
61.02924	0.2
69.03438	1.1
69.91507	0.9
70.06586	0.3
71.04981	0.6
73.02899	0.3
73.04034	0.1
74.15347	0.2
80.45335	0.1
81.03423	1.4
81.07033	0.3
83.04980	0.2
84.08136	0.2
85.02919	1.6
85.55314	0.1
86.09678	0.2
87.00838	0.4
87.06723	3.7
91.05493	0.3
95.04950	0.2
97.02893	1.1
99.04454	0.4
104.26345	0.2
109.02896	1.5
113.04636	0.3
117.09061	0.2
119.04938	0.3
121.02818	0.2
121.80750	0.1
123.04442	0.2
126.02969	0.3
127.03920	1.7
129.05466	0.2
136.07622	0.2
137.05991	0.3
141.01860	0.3
141.04086	0.9
142.04890	0.3
143.05647	100.0
144.06027	0.2
145.02867	0.2
145.04968	0.3
147.04372	0.2
153.01868	0.3
155.05699	0.1
159.02843	0.2
163.03839	0.1
164.07056	0.2
167.07033	0.5
175.03893	0.2
177.05515	0.2
181.04990	0.2
185.06723	0.9
206.08243	0.2
207.06569	0.5
208.09744	0.2
213.03879	0.3
239.11852	0.2
267.11325	0.3
271.06033	9.6
272.06238	0.2
273.05997	0.2
283.06076	0.3
286.04803	1.0
287.05505	0.2
295.06317	0.2
295.10507	0.2
301.07080	3.0
305.10928	2.0
313.07059	0.5
329.10666	0.2
337.07248	0.3
339.10309	0.2
355.08832	0.2
357.07974	0.2
369.12042	0.2
371.12247	0.3
373.09903	2.3
373.14154	0.1
389.13754	0.3
391.11041	0.2
397.08966	0.2
433.11682	1.2
463.11887	0.2
481.12109	0.2
499.13046	2.0
517.14209	2.0
535.15228	5.2
549.12555	0.2
554.21149	0.1
579.17059	0.6
625.23065	0.2
633.60309	0.2
643.23419	0.3
656.48730	0.2
675.26013	0.4
693.24170	0.2
711.25537	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	711.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.2
53.03930	0.6
55.01870	0.9
55.05507	0.8
57.03430	0.6
61.02930	1.2
63.02369	0.8
65.03944	0.2
67.05501	2.1
68.99791	2.1
69.03432	2.5
69.07072	0.8
70.06586	0.3
70.15266	1.1
71.01347	0.6
71.04968	0.6
73.02902	0.3
75.00584	0.2
78.04684	0.5
78.34683	0.2
79.05489	1.6
81.02973	0.3
81.03416	3.3
81.07052	2.5
83.04988	0.6
83.08618	0.7
85.02884	1.3
85.06533	0.4
86.09686	0.3
87.00816	1.0
89.03914	8.4
91.05477	3.1
93.07037	1.4
93.95230	0.2
95.04978	1.7
95.08629	1.2
97.02883	1.6
97.06499	0.3
97.10175	0.3
99.04458	0.5
103.05446	0.8
105.07059	1.4
105.24525	0.2
106.04156	0.3
107.04932	0.7
107.08576	1.4
108.08976	0.2
109.02879	6.6
109.06516	0.6
109.10147	1.9
111.04430	0.4
111.08080	0.3
115.05446	0.5
117.03374	25.4
117.06996	0.8
118.03722	0.2
119.04964	1.1
119.08582	1.6
121.06481	0.5
121.10138	0.5
122.03600	0.2
123.04427	0.8
123.08115	0.3
123.11718	0.4
124.05148	0.4
125.05978	0.2
127.03925	1.8
128.06223	1.0
129.01802	1.6
129.07007	1.6
131.04930	1.8
131.08536	0.7
133.06415	0.3
133.10117	0.8
134.03616	1.5
135.04414	3.2
135.08058	0.4
135.11670	2.1
137.05980	2.3
137.09619	0.5
139.05457	0.3
141.01808	0.2
141.06993	1.0
143.05667	0.7
143.08554	1.0
144.05664	0.8
145.02840	69.7
145.06493	1.0
145.10146	0.7
146.03201	0.9
146.52783	0.2
147.02870	1.0
147.04398	1.0
147.11676	0.5
149.04771	0.4
149.05971	8.8
149.09566	0.3
151.03914	1.4
153.01810	1.7
153.05530	0.4
153.06993	0.8
155.04932	1.2
156.05650	0.5
157.06477	1.9
157.10103	0.4
158.06049	0.3
159.04437	0.7
159.08002	0.6
160.05157	0.3
161.02415	0.3
161.06004	1.2
163.03877	1.5
163.07530	0.9
163.11198	0.2
165.12741	0.2
167.04930	0.3
167.07042	1.4
168.05727	0.6
169.06461	0.7
171.02911	0.6
171.04373	0.5
171.08032	1.5
172.05205	1.1
173.05951	1.2
174.06744	1.0
175.03888	1.5
175.07544	1.5
175.14815	0.6
176.04402	0.3
177.05463	100.0
178.05807	0.9
179.03490	1.1
179.07040	0.3
181.06509	0.9
183.04416	0.9
184.05197	0.7
184.07274	0.3
185.05983	1.2
186.05457	2.0
187.07541	3.3
187.11110	0.3
189.05478	1.7
189.09088	0.7
191.06970	0.9
193.08548	0.3
193.12250	0.5
193.15848	0.9
195.06442	0.3
195.08119	0.3
197.05998	1.1
198.06619	0.3
199.07495	2.6
200.04732	1.2
201.05431	3.1
201.09189	0.6
202.06053	0.2
205.04936	0.4
205.08623	0.5
207.06512	2.0
209.06078	0.4
211.03877	0.7
211.13283	0.7
211.16899	0.8
213.03981	0.8
214.06189	0.5
215.07016	8.0
217.04909	0.4
217.08612	2.9
219.06499	0.4
225.05418	0.9
226.06190	0.4
228.04222	0.5
229.05052	0.5
229.08612	1.3
231.06584	1.8
233.08078	5.9
241.04730	0.3
241.08572	1.0
242.05725	0.5
243.06516	5.6
245.08145	0.9
253.04904	0.3
257.08093	4.0
259.06061	0.3
261.07571	39.1
262.07971	0.6
267.06567	0.3
267.15872	1.0
268.16104	0.5
269.04614	0.2
270.05286	0.3
271.05954	0.4
285.07538	7.7
285.10654	0.5
285.16782	1.1
287.05493	45.8
288.05740	0.9
291.08582	0.3
301.07010	0.8
303.05142	0.4
303.08612	8.1
319.07922	0.3
321.09702	1.0
325.10617	0.3
339.10794	0.5
369.11548	0.3
389.08719	0.8
407.09705	4.5
425.10730	8.1
459.27493	0.3
477.28299	0.5
478.28439	0.4
490.52728	0.3
495.29306	0.8
496.29742	0.5
551.83118	0.3
710.39825	1.0
711.30731	0.9
711.40991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.1
51.02373	0.1
53.03937	0.3
55.01874	0.5
55.05511	0.2
57.03416	0.1
61.02932	1.1
63.02340	0.5
63.36785	0.1
65.03925	0.1
67.01869	0.2
67.05495	0.3
68.42505	0.1
68.99792	1.5
69.03433	1.9
69.07110	0.1
70.13963	0.1
71.01350	0.8
71.13355	0.2
72.80377	0.1
77.03931	0.1
78.04713	0.4
79.05486	0.3
81.03413	2.1
81.07054	0.3
85.02884	0.5
86.48647	0.1
87.00836	0.5
89.03915	6.9
91.05476	1.2
93.07056	0.4
95.04961	0.8
95.08597	0.2
97.02886	1.4
99.04456	0.2
103.05468	0.6
105.03377	0.3
105.07026	0.4
106.04173	0.3
107.04945	0.3
107.08614	0.2
109.02881	5.5
109.10152	0.2
111.04473	0.2
115.05486	0.4
117.03378	23.3
117.07029	0.3
118.03687	0.2
119.04910	0.7
119.08630	0.1
121.06479	0.4
121.10148	0.1
122.03677	0.1
123.04420	0.3
124.05188	0.4
127.03924	0.9
128.06242	0.6
129.01845	1.7
129.04459	0.1
129.07014	1.0
131.04933	1.4
131.08546	0.3
133.02911	0.2
133.06483	0.2
133.10051	0.1
134.03642	1.3
135.04422	2.3
137.05978	1.5
139.05420	0.4
141.06989	0.7
143.04845	0.2
143.08540	0.5
144.05676	0.7
145.02844	70.1
146.03148	0.6
147.02879	1.2
147.04401	0.6
147.11627	0.2
149.05981	8.3
150.06374	0.1
151.03914	0.9
152.06204	0.2
153.01820	1.0
153.05664	0.1
153.06984	0.5
155.04918	1.0
156.05707	0.5
157.06483	1.4
158.06024	0.3
159.04439	0.5
159.08064	0.2
160.05208	0.4
161.05981	0.9
162.03101	0.3
162.05455	0.2
163.03932	0.6
163.07574	0.5
167.03493	0.2
167.04898	0.2
167.07066	0.2
168.05734	0.3
169.06458	1.1
171.02913	0.2
171.04407	0.4
171.08058	1.0
172.05191	0.8
173.05948	1.2
174.06789	1.0
175.03848	0.8
175.07524	0.8
175.14893	0.1
177.05466	100.0
178.05786	0.9
179.03412	0.6
179.07076	0.2
181.06448	0.7
183.04420	0.9
184.05183	0.9
184.07355	0.4
185.05972	0.8
186.05476	1.5
186.06902	0.2
187.03877	0.2
187.07532	2.7
188.04657	0.2
189.05475	1.2
189.09148	0.5
190.06271	0.2
191.07013	0.6
191.10609	0.2
193.12233	0.2
195.06668	0.2
197.05998	0.8
198.06772	0.3
199.03841	0.1
199.07536	2.6
200.04634	0.8
201.05455	2.0
201.09102	0.2
202.06279	0.3
203.07062	0.3
205.04950	0.3
205.08600	0.4
207.06511	1.1
208.07016	0.2
209.06041	0.4
211.03885	0.5
211.07558	0.2
211.13313	0.2
213.03848	0.6
213.09152	0.3
213.48924	0.1
214.06195	0.2
215.07024	6.0
217.05104	0.3
217.08603	2.4
218.05737	0.2
219.06482	0.3
225.05450	0.7
226.06320	0.3
227.06982	0.2
228.04077	0.6
229.04958	0.5
229.08589	0.9
231.06561	1.2
233.08080	4.0
241.08621	0.8
242.05688	0.3
243.06525	4.3
245.08064	0.8
247.06044	0.2
253.04935	0.2
257.08093	3.4
259.06216	0.1
259.09787	0.2
261.07578	35.5
262.07993	0.4
267.06516	0.2
267.15891	0.4
270.05249	0.3
273.07452	0.2
275.09109	0.2
283.04590	0.1
285.07568	7.5
287.05499	21.7
288.05804	0.3
291.08630	0.4
301.07123	0.3
302.17416	0.2
303.08627	8.0
321.09659	0.7
328.95923	0.1
371.07455	0.2
389.08786	1.0
407.04294	0.2
407.09717	4.4
425.10791	9.9
426.10953	0.2
445.48956	0.1
459.27274	0.2
460.27701	0.2
477.28415	0.4
478.28717	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	710.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
55.01867	3.6
55.05515	13.5
56.05026	1.6
57.03443	11.4
61.02922	1.7
65.03941	2.1
67.05173	1.6
67.05506	19.3
69.03438	10.4
69.07067	7.0
70.06592	3.6
71.05003	5.5
71.60988	1.5
73.02902	1.7
79.05070	1.3
79.05495	17.5
81.03422	77.6
81.07059	23.2
82.03748	1.2
83.04996	10.8
83.08627	19.3
85.02914	13.5
85.06540	2.9
86.09700	1.9
89.03896	1.8
91.05486	33.2
92.05779	1.3
92.69388	1.0
93.07052	13.0
95.04972	27.4
95.08610	11.2
96.08961	1.2
97.02882	6.3
97.06528	3.7
97.10158	5.6
99.04472	2.3
99.08109	1.7
103.05427	1.7
104.76531	0.9
105.07030	21.3
107.04964	10.1
107.08592	9.6
109.02877	4.2
109.06537	6.7
109.10140	6.9
111.04408	2.6
111.08091	8.3
115.05505	2.2
117.03365	2.7
117.07026	3.7
118.05054	1.0
118.88438	1.0
119.04961	11.1
119.08585	16.8
120.05292	1.6
120.08107	1.3
121.06496	5.8
121.10142	10.3
123.04404	2.1
123.08080	2.4
123.11699	2.3
125.06006	2.5
125.09653	4.8
127.03947	6.1
127.07586	1.1
128.06219	1.3
129.01868	1.1
129.07019	11.3
131.04936	3.6
131.08571	13.5
133.02785	1.2
133.06474	4.2
133.10149	9.3
135.04401	2.3
135.08069	3.0
135.11752	4.6
137.05991	12.0
137.09682	2.2
141.07010	1.2
142.07790	1.5
143.05666	7.0
143.08569	2.2
145.02847	9.6
145.04858	1.0
145.06516	5.1
145.10126	4.3
147.04422	10.7
147.08078	4.8
147.11691	13.1
148.04800	1.7
149.05980	3.3
149.09628	6.5
149.13249	1.6
151.03934	2.3
151.07556	2.1
153.01891	1.6
153.05450	2.3
157.06425	1.6
157.10130	12.4
159.08049	2.1
159.11714	1.9
161.05974	3.6
161.09633	1.5
163.03854	1.8
163.07564	2.6
163.11159	2.7
165.12801	3.4
167.07071	12.7
167.08482	1.7
167.10677	1.0
168.07422	1.3
171.08098	1.8
171.11697	2.0
172.09604	1.0
173.09589	1.8
175.03909	13.4
175.07509	5.5
175.11191	10.4
176.04277	2.6
176.07892	1.1
177.05492	16.7
178.05939	1.4
179.07060	2.1
181.04948	1.0
184.07320	2.0
187.07489	1.5
187.14781	1.0
189.11221	2.5
191.07106	1.3
193.05099	1.0
193.08620	1.9
193.10451	1.5
193.12245	31.1
195.11713	1.2
197.13152	1.2
199.07578	1.1
201.05435	1.2
205.12204	1.4
207.06544	22.7
208.06844	6.2
211.13304	19.2
212.13684	1.2
219.13887	2.2
229.14345	1.7
233.15331	1.9
249.14786	2.0
255.13753	1.7
257.15213	1.1
259.15604	1.2
267.15927	100.0
268.16321	2.5
271.06052	2.0
273.14886	4.3
285.16995	19.5
287.05591	6.7
296.11197	0.9
301.07047	2.6
323.12915	1.7
349.21552	4.3
357.24258	1.7
367.22650	10.4
369.11722	3.3
373.13889	1.6
385.23813	11.7
402.12735	1.8
403.24789	3.6
433.25848	13.9
441.26431	6.1
451.26724	1.2
459.27441	65.8
460.27731	4.1
461.92874	1.0
477.28525	50.0
478.29114	1.7
495.29126	3.0
534.30939	2.2
621.31628	1.1
675.26532	2.1
710.40479	4.0
711.36212	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	710.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01863	7.0
55.05510	34.8
56.96561	6.0
57.03431	21.7
59.05002	5.5
61.02930	16.5
61.74191	2.8
65.03949	4.1
67.05504	100.0
68.05834	4.2
69.03408	15.3
69.07071	27.1
71.04980	13.5
71.34098	5.0
73.02909	9.2
79.05495	68.4
80.83155	2.8
81.03418	26.7
81.06579	5.3
81.07056	90.2
83.04973	11.7
83.08620	19.7
85.02908	31.9
85.06549	10.8
86.09681	3.8
87.04459	4.5
91.03956	11.9
91.04907	3.2
91.05482	55.8
93.07037	67.3
95.04967	14.1
95.08604	35.1
97.02888	17.3
97.06540	12.7
97.10201	13.9
98.20765	3.0
99.04424	5.2
99.08059	5.1
105.07033	44.1
107.04958	8.1
107.08588	47.7
109.02908	5.2
109.06509	7.9
109.10150	32.4
111.04449	4.7
111.08032	6.2
111.11705	3.7
116.98643	3.3
117.07001	11.3
119.04958	4.1
119.08572	31.7
121.06503	3.5
121.10138	30.5
123.08086	3.9
123.11729	4.6
125.05975	3.4
125.09617	8.0
127.03896	10.1
128.06161	3.2
129.07011	5.9
129.80376	3.1
131.08601	20.3
133.10127	30.6
135.04291	3.5
135.11696	22.2
137.05971	4.1
137.09581	3.6
138.09102	3.3
143.08582	6.1
145.02838	7.9
145.10118	13.0
147.04419	4.7
147.11694	24.3
149.05943	2.8
149.09622	7.5
149.13257	22.4
151.11238	4.2
157.10114	10.0
159.11650	17.6
161.13275	16.5
163.03891	2.8
163.05969	4.6
163.11160	8.0
165.12817	5.4
167.07072	5.1
171.11699	7.4
173.11749	8.1
173.13228	5.0
175.03999	3.1
175.11172	4.4
175.14836	4.0
177.05484	13.6
177.12814	4.4
184.07355	9.2
185.13286	5.4
189.00931	3.7
191.10576	3.0
193.12273	10.1
194.87944	3.0
195.13805	10.5
207.06531	7.7
209.11816	4.5
211.13179	4.4
227.12767	6.8
229.14374	31.7
241.19522	12.3
259.20615	34.6
267.15967	8.0
268.16205	3.8
269.17453	49.5
271.06238	3.6
277.21713	7.2
283.15393	6.6
285.10239	4.4
285.17056	11.6
297.16739	3.1
301.07019	7.1
301.16397	10.6
315.08524	6.0
333.24094	4.3
351.25281	66.4
357.15640	5.7
375.25116	5.4
423.27509	38.5
439.25974	3.2
441.26517	5.1
445.25873	3.2
449.28488	5.4
459.27386	8.0
463.29764	4.8
477.28500	18.2
495.29401	29.3
513.30481	5.2
710.35400	12.6
711.35175	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03946	2.2
53.59630	0.8
55.01876	2.7
55.05512	14.5
56.96568	1.2
57.03437	18.4
57.07069	1.5
61.02926	12.4
65.03931	1.7
67.05506	45.2
67.05869	2.4
68.05840	0.9
69.03427	6.4
69.07066	12.6
69.27438	5.2
69.27872	4.8
71.04993	7.1
73.02905	4.3
75.04475	1.1
79.05492	38.0
81.03422	7.6
81.07058	53.7
83.04977	5.6
83.08612	10.9
85.02905	15.4
85.06547	5.0
91.03960	9.1
91.05482	33.8
91.06077	1.2
93.07043	46.8
95.04960	8.2
95.08607	33.7
97.02884	9.8
97.06556	7.0
97.10164	3.9
98.97538	1.0
99.04440	2.4
99.08089	4.2
103.03910	1.4
103.05502	1.5
105.07030	33.1
107.04952	2.6
107.08588	34.5
109.02873	1.1
109.06526	4.8
109.10147	17.6
111.04416	1.3
111.08077	3.7
115.04014	1.2
117.07008	12.4
119.08574	24.9
121.06480	1.6
121.10143	27.8
123.08066	4.0
123.11732	4.4
125.09606	3.1
127.03898	4.8
129.06981	3.8
131.07030	2.4
131.08562	18.5
133.06422	0.9
133.10127	25.8
135.08031	1.9
135.11702	21.8
137.09631	2.2
137.13249	1.2
139.11206	1.3
142.07768	1.3
143.08556	3.9
145.02864	0.9
145.04924	4.7
145.06367	0.8
145.10114	15.2
147.11688	17.5
148.15579	0.9
149.09612	3.4
149.13257	13.2
151.11150	3.2
155.08505	1.2
157.10121	5.5
157.11273	1.0
159.11700	17.4
161.09612	1.2
161.13260	10.2
163.05997	4.0
163.11214	1.9
163.14886	2.6
165.12770	1.8
167.07089	1.1
169.10132	1.9
171.11641	6.0
173.11858	1.5
173.13254	7.8
175.11165	1.1
175.14842	5.1
177.05367	1.7
177.12761	4.1
179.14355	1.9
181.12312	1.0
183.11784	1.4
184.07385	1.4
185.13222	6.8
187.14821	7.6
189.12714	1.5
193.12224	1.9
195.13808	2.5
199.14883	4.4
201.16402	4.9
203.14334	1.2
205.15964	2.6
211.13330	1.3
213.16397	2.2
219.17383	2.8
221.18883	1.3
227.12807	1.2
229.14359	4.3
231.21127	1.4
235.16672	1.0
241.19478	10.1
252.85936	0.9
259.20554	26.1
267.15948	1.5
268.16449	1.3
269.10571	1.1
269.17465	13.6
277.21619	21.7
293.21036	1.1
295.22650	1.2
333.24243	6.6
351.25287	100.0
352.25940	1.3
357.24612	1.0
369.26102	3.1
375.25244	1.4
385.23883	1.4
403.24722	1.1
421.25922	2.2
422.18762	1.1
423.27249	2.1
437.28961	1.3
441.26285	1.5
455.29080	1.7
463.30191	4.8
477.28284	3.4
481.31506	1.7
495.29404	4.7
513.30219	8.4
571.83075	1.1
660.87451	1.1
710.33856	1.1
711.35120	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
51.97135	0.3
53.03947	1.0
55.01879	0.7
55.05511	0.7
57.03438	0.9
61.02934	0.6
65.03952	1.5
65.33595	0.3
65.41772	0.3
67.05503	1.4
69.03434	6.7
69.07065	1.1
69.54883	2.6
69.55298	0.6
70.06609	1.1
71.04999	1.0
72.08167	0.6
73.02912	0.5
74.90561	0.3
78.04700	0.5
79.05503	2.7
81.03416	5.4
81.07073	2.2
83.04998	1.2
83.08628	0.5
85.02911	3.4
85.39185	0.3
86.09709	0.4
87.04478	0.6
89.03918	1.5
91.05486	20.9
92.05833	0.4
93.07033	1.9
94.04226	1.1
95.04978	1.8
95.08613	1.1
97.02892	2.4
97.06520	1.0
99.04471	1.0
99.08051	0.4
103.05465	3.0
105.03426	0.7
105.07030	4.1
107.04958	3.1
107.08604	1.2
109.02886	3.0
109.06541	1.0
109.10163	1.0
111.04435	0.7
111.08116	0.4
115.05455	1.9
116.06313	0.4
117.03399	3.4
117.07024	1.5
119.04951	28.4
119.08574	3.2
120.04496	0.3
120.05284	0.7
121.02871	0.4
121.06491	0.8
121.10165	1.3
122.03664	2.2
122.06081	0.5
123.04485	1.0
123.08122	0.6
123.11713	0.6
124.05179	0.5
125.06012	0.7
125.09691	0.5
127.03918	4.0
128.06233	1.4
129.06996	1.6
131.04936	4.9
131.08568	0.7
132.02075	1.0
132.05742	2.1
133.02821	0.5
133.06477	2.2
133.10167	1.0
134.03650	0.4
135.04417	1.5
135.08037	0.8
137.05983	30.2
141.06979	0.7
143.05692	3.3
143.08591	0.4
145.02855	8.9
145.06512	0.9
145.10127	1.1
146.03424	0.3
147.04414	27.4
147.08061	3.1
148.04872	0.5
149.02313	0.8
149.05939	1.7
149.09552	0.5
151.03940	1.3
151.07585	0.8
157.03955	2.5
159.08098	1.0
160.05205	1.3
161.05983	7.3
163.03941	1.7
163.07538	7.3
164.04716	1.2
167.07048	7.8
169.06479	1.2
171.08052	0.6
173.05988	0.9
175.03923	47.7
175.07541	28.5
176.04375	0.8
177.05487	17.3
178.05809	0.7
179.07074	2.6
181.04979	1.9
184.05188	0.8
187.07547	1.7
189.06963	0.6
189.09167	0.6
191.06996	1.5
191.08542	0.8
192.04210	0.8
193.08623	3.4
193.12221	0.5
195.06480	0.6
199.07512	3.5
201.05559	0.4
201.09181	0.5
202.07800	1.3
203.08606	3.3
205.06633	0.5
207.06537	100.0
208.06889	1.4
215.06905	0.5
218.07367	0.8
219.06233	0.6
219.08281	2.1
220.08723	0.8
225.07536	1.1
231.08086	3.9
232.08739	0.8
233.09706	0.5
239.06926	0.4
247.07483	1.5
248.08365	1.3
249.09120	0.6
251.10638	1.3
255.07780	0.4
257.04480	0.4
259.07529	3.0
260.08322	1.5
261.09149	0.8
263.10675	1.6
264.07800	0.5
265.08633	0.9
267.15823	0.6
271.06055	0.6
273.09021	0.4
275.06985	0.6
276.07791	2.2
277.08530	1.0
279.10236	1.7
281.08017	0.6
286.04944	1.7
287.05496	2.8
289.08557	0.8
290.09509	0.5
291.10233	6.7
292.07687	0.4
292.10861	1.2
293.08118	0.8
294.08743	0.5
295.09613	0.5
301.07132	0.9
305.07953	0.5
307.09595	0.8
308.10303	0.5
309.11041	0.6
311.12790	3.0
317.06644	2.0
321.10922	1.1
322.12186	0.6
323.09372	0.7
323.12820	6.7
325.10898	0.6
325.14178	2.3
329.06992	0.5
337.10550	0.9
339.11432	0.6
341.13986	0.6
347.12756	1.0
351.10748	5.4
353.13803	0.8
367.11655	1.9
369.11783	5.5
375.11896	0.7
383.10968	1.2
385.11868	0.6
390.09912	0.4
401.12366	5.3
407.14438	0.4
438.61850	0.4
469.16403	1.2
473.16229	0.5
487.17838	0.4
491.40530	0.4
497.15457	0.6
517.17963	0.6
529.18079	1.4
547.19165	0.8
563.17230	1.5
653.71948	0.4
709.24500	1.0
709.38385	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39030	0.3
53.03946	0.8
55.01873	0.6
55.05499	0.6
56.05021	0.4
57.03436	0.6
59.76781	0.4
61.02940	0.4
61.56985	0.3
65.03957	1.3
67.05509	0.9
69.03426	10.3
70.06605	0.7
71.05013	0.6
72.08154	0.6
76.86859	0.4
77.03944	0.6
79.05509	1.3
81.03407	2.3
81.07056	1.3
84.08147	0.4
85.02894	2.2
86.09735	0.4
86.35709	0.4
87.06710	0.9
89.03890	0.8
90.53159	0.4
91.05484	20.2
93.07043	1.2
94.04187	0.6
95.04973	1.5
95.08572	0.7
96.36973	0.4
97.02912	2.3
97.06515	0.6
98.20687	0.6
99.04469	0.6
103.05490	1.6
105.07030	3.1
105.07637	0.5
107.04937	1.1
107.08604	0.6
109.02876	1.8
109.06513	1.1
109.10212	0.9
111.04439	0.7
115.05457	1.1
117.03397	0.9
117.07027	0.8
118.04189	0.6
119.04945	28.6
119.08617	1.8
120.05302	0.5
121.06544	0.4
121.10159	0.6
122.03661	2.5
123.04465	0.8
127.03912	4.8
128.06232	1.1
129.03300	0.4
129.06987	0.8
131.04910	2.5
131.08578	0.7
132.02069	1.3
132.05702	1.4
133.02908	0.6
133.06491	1.2
135.04346	0.8
136.05186	0.5
136.07608	0.4
137.05978	22.8
139.03999	0.5
143.04564	0.8
143.05652	13.6
144.05844	0.4
145.02834	2.7
145.06456	0.6
145.10101	0.5
147.04413	27.8
147.08037	2.2
147.11728	0.4
149.02354	0.9
149.06021	0.6
151.03903	0.8
151.07584	0.5
153.05444	0.5
157.03966	2.1
159.08076	0.7
160.05260	0.6
161.05984	5.6
162.03091	0.4
163.03926	1.0
163.07530	3.9
164.04684	0.8
167.07056	4.1
171.07982	0.5
173.05957	0.8
174.03168	0.4
175.03912	50.2
175.07526	11.7
176.04367	0.5
177.05490	5.3
178.05896	0.4
179.07109	2.4
181.04918	0.4
184.05186	0.8
185.06090	0.4
187.07555	1.2
189.05391	0.5
189.09085	0.4
191.07027	0.6
191.08626	0.9
192.04175	0.8
193.08600	0.4
194.74484	0.4
199.07524	2.3
202.07785	1.5
203.06926	0.6
203.08583	2.3
207.06528	100.0
208.06900	1.4
219.06258	0.7
219.08061	1.5
220.08928	0.4
225.07607	1.7
231.08170	2.6
232.08757	0.6
245.19518	0.4
247.07593	1.4
248.08267	1.7
251.10712	1.6
259.07681	2.1
260.08316	1.1
261.07425	0.7
263.10757	0.9
265.08755	0.6
275.07120	0.4
276.07779	1.2
277.08636	0.6
279.10132	0.9
287.05350	0.7
291.10303	5.7
292.10800	0.9
293.08002	0.6
299.36255	0.4
307.09460	0.5
308.10294	0.5
311.12711	3.6
317.06537	0.5
323.12811	7.1
323.19235	0.5
325.14233	0.8
351.10751	5.9
367.11777	0.5
369.07318	0.5
369.11810	6.7
383.11148	0.6
401.12314	0.9
461.15997	0.4
517.14087	0.5
535.15320	0.9
550.72437	0.4
709.27710	0.5
709.40253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01864	3.3
55.05515	20.0
55.80491	1.0
57.03189	1.5
57.03440	15.4
57.07070	1.9
59.04983	2.0
61.02922	7.3
63.39604	1.0
65.03944	2.9
67.05506	72.6
69.03430	6.3
69.07069	12.6
69.36315	1.5
69.36713	10.0
71.01355	1.5
71.04993	23.6
73.02917	3.0
79.05498	42.8
81.03421	53.9
81.07059	100.0
82.07388	2.2
83.04987	16.3
83.08622	25.3
85.02909	26.7
85.06548	8.7
87.04478	2.0
91.03971	2.7
91.05481	57.1
93.07045	36.3
93.07637	1.8
95.04969	24.8
95.08607	20.7
97.02917	5.9
97.06525	8.6
97.10181	6.6
97.91518	1.0
99.04439	1.4
99.08073	2.2
105.07032	35.1
107.04959	8.5
107.08598	20.3
109.06520	7.2
109.10149	14.5
111.04455	3.6
111.08088	8.7
113.06010	3.0
115.05443	2.0
117.07032	8.6
119.04934	1.7
119.08585	27.1
121.06482	4.8
121.10151	14.5
123.08080	4.5
123.11691	14.3
125.09634	3.0
127.03912	1.7
128.06223	1.2
129.07022	10.2
130.47298	0.9
131.08588	18.0
133.06483	2.8
133.09126	1.7
133.10130	34.1
134.10506	1.4
135.08061	2.9
135.11700	6.1
137.09615	3.5
141.67172	1.0
142.07784	3.0
143.08571	2.8
145.06552	1.0
145.10110	4.5
147.08038	2.8
147.11688	17.8
149.09645	7.4
149.13254	7.2
151.11211	8.1
157.10139	13.2
159.07956	1.0
159.11674	7.1
161.09598	1.3
161.13268	1.1
163.11166	2.7
165.12820	1.9
169.12318	1.7
173.11812	1.6
173.13214	2.4
175.11192	14.3
177.05441	2.1
177.12781	2.8
183.13872	1.9
187.13301	4.8
189.12791	1.2
193.12250	33.1
195.13829	3.6
201.14781	1.1
209.11623	1.6
209.93375	1.0
211.13284	29.9
213.14886	2.5
225.14859	3.2
227.12778	1.2
229.14290	2.8
243.15932	4.2
253.17957	1.4
257.17410	1.2
267.15927	29.7
268.08313	1.1
269.17499	21.2
269.68350	1.2
275.20053	8.8
283.15317	1.4
285.17001	19.4
301.16809	1.3
301.20047	19.1
318.24762	1.1
349.23752	51.1
350.23929	2.5
361.24316	1.0
369.24353	1.6
405.25800	1.0
417.26498	1.8
435.27444	30.2
439.26657	1.8
443.27811	4.6
453.28479	62.8
454.28564	2.5
456.25870	1.2
461.28964	62.6
462.29202	1.5
467.29987	10.3
479.30093	44.6
479.37018	2.3
480.30420	2.1
493.31284	1.8
511.32980	42.1
709.34174	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01875	1.8
55.05517	5.5
57.03187	0.9
57.03441	10.7
57.07066	0.8
57.78121	0.6
61.02916	0.9
67.05508	26.9
67.19488	0.6
69.03432	1.8
69.07073	10.1
70.01296	3.5
71.01344	0.6
71.05009	3.7
73.02912	1.0
75.44389	0.7
79.05498	17.7
81.03422	40.8
81.07059	33.0
83.04987	5.6
83.08621	13.8
85.02916	1.7
85.06559	2.5
91.05482	14.2
93.06470	1.2
93.07050	23.4
94.07410	0.7
95.04974	12.4
95.08610	10.2
97.02919	1.6
97.06538	5.1
97.10184	2.2
99.08083	1.1
105.07033	9.0
107.04992	3.2
107.08606	12.7
109.06525	2.2
109.10150	2.2
111.04458	1.0
111.08076	5.0
115.05476	0.9
117.07027	3.8
119.08592	6.5
121.06505	1.6
121.10142	9.9
123.08128	1.0
123.11710	2.2
125.09644	0.9
129.06998	4.2
131.08578	7.4
133.06519	1.4
133.10150	5.5
135.08090	1.1
135.11682	3.8
137.09656	1.0
142.07799	0.9
143.08507	1.0
145.10104	0.9
147.08038	1.3
147.11696	4.7
149.09628	2.3
149.13266	11.5
149.14388	1.2
157.10127	4.6
159.11694	6.0
172.54182	0.7
175.11218	5.0
177.12759	2.9
193.12259	9.8
195.13788	4.9
211.13275	1.7
223.13362	0.8
249.14961	1.9
258.41058	0.7
267.15927	45.5
268.16251	0.9
269.17487	56.3
270.17920	1.2
287.35745	0.6
320.17755	0.7
369.24219	1.0
435.27518	4.7
443.28040	1.8
453.28561	1.1
461.29001	100.0
462.29459	5.3
479.29959	3.0
499.29984	0.7
503.30063	2.1
594.47235	0.7
600.68243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84370	0.8
55.05503	1.4
57.03436	0.6
67.05507	4.2
68.44643	0.7
69.07084	0.9
71.04982	0.7
79.05486	3.0
81.03436	0.8
81.07065	5.8
83.04991	0.8
87.04461	0.8
91.05486	3.5
93.07033	3.8
95.08619	2.9
103.30017	0.7
105.07054	2.9
107.08588	2.4
109.10116	0.9
112.99988	0.8
119.08539	1.7
121.10176	1.9
131.08539	1.7
132.44669	0.6
133.10092	1.4
135.11703	1.1
143.08397	0.7
145.10162	1.1
147.11693	0.8
161.13289	0.9
166.45366	0.7
177.85455	0.7
184.13339	0.6
195.29361	0.7
197.30609	0.7
205.67203	0.8
261.22205	1.0
267.15933	0.9
527.36884	1.0
535.26947	1.7
545.38208	1.3
595.47253	5.2
707.37579	100.0
708.37878	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	707.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21845	0.9
55.05508	2.4
57.07765	0.9
63.52993	0.9
63.89924	1.0
67.05502	6.0
69.07069	2.5
69.41589	9.9
69.66119	1.3
79.05491	5.6
81.03430	2.0
81.07047	6.8
83.04991	1.8
83.08614	1.5
87.04483	1.9
91.05492	3.9
93.07051	5.1
94.24895	0.9
95.04955	1.3
95.08598	3.5
105.07010	2.3
107.08610	2.0
107.53480	1.0
109.10152	2.3
112.68990	1.1
113.00069	2.1
119.08553	1.7
121.10155	1.8
131.08539	1.3
133.10135	1.4
135.11684	1.4
147.11694	1.4
171.11819	1.3
326.22714	1.1
335.25870	2.4
466.59274	1.1
510.74936	1.1
521.43402	1.1
545.28894	1.0
545.37524	1.2
595.47021	5.3
680.87964	1.3
707.37598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76278	0.3
64.17654	0.3
70.27020	0.6
70.27416	0.7
71.59133	0.3
74.54891	0.3
77.00915	0.3
81.03440	0.4
82.99900	1.1
85.02885	0.3
89.19338	0.3
94.93039	0.3
101.00849	2.1
109.02831	0.4
113.00876	0.6
119.01920	11.0
127.02393	0.6
131.01920	3.9
135.78365	0.3
137.01889	1.1
137.02960	2.0
137.51955	0.4
139.02328	0.4
143.01889	10.4
145.03459	6.8
147.01427	0.7
149.02979	0.9
152.02438	0.7
155.01888	6.9
157.03490	3.0
161.02957	19.8
163.04468	1.5
167.01868	4.9
169.03439	1.6
171.05052	2.0
173.02959	16.5
175.04576	1.6
177.02417	0.4
179.01846	1.6
179.30351	0.3
181.03427	0.6
184.04501	0.4
185.02956	34.4
186.03090	0.5
187.04529	4.0
191.03963	0.9
193.03419	0.4
197.02957	12.9
199.04495	0.7
201.98656	0.7
203.03984	11.6
209.02982	1.1
215.04008	9.4
219.01793	0.4
221.05133	0.9
224.04268	0.3
227.04008	7.4
233.05052	0.6
237.02629	0.4
239.04024	0.7
245.05069	100.0
246.05261	0.9
257.05106	4.5
261.02966	0.3
263.06140	13.9
268.06458	0.3
275.06110	10.6
283.07147	0.5
283.56741	0.5
284.06729	0.7
286.07840	0.4
287.06100	0.6
293.07193	4.0
305.07166	12.0
329.07068	0.6
335.08228	3.2
347.08197	1.1
365.09286	44.4
365.59589	0.5
366.09500	0.8
383.10400	4.6
401.11237	0.5
406.11942	0.5
407.10477	0.8
425.11398	38.9
437.11450	3.0
455.12497	2.2
485.13272	0.9
707.17346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03945	10.6
55.01876	4.4
55.05514	26.9
57.03438	7.0
57.07077	2.9
59.05005	1.4
61.02930	2.5
63.05098	1.1
65.03935	7.0
67.05506	89.4
69.03432	25.8
69.07070	16.7
71.01392	1.8
71.04995	58.2
73.02937	1.5
79.05495	66.6
81.03422	55.8
81.07058	100.0
83.04980	14.7
83.08606	10.2
85.02897	7.9
85.06561	8.4
87.04464	1.7
91.04900	2.7
91.05482	62.8
93.07046	68.8
95.04974	14.9
95.08611	39.7
97.02891	13.3
97.06531	10.5
97.10184	4.3
98.21546	1.9
99.04453	7.1
99.08101	2.6
103.05505	1.4
105.04532	1.6
105.07034	37.0
107.04983	3.8
107.08595	34.3
107.09308	1.8
107.92908	1.1
109.02888	8.0
109.06549	4.7
109.10164	16.9
111.04452	9.3
111.08110	4.5
113.06023	1.5
113.09662	1.2
115.05487	2.1
117.07024	14.8
119.08578	19.9
121.06503	3.0
121.10149	23.2
123.04465	1.4
123.08096	3.6
123.11713	12.2
125.09657	2.7
127.03926	10.6
129.05550	2.4
129.06989	6.1
131.08574	18.6
131.09518	1.2
133.10141	29.2
135.04436	1.3
135.08072	3.1
135.11688	14.1
137.09711	1.7
139.11290	1.4
141.07011	1.7
142.07817	1.2
143.08562	5.2
145.06488	1.5
145.10114	6.9
147.08040	1.9
147.11684	13.4
149.09666	3.1
149.13263	16.8
151.11198	9.4
153.12793	1.9
155.08575	2.5
157.10115	6.2
159.11696	16.2
161.13266	2.9
163.11249	1.6
163.14864	1.6
165.12743	1.4
167.08597	1.3
169.10182	2.7
169.12328	2.2
171.06670	1.7
171.11732	3.6
173.04475	14.2
173.09726	2.2
173.13339	5.1
175.11267	3.0
175.14870	2.1
177.12730	8.0
183.11777	2.4
183.13884	8.9
185.13303	2.9
187.11578	1.5
187.13327	14.7
187.14842	2.0
189.12762	1.2
193.12320	3.7
195.12001	1.9
195.13881	7.6
197.13373	1.5
201.12962	1.5
201.14908	5.1
207.11655	1.3
209.13287	1.4
211.13377	2.9
213.12852	2.1
213.14783	1.6
214.80966	1.5
222.51440	1.2
233.15417	1.8
241.19518	1.4
243.21138	2.1
257.17560	4.6
259.20694	3.4
261.22266	4.6
267.15897	1.8
269.17627	3.8
277.14651	1.5
277.21750	1.5
283.18970	1.6
301.21796	2.0
315.23077	1.5
317.24893	3.1
321.17111	1.6
333.24146	1.3
335.25955	4.2
339.18088	10.1
349.27594	5.0
351.23123	2.6
369.24268	4.4
395.20758	3.0
427.23438	3.2
429.20847	1.4
443.28168	2.5
451.31766	1.2
461.29260	3.4
501.39413	1.5
503.37408	4.1
517.38861	8.3
525.35699	2.3
529.39343	2.3
543.36694	14.2
561.41626	5.7
611.39636	1.8
655.41425	1.6
673.42822	8.9
687.42358	2.0
705.45721	57.1
706.45105	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03950	9.4
54.03810	1.5
55.01876	18.2
55.05265	3.0
55.05513	39.9
57.03440	13.2
57.07069	4.4
57.40246	1.6
59.05005	3.0
61.02920	6.2
65.03938	4.4
67.05508	90.7
69.03432	31.1
69.06720	3.2
69.07066	33.4
69.77597	8.9
71.01361	3.8
71.05000	11.5
73.02921	4.2
77.03926	3.3
78.79577	1.5
79.05497	74.4
81.03423	58.4
81.07059	100.0
83.04987	23.4
83.08615	18.6
85.02911	13.6
85.06542	5.1
89.06042	3.7
91.03957	1.9
91.05488	64.5
92.63520	1.4
93.07050	72.8
94.07388	1.7
95.01350	2.5
95.04974	25.7
95.08614	49.1
97.02898	24.3
97.06533	23.9
97.10175	11.5
98.21545	1.6
99.04443	7.9
99.08085	4.4
105.04520	2.8
105.07034	57.4
107.04968	17.7
107.08601	47.3
109.02879	15.2
109.06528	11.3
109.10155	24.7
111.04447	7.9
111.08066	7.5
115.05509	3.3
116.06125	1.7
117.07021	30.2
119.08585	42.2
121.06499	10.7
121.10145	23.6
123.08061	7.7
123.11730	11.6
125.09650	10.6
127.03927	14.6
128.06239	4.8
129.05486	5.0
129.06993	16.8
131.04961	3.4
131.08574	34.2
133.06526	4.8
133.10132	30.6
135.08052	9.2
135.11678	15.0
137.05997	2.3
137.09647	5.7
139.11142	2.8
141.06992	7.5
142.07768	3.7
143.08548	16.8
145.04962	1.7
145.06508	6.6
145.10115	24.4
147.04347	1.9
147.08073	6.3
147.11691	24.6
149.09625	17.1
149.13274	12.7
149.42744	1.7
151.11253	5.0
153.07043	2.0
153.09106	3.0
155.08577	7.7
156.09334	2.5
157.06430	2.2
157.10150	13.7
159.08112	6.2
159.11688	22.7
161.09642	4.3
161.13261	6.8
163.11197	11.3
163.14851	2.3
165.12785	4.4
167.08519	2.4
169.10141	11.0
171.08066	2.5
171.11684	12.3
173.04465	10.7
173.09641	4.3
173.11848	3.0
173.13274	11.9
175.11214	5.6
175.14859	2.2
177.12735	11.0
179.08589	2.4
179.14473	1.6
181.10187	4.6
181.12306	2.5
183.11639	9.1
185.09615	2.4
185.13278	8.8
187.11217	4.6
187.14885	2.5
189.11226	3.6
189.12746	3.8
193.10185	2.9
195.11868	3.4
195.13824	6.5
197.09467	1.9
197.13300	5.4
199.11198	3.8
199.14888	3.3
201.12724	3.2
205.12267	1.8
209.11594	3.1
209.13368	2.9
209.15231	1.8
211.11212	2.6
211.14871	4.1
213.12761	2.4
213.14711	2.5
217.12180	1.8
217.15904	2.1
221.13362	3.4
227.12698	8.3
229.14375	2.2
233.15437	2.0
239.18066	2.2
247.20685	1.7
257.19031	8.0
259.20599	2.2
267.15912	5.0
269.17358	12.4
273.18613	1.9
275.20062	46.0
277.21683	2.9
283.15417	1.9
291.19669	1.8
293.21124	5.3
299.20261	2.9
299.23688	2.7
301.21671	3.1
303.16040	2.2
313.21298	2.2
315.23151	1.9
325.21909	1.8
339.18054	5.9
349.23758	18.8
375.25818	1.7
395.20770	3.7
405.25372	1.9
413.21631	10.5
423.27231	1.8
431.27829	1.7
433.30984	5.5
451.32224	5.1
469.33237	6.5
507.34393	2.6
515.37177	6.8
525.35950	19.7
543.36829	59.6
544.37244	2.2
561.37860	3.5
623.40210	1.6
651.39044	2.2
669.39874	4.4
687.40973	21.8
705.42047	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
53.34776	0.2
53.38741	0.2
55.01863	0.3
56.96568	0.4
57.03426	0.2
60.05643	0.4
61.02929	0.3
65.03936	0.3
67.05491	0.7
69.03435	1.8
70.06596	1.0
71.04993	0.2
71.59929	0.2
75.82874	0.2
76.19316	0.2
76.88522	0.2
79.05452	0.2
81.03413	1.5
83.05006	1.2
84.08123	0.3
84.96010	0.2
85.02904	2.0
87.00818	0.6
87.06715	3.6
89.03924	0.2
91.05475	0.4
93.03420	0.5
95.04967	1.1
97.02901	1.7
98.97574	0.7
99.00809	0.4
99.04434	0.4
104.98205	0.2
105.01871	0.2
107.04980	0.3
109.02879	2.1
111.04438	1.8
113.04594	0.5
116.98590	0.8
117.03354	0.2
119.04932	0.5
121.02866	0.7
123.04403	0.3
125.04575	0.3
126.02946	0.2
127.03929	2.0
129.05467	0.6
134.14584	0.2
134.99658	0.4
135.04411	0.5
137.05943	0.3
139.03896	1.4
141.01880	0.4
141.04068	1.4
141.05223	0.3
142.04900	0.5
143.05640	100.0
144.06009	0.3
145.02808	0.3
145.04944	0.5
147.04413	1.7
151.03957	0.4
155.05652	0.2
157.05023	0.5
161.01224	0.4
163.03905	1.0
167.05637	0.2
169.05013	0.2
175.03900	0.2
177.00729	0.5
177.05486	0.7
185.06667	0.9
195.02827	0.2
207.06450	0.3
209.06689	0.4
213.03952	0.3
219.01741	0.4
231.04980	0.4
234.99051	0.6
236.99294	0.3
237.02815	0.7
259.10001	0.2
273.05927	0.3
295.06110	0.2
305.10861	1.7
337.08017	0.3
357.08099	0.3
373.09946	1.5
381.06668	0.5
381.11230	0.9
399.08148	0.4
401.10748	0.4
433.11942	0.7
447.11374	1.5
463.11020	0.3
481.12015	0.5
499.13043	3.5
517.14099	2.7
523.69629	0.2
535.15173	6.1
543.15930	0.2
646.39435	0.2
705.20703	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.6
55.01860	6.9
55.02107	2.0
55.05511	32.0
57.03435	17.3
57.07065	1.6
59.56542	1.8
61.62845	1.9
65.03928	6.8
65.43273	1.5
67.05504	99.2
69.03432	31.5
69.07062	18.6
69.93336	10.4
71.01353	1.7
71.04989	8.0
73.02901	2.2
73.06561	2.1
77.03907	2.3
79.05492	100.0
81.03423	46.3
81.07057	74.9
83.04991	20.8
83.08614	11.0
85.02902	16.2
85.06533	2.6
91.04900	2.7
91.05476	71.0
93.07043	82.5
93.14969	1.7
93.37864	2.1
95.04974	29.9
95.08604	61.1
97.02880	13.3
97.06505	10.1
97.10149	3.4
99.04457	6.6
101.02355	2.1
103.05453	3.2
104.49406	1.9
105.07027	48.2
107.04926	10.2
107.08594	32.8
109.02885	4.7
109.06506	8.5
109.10162	20.9
111.04432	4.4
111.08127	3.5
115.05479	2.1
117.07010	24.6
119.08592	30.0
121.06524	6.2
121.10143	26.1
123.04461	2.3
123.08089	4.5
123.11688	2.7
126.90459	1.8
127.03915	8.2
128.06183	5.4
129.05492	5.6
129.06992	24.8
131.08577	22.3
133.06493	6.1
133.10133	15.1
135.08058	2.4
135.11699	15.4
137.09656	2.4
141.07007	3.8
142.07793	2.3
143.08539	15.7
145.06508	7.2
145.10121	17.8
147.08026	5.7
147.11671	25.8
149.05959	2.2
149.09622	2.9
149.13225	4.5
155.08537	6.1
157.06520	4.7
157.10141	4.1
159.08076	4.1
159.11676	10.9
161.09645	4.3
161.13223	12.5
163.11107	2.6
167.08508	3.7
169.10144	5.0
171.08023	3.0
171.11673	23.0
173.04466	7.1
173.09494	2.2
173.13248	4.7
174.40591	2.1
175.14827	3.3
179.14380	3.2
181.10110	2.8
183.11647	3.9
185.09680	1.7
185.13336	2.8
187.11201	2.4
189.12732	5.8
193.10199	2.1
195.11687	2.4
207.13776	19.3
213.16327	1.8
223.14664	2.2
225.14763	5.2
241.15939	4.8
243.21176	3.7
245.15317	2.4
251.14343	2.3
259.16943	5.6
261.22098	8.9
269.15356	7.2
273.52069	1.9
281.17520	18.2
287.16367	16.1
305.17337	3.1
317.24832	1.9
323.18521	2.6
333.16922	2.9
333.24338	2.5
335.25778	76.5
343.19055	2.7
351.17981	3.7
361.19986	3.9
407.20612	2.7
425.21582	8.8
508.56839	1.9
541.38928	59.0
555.40405	3.2
595.72894	2.4
621.41608	4.2
685.42908	3.9
703.44775	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	703.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.8
53.03947	15.7
53.06479	1.7
55.01866	6.7
55.05508	29.8
57.03436	15.4
57.07058	5.0
60.18910	1.8
65.03925	5.6
67.05503	98.8
69.03077	2.3
69.03428	32.9
69.07066	26.6
71.04975	9.3
77.03902	2.1
79.05491	96.6
79.70020	1.7
81.03416	50.7
81.07055	92.6
83.04984	24.0
83.08607	16.0
85.02907	20.4
85.06527	5.9
85.90562	1.9
87.04444	2.1
91.04907	2.8
91.05479	76.2
93.07038	100.0
95.04964	28.0
95.08604	74.3
97.02885	11.5
97.06525	9.1
97.10144	5.6
99.04445	7.3
99.08170	3.4
103.03906	2.3
105.04477	3.7
105.07026	54.9
106.53709	1.8
107.04968	13.9
107.08595	37.1
109.02862	8.9
109.06493	8.0
109.10148	19.9
111.04420	5.2
111.08074	3.4
115.05477	4.4
117.07021	29.3
119.08574	37.1
119.09358	3.7
121.06478	8.6
121.10123	27.7
123.04381	2.4
123.08051	5.8
123.11679	4.3
125.09643	2.0
127.03925	9.9
128.06238	7.1
129.05443	7.2
129.06993	26.7
131.04890	3.1
131.08562	32.8
133.06468	7.8
133.10114	21.9
135.08044	5.0
135.11687	14.9
137.09610	3.0
141.06996	5.5
143.08580	16.0
145.06490	9.2
145.10120	25.3
147.08026	8.1
147.11670	27.8
149.05971	2.6
149.09622	4.2
149.13258	9.1
151.11166	2.7
153.07014	2.7
155.08514	7.9
157.06482	4.2
157.10106	7.0
159.08031	9.3
159.11679	12.1
161.09593	5.2
161.13235	14.3
163.11143	1.9
163.14861	3.2
165.06915	1.9
167.08542	3.3
169.10103	4.8
171.08095	2.6
171.11696	22.8
173.04486	9.5
173.09634	4.7
173.13191	9.0
175.11159	2.1
175.14877	2.8
177.12723	4.0
179.14273	3.0
181.10133	4.7
183.08112	1.8
183.11649	2.9
185.09543	4.3
185.13243	5.5
187.14746	2.9
189.09091	2.3
189.12746	9.0
193.10129	2.1
195.11708	3.2
197.13319	2.5
199.14784	2.8
201.12822	2.3
204.16217	1.7
207.13776	18.1
221.15285	3.7
223.14752	4.6
225.14801	4.0
233.15411	2.4
241.15877	5.2
243.21140	2.5
244.23056	2.2
245.15273	2.7
247.16811	3.1
257.15329	2.3
259.16895	7.3
259.20480	4.7
261.22113	11.0
269.15353	7.4
279.16080	3.1
281.17517	17.3
287.16422	19.5
333.24152	2.5
335.25769	96.0
336.26230	2.4
343.19077	2.4
361.20044	5.7
407.20789	2.4
425.21771	9.3
502.05243	2.0
541.38928	50.6
555.40076	4.4
603.40277	2.6
604.57794	2.6
621.41107	5.9
685.42072	2.5
703.44611	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	703.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27923	2.1
52.35515	2.5
53.03923	10.3
55.01873	13.9
55.05508	37.0
57.03430	12.1
57.07063	4.2
65.03920	3.7
67.05503	83.2
69.03427	34.1
69.07065	35.8
70.02911	5.7
70.03320	8.5
71.04975	10.2
74.03585	2.0
79.05489	62.3
81.03417	66.0
81.07056	71.4
82.47758	2.6
83.04970	18.3
83.08624	20.2
85.02908	13.1
85.06527	4.3
87.04445	2.4
91.05482	56.2
92.60316	2.0
93.06463	4.3
93.07036	59.1
95.04962	26.7
95.08604	35.7
97.02879	23.2
97.06540	11.7
97.10165	18.0
99.04419	6.6
99.08187	2.3
105.06382	3.2
105.07027	41.0
107.04961	12.1
107.08591	37.7
109.02875	21.0
109.06499	14.4
109.10164	15.1
111.04422	9.3
111.08053	7.9
115.05444	4.6
117.07024	24.6
119.07816	2.7
119.08585	31.9
121.06480	8.8
121.10154	18.6
123.04427	5.2
123.08022	5.5
123.11703	4.8
125.09637	16.8
127.03922	13.3
128.06223	3.9
129.07019	14.6
130.07796	2.6
131.04906	3.1
131.08572	28.3
133.06485	5.2
133.10133	22.3
135.08063	7.1
135.11679	8.3
137.09624	3.4
141.06979	5.9
142.07753	3.6
143.08546	12.6
145.06447	6.8
145.10120	19.0
147.08049	7.4
147.11682	14.7
149.13304	12.6
151.11098	2.4
153.09070	3.8
155.08521	6.7
157.10120	12.3
159.11693	16.6
161.09593	7.6
161.13246	3.4
163.11130	3.7
165.12767	3.2
168.05600	2.4
169.10100	8.2
171.11681	6.3
173.04469	3.7
173.09572	4.2
173.13268	5.7
175.11131	6.9
177.12706	4.1
181.10143	4.0
183.11734	4.7
185.09564	3.0
185.13203	4.7
187.11180	2.5
187.14931	2.8
189.11171	10.4
189.12732	3.6
193.09958	2.4
193.12225	6.9
195.13809	10.1
197.13184	4.6
201.12692	2.6
211.13153	4.6
213.12767	3.2
223.13173	15.4
227.12744	7.2
229.12280	2.5
245.18980	3.2
257.19360	3.1
267.15952	4.6
269.17468	5.6
273.18539	15.9
275.20132	6.9
291.19534	89.0
333.13187	3.9
339.18179	6.9
347.22430	2.9
365.23389	5.5
395.20563	7.4
417.22711	3.2
435.32834	2.9
527.37177	7.5
528.37805	5.2
541.35199	11.5
559.35870	10.0
563.81036	2.7
583.20166	4.0
593.34961	2.6
611.35522	4.4
629.36475	4.2
667.38263	3.3
685.39246	13.9
703.40161	100.0
704.40430	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	702.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13479	0.5
52.81092	0.5
53.03934	0.8
55.01865	1.2
55.05510	10.4
57.03440	2.8
57.06783	0.6
57.07071	10.4
61.02914	1.0
67.05503	13.9
69.03415	2.2
69.07069	4.9
71.04977	0.5
71.05799	1.0
71.08630	4.6
73.02913	1.4
73.06525	0.7
76.07526	0.5
79.05492	6.4
81.03410	1.4
81.07055	12.8
83.08617	7.1
85.02885	1.3
85.06519	0.7
85.10175	2.1
87.04457	1.8
89.06028	16.4
91.05461	4.7
93.07043	7.2
95.04935	1.0
95.08607	9.2
97.02848	1.0
97.10168	11.3
105.07002	2.9
107.04902	0.5
107.07073	1.1
107.08596	6.3
109.10178	5.1
111.08104	0.9
117.07005	1.6
119.08554	1.2
121.10149	3.4
123.11681	1.1
125.09627	10.5
127.03922	0.7
131.08562	1.5
133.08591	10.4
133.10138	1.7
135.08046	1.2
135.11690	2.3
137.13210	0.5
143.10735	0.5
143.26439	0.5
145.10156	1.3
147.11699	0.6
149.13243	0.6
157.10179	0.7
159.11658	0.9
161.13286	1.2
177.11197	2.9
189.11205	8.6
227.12776	15.7
227.20045	100.0
228.20316	0.8
243.21091	1.4
245.13853	19.2
261.22144	5.4
271.22607	2.1
335.25787	19.5
359.27731	1.0
360.26169	0.6
363.07373	0.6
445.44620	0.5
468.37485	1.0
484.35715	0.5
487.34045	1.4
500.32730	0.5
505.35214	11.4
506.68524	0.6
520.74738	0.6
702.48804	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75751	0.3
53.03951	0.7
55.01859	1.1
55.05511	12.2
57.03440	2.9
57.07076	9.2
59.04985	0.5
61.02913	1.0
65.03935	0.6
67.05506	14.4
68.05825	0.5
69.03429	2.1
69.06732	0.4
69.07075	4.6
71.04961	0.4
71.08635	4.5
71.60458	0.4
73.02930	1.6
73.06556	0.8
77.03925	0.3
79.05497	8.2
81.03407	0.8
81.07059	12.4
83.04964	1.0
83.08147	0.5
83.08618	7.7
85.02885	0.8
85.06546	0.6
85.10193	1.9
87.04472	1.9
89.06036	14.0
91.03930	0.4
91.05481	4.1
93.07044	9.1
95.04962	1.1
95.08607	10.7
97.02901	0.5
97.06525	0.6
97.10174	14.8
99.04449	0.3
99.08089	0.3
101.09640	0.4
105.07033	2.9
107.07063	1.2
107.08594	8.7
109.06515	0.4
109.10156	5.2
111.08073	1.0
117.07034	1.2
117.09148	0.4
119.08566	1.7
121.10166	3.4
123.11716	1.1
125.09631	13.7
130.08627	0.7
131.07059	0.6
131.08543	1.7
133.08603	9.6
133.10083	2.0
135.08029	1.3
135.11670	2.4
143.10664	0.5
145.10147	0.9
147.11691	1.1
149.13254	1.3
151.14839	0.3
153.09105	1.1
158.10941	0.3
159.11693	0.6
161.13304	0.7
163.11230	0.3
163.14792	0.7
171.10237	0.8
173.13240	1.0
177.11255	2.7
189.11220	11.3
201.16379	0.3
206.49872	0.3
227.12793	19.9
227.20059	100.0
243.21098	1.6
245.13852	22.8
261.22150	6.9
271.22607	2.1
279.23087	0.5
313.27222	0.4
317.24640	1.3
335.25803	22.8
359.27811	0.9
431.31207	0.5
467.37436	0.4
468.37442	1.1
487.34232	1.8
505.35254	16.1
523.36066	0.7
702.49603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
54.06392	0.4
54.42567	0.4
55.01862	0.5
55.05506	1.9
56.96572	0.9
57.03434	0.7
61.02935	0.5
67.05505	3.0
69.03426	1.3
69.07055	1.2
70.74144	1.0
70.74531	0.7
79.05502	2.3
81.03413	2.2
81.07057	2.4
83.05003	0.7
85.02907	0.7
91.05462	2.1
93.07034	2.1
95.04993	0.7
95.08595	1.7
97.02875	0.7
105.07033	1.8
107.04969	0.6
107.08600	1.1
109.10149	1.1
117.07008	1.3
119.08590	1.3
121.10187	1.0
123.08086	0.5
127.03929	0.5
129.06992	0.7
131.08588	0.9
133.10121	0.6
135.11716	0.4
143.08588	0.9
145.06580	0.6
145.10136	1.2
147.11717	0.6
149.02281	0.5
155.08521	0.7
157.10167	0.6
159.11690	0.5
171.11684	0.5
173.04517	0.6
173.09488	0.4
173.13170	0.4
175.29315	0.4
183.11682	0.7
185.04297	0.8
195.11687	0.5
203.05295	2.1
209.13382	0.5
223.14627	0.6
250.45145	0.4
259.07956	1.1
271.17007	1.0
281.17496	0.5
315.16428	0.5
321.22754	0.9
333.17468	2.2
339.23761	0.5
347.09567	0.9
351.18539	1.2
365.10522	3.1
374.19788	0.4
421.13303	1.3
539.31763	19.9
540.32355	0.4
554.76825	0.4
567.31512	0.5
579.95959	0.4
654.94202	0.4
701.37128	100.0
702.37439	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23460	0.8
55.05516	5.3
57.03445	4.3
57.07076	40.0
61.02927	11.9
67.05507	13.3
67.08092	1.0
69.03434	1.5
69.07061	7.6
69.83372	5.6
71.08633	30.4
73.02916	5.8
75.04466	2.2
79.05480	1.5
81.03418	1.5
81.07055	18.9
83.08623	9.3
85.02908	17.7
85.06539	1.4
85.10184	16.8
91.03951	13.9
91.05495	1.1
93.07042	2.5
95.08607	22.8
97.02908	7.4
97.10163	9.1
99.04443	1.1
99.11736	1.5
105.06974	1.1
109.02845	2.1
109.10152	14.5
111.11728	4.8
119.08613	1.0
121.10164	0.9
123.11703	4.9
124.81818	1.0
125.13226	1.0
127.03909	5.0
131.87024	1.0
136.06207	3.0
137.13275	2.4
145.04958	6.7
151.14873	1.2
163.06027	12.0
229.14420	1.9
249.25890	1.2
267.26825	22.3
285.27914	3.7
311.47122	1.0
335.25851	1.0
341.30499	100.0
342.30917	1.6
355.53616	0.9
359.31528	28.8
390.23611	1.1
445.20059	1.1
489.35526	1.1
528.57208	1.0
700.44702	32.5
701.45795	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	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15844	0.1
55.05509	0.2
61.02934	0.1
67.05500	0.4
69.93197	0.8
73.20208	0.1
74.04790	0.1
76.70316	0.1
79.05508	0.4
79.53568	0.1
81.03415	0.2
81.07071	0.2
83.08604	0.1
85.02919	0.2
89.48991	0.2
93.07080	0.2
95.08620	0.2
107.54194	0.1
119.01945	0.3
133.03543	0.3
138.12477	0.2
161.02975	0.3
172.28430	0.1
173.03024	0.4
185.04216	0.5
203.05367	0.2
245.05014	0.3
259.07883	0.4
277.07809	0.2
301.20129	1.3
305.07236	0.3
319.21359	0.3
347.09692	0.8
360.16208	0.2
375.24991	0.2
421.12967	0.2
537.30347	17.3
538.30737	0.8
660.29938	0.2
699.35577	100.0
700.35889	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74387	0.2
53.04799	0.2
55.05500	1.1
57.03424	0.8
67.05504	2.5
69.07062	0.9
71.04995	0.4
71.60758	0.3
79.05498	3.1
81.03417	0.6
81.07063	2.8
83.04987	0.3
83.08631	0.4
91.05471	2.6
93.07043	3.2
95.04956	0.8
95.08603	1.9
97.10165	0.3
102.16560	0.3
105.07041	2.1
107.05003	0.3
107.08569	1.4
109.10172	0.8
117.07020	0.8
119.08601	1.4
121.10162	0.5
129.07004	0.6
131.08585	0.9
133.10123	0.9
143.08569	0.6
145.10182	0.8
147.11728	0.6
159.11691	0.4
173.13220	0.2
179.65736	0.3
192.95024	0.2
227.20215	0.7
228.20515	0.6
247.13162	0.9
262.25366	0.4
263.25537	0.3
303.15765	0.9
315.19476	0.8
333.20367	11.3
389.22971	6.8
405.97568	0.3
451.74829	0.3
459.16220	0.3
613.37231	2.4
691.17218	0.3
699.44391	100.0
700.45154	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17840	0.3
62.27485	0.4
63.06655	0.4
67.05493	0.8
69.03439	0.8
69.55541	3.3
70.06586	0.9
75.75115	0.4
81.03468	0.6
83.04984	0.9
84.08137	0.6
85.02913	1.2
87.73529	0.4
88.11145	0.4
91.05490	1.8
93.03398	0.5
97.02901	0.5
98.21574	0.7
105.07050	0.5
107.05013	0.4
109.02914	0.6
110.06054	0.4
111.04444	1.0
117.03407	0.5
119.04973	1.8
123.04437	0.6
123.67486	0.4
124.07617	0.7
127.03927	1.1
135.04463	0.6
136.07564	1.9
137.05986	0.6
139.03835	0.4
143.05653	3.6
145.02867	0.8
146.58371	0.4
147.04449	2.3
151.03801	0.6
154.08600	0.4
156.06641	0.7
163.03940	0.7
164.07150	0.5
167.07103	0.5
168.06577	0.6
169.02658	1.2
175.03917	0.7
177.05449	2.3
179.03238	1.0
181.05003	0.6
197.04224	3.7
199.57513	0.4
207.06586	1.5
208.09778	0.6
210.35913	0.4
215.05339	3.2
215.08147	0.4
227.08240	0.6
231.11256	0.6
242.10706	0.5
273.12460	0.6
291.13419	0.9
299.08771	0.5
309.14645	0.5
313.11859	1.4
315.08435	1.4
331.12985	0.4
339.10568	0.6
341.11316	0.8
343.07941	2.9
351.08035	0.7
359.12192	0.5
361.08969	9.0
373.14160	2.8
479.13181	3.0
492.20343	0.4
507.12692	2.7
525.13782	4.6
589.22913	0.5
607.17975	0.8
621.24805	0.6
631.23895	1.4
635.17664	2.1
637.18909	0.9
649.25055	1.1
653.18640	4.1
663.16687	1.3
663.26483	0.6
681.17773	10.5
681.27881	1.4
682.16901	0.6
699.18951	100.0
700.19110	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	698.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.05515	27.9
57.03447	6.8
57.06860	1.3
57.07080	13.9
61.02632	2.2
61.02926	23.0
65.03923	1.5
67.05505	41.6
69.03419	3.7
69.07069	45.2
69.62315	10.5
71.04993	2.2
71.08627	10.5
73.02912	7.7
74.09709	2.3
75.04482	1.8
79.05499	17.8
81.03412	5.7
81.07059	45.2
83.04984	1.4
83.08622	36.8
85.02420	2.1
85.02908	25.7
85.06544	2.6
85.10177	5.9
87.04504	1.5
91.03950	23.4
91.05481	5.4
93.07050	25.0
95.04979	3.1
95.08611	41.6
97.02883	11.3
97.06548	7.3
97.10170	24.5
99.08075	2.6
104.55779	1.2
105.07063	2.2
107.08598	18.8
109.09459	2.1
109.10154	22.3
111.08087	5.8
111.11729	7.2
112.00904	1.4
117.07044	1.3
119.08601	1.6
121.10145	37.5
123.11706	7.5
125.09607	3.2
125.56047	1.3
127.03893	7.6
131.08542	1.5
133.10167	2.1
135.11700	26.4
136.06190	66.7
137.13252	3.6
139.11215	2.2
145.05003	11.6
149.13254	12.7
151.14795	3.1
152.05696	1.8
153.12744	2.6
163.06015	17.8
163.11095	1.5
163.14827	4.6
165.16422	3.8
167.14307	2.3
177.16469	2.3
191.17906	2.2
193.12303	1.5
212.86508	1.5
247.24223	35.0
265.25272	89.5
266.25562	2.7
267.15948	2.0
283.26352	18.0
339.28952	100.0
340.29239	2.0
357.30014	55.3
460.68649	1.5
501.34140	2.4
510.78439	1.5
698.44623	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	697.3766
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03945	0.5
55.01873	0.4
55.05513	0.9
55.63743	0.3
57.03435	1.9
61.02926	4.3
67.05508	5.6
69.03427	3.6
69.07059	1.6
69.86938	1.8
71.04992	3.4
73.02913	2.8
77.95914	0.3
79.05492	3.0
81.03422	2.0
81.07054	6.8
83.04968	0.7
83.08604	1.5
85.02901	4.2
85.06525	0.8
91.03944	2.6
91.04366	0.2
91.05482	3.1
93.07047	4.0
95.04964	0.8
95.08614	1.3
97.02886	3.6
97.06544	1.2
98.21371	0.6
99.04454	0.6
99.08117	0.3
101.02374	1.6
103.03961	0.5
104.49300	0.3
105.07034	1.5
105.49447	0.3
107.08588	2.8
109.02884	1.1
109.06484	0.5
109.10165	1.6
111.08093	0.7
115.03941	0.4
117.07044	0.8
119.08570	0.5
121.10120	1.4
123.11724	0.8
125.78938	0.3
126.24261	0.3
127.03886	1.6
129.05467	0.3
131.08582	1.0
133.10121	2.1
135.08076	0.3
135.11740	0.7
145.05014	0.3
147.11667	0.6
149.13300	2.0
151.11189	0.8
159.11707	1.3
173.11748	0.6
177.12830	0.5
183.13855	0.4
185.04254	0.7
187.13362	0.8
195.13783	0.3
203.05420	0.4
229.14325	0.4
235.13103	0.8
243.08408	2.5
257.17499	0.6
267.15738	1.3
269.17676	0.6
291.15961	0.4
301.09003	0.6
349.17191	0.3
360.54843	0.3
371.17001	0.3
413.17871	1.9
425.21494	0.4
441.20862	0.4
453.20959	8.5
485.23865	6.7
535.32025	0.3
541.26239	0.5
567.31342	2.5
596.32159	0.8
625.31909	11.0
626.32184	0.5
628.30383	0.4
651.34113	0.6
697.37659	100.0
698.37933	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	697.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23012	0.8
53.03888	0.7
55.01820	1.3
55.05434	1.8
55.05672	0.7
57.03362	2.4
61.02848	7.0
61.03180	0.8
67.05422	13.2
67.05820	1.5
69.03347	3.8
69.06987	2.0
71.04937	1.2
71.24388	0.6
71.28893	0.6
73.02828	5.2
79.05487	3.4
81.03324	2.6
81.06966	6.4
83.04903	1.1
83.08531	1.9
85.02811	7.5
85.06487	0.7
87.04417	0.7
91.03860	5.5
91.05384	3.1
91.05896	1.0
93.06948	3.5
95.04887	1.1
95.08501	3.3
95.09122	1.0
97.02889	7.3
97.06477	1.1
98.21616	1.0
98.97504	0.9
99.04356	1.8
101.02265	2.7
105.06924	1.8
107.08488	2.9
109.02779	1.7
109.10154	11.4
110.07072	0.8
111.08015	0.9
117.06956	1.0
119.08480	1.7
121.06487	0.6
121.10081	1.1
123.11607	0.6
127.03956	3.3
127.04631	0.7
129.05385	1.5
131.08467	0.8
133.10033	0.9
135.11598	1.3
142.43701	0.6
147.11577	0.7
149.01085	1.8
149.13171	1.0
156.03546	1.4
173.11754	4.5
174.80745	0.6
176.57610	0.6
181.04596	0.9
185.04187	3.9
195.09853	1.2
199.05780	0.9
201.03667	1.5
203.05220	0.6
221.11328	1.4
227.05241	0.7
229.14389	3.3
229.21838	0.6
235.12871	1.2
243.08414	4.8
251.12424	0.7
254.34599	0.6
261.22260	0.7
265.13977	1.3
267.77634	0.6
287.05716	0.6
293.13416	0.6
301.08978	7.9
311.14828	0.7
315.10419	2.8
329.11932	1.3
357.15045	0.7
358.16324	3.9
358.66577	5.9
359.16525	1.0
369.15085	1.0
371.16837	5.1
373.11142	3.0
385.18091	3.1
389.26508	1.1
413.17816	21.7
425.21515	4.0
429.17099	2.2
443.18842	1.3
453.20984	5.9
457.20206	0.8
463.26770	2.2
481.18585	2.4
483.22131	1.3
484.22711	1.7
485.19772	7.3
497.23917	1.6
499.20914	3.3
516.22498	1.0
541.26318	3.7
553.29492	1.4
567.31409	23.1
568.31970	1.0
579.30731	0.9
596.31543	7.2
597.32251	1.4
600.30597	1.0
625.31915	100.0
626.32031	2.4
628.31775	5.0
651.33447	9.5
653.34912	1.5
696.46979	0.7
697.34045	34.4
697.45795	1.4
698.35291	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01873	0.5
55.05507	1.0
57.03438	1.6
61.02932	3.8
63.04481	0.2
67.05505	2.7
69.03431	2.8
69.07059	1.2
69.46028	2.3
71.01362	0.5
71.04991	1.0
71.19711	0.2
73.02920	2.5
79.05495	2.7
81.03419	5.1
81.07064	2.8
83.04993	1.2
83.08638	1.5
85.02906	6.2
85.06551	0.4
86.03225	0.3
91.03967	2.3
91.05487	4.7
93.07047	2.0
95.04977	2.2
95.08624	1.4
96.75787	0.2
97.02900	4.6
97.06526	0.9
97.10175	0.3
99.04470	1.0
101.02383	1.9
103.03934	0.3
103.05482	0.4
105.07034	2.6
107.04952	0.8
107.08601	1.4
109.02886	1.3
109.06551	0.7
109.10187	0.5
111.04458	0.3
111.08083	0.7
115.03930	0.4
115.05456	0.5
115.39590	0.2
117.03417	0.3
117.06973	0.5
119.04942	1.0
119.08561	1.5
121.06595	0.4
121.10117	1.2
123.04511	0.3
123.08054	0.4
123.11736	0.4
125.09522	0.2
127.03939	1.8
127.67632	0.2
129.05461	0.4
129.07013	1.0
131.04980	0.3
131.08574	1.5
133.06479	0.5
133.10156	1.5
135.04422	0.4
137.05978	1.6
137.09682	0.3
142.07813	0.4
143.05693	0.6
144.09444	0.2
145.02879	0.9
145.04926	0.5
145.10161	0.7
147.04391	1.4
147.08102	0.5
147.11674	1.7
149.09624	0.8
151.03908	0.2
153.01857	0.4
157.10187	1.6
163.03960	0.3
163.11305	0.4
167.07057	1.3
175.03928	1.1
175.07640	0.3
175.11226	1.0
177.05486	1.7
178.05911	0.5
184.12047	0.3
185.04280	0.5
193.12259	2.1
203.05238	0.3
205.08699	0.3
207.06500	2.3
211.13344	1.0
229.67091	0.2
243.08443	2.0
251.12581	1.7
271.05988	0.6
285.17093	0.5
287.05511	10.3
288.05902	0.7
307.15161	0.6
363.12378	0.3
469.20456	11.4
517.29932	0.6
535.30402	0.5
679.33759	0.3
697.34021	100.0
698.34674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	1.0
65.78331	0.8
67.05489	1.8
69.03418	2.9
69.07063	1.8
70.96797	2.5
73.28652	0.8
75.97076	1.0
79.05451	1.3
79.45128	0.9
81.03414	1.4
81.07054	2.8
85.02845	2.5
91.05491	2.7
94.06564	2.3
97.02924	1.4
105.07036	2.4
107.05000	0.9
112.07597	1.1
119.04978	1.5
122.06027	3.9
123.11655	1.5
131.04932	1.3
136.07623	1.2
137.06026	2.3
138.09186	1.2
140.07117	4.7
143.05666	2.6
145.02846	1.9
146.06009	4.3
147.04410	1.1
147.11682	1.7
148.07568	1.1
152.07082	3.4
154.08646	4.5
165.12747	1.2
167.07066	2.1
172.03943	5.2
174.05507	4.5
176.07074	3.9
177.05440	2.8
179.07059	1.1
190.05002	2.5
194.08173	3.9
196.09785	1.2
204.06596	2.6
206.08244	1.0
207.06502	3.2
208.76698	1.0
223.12245	1.6
225.10254	9.6
226.10892	1.4
237.10201	5.3
238.11099	1.3
239.07869	1.1
239.11734	2.6
240.12492	4.7
241.09822	1.5
243.11386	2.0
249.10223	4.4
250.10956	3.3
251.11832	5.7
252.12608	1.3
253.09686	9.2
253.13416	2.0
255.11356	1.1
263.11801	2.3
265.09769	9.8
266.10434	3.3
267.11349	7.3
267.15839	1.8
268.11807	1.3
271.05975	5.4
277.09818	2.0
278.10464	3.1
279.08350	1.3
279.11209	7.1
280.12061	2.1
281.12827	3.6
282.09857	1.5
283.10822	2.7
285.12341	3.3
285.17047	1.7
287.05496	5.9
287.10324	1.5
287.13754	1.3
291.11218	1.5
293.09238	23.0
293.12790	3.5
294.10010	15.0
295.10831	9.0
295.14127	1.8
296.11343	1.2
297.12302	10.1
298.13165	1.4
299.10672	1.1
299.13876	4.8
303.13470	3.4
306.10056	1.3
307.10730	1.5
308.11420	2.1
309.12317	27.4
310.12793	1.5
311.10269	3.2
311.13901	2.5
312.11270	5.7
312.14420	1.4
313.11859	6.3
318.15939	1.7
321.12424	1.2
323.13760	1.3
324.11133	2.0
325.11700	8.9
326.12512	1.2
327.13373	32.7
328.13779	1.3
331.12997	1.6
335.10132	4.2
336.11078	1.6
337.11780	3.5
339.13400	39.3
340.14157	7.0
341.14899	3.4
345.14484	2.2
346.15579	1.8
351.13327	6.3
352.10483	1.3
353.11346	7.5
354.11984	2.5
357.14523	1.0
360.16953	1.4
367.08319	2.3
367.12891	42.6
368.13477	9.0
369.14465	48.2
370.15076	1.5
371.12711	1.3
372.13409	1.7
373.14182	1.3
374.15015	1.7
385.13983	2.1
386.15005	3.2
387.15799	1.4
393.29904	0.9
399.15567	5.8
401.17148	12.4
404.15924	1.2
405.16345	1.2
406.17615	2.3
414.14569	1.8
415.15347	3.8
416.16080	6.6
434.17053	1.4
446.17212	1.4
474.16785	5.3
475.17288	3.5
476.18042	4.3
480.20981	1.6
482.22809	7.9
492.17587	2.0
508.20782	100.0
509.21408	8.5
517.17950	1.2
526.22101	4.6
540.23444	43.6
541.23792	3.5
572.50385	1.1
597.23926	2.3
615.24493	26.7
633.25696	5.6
647.26941	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80294	2.0
53.67541	2.2
56.05022	1.8
67.05507	2.9
69.03423	4.7
69.07051	2.1
70.06585	3.0
70.45827	8.1
71.04991	4.9
71.53672	1.7
81.03405	5.3
81.07073	2.6
85.02919	9.4
87.06724	4.1
91.05471	3.6
93.65223	2.0
95.04967	4.1
97.02882	3.3
99.04433	3.3
107.04981	4.6
109.02866	5.0
110.06059	2.6
111.04504	2.5
119.08599	2.2
122.06023	10.8
123.04408	2.5
127.03941	4.1
129.05492	2.3
135.04370	2.4
136.07603	3.1
137.05978	7.6
140.07063	9.1
141.04204	2.2
143.05650	100.0
144.06032	2.5
145.02850	3.7
146.05995	5.3
147.04424	3.1
147.53001	1.9
153.01855	7.1
154.04996	4.8
161.05977	3.4
162.09160	3.5
166.08636	2.2
167.07060	11.2
172.03905	4.8
174.05511	6.1
175.03998	3.0
176.07030	3.9
177.05466	10.0
178.04810	2.0
181.04829	2.9
190.08583	2.6
191.07169	2.3
192.06548	2.3
199.08708	2.0
204.06577	9.0
206.08142	4.2
207.06560	4.4
208.09686	2.6
225.09976	2.7
229.04898	3.7
237.10255	4.8
239.11864	2.5
241.09776	2.9
243.11313	4.8
249.10268	3.3
251.11668	2.2
253.09631	2.6
257.04288	4.0
257.09253	2.3
265.09683	6.7
267.11261	6.2
271.05963	6.2
271.10721	2.7
278.10455	2.2
279.08124	2.5
279.11295	7.4
280.12033	3.4
283.10782	3.5
285.04102	3.3
285.12292	8.2
287.05533	23.5
287.10352	3.2
288.05658	3.1
295.10974	2.4
297.12390	2.7
301.11743	7.4
303.01584	4.2
303.05020	73.2
303.13373	9.3
304.05173	3.9
305.10947	2.7
309.12253	2.2
313.11707	9.9
325.11655	7.2
327.13416	16.9
329.11343	2.8
331.12949	4.2
339.10083	2.9
339.13489	31.0
345.14499	3.7
353.11041	3.7
355.12390	2.1
367.12943	28.8
368.13602	3.1
373.14142	3.1
374.14487	6.0
385.14072	4.7
386.15317	2.4
398.18280	2.4
399.15692	4.4
404.16254	2.4
414.14093	4.0
415.15289	3.8
416.15918	7.2
428.15396	2.2
446.17218	2.3
466.16016	2.7
474.16418	5.9
475.17422	3.4
476.18179	3.4
490.16254	2.4
508.20959	28.2
524.19891	3.2
526.21729	4.6
540.23389	35.9
551.10358	3.0
573.23236	2.2
593.23553	2.7
615.16656	2.4
615.24585	26.3
629.22003	4.1
647.26642	3.2
661.24475	2.6
697.19165	4.9
697.30762	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	697.1607
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
50.36087	0.1
50.36657	0.1
55.95586	0.1
56.96534	0.1
57.03416	0.1
61.02891	0.1
67.01842	0.2
68.88506	0.1
68.99780	0.2
69.03385	0.2
69.76484	0.2
69.76904	0.3
70.06556	0.2
70.74466	0.1
73.02902	0.1
75.04401	0.1
75.73561	0.1
81.03394	0.3
83.25236	0.1
84.08108	0.1
85.02910	0.4
86.09680	0.1
91.05448	0.3
93.07024	0.1
95.08598	0.1
97.02863	0.1
99.04467	0.1
100.11210	0.1
106.33411	0.1
107.04902	0.1
109.02850	0.2
116.98561	0.1
117.03348	0.1
119.04933	0.1
119.50004	0.1
121.02872	0.1
122.06016	0.1
127.03897	0.2
129.01749	0.1
135.04416	0.9
136.07539	0.2
137.02319	0.3
137.06017	0.2
140.06992	0.1
142.04933	0.1
143.05663	1.0
145.02817	0.1
145.04958	0.1
147.04364	0.1
149.09555	0.1
153.01823	2.6
156.06538	0.2
161.02327	0.3
162.09105	0.3
163.03867	0.1
164.07037	0.1
167.07040	0.1
171.02879	0.7
175.03915	0.2
177.05479	0.2
178.04974	0.1
179.03407	0.2
180.10139	0.3
199.04150	0.1
207.06482	0.3
208.09674	0.9
209.15306	0.1
213.12306	0.1
217.04761	0.1
221.38271	0.1
241.04918	0.3
243.11241	0.2
257.09409	0.1
257.28210	0.1
259.06055	0.1
259.10733	0.1
267.11200	0.1
269.04480	0.3
271.10730	0.1
286.04770	0.1
287.05478	100.0
288.05814	0.8
295.06052	0.2
295.10593	0.1
301.11472	0.1
307.06079	0.1
313.11789	0.1
319.12881	0.3
321.07635	0.1
325.07095	0.2
327.13165	0.1
333.10999	0.1
335.12433	0.2
337.07074	0.1
337.13712	0.1
345.14316	0.2
363.15558	0.8
379.08127	0.3
449.10779	13.1
450.11176	0.2
481.10986	0.1
490.18134	0.1
491.11819	0.3
499.12381	0.1
517.09631	0.1
535.10803	5.2
611.16003	1.1
653.16187	0.1
679.15643	0.2
679.26105	0.1
697.15778	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.16
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.34295	0.1
55.05497	0.2
55.27629	0.1
56.37111	0.1
59.94860	0.1
63.90841	0.1
67.01827	0.2
68.99780	0.2
69.03391	0.5
69.52093	1.2
70.06578	0.1
71.04973	0.1
81.03370	0.4
81.60780	0.2
83.08605	0.2
84.08098	0.2
85.02907	0.9
85.99827	0.1
91.05478	0.2
97.02858	0.5
100.11246	1.0
105.06974	0.2
107.04888	0.1
109.02863	0.3
111.26683	0.1
119.04931	0.3
123.04463	0.2
127.03896	0.4
131.04944	0.1
133.06459	0.2
135.04422	0.9
136.07536	0.2
137.02319	0.3
137.05949	0.4
142.21516	0.1
143.05641	1.1
145.02802	0.3
147.04413	0.3
151.03889	0.2
153.01816	2.9
161.02371	0.3
161.05978	0.3
162.09126	0.2
163.03918	0.3
167.07002	0.4
171.02846	0.4
175.03847	0.3
177.05437	0.4
179.03389	0.3
182.15344	0.3
202.90192	0.1
207.06528	0.3
208.09714	0.5
209.16440	0.2
210.14903	0.5
241.04973	0.5
241.09785	0.1
246.14813	0.2
259.05905	0.2
269.04404	0.3
271.06015	4.4
283.10773	0.2
286.04526	0.1
287.05484	100.0
288.05804	0.9
301.11670	0.3
303.04996	1.2
313.11862	0.2
329.06586	0.2
363.15527	0.4
373.13995	0.2
433.11023	0.2
449.10779	32.7
450.11285	0.3
490.18051	0.2
491.12775	0.2
505.25305	0.2
517.09882	0.2
535.10663	1.6
550.78827	0.2
563.40912	0.2
611.15820	1.3
629.23401	0.2
679.25488	0.3
697.15894	2.7
697.26837	1.0
697.52185	1.5
716.32574	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	696.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
54.07226	1.0
55.01871	1.6
55.05505	17.0
57.03445	6.7
57.07064	9.1
61.02924	24.0
65.03939	1.2
65.28882	1.2
66.51810	1.1
67.05500	67.0
69.03421	4.2
69.07063	23.9
70.30826	2.3
70.31218	2.9
71.04990	3.1
71.08626	4.7
72.83604	1.0
73.02917	9.6
79.05484	20.1
79.05907	1.9
81.03416	3.3
81.07051	80.6
83.04984	2.4
83.08614	21.2
83.52002	1.3
85.02904	27.5
85.06535	2.1
85.10183	4.3
91.03947	20.6
91.05463	17.1
93.07037	23.6
95.04981	2.4
95.08602	69.1
97.02879	14.3
97.06517	5.7
97.10172	13.9
99.04481	2.0
99.08095	4.8
105.07039	10.9
107.08589	18.5
109.02837	1.4
109.06551	1.2
109.10149	35.2
111.08070	3.3
111.11740	4.0
112.38204	1.4
113.09645	1.9
115.03944	1.9
119.08559	12.4
121.10137	22.6
123.08092	1.4
123.10845	1.3
123.11711	18.7
125.09657	1.9
127.03879	6.0
127.11175	1.2
130.69424	1.2
131.08600	2.4
133.10118	13.5
135.11679	13.4
137.09563	1.2
137.13242	7.5
139.11211	1.7
141.12746	3.9
145.04968	11.3
147.11676	10.4
149.13234	10.3
151.11165	2.1
151.14804	6.8
155.14287	2.5
161.13252	12.3
163.06007	17.4
163.14841	10.0
165.12799	1.3
165.16365	8.2
175.14806	8.5
177.16298	1.3
179.17935	7.4
181.15877	1.4
189.16383	4.7
203.17941	2.9
207.17265	1.1
220.56297	1.3
225.70299	1.2
245.22643	65.8
263.23688	100.0
265.25189	3.0
281.24692	3.1
337.27341	66.4
355.28491	11.7
427.92639	1.3
499.32843	5.7
514.61664	1.4
696.36456	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	695.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00093	0.2
55.01855	0.5
57.03396	0.2
61.02946	0.2
62.99903	0.2
67.05464	0.4
69.03407	0.4
69.07037	0.6
70.06566	0.5
71.04962	0.2
71.60825	0.2
81.03401	0.4
81.07069	0.2
85.02871	0.6
85.70559	0.2
91.05440	0.2
91.37034	0.2
93.07022	0.2
94.06551	0.2
95.04946	0.4
97.06503	0.2
100.11204	0.2
103.05421	0.3
107.04978	0.2
108.03936	0.2
108.04487	2.0
108.08112	0.4
109.02874	0.5
111.04407	0.3
119.04910	0.3
120.04440	0.2
122.06004	0.6
123.04386	0.4
127.03931	0.4
131.04887	0.2
136.07552	0.6
137.05949	0.4
138.05460	0.5
140.07037	1.2
143.04604	0.2
143.05644	4.1
144.79556	0.2
145.02792	0.3
145.06418	0.2
146.06001	1.1
147.04385	0.3
148.03941	0.4
148.07593	0.8
150.05444	0.4
154.11250	0.2
163.03877	0.2
166.04964	0.6
167.07056	2.1
168.06563	3.2
173.05969	0.3
174.05476	0.7
175.03903	0.2
177.05452	0.6
180.28966	0.2
181.04921	0.4
182.15359	0.3
192.06577	0.2
194.09712	0.3
196.11211	0.4
197.10782	0.3
198.09300	0.3
199.08693	1.0
204.06607	0.5
206.08128	1.2
207.06462	0.3
209.05925	0.2
209.08119	0.2
209.10786	0.2
210.07608	0.2
210.09357	0.3
210.11452	0.3
211.08656	3.7
211.12262	0.8
212.09351	1.2
212.94771	0.2
213.10320	1.0
214.11026	0.3
215.06984	0.2
221.10782	1.1
222.09300	1.1
223.08611	0.5
223.12254	0.5
224.10674	1.3
225.10254	4.4
226.08800	0.3
226.10736	0.8
227.08231	0.9
227.11768	0.4
237.10222	0.2
238.11023	0.3
239.08037	0.6
239.11771	8.0
240.08691	0.8
240.12346	0.4
241.09720	2.0
241.13390	0.9
242.10425	0.7
249.10208	0.6
250.08667	1.2
250.10950	0.3
251.08105	0.9
251.11852	0.5
252.08943	1.3
253.09718	4.8
254.10428	0.6
255.11205	0.8
256.11975	0.3
257.09024	0.2
257.12872	0.6
265.09500	0.2
266.10413	0.2
267.07938	0.4
267.11292	11.1
268.12091	0.4
269.09695	0.3
269.12805	1.5
271.06052	0.7
271.10431	0.2
273.12384	0.2
278.08206	0.4
279.11179	0.2
280.08438	0.5
281.09232	0.7
283.10571	0.2
284.11560	0.7
285.09183	0.3
285.12326	1.2
295.10776	5.6
296.08777	0.2
297.12344	1.2
298.10443	0.2
299.10379	0.4
305.14655	0.2
313.11813	38.9
314.12354	0.9
315.13382	0.7
323.10257	1.4
327.13397	0.3
337.06955	0.2
341.11295	11.4
342.12128	0.4
355.12875	1.7
359.12347	4.0
373.13937	100.0
374.14261	2.5
399.15451	0.3
417.15594	0.3
535.15076	0.3
627.24487	0.6
641.25800	0.2
645.25458	0.5
651.09888	0.2
659.26984	1.3
677.27899	0.6
695.25519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01840	0.6
56.04987	0.3
56.91846	0.2
65.03910	0.3
67.05460	0.5
69.03397	0.7
69.07034	0.7
69.58477	1.8
70.06555	0.5
71.04967	0.3
79.05495	0.5
81.03392	0.4
81.07014	0.3
83.04908	0.3
84.08121	0.5
85.02863	0.9
91.05436	0.5
93.07024	0.2
94.06532	0.4
95.04922	0.7
95.08561	0.3
95.41281	0.2
97.02869	0.5
105.06984	0.3
108.04477	2.5
108.08083	0.3
109.02853	0.5
109.06457	0.3
111.04424	0.3
119.04901	0.6
119.08559	0.3
120.04424	0.3
121.02853	0.3
121.10096	0.3
122.06029	1.1
123.04398	0.4
123.08048	0.2
124.07623	0.3
127.03841	0.7
136.07605	1.0
137.05927	0.9
138.05444	0.7
140.07056	1.4
143.05646	3.8
144.05910	0.4
145.02805	0.6
146.06032	1.6
147.04376	0.7
147.06796	0.3
147.07948	0.3
148.03880	0.4
148.07513	0.9
150.05476	0.5
151.03868	0.3
163.03899	0.3
163.07487	0.3
164.07011	0.2
166.04964	0.6
167.07022	2.3
168.06577	3.8
172.03940	0.4
173.05902	0.4
174.05586	1.1
175.03827	0.5
175.07471	0.3
177.05478	1.3
181.04962	0.7
183.06624	0.2
184.09904	0.3
196.11298	0.4
197.10718	0.3
199.08755	1.1
201.05397	0.6
204.06548	0.8
206.08153	1.6
207.06491	1.0
210.07742	0.5
211.08669	5.6
211.12115	1.2
212.07288	0.2
212.09296	1.5
213.10236	1.5
213.13693	0.2
221.10703	0.9
222.09103	1.5
222.11340	0.4
223.08640	1.0
223.12309	0.3
224.10661	1.7
225.06709	0.2
225.10197	5.7
226.10997	0.8
227.08177	1.0
227.11725	0.5
229.09494	0.3
237.10242	0.6
238.10872	0.4
239.08167	1.3
239.11780	9.1
240.08939	0.9
240.12514	0.8
241.09778	1.8
241.13335	1.0
242.10457	0.7
243.11247	0.4
249.10211	0.9
250.08580	1.3
250.11070	0.6
251.08173	1.0
251.11790	0.7
252.08609	1.5
252.12431	0.3
253.05943	0.4
253.06767	0.4
253.09714	5.3
254.10468	0.8
255.11261	0.8
255.57022	0.3
256.12030	0.6
257.12836	1.2
259.10580	0.3
267.07953	0.7
267.11288	11.8
268.09421	0.4
268.12006	0.7
269.09671	0.4
269.12811	1.5
271.06076	0.4
271.10797	0.4
273.12399	0.4
275.13910	0.4
277.09708	0.4
278.07974	0.4
279.11279	0.3
280.08405	0.3
281.09198	0.9
283.10764	0.5
284.11438	0.8
285.09155	0.4
285.12350	1.6
287.05591	0.4
287.13895	0.5
288.07938	0.2
295.10770	6.9
297.12280	1.5
297.15219	0.3
299.10443	0.3
301.11853	0.5
303.04855	0.3
305.14932	0.4
313.11813	39.0
314.12299	1.3
315.13412	0.9
323.10236	2.4
327.13416	0.3
333.14328	1.2
341.11319	17.6
342.12247	1.1
353.11139	0.5
355.12851	2.5
359.12366	7.3
372.25769	0.2
373.13940	100.0
374.14307	2.6
389.09412	0.2
399.15646	0.5
442.17410	0.2
506.19144	0.4
518.19073	0.3
538.21814	0.3
609.23846	0.3
627.24463	1.6
641.26050	0.5
645.25403	1.0
659.27435	3.1
663.27045	0.4
675.40350	0.2
677.28229	1.8
695.25897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.05502	0.1
57.03437	0.3
59.33620	0.1
59.91507	0.1
67.01920	0.1
67.05505	0.1
69.03430	0.7
70.06594	0.4
70.95312	0.3
71.01365	0.1
71.04998	1.9
73.02913	0.3
79.05473	0.1
81.03418	0.5
81.07076	0.2
83.04986	0.5
85.02908	3.5
87.00822	0.3
87.04450	0.1
89.05982	0.1
91.05499	0.3
93.07031	0.2
95.04979	0.2
97.02898	0.4
97.06498	0.1
99.04457	0.3
103.05484	0.2
105.01881	0.2
105.07035	0.2
107.04939	0.1
109.02885	0.5
111.04459	0.4
119.04938	0.2
119.08591	0.1
120.08121	0.3
123.04466	0.2
125.02395	0.1
127.03906	1.1
129.05473	0.8
133.02902	0.1
137.06000	0.4
143.05670	0.6
145.02879	0.2
145.04964	0.2
147.02908	0.1
147.04367	0.2
147.06535	0.3
149.05975	0.2
151.03928	0.2
153.01865	0.4
159.02890	0.2
163.03876	0.1
167.07060	0.4
171.02919	0.3
175.03925	0.4
177.05453	0.6
178.06009	0.1
181.04961	0.2
189.03944	0.2
201.05452	0.2
207.06538	0.4
213.03859	0.2
228.27856	0.1
229.05045	0.3
231.04764	0.2
237.07719	0.1
254.10455	0.1
257.04510	0.2
258.05252	12.5
259.05719	0.3
271.06021	0.6
286.04721	33.5
287.05063	1.2
299.10132	0.1
301.07059	100.0
302.07379	3.1
303.04929	0.2
333.14459	0.2
341.11322	0.1
343.08231	0.4
343.12531	0.1
351.15561	0.1
363.21030	0.1
369.10983	0.1
429.11667	0.1
468.99115	0.1
506.19058	0.2
538.21405	0.1
549.12445	0.8
609.17706	0.5
695.17755	1.2
695.26874	0.1
723.08142	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	695.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.1
57.03442	0.4
61.02924	0.1
67.73826	0.1
68.30183	0.1
69.03429	0.5
71.01363	0.1
71.04999	1.7
71.12525	0.2
71.32424	0.1
71.69571	0.1
73.02896	0.2
75.04455	0.1
79.05478	0.1
81.03432	0.6
81.07085	0.1
83.04961	0.3
85.02914	3.3
85.03433	0.2
87.00799	0.3
90.71529	0.1
91.05451	0.1
96.54788	0.1
97.02882	0.3
99.04443	0.3
103.03929	0.1
105.01884	0.4
105.07045	0.1
109.02909	0.6
111.04479	0.4
117.05505	0.1
119.04964	0.1
121.06547	0.1
127.03923	1.0
129.05487	0.9
135.04454	0.1
137.05981	0.4
143.05650	0.6
145.04968	0.2
147.02905	0.1
147.04361	0.2
147.06499	0.1
149.05965	0.2
151.03946	0.2
153.01825	0.7
159.02925	0.2
166.53757	0.1
167.07079	0.4
171.02879	0.2
175.03912	0.2
177.05429	0.3
187.06056	0.1
189.03978	0.2
195.02783	0.1
201.05478	0.1
207.06593	0.1
208.09660	0.1
213.07562	0.1
219.66887	0.1
229.04878	0.3
231.05011	0.3
237.07404	0.1
239.11810	0.1
240.12462	0.1
241.13237	0.1
253.09645	0.1
255.11317	0.1
257.04422	0.2
258.05255	13.0
259.05603	0.3
267.11288	0.2
271.06082	0.2
273.12451	0.1
286.04730	33.5
287.05154	1.0
295.56287	0.1
297.12451	0.2
301.07071	100.0
302.07419	2.7
313.11743	0.5
341.11520	0.4
343.08151	0.2
373.13968	1.0
399.15500	0.1
443.43024	0.1
463.12292	0.2
531.11670	0.1
538.21387	0.1
549.12463	0.9
609.18445	0.6
627.24310	0.1
645.25916	0.4
651.18530	0.1
677.17218	0.1
677.27747	0.1
695.18030	1.8
695.28418	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	695.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.00112	0.2
55.01866	0.4
55.05499	0.5
57.03432	0.4
61.02914	1.0
62.01579	0.2
63.02385	0.7
65.03947	0.2
67.05494	1.1
68.99784	1.1
69.03426	2.0
69.07053	0.4
71.01340	0.9
73.02919	0.2
78.04700	0.3
79.05482	0.8
81.03413	2.8
81.07049	1.1
82.03767	0.2
83.04990	0.4
83.08614	0.4
84.08123	0.2
85.02918	1.0
85.06509	0.2
87.00812	0.7
89.03910	5.9
91.05486	1.8
92.05817	0.2
93.07029	0.7
95.04970	1.0
95.08588	0.5
97.02883	1.0
97.06501	0.3
99.04440	0.2
103.05444	0.6
105.03391	0.2
105.07031	0.8
106.04192	0.4
107.04939	0.4
107.08584	0.4
109.02873	5.9
109.06501	0.3
109.10132	0.2
111.04459	0.2
115.05386	0.4
117.03373	22.3
117.07007	0.4
118.93635	0.2
119.04932	1.3
119.08588	0.6
121.06480	0.4
121.10126	0.6
123.04449	0.3
123.11694	0.2
124.05224	0.3
125.09650	0.2
127.03927	1.1
128.06186	0.6
129.01820	1.8
129.06995	1.2
131.04941	1.2
131.08562	0.7
133.02861	0.2
133.06483	0.4
133.10114	0.5
134.03613	1.5
135.04387	1.8
135.08080	0.3
135.11594	0.2
137.02368	0.2
137.05975	1.7
137.09668	0.3
141.06976	0.8
141.11856	0.2
141.67625	0.2
143.04759	0.2
143.05733	0.3
143.08554	0.5
144.05695	0.6
145.02837	63.3
146.03252	0.2
147.02905	1.0
147.04396	3.8
147.11726	0.3
149.05972	8.3
151.03870	0.8
151.07494	0.3
152.72202	0.2
153.01826	1.0
153.06920	0.5
155.04892	0.7
156.05702	0.7
157.02777	0.2
157.06461	1.8
157.10106	0.3
158.06015	0.3
159.04381	0.4
159.07980	0.3
159.11691	0.2
160.05215	0.3
161.05978	0.8
161.09605	0.2
162.03061	0.3
162.05537	0.3
163.03842	0.9
163.07549	0.6
167.04889	0.3
167.07118	0.3
168.05661	0.3
169.06519	1.0
171.02927	0.3
171.04349	0.3
171.08015	1.1
172.05183	0.9
173.05977	0.9
174.06737	0.8
175.03908	0.6
175.07550	0.9
175.11105	0.3
177.05460	100.0
178.05812	0.5
179.03372	0.6
181.06453	0.7
183.04430	1.0
184.05167	0.7
185.05975	0.7
186.05457	1.9
187.07542	2.6
189.05470	1.4
189.09123	0.3
191.07034	0.6
193.12193	0.5
195.06516	0.2
197.05989	1.0
198.06821	0.3
199.07530	2.5
200.04675	0.7
201.05475	2.6
201.09073	0.3
202.06287	0.3
203.06920	0.3
205.04935	0.4
205.08664	0.4
207.06500	1.0
209.05917	0.3
211.03889	0.3
211.07507	0.3
211.13248	0.6
212.13589	0.5
213.03909	0.6
213.05612	0.3
213.09070	0.5
214.06233	0.5
215.07019	6.7
217.05002	0.4
217.08601	2.3
219.06534	0.2
221.04417	0.3
225.05440	0.7
227.06960	0.2
228.04140	0.8
229.04941	0.4
229.08533	1.1
231.06554	1.9
233.08084	4.8
239.06981	0.2
241.08685	0.9
242.05695	0.5
243.06517	4.3
245.08110	0.6
253.04976	0.4
257.08084	3.5
261.07571	35.7
267.06601	0.3
267.15845	0.5
270.05136	0.3
271.05997	22.1
272.06210	0.3
273.07611	0.5
275.09015	0.3
283.04395	0.3
285.07547	7.4
285.16888	0.4
286.17462	0.3
287.05399	1.4
287.17511	0.2
291.08459	0.4
301.07147	0.4
303.05130	0.7
303.08597	8.1
313.06982	0.4
315.07446	0.3
321.09741	0.7
389.08847	0.8
407.09677	4.7
418.82584	0.2
425.10757	9.3
460.27698	0.2
461.28656	0.2
479.29443	0.3
497.30298	0.3
498.29294	0.2
622.71356	0.2
644.71710	0.2
695.30621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
53.15122	3.1
55.01869	9.4
55.05514	34.1
57.03442	13.5
58.81239	2.6
65.03953	5.0
65.29431	2.8
67.05507	78.1
67.43950	2.6
69.03424	5.4
69.06727	3.7
69.07073	43.6
71.01328	3.3
71.04978	9.4
71.60518	3.0
78.78458	2.4
79.05494	73.5
80.09639	2.4
81.03392	10.3
81.07056	100.0
82.18944	2.7
83.04979	11.7
83.08612	15.5
85.06522	6.7
90.86594	2.6
91.05484	66.5
93.06478	4.3
93.07049	82.5
95.04967	20.2
95.08608	47.2
97.06528	16.2
97.10162	9.0
99.08061	3.1
103.05424	3.5
105.07034	54.9
107.04941	9.6
107.07895	3.4
107.08596	40.6
109.06507	11.3
109.10163	22.2
111.08072	7.1
115.05450	3.1
117.07020	21.3
117.25724	3.0
119.08577	38.7
121.06509	6.5
121.10157	26.7
123.08046	4.6
123.11710	5.6
129.06989	9.0
130.25609	2.9
131.08574	30.0
133.10143	32.2
135.08032	8.4
135.11691	26.8
137.09619	6.0
143.08565	8.8
145.10123	23.4
147.11685	15.1
149.09595	14.3
149.13258	22.1
151.11143	3.4
155.08502	5.5
157.10133	6.6
159.11696	22.7
161.09605	3.6
161.13229	7.9
163.11226	13.2
169.10097	5.2
171.11690	8.6
173.09731	3.0
173.13268	10.3
175.11230	3.0
177.12769	5.9
179.14328	3.8
183.11670	3.1
187.11130	2.8
187.14825	4.6
189.11215	3.4
189.16501	2.9
195.13823	12.9
197.13214	6.0
199.14728	3.5
227.12750	5.7
247.20573	4.7
253.14244	3.4
255.15860	20.1
257.18900	13.6
267.15863	6.5
269.17447	40.7
275.20047	42.0
293.21259	3.0
349.23697	31.5
367.24756	3.2
435.27542	5.7
449.29007	27.2
463.30530	30.5
529.35107	5.1
543.36725	22.6
561.37787	5.3
623.43085	3.7
694.47644	6.9
695.41083	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	694.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.0
55.01862	12.1
55.05310	4.3
55.05515	48.3
57.03428	11.7
62.64733	4.1
67.05502	93.1
69.07061	42.9
71.04990	6.6
71.60721	4.8
79.05493	75.4
81.03400	11.6
81.07055	100.0
83.04988	19.2
83.08625	21.7
91.05480	68.9
93.07046	71.0
95.04973	21.1
95.08604	47.7
97.06551	23.7
97.10161	22.2
105.07021	57.8
107.04967	14.1
107.08598	45.5
109.06517	10.5
109.10184	20.1
110.11850	4.3
111.08094	6.0
117.07010	29.6
119.08553	35.2
121.06516	5.4
121.10133	19.0
123.08030	7.9
123.11703	5.1
125.09621	24.0
128.06233	4.6
129.06989	14.2
131.08551	32.0
133.10155	33.1
135.08031	8.7
135.11713	24.1
143.08591	11.9
145.10117	26.1
147.11690	21.1
149.09634	20.0
149.13252	14.1
151.11148	4.7
155.08565	5.4
157.10139	12.9
159.11713	24.8
161.13252	7.8
163.11179	10.9
169.10124	8.7
171.10233	5.3
171.11717	8.2
173.13249	11.4
177.12729	7.8
179.14247	6.7
182.10767	3.8
183.11691	5.4
185.13318	7.5
187.14749	6.1
189.11220	12.3
195.11749	5.8
195.13837	6.8
197.13222	5.6
227.12750	23.6
229.14262	4.9
229.19254	4.3
239.17932	5.2
247.20583	5.3
255.15913	10.9
257.18954	14.3
269.17383	19.5
275.20081	56.2
327.26709	4.5
349.23752	40.5
449.28745	9.6
467.91388	4.8
529.35754	6.1
543.36700	21.6
590.10162	5.3
623.42676	5.3
633.68231	4.2
670.38757	4.4
694.46948	17.8
695.40894	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	694.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88115	3.0
52.97356	2.8
53.03945	7.4
55.01860	9.9
55.05511	34.4
57.03426	8.4
57.07069	2.9
63.78504	2.4
65.03930	6.5
67.05503	95.2
67.05869	4.7
69.03426	5.8
69.07066	41.7
71.04988	6.0
79.05054	5.6
79.05489	68.6
81.03411	10.6
81.07054	100.0
83.04987	12.8
83.08610	16.8
85.06512	5.1
91.05478	62.9
93.07044	70.7
94.82683	2.7
95.04981	19.3
95.08604	52.4
97.06536	19.0
97.10179	13.3
99.08060	3.6
105.07022	52.5
107.04949	10.6
107.08600	42.2
107.76237	3.1
109.06517	9.5
109.10164	18.5
111.08086	6.1
115.05482	2.8
117.07001	26.6
119.08585	38.3
119.91145	2.6
121.06493	7.5
121.10146	21.4
123.08080	6.7
123.11701	6.8
125.09635	7.9
128.06207	3.0
129.07008	11.2
131.08543	29.0
133.06479	3.4
133.10129	38.9
135.08023	8.5
135.11690	22.4
137.09642	5.4
139.07684	2.9
139.11209	3.3
143.08562	6.4
145.10115	20.5
147.11668	15.8
147.84953	2.9
149.09618	14.1
149.13243	14.4
151.11168	4.9
155.08556	3.7
157.10146	9.6
159.08170	2.9
159.11713	16.7
161.13234	4.7
163.11191	11.9
169.10054	5.8
171.10295	3.6
171.11763	7.5
173.13263	11.3
177.12775	6.4
179.14287	4.5
181.10349	3.2
181.12169	4.0
183.11650	5.2
187.14813	3.9
189.11226	7.0
195.13846	8.1
197.13203	3.5
199.14940	3.0
209.13127	2.8
227.12785	10.5
247.20609	3.4
255.15952	12.4
257.18961	13.4
269.17438	24.2
275.20068	47.2
331.22647	3.8
349.23743	25.0
367.24948	5.0
449.29114	16.0
451.32016	3.9
463.30792	15.5
483.99771	3.8
511.40948	3.2
525.35034	3.4
529.35236	4.8
543.36743	23.1
641.43372	3.4
694.46326	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	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01847	2.5
55.05503	11.1
57.03428	5.2
57.07074	4.6
61.02925	28.9
65.03943	3.2
67.05505	69.1
67.41037	2.3
69.03407	5.6
69.07063	12.8
69.70890	9.8
71.05003	2.6
73.02919	13.3
77.91843	1.8
79.05061	3.5
79.05492	44.4
81.03398	5.8
81.07056	84.9
83.08613	8.6
84.72683	1.9
85.02911	40.0
85.06525	2.3
91.03950	30.5
91.05475	28.6
93.07042	55.4
95.04949	5.0
95.08605	63.4
97.02891	20.6
97.06537	3.8
97.10175	4.3
105.07024	17.2
107.08595	35.2
109.10156	35.1
117.07013	8.5
119.08588	17.6
121.10145	39.9
123.11682	18.0
127.03909	11.2
131.08563	15.9
131.60854	2.2
133.10147	14.1
135.11707	28.1
137.13246	7.8
145.04974	13.9
145.10135	14.1
147.11707	12.5
149.13255	26.9
151.11221	2.5
151.14803	3.1
159.11699	14.6
161.13225	12.8
163.06026	24.4
163.14836	14.8
165.12808	3.1
173.13260	16.4
175.14825	4.0
177.16371	4.7
179.14311	2.9
182.55830	2.1
187.14830	9.1
215.17935	1.9
243.21097	40.9
261.22131	100.0
279.23093	4.7
298.22708	2.3
301.87198	2.0
335.25781	33.4
353.26865	55.0
411.50107	2.3
437.21689	2.4
437.71909	2.4
497.30865	6.1
603.21112	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93939	3.6
51.94440	5.3
53.03947	8.1
55.01861	8.2
55.05516	43.7
57.03438	37.2
67.05177	5.8
67.05508	85.6
69.07067	32.7
71.04986	12.8
71.60754	5.7
79.05494	82.7
81.03416	10.1
81.07060	97.4
83.04969	10.9
83.08624	26.6
85.06543	10.2
91.05483	100.0
91.11245	4.1
93.07048	83.3
95.04965	23.5
95.08603	50.2
97.06512	13.8
97.10172	18.6
99.08098	11.5
104.21997	4.1
105.07040	78.8
107.04969	11.5
107.08598	70.8
109.06507	13.6
109.10162	27.3
111.08096	13.7
113.05991	5.2
115.05462	8.2
117.07010	46.0
118.70160	3.9
119.08575	58.9
121.06499	6.5
121.10146	22.2
121.25218	4.2
123.08057	8.8
123.11774	5.4
125.09634	15.8
128.06226	9.7
129.07025	36.7
131.08568	57.4
133.06493	5.8
133.10150	32.7
135.08087	7.5
135.11725	20.0
141.06973	8.6
142.07829	5.4
143.08583	36.2
145.10112	39.8
147.08090	4.4
147.11684	27.8
149.09625	13.1
149.13226	9.2
153.07193	5.3
155.08597	17.7
157.10129	31.7
159.11694	41.1
161.09578	6.2
161.13274	17.2
163.11208	17.6
167.08540	9.0
169.10144	20.3
171.11705	15.9
173.13313	17.1
175.11205	7.0
177.12775	5.6
181.10103	9.5
183.11737	15.0
185.13246	28.2
187.14839	6.8
189.11235	9.3
189.12811	5.4
195.11716	11.6
197.13315	10.6
203.14325	17.7
207.11722	7.6
209.13257	7.6
211.14752	5.1
219.17397	6.7
221.13387	4.7
223.14928	4.8
227.12735	26.1
229.19524	6.0
233.13246	4.7
237.16394	9.1
239.17966	12.2
257.19055	19.4
273.18652	6.7
274.75253	3.8
275.20114	47.0
347.22513	4.2
349.23849	29.2
436.54974	4.2
459.32422	4.9
475.54153	5.4
480.17789	4.1
519.33405	7.0
529.34808	5.2
543.36688	8.9
551.37274	8.1
565.38464	5.9
623.43146	21.3
641.43054	6.2
695.40936	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.5
53.03946	1.4
55.01862	0.9
55.05270	0.7
55.05511	8.8
56.35291	0.4
57.03437	4.3
57.07076	2.8
59.05006	0.4
61.02608	0.6
61.02927	23.4
65.03954	2.3
67.05505	50.9
68.05845	0.5
69.03420	3.0
69.06725	0.7
69.07067	9.0
71.04990	2.4
71.08628	1.2
73.02920	7.7
73.90018	0.5
75.04491	0.8
77.03919	0.9
79.05494	31.9
81.03407	1.5
81.07056	56.6
83.04984	0.8
83.08614	5.7
85.02906	29.2
85.06538	2.6
86.25980	0.4
87.04465	0.8
91.03956	22.6
91.05479	14.6
91.55236	0.4
93.07045	43.0
95.04970	3.0
95.08606	46.1
96.08923	0.5
97.02892	13.4
97.03521	0.7
97.06552	2.7
97.10175	2.6
99.04448	1.6
99.08115	2.1
103.03962	0.5
105.04512	0.8
105.07033	12.1
107.04947	0.5
107.08595	29.3
107.93882	0.5
108.08918	0.6
109.02888	1.2
109.06509	1.2
109.10156	24.4
111.08119	1.1
111.11727	0.8
113.09660	1.1
115.03960	1.5
115.05438	0.6
117.07009	6.7
119.08575	13.1
121.10141	27.6
123.08134	0.7
123.11703	14.7
125.09627	0.9
127.02979	0.7
127.03923	9.2
130.16440	0.5
131.08566	16.0
133.10124	11.7
135.11696	22.0
137.09595	1.5
137.13251	6.1
139.11163	1.4
140.78510	0.5
141.12746	0.8
145.04964	12.7
145.10121	12.9
147.11673	9.1
149.13258	19.5
151.11159	2.2
151.14847	2.4
153.12752	1.5
156.13564	0.5
157.10143	0.6
159.11699	11.5
161.13251	10.0
163.06018	20.6
163.07394	1.0
163.11182	1.0
163.14822	14.7
165.12762	2.6
167.14340	0.7
170.46352	0.5
173.13266	13.3
175.14825	3.6
177.12761	1.7
177.16385	6.3
179.14270	2.7
187.14804	7.9
189.16403	0.9
191.14354	2.1
201.16362	2.7
201.18044	0.4
203.17958	0.5
205.15875	1.4
215.17972	1.6
217.19371	0.5
219.17416	1.0
229.14442	0.6
233.22652	3.3
243.21095	33.6
244.21347	1.3
245.22481	0.6
261.22141	100.0
262.22491	3.0
263.23785	1.6
279.20483	0.5
279.23209	2.9
283.19131	0.6
317.24622	0.7
335.25797	16.8
336.26120	0.6
353.26865	46.8
354.27310	2.3
378.69403	0.5
435.81296	0.6
577.97797	0.5
643.19977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94396	0.4
55.05504	5.2
56.56378	0.4
57.03432	1.0
61.33971	0.4
65.03934	10.6
65.19890	0.4
67.05500	16.9
68.99786	1.4
69.03072	0.9
69.03423	12.4
70.06590	4.8
70.85703	0.9
70.86081	0.7
71.01341	0.4
71.04986	0.4
81.03434	0.6
83.04973	56.4
84.05301	0.6
85.02898	19.5
87.00806	0.7
87.04453	1.9
91.05467	7.1
92.45985	0.4
93.03397	31.7
95.04957	7.6
97.02876	1.1
99.00802	8.3
101.06013	0.8
105.10139	0.4
107.04964	2.3
111.04429	100.0
113.02376	1.2
115.03902	2.3
115.83578	0.4
117.01832	2.5
119.04089	1.0
119.04929	16.1
121.02850	18.9
123.04397	0.9
127.03931	0.7
129.05467	54.3
139.03888	73.0
143.05615	3.4
147.04393	25.9
147.06433	1.8
157.04948	64.8
163.03889	0.9
165.05548	0.5
167.08502	0.6
175.06006	90.9
177.05457	2.3
193.07062	0.7
195.07965	0.8
207.06526	1.3
209.09717	0.5
212.08347	0.8
213.09094	6.7
219.08031	0.6
223.07465	0.5
227.05428	0.6
235.07213	0.5
237.09029	1.9
247.07521	0.9
265.08588	1.6
273.06021	34.5
293.08011	3.2
300.65173	0.4
311.09042	1.3
321.09729	1.1
429.10260	1.0
447.11276	15.4
467.13391	2.0
485.14304	2.8
676.26080	1.0
694.27380	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	692.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01873	3.5
55.05267	1.1
55.05510	15.7
57.03433	9.4
57.07058	2.2
59.04997	2.0
61.02924	3.4
65.03918	2.0
67.05505	70.9
68.05824	0.8
69.03407	1.8
69.07070	16.1
69.86256	3.5
71.04994	16.8
73.02898	2.2
76.10120	0.6
79.05492	26.8
81.03413	5.2
81.07057	88.7
82.07393	0.7
83.04989	5.2
83.08624	15.5
85.02919	6.0
85.06541	6.8
87.04465	1.4
91.03968	1.7
91.05482	21.3
93.07043	41.5
95.04978	5.7
95.08602	16.0
97.02890	2.9
97.06522	10.5
97.10171	5.5
98.21410	1.0
99.08085	3.2
105.07030	8.6
107.04922	1.4
107.07868	1.5
107.08594	25.8
109.06516	2.5
109.10159	20.7
111.08098	7.2
111.11700	1.0
113.05984	0.8
117.07008	6.9
119.08578	4.0
121.06523	1.8
121.10146	14.9
123.08083	1.5
123.11699	10.1
125.09623	5.1
129.05481	1.7
131.08566	6.0
133.10121	15.3
135.08037	2.3
135.11697	7.0
137.09668	0.8
139.11186	1.4
143.10725	0.7
145.10124	2.0
147.11691	1.9
149.09621	1.6
149.13254	23.7
151.11179	5.4
153.12798	1.3
155.10637	1.0
157.10147	0.9
159.11685	10.1
163.11183	2.3
166.34460	0.8
169.12282	0.7
169.75002	0.6
173.11755	5.4
177.12770	5.0
181.12198	0.8
183.13846	1.6
187.13304	2.6
191.10706	1.0
193.12302	1.6
195.13802	9.7
197.26393	0.7
199.13275	3.3
209.11708	2.2
211.13303	1.1
212.00000	0.7
213.14885	2.0
225.14932	1.2
227.12833	2.0
229.14352	19.9
239.16365	1.0
251.16490	1.4
257.17459	0.9
267.15872	2.9
269.17468	37.5
270.17978	0.8
283.15469	1.6
301.16473	5.9
301.20132	7.8
411.27432	2.4
423.27490	14.3
431.27826	0.8
437.28995	45.0
438.29327	1.3
445.29773	0.9
451.30661	8.5
463.30539	100.0
464.30917	2.7
495.33832	30.4
513.30603	5.0
639.37341	1.0
639.66193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01871	7.4
55.05511	32.1
57.03153	1.5
57.03430	19.5
57.07078	2.7
59.04985	4.0
61.02934	8.4
63.02958	1.0
65.03948	3.6
67.05504	100.0
69.03422	4.9
69.07066	20.3
71.04998	11.3
73.02914	5.4
79.05489	40.3
81.03420	13.8
81.07054	87.7
83.04983	10.1
83.08623	23.5
85.02897	14.4
85.06549	6.3
87.04462	3.9
91.03960	2.8
91.05481	34.0
93.07043	47.8
93.66570	1.0
95.04960	8.1
95.08598	20.7
97.02893	5.1
97.06530	11.5
97.10175	12.5
99.08088	2.3
103.03956	1.6
105.07032	13.1
107.04935	4.6
107.08593	31.7
108.39401	1.3
109.06519	4.8
109.10153	44.5
111.04424	1.7
111.08083	7.2
114.14740	1.0
115.05468	1.2
117.07012	9.7
119.08577	8.1
121.06525	2.7
121.10128	13.6
123.08041	1.6
123.11706	4.8
125.06019	1.4
125.09622	13.2
127.03909	1.4
129.05476	3.8
129.07018	2.1
131.08583	12.0
133.10126	17.5
135.08058	1.4
135.11710	11.2
137.09619	2.3
143.10672	1.3
145.10153	3.6
147.11671	4.4
149.09634	1.7
149.13242	16.8
151.11206	2.5
153.12752	3.6
155.08514	1.6
155.10635	2.0
157.10136	2.3
159.11655	8.7
163.11192	8.3
165.12735	2.0
173.11728	14.5
177.12785	5.5
181.12209	2.4
189.11298	1.2
191.10666	1.8
193.12219	4.2
195.13797	18.1
199.13312	7.0
209.11732	5.7
211.13211	2.8
213.14923	2.4
225.30705	1.1
227.12766	7.8
229.12074	2.5
229.14346	49.2
229.28064	1.5
239.16457	2.4
257.13974	1.5
267.15994	7.3
269.17468	63.9
283.15424	4.4
297.16818	1.9
301.16428	15.4
301.20129	3.6
308.24799	1.1
393.26590	1.7
411.27328	4.9
412.65387	1.2
423.27435	37.3
431.27429	1.4
437.29001	11.3
449.28860	1.2
451.30801	1.9
459.27588	1.1
463.30521	26.9
477.28448	2.5
495.28796	37.3
513.30426	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	692.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.05269	1.6
55.05510	20.7
56.49361	0.7
57.03439	17.4
57.07065	0.8
59.04999	0.8
61.02921	4.6
65.03929	2.3
67.05505	29.0
69.03429	5.6
69.06721	1.0
69.07069	9.5
71.05003	7.9
73.02919	1.2
75.17604	0.6
77.03952	0.7
79.05492	31.7
81.03417	86.9
81.07054	37.3
83.04982	22.5
83.08617	31.2
85.02901	36.2
85.06535	3.0
87.04470	0.9
91.03936	1.3
91.05482	44.1
93.07044	22.6
95.04969	34.3
95.08606	10.8
97.02892	6.8
97.06553	4.9
97.10175	6.2
99.04450	1.7
99.08079	1.2
105.07031	30.3
107.04951	9.8
107.08597	10.0
109.06503	6.1
109.10149	4.4
111.04422	3.0
111.08074	13.8
113.05998	3.2
115.05444	2.9
117.07001	1.7
119.04910	1.7
119.08581	24.5
121.06499	3.5
121.10149	12.5
123.08045	4.4
123.11713	2.6
125.09621	2.9
127.03912	0.9
129.07005	15.2
131.08566	14.7
133.06526	4.8
133.10121	16.0
135.08055	2.2
135.11705	0.9
137.09612	2.5
142.07777	3.8
143.05608	1.1
145.06459	1.0
145.10118	2.9
147.04378	0.9
147.08058	4.9
147.11679	20.1
149.09621	9.5
151.07558	0.9
151.11168	0.7
157.10127	20.3
159.11533	0.9
161.09621	0.8
163.11218	1.8
165.12756	3.6
167.07028	1.2
173.09590	0.8
175.03830	0.8
175.09761	1.3
175.11194	20.3
177.05511	2.0
193.12241	62.7
207.06448	1.4
211.13289	100.0
249.14926	1.8
267.15915	39.4
269.17630	0.9
285.16962	87.2
349.21698	1.0
367.22678	3.2
383.11295	1.3
385.23724	5.2
433.25732	1.2
459.27435	23.1
477.28494	26.8
495.29562	74.9
496.29868	1.1
692.38403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
53.68793	1.6
55.01860	5.1
55.05513	31.1
57.03426	22.2
59.04992	4.7
61.02921	7.6
64.89883	1.5
65.03922	2.9
67.05502	100.0
69.03427	3.7
69.07074	15.7
69.97836	9.1
71.01356	2.5
71.04984	6.5
73.02906	6.1
73.05982	1.6
74.96256	1.5
79.05492	36.6
81.03410	12.5
81.07055	76.2
83.04989	9.4
83.08627	18.9
85.02902	18.0
85.06544	5.0
87.04459	5.3
91.03972	3.1
91.05482	28.0
93.07043	41.0
95.04981	10.0
95.08604	21.3
97.02885	9.1
97.06533	9.1
97.10167	14.6
105.07030	9.4
107.04990	3.3
107.08586	29.3
109.06551	2.3
109.10155	46.7
111.08071	8.1
117.07006	9.9
119.08601	11.1
121.06521	2.3
121.10130	13.9
123.08110	1.9
123.11707	3.4
125.09634	12.0
129.05489	6.1
129.06949	2.0
131.08577	6.5
133.10133	13.0
135.08072	3.4
135.11671	11.7
137.09596	2.4
142.07829	1.6
143.10690	3.1
144.62836	1.8
145.10124	6.0
147.11679	4.9
149.09526	2.3
149.13260	15.7
151.11336	1.8
153.12746	3.3
155.10660	4.0
159.11678	10.0
163.11179	9.9
165.12729	2.2
173.09636	2.4
173.10316	1.9
173.11746	17.1
176.98788	1.7
177.12756	5.4
181.12297	1.5
191.10663	4.6
193.12245	2.6
195.13826	20.5
199.13309	6.5
209.11703	8.1
227.12759	9.0
229.14351	59.8
239.16345	3.4
257.13852	5.7
260.40720	1.6
267.15842	8.9
269.17477	78.3
283.15338	8.2
291.90036	1.7
297.16882	1.9
298.93506	1.6
301.16486	18.1
393.26285	2.7
411.27390	8.6
423.27399	44.7
477.27859	2.1
495.22214	3.6
495.29510	68.9
513.30585	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01860	6.0
55.05270	1.9
55.05511	34.9
57.03152	1.6
57.03429	21.2
57.07061	2.3
59.04983	4.9
61.02920	11.8
62.96951	1.5
65.03942	2.4
67.05502	100.0
69.03407	4.9
69.07069	18.1
69.49738	11.6
71.01350	2.1
71.04982	6.9
73.02914	5.0
79.05490	40.0
79.83192	1.4
81.03414	14.5
81.07056	73.5
83.04980	11.7
83.08616	21.6
83.43944	1.4
85.02905	20.4
85.06525	5.8
86.41407	1.3
87.04443	5.6
91.03955	3.5
91.05482	26.5
92.76561	1.4
93.06464	3.1
93.07037	41.9
95.04967	10.5
95.08606	23.4
97.02905	8.0
97.06520	11.9
97.10159	15.9
97.13866	1.5
99.04419	1.9
99.08115	1.5
103.03945	1.7
105.07027	10.8
107.04961	3.1
107.08591	29.1
109.06476	2.3
109.10155	55.4
111.04444	2.2
111.08070	5.8
115.03909	1.6
117.07045	8.6
118.70867	1.4
119.08581	9.6
121.06550	2.1
121.10151	9.7
123.08099	2.4
123.11684	5.0
125.09613	18.0
129.05461	5.9
129.06976	1.5
131.08565	12.0
133.10147	14.1
135.08038	3.1
135.11676	11.0
137.09618	3.4
143.10678	2.7
144.28104	1.5
145.10138	4.3
147.11681	4.1
149.09589	2.5
149.13266	14.8
153.12738	3.3
155.10622	2.6
159.11710	8.5
161.44318	1.5
163.11209	9.5
173.11736	18.0
175.11174	3.4
177.12732	4.5
181.12242	2.9
191.10683	3.6
193.12267	4.7
194.73218	1.4
195.13823	13.4
199.13269	7.6
209.11649	6.6
211.13290	3.8
213.14722	2.2
227.12733	8.0
229.12068	2.8
229.14349	55.5
233.15260	1.6
239.16432	3.5
241.17888	1.3
265.03290	1.7
267.15750	10.2
269.17453	60.3
283.15421	4.9
301.13324	2.4
301.16434	16.6
339.23383	2.0
393.26349	2.2
411.27277	5.6
423.27393	29.9
431.27686	2.0
495.29526	56.6
513.30615	26.8
700.59119	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.2
55.01864	7.1
55.05516	26.9
57.03437	9.6
57.07055	2.6
62.37293	1.8
65.03938	3.1
67.05505	84.4
69.03430	26.1
69.06775	1.9
69.07075	20.7
71.04984	9.2
71.60291	3.0
73.02876	2.3
77.03948	2.4
78.19701	1.9
79.05494	64.2
81.03419	62.1
81.07058	100.0
82.03790	2.0
83.04982	25.1
83.08635	11.8
85.02909	10.9
85.06543	5.5
91.05482	46.5
91.06000	1.7
93.06476	4.3
93.07045	72.3
95.04973	17.4
95.08608	39.2
97.02906	23.7
97.06537	10.3
97.10162	3.6
99.04475	12.5
99.08125	2.6
105.07034	31.3
107.04976	6.1
107.08598	30.0
109.02854	10.5
109.06514	6.9
109.10165	15.5
111.04453	10.2
111.08073	5.2
115.05464	2.4
117.07004	15.4
119.08590	18.2
121.06487	4.9
121.10139	22.6
123.08067	2.5
123.11671	8.3
123.12458	2.1
125.09611	3.0
127.03934	14.0
129.05490	11.6
129.07027	5.6
131.08569	19.5
133.10150	22.2
135.08064	4.4
135.11697	19.6
137.09622	3.2
137.13240	2.2
137.59503	2.1
139.07594	1.9
143.08592	4.9
145.10114	13.3
147.11661	16.1
149.13269	16.5
151.11237	3.3
157.10126	4.6
159.11688	20.2
161.13272	2.8
163.11200	3.8
163.14819	2.3
165.06961	1.8
165.12816	3.2
171.11667	2.4
173.04462	32.0
173.11850	2.2
173.13268	6.7
175.11203	4.2
177.12813	12.4
185.13274	4.2
187.13292	4.7
187.14818	2.3
193.12407	2.7
195.13826	12.8
199.11121	2.7
213.14758	3.8
243.15929	4.4
261.22070	6.6
267.16037	2.4
269.17386	10.5
275.20038	4.0
301.21417	2.5
306.62567	2.2
335.25812	19.1
337.26917	2.1
339.18063	7.2
349.23438	2.2
369.24203	3.4
387.25314	2.7
389.63672	2.2
395.20493	2.4
405.26691	2.6
413.21729	10.9
419.38672	2.2
431.52518	2.1
503.37329	25.9
522.09607	2.1
529.39069	12.8
547.39777	2.8
566.95850	2.2
630.29193	2.2
655.40948	3.2
657.49890	2.1
673.42572	6.2
691.44257	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	691.441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.4
51.02367	1.6
53.00301	1.5
53.03947	10.7
55.01894	5.5
55.02100	1.2
55.05262	1.8
55.05510	23.7
57.03439	11.5
57.07069	3.7
59.04980	1.7
65.03920	4.8
67.05507	84.5
68.05823	1.1
68.56525	1.1
68.83958	1.0
69.03078	1.8
69.03430	25.1
69.07070	22.6
71.01358	1.6
71.04993	12.2
73.02902	3.0
73.73540	1.0
77.03882	1.4
79.05495	57.5
81.03418	58.1
81.07059	100.0
82.07381	1.6
83.04988	20.2
83.08617	12.1
85.02898	10.9
85.06554	6.8
87.04482	2.1
91.05480	44.6
93.07043	64.6
95.04978	14.9
95.08612	45.7
97.02894	19.8
97.06533	8.6
97.10166	4.9
99.04459	9.4
99.08128	2.2
101.02361	1.4
103.03927	1.9
103.05424	1.4
105.04498	2.0
105.07032	31.8
107.04948	4.3
107.08596	32.6
109.02879	11.7
109.06539	5.9
109.10163	15.3
111.04473	10.0
111.08076	5.0
113.05981	1.5
115.05475	2.3
116.06219	1.5
117.07026	14.3
119.08579	19.5
119.09383	2.2
121.06476	3.6
121.10144	25.1
123.08052	3.1
123.11681	10.4
124.87127	1.1
125.09587	2.5
127.03919	10.6
129.05496	12.7
129.06995	7.2
131.04950	1.4
131.08580	19.7
133.06400	2.1
133.10130	18.8
135.08041	2.5
135.11697	18.3
137.09578	1.7
137.13239	1.7
139.11150	2.9
141.06950	2.6
142.07782	1.7
143.08548	4.9
145.06526	1.4
145.10118	11.2
147.08023	2.1
147.11693	11.0
149.05940	1.6
149.09576	2.8
149.13280	15.5
151.11185	1.8
155.08476	2.6
157.10124	6.0
159.08080	2.2
159.11714	19.4
161.09575	2.3
161.13271	5.7
163.07565	1.4
163.11185	1.9
163.14796	1.9
165.12726	3.7
169.10162	2.8
171.06456	1.5
171.11717	4.8
173.04471	20.7
173.09560	1.5
173.13232	6.3
175.11205	3.4
175.14880	1.9
177.12737	10.1
179.14304	2.1
181.10176	1.6
183.11699	2.6
183.13930	1.2
185.13263	3.4
186.13701	1.3
187.11452	1.3
187.13297	3.4
187.14859	2.9
189.12778	1.9
193.12279	2.7
195.13855	12.5
197.13292	2.6
199.14752	2.2
201.12715	1.7
213.12852	2.5
213.14870	3.5
215.10675	1.3
229.14232	2.1
239.14386	1.4
241.14093	1.6
243.15915	3.6
243.21112	2.3
251.16324	1.3
259.20444	2.4
261.22220	5.5
267.15921	3.6
269.17453	12.2
277.21738	1.8
285.21774	1.3
301.21481	1.9
315.23203	1.5
317.24747	1.9
321.16946	1.9
327.23184	1.7
335.25833	19.7
337.27344	3.2
339.18167	6.7
341.24667	1.7
351.23248	3.7
362.82043	1.4
369.24258	5.9
387.25287	2.0
389.26361	1.4
395.20541	2.0
405.26501	1.6
411.19888	1.3
413.22046	6.9
413.26227	1.3
437.26392	1.3
443.28113	2.6
461.28793	2.3
479.30185	1.3
503.37329	20.3
519.28992	2.2
529.39148	16.7
547.39880	2.4
615.92773	1.3
637.40778	3.6
655.41315	4.4
673.43347	8.4
691.43658	25.8
692.42358	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
53.31283	1.5
55.01860	7.4
55.05515	33.1
57.03434	14.0
57.07066	3.7
58.04489	1.6
61.99994	1.6
62.45751	1.7
65.03932	6.4
67.05508	100.0
69.03433	29.6
69.07070	30.0
71.01354	2.0
71.04993	21.6
77.03900	2.2
79.05494	56.6
81.03424	55.1
81.07062	96.9
83.04988	27.2
83.08622	13.6
85.02903	8.3
85.06548	7.0
87.04434	2.1
91.05485	52.0
93.07051	75.4
93.07639	4.0
95.04984	16.3
95.08609	58.6
97.02897	15.9
97.06555	13.2
97.10179	2.8
99.04460	5.8
99.05695	1.6
99.08087	3.2
103.05473	2.6
105.07032	41.4
107.04945	5.5
107.08597	40.3
109.02876	8.9
109.06544	11.0
109.10170	33.7
111.04478	8.5
111.08096	6.0
117.07011	19.8
119.08575	34.3
119.09360	2.6
121.06504	5.8
121.10153	28.2
123.04424	2.4
123.08073	4.9
123.11714	9.8
125.09599	5.2
127.03911	7.9
128.06183	2.0
129.05493	16.2
129.07001	11.9
131.08600	24.7
133.06490	4.7
133.10126	17.3
135.08054	4.3
135.11693	21.9
137.09631	8.1
141.06981	4.6
143.08536	9.0
145.06476	3.4
145.10115	17.6
147.08049	5.2
147.11699	20.1
149.09592	3.3
149.13263	15.0
151.11154	2.5
155.08575	4.0
157.10150	7.8
159.08058	3.5
159.11716	18.8
161.09636	2.1
161.13254	7.1
163.11157	5.1
163.14909	2.9
165.12735	6.5
169.10126	5.2
171.07976	2.2
171.11678	7.9
173.04408	3.6
173.11771	4.9
173.13269	6.8
175.11221	3.2
175.14908	2.7
177.12801	4.3
179.10623	2.1
181.10167	3.0
183.11722	5.7
185.13300	4.3
187.07538	1.8
187.11137	2.2
187.13295	2.1
187.14801	2.6
189.12695	2.5
195.11803	3.2
195.13797	9.0
197.13264	4.4
199.14838	3.4
201.12894	1.9
219.13774	2.5
229.14235	2.3
229.92186	1.8
243.15953	2.1
253.72302	2.2
259.20508	2.8
261.22159	9.8
267.15918	8.5
269.17456	17.2
271.20624	2.0
273.18365	2.0
275.20221	3.2
277.21893	2.0
291.19724	4.5
292.19873	4.1
301.21686	5.0
303.15851	2.3
315.23346	2.9
327.23172	2.7
335.25806	18.0
337.27457	7.1
339.18164	2.9
351.23090	5.1
369.24191	8.2
387.25296	3.6
389.27670	1.9
413.21732	6.1
443.27884	3.5
461.28650	3.1
474.00146	1.8
479.29895	3.7
508.97879	2.0
529.38916	30.0
544.65833	2.4
547.39972	5.4
608.63947	2.1
637.40839	4.5
645.76202	2.1
655.41748	3.3
659.41333	3.3
673.43384	10.3
691.42059	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
55.01867	5.4
55.05262	2.5
55.05510	27.7
57.03438	14.4
57.07077	3.2
65.03947	7.7
67.05505	84.4
69.03428	22.5
69.07071	27.4
71.04992	5.9
71.60936	3.0
73.02913	3.0
79.05495	56.3
81.03419	56.4
81.07055	100.0
83.04979	32.7
83.08616	13.7
85.02903	8.3
85.06551	4.3
86.82519	1.9
89.37997	1.5
91.05481	44.9
93.07046	64.6
95.04980	12.3
95.08607	54.5
97.02884	17.0
97.06535	9.8
97.10191	4.5
99.04474	5.5
99.08088	2.4
101.88902	1.5
103.03971	1.8
105.04520	2.5
105.07032	37.6
107.04956	5.6
107.08596	34.4
109.02889	9.8
109.06531	6.8
109.10160	21.7
111.04491	7.8
111.08070	5.8
117.07018	16.2
119.08578	28.5
121.06524	5.5
121.10151	24.6
123.08089	5.3
123.11687	9.8
125.09651	1.8
127.03892	9.3
129.05482	13.6
129.06984	8.9
130.07776	2.3
131.08577	23.2
133.06483	3.8
133.10127	20.0
135.08064	5.2
135.11691	17.1
139.11209	2.1
141.07004	3.6
143.08539	8.7
145.10109	15.2
147.08072	3.2
147.11679	21.4
149.09648	4.7
149.13275	18.9
151.11266	2.1
155.08569	5.0
157.10112	8.7
159.08055	2.2
159.11716	14.1
161.09645	2.3
161.13275	5.8
163.11192	2.0
163.14839	2.9
164.33798	1.6
165.12790	6.4
167.08539	2.8
168.13930	1.9
169.10141	2.9
171.11703	6.6
173.09715	4.0
173.11865	2.1
173.13322	6.9
175.11177	3.2
175.14865	1.7
177.12781	6.1
181.10168	3.0
183.11710	2.1
185.13225	4.0
187.11150	2.5
187.14851	4.8
189.12720	1.9
193.12093	2.2
195.12057	2.8
195.13722	9.5
197.13286	3.0
201.12817	2.2
201.16432	1.6
207.11588	1.9
209.13329	2.7
213.14813	2.3
242.90366	1.7
243.21101	2.2
259.20596	4.2
261.14816	1.7
261.22147	8.2
267.15915	11.0
269.17432	23.3
279.23328	2.0
289.18076	1.7
289.21509	1.7
301.21567	3.8
303.15894	2.1
313.21237	2.8
317.24863	2.7
327.23242	2.2
335.25803	24.8
337.27347	7.1
339.18307	3.1
341.24716	2.3
345.24304	2.4
351.22946	2.1
369.24393	6.3
375.25452	2.0
387.25098	3.6
405.26135	3.0
413.21619	6.0
443.28387	2.2
455.35312	1.8
461.29019	3.9
479.30194	3.8
529.38959	34.0
545.38544	1.8
547.39624	3.6
637.40784	3.4
655.41711	4.7
673.43243	9.2
691.44080	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	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01878	0.4
55.05515	2.7
57.03443	2.2
61.02931	4.7
67.05509	11.6
68.02218	0.4
69.03432	3.9
69.07071	2.0
69.92533	0.7
69.92934	1.9
71.01366	0.6
71.04988	0.6
73.02914	3.9
79.05491	4.1
81.03418	3.0
81.07062	5.9
81.51492	0.4
83.04993	0.9
83.08621	1.2
84.39698	0.4
85.02904	5.0
87.04466	0.4
91.03952	3.2
91.05486	3.7
93.07046	4.3
95.04945	0.8
95.08615	4.3
97.02896	4.3
99.04452	0.8
101.02369	1.8
105.07029	2.0
107.08566	1.9
109.02844	0.6
109.10161	8.5
115.03974	0.4
117.07059	0.5
119.08590	1.7
120.20696	0.4
121.10146	1.0
123.11665	0.5
127.03927	1.7
129.06944	0.4
131.08548	0.6
133.10120	0.9
135.11755	0.5
145.10107	0.7
147.11671	0.9
155.10699	0.6
159.11693	0.5
171.67830	0.4
173.11768	2.3
173.13217	0.7
185.04298	0.8
195.09860	0.6
195.29762	0.4
203.05341	0.6
204.30901	0.4
229.14375	1.2
232.49484	0.4
243.08397	2.0
245.07700	0.4
251.07321	0.4
269.17523	0.5
290.64639	0.4
335.25937	1.2
392.49188	0.4
413.17859	10.2
519.29272	5.0
554.47681	0.4
590.56891	0.5
673.43243	0.6
691.40277	100.0
692.40692	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	691.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01877	0.3
55.05505	1.1
57.03431	2.0
61.02929	5.4
67.05507	7.3
67.41174	0.3
69.00286	0.3
69.03425	3.4
69.07064	0.7
69.67278	1.9
69.78307	0.2
71.04997	0.7
73.02916	3.5
78.61854	0.2
79.05486	2.8
81.03410	1.7
81.07066	4.1
82.92656	0.3
83.04971	0.3
83.08633	0.7
85.02905	5.3
87.04475	0.4
91.03968	3.5
91.05459	2.0
93.07047	3.4
95.04972	0.3
95.08607	3.2
95.22926	0.3
97.02902	4.4
97.06520	0.3
97.10168	0.3
99.04468	0.7
101.02386	1.3
105.07078	1.3
107.08581	1.4
109.02888	0.7
109.10159	4.5
111.82566	0.3
115.03946	0.4
117.07019	0.6
119.08594	1.1
121.10146	1.5
123.11681	0.3
127.03913	1.9
131.08585	0.9
133.10143	0.5
135.11711	0.9
145.04909	0.4
145.10162	0.7
147.11671	0.4
155.10703	0.3
159.11775	0.3
173.11784	1.2
185.04173	0.3
195.09973	0.6
203.05212	0.3
229.14362	0.6
232.00433	0.3
243.08430	1.7
246.42133	0.3
275.51212	0.3
335.25870	0.6
375.61295	0.3
413.17856	4.6
519.29242	8.8
529.36426	0.4
610.24738	0.3
640.54333	0.3
691.40277	100.0
692.40491	2.6
722.89667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01875	5.1
55.05264	1.2
55.05511	16.5
57.03440	11.2
57.07058	1.3
59.04989	1.3
61.02925	2.0
61.43075	0.9
65.03951	1.2
66.63348	1.0
67.05503	26.6
69.03434	6.3
69.07071	9.5
71.04989	5.4
71.60892	1.3
73.02912	2.9
73.67300	0.9
79.05491	29.8
81.03417	40.1
81.07058	32.3
83.04985	9.9
83.08620	18.7
85.02905	20.5
85.06537	1.9
91.03948	1.2
91.05479	27.0
93.07042	36.2
95.04974	21.5
95.08603	33.0
97.02878	8.1
97.06525	5.7
97.10155	3.5
99.04435	4.6
99.08072	2.0
103.05476	1.0
105.07027	22.9
107.04942	12.1
107.07872	1.7
107.08591	27.8
109.02896	2.3
109.06508	5.6
109.10135	7.5
111.04433	3.7
111.08081	7.6
113.06026	2.0
115.05460	1.0
117.07017	8.0
119.04930	1.9
119.08580	18.4
121.06512	7.4
121.10149	15.8
123.04346	1.2
123.08067	2.7
123.11697	2.3
125.05988	3.2
125.09611	1.8
127.03870	3.0
128.06219	1.1
129.05518	1.2
129.07021	7.9
130.07799	1.2
131.08589	8.5
133.06494	2.3
133.10124	9.8
134.78262	0.8
135.08064	2.2
135.11691	40.2
137.05940	1.8
137.09637	2.2
139.07561	2.3
142.07788	1.5
143.05605	2.6
143.08524	2.0
145.02837	1.5
145.06499	1.4
145.10117	25.1
147.04384	1.7
147.08020	2.2
147.11694	10.5
149.09593	4.4
149.13260	1.1
151.03894	1.1
151.07486	1.0
151.11214	1.1
153.12709	1.2
157.10135	9.2
161.06001	1.5
161.09650	1.4
163.11177	56.0
165.12753	2.3
167.07057	4.5
168.07332	1.0
172.03452	1.2
173.09682	1.1
175.03853	2.1
175.11198	7.1
177.05438	4.3
181.12224	7.9
193.08589	1.3
193.12221	26.3
207.06541	3.9
208.06885	1.7
209.11699	2.2
211.13278	33.6
212.13518	1.0
227.12772	66.5
228.13147	1.3
242.92503	0.9
267.15915	31.7
283.15402	59.7
284.15829	1.8
285.16962	49.3
287.05420	3.9
288.05841	2.9
301.06915	1.1
348.80200	1.1
353.20331	1.0
475.26950	31.7
493.27942	100.0
494.28104	3.2
690.30945	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	691.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01875	20.5
55.05513	27.6
56.86310	1.6
56.96561	2.1
57.03440	15.3
57.07052	2.1
59.05006	3.0
61.02933	40.5
65.03925	3.6
67.05507	43.1
69.03434	24.2
69.06734	2.4
69.07076	23.3
70.06593	2.5
71.01385	1.9
71.04997	7.5
71.59803	2.4
71.60184	2.9
73.02927	13.8
73.03288	2.5
75.04481	1.8
76.80152	1.7
79.05498	49.4
81.03420	26.3
81.07064	40.4
82.05797	1.9
83.04993	11.3
83.08618	18.0
85.02911	46.3
85.06541	4.3
87.04448	1.8
91.03956	26.1
91.05488	39.0
92.05825	2.3
93.07053	46.0
95.04977	16.2
95.08609	30.2
97.02892	38.4
97.06538	32.5
97.10178	23.5
99.04470	6.1
99.08109	3.3
101.02400	3.4
103.05458	2.0
105.07041	39.2
107.04963	14.7
107.08598	53.1
109.02887	13.2
109.06545	8.2
109.10164	20.1
111.04481	2.7
111.08092	4.3
115.03971	2.4
117.03369	2.1
117.07036	13.7
119.04947	5.4
119.08585	24.9
120.08151	1.9
121.06509	8.8
121.10155	18.7
121.62718	1.9
123.04423	2.1
123.08075	6.0
123.11728	5.0
125.09641	24.3
127.03922	20.5
127.30912	1.6
129.05460	2.5
129.07011	7.3
131.08580	19.8
133.06506	2.8
133.10152	22.4
135.08067	10.3
135.11705	7.6
136.07553	2.3
137.05998	5.7
137.09641	4.2
141.06999	3.4
143.05650	8.9
143.08554	4.2
145.02893	4.5
145.04985	10.3
145.06445	2.7
145.10135	20.2
147.04483	2.1
147.08029	4.1
147.11670	17.6
149.09618	23.4
149.13260	4.0
151.11182	4.8
153.09091	2.5
155.08493	1.9
155.10735	2.2
157.10170	7.4
159.11717	11.0
161.09642	4.2
161.13292	6.5
163.03857	2.0
163.06068	4.2
163.07397	1.9
163.11194	9.0
164.45232	2.0
165.05511	2.1
165.09148	3.8
167.07021	4.3
169.10127	3.8
171.10168	7.6
171.11716	5.7
173.11880	3.2
173.13321	7.6
175.03940	4.7
175.07442	2.2
175.11247	3.4
175.14801	2.3
177.05487	9.4
177.12767	5.9
179.14287	2.2
183.06548	2.4
183.11700	2.5
187.11147	4.5
187.13391	2.1
189.11218	26.3
189.12721	2.5
193.12257	5.1
197.13371	2.4
199.02560	2.1
199.09668	2.8
200.03137	3.2
205.12326	2.1
207.06570	5.4
211.13297	3.8
227.12782	28.0
229.14323	9.4
233.15486	2.4
237.02800	1.9
239.17941	2.7
245.13905	14.5
253.18034	6.1
255.16139	2.2
255.98801	1.8
257.04468	5.1
257.18964	14.6
267.16052	4.1
269.17484	13.0
271.05829	2.2
275.20087	50.6
285.16998	3.5
286.04672	4.3
287.05518	6.9
288.05591	2.4
293.21140	3.7
299.20218	3.2
331.22910	2.9
345.06210	2.7
346.06750	7.0
347.07562	4.9
349.23767	100.0
367.24850	32.3
373.19244	2.2
374.15384	2.3
383.11325	16.1
384.11868	2.2
391.24600	9.7
413.21890	2.4
433.25409	3.1
443.13437	3.1
457.25864	2.4
459.27426	3.5
462.57730	1.9
475.26575	4.0
477.28372	2.5
493.27914	5.8
511.28876	9.0
529.30017	2.4
647.21405	2.9
691.19427	3.9
691.40814	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	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.9
53.10627	1.5
55.01880	8.9
55.05509	30.7
55.35550	1.6
57.03436	14.7
57.07075	3.8
61.02939	2.0
65.03938	6.3
67.05503	79.5
68.05827	1.6
69.03433	32.7
69.07068	22.3
71.01331	2.5
71.04992	12.4
71.05915	4.9
73.02929	2.9
75.26675	1.7
77.03933	2.2
79.05495	75.0
80.62441	1.8
81.03418	100.0
81.07057	86.0
81.47915	1.6
82.07410	1.8
83.04983	22.6
83.08617	19.6
85.02899	16.3
85.06544	5.3
87.04456	1.9
91.03962	2.7
91.04894	2.2
91.05481	65.6
93.07043	69.0
94.07384	2.2
95.04962	34.9
95.08606	45.4
97.02890	25.3
97.03500	1.9
97.06529	9.9
97.10166	6.6
99.04463	6.1
99.08098	3.1
104.85281	1.7
105.04572	1.8
105.07032	49.9
107.04952	11.8
107.08596	38.7
109.02885	17.4
109.06512	9.7
109.10145	18.0
109.10706	1.5
111.04458	12.7
111.08093	9.9
113.06010	2.5
115.05484	3.8
116.06226	2.0
117.07019	21.4
119.04977	1.7
119.08580	39.1
121.06516	4.9
121.10138	26.5
123.04475	3.4
123.08087	6.3
123.11726	8.5
125.09621	4.0
126.94525	1.6
127.03912	11.1
128.06259	3.0
129.05490	5.4
129.07031	16.5
131.04939	1.8
131.08559	30.4
131.09485	1.7
133.06505	5.8
133.10114	22.7
135.08070	3.9
135.11647	14.5
137.06015	1.7
137.09669	2.6
138.94528	1.6
139.11162	2.1
141.06999	4.9
142.07825	4.0
143.08565	12.5
145.06512	5.0
145.10115	24.2
147.08058	5.4
147.11681	24.6
149.09625	5.6
149.13269	6.4
151.11201	3.7
155.08531	9.3
157.10144	20.5
159.08044	2.4
159.11662	14.8
161.06081	2.5
161.09599	2.0
161.13313	6.4
163.07654	2.2
163.11198	6.0
165.07043	1.9
165.12827	7.0
167.08600	4.4
169.10138	8.0
170.23460	1.8
171.08180	3.0
171.11690	11.7
173.04448	8.1
173.09662	2.0
173.13266	11.2
175.11201	11.7
175.14803	4.0
179.08662	1.7
181.10147	4.1
181.12326	1.7
183.06691	2.0
183.11696	7.6
185.09669	2.2
185.13281	6.3
187.14883	4.3
189.12830	2.7
191.10750	3.3
193.10350	3.0
193.12224	29.0
195.11728	5.6
195.13850	2.2
197.13316	4.9
199.11250	2.4
199.14864	4.1
201.12897	2.0
201.16370	1.7
206.11105	1.9
209.13326	4.3
211.13255	35.9
212.13625	1.7
213.12730	1.8
213.16653	2.6
215.14375	1.8
219.13811	1.7
221.13380	2.8
227.12657	3.1
227.14557	2.3
229.14255	2.6
235.15056	2.1
239.17879	2.2
243.21376	3.1
250.35429	1.7
259.20599	5.4
261.22238	6.5
267.15900	8.4
273.18637	1.7
275.20151	3.9
285.17105	7.2
289.14490	2.5
289.21603	1.9
291.19522	4.7
295.62384	1.7
297.22012	2.5
301.21637	2.1
303.23151	2.2
333.24536	4.0
335.25790	12.9
337.16684	2.7
339.23163	2.0
341.24777	2.0
351.23273	3.5
355.17651	6.7
369.24289	4.7
387.25430	2.8
411.20111	6.9
435.32483	3.0
443.27853	2.1
453.33597	3.6
461.29178	2.2
509.36630	3.0
527.37280	35.2
529.39197	2.0
545.38531	8.2
653.40265	6.1
671.41418	11.9
689.42529	65.4
690.42590	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	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01858	6.6
55.05509	22.3
57.03440	13.0
57.07065	3.5
61.02932	10.0
62.94651	1.4
65.03931	4.1
67.05502	54.7
68.05826	3.6
69.03425	24.7
69.07063	19.3
69.43252	11.8
71.01339	2.3
71.04988	10.0
73.02916	8.3
79.05493	39.1
80.05842	1.3
81.03416	59.5
81.07056	64.4
82.07397	1.6
83.04976	14.9
83.08618	11.8
85.02895	13.8
85.06522	4.1
87.04482	4.4
91.03944	4.4
91.05474	40.0
92.05796	1.5
93.07040	47.2
95.04977	10.9
95.08605	41.9
96.08939	1.6
97.02888	28.9
97.06525	5.2
97.10167	3.9
99.04472	6.9
99.08106	2.0
101.02359	2.3
105.07029	36.8
107.04945	3.6
107.08598	26.3
107.95481	1.3
109.02208	1.5
109.02848	8.7
109.06493	2.7
109.10156	19.4
110.10503	3.3
111.04422	4.8
111.08067	4.4
113.09717	1.8
115.03917	1.4
115.05440	3.3
117.07012	17.5
119.08576	27.7
119.09364	2.5
121.06521	3.3
121.10136	21.6
123.08082	3.7
123.11686	6.4
125.09619	3.2
127.03923	13.0
128.06233	3.5
129.05464	5.6
129.07001	16.9
130.07823	1.9
131.04881	1.3
131.08568	26.5
132.81918	1.6
133.06538	2.0
133.10118	24.0
135.08051	3.5
135.11707	9.4
136.12050	1.5
137.09564	1.4
141.06982	5.4
142.07748	2.3
143.08559	17.3
145.06485	2.0
145.10121	22.2
147.07993	3.1
147.11665	19.0
149.09604	3.0
149.13261	6.2
154.07701	1.6
155.08543	10.7
156.09369	1.8
157.10123	16.4
159.08093	2.0
159.11690	18.5
161.05991	1.7
161.09613	2.8
161.13240	8.3
163.11177	2.7
165.06877	1.8
165.12743	4.0
167.08513	7.9
167.14461	1.6
169.10118	16.0
171.11678	16.1
171.21442	1.5
173.04454	15.5
173.11845	2.9
173.13245	10.9
175.06044	1.9
175.11172	3.6
175.14828	3.4
177.12738	3.0
178.07748	1.6
179.08557	2.0
181.10081	7.8
183.11716	12.7
185.09599	1.7
185.13255	12.4
187.11174	2.6
187.14879	6.4
189.12793	1.9
193.10197	1.9
195.11674	6.1
195.13652	2.4
197.13231	10.2
199.06078	2.0
199.14865	7.8
201.16441	2.0
203.14246	1.9
207.11722	2.6
209.13271	4.6
211.11324	1.8
211.14827	6.2
213.16498	2.7
221.13409	2.0
223.14761	5.7
225.16530	1.8
229.14409	4.1
230.14725	3.4
231.15147	2.0
233.13268	2.4
235.14825	2.3
237.16295	3.2
241.19449	3.7
243.14249	1.7
259.20444	6.4
261.22144	4.5
263.96515	1.3
267.15918	5.2
269.17545	4.7
275.20044	2.2
283.20581	2.5
299.20010	1.5
299.23663	1.7
301.21793	1.6
309.22147	2.4
311.19897	1.8
315.23288	1.7
317.24777	1.8
323.23517	3.3
333.24759	3.0
335.26147	6.5
336.25998	3.7
337.16171	2.0
337.26300	1.9
339.23273	2.6
349.21362	1.5
367.22351	2.9
369.24002	2.1
405.24835	1.3
411.20114	1.9
413.21661	2.9
417.31613	3.5
425.34360	1.5
433.30637	1.7
435.32410	11.9
453.33405	5.0
471.34604	3.3
491.35696	2.8
492.36411	2.6
501.35413	3.9
509.36133	6.2
515.36664	1.6
517.38824	3.6
525.35394	3.6
527.37311	100.0
528.37610	6.2
529.38721	2.9
539.36859	3.0
543.35614	3.1
545.38391	11.1
552.55945	1.5
569.38062	2.1
593.38678	1.4
617.38153	1.6
635.39313	3.7
653.40137	4.8
671.41779	9.2
689.42609	38.6
690.42749	3.0
711.07599	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.4
53.03943	10.7
55.01859	7.1
55.05513	28.7
56.28224	1.7
57.03434	14.4
57.07060	5.3
59.04998	1.4
61.02929	9.8
65.03931	2.9
65.73544	1.4
67.05506	60.2
69.03429	22.0
69.07065	24.6
69.36578	10.9
69.36987	2.9
71.01361	2.6
71.04990	11.0
71.08665	1.4
73.02915	6.5
73.15230	1.4
79.05495	50.5
81.03418	67.6
81.07059	74.0
83.01325	1.7
83.04979	16.4
83.08625	10.6
83.54345	1.7
85.02905	14.4
85.06535	4.7
91.03962	3.9
91.04913	1.8
91.05484	49.1
93.07049	50.4
95.04949	10.9
95.08607	40.5
97.02898	25.4
97.06548	7.2
97.10169	7.1
98.20620	1.6
99.04457	7.7
99.08085	3.1
100.14835	1.5
101.02406	2.8
105.07026	44.6
107.04951	4.9
107.08600	31.4
109.02863	10.5
109.06516	5.4
109.10154	17.2
111.04439	6.0
111.08050	4.6
115.05457	3.6
117.07018	23.8
119.04934	1.9
119.08573	33.0
119.09357	2.5
121.06504	3.7
121.10152	23.6
121.10942	2.8
123.04432	2.9
123.08086	6.1
123.11724	9.2
123.34867	1.7
125.09664	2.5
127.03918	9.8
128.06241	6.7
129.05472	5.6
129.07013	16.9
131.08565	30.9
133.06496	1.9
133.10124	20.4
135.08093	3.0
135.11713	13.3
137.09612	3.2
141.06961	9.5
142.07809	3.9
143.08565	22.6
145.05058	1.9
145.06412	3.2
145.10117	30.9
147.08102	2.2
147.11685	22.5
149.09595	3.1
149.13251	9.8
151.11192	2.7
155.08537	11.9
157.10129	20.0
159.08096	4.1
159.11707	21.7
161.09627	2.9
161.13268	9.4
163.14873	3.3
165.12781	6.2
165.14224	1.4
167.08588	6.6
168.09331	1.9
169.10143	13.6
171.11693	16.0
173.04478	15.2
173.13277	15.8
175.11203	3.7
175.14853	6.0
177.12730	2.9
179.08575	2.4
181.10136	8.7
183.11685	12.1
185.09705	3.2
185.13251	17.8
187.11224	2.0
187.14842	5.6
189.12852	2.0
193.10281	3.2
193.12187	2.1
195.11703	7.2
195.13853	2.8
197.13275	11.4
199.11259	1.7
199.14876	6.1
201.16368	2.0
207.11716	4.3
209.13313	5.6
211.11160	3.2
211.14838	6.1
213.12733	1.7
213.16409	4.3
215.14209	2.1
221.13251	3.1
223.14912	4.1
225.12714	3.0
225.16431	3.2
235.15031	2.3
239.18040	2.8
241.19542	4.7
251.18086	1.9
257.15417	1.6
257.18967	2.6
259.20596	10.3
261.22174	5.3
263.23801	1.7
267.15988	5.9
269.17422	5.9
273.18597	2.8
275.20154	3.6
283.20624	1.8
297.22174	1.7
301.21609	4.3
311.23764	2.2
313.21667	2.7
315.23032	1.7
321.21933	2.6
323.23608	2.0
325.21875	1.8
333.24179	5.6
335.25861	8.8
351.22888	1.8
364.94223	1.8
365.87555	2.1
367.22821	2.7
369.24203	2.1
407.03284	1.7
411.19992	3.1
413.21902	3.2
417.31470	5.2
432.99933	1.5
435.32800	12.1
453.33899	7.9
471.34799	4.5
491.34879	2.0
501.35263	3.4
509.36346	7.3
517.39221	3.8
525.35339	5.6
527.37347	100.0
528.37164	2.8
529.38531	4.3
539.37170	2.9
545.38562	9.0
551.36792	1.8
569.38440	4.3
581.38403	2.6
617.38367	2.1
623.69733	1.6
635.39105	5.3
653.40912	7.7
671.41638	12.0
689.42542	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	689.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23635	1.5
53.03944	13.1
55.01873	7.8
55.05509	28.2
55.34533	1.7
55.72672	1.7
57.03434	15.2
57.07066	4.6
61.02928	12.5
63.90002	1.6
65.03934	5.1
67.05501	77.8
68.05809	1.9
69.03066	2.8
69.03424	31.8
69.07064	27.6
69.26657	19.9
71.04992	13.5
73.02911	9.4
73.19557	1.6
73.47064	1.6
73.51424	2.0
79.05491	59.4
81.03413	81.8
81.07051	85.5
83.04980	20.4
83.08615	13.6
85.02899	17.2
85.06530	4.9
91.03930	6.5
91.04901	2.0
91.05476	60.1
93.07039	60.9
93.51300	1.8
94.07386	1.6
95.04962	18.8
95.08597	49.9
97.02882	31.0
97.06524	10.6
97.10159	6.7
99.04442	8.7
99.08082	3.2
100.09798	1.6
103.05453	2.8
105.04488	2.0
105.07024	57.6
107.04936	6.8
107.08590	39.8
109.02882	10.2
109.06512	11.1
109.10152	19.6
111.04429	6.9
111.08083	4.8
113.09669	1.7
115.05437	3.1
117.07016	25.9
119.08573	42.0
121.06478	5.2
121.10146	28.1
123.04401	4.1
123.08049	7.0
123.11694	10.2
125.09586	3.2
127.03908	14.0
127.07494	2.4
128.06210	4.7
129.05461	7.0
129.06987	23.5
130.03348	1.9
130.07803	2.5
131.08560	38.9
133.06456	2.6
133.09122	1.7
133.10118	30.1
135.07986	4.0
135.11679	17.2
135.96222	1.6
137.09517	2.1
141.06973	8.5
142.07755	4.0
143.08553	24.6
144.09285	2.5
145.06424	5.4
145.10120	30.2
147.04347	1.8
147.08037	4.9
147.11682	33.3
149.09612	4.7
149.13219	11.8
151.07468	1.7
151.11111	4.0
153.06981	2.5
154.07724	2.5
155.08542	16.4
157.06429	2.3
157.10117	27.4
159.08008	3.4
159.11691	25.9
161.09677	3.7
161.13254	7.1
163.11174	3.3
165.07037	3.2
165.12715	10.4
167.08519	4.8
168.09291	3.5
169.10129	19.2
171.11707	18.8
173.04405	13.2
173.09589	2.1
173.13242	14.6
175.11188	2.9
175.14783	4.2
177.12701	3.6
179.08589	3.0
181.10081	9.2
182.10847	2.2
183.07986	2.3
183.11659	16.7
185.09608	3.1
185.13264	18.1
187.11174	2.7
187.14810	5.9
189.12689	2.4
193.10304	2.1
193.12198	3.5
194.10596	1.9
195.11687	9.1
195.13800	4.6
197.09532	2.6
197.13235	10.5
199.11218	2.6
199.14803	10.0
201.12752	2.8
201.16333	2.2
203.14377	2.4
205.10106	2.0
207.11678	4.9
209.13300	5.6
211.12988	2.1
211.14821	4.9
213.12807	2.5
213.16402	3.3
215.10794	2.1
219.11917	1.9
223.11046	2.5
223.14844	3.4
225.16414	2.4
235.14914	2.3
239.17909	2.3
241.19527	6.0
249.16490	2.7
251.17856	1.7
257.18954	2.2
259.20468	11.5
261.22128	9.1
267.15829	8.7
269.17453	8.6
271.20499	2.1
283.20374	2.3
285.16861	4.6
289.21677	2.9
297.22269	1.8
299.19992	1.8
301.21622	3.9
311.23633	2.5
313.21671	1.9
315.23071	3.8
323.23389	2.3
325.21695	1.6
329.24921	2.0
333.24109	6.0
335.25983	11.2
339.23199	2.2
341.25015	2.2
351.23166	2.9
352.90451	1.9
361.24615	2.3
367.22537	4.5
369.24106	5.0
385.23691	3.1
387.25336	1.8
411.20090	4.5
413.21985	2.3
417.31354	4.3
425.33807	3.8
433.30603	2.3
435.32538	15.6
453.33481	6.0
471.34488	6.7
499.37741	2.0
509.36237	7.4
517.38776	4.4
525.35468	3.3
527.37311	100.0
528.37311	6.0
529.38934	4.1
531.36450	1.6
539.37195	4.0
545.38568	9.4
551.37238	2.2
569.37872	3.5
573.37506	2.3
579.36224	2.7
597.37921	2.0
617.37872	2.7
635.39056	7.2
653.39996	10.6
671.41443	13.1
689.42499	50.0
690.42493	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
52.99683	0.5
53.03942	1.7
55.01869	2.1
55.05276	0.7
55.05513	8.7
56.96555	0.7
57.03434	3.8
59.05006	0.5
61.02614	0.7
61.02927	14.5
65.03928	1.7
67.05180	0.9
67.05505	12.8
68.99769	0.6
69.03428	6.8
69.07061	4.2
70.06565	0.7
71.04997	1.1
71.60614	0.6
73.02921	5.2
79.05493	14.0
81.03421	3.9
81.07056	21.2
83.01337	0.6
83.04974	2.2
83.08611	2.6
85.02905	17.6
85.06531	1.3
86.09753	0.7
87.06697	2.2
91.03960	8.7
91.04899	1.2
91.05481	23.2
93.03414	0.5
93.07043	15.9
94.86018	0.6
95.04957	4.1
95.08604	12.0
97.02893	11.8
97.06541	4.4
97.10176	1.8
99.04455	1.5
99.08106	0.7
100.96413	0.5
101.02401	0.8
103.05465	1.1
105.07030	15.9
107.04944	2.0
107.08598	7.5
109.02853	2.8
109.06521	9.2
109.10143	3.1
111.04431	0.7
111.08080	2.9
111.94431	0.5
115.03934	0.8
115.05464	1.9
116.06237	0.5
117.07024	9.7
117.15841	0.5
119.04935	2.0
119.08582	10.4
121.06502	4.6
121.10150	5.4
123.04432	0.7
123.08063	4.8
123.11730	1.5
125.05992	1.5
125.09616	1.3
127.03924	4.7
128.06207	4.6
129.07007	7.0
130.07782	0.9
131.08562	19.6
131.09538	1.2
132.08894	0.7
133.06490	8.8
133.10150	9.3
135.08060	4.8
135.11662	2.6
137.05960	2.9
137.09615	1.8
137.13310	0.6
138.23051	0.5
139.11189	0.7
141.04085	1.1
141.07011	2.1
142.07765	1.4
143.05641	95.4
143.08568	20.0
144.05978	1.3
145.02829	1.9
145.04987	2.8
145.06454	1.6
145.10132	16.4
147.04408	1.7
147.08047	10.3
147.11684	4.8
149.05978	0.7
149.09578	3.2
149.13242	2.7
151.07474	2.6
151.11201	2.6
155.05676	2.3
155.08548	2.9
155.38239	0.6
157.10124	6.0
159.08087	3.1
159.11693	11.8
161.06027	1.0
161.09616	11.0
161.13197	1.0
163.06102	0.8
163.07501	0.8
163.11154	2.3
165.06979	0.9
165.09131	0.7
165.12756	1.3
167.07051	2.5
167.08415	1.3
169.10117	4.2
171.08051	1.2
171.11674	5.5
173.09613	3.9
173.13258	1.1
175.03891	1.6
175.07509	0.7
175.11171	4.5
177.05455	3.7
177.09010	0.6
177.12764	7.5
179.08548	0.7
181.10143	3.3
183.11684	3.1
185.09628	1.3
185.13277	2.5
186.09816	0.6
187.11159	1.0
189.12708	1.4
195.11711	5.3
197.13234	1.1
199.11200	1.5
199.14932	1.4
201.12682	0.7
203.14311	0.7
206.59109	0.5
207.06517	5.3
209.13324	1.3
211.14891	1.2
213.12724	1.2
227.17955	2.3
237.16373	6.7
245.18954	1.0
255.17436	12.4
270.08487	0.6
273.18491	32.3
279.18130	1.7
287.05481	2.3
287.10474	0.8
291.19537	2.0
297.18658	0.7
305.10876	2.2
347.22171	100.0
348.22583	1.7
365.23215	7.8
373.09680	1.4
399.21976	1.0
417.22726	0.6
421.85941	0.6
430.41599	0.5
435.24048	0.7
473.25198	0.8
485.61179	0.6
491.26523	0.9
493.89825	0.6
499.13287	1.5
509.27591	3.8
517.14288	0.9
527.28851	2.6
535.14771	2.9
553.16254	8.1
600.14996	0.6
639.22473	0.5
646.49615	0.7
689.27740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.7
53.03938	5.2
55.01874	6.0
55.05272	1.0
55.05513	15.8
57.03187	1.0
57.03439	10.2
57.07053	1.3
59.04994	1.8
61.02927	24.8
67.05507	23.8
68.05817	0.9
69.03427	24.5
69.06727	1.3
69.07066	15.2
71.01328	2.4
71.04990	6.2
71.59962	1.0
73.02916	8.5
77.25799	0.7
79.05490	20.1
81.03416	25.0
81.06588	1.3
81.07056	22.6
81.34384	0.7
83.01313	1.0
83.04977	7.5
83.08156	0.8
83.08620	9.3
85.02902	33.8
85.06541	1.2
87.04458	1.2
91.03954	14.7
91.05476	18.1
93.07045	16.2
95.04967	12.3
95.08608	10.5
97.02892	32.2
97.03520	1.8
97.06512	4.3
97.10162	11.5
99.04456	7.1
99.08076	1.0
101.02368	4.1
103.03949	3.3
103.05499	0.8
105.03342	1.0
105.07024	12.5
107.04948	8.6
107.08593	12.4
109.02879	9.8
109.06509	4.4
109.10147	10.8
111.04416	3.7
111.08084	3.4
115.03905	3.1
115.05488	1.0
116.06245	0.8
117.07004	7.3
119.04929	3.1
119.08585	11.1
119.80156	0.9
121.06521	3.6
121.10145	8.8
123.04436	2.9
123.08096	4.6
123.11681	2.1
125.05978	1.4
125.09628	10.7
127.03920	15.5
129.05460	2.5
129.07002	4.0
131.04918	1.8
131.08565	8.5
133.06483	4.1
133.10121	8.1
133.99043	0.7
134.07240	1.3
135.08002	3.7
135.11690	4.5
137.05995	2.0
137.09615	2.9
139.11172	1.0
142.07722	1.5
143.05637	1.1
143.08592	3.9
143.10614	1.3
144.36568	0.8
145.02805	1.1
145.04945	5.4
145.06450	1.4
145.10127	6.3
147.04396	2.2
147.08038	6.0
147.11679	2.2
149.05858	1.1
149.09578	5.1
149.13263	1.8
151.07556	1.5
151.11165	2.4
153.09099	1.6
155.08542	1.3
157.10097	3.7
159.08029	1.6
159.11702	3.2
161.06029	1.3
161.09607	2.4
161.13203	1.4
163.06018	0.9
163.11153	3.5
165.09093	1.9
167.07094	1.4
169.12274	2.1
171.06418	0.8
171.08020	1.1
171.10306	0.9
171.11682	2.0
173.04439	1.5
173.09636	1.7
173.11795	1.3
173.13275	1.2
175.03909	2.4
175.11217	3.4
177.05444	2.3
177.09084	1.7
177.12749	1.3
181.12219	1.1
183.06557	3.6
187.07487	0.8
187.11221	1.2
187.13300	1.3
189.11206	8.0
189.12737	1.5
191.10667	1.5
193.12238	6.0
195.13817	1.6
199.11162	1.5
201.07571	2.4
205.12259	1.1
205.90346	0.8
207.06589	4.0
209.11734	1.2
211.13266	9.0
217.15869	0.8
223.13290	11.8
227.12799	5.1
229.14380	1.3
235.13196	2.2
239.61993	0.7
245.13576	1.0
245.18921	1.5
249.14825	5.4
253.14317	1.0
255.17422	1.3
259.13251	0.8
265.14404	1.3
267.15851	3.8
269.13632	1.4
273.15503	0.9
273.18494	15.4
283.15527	1.2
285.16998	1.5
291.19528	100.0
294.26563	0.8
301.14169	1.3
347.22266	7.0
355.17569	0.9
365.23227	33.4
373.14899	1.0
381.19962	1.3
389.22876	1.5
393.22690	2.1
407.24097	1.7
411.20087	1.1
413.17734	2.7
429.21173	2.1
435.23816	0.9
473.25031	2.4
477.28525	1.4
491.26486	1.5
509.27368	6.6
527.28247	4.7
558.94714	0.8
565.21313	0.8
585.28815	14.9
689.34088	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81710	0.1
53.03942	0.2
55.01869	0.2
55.05504	0.4
57.03430	0.3
57.07073	0.2
60.05639	0.2
61.02919	0.4
61.12086	0.1
63.73531	0.1
65.03905	0.1
66.51984	0.1
67.05508	0.6
67.77225	0.1
68.99793	0.3
69.03434	1.1
69.07070	1.1
69.49100	0.3
69.49510	0.7
70.06587	0.2
71.04997	0.3
73.02906	0.4
78.26675	0.1
79.05491	1.2
80.05802	0.1
81.03426	1.2
81.07056	8.1
83.02498	0.1
83.04967	0.2
83.08619	0.2
84.08105	0.1
85.02904	1.1
87.00834	0.3
87.06719	3.5
91.03943	0.2
91.05486	1.0
93.07059	0.7
95.04962	0.3
95.08610	1.8
97.02897	0.8
97.06546	0.2
99.04446	0.4
99.57806	0.1
103.05525	0.2
105.07034	0.4
107.04946	0.3
107.08576	0.3
109.02871	1.3
109.06520	0.2
109.10205	0.3
111.04481	0.1
113.04594	0.2
115.06244	0.1
117.07034	0.3
119.04981	0.6
119.08576	0.5
121.06506	0.2
121.10123	0.2
122.74724	0.1
123.04391	0.2
123.08033	0.2
125.04578	0.2
126.03031	0.2
127.03926	1.3
129.01817	0.1
129.07048	0.2
131.08569	0.4
133.06497	0.2
133.10133	0.3
136.07640	0.2
137.05991	0.4
137.13275	0.6
141.01721	0.1
141.04036	0.7
141.06992	0.1
142.04903	0.2
143.05644	100.0
144.05975	0.3
145.02826	0.3
145.04950	0.2
145.10121	0.4
147.04465	0.6
147.11714	0.1
151.03903	0.1
151.07515	0.1
155.05644	2.9
155.06932	0.2
155.08501	0.1
157.10184	0.2
159.02824	0.1
159.11673	0.3
161.06035	0.2
161.09628	0.2
165.09061	0.1
167.05666	0.2
167.07028	0.5
171.11702	0.1
175.03893	0.9
175.61267	0.1
177.05478	0.8
181.04947	0.2
185.06706	0.5
189.12758	0.1
207.04616	0.2
207.06531	1.8
213.03868	0.2
229.68414	0.1
231.04980	0.3
233.06683	0.1
255.17372	0.2
273.18552	0.6
279.18137	1.6
287.05670	0.6
287.10141	0.3
305.10913	2.0
347.22229	1.8
365.23413	0.1
373.09930	1.7
399.28860	0.1
433.12045	0.3
441.23468	0.3
481.11670	0.1
499.13095	1.3
517.14301	1.4
535.15186	3.8
553.16272	10.4
599.15405	0.1
653.25940	0.1
689.28271	1.2
689.37921	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	687.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.2
55.01878	12.9
55.05510	38.6
56.96578	1.8
57.03431	12.0
57.07080	4.8
60.02433	1.8
65.03926	6.0
67.05507	82.4
69.03433	26.2
69.07063	36.0
71.04997	10.1
71.60962	3.0
76.62581	2.2
79.05494	78.1
81.03419	62.2
81.07057	100.0
83.04982	19.2
83.08604	16.8
85.02904	13.2
85.06561	5.9
91.05485	79.7
91.05917	2.1
93.07047	78.6
95.01306	2.6
95.04972	24.6
95.08602	49.9
97.02888	20.8
97.06521	18.8
97.10171	8.8
99.04432	6.8
103.05456	4.0
105.04559	3.0
105.07031	63.9
107.04967	16.2
107.08595	54.9
107.09299	4.1
108.05795	2.2
109.02864	13.1
109.06510	13.6
109.10158	17.6
111.04461	9.7
111.08085	7.1
115.05488	5.3
116.06291	2.2
117.07006	27.4
119.04951	2.7
119.08588	44.0
121.06518	9.9
121.10167	25.2
123.04449	3.0
123.08063	8.3
123.11710	7.8
125.09608	10.1
127.03903	13.6
128.06183	5.2
129.06999	19.5
130.07838	3.0
131.08566	39.4
133.06514	6.7
133.10141	31.5
135.08096	9.3
135.11662	13.1
137.05983	4.7
137.09610	3.1
141.07036	7.5
142.07800	3.9
143.08585	17.9
145.06529	7.6
145.10129	33.4
147.08054	7.5
147.11679	20.7
149.02325	2.5
149.09624	16.0
149.13293	13.4
151.11234	3.4
155.08577	13.0
156.09506	2.3
157.06453	3.4
157.10149	18.1
159.08072	4.2
159.11687	25.6
161.09607	5.0
161.13301	7.8
163.11151	10.2
165.12816	3.8
167.08588	5.1
169.10136	11.1
171.08035	3.4
171.11740	9.5
173.04471	9.2
173.05942	3.4
173.09735	5.7
173.11922	2.3
173.13281	9.8
175.11172	4.9
177.12787	7.2
179.14377	6.0
181.10152	7.0
183.11649	10.8
185.09662	4.5
185.13274	7.0
187.11124	4.3
189.11220	4.2
195.11855	4.4
195.13866	9.8
197.13246	6.7
199.11258	5.0
199.14899	3.9
201.12724	3.2
213.16516	3.1
221.13380	2.8
223.14969	2.9
227.12695	2.4
229.12129	3.0
229.19633	3.6
237.12549	2.3
239.17964	3.8
247.20483	3.0
255.17410	3.0
257.19064	10.9
259.20737	2.9
267.15915	3.3
269.17447	10.4
271.20529	3.0
273.18509	5.1
275.16974	4.9
275.20071	57.8
283.15445	2.4
291.19547	3.3
293.21451	3.1
303.16077	2.8
321.16855	2.3
331.22946	2.8
339.18051	4.4
349.23724	4.0
383.22345	5.9
395.20740	9.0
406.80847	2.5
433.31152	4.1
515.37726	2.5
525.35822	15.4
543.36877	13.6
567.36572	2.9
595.35297	2.2
633.38831	2.7
651.39337	4.3
669.39703	10.8
687.40961	83.4
701.24158	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	687.3021
Annotation	CHEBI:68367
Peak:m/z	Relative Intensity
53.03957	0.8
55.01848	1.2
55.05514	3.9
56.62969	0.7
57.03439	1.3
57.07068	0.7
60.03807	0.6
67.05502	8.3
69.03441	1.2
69.07063	3.0
69.38819	2.7
69.39250	4.6
69.62015	0.8
79.05495	7.5
81.03423	3.9
81.07052	9.4
83.04974	2.4
83.08617	2.0
83.44283	0.7
85.02882	0.9
91.05492	7.3
93.07039	5.9
95.04961	1.5
95.08610	4.7
97.02898	1.1
97.06559	1.4
98.20806	1.8
101.78691	0.8
105.07053	5.1
107.04955	1.5
107.08607	2.7
109.02894	1.2
109.06518	2.6
109.10177	1.8
117.07034	1.9
119.08590	4.9
121.06490	1.1
121.10149	2.3
125.09646	0.9
127.03904	1.1
129.07007	1.5
131.08585	3.7
132.08099	1.0
133.10104	4.5
135.11690	1.5
143.08568	1.7
144.08157	0.9
145.06479	1.6
145.10138	2.4
147.11670	1.9
149.13300	1.1
155.08566	1.2
157.10193	1.3
159.11713	2.2
161.13239	1.1
173.13306	1.3
173.81905	0.8
176.01189	0.9
193.04924	1.1
195.09171	1.2
195.11685	0.7
197.10788	1.0
199.08633	1.3
209.10738	6.5
210.11487	2.0
211.12343	3.6
213.10176	1.1
221.10782	1.1
222.11525	2.7
223.08821	1.6
223.12323	4.2
224.13097	4.1
225.13924	3.5
226.14725	1.3
227.08148	0.9
235.12257	1.0
236.13121	1.5
237.10158	2.7
237.13892	13.3
238.14668	5.2
239.11829	1.0
239.15448	3.5
241.09772	1.7
251.11972	1.4
253.13477	2.0
255.11272	1.5
265.13403	8.0
266.14188	3.1
267.14960	3.3
273.12344	1.9
275.20105	5.5
293.13004	0.9
297.12454	3.2
301.15662	1.1
309.16052	1.8
311.25784	0.9
314.16623	1.2
315.13409	3.4
325.15430	8.7
326.16483	0.9
327.17221	3.7
328.14487	1.2
328.18073	1.3
335.13754	1.1
340.14551	0.9
343.12482	1.1
344.17593	0.9
349.23477	0.9
350.08298	0.9
374.18927	1.5
376.20367	1.0
380.16913	1.0
386.18762	1.2
388.20386	1.7
394.18274	1.2
401.21307	1.4
402.21933	2.1
404.23523	1.2
405.16608	0.9
409.20520	1.2
414.18265	1.1
418.17468	1.1
419.18622	2.3
432.19321	1.1
433.20328	1.3
434.20874	1.0
437.19278	2.0
451.21286	1.2
461.19571	1.0
463.40521	1.0
480.22729	0.8
482.23529	1.5
490.22745	2.5
491.23807	2.5
494.20163	1.0
497.25372	3.0
506.23596	1.3
507.24139	3.6
508.22351	0.8
509.20917	1.0
510.22906	1.0
511.23517	1.0
521.25659	1.4
524.23804	1.0
525.24963	6.7
525.32300	1.0
525.35559	1.1
539.26483	1.6
540.27283	1.6
543.37415	0.9
549.24872	3.4
550.23309	0.9
552.23730	1.5
553.24420	2.4
567.25958	4.5
568.26349	2.2
579.25836	1.2
585.26642	1.0
595.25897	4.2
609.27203	13.5
613.26746	1.4
623.25226	2.2
627.28186	34.6
628.27637	1.2
637.26349	3.3
645.29572	0.9
655.27606	100.0
656.27313	1.4
657.40179	1.4
687.29681	1.8
687.40137	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	687.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36019	0.1
53.03935	0.3
55.01870	0.1
57.03428	0.1
60.05637	0.2
65.26985	0.1
67.05497	0.1
68.99769	0.3
69.03426	1.1
69.28412	0.9
69.30394	0.1
70.06583	0.1
71.04990	0.2
72.08138	0.2
73.02884	0.1
73.04026	0.2
76.99996	0.1
81.03414	1.5
83.04947	0.1
84.08133	0.1
85.02900	1.1
86.09641	0.1
87.00810	0.3
87.06709	3.5
91.05466	0.1
93.07030	0.1
95.04959	0.2
97.02887	1.1
98.20751	0.1
99.04433	0.4
105.01842	0.1
107.08570	0.1
108.92822	0.1
109.02874	1.7
111.04424	0.2
111.06650	0.2
112.30716	0.1
113.04558	0.4
114.03005	0.1
121.02852	0.4
123.04423	0.1
125.02337	0.2
125.03442	0.2
125.04552	0.2
125.56470	0.1
126.03020	0.2
127.02971	0.1
127.03914	1.9
127.04798	0.1
129.01857	0.2
129.10223	0.1
131.57942	0.1
135.04445	0.1
135.05421	0.1
137.05972	0.3
141.01843	0.2
141.04060	1.6
142.04851	0.4
143.05630	100.0
144.06100	0.5
145.04947	0.3
147.04361	0.1
151.03922	0.2
151.07573	0.2
153.05457	0.1
155.05640	0.3
159.02831	0.1
167.05609	0.4
167.07039	0.3
167.53239	0.1
175.03937	0.1
177.05499	0.2
185.06689	1.1
191.05681	0.1
207.06546	0.3
209.06738	0.3
213.03943	0.3
231.04869	0.2
233.06731	0.3
235.06082	0.1
237.10452	0.1
251.07678	0.3
251.28047	0.1
269.08847	0.1
305.10883	1.4
328.30203	0.1
331.15747	0.1
337.07843	0.2
355.08722	0.2
357.08270	0.2
373.09909	1.4
375.08966	0.1
391.10968	0.2
397.09952	0.1
415.11044	0.1
433.11938	0.6
463.10950	0.4
481.11993	0.5
499.13034	2.8
500.12506	0.1
517.14081	1.8
535.15118	3.5
549.74689	0.1
630.45056	0.1
687.19519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
53.14655	0.8
55.05509	11.4
57.03440	14.4
57.07074	3.0
59.05004	4.2
61.02931	5.1
65.03946	3.2
67.05506	100.0
69.03430	1.1
69.07072	8.6
71.04989	3.1
73.02926	1.0
79.05497	22.0
81.07055	41.7
83.04974	0.7
83.08619	8.8
85.02913	5.3
85.06520	3.5
86.66708	0.7
91.03970	2.4
91.05485	13.1
91.06021	1.1
92.17942	0.7
93.07043	27.4
95.04995	3.1
95.08605	27.0
97.02917	2.1
97.06552	1.7
97.10201	2.4
99.08123	1.4
105.07024	8.4
107.08598	14.9
109.10156	74.9
111.08116	3.4
117.07040	2.6
119.08583	10.2
121.10143	11.3
123.11705	3.9
125.09650	0.9
131.08554	5.5
133.10138	4.9
135.11702	8.3
137.09608	3.8
137.13286	1.7
145.10080	4.5
147.11703	3.4
149.13228	4.3
151.67702	0.7
155.10645	3.9
159.11719	3.9
161.13281	3.0
163.14854	1.8
166.35014	0.7
173.11760	21.6
173.13269	2.8
175.14920	1.4
187.14902	2.2
227.12801	3.8
229.14355	81.3
230.14645	1.6
243.21118	4.8
261.22144	16.3
317.24930	2.7
335.25800	71.7
336.26398	2.5
374.36917	0.8
397.31143	1.4
415.32220	1.0
471.35013	1.5
489.35776	52.9
490.36319	3.2
507.37122	2.9
564.05261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05263	1.0
55.05511	10.9
57.03152	0.7
57.03436	12.5
57.07068	1.3
59.04999	4.3
61.02927	3.8
65.03953	2.8
67.05502	91.7
69.03429	1.2
69.07066	7.4
69.92931	2.7
71.04991	3.9
73.02916	0.7
79.05490	16.7
81.07053	33.6
83.04979	0.7
83.08611	7.4
85.02901	2.1
85.06534	2.4
91.03954	1.9
91.05478	12.0
93.07037	21.2
95.04971	1.6
95.08604	27.4
97.02885	1.8
97.06540	1.6
97.10173	2.1
99.08073	0.8
105.04533	0.6
105.07020	6.7
107.08593	12.9
109.06538	0.7
109.10153	78.5
110.10482	1.1
111.08087	2.7
113.05978	0.6
117.07038	2.5
119.08569	9.7
119.09367	0.9
121.10145	9.0
123.11690	3.0
125.09644	0.9
131.08569	5.0
133.10115	4.6
135.11693	7.5
137.09621	3.3
137.13275	1.3
145.10115	4.4
147.11679	4.2
149.13266	4.0
151.14720	0.7
155.10626	4.3
159.11708	3.0
161.13242	2.1
163.14746	2.9
173.11754	24.1
173.13251	3.5
174.12088	0.6
175.14801	1.1
177.16389	0.9
187.14813	1.8
189.11145	0.7
189.16258	0.5
198.49390	0.6
201.16380	0.7
227.12772	5.6
229.14343	100.0
230.14682	2.2
243.21074	6.1
261.22141	19.1
262.22470	0.6
291.23068	0.6
317.24814	3.6
335.25790	70.9
336.26141	2.5
378.48312	0.6
379.29944	1.1
395.27499	0.6
397.30905	1.4
415.32117	0.9
433.33606	0.6
436.90607	0.5
471.34634	1.7
478.65933	0.6
489.35745	40.3
490.35883	2.0
507.36884	3.3
655.13885	0.5
666.76648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
57.03428	0.8
57.07066	0.5
60.79904	0.5
67.05490	2.5
67.84371	0.5
69.07070	1.8
79.05492	3.3
81.07061	3.7
83.08624	0.9
86.96488	0.6
91.05493	2.1
93.07025	3.4
95.08610	2.2
96.12991	0.5
97.06512	0.8
98.20781	1.1
105.07030	1.8
107.08591	2.3
109.10131	0.6
119.08597	1.1
133.10159	1.0
135.11740	1.0
145.10199	1.0
161.13286	0.6
185.87492	0.6
215.21521	0.6
215.50296	0.6
219.74553	0.6
229.25821	0.6
242.48811	0.6
333.20407	7.9
389.22925	5.2
476.16339	0.6
683.44897	100.0
684.45038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88820	0.8
51.30845	0.8
52.20452	0.8
53.03942	4.5
54.02521	0.8
54.37078	0.9
55.01871	3.8
55.05504	7.4
56.05849	1.8
57.03422	3.3
58.45927	0.7
60.04535	1.0
61.02919	3.3
62.83706	1.0
67.05490	1.3
68.99766	1.0
69.03438	14.2
69.40350	6.1
69.40757	2.3
70.06578	1.6
71.04989	2.0
72.04422	0.8
72.20174	0.8
73.02910	2.7
79.05518	4.3
81.03419	18.7
81.07053	1.8
83.08607	4.5
83.88413	1.0
84.08127	0.9
84.08949	3.1
85.02911	23.8
87.00838	11.9
89.03886	1.2
89.06110	0.9
91.03987	1.1
91.05462	5.4
93.07052	2.0
95.04974	3.5
95.08609	1.2
95.73972	0.9
97.02896	14.8
99.04453	5.2
100.07616	2.1
100.11263	27.5
101.10972	1.8
101.11592	15.2
102.11944	2.8
103.05491	2.6
105.01878	8.9
105.07060	2.7
107.04966	9.1
107.08601	1.2
108.04456	2.6
109.02204	1.6
109.02889	13.2
109.06461	1.2
109.10203	0.9
110.05975	1.2
111.04451	3.0
112.04811	1.1
112.07649	1.7
115.05472	6.1
117.01875	2.0
117.07026	14.2
119.04955	1.8
123.04429	2.3
124.01323	0.9
124.05234	2.3
125.06020	1.4
127.03925	22.5
128.07101	2.3
129.01860	2.3
129.06981	1.8
131.04912	1.2
131.08589	3.6
133.06506	1.3
137.05974	2.5
139.08748	1.1
141.06989	2.1
143.05721	1.5
144.05754	3.2
145.02922	2.3
145.04997	6.4
145.06505	36.0
147.02879	1.2
151.03967	1.0
152.04739	1.6
155.06038	3.4
156.05696	5.6
157.06558	1.5
159.02917	7.1
159.08102	6.9
160.05219	1.2
161.05997	3.6
163.03937	3.2
167.07051	49.9
169.07626	1.0
173.05989	60.9
175.03989	1.0
175.07448	1.3
177.05472	6.5
178.05899	1.8
181.04997	1.3
181.08621	1.7
182.15414	6.6
183.06577	1.5
183.15758	5.0
184.05223	1.9
184.16026	3.9
185.05890	1.0
187.07536	7.2
189.37404	0.9
190.06255	36.0
191.06967	2.2
193.08600	1.8
202.06305	2.8
203.07025	6.1
205.08606	100.0
207.06619	3.6
209.08203	1.1
209.16536	4.3
210.14937	4.6
210.16870	5.3
211.15247	6.7
211.17171	3.2
212.15492	7.1
212.17316	1.7
213.04025	1.3
213.15540	2.0
217.08606	41.3
218.07265	1.0
219.08218	1.6
219.10248	5.5
223.09750	1.9
226.19302	1.0
229.08817	1.1
231.05083	2.9
231.08173	1.2
235.09648	29.2
245.09792	1.2
246.53806	1.0
247.07672	1.6
247.09729	8.7
248.07974	1.7
249.11290	1.5
263.10876	1.0
264.08044	1.5
264.34009	0.9
265.10730	38.6
269.08237	2.1
271.06076	3.7
271.09662	2.8
275.06952	1.7
277.08539	1.7
287.05560	1.3
288.05762	1.2
291.10297	2.8
301.07355	1.0
307.09555	2.1
315.08542	6.1
319.09875	1.9
323.12921	3.1
327.27942	1.1
328.28677	1.0
330.10986	16.1
331.11838	3.7
336.09982	1.3
337.10733	1.6
338.23581	1.2
339.12134	1.5
343.11661	1.9
351.12302	4.1
351.24661	3.0
352.12924	1.1
353.10141	1.0
359.23285	1.8
369.13422	2.6
371.14957	3.8
383.14920	18.5
401.16016	18.1
440.37598	1.1
527.19830	1.1
665.51373	7.3
683.52307	48.5
684.52570	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	683.4489
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
53.03941	0.4
54.09718	0.4
55.05507	0.9
57.03428	0.5
61.33617	0.4
67.05501	2.6
69.07066	1.3
71.04978	0.4
78.73010	0.5
79.05492	2.9
81.03394	0.6
81.07053	2.9
83.08635	0.7
91.05467	2.2
91.20844	0.4
93.07028	2.8
95.04990	0.6
95.08601	1.6
105.07041	1.6
107.08595	1.5
109.10172	0.7
119.08577	1.7
121.10144	0.7
131.08560	0.7
133.10162	0.9
135.59511	0.4
143.08548	0.4
145.10107	0.5
147.11696	0.5
157.38084	0.4
179.51591	0.4
247.13190	0.6
303.15897	0.5
315.19348	0.5
317.20908	0.7
333.20367	9.8
333.24164	0.7
344.67468	0.4
373.23428	1.1
389.22943	4.6
597.37805	1.3
683.44928	100.0
684.45471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
57.03429	0.9
59.39317	0.8
61.34042	0.8
61.78697	0.9
66.25686	0.8
67.05505	3.0
69.07053	1.0
79.05495	2.5
81.07044	4.0
85.81743	0.9
89.67448	0.8
91.05481	2.4
93.07059	2.8
95.08634	1.7
98.20732	2.6
105.07071	2.0
107.08596	2.1
133.10094	1.4
135.11674	0.9
141.19612	0.8
159.11765	0.9
175.11441	0.7
243.21385	1.1
317.21115	1.5
333.20508	7.6
373.23529	1.2
389.22855	4.8
540.07648	1.0
578.06763	1.0
663.52917	0.9
683.44952	100.0
684.45477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88830	0.2
53.03925	0.5
55.01856	0.5
55.05511	1.2
57.03402	0.9
59.04975	0.3
61.02927	1.3
65.03909	0.6
67.05512	3.6
69.03422	1.8
69.07025	1.0
71.01319	0.4
71.04966	0.5
71.60736	0.3
72.43040	0.2
77.03893	0.2
77.50364	0.2
79.05463	0.9
81.03432	1.6
81.07070	1.6
83.04965	0.2
83.08591	0.4
85.02905	2.0
85.06515	0.3
89.03888	0.5
91.03953	0.5
91.05476	3.3
92.05000	3.8
93.05750	0.9
93.06990	0.9
94.06517	1.0
95.04951	0.5
95.08582	0.5
97.02406	0.2
97.02904	1.8
99.04440	0.5
101.02332	0.4
103.05479	0.2
104.71130	0.2
105.06982	0.8
106.06567	1.8
107.04916	0.4
107.08565	0.7
109.02865	1.5
109.10178	2.1
111.08051	0.3
112.04789	0.2
115.16868	0.3
117.03400	1.2
117.05757	1.4
117.06989	0.4
118.06549	13.2
119.04958	2.8
119.07359	1.2
119.08553	0.6
120.05264	0.4
120.08107	2.0
121.10165	0.3
123.04428	0.4
123.08079	0.3
127.03947	1.1
129.06996	0.3
130.06523	1.4
131.04898	0.4
131.07312	0.4
132.08089	1.9
133.08861	0.3
133.10030	0.3
134.09624	0.8
135.04411	1.2
135.11630	0.3
136.04703	0.2
136.06189	0.5
136.07484	0.3
137.05965	1.3
137.08354	0.3
137.09627	0.3
143.05597	0.9
144.08067	0.4
145.02841	3.0
145.04897	0.3
145.06462	0.3
145.10057	0.5
146.03162	0.6
146.09583	0.8
147.04420	7.2
147.05469	0.3
148.03615	0.3
148.04736	2.8
149.06013	0.5
150.09090	0.3
151.03882	0.3
151.07462	0.2
153.01775	0.6
157.06444	0.4
160.11140	0.5
161.09589	0.3
162.09146	15.4
163.03906	5.9
163.07535	0.3
163.09930	4.2
164.04262	2.3
164.10687	0.9
167.07074	1.2
171.02838	0.4
173.05904	0.3
173.11731	0.5
175.03935	1.0
175.07605	0.3
176.10757	1.6
177.05472	4.5
178.05801	0.7
185.05983	0.3
187.07448	0.5
190.12268	0.3
201.05490	0.6
202.15921	3.3
203.06995	0.4
207.06479	1.4
208.06909	0.3
214.17949	0.4
215.07063	0.3
218.15530	0.4
227.06964	0.3
229.04916	0.3
229.14323	0.6
230.15411	29.6
231.06538	1.5
231.15819	0.4
232.06946	0.5
246.18602	0.4
247.05893	1.0
248.06442	0.6
248.16464	1.7
262.17981	2.1
271.06036	1.5
272.06375	0.7
273.07529	0.3
274.15268	0.2
274.17981	1.4
287.05518	4.0
288.05841	1.7
289.06531	0.3
292.19083	68.7
293.19400	0.9
302.21182	0.3
304.19022	1.8
318.20947	0.3
322.20212	0.6
332.22275	0.9
339.10852	0.5
348.21771	2.4
375.09540	0.3
412.09836	0.3
476.29993	0.3
510.27036	7.8
520.32788	5.0
682.37982	100.0
683.38586	2.4
699.03839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78569	0.5
55.05497	1.6
57.03437	0.7
67.05505	2.7
69.07056	2.0
71.60415	0.6
79.05503	2.8
81.07058	2.8
83.08633	0.9
85.49597	0.5
91.05485	1.8
93.07039	3.6
95.04975	0.9
95.08606	1.8
97.10172	0.6
105.07013	2.1
106.45490	0.5
107.08607	1.5
109.10158	1.3
117.07010	0.6
119.08593	0.8
121.10145	0.9
123.11717	0.5
129.07004	0.6
131.08560	0.7
132.63521	0.5
133.10136	1.7
135.53362	0.5
143.94035	0.6
144.12834	0.5
147.11696	1.2
195.14261	0.5
227.20026	0.9
227.39655	0.5
287.05579	1.0
299.20059	0.6
317.20819	0.9
331.18845	6.1
373.23459	2.8
387.21500	3.3
459.23630	0.6
611.34839	0.6
681.43353	100.0
682.43536	2.4
693.77582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
54.06303	0.4
55.01870	0.6
55.05501	1.6
56.96547	0.4
57.03421	1.3
59.24853	0.3
61.02926	4.5
61.15230	0.4
65.03909	0.4
67.05500	5.0
68.52134	0.4
69.03434	2.3
69.07071	2.0
69.54036	2.6
69.54452	0.6
70.06602	0.5
71.04992	0.9
73.02928	3.2
79.05508	2.9
81.03409	3.2
81.07053	5.7
83.04990	1.1
83.08616	1.2
85.02908	4.8
85.06547	0.7
91.03966	2.6
91.05479	2.8
93.07044	4.7
95.04984	1.8
95.08596	2.1
97.02906	3.8
97.06516	1.4
97.10147	0.5
98.21525	0.5
99.04486	0.7
101.02399	1.1
103.36421	0.4
105.07035	2.7
107.08612	2.5
109.02895	1.1
109.06554	1.0
109.10175	2.2
111.08072	0.5
117.07010	0.7
119.08575	1.5
121.06506	0.6
121.10165	1.6
123.08127	0.5
125.09659	0.5
127.03937	1.4
129.06995	0.8
131.08644	1.4
133.10146	1.6
135.08090	0.6
135.11700	0.9
137.09570	0.6
145.10126	0.8
147.11732	1.1
149.09718	0.6
149.13258	1.9
157.10133	0.9
159.11720	1.2
162.07722	0.5
165.12970	0.5
167.07124	0.5
173.09737	0.4
175.14783	0.5
177.12755	0.5
185.04243	0.5
193.12335	0.5
195.13814	0.8
207.06642	0.8
222.54062	0.4
235.13158	0.6
243.08470	1.8
249.54588	0.4
251.12654	0.7
251.87985	0.4
269.12534	0.9
269.17471	0.5
287.05508	2.5
289.07068	0.4
291.15817	0.5
453.20914	8.2
469.20490	4.6
681.34583	100.0
682.35291	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	681.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07772	0.7
53.03941	1.8
55.01867	1.7
55.05505	1.9
56.05002	1.0
57.03426	0.9
65.03950	1.5
67.05490	3.8
67.22305	0.9
68.99780	1.5
69.03444	4.3
69.07053	2.4
69.33022	1.0
71.05000	1.0
71.61219	1.2
72.08154	1.3
79.02852	0.8
79.05470	3.7
79.48885	0.9
80.05011	1.0
81.03398	3.4
81.07043	3.2
83.04961	1.4
83.08601	1.1
85.02886	3.6
89.03886	1.3
91.05476	14.5
93.07046	10.4
94.06549	3.4
95.04958	5.7
95.08593	2.4
96.04478	0.9
97.02895	2.6
97.06514	1.1
99.04446	1.2
103.05447	1.8
105.07047	4.4
106.06530	1.4
107.04980	1.6
107.07326	1.2
107.08591	2.9
108.08099	1.7
109.02864	2.8
109.06557	2.1
109.10132	1.4
110.06039	2.4
111.08083	5.8
115.05463	0.8
117.03367	2.3
117.06997	2.5
118.06480	1.2
119.04942	7.2
119.08580	1.5
120.04439	1.8
120.08115	1.7
121.02863	0.9
121.06526	4.6
121.10125	1.7
122.06036	4.9
123.04434	2.0
124.03941	1.0
124.07600	1.9
127.03913	4.5
131.04909	1.7
132.08060	1.8
133.10187	1.4
133.76862	0.8
134.06017	2.9
134.09651	6.9
135.04417	1.1
135.08011	3.6
135.11577	0.9
136.07588	8.4
137.05980	13.7
138.05505	1.6
138.09137	1.4
139.07542	1.5
140.03415	3.9
140.07054	2.7
143.05640	3.6
144.08096	1.2
145.02826	7.3
145.10164	1.3
147.04411	7.5
147.07971	1.2
148.03903	1.9
148.07523	1.6
149.05943	1.4
149.09689	1.1
150.09116	1.2
151.03880	2.8
152.07031	2.5
152.10698	5.1
153.01839	1.5
154.04973	3.6
154.08629	2.7
159.11678	1.2
160.07544	1.9
161.05977	1.3
162.05476	3.0
162.09142	39.6
163.03926	1.7
163.07556	3.1
164.03400	1.8
164.07039	1.0
166.04993	1.9
167.07048	3.4
175.03925	9.4
175.07495	1.4
177.05449	15.6
179.07199	0.9
180.06679	1.0
180.08575	1.8
180.10191	33.4
181.04936	2.0
186.05479	1.0
187.07529	1.0
190.04944	1.4
190.08636	6.0
197.06993	1.1
197.10828	1.0
198.09280	1.1
199.08676	2.0
201.10133	1.1
204.10254	1.0
207.04791	1.6
207.06543	17.2
208.09686	84.1
210.09187	1.0
213.10245	4.2
215.11758	4.6
222.07574	1.0
225.10262	2.4
226.08717	1.1
227.08151	2.1
227.11769	1.7
231.11241	1.4
232.09644	1.1
237.10187	3.5
238.08682	1.3
239.08098	1.6
239.11742	2.1
241.09737	1.7
243.11290	18.9
251.08058	0.9
253.09549	2.7
255.07814	0.9
255.11223	3.3
257.08951	1.4
257.12842	2.2
259.10730	1.9
265.09567	3.6
267.11307	6.0
269.09290	1.4
271.06049	3.9
273.09293	0.9
273.12283	4.6
274.13211	1.7
277.09735	1.1
281.09195	2.1
283.06073	1.3
283.10675	4.5
284.09174	2.1
285.12341	27.3
287.05484	13.5
287.10355	2.6
288.05768	1.4
289.06204	1.7
289.11884	1.1
293.09152	6.7
293.11993	1.1
297.11984	1.4
301.12006	3.5
302.12698	3.3
303.13388	24.0
305.12006	1.0
306.12570	1.3
311.10223	9.7
312.08383	6.6
313.07007	1.2
316.11444	1.5
317.11789	1.2
318.12393	1.4
325.11609	3.0
329.11288	5.5
330.09479	6.3
330.12982	1.2
334.11850	1.8
335.12524	1.5
336.13419	3.4
337.11707	1.6
338.14752	1.0
339.10608	2.8
343.13004	2.0
343.22241	1.2
344.10950	4.8
346.11469	1.3
347.12387	10.6
349.14487	1.1
360.13385	1.8
361.14166	8.0
362.15012	1.5
363.12180	1.2
364.12921	1.3
372.13593	1.1
374.15051	1.2
376.12842	3.1
378.14435	3.1
388.12723	2.0
402.14536	1.7
404.12317	4.0
405.13223	1.9
406.13956	7.8
414.14560	1.3
416.12265	1.0
422.13464	2.9
424.15009	7.8
430.14090	2.7
432.15253	2.7
450.16492	1.1
454.15909	1.6
455.11856	3.6
456.17432	3.9
458.13916	2.2
462.17081	1.1
472.14987	2.1
474.17365	2.0
476.14307	1.8
490.16135	2.4
492.17963	1.7
522.18091	1.3
524.19708	1.0
525.18817	1.0
540.19666	8.6
571.22333	0.9
585.22839	1.1
587.24304	1.3
595.21729	5.2
596.20325	1.6
603.24304	1.5
613.22949	15.5
614.21576	2.0
618.22748	1.1
627.23975	2.0
631.23969	100.0
632.24030	3.6
645.25708	4.2
649.24677	4.7
650.25122	1.3
663.26605	55.0
664.24738	1.3
681.27362	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	681.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05497	0.7
57.03436	0.3
65.03943	0.5
67.01841	0.5
67.05492	0.8
68.05030	0.6
68.88461	0.3
68.99763	0.3
69.03415	1.4
69.07055	0.9
70.06577	0.4
71.05002	2.6
71.60345	0.4
71.60777	0.3
73.73110	0.3
79.05514	0.4
81.03423	0.4
81.07070	0.4
82.06583	0.4
83.04979	0.7
84.08143	0.4
85.02906	3.7
87.06702	0.5
89.03921	0.6
91.05470	1.1
93.07026	0.8
94.06583	2.3
95.04974	0.8
96.04472	0.6
97.02899	0.7
97.06535	0.7
99.04462	0.4
105.07008	0.6
108.04464	0.3
109.02863	0.5
110.06026	1.4
111.04403	0.4
111.08083	0.3
114.66489	0.3
117.03353	0.7
118.06529	0.7
118.60767	0.4
119.04920	0.7
119.08617	0.4
120.08057	0.3
121.02830	0.4
122.06031	6.2
123.04413	0.5
124.07612	0.5
127.03872	0.9
129.05476	0.9
129.06963	0.4
134.03525	0.4
135.04399	1.3
136.07564	1.2
137.02356	0.6
137.05989	1.2
138.05502	0.6
138.09100	0.5
139.03990	0.3
140.07074	6.7
143.05655	6.5
144.04431	0.8
144.06047	0.6
144.08105	0.4
145.02837	0.8
145.04976	0.5
146.05997	4.0
146.09605	1.3
148.11198	0.6
149.06009	0.4
149.07127	0.4
150.05490	1.7
151.03888	0.4
152.07056	1.7
153.01849	4.8
158.09674	0.5
160.07565	1.5
162.05482	0.7
162.09160	1.9
163.03879	0.4
164.07008	0.8
167.07014	1.1
170.09689	0.5
171.02895	0.9
172.03935	5.8
172.07611	0.7
174.05498	2.5
174.09174	0.7
175.08710	0.6
175.12276	0.6
176.06982	0.4
177.05502	2.1
178.08684	0.6
180.10176	1.2
181.04941	0.4
185.08380	0.4
186.09149	3.5
187.08720	0.9
188.09442	0.7
190.08682	0.5
192.06520	0.4
196.07527	0.6
198.09200	0.6
200.10713	1.0
201.10159	0.8
201.64391	0.3
202.08765	0.6
202.11011	2.1
203.11807	4.5
204.06563	10.0
204.08490	0.6
205.03555	1.0
206.08133	3.7
206.11716	0.7
207.06503	0.8
208.09682	2.7
213.10251	1.3
214.08653	7.3
215.08154	4.1
217.09735	1.0
224.12720	0.7
225.10074	0.4
227.08015	0.5
227.11829	1.0
228.10217	2.7
229.09720	1.6
230.08246	0.4
230.10507	1.2
231.11299	3.6
238.08278	0.3
239.11763	0.6
240.08946	0.4
241.04999	0.6
241.09651	2.2
242.08261	1.8
243.11327	0.5
245.09229	0.9
245.12921	0.7
247.10789	1.1
249.06177	0.7
249.11052	0.5
255.11263	3.7
256.09802	2.5
257.09262	0.8
257.12799	0.9
258.10016	0.4
259.10791	59.1
267.11502	0.6
271.06049	2.4
271.10706	0.6
273.12320	5.4
283.06128	0.4
283.10727	2.8
285.12384	0.8
286.04730	0.4
287.05505	100.0
288.05795	4.0
289.11920	0.6
301.11835	48.3
302.12354	0.5
303.13333	0.4
313.11783	5.0
317.11404	0.4
319.12891	78.7
320.13174	0.5
325.17615	0.8
331.12921	1.4
335.12320	1.7
336.13205	0.5
337.13947	20.3
339.10599	0.4
341.11487	0.5
345.14450	3.0
347.16052	0.9
373.13882	2.5
424.14493	0.4
442.16083	0.9
474.18741	5.5
492.18231	0.3
519.23627	0.6
535.10773	3.1
621.18262	1.1
631.23621	0.5
649.24585	0.9
663.26587	1.2
681.18561	0.4
681.29163	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	681.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
54.45551	0.6
55.05510	1.0
57.51891	0.5
67.05492	0.9
69.03403	1.2
69.07066	1.0
70.06591	1.1
70.94618	1.4
73.72523	0.7
79.05486	0.8
83.04985	0.9
84.04488	0.7
84.08152	0.9
85.02907	1.3
88.07068	0.8
89.99469	0.7
91.05466	1.3
93.07018	0.8
94.06582	3.8
95.04945	1.8
97.02918	0.8
97.06516	1.5
98.06027	0.7
108.04504	1.3
108.08150	0.6
109.02920	0.8
110.06052	1.4
121.10145	0.7
122.06037	10.3
123.04422	1.0
124.07571	0.9
127.03939	1.0
131.08595	0.8
133.06598	0.6
134.09630	0.9
136.07539	1.5
137.05968	1.6
138.05400	0.8
140.07066	11.5
143.05666	8.8
144.04463	1.3
145.02774	0.9
146.06020	6.5
147.04388	1.2
150.05525	1.6
151.03915	1.3
152.07117	1.7
154.08595	0.8
158.05945	0.7
158.09695	0.7
160.07576	1.9
162.05499	1.7
162.09134	4.6
163.03967	0.8
164.07104	1.4
167.06979	1.2
170.09628	1.1
172.03951	10.1
172.07567	1.1
172.11214	0.7
174.05466	4.3
175.08661	0.8
177.05484	1.9
180.10190	2.4
181.04904	0.7
183.59668	0.6
184.07594	0.7
186.09174	4.9
187.08659	1.5
188.06947	0.7
188.09525	0.9
189.08017	0.7
191.05743	1.5
196.07701	0.7
198.09161	1.7
200.07040	0.7
200.10703	2.0
201.10146	1.3
202.08788	1.0
202.10974	2.9
203.11766	5.4
204.06560	16.4
206.08148	5.6
207.06517	1.0
208.09715	6.4
213.10147	2.5
214.08646	8.8
215.08202	5.1
217.09740	1.0
227.11792	1.5
228.10179	4.2
229.09682	3.9
230.10469	2.1
231.11359	4.5
239.11896	0.8
241.09737	3.3
242.08084	2.1
243.11327	3.1
245.09164	1.9
247.10680	1.7
253.09572	0.7
255.11287	5.8
256.09698	2.5
257.09198	0.9
257.12906	1.3
258.09900	1.1
259.10788	81.6
269.09039	0.8
271.06146	0.8
271.10861	3.0
273.12299	6.8
283.06015	0.7
283.10617	4.1
285.12277	1.0
287.05487	2.7
287.10281	2.9
299.10300	0.8
301.11832	62.3
302.11929	0.7
313.08014	0.9
313.11798	6.5
317.11243	1.0
319.12881	100.0
320.13373	1.8
321.09091	0.7
331.12863	2.7
335.12286	3.2
337.13940	21.1
345.14572	5.2
347.15988	1.0
357.18686	0.8
365.10458	0.8
373.13882	2.3
377.02246	0.7
428.15689	0.8
442.16214	1.6
446.17578	0.8
474.18753	6.2
505.18320	2.0
508.17218	1.1
510.18362	1.3
519.24097	5.2
523.19556	1.3
524.20453	1.3
613.22809	1.1
621.27032	0.7
631.24390	1.3
645.26056	0.7
649.25159	0.9
663.17938	0.7
663.26758	8.0
681.29364	20.1
710.08972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.1
54.32483	0.1
55.05505	0.1
57.03431	0.2
67.01861	0.5
67.05515	0.1
68.99786	0.4
69.03412	0.2
69.07062	0.1
70.95892	0.1
70.96214	0.2
71.04998	1.0
73.85175	0.1
75.04478	0.1
79.05467	0.1
81.03404	0.2
82.64525	0.1
83.04987	0.1
85.02428	0.1
85.02905	1.8
86.09714	0.1
89.03911	0.2
91.05456	0.1
93.07035	0.2
94.06586	0.1
95.04977	0.1
97.02899	0.4
99.04437	0.1
103.05463	0.1
107.04925	0.2
108.90915	0.1
110.06073	0.1
111.04424	0.1
117.03352	0.2
127.03922	0.2
129.01836	0.1
129.05467	0.3
134.09610	0.1
135.04417	1.6
136.07559	0.1
137.02380	0.5
137.06068	0.1
140.07011	0.1
143.05649	1.4
145.02843	0.1
146.06050	0.1
146.09686	0.2
147.06538	0.1
151.03952	0.1
152.07047	0.1
153.01830	4.1
161.02309	0.6
162.09137	0.4
163.07504	0.1
167.07060	0.1
171.02896	0.8
172.03860	0.1
175.03894	0.1
177.05431	0.4
179.03418	0.2
179.06834	0.1
180.10193	0.3
181.04842	0.1
201.05502	0.1
203.03343	0.1
204.67809	0.1
205.03593	0.2
206.08098	0.1
207.06561	0.1
208.09682	0.6
213.10173	0.1
219.06500	0.1
241.04979	0.5
245.04478	0.2
249.06355	0.2
249.11249	0.1
259.06094	0.1
259.10849	0.4
263.05521	0.1
269.04449	0.4
271.06042	0.2
286.04541	0.1
287.05496	100.0
288.05786	1.5
299.05441	0.1
301.11877	0.3
319.12799	0.4
329.06619	0.1
335.12451	0.1
373.13089	0.2
442.15933	0.3
474.18668	1.4
492.17581	0.2
535.10779	0.3
649.24854	0.1
663.25891	0.1
681.17395	0.1
681.27759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1662
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
52.28687	0.3
53.03944	0.7
55.01884	0.7
55.05516	0.7
57.03446	1.4
65.03949	0.3
67.05508	0.4
69.03436	3.0
69.07059	0.4
70.06599	0.4
71.04992	3.0
71.60535	0.3
71.60947	0.4
72.08155	0.3
73.02885	0.3
79.05495	0.6
80.46278	0.2
81.03428	1.7
81.07069	0.3
82.06616	0.3
83.04989	1.3
85.02902	5.9
87.00839	0.6
87.04456	0.7
91.05476	1.6
93.07042	0.7
95.04959	0.4
95.08601	0.6
97.02880	1.9
99.04451	0.7
100.11243	1.5
105.01882	0.9
105.07072	0.7
107.04963	0.5
107.08646	0.4
108.12973	0.3
109.02892	2.1
111.04448	0.7
113.57835	0.3
115.03941	0.9
116.83647	0.3
117.03362	0.4
119.04928	2.5
119.08590	0.5
121.02866	1.1
121.06518	0.4
121.10143	0.4
122.06004	0.6
123.00791	0.9
123.04409	0.6
127.03911	2.9
129.01875	0.4
129.05458	0.5
131.04962	0.5
135.04462	0.5
135.08089	0.4
136.07588	0.4
137.02328	0.3
137.05995	1.4
138.39096	0.3
140.07077	0.6
141.01947	0.3
143.05661	1.5
145.02859	1.2
145.04955	0.5
146.06070	0.4
146.09517	0.4
147.04468	0.8
148.07520	0.4
149.05930	0.3
151.03891	1.1
152.07086	0.4
153.01797	2.4
154.04884	0.4
157.06380	0.4
159.02885	0.6
162.09113	0.9
163.07634	0.4
164.10756	0.4
165.01920	0.3
167.07076	1.2
169.01306	1.3
171.02942	0.8
172.03928	0.4
175.03978	0.7
175.07579	0.3
177.05464	2.6
181.04988	0.5
182.15475	0.5
192.10095	0.7
193.04987	1.0
201.05455	0.4
203.11856	0.4
204.06589	0.7
207.06508	1.3
208.09653	0.8
210.14845	0.4
213.05594	0.4
227.11635	0.4
229.05112	0.5
241.04938	0.4
241.09723	0.5
243.11496	0.5
245.04466	0.4
255.11192	0.5
257.04541	0.6
258.02490	0.7
258.05234	13.7
259.06024	0.6
259.10788	2.6
269.04477	0.8
270.05151	0.4
271.06021	9.1
273.12000	0.4
285.12366	0.4
286.04718	32.3
287.05496	80.4
288.05844	1.3
301.07065	100.0
302.07446	1.4
303.13309	0.6
311.10602	0.3
313.11716	0.9
319.12903	3.5
337.14105	0.6
339.10712	0.5
343.08301	0.3
345.14365	0.6
355.12988	0.5
371.12811	0.3
373.14059	0.6
383.12079	0.4
401.16501	0.3
442.16135	0.4
463.12231	0.6
474.18762	2.1
492.17673	0.5
524.20105	0.8
535.10669	0.8
540.19269	0.4
549.12823	1.7
595.17230	0.5
613.23004	0.7
631.23718	0.9
649.24884	0.4
662.48706	0.4
663.26740	0.9
680.51215	2.6
681.16180	1.4
681.27570	1.2
681.51154	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.9
55.05739	3.8
57.03432	7.1
61.02641	2.8
61.02925	29.1
65.03942	2.9
67.05500	69.5
69.03419	6.3
69.07067	15.4
69.32683	10.0
69.33110	15.8
71.04986	5.3
71.59472	2.9
73.02896	12.1
79.05497	45.1
81.03426	3.9
81.07056	82.9
83.05000	3.0
83.08620	9.3
85.02408	4.6
85.02898	42.6
88.53935	2.9
91.03958	26.8
91.05464	26.9
93.07044	69.0
95.04966	10.2
95.08602	74.2
97.02882	15.4
97.06510	4.6
97.10176	5.1
99.08077	3.9
105.07024	23.2
107.08603	49.4
109.06502	5.7
109.10154	49.5
111.08092	3.3
117.06996	15.9
119.08585	21.2
121.10138	39.7
122.15084	2.6
123.11684	11.0
125.09551	2.8
126.94094	2.4
127.03912	8.6
130.62444	2.6
131.08563	28.2
133.10110	21.1
135.11694	37.0
136.25148	2.4
137.09612	3.6
137.13268	5.9
145.04941	11.9
145.10115	21.9
147.11691	17.3
149.09534	3.0
149.13243	22.6
159.11705	24.9
161.13271	7.1
163.06027	17.0
163.14819	6.4
173.13223	14.5
184.12364	3.0
187.14767	4.8
198.17862	2.8
201.16370	5.2
219.21141	3.8
229.19489	47.6
247.20557	100.0
265.21469	3.4
278.85837	2.9
287.05609	12.9
321.24301	36.2
339.25305	43.2
398.39481	3.7
483.29782	3.2
570.88306	3.2
680.33691	4.6
681.34662	4.2
701.99902	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	681.1663
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03937	0.1
55.01861	0.1
55.05482	0.1
57.00186	0.0
57.03434	0.3
67.01866	0.4
67.51643	0.0
68.19524	0.0
68.50068	0.0
68.99795	0.4
69.03428	0.4
70.16528	0.2
71.01347	0.1
71.04995	1.6
72.71645	0.0
73.02932	0.1
75.04462	0.1
79.05466	0.1
81.03412	0.4
83.04989	0.3
85.02906	3.0
87.00811	0.3
87.04452	0.1
88.66310	0.0
89.03933	0.2
91.05468	0.1
95.04959	0.1
97.02888	0.3
98.20864	0.1
99.04441	0.1
103.03948	0.1
103.79101	0.0
105.01866	0.3
107.04948	0.1
109.02873	0.5
109.10230	0.0
111.00823	0.1
111.04448	0.4
117.03381	0.2
117.07048	0.1
119.04962	0.0
125.02366	0.1
127.03918	0.8
129.01834	0.2
129.05489	0.7
131.04875	0.0
134.09688	0.1
135.04424	1.6
137.02330	0.6
140.07021	0.0
143.05649	1.2
143.24681	0.0
145.02776	0.1
145.04974	0.2
147.02885	0.1
147.04311	0.1
147.06537	0.2
151.03886	0.1
153.01826	4.3
159.02899	0.1
161.02339	0.7
162.09190	0.1
163.06029	0.1
171.02905	0.7
171.04324	0.1
171.06509	0.1
173.04536	0.1
175.86372	0.1
177.05464	0.1
179.03435	0.3
179.51166	0.0
180.10190	0.1
185.05885	0.1
187.05968	0.1
189.03937	0.2
189.05457	0.1
199.03886	0.1
201.05542	0.1
203.03372	0.2
208.09605	0.3
213.03903	0.1
213.05537	0.1
217.04877	0.1
218.05907	0.1
219.06509	0.1
227.03522	0.1
231.04820	0.2
237.07617	0.1
241.04930	0.5
245.04381	0.1
249.06113	0.1
255.08659	0.1
259.06125	0.1
259.10730	0.1
263.05499	0.1
269.04416	0.5
271.06018	0.1
285.12466	0.1
286.04651	0.1
287.05493	100.0
288.05817	1.9
299.05582	0.1
301.07178	0.1
301.11688	0.1
319.12921	0.1
329.06598	0.2
359.09726	0.1
395.07208	0.1
433.11459	0.1
442.16281	0.1
449.10590	0.2
474.18655	0.3
491.11670	0.1
517.10077	0.1
535.10614	0.7
595.16516	0.3
608.51654	0.1
631.23694	0.1
663.26105	0.1
681.16553	1.0
681.27386	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	679.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.05512	1.9
56.96579	1.0
57.03432	1.6
60.43358	0.9
61.02928	1.0
61.40519	1.0
65.03941	3.8
67.01873	1.7
67.05505	7.8
69.03423	5.0
69.07066	2.0
69.46563	1.8
69.46896	9.2
70.06592	1.0
71.05006	1.2
73.02940	1.4
74.79907	1.1
79.05491	3.5
80.05013	3.2
81.03406	5.2
81.07048	4.2
81.69852	0.9
83.04988	1.2
84.08140	1.5
85.02898	3.5
86.09694	1.5
89.03917	2.2
89.06022	1.1
91.05487	5.0
92.04967	1.0
93.07043	4.2
94.06573	5.1
95.04958	4.6
95.08595	2.8
97.02888	3.2
97.06559	1.5
99.04443	1.4
103.05457	1.1
105.07025	3.9
107.04956	1.2
107.08606	2.9
108.04498	5.8
108.08179	1.7
109.02878	4.1
109.06502	2.3
109.10170	2.9
110.06025	1.1
111.04431	1.6
114.38155	0.9
117.03365	3.7
119.08561	2.6
120.08121	1.4
121.10153	2.3
122.06042	11.9
123.04423	2.0
123.08055	1.5
124.07602	1.6
125.06088	1.0
127.03926	3.2
128.06223	1.3
129.06993	1.3
130.06534	1.1
131.04953	1.6
131.08580	1.4
132.08095	3.2
133.06447	1.3
133.10077	1.9
134.05984	1.1
135.04465	1.8
135.08032	1.3
136.03972	2.2
136.07568	3.2
137.05983	13.6
138.05498	11.6
140.07033	3.1
143.05653	8.7
143.08559	1.2
144.08052	2.6
145.02847	10.0
145.05005	1.1
145.06436	1.4
146.03204	1.3
146.06033	1.4
147.04401	5.2
147.08058	1.3
147.11703	1.9
148.32861	1.0
149.05980	1.6
149.09608	1.1
150.09102	1.1
151.03987	1.8
151.07544	1.8
152.07048	1.3
153.01767	2.0
153.05486	1.2
154.04994	100.0
154.08559	2.2
158.05992	16.0
159.07988	1.3
160.07590	16.2
161.06010	2.8
162.09151	6.0
163.03909	1.5
163.07568	2.7
166.08609	1.8
167.07042	3.4
172.07578	2.7
174.09192	3.7
175.03918	4.1
175.07564	4.4
176.06902	1.4
177.05455	23.6
178.05783	1.9
178.08621	2.9
180.10204	3.1
187.07430	1.8
187.11143	1.1
190.04973	2.5
190.08644	3.4
191.07076	2.0
192.10210	2.1
200.07057	3.6
201.05400	2.0
202.08656	4.7
204.06451	1.5
204.10246	1.6
207.06578	7.5
207.11343	2.9
208.09714	6.5
215.04486	1.6
218.08124	59.0
219.08862	2.7
220.09680	2.5
222.09314	1.2
222.11279	2.9
229.09778	1.7
230.08102	3.8
237.10225	1.7
239.11871	1.6
241.04863	1.4
244.05937	2.1
246.07617	6.4
247.10841	2.2
250.10771	45.1
251.08331	1.7
251.11446	1.2
253.13339	1.6
254.10501	1.4
257.09305	2.2
258.07581	1.5
263.07935	6.3
263.11874	1.3
264.08627	8.7
265.09732	7.6
267.11346	3.0
269.13037	2.1
271.06015	3.2
273.12213	1.6
275.10333	4.4
276.08487	1.9
278.06638	1.3
278.09857	1.2
279.07880	1.3
279.11160	2.2
281.09192	2.7
281.12839	2.6
283.10870	1.6
285.08878	1.3
286.09525	1.6
287.05481	26.2
287.13943	3.1
288.05688	2.3
289.11938	2.0
291.10233	1.8
293.09000	17.3
294.10022	2.0
295.10947	2.5
297.12204	1.9
299.10663	1.0
299.13876	4.7
301.11697	1.4
305.08163	2.0
307.10168	2.2
309.12402	1.5
311.09946	1.6
313.15448	2.6
316.10654	1.6
317.11316	9.6
323.13727	4.3
325.11600	6.4
327.09631	1.3
333.14386	1.8
335.10294	2.0
337.07935	1.3
337.11755	9.9
338.08936	10.4
341.14920	13.6
353.11310	59.3
354.11929	8.4
355.12784	26.5
355.16693	6.3
357.10956	2.3
367.12546	3.2
369.14771	6.2
371.12183	4.4
373.17746	7.0
385.13950	44.7
386.14462	1.7
456.21255	1.8
458.16870	2.4
464.17984	1.8
474.16507	1.6
476.18195	69.9
477.18625	3.3
492.17435	4.2
493.18604	3.7
494.19333	12.8
508.20950	17.2
524.20306	25.7
525.21198	2.3
538.21643	2.1
542.21179	1.5
542.80255	1.2
556.22888	17.1
557.23157	1.5
597.23450	2.7
615.15350	1.4
615.24512	22.6
616.24670	2.4
647.27875	5.3
679.23663	1.3
679.34625	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04863	0.8
69.03412	0.5
69.60351	1.2
69.60667	0.2
79.07314	0.1
81.03426	0.2
85.02914	0.2
85.05132	0.5
86.05894	0.2
87.06707	3.3
89.03906	0.2
91.05482	0.5
93.41121	0.2
94.22353	0.2
97.02875	0.2
99.04484	0.2
109.02880	0.2
109.47157	0.2
113.04652	0.9
114.05389	0.2
117.03353	0.5
119.04959	0.3
121.06482	0.2
125.04564	0.3
127.03896	0.2
133.02872	0.3
137.05971	2.7
141.04086	2.1
142.04861	25.8
143.05638	100.0
144.04066	0.4
144.06039	0.2
145.02840	0.9
147.04398	0.3
149.06003	0.4
151.07559	0.2
158.06029	0.2
161.05949	1.0
163.07564	0.2
167.05650	0.3
175.07532	0.3
177.05458	1.6
179.07092	1.1
203.07022	1.1
207.06567	0.2
258.34366	0.2
287.05695	0.2
287.09735	0.2
291.11118	0.3
303.10931	0.3
305.10822	0.3
327.12109	0.2
333.72372	0.2
372.62775	0.2
465.16068	1.7
631.22424	7.5
643.22546	0.2
661.23157	0.3
679.22528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01881	0.7
55.05520	0.6
56.80009	0.3
56.96562	0.4
57.03449	0.4
61.02922	0.5
63.02377	0.4
65.03936	0.3
67.01862	0.3
67.05506	1.1
68.99789	0.3
69.03431	11.4
69.07061	0.5
70.06592	0.6
71.01358	0.3
71.05000	0.9
78.04710	0.3
79.05494	1.0
81.03412	2.4
81.07067	2.0
83.05003	0.5
85.02906	3.3
89.03909	5.6
89.97425	0.3
91.05485	3.9
93.07049	1.7
94.04177	0.8
95.04971	1.1
95.08615	1.2
97.02882	2.9
99.04449	0.7
100.11235	0.6
103.05462	1.8
105.07046	1.9
107.04956	1.0
107.08591	0.6
109.02879	3.1
109.06522	0.9
109.10151	0.5
111.04428	0.6
115.05463	0.9
117.03377	13.9
117.07047	0.5
119.04954	1.2
119.08581	1.3
120.08105	0.4
121.06474	0.5
121.10128	0.4
122.03663	2.1
122.06049	0.4
123.04408	0.5
124.07617	0.5
124.74962	0.3
125.09618	0.3
127.03915	7.2
128.06245	0.7
129.01820	0.4
129.07034	1.0
131.04927	2.6
131.08562	0.3
132.05734	0.5
133.06490	0.6
133.10118	0.8
134.03629	1.3
135.04433	2.2
136.07542	0.4
137.02374	0.7
137.05978	26.6
141.01805	0.3
141.06956	0.5
143.05740	1.6
145.02843	47.9
145.10170	0.4
146.03271	1.2
147.04449	2.0
147.08054	0.7
147.11716	0.7
149.05980	7.3
151.03909	0.9
151.07552	1.0
153.01862	1.9
153.05493	0.7
154.04968	0.3
155.04933	0.5
156.05710	0.4
157.06522	0.5
158.06007	0.4
159.08080	0.6
160.05154	0.6
161.05980	4.4
163.03915	1.3
163.07521	2.9
165.01978	0.5
166.08687	0.4
167.07034	1.9
169.06522	0.6
171.07953	0.4
173.05977	0.6
173.13199	0.3
175.03944	1.3
175.07536	9.2
177.05467	100.0
178.05850	1.8
179.03433	0.5
179.07138	0.5
181.04962	0.5
183.02869	0.7
184.05203	0.7
185.05913	0.7
186.05508	1.3
187.07570	2.1
189.05431	1.2
191.08568	0.8
195.06453	1.7
199.07527	3.9
201.05482	2.0
202.07799	0.9
203.08533	2.1
204.06596	0.3
205.06601	0.6
205.08572	0.4
207.06519	3.3
208.09824	0.6
213.05522	0.5
215.06960	0.6
219.08124	1.2
220.08922	0.4
231.08183	2.5
232.08775	0.6
233.08134	0.7
234.06747	0.7
235.07544	0.4
235.11217	0.3
237.09311	0.4
241.04919	0.6
247.07552	0.9
248.08307	1.3
249.09109	0.7
251.10497	0.6
253.05057	0.4
256.48209	0.3
259.07550	2.0
260.08340	0.7
261.07483	0.5
262.06253	0.7
263.06958	0.4
263.10681	1.0
265.08481	0.5
267.10712	0.3
271.06064	2.9
276.07822	0.9
277.08591	2.0
279.10184	0.9
287.05487	26.6
288.05832	1.7
290.05762	1.0
291.10187	4.8
292.11020	1.0
293.08121	0.6
295.13235	0.7
299.05499	13.4
303.05029	3.4
305.08057	2.1
307.09708	1.2
308.10776	0.6
309.11499	0.6
311.12781	2.2
313.11691	0.5
315.09714	0.3
315.13281	0.4
317.11060	1.4
321.09680	3.9
323.12747	4.8
325.10687	2.3
325.14426	0.8
333.14481	0.6
337.10672	4.3
339.10724	5.3
341.14093	0.4
349.13919	0.7
355.11765	4.7
424.87476	0.4
431.13315	0.4
443.14407	0.3
487.15829	0.9
499.17044	0.4
517.16919	1.1
520.20465	0.5
524.20148	0.7
538.21960	2.2
556.22815	1.4
641.42017	0.3
679.23578	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45255	4.7
56.29047	4.7
71.60352	8.8
75.22278	5.6
77.67049	4.5
153.58150	5.0
221.16473	5.2
431.18658	12.8
444.19745	6.7
447.18042	7.3
459.22015	43.6
460.22479	9.8
461.19199	6.7
475.21265	23.0
533.21399	8.7
535.24188	9.2
547.26404	18.1
561.24664	15.7
563.26508	6.6
589.24152	6.7
590.25928	6.8
593.23663	24.7
606.28394	100.0
607.25476	5.5
621.27203	41.9
622.27917	65.1
638.27191	7.9
645.29492	15.6
678.29553	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01868	0.5
55.05499	0.6
56.96586	0.4
57.03439	0.4
61.02924	0.6
63.02373	0.5
65.03953	0.6
67.05499	1.4
68.99787	0.4
69.03430	11.4
69.07059	0.9
70.06575	0.7
71.01347	0.3
71.04978	0.8
71.58463	0.3
71.61121	0.5
73.02914	0.5
73.61016	0.3
79.05495	1.4
81.03419	2.3
81.07053	1.6
83.04990	0.6
83.08626	0.4
85.02919	3.2
86.09692	0.4
89.03920	4.8
91.05489	3.0
93.04565	0.3
93.07057	1.1
94.04198	0.6
95.04966	1.2
95.08610	1.1
97.02887	2.6
97.06520	0.4
99.04497	0.3
100.11255	0.3
103.05483	1.6
105.07034	2.0
107.04975	1.2
107.08602	0.9
107.42891	0.3
109.02862	2.7
109.06529	0.9
109.10150	0.7
111.04441	0.5
115.05466	1.1
117.03381	17.2
117.07049	0.6
119.04939	1.7
119.08582	1.1
121.02819	0.4
121.06483	0.6
121.10121	0.5
122.03674	1.9
123.04440	0.5
123.08034	0.6
124.07578	0.4
127.03076	0.6
127.03924	6.0
128.06218	0.8
129.07005	1.0
131.04915	2.4
131.08559	0.4
132.05682	0.6
133.06491	1.1
133.10143	0.8
134.03638	1.2
135.04430	1.9
136.07622	0.4
137.02350	0.9
137.05978	25.9
137.09570	0.5
141.01797	0.8
141.06995	0.6
143.05721	1.8
145.02844	44.3
145.10129	0.5
146.03299	0.7
147.04398	2.2
147.08031	1.1
147.11671	0.5
149.05981	6.0
149.09683	0.5
151.03922	0.8
151.07552	0.7
152.07048	0.4
153.01822	1.4
156.41173	0.3
157.06438	0.4
159.08098	0.6
159.11659	0.4
160.05197	0.6
161.02197	0.3
161.05997	4.0
161.13313	0.6
162.05501	0.4
162.09096	0.4
163.03923	1.0
163.07558	2.8
164.06982	0.5
165.01843	0.7
167.07037	1.8
171.08035	0.4
172.03920	0.4
173.05960	0.4
173.09621	0.4
175.03964	2.0
175.07542	8.7
177.05467	100.0
178.05826	1.7
183.02864	0.5
184.05186	0.6
184.07341	0.4
186.05496	1.3
187.07576	1.4
189.05452	0.9
191.07051	0.4
191.08626	0.7
195.06451	1.6
199.07581	3.2
201.05536	2.4
201.08987	0.5
202.07814	0.7
203.06969	0.5
203.08604	2.0
205.06580	0.6
207.06516	3.4
207.08191	0.6
208.09680	0.9
215.07030	0.4
218.07275	0.4
219.08069	1.0
220.08829	0.5
231.06184	0.6
231.08324	2.0
232.08949	0.7
233.05998	0.4
234.06769	0.9
235.07536	0.4
237.09050	0.4
247.07581	0.7
248.08281	1.4
249.09175	0.8
251.10661	1.0
253.09734	0.3
259.07532	1.6
259.10220	0.5
260.08218	0.9
261.07462	0.7
262.06247	0.9
263.07101	0.4
263.10773	1.1
264.07861	0.5
265.08487	0.7
271.05984	2.0
276.07809	0.9
277.08548	2.0
279.10242	1.0
287.05496	26.6
288.05789	1.1
289.11673	0.4
290.05722	1.1
291.10187	4.7
292.07483	0.3
292.10831	1.1
293.08093	1.0
295.13324	0.8
299.05496	15.0
303.04968	4.8
305.08139	2.5
307.09708	0.9
309.11389	0.6
311.12857	2.7
317.11166	1.0
319.09793	0.3
321.09592	4.3
323.09363	0.5
323.12805	4.9
325.10712	2.1
325.14127	0.5
329.06699	0.6
333.14377	1.1
337.10712	4.6
339.10657	5.5
349.14032	0.8
351.11395	0.4
355.11700	5.3
367.11716	0.7
395.07495	0.4
487.15668	1.2
517.17261	0.8
524.20111	1.3
538.21832	2.4
556.22681	1.0
679.24420	0.9
679.37201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01867	2.6
55.05512	13.0
57.03436	6.7
57.07072	5.8
61.02923	15.9
63.31345	1.3
65.03950	1.8
67.05502	78.9
69.03428	3.0
69.07066	13.1
71.04993	1.8
71.08627	1.9
72.17184	1.4
73.02906	7.0
75.04498	1.6
79.05492	41.3
81.03421	2.0
81.07056	82.3
83.08627	6.6
85.02908	20.2
85.06537	3.0
91.03962	15.0
91.05480	22.8
93.07042	57.0
95.04967	6.1
95.08604	71.0
97.02898	10.9
97.06536	5.4
97.10145	2.7
99.04475	1.3
99.08093	3.0
103.03914	1.5
105.07024	18.0
107.08593	35.2
109.06496	1.6
109.10154	35.8
111.08085	1.9
111.11758	1.4
117.07024	9.3
119.08589	14.8
121.10141	32.4
123.08119	1.7
123.11714	17.7
125.09632	1.4
127.03916	5.6
127.78851	1.2
131.08565	19.7
133.10120	13.6
135.07983	1.3
135.11687	27.4
136.59131	1.3
137.13257	9.2
143.08589	2.0
145.04958	8.4
145.10121	14.4
147.11682	11.5
149.09616	1.9
149.13249	20.8
151.11171	2.2
151.14871	2.0
159.11676	11.5
161.13257	9.7
163.06010	9.1
163.11154	2.5
163.14838	15.1
165.12781	1.7
167.14441	1.5
171.11604	1.8
173.13266	17.9
175.14819	4.2
177.16371	4.5
179.14409	2.5
187.14859	10.1
201.16396	4.2
215.17830	2.2
233.22650	2.8
243.21094	30.9
250.61304	1.3
261.22144	100.0
279.23206	6.2
306.54697	1.3
335.25790	33.0
353.26855	31.7
454.87527	1.4
461.28922	1.7
497.31198	4.4
509.82251	1.9
655.08472	1.4
677.35223	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	677.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
55.79699	0.2
57.07073	0.3
57.19386	0.2
58.66315	0.2
59.48178	0.2
67.05489	0.6
69.03400	0.2
69.07072	0.2
70.93137	0.5
70.93476	0.2
80.46551	0.2
81.07043	0.6
83.08615	0.3
91.05451	0.2
93.07076	0.2
93.75811	0.2
95.08619	0.3
111.08097	0.2
119.01917	0.3
120.71709	0.2
123.04472	0.2
133.03438	0.4
135.58458	0.2
156.05035	0.2
161.03050	0.2
173.02890	0.3
185.04205	0.8
187.04469	0.3
193.05054	0.3
203.05263	1.9
243.14046	0.2
256.26382	0.7
259.07877	1.3
305.08276	0.3
333.24872	0.8
347.09528	1.0
365.10516	3.0
401.15210	0.2
402.15237	0.2
421.13101	1.2
440.64639	0.2
483.04526	0.2
515.31909	21.4
516.32434	0.5
545.22821	0.4
546.23425	0.2
573.22125	0.5
590.22681	0.5
631.22247	0.2
677.37146	100.0
678.37500	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99762	0.2
55.05496	0.3
57.07051	0.3
67.05499	0.7
71.60827	0.4
75.96403	0.2
79.05493	0.5
81.03417	0.4
81.07043	0.8
82.57806	0.2
83.08645	0.3
91.05471	0.5
93.07051	0.7
95.04977	0.3
95.08618	0.4
105.07021	0.3
107.04904	0.2
107.08596	0.4
109.06551	0.3
109.10162	0.2
119.08588	0.5
121.10127	0.4
131.08572	0.3
133.10146	0.2
134.92183	0.2
136.06200	0.4
173.02954	0.3
185.04234	0.9
193.05034	0.3
256.26395	0.6
259.07947	0.5
267.15729	0.2
333.24713	0.5
347.09549	1.1
353.26575	0.3
430.05643	0.2
486.93539	0.2
515.31927	23.0
516.32141	0.4
677.37158	100.0
678.37372	1.8
703.51703	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	677.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20986	0.1
55.05494	0.2
57.03426	0.2
60.05640	0.2
61.02888	0.1
67.05486	0.2
69.03425	0.9
69.07047	0.2
71.04990	0.2
71.61185	0.1
79.05480	0.3
81.03416	0.8
81.07059	0.9
81.32850	0.1
83.04958	0.2
85.02910	0.6
87.06716	3.2
89.03882	0.3
91.05478	1.1
93.07023	0.2
95.04989	0.2
97.02888	0.5
97.06538	0.1
99.04391	0.1
101.03500	0.1
103.51058	0.1
105.07011	0.4
107.04928	0.1
107.08559	0.3
109.02865	0.4
109.06478	0.2
109.10190	0.1
111.06722	0.1
112.18943	0.1
113.04670	0.2
117.03363	0.9
119.04942	0.5
119.08584	0.5
121.10155	0.3
123.04408	0.2
123.08185	0.1
123.11711	0.3
127.03940	0.6
131.04900	0.1
135.04382	0.2
136.07600	0.2
137.05966	0.4
141.04097	0.6
142.04843	0.2
143.05640	100.0
144.06059	0.2
145.02853	3.0
146.03146	0.1
147.04430	1.3
147.11682	1.0
149.06012	0.2
155.05634	0.3
164.07095	0.1
165.12775	0.4
167.05627	0.3
167.06976	0.2
175.03888	0.7
177.05469	7.0
185.06728	0.6
188.11218	0.1
207.06541	1.3
221.06702	0.1
229.14449	0.3
269.08807	0.2
287.09943	0.2
305.10959	0.5
307.15384	0.1
313.11847	0.1
321.09720	0.2
337.16519	0.2
339.10724	1.3
351.10883	0.1
355.17557	0.1
369.11911	0.2
515.23517	11.9
659.27527	0.4
677.27692	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2443
Annotation	LMPK12112006
Peak:m/z	Relative Intensity
55.01852	0.2
55.05496	0.2
57.03406	0.4
67.05463	0.6
67.05779	0.1
68.99814	0.1
69.03397	0.6
69.07021	0.4
69.88488	0.2
69.88911	0.6
70.06550	0.2
71.04996	0.7
72.08080	0.1
73.02887	0.2
79.05452	0.4
81.03380	0.6
81.07058	1.2
83.04945	0.3
83.08598	0.2
85.02911	1.3
87.97743	0.1
89.03883	0.3
91.05471	1.0
93.07042	0.8
95.04961	0.3
95.08585	0.5
97.02853	0.4
97.06481	0.2
98.21474	0.2
99.04430	0.2
103.05453	0.2
105.07010	0.8
106.04139	0.2
107.08562	0.5
109.02847	0.5
109.06499	0.3
109.10133	0.4
111.04412	0.3
117.03335	0.6
117.06999	0.2
119.04939	0.7
119.08544	0.4
120.08089	0.2
121.06458	0.2
121.10109	0.4
123.11690	0.2
127.03860	0.6
129.05508	0.2
129.06964	0.2
131.04918	0.2
131.08557	0.3
133.10080	0.5
134.03677	0.7
135.08055	0.2
135.11772	0.2
137.05913	0.6
137.09567	0.2
141.01802	0.1
143.05667	0.9
143.08516	0.2
145.02844	1.6
145.10098	0.2
147.04413	0.8
147.11623	0.5
148.07455	0.2
148.11960	0.2
149.05962	0.3
149.09631	0.2
151.03857	0.4
151.07544	0.2
153.01799	0.4
159.08080	0.2
163.03987	0.2
165.01840	0.2
166.08714	0.1
167.07045	0.6
175.03885	0.6
177.05473	3.9
177.08997	0.2
178.05836	0.2
183.02869	0.4
183.11613	0.2
184.07307	0.2
193.08311	0.1
207.06567	1.3
213.05380	0.2
214.06148	0.2
241.04971	1.1
241.13380	0.2
242.05687	0.7
267.16119	0.1
269.04431	0.3
270.05188	2.0
271.06009	7.8
285.07565	0.6
286.04608	0.3
287.05484	0.6
297.03940	0.3
298.04733	29.7
299.05081	0.4
301.07059	1.0
313.07056	100.0
314.07523	1.2
315.08643	0.8
339.10962	0.2
354.11392	0.2
367.11823	0.2
369.13351	34.9
370.13602	0.3
444.28348	0.2
461.28860	0.4
462.29306	0.3
480.30090	0.2
531.18738	0.5
677.25220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80260	0.3
51.82846	0.3
52.29558	0.3
52.68346	0.3
53.03948	0.4
55.95802	0.3
56.04001	0.3
59.04857	0.4
60.05672	0.3
65.03925	0.4
67.05472	0.4
68.15726	0.4
69.03418	1.7
69.60662	1.2
69.61071	0.9
70.06564	0.4
71.05002	0.6
73.20737	0.3
79.05484	0.6
81.03426	1.3
83.05000	0.4
84.08140	0.4
85.02908	1.3
87.06712	3.9
89.03911	5.6
91.05476	3.1
93.03394	0.3
93.07029	0.6
95.04975	0.8
95.08607	0.5
95.50625	0.3
97.02894	0.5
98.97523	0.4
103.05479	1.0
105.03415	0.5
105.07058	0.6
106.04150	0.4
107.04987	0.5
107.08618	0.4
109.02894	0.9
109.06487	0.4
117.03381	17.8
119.04931	3.4
121.06535	0.6
122.06001	0.4
123.04380	0.4
124.05185	0.9
127.03907	0.9
128.57454	0.3
131.04913	0.6
133.02850	0.5
134.03625	1.3
135.04436	1.3
137.05974	3.8
139.03896	0.4
141.04065	1.0
142.04866	4.6
143.05640	100.0
145.02841	44.2
146.03247	0.3
147.04422	4.3
149.05977	6.6
149.09543	0.3
151.03824	0.4
151.07553	1.2
161.05962	1.2
162.06772	0.9
163.03900	0.9
163.07526	0.4
165.05472	0.4
167.07039	1.3
173.05888	0.4
175.03888	2.6
177.05467	62.9
178.05797	0.5
179.07037	4.5
180.07852	0.3
186.05499	0.6
189.05501	0.4
195.06505	0.3
201.05479	2.4
207.06549	2.0
231.06453	0.5
233.05934	0.5
234.06573	0.4
237.09169	0.5
265.08716	0.6
277.08588	0.4
283.09427	0.5
295.10480	0.5
305.07956	0.9
313.11853	0.3
321.09579	1.4
325.10672	3.1
337.10681	2.7
339.10385	0.7
341.10199	0.5
353.10132	1.2
355.11899	3.4
373.12921	2.0
411.18738	0.5
482.66663	0.4
487.15726	0.8
505.63568	0.4
515.15155	0.7
517.16577	0.4
535.18683	1.8
535.25684	0.4
667.50415	0.3
677.22363	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
58.85208	0.2
65.03934	2.5
67.05504	1.9
68.99769	0.4
69.03425	1.7
69.77594	0.5
69.78008	1.2
70.06584	0.6
71.04983	0.2
73.63463	0.2
81.07082	0.3
83.04976	6.9
84.08115	0.3
85.02905	2.7
86.09728	0.4
87.04453	0.3
88.81274	0.2
91.05475	11.9
93.03401	3.7
95.04969	1.7
97.02850	0.4
98.21420	0.4
99.00811	1.1
106.04379	0.3
107.04943	0.6
109.02845	0.3
111.04431	11.7
115.03921	0.4
117.01884	0.3
119.04934	26.9
120.05273	0.4
121.02872	2.0
123.04425	0.4
127.03887	0.8
129.05482	5.6
135.04498	0.3
139.03902	7.7
142.04845	0.3
143.05640	7.7
143.08116	0.6
145.02811	0.4
147.04399	100.0
148.04741	1.3
148.69548	0.3
157.04961	7.6
163.03912	0.3
165.05531	0.7
175.04414	0.4
175.05998	6.5
177.05461	0.8
203.67900	0.2
207.06491	0.5
213.09128	1.0
247.07556	0.3
273.06021	2.2
293.08087	0.4
303.08676	1.1
311.08942	0.3
321.09610	3.0
447.11377	2.6
467.13535	1.9
493.81430	0.2
497.22189	0.6
619.55597	0.2
677.25305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.5
55.83366	0.5
57.16561	0.5
62.57451	0.5
62.87237	0.5
65.03926	1.0
67.05493	1.5
68.99785	0.6
69.03403	1.9
69.88712	1.0
69.89133	2.0
80.32404	0.5
81.03401	1.4
82.49417	0.5
83.04974	3.7
85.02889	1.6
87.04458	0.6
87.06724	4.0
91.05485	2.6
93.03390	1.7
95.04955	1.7
97.02918	1.3
99.00817	1.1
107.04951	0.6
109.02853	2.1
111.04446	5.8
119.04940	5.6
121.02876	1.0
127.03904	2.0
129.05511	2.8
129.06317	0.5
135.04411	1.3
139.03926	3.6
141.04070	1.7
143.05641	100.0
145.02771	0.6
147.03226	1.1
147.04413	22.2
157.04976	3.3
163.03885	2.6
175.06020	2.3
177.05539	0.6
185.06635	0.6
211.09831	0.5
237.02699	0.7
273.06039	1.4
281.84540	0.6
305.10867	3.1
320.66095	0.6
339.10620	0.8
348.36276	0.6
373.09949	4.2
447.11185	2.0
481.12173	0.7
499.13199	5.0
517.13934	2.8
533.52393	0.6
535.15259	5.4
677.20386	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	676.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01871	4.6
55.05262	1.4
55.05512	16.1
57.03436	15.8
57.07064	3.0
61.02918	4.7
65.03919	2.0
65.45586	1.1
67.05503	47.7
69.03425	4.4
69.07075	18.6
69.30470	12.6
70.06560	1.0
71.04986	6.2
73.02917	2.8
73.64588	0.9
79.05495	39.4
81.03419	44.3
81.07058	68.8
83.04986	14.1
83.08621	28.2
83.09116	1.8
85.02909	20.1
85.06537	4.4
89.75599	1.1
91.05479	33.2
93.07047	46.9
94.07384	1.0
95.04970	20.5
95.08607	17.5
97.02886	6.2
97.06522	8.6
97.10175	3.9
98.20780	2.6
99.04443	1.4
99.08091	3.7
105.07028	20.3
107.04961	5.7
107.08596	27.4
109.02850	1.2
109.06512	5.7
109.10164	4.7
111.04479	2.4
111.08095	11.2
115.05446	1.9
117.07023	7.4
119.08594	13.2
121.06542	2.3
121.10140	20.8
123.08102	2.2
123.11689	2.4
125.09576	1.4
129.07005	8.6
131.08559	14.4
133.06505	1.7
133.10132	13.5
135.08034	2.2
135.11723	6.8
137.09648	1.9
142.07861	1.6
145.10123	2.3
147.08086	1.8
147.11697	12.5
149.09628	4.0
149.12167	2.0
149.13263	21.3
151.11189	1.4
157.10124	10.2
159.11697	9.7
163.11235	1.4
165.12798	2.3
175.11165	8.9
177.12772	3.3
193.12228	25.7
195.13814	9.8
211.13304	39.4
213.15121	1.3
243.15933	1.3
248.29791	1.0
267.15909	22.4
269.17477	87.6
270.17838	3.2
285.16977	29.8
286.17349	1.2
433.30008	1.1
443.28073	1.4
461.28976	44.7
462.29358	2.5
479.30035	100.0
480.30688	5.9
665.40179	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35145	0.8
50.86757	0.9
55.01854	2.2
55.05297	1.0
55.05517	9.0
57.03435	3.9
61.02919	3.9
65.03931	1.7
67.05167	1.8
67.05508	21.2
67.05867	1.1
69.03442	4.8
69.07069	7.6
69.64259	7.0
71.04988	3.7
79.05497	16.8
81.03422	7.4
81.07059	28.3
81.61171	1.0
82.58028	1.0
83.04977	5.3
83.08612	7.8
85.02914	7.1
85.06537	2.0
87.45322	0.8
89.54794	1.0
91.03954	1.6
91.05481	20.8
92.05813	1.2
93.07047	18.1
95.04974	7.5
95.08617	13.8
97.02896	3.5
97.06544	3.9
97.10146	2.3
98.20720	1.1
99.04523	1.2
99.08080	1.7
103.05441	1.3
105.07045	17.6
107.04964	2.9
107.08593	12.9
109.02890	2.9
109.06497	3.6
109.10175	5.3
111.08086	2.0
117.07005	5.6
119.04963	2.5
119.08585	12.7
121.02821	1.0
121.06501	3.5
121.10136	8.1
123.04424	2.8
123.08095	2.1
123.11691	8.0
125.09648	3.5
126.14597	0.9
127.03905	3.9
127.07536	0.9
129.07013	5.6
131.04947	1.0
131.08575	8.9
133.06464	2.4
133.10147	6.1
135.08047	2.6
135.11684	3.2
137.05997	3.3
137.09644	1.5
137.13181	0.9
141.07022	1.7
143.05702	2.1
143.08601	3.0
145.02869	4.4
145.06467	2.0
145.10072	4.7
147.04405	3.8
147.08058	2.2
147.11681	15.2
149.06007	1.6
149.09607	2.3
149.13315	1.9
155.08597	2.0
157.10168	3.7
159.08118	1.6
159.11742	2.6
160.04854	0.9
161.06015	1.2
161.09645	1.3
163.11134	1.6
165.12782	4.6
167.07050	3.2
169.10101	1.9
171.11728	2.9
173.04506	1.7
173.09634	1.2
173.13283	2.0
175.03934	3.0
175.11192	2.6
177.05490	11.4
177.12761	1.5
181.10207	1.1
183.11777	1.7
185.09540	1.3
185.13290	1.5
187.11203	1.2
189.11310	1.3
193.12274	1.5
195.11696	1.5
195.13814	1.3
199.11287	1.2
203.14267	1.4
207.06549	6.4
215.14314	1.3
217.15797	1.9
221.13405	1.5
233.08174	1.1
249.14961	1.5
267.15955	10.3
268.16330	1.0
269.04028	1.2
269.17426	3.0
285.07562	1.2
287.05573	2.6
301.50952	1.1
323.23849	1.5
341.24579	1.4
351.13556	1.1
351.23370	2.8
369.24228	6.7
383.15851	3.3
387.25320	7.6
405.26227	1.5
415.18539	1.7
433.29565	3.5
443.27939	17.8
461.29010	100.0
462.29642	2.8
479.30075	24.6
485.29117	2.0
503.30063	2.4
507.95837	1.1
569.31305	1.2
605.33453	1.7
613.26459	1.2
623.33942	1.6
676.22760	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.0
55.05510	13.1
57.03440	10.9
59.95607	1.3
61.02916	6.4
65.03934	1.4
67.05505	44.8
69.03431	4.9
69.07069	12.5
69.50045	12.0
71.04981	6.5
73.02917	1.6
79.05491	30.2
81.03417	38.9
81.06577	3.2
81.07056	59.8
83.04987	10.7
83.08619	24.9
85.02907	18.6
85.06535	3.0
87.04528	1.7
91.03950	2.7
91.05479	31.9
93.06467	3.0
93.07040	37.1
95.04969	17.8
95.08604	15.4
97.02885	5.5
97.06546	7.5
97.10157	3.8
99.08056	1.7
104.16682	1.5
105.07016	18.7
107.04972	5.2
107.08592	21.5
109.06533	4.1
109.10155	5.3
111.08073	8.5
116.10773	2.4
117.06995	8.6
119.08578	16.6
119.91286	1.5
121.06544	2.2
121.10128	12.2
123.08047	2.7
123.11701	4.2
127.03911	2.6
129.07013	6.9
131.08574	12.6
133.06473	1.7
133.10126	17.8
135.08069	1.7
135.11719	5.9
142.07822	1.6
145.10112	3.6
147.08052	2.5
147.11697	10.0
149.09613	3.3
149.13268	12.0
151.68713	1.5
157.10104	8.5
159.11708	5.2
163.11206	1.6
165.12785	3.4
168.05525	1.6
174.05386	1.5
175.11182	10.3
177.12805	2.8
193.12238	24.5
195.13828	9.5
211.13269	36.4
214.18007	16.2
267.15924	18.8
269.17471	52.5
270.17886	1.7
285.16962	31.6
287.05441	2.3
288.05853	2.4
289.06189	2.6
307.33243	1.5
309.88211	1.5
443.27518	2.9
461.28979	33.6
479.30014	100.0
480.30417	3.0
483.79141	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01884	2.6
55.05499	2.9
56.05021	2.1
57.03437	6.9
57.21818	1.2
61.02939	6.2
65.03944	2.2
67.05507	11.2
69.03440	8.0
69.07071	3.3
69.69200	7.4
70.06586	7.0
71.01352	1.7
71.04978	4.2
72.08157	1.3
73.02910	2.3
74.06107	1.7
79.05495	9.9
81.03421	77.3
81.07065	8.5
83.04978	6.1
83.08617	19.7
84.08136	4.2
85.02915	13.9
86.09708	3.0
87.04459	1.5
87.06705	2.3
91.03977	6.3
91.05482	12.8
93.07039	5.7
95.04980	25.4
95.08613	10.7
96.04509	1.8
97.02910	9.5
97.06538	2.2
99.08026	1.6
105.07030	11.0
107.04939	8.3
107.08580	4.1
109.02899	6.4
109.06507	3.6
109.10118	1.7
110.07139	3.7
111.04437	5.8
111.08084	7.4
117.03345	3.1
117.06967	1.9
119.04941	5.7
119.08598	8.0
121.06511	3.5
121.10149	4.5
123.04420	6.8
123.08095	1.4
124.07645	1.8
127.03928	11.1
128.04242	1.4
129.07036	6.7
131.08574	4.5
133.06491	3.4
133.10118	5.6
135.04408	5.8
136.07607	3.0
137.05966	5.8
138.50992	1.1
139.03894	5.7
140.07047	2.5
143.05641	51.0
144.04115	2.1
144.05984	5.9
145.02806	8.3
145.04904	3.1
145.06567	1.7
145.10211	2.1
147.04413	12.6
147.08055	2.4
147.11676	6.3
149.06024	2.9
149.09622	4.6
151.03891	1.7
152.07085	2.6
157.10121	8.5
161.05995	2.3
163.03909	4.7
163.06039	4.6
163.07437	2.7
163.11232	3.8
164.04262	1.7
164.07074	3.5
164.10693	5.6
165.05452	1.4
166.04997	2.5
167.07063	3.1
175.03868	7.8
175.11162	12.1
177.05486	16.2
192.10181	7.0
193.12256	61.2
195.07990	1.7
207.06505	11.5
209.06110	1.8
211.13306	4.9
223.07603	2.1
235.13322	4.1
237.09094	3.9
241.09810	1.7
247.06029	2.4
255.10732	1.5
264.30325	1.3
265.08606	2.5
267.15927	44.5
283.10156	2.0
284.11075	1.5
285.16974	100.0
286.17300	1.5
301.14450	2.1
303.04898	1.4
309.17035	18.3
311.09225	3.1
313.11926	3.0
323.39636	1.3
351.18094	3.1
363.17923	3.8
369.11911	2.4
373.13980	4.4
375.17978	3.8
393.19193	4.4
410.16006	3.6
411.20276	2.9
428.48871	1.5
429.21161	9.5
449.15176	1.4
454.19980	2.1
461.23358	1.5
467.16769	1.7
483.13611	1.3
485.17368	5.8
512.19049	4.7
514.21686	3.5
517.17566	2.0
530.20007	3.0
535.18677	4.5
556.21967	1.6
644.19623	5.0
676.25940	10.9
677.19806	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	675.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
53.99088	2.7
54.14468	2.3
55.01868	3.1
55.05516	16.3
57.03439	13.9
57.07072	5.5
61.02927	28.1
67.05509	41.1
69.03430	13.7
69.07064	15.9
69.91888	15.4
70.06580	2.5
71.04990	4.7
73.02909	8.9
79.05496	46.0
81.03400	13.5
81.07064	46.4
83.04970	4.1
83.08616	10.7
83.20998	2.4
85.02908	33.9
85.06551	4.7
86.68051	2.2
89.03886	2.6
91.03948	14.1
91.05488	41.0
91.09595	2.5
93.07044	58.3
95.04975	9.6
95.08613	27.2
96.36190	2.3
97.02882	17.6
97.06531	4.9
97.10184	4.1
99.04445	3.5
105.07038	46.3
107.04948	6.6
107.08602	34.4
109.02879	8.5
109.06503	5.6
109.10127	21.6
111.04441	2.7
111.08029	3.6
117.03384	3.7
117.07024	11.6
119.04964	12.5
119.08585	36.2
120.08074	2.8
121.02914	2.7
121.06525	5.8
121.10144	23.5
123.08048	3.9
123.11720	3.6
125.09702	3.7
127.03934	8.6
129.07011	13.0
131.08565	20.1
133.10138	32.6
135.08060	5.3
135.11700	20.2
137.06017	3.1
137.09663	3.1
143.05614	3.1
143.08543	7.8
145.02831	6.7
145.04980	6.4
145.10129	21.7
147.04404	9.3
147.08040	5.3
147.11679	25.5
149.09592	4.1
149.13263	17.1
151.03929	3.0
155.08582	5.1
155.31781	2.8
157.10152	8.8
159.11732	18.4
161.09682	3.9
161.13242	19.9
163.06038	6.1
163.11186	4.6
163.14850	3.3
167.07150	6.1
167.08522	2.6
169.10193	5.2
171.11681	14.7
173.13289	10.6
175.03900	14.9
175.14830	11.6
177.05469	15.7
181.10213	3.0
183.11674	4.0
185.13263	12.5
191.10619	4.1
199.11156	3.0
199.14764	4.9
201.56525	2.5
207.06567	20.5
215.68617	2.5
227.12762	2.7
231.21159	3.8
241.19539	20.1
259.20563	46.0
267.16113	3.3
271.20480	3.1
275.20081	3.4
277.21619	11.1
329.21582	4.5
333.24170	8.5
349.23953	3.1
351.25302	100.0
367.22711	4.2
375.25360	4.5
417.26328	5.1
441.26450	12.0
459.27246	12.6
460.27985	4.8
477.28568	13.3
478.28806	7.2
495.29535	13.0
575.51685	2.8
675.37512	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	675.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
55.01856	8.8
55.05509	29.1
57.03439	37.5
57.07079	2.8
58.50983	2.2
58.67444	2.5
59.04990	2.7
59.14981	2.5
61.02648	3.1
61.02931	45.2
62.59466	2.3
65.03940	4.6
67.05509	73.1
68.05872	2.5
69.03426	42.6
69.07072	22.0
70.46509	4.1
70.46907	6.1
71.01328	4.6
71.05000	22.3
73.02916	17.7
75.04475	3.2
77.03929	2.7
79.05496	76.2
81.03419	48.1
81.07059	100.0
82.07407	2.9
83.01321	2.6
83.04987	17.0
83.08622	18.7
85.02905	69.5
85.06538	8.2
87.04453	5.0
91.03952	25.2
91.05482	68.7
93.06477	5.0
93.07049	85.4
95.04994	19.3
95.08607	80.2
97.02893	69.8
97.03517	3.6
97.06528	13.5
97.10166	8.9
98.21496	2.7
99.04467	16.0
99.08105	6.0
101.02408	13.3
103.03938	11.0
105.07029	62.9
107.04977	5.0
107.08595	72.1
109.02871	18.8
109.06523	14.9
109.10152	31.8
111.04440	7.1
111.08088	8.3
113.06001	5.0
115.03985	2.8
115.05444	4.1
117.07035	22.6
119.04961	2.6
119.07796	5.0
119.08582	48.0
121.06449	3.5
121.10150	48.2
123.08069	7.9
123.11721	7.5
125.09613	9.4
127.03939	32.0
128.06233	4.1
129.05482	10.4
129.06996	9.5
131.08577	32.0
133.06485	3.1
133.10132	45.9
135.08055	6.6
135.11690	33.8
137.05952	4.2
137.09608	7.7
139.11205	3.5
141.07034	2.7
142.34436	2.3
143.08530	12.5
145.04944	13.6
145.06445	3.1
145.10133	31.0
147.08066	3.4
147.11707	33.9
149.05969	3.0
149.09625	4.6
149.13251	16.1
151.11197	3.2
155.08536	6.3
157.10106	9.9
159.08067	3.2
159.11691	31.5
161.09666	4.2
161.13249	15.6
161.23959	2.2
163.06049	3.0
163.07494	3.0
163.11226	6.6
163.14867	6.6
165.12741	6.2
167.08456	2.2
169.10161	3.5
171.08102	3.3
171.11716	14.6
173.09496	3.7
173.13298	21.2
175.11072	2.9
175.14824	7.5
177.05551	3.6
177.12732	4.6
183.06529	7.1
183.11795	2.9
185.13228	8.4
187.14841	13.7
189.12589	2.8
191.14296	4.6
193.12239	4.3
195.13840	4.6
197.13229	3.7
199.14891	6.4
201.07529	4.5
201.16373	4.5
203.14389	4.6
203.17986	3.2
205.15900	5.4
207.06534	6.4
211.11116	2.6
213.16357	4.1
215.14279	2.3
217.15919	2.4
219.17552	3.7
229.14110	2.5
231.21021	2.8
241.19437	13.9
257.18915	3.2
259.20572	41.5
261.18488	2.6
269.17529	4.2
275.20053	5.9
277.21646	64.0
293.21140	4.8
301.21567	4.8
325.15598	3.3
333.24225	14.2
339.23190	2.7
351.25305	73.0
363.25031	2.7
367.22531	3.1
369.26248	4.3
375.25378	3.9
379.24408	3.5
385.17593	8.6
385.23492	3.2
393.26550	4.7
421.25635	4.8
459.27377	8.8
460.27838	6.6
477.28494	12.8
478.28717	9.2
495.29370	13.6
513.30463	6.2
532.89679	2.7
675.34937	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	675.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
62.52949	0.2
69.82872	1.5
69.83282	0.4
79.05486	0.5
125.69972	0.3
213.70947	0.3
213.89667	0.3
308.02774	0.3
330.48712	0.3
336.84811	0.3
427.17761	0.5
430.16776	0.3
439.14178	0.4
441.19809	0.4
444.18063	0.7
445.18613	0.8
453.15811	0.9
454.16626	1.2
455.13080	0.6
455.30124	0.3
457.15250	0.9
467.17429	1.1
468.13803	2.2
469.14752	7.1
470.15683	2.1
471.16745	1.4
472.17975	0.4
479.17694	0.5
480.14215	0.7
481.14728	3.1
482.15802	9.4
483.16647	10.2
484.17273	2.4
485.18240	1.1
487.15741	0.6
495.16736	3.0
496.17459	6.2
497.18219	36.2
498.18835	5.6
499.19708	1.0
500.17273	0.9
501.17163	0.8
509.16333	0.3
510.19650	1.9
511.19791	4.7
512.20673	1.4
513.17908	1.0
514.19104	0.3
515.19330	2.4
523.16656	0.5
528.16229	1.4
529.16614	0.4
536.19171	0.3
538.20081	0.4
541.17346	1.0
542.17639	1.8
555.18658	3.9
556.19373	3.2
557.20251	3.1
569.20386	0.9
571.22308	0.6
573.22858	1.0
575.20874	0.4
583.22229	0.3
616.21832	1.5
617.22705	1.0
629.22998	0.8
630.23907	0.5
643.24097	5.4
644.24689	6.6
645.23981	1.2
657.25665	5.9
658.26031	0.7
660.24225	1.0
675.26599	100.0
676.26813	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	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.5
68.83186	0.3
69.07049	0.3
69.81335	1.4
76.94924	0.2
79.05504	0.4
81.07060	0.4
91.05482	0.4
91.29191	0.2
93.07021	0.3
95.08632	0.3
116.81831	0.2
119.08586	0.2
120.42171	0.3
122.07451	0.3
143.79478	0.2
287.05475	1.4
288.05853	1.1
289.06024	0.7
400.15524	0.5
413.16202	1.0
414.17285	0.3
416.14795	0.5
421.18558	0.3
425.16562	0.4
426.16757	0.4
427.17780	0.4
428.14078	0.3
428.19006	0.3
429.15417	1.2
430.16641	1.0
439.13870	0.6
440.14407	0.4
441.20236	1.4
442.16678	0.3
443.17471	1.4
444.18466	1.4
445.18817	1.9
452.14862	0.6
453.15607	0.7
455.13586	0.7
456.18439	0.8
457.15231	2.2
458.20370	0.4
467.12811	0.7
467.17606	1.1
468.14301	1.0
468.19180	0.4
469.14145	2.5
470.15216	1.3
471.16290	3.4
472.17380	1.6
472.52762	0.2
480.14108	1.3
481.14728	2.5
482.15735	3.0
483.16724	4.1
484.17917	1.2
485.18521	4.3
486.19324	0.3
493.15161	0.3
494.16022	0.5
495.16611	9.3
496.17477	4.7
497.18210	9.9
498.19281	1.3
499.15411	0.5
499.20181	0.8
500.16608	0.6
502.18271	0.5
503.18976	0.3
509.18204	0.5
510.19092	0.4
511.19760	0.8
513.17737	2.5
514.18744	0.8
515.19550	1.1
516.20276	0.3
523.16095	0.5
525.17987	0.4
527.19110	0.8
528.16681	0.7
529.21344	1.1
531.19366	0.7
536.19043	0.4
538.20721	0.3
541.17426	0.3
542.17609	0.5
555.18597	10.3
556.19543	0.7
557.20453	1.0
558.21661	0.3
569.21112	0.3
573.23932	3.6
583.21881	0.8
584.22296	0.4
585.22827	0.5
601.23212	0.7
616.22260	0.3
617.22504	3.2
643.24023	4.1
644.24774	1.3
645.21844	2.9
657.25183	0.7
660.24133	4.6
675.26581	100.0
676.26935	5.3
692.06866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01880	7.2
55.05516	17.5
56.96553	1.7
57.03459	6.7
57.03684	1.4
59.04996	2.2
61.02907	4.0
65.03928	2.4
67.05511	35.6
69.03434	6.3
69.07075	10.8
70.06578	2.2
71.04989	3.4
71.60713	1.6
73.02928	2.3
79.05498	27.7
81.03429	14.0
81.07066	31.6
83.01366	1.4
83.04999	10.2
83.08628	12.6
85.02907	6.6
85.06544	2.3
91.03960	1.5
91.05490	29.9
93.07051	25.8
95.04991	12.4
95.08624	14.5
97.02879	5.2
97.06514	7.6
97.10175	9.8
99.04484	2.4
103.05448	1.9
105.03371	1.8
105.07043	20.6
107.04973	10.8
107.08612	18.6
109.02846	2.1
109.06511	3.7
109.10162	17.8
111.04478	7.4
111.08086	4.9
111.36089	1.5
115.05476	3.2
117.07019	9.0
119.04940	5.8
119.08614	9.2
121.02879	1.8
121.06512	7.8
121.10140	8.8
121.95569	1.2
123.04439	2.4
123.08064	4.0
123.11660	3.3
125.09645	7.8
127.03931	3.4
128.08212	1.7
129.07004	8.7
131.04929	2.9
131.08592	11.6
133.06480	4.6
133.10133	17.7
135.08047	5.4
135.11708	7.7
137.09573	2.6
141.06969	1.7
143.05704	1.8
143.08617	6.6
145.02907	2.0
145.06480	5.4
145.10121	11.0
147.04416	3.0
147.08051	5.6
147.11671	5.4
149.06004	3.0
149.09621	2.4
149.13229	2.2
151.03920	1.7
151.11176	4.9
153.09087	1.8
153.12752	4.0
155.08533	3.0
157.06538	2.4
157.10092	3.8
159.08029	2.6
159.11694	4.6
159.21638	1.3
161.05984	2.6
161.09631	4.0
163.11137	7.2
165.12607	1.3
167.07097	2.4
167.08542	1.5
169.10132	2.7
171.08014	3.5
171.11707	5.3
173.09602	2.5
173.11833	1.8
173.13266	2.6
175.03905	4.1
175.11230	1.4
177.05469	4.8
181.10194	2.1
181.12108	2.0
183.11739	2.5
185.09697	2.1
185.13258	3.2
189.11232	5.2
189.12706	1.6
193.12317	3.8
195.11671	2.2
197.13333	3.1
198.63486	1.5
205.12270	1.8
207.06512	4.7
207.13902	2.2
209.11641	2.0
209.13358	1.7
219.13550	1.3
221.15137	1.4
227.12775	6.0
229.14391	2.3
231.13815	2.8
233.15401	2.5
237.12614	1.9
245.85663	1.6
249.14937	3.0
267.15964	3.7
269.17450	4.7
283.15350	9.1
287.05444	2.4
287.16345	1.8
339.23352	2.3
349.21616	3.4
357.24158	4.6
367.22672	15.1
385.23792	30.3
403.24628	7.3
431.27979	2.9
441.26407	4.0
459.27423	89.3
477.28552	100.0
478.28271	1.9
495.29749	7.9
551.22040	4.8
552.23212	4.3
651.88086	1.6
674.34955	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	674.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.9
55.05510	13.5
57.03435	8.1
59.04996	1.5
61.02927	6.5
62.31252	0.8
65.03928	2.2
67.05502	27.5
69.03427	6.9
69.07068	9.2
70.06588	1.0
71.01353	0.8
71.04994	4.1
73.02912	3.2
79.05053	1.6
79.05491	22.4
80.05829	0.9
81.03414	17.1
81.07056	35.5
82.03765	1.0
83.01337	2.0
83.04980	11.2
83.08614	11.2
85.02902	10.1
85.06524	2.4
86.09692	1.8
86.90600	0.8
91.03961	2.9
91.05477	21.1
93.07043	26.6
95.04968	9.6
95.08603	11.2
96.08924	1.1
97.02886	7.9
97.06515	7.7
97.10161	8.3
98.03267	1.0
99.04460	3.1
99.08083	1.7
103.05491	0.9
104.10746	1.6
105.07030	12.1
107.04964	5.3
107.08592	18.7
108.08923	1.2
109.02881	4.0
109.06510	3.6
109.10143	7.3
110.03201	0.9
111.04466	6.9
111.08082	4.8
115.05421	1.4
117.03413	1.0
117.07006	8.6
119.04929	4.8
119.08580	10.8
120.08936	0.9
121.02982	1.1
121.06546	4.1
121.10143	10.1
121.71179	0.8
123.04473	1.0
123.08070	3.5
123.11659	4.2
125.00032	1.0
125.09652	5.6
127.03905	5.6
129.06972	4.8
131.04909	0.9
131.08589	8.4
131.98201	0.8
133.06490	1.5
133.10132	7.6
135.08044	2.4
135.11678	8.7
137.05975	2.0
137.09624	1.8
139.98941	0.9
143.05716	1.8
143.08545	2.4
145.02852	2.0
145.06499	3.4
145.10109	9.6
146.10489	1.1
147.04404	3.6
147.08055	2.6
147.11688	6.7
149.09608	3.1
149.13263	6.1
151.03896	0.9
151.11172	1.3
153.01707	1.0
153.09012	1.3
153.12701	4.5
155.08585	1.8
157.10133	3.1
159.08067	1.6
159.11653	6.2
161.06026	1.4
161.13246	1.1
163.03957	1.0
163.11177	11.1
165.09134	2.0
165.12733	1.5
167.07072	2.6
169.10091	0.9
173.09627	3.3
173.13319	2.2
175.03880	5.8
175.11128	1.7
177.05486	4.0
177.12747	2.8
181.12149	4.7
182.12491	0.9
184.07355	1.5
189.11224	2.7
191.10677	3.7
193.12300	2.5
195.13789	4.0
197.13254	1.6
207.06506	10.7
209.11749	2.2
211.13316	2.3
213.14738	1.9
215.14297	1.1
227.12743	8.0
229.04997	1.0
229.14317	5.5
233.15346	1.6
237.71106	0.9
267.15930	6.6
269.17477	18.0
275.20157	2.3
276.20480	3.3
283.15366	19.5
285.16931	1.5
287.05447	5.0
303.04935	8.3
349.23758	1.2
350.24045	3.2
357.24121	1.3
367.22723	3.0
385.23761	5.2
403.24741	4.9
421.25674	0.9
433.25845	1.2
441.26324	1.2
459.27304	15.1
476.27005	0.8
477.28482	100.0
478.28604	1.6
495.29541	16.0
530.54852	0.9
539.63837	1.0
674.34650	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	674.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
54.03482	1.2
55.01871	0.3
55.04252	0.6
57.70767	0.3
58.53354	0.2
61.70974	0.2
65.03932	0.2
67.05519	0.3
68.99809	0.8
69.03419	0.4
70.06594	100.0
70.29034	1.2
71.06922	0.6
73.71618	0.2
77.03952	0.2
78.11916	0.2
79.05513	0.6
81.03439	0.5
81.07075	0.4
81.73749	0.3
89.03916	0.6
91.05497	0.7
93.03432	0.5
93.67715	0.3
95.04977	1.0
97.43918	0.3
103.05486	0.6
105.06961	0.3
107.04964	1.5
109.06534	0.9
111.04458	0.7
111.92536	0.2
117.03403	0.3
119.04955	1.6
121.02867	0.3
121.06471	0.3
123.04427	6.6
131.04950	0.3
135.04420	21.3
136.04877	0.3
137.02339	0.3
137.05969	5.0
139.03903	5.2
139.04901	0.4
143.05673	0.7
145.06471	0.3
147.04404	1.4
151.03915	1.9
153.05521	1.1
159.04459	1.4
161.06024	1.1
161.57582	0.3
163.03914	25.5
164.04654	0.8
165.05486	15.6
173.06015	0.6
175.03966	1.1
176.07147	0.4
177.05493	2.2
179.03520	0.5
185.06099	0.4
187.03894	3.7
187.05299	0.3
187.07570	0.3
189.05473	0.3
191.03448	0.5
193.05037	0.5
197.06018	0.6
201.05495	1.0
203.03416	0.5
203.07002	0.4
205.04977	2.1
207.06514	0.4
207.08205	0.3
211.07620	0.5
215.07150	0.9
217.05099	0.7
225.05533	0.4
227.07118	0.4
229.05002	2.1
239.07214	0.6
241.04971	0.6
243.06580	1.0
253.04945	0.3
255.06635	0.7
259.06122	1.3
267.06503	1.5
269.08054	0.5
271.06015	4.6
273.07639	0.8
279.06631	0.5
281.08148	0.4
283.06000	2.1
285.07581	8.6
285.10660	0.4
286.07919	0.3
289.07330	0.3
295.05991	2.7
297.07602	1.7
299.09290	0.5
301.07098	3.0
309.07593	1.5
313.07037	4.4
315.08682	1.4
325.07077	3.1
327.08652	5.1
337.07358	0.4
384.14413	2.0
411.10898	1.6
435.10965	1.1
447.10883	2.8
453.11884	1.0
465.11874	3.9
466.11923	0.3
522.18152	0.3
537.71002	0.3
599.37500	0.3
605.16443	1.4
617.16638	5.1
674.22314	21.9
675.22931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25434	1.2
53.03942	4.5
55.01869	6.0
55.05510	24.4
57.03432	5.2
57.07084	1.7
65.03947	1.8
67.05505	35.3
69.03437	7.1
69.07069	27.9
69.80547	8.7
71.04966	1.6
73.51019	1.3
78.82491	1.3
79.05495	30.9
81.03420	10.5
81.07059	35.4
83.04991	7.1
83.08614	11.4
85.06540	1.9
91.05477	24.5
93.07047	28.7
95.04964	15.9
95.08609	16.1
97.02908	6.7
97.06535	6.9
97.10178	15.4
103.05479	1.6
105.07027	18.3
107.04958	13.1
107.08587	19.7
109.06528	3.6
109.10167	12.4
111.04447	1.7
111.08069	2.4
113.05972	1.5
115.05450	2.1
117.07014	10.2
119.04946	2.7
119.08579	18.5
121.06507	5.3
121.10133	9.4
123.04467	1.5
123.08073	10.7
123.11740	1.7
125.09624	11.4
129.07014	6.9
131.08575	12.2
133.06500	5.8
133.10127	10.9
134.07317	2.1
135.08052	6.5
135.11711	4.0
137.09631	4.9
139.11255	1.6
142.07820	1.4
143.08560	4.9
143.81876	1.4
145.06444	2.4
145.10162	9.9
147.08066	9.0
147.11687	4.9
149.09593	4.6
149.13261	2.4
151.29622	1.4
153.09134	2.6
155.08499	1.8
157.10117	6.5
159.08026	1.7
159.11629	6.4
161.09627	4.0
161.13310	2.1
162.10301	1.3
163.11157	4.5
165.09122	4.2
169.10243	1.7
171.11732	3.6
173.09624	2.2
173.13185	2.0
174.93968	1.4
175.11200	4.5
177.12738	2.3
179.10580	1.8
181.10133	1.6
187.11066	1.4
189.11217	7.8
189.12759	2.7
199.11275	2.1
223.13255	11.9
227.12674	9.8
227.17989	1.7
245.19119	2.5
249.14851	6.0
253.14244	1.4
255.17400	1.5
273.18478	25.0
275.20105	5.5
289.18008	2.0
291.19534	100.0
292.19958	2.1
307.22858	1.4
347.22214	5.6
349.23849	2.3
365.23227	33.1
406.02820	1.5
517.22772	1.5
637.40717	4.7
655.42078	47.3
656.42407	3.3
673.42999	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	673.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.2
53.03941	8.2
55.01865	8.0
55.05267	1.9
55.05513	25.4
56.66279	1.3
57.03443	8.8
57.07070	4.7
58.41167	1.7
63.10181	1.4
65.03944	7.7
67.05507	87.3
69.03430	36.8
69.06728	2.2
69.07071	29.1
71.01334	2.0
71.04982	7.0
72.35549	1.5
73.06561	1.7
79.05495	72.7
81.02935	2.1
81.03420	34.1
81.07061	100.0
83.04989	15.0
83.08610	18.5
85.02911	6.5
85.06553	4.6
91.04898	3.4
91.05482	66.6
93.07049	73.8
95.04972	24.1
95.08609	49.1
97.02889	6.5
97.06551	11.4
97.10183	5.5
99.04484	4.6
99.08109	1.8
103.05487	2.3
105.04498	2.3
105.07037	40.5
107.04953	8.6
107.08595	43.5
109.02878	6.1
109.06522	8.5
109.10172	16.3
111.04446	7.7
111.08083	5.1
115.05483	4.0
117.07024	25.0
119.04919	2.7
119.08587	33.6
121.06512	8.6
121.10145	25.8
123.04430	1.8
123.08089	7.3
123.11727	7.4
125.05977	2.4
125.09644	4.8
127.03926	3.9
128.06213	3.7
129.06999	11.4
130.07799	2.2
131.04945	4.3
131.08588	34.9
133.06509	6.4
133.10129	23.1
135.08078	6.6
135.11708	16.1
135.50659	1.7
137.06065	2.1
137.09615	4.5
141.07005	4.2
142.07779	3.8
143.08569	10.8
145.06505	5.4
145.10135	16.2
147.08037	5.2
147.11699	19.0
149.09595	7.8
149.13255	15.9
151.07501	2.8
151.11176	2.0
153.09111	2.6
155.08612	7.7
157.06467	2.9
157.10144	7.2
159.08086	3.1
159.11702	21.2
161.09625	4.5
161.13257	6.1
163.07527	2.0
163.11223	3.0
165.12776	3.4
167.08574	3.4
169.10112	4.8
171.08127	2.3
171.11740	9.4
173.09659	3.6
173.13264	5.8
175.11214	4.8
175.14861	4.0
177.12746	7.8
180.36844	1.6
181.10144	2.6
183.11731	4.1
185.09688	3.8
185.13272	8.1
187.07553	1.8
187.11166	4.1
187.14841	4.0
189.12773	2.9
191.10762	2.7
191.14304	2.0
195.12003	2.2
195.13840	12.3
197.13292	4.6
199.14658	3.3
201.12839	2.8
203.10728	1.8
209.13258	2.4
211.11241	2.2
211.14832	2.0
213.12801	2.8
213.14778	2.3
215.14424	2.4
219.13724	2.0
233.15402	2.8
249.14876	3.2
259.20465	2.0
261.22202	3.1
267.16013	3.4
269.17493	19.2
273.18854	1.6
273.22186	1.7
275.16733	2.2
275.20102	4.5
277.21680	3.3
283.20789	2.8
289.21677	2.7
291.19559	6.2
291.23090	1.6
295.95337	1.7
301.21664	6.5
303.23108	2.0
315.23193	2.6
319.22842	2.9
327.23175	3.2
335.25812	5.0
339.18045	4.4
339.22943	2.0
341.24863	4.0
345.24182	2.7
351.23218	7.1
353.24982	2.2
365.23581	1.6
369.24243	11.3
377.19470	2.0
387.25247	7.9
395.20633	4.5
405.26486	3.5
425.26947	2.5
443.28009	5.6
461.28992	5.8
527.36761	2.0
529.38702	3.0
581.56848	1.9
599.39227	2.4
628.01947	1.7
637.40656	7.0
655.42120	8.3
673.31543	3.1
673.43109	46.6
674.42944	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	673.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.9
53.03949	7.4
55.01875	4.5
55.05510	27.5
57.03445	8.4
57.07069	4.2
58.03531	1.3
65.03943	4.6
67.05503	76.1
69.03432	32.0
69.03811	1.8
69.06721	2.5
69.07069	25.9
70.43443	2.8
70.43835	3.0
71.01366	2.3
71.04999	7.7
71.08630	1.4
73.02918	1.8
77.03931	1.7
79.05492	65.4
81.03418	31.6
81.07053	100.0
83.04974	10.9
83.08605	14.9
85.02912	6.7
85.06541	5.0
87.04475	2.3
88.52631	1.1
91.05478	57.7
93.07043	70.1
95.04970	20.7
95.08604	43.4
97.02879	8.0
97.06514	9.9
97.10172	4.6
98.21471	1.8
99.04454	5.4
99.08096	2.8
103.05450	3.1
105.04527	1.6
105.07033	40.2
107.04952	8.4
107.08588	37.9
109.02880	6.3
109.06535	8.5
109.10161	16.5
111.04446	6.3
111.08097	5.9
113.06049	1.6
115.05458	3.4
116.06240	2.1
117.07007	21.1
119.08573	29.1
121.06492	7.8
121.10140	22.7
123.04465	2.8
123.08064	4.8
123.11701	8.2
125.06009	1.8
125.09638	1.7
127.03916	4.8
128.06229	4.6
129.05511	1.7
129.07011	11.9
131.08560	29.2
133.06509	4.8
133.10129	21.0
135.08051	5.7
135.11684	17.6
137.09592	2.8
137.13304	1.5
139.07599	1.4
141.07001	5.3
142.07832	1.9
143.08562	9.0
145.06503	5.6
145.10133	15.3
147.08109	4.8
147.11676	15.4
149.09686	4.6
149.13258	17.9
151.11206	1.8
155.08574	6.3
157.06506	1.7
157.10129	9.5
159.08144	3.2
159.11708	18.5
161.09653	2.6
161.13298	5.2
163.11264	2.8
165.12807	2.8
167.08630	1.6
169.10172	5.4
171.08067	2.9
171.11670	8.8
173.04465	1.8
173.09668	4.2
173.13269	8.9
175.07445	1.8
175.11116	2.7
175.14810	2.7
177.12679	6.4
181.10118	3.3
183.11765	4.7
185.09686	3.3
185.13304	5.6
187.11156	2.5
187.14859	4.3
189.12738	2.8
191.14369	1.5
195.11864	2.8
195.13857	11.9
197.09651	1.6
197.13324	2.9
199.11328	2.1
199.14853	5.0
201.12776	1.9
203.10646	1.8
207.11884	1.7
209.13330	2.4
211.11137	2.3
211.14886	2.7
213.12881	2.9
219.13876	1.5
223.14833	1.6
239.14299	1.7
241.19568	2.3
249.14891	2.6
250.88876	1.3
257.15411	1.4
259.20584	2.8
261.22253	4.5
267.15985	2.9
269.17392	19.6
273.22061	2.5
275.20090	2.4
277.21646	3.3
285.22162	1.4
289.21625	2.4
301.21606	6.8
303.22958	2.2
315.23206	1.7
317.24875	1.9
319.22717	2.9
327.23254	3.3
335.25766	3.7
339.18210	4.6
339.23001	1.3
341.24860	2.2
351.23160	6.7
369.24265	13.6
377.19885	1.6
387.25253	6.3
395.20703	4.6
405.26013	1.8
425.27109	1.7
443.28177	4.3
461.28714	8.8
529.39459	3.6
599.39661	1.9
637.40765	6.1
655.41956	9.0
669.92688	1.3
673.43085	49.2
674.42639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.8
55.01868	16.5
55.05505	36.7
56.96550	4.2
57.03435	28.2
57.07061	5.0
59.05005	3.2
61.02924	44.9
65.03913	5.7
67.05502	61.8
69.03427	62.8
69.07067	38.1
70.06593	4.3
71.01341	6.3
71.04988	18.1
71.43309	5.4
73.02916	23.1
77.24563	3.4
79.05492	70.1
81.03414	68.4
81.07053	100.0
83.04976	36.7
83.08625	17.8
85.02901	75.0
85.06538	3.9
87.04472	6.6
91.03960	16.6
91.05478	75.5
93.07045	67.0
95.04994	23.8
95.08608	38.3
97.02882	74.9
97.06533	21.0
97.10172	11.3
99.04457	22.4
99.08091	7.6
101.02379	9.4
103.03925	10.0
105.07024	59.4
107.04954	21.7
107.08578	42.7
109.02863	22.4
109.06514	13.4
109.10143	26.1
111.04433	12.3
111.08070	7.5
113.77715	3.3
115.05468	6.6
117.07004	28.9
119.04923	6.5
119.08571	44.6
121.06505	13.8
121.10141	29.3
122.88303	3.7
123.04434	6.7
123.08080	8.0
123.11680	10.6
125.09631	11.8
127.03926	43.3
129.05464	19.4
129.06985	16.8
131.08562	32.3
133.06468	7.8
133.10129	38.3
135.04367	3.4
135.08047	12.6
135.11682	22.5
137.05949	5.9
137.09644	7.4
141.07002	6.7
143.08528	9.8
145.04961	14.3
145.06491	4.9
145.10141	24.3
145.11116	4.3
147.04384	4.7
147.08025	3.8
147.11671	23.5
149.05952	5.1
149.09633	20.2
149.13249	20.8
151.11159	6.5
153.09042	5.1
155.08562	6.8
157.10127	13.8
159.08000	4.2
159.11678	24.2
161.09633	5.8
161.13264	11.1
163.11176	9.7
165.09152	6.0
165.12712	4.4
167.07071	3.9
167.08482	4.2
169.10097	8.5
171.11713	11.0
173.04500	13.9
173.13243	9.2
175.03969	5.4
175.11250	6.4
177.05501	10.6
177.12718	10.1
179.14427	4.4
183.06537	10.0
183.11594	7.0
185.09634	4.2
187.11209	3.8
189.11176	5.8
189.12695	4.6
193.12273	6.1
195.13817	16.7
199.14714	4.3
201.12721	4.5
207.06564	7.1
207.10222	4.0
212.01170	3.5
227.12782	6.6
229.14261	3.9
229.19612	6.0
239.17900	8.3
247.20557	5.1
257.18988	11.2
267.15988	6.6
269.17490	32.0
273.18655	4.3
275.20044	81.6
287.05557	6.1
291.19574	4.4
293.20776	5.5
297.17163	5.5
307.18756	4.0
328.30884	3.3
331.22672	8.9
339.17679	5.6
349.23718	98.8
367.24509	7.1
373.23361	4.7
383.22318	4.6
395.20624	8.1
413.21652	17.1
457.25790	6.1
493.27905	14.9
511.29077	15.8
655.17450	4.3
673.33563	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	673.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01880	12.1
55.05508	11.7
57.03438	9.7
57.07059	1.3
61.02929	34.1
64.25097	1.2
65.03927	1.8
66.16953	1.1
67.05158	1.0
67.05503	24.5
69.03434	16.6
69.07074	20.1
71.01350	2.5
71.04985	4.6
71.59916	1.7
73.02916	10.9
77.03927	1.4
79.05498	20.0
81.02988	1.8
81.03425	20.5
81.07058	39.5
83.01331	1.1
83.04988	7.5
83.08615	5.7
85.02909	38.1
85.06554	2.5
87.04463	1.0
91.03958	19.4
91.05484	39.4
93.07053	23.9
95.01307	5.4
95.04971	9.6
95.08614	18.5
97.02893	30.6
97.06540	19.9
97.10175	2.4
99.04442	5.5
101.02372	2.5
103.03948	2.5
103.05468	1.1
105.07033	47.4
107.04949	11.5
107.08601	12.4
109.02888	8.3
109.06523	4.7
109.10154	7.0
111.04417	2.0
111.08089	2.2
113.07617	1.1
115.03950	2.5
117.07024	9.3
119.04990	1.3
119.08588	29.5
121.06483	2.4
121.10130	7.4
123.04414	3.0
123.08080	3.7
123.11729	3.1
125.09631	2.2
127.03919	17.5
128.06212	2.5
129.05536	2.1
129.06985	3.3
131.04924	1.8
131.08589	15.5
133.06491	1.8
133.09125	1.5
133.10133	29.8
135.08051	2.3
135.11699	4.9
137.09636	1.9
139.07526	1.4
141.07033	1.7
143.05682	1.8
143.08591	3.2
145.02945	1.2
145.04939	7.6
145.06490	2.2
145.10127	12.1
147.04448	1.8
147.08090	1.9
147.11691	13.7
149.09668	5.7
149.13225	2.8
151.11203	1.6
155.08575	2.0
157.10207	4.2
159.11694	10.8
161.06029	1.4
161.09607	2.3
161.13264	3.5
163.05986	1.9
163.11162	2.4
165.05540	1.1
165.09122	2.1
167.07088	2.0
169.10095	2.7
171.11710	2.7
173.13287	3.3
175.03961	2.1
177.05441	1.7
177.12773	3.7
179.14297	11.8
183.06563	4.1
183.11745	2.4
187.11151	2.7
193.12207	1.4
197.13223	2.3
201.07611	1.8
205.12221	2.4
207.06651	3.0
229.14435	1.9
235.14661	1.3
239.17966	2.5
241.14392	2.1
247.20601	3.0
249.15726	1.1
257.19128	6.9
266.60416	1.1
275.20068	100.0
276.20474	2.2
287.05527	1.4
287.16299	1.3
293.21112	5.9
349.23737	44.2
365.20947	1.3
377.23297	3.6
391.24783	3.4
447.12833	1.6
457.25568	3.0
459.27225	1.5
475.26819	2.2
477.28351	1.5
493.27954	13.1
511.28705	2.9
673.33966	2.4
679.93097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02411	2.8
53.03947	13.0
55.01870	16.8
55.05512	46.0
56.96566	2.7
57.03440	35.4
61.02927	45.7
65.03955	8.2
67.05504	89.9
69.03429	76.3
69.07069	45.4
71.01344	4.0
71.04999	18.1
73.02915	21.9
79.05495	78.8
81.03419	99.5
81.07059	100.0
83.04981	36.0
83.08620	18.6
85.02905	83.9
85.06532	7.6
87.00816	3.7
91.03970	21.8
91.05480	80.6
91.10739	3.1
93.07047	71.7
95.04964	26.3
95.08601	50.4
97.02892	82.6
97.03522	5.2
97.06528	19.2
97.10177	17.0
99.04459	20.3
99.08132	6.4
101.02402	11.3
103.03932	13.6
103.05480	6.4
105.07033	71.8
107.04961	17.1
107.08596	54.8
109.02876	29.3
109.06526	15.5
109.10159	29.4
109.84956	2.7
111.04445	10.9
111.08094	9.5
115.05481	4.0
117.03417	3.4
117.07021	25.2
117.43029	2.7
119.04969	13.2
119.08583	48.7
121.06528	17.6
121.10143	36.0
123.04435	7.3
123.08065	13.4
123.11710	10.2
125.05965	3.1
125.09653	19.1
127.03931	54.2
128.06218	4.7
129.05516	13.4
129.07010	16.2
131.04904	6.5
131.08572	43.3
133.06505	8.3
133.10141	40.5
135.04474	3.8
135.08051	13.1
135.11682	19.4
137.05975	7.8
137.09630	8.2
139.03928	4.9
139.07516	4.1
141.07024	4.5
143.05688	6.2
143.08560	8.8
145.02858	5.7
145.04985	11.9
145.06493	9.2
145.10121	29.0
147.04393	11.6
147.08073	6.9
147.11679	23.5
149.06006	7.3
149.09630	18.3
149.13286	16.8
151.07538	5.7
151.11252	4.4
155.08516	8.1
157.10139	18.2
159.06668	3.2
159.08096	8.0
159.11694	30.8
161.05988	6.2
161.09651	8.0
161.13281	9.9
163.07578	3.3
163.11166	14.3
165.09163	7.8
165.12733	7.7
167.07082	18.7
168.07378	8.7
169.10135	5.7
171.08044	3.5
171.11697	12.0
173.04475	22.1
173.09647	8.1
173.11823	4.0
173.13261	12.9
175.03932	11.1
175.11209	6.9
177.05504	12.0
177.12819	16.4
179.14420	4.1
180.09224	3.4
183.06534	10.8
183.11722	8.8
185.13255	6.0
187.11232	4.2
189.09174	3.4
189.11244	13.7
189.12781	5.6
193.08621	3.8
193.12202	3.3
195.12221	3.2
195.13789	19.5
197.09770	3.1
197.13353	3.8
199.11336	3.2
201.07582	5.4
205.12282	3.6
207.06491	16.9
213.12878	5.2
213.14838	6.8
215.14287	3.4
219.13860	6.2
227.12828	9.0
229.12329	3.6
229.14307	7.2
229.19492	5.1
231.13913	3.4
233.96819	2.8
239.18050	7.8
245.13826	3.6
247.20529	5.0
249.14709	3.7
257.19034	14.5
261.14832	4.4
267.16016	5.9
269.17459	23.0
275.16843	5.3
275.20047	79.6
287.05444	10.7
293.21320	8.0
297.16885	3.6
299.20023	3.4
301.06900	3.1
303.15933	6.2
331.22696	4.0
339.17999	8.8
349.23740	69.6
367.24515	8.3
373.23618	3.4
377.19476	4.3
383.22131	3.4
391.24896	6.7
395.20694	9.6
401.23309	3.2
413.17740	3.8
413.21869	30.8
446.85510	3.5
457.25958	6.1
475.26846	4.0
477.28543	8.2
493.28024	13.8
495.29480	3.5
511.28983	12.6
673.34729	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	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01866	0.9
55.05509	6.7
57.03173	0.6
57.03436	4.3
57.07076	34.0
59.04983	0.7
61.02644	0.8
61.02928	13.3
61.96500	0.5
65.03947	0.9
67.05167	1.0
67.05504	13.2
68.05845	0.7
69.03429	2.7
69.07067	7.7
71.04981	1.1
71.08632	30.7
71.60861	0.9
73.02921	6.2
75.04474	2.3
79.05492	4.0
80.05825	0.6
81.03412	3.3
81.07059	19.4
82.07400	0.9
83.04980	1.0
83.08619	10.9
85.02905	16.3
85.06551	0.7
85.10184	16.6
89.06030	1.2
91.03956	14.5
91.05489	4.1
93.07040	3.3
95.04980	2.8
95.08603	25.3
96.05299	1.0
96.08924	1.0
97.02897	7.6
97.10174	7.2
99.04470	1.3
99.11729	1.6
105.07039	3.4
106.07330	1.1
107.04971	1.3
107.08580	2.1
109.02877	0.8
109.06521	1.1
109.09454	0.8
109.10158	11.0
111.11713	1.8
115.03893	0.7
117.06996	1.7
119.08591	1.8
120.08907	0.7
121.10123	0.7
123.08016	0.8
123.11726	4.9
125.13279	1.2
127.03926	4.8
129.07036	1.2
130.43449	0.5
131.08580	1.4
133.06468	0.8
133.10147	1.5
135.08040	0.6
135.11667	0.8
137.13254	2.6
139.14900	0.6
143.08524	0.9
145.04955	7.8
145.06050	0.8
145.06438	0.4
145.10107	1.4
146.06786	0.5
147.11717	0.8
149.09547	0.5
151.14821	1.1
155.08600	0.9
156.21928	0.5
157.10057	0.6
159.11644	0.9
161.05969	0.7
163.06012	12.9
163.11174	0.7
169.10179	0.8
171.11697	0.6
173.13336	0.6
180.11264	0.5
207.06758	0.5
221.22708	0.7
239.23692	23.3
240.24202	0.6
253.59683	0.5
257.24753	4.6
273.14777	1.2
275.20175	0.5
298.27734	0.6
313.27362	100.0
314.27802	2.5
331.28418	35.8
332.24136	0.5
332.28735	1.2
335.25815	0.7
403.14471	0.6
475.32544	0.6
636.39514	2.0
654.40576	1.2
672.41895	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	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
53.27259	0.6
55.05505	5.1
57.03203	0.5
57.03440	4.6
57.07076	41.5
61.02924	14.7
62.53515	0.6
67.05502	10.8
67.05847	0.4
69.03411	2.4
69.07068	7.5
70.40623	1.8
70.40981	0.9
71.04982	0.9
71.08629	32.5
73.02906	4.4
73.57954	0.5
74.86745	0.5
75.04472	1.9
79.05481	1.4
81.03397	0.7
81.07057	16.7
83.08621	10.9
85.02902	15.6
85.06556	0.7
85.10180	18.3
89.06013	1.1
91.03954	14.5
91.05476	1.2
93.07057	0.8
95.08606	23.3
97.02889	7.0
97.06509	0.7
97.10156	5.0
99.04430	1.0
99.11736	1.2
103.07556	1.7
107.08600	0.8
109.02818	0.7
109.09452	1.1
109.10157	13.7
111.11715	1.8
113.13316	0.6
115.03887	0.7
123.11691	3.9
125.13256	0.6
127.03911	5.2
133.10109	1.0
137.13242	2.0
145.04974	7.1
151.14877	1.0
155.19594	0.5
158.95171	0.6
163.06020	9.5
165.16426	0.8
203.12837	0.6
216.60698	0.7
221.22496	0.8
239.23692	24.2
257.24722	3.6
275.25790	0.9
313.27362	100.0
314.27652	1.3
331.28427	26.0
356.25522	0.7
475.32635	2.1
672.36823	0.7
673.41077	1.4
703.79938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
53.92075	0.5
55.01868	1.5
57.03437	1.2
61.02927	2.0
65.03930	2.5
67.05517	1.0
68.99792	1.2
69.03432	7.4
69.56461	1.1
69.56870	3.0
70.06597	3.2
71.04996	1.7
72.08157	0.5
73.02914	2.1
74.39793	0.6
79.05488	0.6
81.03416	6.0
81.07069	0.7
85.02908	17.1
87.00829	7.3
91.05484	100.0
93.03394	0.6
95.04989	0.5
95.08624	1.4
97.02892	9.1
98.97647	0.6
99.04468	2.4
105.01865	6.4
105.07036	1.3
107.04964	0.9
109.02883	6.0
117.01865	0.9
117.07052	0.5
119.04877	0.8
119.08613	0.7
121.06559	0.7
123.04482	0.7
127.03923	12.7
129.01869	1.2
133.06514	0.6
135.04436	0.9
136.07520	0.6
137.02357	1.2
137.05989	0.9
138.05544	0.9
143.05658	1.4
145.02907	0.9
145.04970	5.1
145.06531	0.5
147.02928	0.7
147.04401	1.2
149.02336	1.1
151.03932	1.6
159.02904	2.5
159.08098	0.6
161.06010	1.3
163.03926	1.3
167.03416	6.8
167.07115	0.8
175.03918	1.5
175.07597	0.8
177.05499	2.4
179.03377	4.1
189.05501	0.6
191.03410	3.3
193.08600	0.8
201.05438	0.7
203.03488	1.4
207.06581	0.6
207.13757	1.0
209.08075	0.7
213.03940	0.6
213.09248	0.5
215.03453	0.8
217.05164	0.6
217.08650	0.6
221.04460	0.9
231.05005	1.4
233.04477	3.3
239.06943	1.1
245.04466	3.7
245.08043	2.5
251.07063	2.0
257.08069	1.4
262.04803	0.9
263.05502	1.1
269.08084	12.7
275.05771	0.6
287.09164	1.2
293.08087	4.2
307.09872	0.9
311.09216	5.9
317.08218	1.2
335.09161	13.2
349.05682	0.8
353.10257	9.9
367.06546	0.8
385.07501	0.8
421.09192	1.1
439.10312	5.3
457.11380	3.9
475.12216	1.2
520.33875	0.6
557.26135	0.6
617.22070	0.5
644.46790	0.5
672.22156	0.9
680.41223	0.7
681.14825	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29460	3.4
53.03952	8.7
54.23742	3.2
55.01861	8.5
55.05514	40.3
57.03438	14.3
65.03945	7.2
67.05170	6.8
67.05508	89.1
68.99801	4.6
69.03426	15.3
69.07072	24.9
69.67294	12.1
69.67724	13.4
71.04997	8.9
79.05055	7.0
79.05495	77.9
81.03419	65.3
81.07059	75.0
83.04987	13.1
83.08591	16.6
85.02896	5.0
85.06553	5.4
89.06035	5.3
91.05479	83.2
93.07050	71.3
95.01331	4.7
95.04971	100.0
95.08598	47.1
97.02890	9.3
97.06512	5.9
97.10165	19.8
98.21538	6.0
103.05470	9.1
105.03398	3.3
105.07033	60.0
107.04981	25.8
107.08588	45.4
109.02875	5.8
109.06507	9.3
109.10159	21.4
111.04440	10.3
111.08096	5.1
115.05450	8.8
116.27568	3.0
117.07021	28.3
119.04938	6.1
119.08584	34.8
121.02893	8.9
121.06500	18.9
121.10148	28.0
123.04463	6.8
123.08057	9.2
123.11694	6.2
125.09670	9.3
128.06259	7.9
129.07004	23.2
130.07799	3.7
131.04947	14.4
131.08572	33.6
133.06490	15.9
133.10135	23.1
135.04428	5.6
135.08081	11.8
135.11693	17.1
137.02402	3.1
137.06047	2.9
137.09660	4.6
141.07022	5.4
142.07840	4.8
143.08549	18.2
144.47394	3.9
145.06552	17.6
145.10114	26.4
147.04410	15.3
147.08072	12.8
147.11670	18.8
149.06015	7.3
149.09605	10.5
149.13298	4.1
153.06953	4.0
155.08580	14.7
157.06502	6.3
157.10094	16.0
159.08072	11.3
159.11710	15.4
161.06013	16.3
161.09608	14.0
161.13219	4.0
163.11154	18.5
165.06972	5.9
165.81609	3.8
167.08604	10.2
169.10098	15.8
171.08070	11.3
171.11699	12.0
173.05994	10.4
173.09624	7.1
173.13278	6.6
174.06773	8.7
175.07532	4.9
175.11208	4.9
175.14828	3.9
177.12799	3.9
178.07599	3.7
179.08592	6.0
180.09357	4.3
181.10156	7.9
183.08060	5.2
183.11769	8.7
185.09589	5.5
185.13217	5.3
187.07526	7.6
187.14799	4.0
189.05504	9.9
189.09093	6.7
189.11189	4.5
189.12798	5.8
193.10272	3.8
193.12189	4.9
195.08147	4.7
197.09622	7.1
197.13177	6.6
199.11249	6.9
205.10379	3.4
205.12206	7.2
207.11655	8.3
209.13451	10.1
211.11124	4.1
211.14763	3.8
213.12840	5.7
221.13281	3.8
223.13142	5.5
229.14279	3.8
231.13869	5.5
255.13849	9.3
259.20490	5.3
264.89786	3.8
273.14890	41.0
283.13397	5.9
285.14667	6.0
289.14474	4.8
301.14325	37.3
303.15894	21.2
319.15445	13.0
321.16785	4.9
333.24316	7.6
335.25824	31.8
347.18600	4.7
347.71866	3.4
360.17126	3.3
365.13788	3.6
375.17877	8.9
377.19934	3.7
391.26376	5.3
393.19238	8.2
543.35010	4.0
561.35284	6.5
579.35974	3.8
602.34436	7.7
617.38239	11.2
623.39124	9.6
635.39404	48.4
653.40118	21.0
671.41425	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39135	3.6
53.03944	14.2
55.01865	15.3
55.05508	41.9
57.03429	13.5
57.07065	6.3
65.03934	9.1
67.05504	100.0
68.99755	3.5
69.03432	18.7
69.07071	31.9
71.04981	7.1
79.05492	75.4
81.03412	47.8
81.06590	4.8
81.07059	84.0
83.04973	13.9
83.08614	14.8
85.02905	8.0
91.04932	2.5
91.05476	70.4
93.07047	66.3
95.04973	76.5
95.08611	60.3
97.02872	10.1
97.06526	12.4
97.10154	18.9
99.04431	4.8
99.08113	3.8
102.47290	3.7
105.07034	57.1
107.04961	34.3
107.08598	40.4
109.02893	7.8
109.06499	18.9
109.10173	23.9
111.04441	10.4
111.08073	4.7
115.05434	10.5
117.07021	33.1
119.04913	4.6
119.08597	46.2
120.94662	3.7
121.02865	5.6
121.06487	13.4
121.10140	26.2
122.07286	4.0
123.04421	8.1
123.08100	10.0
123.76965	3.5
125.05967	5.1
125.09625	12.4
127.03856	3.9
128.06250	7.8
129.07024	20.3
131.04901	11.3
131.08559	30.8
133.06500	17.9
133.10124	25.9
135.08055	11.4
135.11720	14.7
137.06006	5.7
137.09621	7.8
141.06973	9.9
143.08563	19.1
145.06503	19.5
145.10139	24.1
147.04422	9.9
147.08047	13.4
147.11684	11.0
149.05989	8.8
149.09627	9.2
149.13239	6.0
157.10124	14.3
159.08092	13.8
159.11697	17.5
161.06001	10.9
161.09618	12.9
161.13220	5.7
163.11215	10.5
167.08640	4.7
169.10127	10.4
171.08107	6.7
171.11610	8.1
173.09625	5.9
173.13232	5.4
174.06763	5.5
175.11140	6.7
181.10068	6.4
183.11719	7.9
185.09567	7.3
185.13219	9.5
187.11192	4.1
193.10220	6.3
193.12117	4.8
195.11800	5.6
199.11354	5.0
199.14777	3.8
201.12839	6.7
205.12207	10.5
209.09624	4.2
209.13257	5.8
211.14729	5.5
223.13261	6.2
233.15381	6.4
235.25168	4.0
259.20599	6.7
273.14828	15.8
273.18478	14.1
286.86990	4.4
289.18109	4.7
291.19589	30.1
301.14444	19.3
303.15952	9.3
319.15387	11.2
335.25705	21.3
335.93716	4.2
349.20978	5.7
351.22885	5.4
375.18188	9.5
383.24106	5.7
393.18985	8.2
460.28339	4.1
581.36890	4.8
597.37421	4.6
617.37805	7.6
623.39319	7.2
625.37384	15.8
635.39435	27.6
653.40332	24.0
671.30890	5.6
671.41382	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13051	0.2
53.03931	0.6
55.01862	0.8
55.05499	0.5
57.03429	0.7
57.79449	0.2
61.02907	0.8
65.47712	0.2
67.03654	0.2
67.05495	1.3
68.99810	0.4
69.03431	2.4
69.46362	2.1
71.04984	0.6
73.02905	0.5
78.04694	0.9
79.05502	1.3
81.03425	2.6
81.07046	1.0
83.04956	0.2
85.02904	6.2
87.00827	2.2
91.03954	0.3
91.05472	1.7
93.07024	0.8
95.04955	1.0
95.08590	0.6
97.02882	2.7
98.63776	0.3
99.04444	0.9
103.05504	0.4
105.01849	1.3
105.07035	2.6
106.04131	0.4
107.04952	1.9
107.08596	0.8
108.04519	0.3
109.02866	2.2
109.10124	0.7
111.04429	0.6
115.05427	0.8
117.01854	0.3
117.06981	0.7
119.04945	0.6
119.08576	0.5
121.06496	0.6
121.10148	0.3
123.04439	1.9
124.05183	1.0
127.03909	3.8
129.01755	0.4
129.06973	0.2
131.04897	0.3
131.08534	0.4
133.06480	2.6
133.10165	0.5
135.08044	0.4
137.05957	0.5
139.73380	0.3
143.05737	0.5
144.05708	0.3
145.04953	0.8
145.06494	1.0
147.04387	0.6
147.08038	0.8
149.05971	0.8
149.09662	0.2
149.13251	0.2
151.03960	0.3
152.04665	0.6
157.06531	0.4
159.02916	0.7
159.52330	0.2
161.05978	2.3
163.07524	0.8
167.07037	100.0
168.07350	0.4
171.97353	0.2
173.06033	0.9
173.11742	0.3
175.07552	0.6
177.05482	0.8
178.06203	0.3
179.07050	0.5
181.08562	1.7
187.07555	0.4
190.06279	0.6
190.58525	0.3
191.06987	0.3
193.08609	20.4
195.10132	0.7
199.04004	0.3
199.07593	0.4
205.08620	1.9
207.06564	0.7
207.10121	1.2
209.08147	0.6
209.17958	0.2
211.09647	18.7
213.09254	0.2
217.08623	0.6
221.08044	0.6
223.09599	0.8
229.14339	0.5
231.05014	0.7
231.10379	0.3
233.08035	0.5
235.09666	2.3
239.09132	0.4
251.09189	1.5
253.10757	0.9
259.09705	0.9
269.07947	0.4
277.10745	0.7
283.06000	0.9
284.06458	1.1
287.05640	0.3
289.10788	0.3
295.11755	0.4
301.10663	2.3
319.11774	2.8
337.12885	1.0
361.10529	0.8
362.11066	1.1
374.16077	0.3
394.13284	0.3
405.11707	0.7
423.12955	0.5
455.26068	0.3
547.19147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
53.26701	0.8
55.01876	2.1
55.05514	8.2
57.03180	1.5
57.03437	13.4
59.04992	3.6
61.02925	2.4
62.19746	0.7
64.75549	0.8
65.03944	2.1
67.05509	74.9
69.03428	5.6
69.07060	4.7
70.06596	1.2
70.91772	0.7
70.92184	2.7
71.04993	4.3
75.48736	0.8
78.44887	0.7
79.05492	9.6
80.58904	0.8
81.03424	57.1
81.07059	16.1
83.04976	3.9
83.08620	16.2
85.02902	2.8
85.06544	2.5
89.03921	1.0
91.05484	18.3
93.07056	9.3
95.04976	18.0
95.08610	10.1
97.02893	3.8
97.06537	2.1
97.10162	1.8
98.06028	0.8
99.08080	0.9
103.36774	0.8
104.59265	0.7
105.07031	10.6
105.07683	0.9
107.04953	4.5
107.08576	5.4
109.02877	1.7
109.06536	3.5
109.10163	71.8
110.10519	0.9
111.04453	1.4
111.08091	7.9
115.05465	1.3
117.03380	0.9
117.07028	2.2
118.04090	0.8
119.04977	2.3
119.08598	14.8
121.06512	2.9
121.10169	6.2
123.04452	1.8
123.08103	1.8
123.11691	1.4
125.09646	1.5
127.03958	1.8
129.07022	4.3
131.08603	6.0
133.06470	2.1
133.10161	6.8
135.04362	1.0
135.08078	1.0
135.11667	1.2
137.06007	2.1
137.09619	4.2
142.07822	2.0
143.05623	1.3
143.08641	1.0
145.02846	1.4
145.10127	2.2
147.04379	2.1
147.08035	2.1
147.11694	6.2
149.09637	4.0
153.84317	0.8
155.10648	4.0
157.10156	8.6
159.11685	1.1
161.09657	1.1
163.11177	1.4
165.12776	0.9
167.07132	2.5
173.11737	21.0
175.03932	2.2
175.11182	5.9
177.05502	3.0
193.12260	18.2
193.13887	1.5
205.12375	0.8
207.06526	3.5
211.13345	1.7
220.48894	0.8
229.14371	96.3
248.68364	0.8
249.14903	1.9
267.15933	85.9
268.16382	1.0
287.05396	1.8
288.05954	1.4
301.07037	2.0
329.21146	2.8
347.22037	1.2
403.24783	9.8
421.25882	100.0
422.26138	2.7
463.26828	2.2
529.27789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.8
59.81099	0.5
61.71080	0.5
63.35395	0.5
67.05499	2.2
69.07066	0.9
77.17754	0.6
79.05501	3.1
79.22803	0.5
81.03445	0.6
81.07069	2.1
82.01529	0.5
91.05507	2.2
93.07039	2.9
95.08624	1.7
105.07043	1.6
107.08579	1.3
119.08616	1.0
121.10188	0.7
129.06987	0.6
131.08604	1.0
133.10127	1.0
135.11719	0.6
145.10120	0.8
229.28381	0.6
239.70769	0.5
264.36456	0.6
266.76053	0.5
267.13263	0.7
317.20844	3.8
333.24207	0.6
363.17712	0.8
373.23392	4.9
450.66202	0.6
488.36523	0.6
597.38477	1.1
657.55811	0.6
667.45422	100.0
668.45654	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	667.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80500	0.6
57.03440	0.6
65.39543	0.6
68.66599	0.5
69.03412	2.0
69.07064	1.3
70.06593	0.8
70.66879	2.1
74.25375	0.6
76.81319	0.5
76.97488	0.6
79.05447	0.7
81.03389	0.8
81.07030	0.9
84.08153	0.6
85.02902	2.1
90.75646	0.5
91.05461	1.4
93.07046	1.1
94.06537	1.5
95.04986	0.8
97.02861	2.0
101.07155	1.5
105.07050	0.7
106.06528	0.7
107.04959	0.8
107.08553	0.9
109.02886	0.8
111.04401	0.6
115.03933	0.8
119.05001	1.0
120.08076	0.8
121.08907	0.6
122.06010	3.4
123.04448	0.8
127.03902	1.9
134.05945	0.7
135.04391	2.0
136.07588	6.3
137.02350	1.3
137.05994	2.1
138.05489	1.0
140.07063	5.8
143.05638	5.7
145.02873	0.8
146.06015	2.0
146.09653	0.7
147.04353	1.2
148.07587	1.8
152.07069	0.8
153.01814	4.0
154.04974	0.6
154.08629	0.8
163.03857	0.6
164.07076	11.9
166.08659	7.3
167.07092	1.8
171.02853	1.6
172.03902	1.5
174.05544	2.0
175.03891	1.5
175.07518	0.5
176.07007	3.3
177.05473	2.0
179.03441	0.6
181.04980	0.8
190.04926	1.1
192.06554	0.7
201.20187	0.6
204.06529	3.1
206.08165	1.3
207.06488	3.0
208.06819	0.6
210.11539	1.7
211.08618	0.6
213.10185	0.7
223.12309	0.8
224.13181	0.8
225.10141	0.7
227.11804	1.0
235.08470	0.6
236.13017	0.7
237.10283	3.0
237.13820	1.4
238.10971	3.5
239.11678	4.0
240.12663	0.7
241.04974	0.8
248.09500	1.3
249.10237	2.4
250.10957	2.6
251.11884	4.9
252.12460	1.1
253.13345	1.3
255.11296	0.7
261.12653	0.6
263.11816	10.8
264.12476	1.6
265.09763	3.7
265.13345	13.5
267.11176	1.7
269.12823	1.2
271.06067	1.5
271.14398	1.0
277.09714	1.7
277.13110	0.8
278.10342	1.2
279.11285	22.6
280.11929	2.0
281.12616	0.7
282.13647	1.4
283.10709	0.7
285.12283	1.4
287.05502	100.0
287.13980	2.5
288.05847	4.1
291.11237	4.3
292.11917	1.1
293.12811	4.1
295.10742	4.6
295.14069	0.9
296.11575	1.6
297.12326	12.0
298.13156	1.5
303.13754	0.8
309.12354	27.3
310.13110	9.9
311.13864	10.2
312.14627	1.7
313.11758	2.0
313.15369	0.9
315.13333	0.9
319.10583	3.9
320.57819	0.6
321.12253	2.1
323.10287	0.7
331.12854	0.9
337.11804	37.0
338.12659	10.4
339.13379	10.8
345.14328	1.9
369.14453	25.6
369.19107	1.2
370.15295	5.0
371.15936	9.3
373.13779	0.8
399.16110	1.2
400.16434	1.1
401.13538	1.3
416.15619	0.6
417.16364	0.7
418.17679	0.7
434.16745	1.4
452.21814	17.9
458.17007	1.9
476.18051	2.5
478.19766	14.9
481.66318	0.7
494.19110	2.8
495.20035	0.7
496.20709	2.3
510.22366	52.5
511.22769	1.2
535.10443	1.2
575.25067	1.6
599.24738	5.1
607.26556	0.7
617.26196	5.0
626.48767	0.7
631.27545	0.9
635.27075	12.0
636.25836	0.7
667.29175	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	667.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	3.2
69.97710	1.2
69.98112	2.3
74.06068	1.2
79.05481	1.3
81.07060	1.1
85.02872	1.0
87.05358	0.7
91.05500	1.3
93.07076	1.2
94.06554	3.5
95.04933	0.8
98.21419	0.9
106.06548	2.4
108.08125	1.6
110.06005	1.6
112.07569	0.7
120.08090	2.1
122.06032	9.1
123.04398	0.9
124.07600	0.7
134.05981	0.8
136.07576	18.0
137.05939	1.1
138.05524	0.9
140.07063	14.2
143.05591	1.0
146.06001	4.5
146.09599	1.5
147.04404	0.8
148.07568	7.7
152.07085	2.8
162.09096	1.0
163.03889	0.7
164.07062	39.9
164.21817	0.9
166.08632	22.5
172.03952	2.3
172.79649	0.8
174.05505	6.1
175.03960	0.8
176.07047	12.8
176.42470	0.7
177.05356	0.6
190.04953	3.4
192.06523	1.3
197.10789	1.0
204.06502	1.8
207.06435	1.2
208.09712	1.3
209.10648	1.1
210.11507	2.4
211.10472	0.8
211.12350	2.7
218.08170	1.4
221.10719	0.8
222.11528	1.2
223.08650	0.8
223.12346	3.2
224.09346	1.2
224.13086	1.7
225.10277	2.3
225.13806	1.4
226.10944	0.8
227.11961	0.9
235.12291	3.1
236.09373	1.1
236.12877	1.2
236.31308	0.6
237.10184	5.3
237.13914	3.0
238.10963	9.3
239.11781	13.8
240.12488	1.1
241.09761	0.9
243.11278	0.8
247.12106	0.9
248.09416	1.1
249.07860	0.8
249.10141	4.1
250.10977	2.7
251.11790	10.4
252.08757	0.7
252.12556	2.0
253.09799	0.8
253.13390	5.1
261.12372	2.0
263.11807	8.8
263.27539	0.7
264.09009	1.3
264.12567	2.2
265.09833	3.5
265.13391	19.0
266.10446	1.4
266.14117	1.1
267.11404	3.5
267.14731	0.8
268.12091	0.9
269.12808	4.2
271.10715	1.2
271.14401	2.4
273.12335	0.8
275.11853	1.3
277.09735	3.2
277.13297	1.9
278.10678	2.9
279.11264	69.3
280.11920	5.5
281.12854	3.8
283.10992	1.9
283.14490	2.6
284.15091	0.8
285.12354	3.5
287.05597	3.6
287.13892	9.9
291.11258	4.3
293.12796	7.5
294.13580	1.8
295.10922	4.0
295.14145	1.3
296.11749	2.8
297.12320	29.9
298.13116	4.4
299.13834	1.2
305.14954	3.5
309.08740	1.4
309.12326	24.4
310.13104	13.2
311.13882	49.6
312.14658	7.9
313.11829	7.6
313.15466	4.7
315.13632	0.8
316.14621	0.8
319.10760	3.2
321.12326	6.4
323.10150	1.7
323.16052	1.0
324.11166	2.5
325.11957	2.1
330.16022	1.1
331.12991	3.2
337.11795	56.8
338.12570	14.5
339.13406	37.4
340.14325	2.0
355.12961	0.8
356.13870	1.0
357.14807	1.3
369.14505	7.9
370.15375	2.6
371.15967	12.4
373.13876	2.4
374.14758	1.4
388.16119	1.0
390.18350	1.1
398.14981	1.4
399.15814	2.7
400.16742	3.8
401.13483	4.6
408.18875	1.2
416.15930	2.0
417.16467	1.4
418.17621	1.5
434.17090	2.8
440.16312	1.0
450.20404	2.6
452.21811	100.0
453.22156	2.6
458.17279	5.4
459.17990	1.5
460.20377	1.1
476.18051	6.5
477.18890	1.1
478.19742	30.0
479.20261	1.0
480.21481	2.3
484.09229	0.8
494.19214	9.6
495.19952	2.5
496.20923	6.2
510.22348	16.4
544.00342	0.7
573.26947	1.6
575.25110	2.6
591.27863	1.5
599.25085	8.4
617.26007	15.3
635.27081	42.5
636.27771	0.9
667.30151	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	667.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86526	0.1
57.03438	0.4
61.02917	0.2
65.90665	0.1
67.01862	0.5
68.99814	0.3
69.03432	1.0
70.06578	0.1
73.02916	0.7
81.03417	0.5
83.04960	0.2
85.02911	1.3
86.09721	0.3
87.00848	0.2
87.04468	0.1
91.05466	0.2
93.07016	0.2
95.86343	0.1
97.02884	0.8
99.04488	0.2
105.01877	0.2
105.06965	0.2
107.04979	0.3
109.02878	0.5
111.04432	0.2
115.03963	0.3
119.04931	0.3
127.03920	0.6
129.01826	0.3
131.97438	0.1
135.04419	1.5
137.02351	0.6
137.05991	0.3
140.07069	0.3
143.05650	5.2
143.06779	0.3
145.02846	0.2
145.04939	0.3
146.06039	0.1
147.04414	0.2
151.03935	0.2
153.01836	3.8
153.05348	0.1
159.06586	0.1
161.02364	0.4
161.05916	0.3
163.63831	0.1
167.07068	0.4
171.02928	0.8
171.04234	0.2
172.04036	0.3
175.03877	0.2
177.05470	0.4
179.03329	0.2
183.06387	0.1
189.03893	0.2
204.06546	0.4
205.06876	0.2
206.08087	0.2
207.06520	0.3
208.14496	0.1
239.11861	0.1
241.04919	0.5
245.04434	0.2
269.04465	0.4
279.11163	0.2
286.04498	0.2
287.05505	100.0
288.05881	1.2
295.10995	0.2
303.13626	0.2
309.12195	0.2
311.90347	0.2
329.06534	0.2
337.11768	0.3
345.14532	0.3
346.14951	0.2
369.14233	0.3
373.09814	0.1
415.15201	0.2
416.15536	0.1
417.16125	0.2
434.16373	0.1
449.11050	0.3
475.16910	0.3
476.17218	0.3
510.22137	0.5
520.51227	0.2
533.48248	0.1
535.10364	1.1
581.14618	0.4
616.24640	0.5
617.25165	0.8
667.14764	0.9
667.24854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
53.82428	0.2
55.01879	0.4
55.05503	0.3
56.96572	0.3
57.03435	0.6
58.86184	0.3
61.02919	0.6
61.52304	0.2
67.05511	1.4
69.03430	1.1
69.07069	0.9
70.06583	0.4
71.04987	0.4
71.61176	0.4
73.02911	0.8
78.05635	0.2
79.05510	0.7
81.03413	1.0
81.07054	1.5
83.04972	0.3
83.08584	0.3
85.02913	1.3
86.09721	0.4
89.02409	0.2
91.05479	1.4
93.07036	0.9
94.07291	0.2
95.05000	0.7
95.08638	1.3
97.02876	0.9
97.06509	0.4
99.04443	0.3
105.07053	1.2
107.04995	0.4
107.07347	0.3
107.08556	0.5
109.02891	0.5
109.10138	0.7
110.06052	0.3
115.08566	0.3
117.03412	0.3
118.06535	1.8
119.04944	0.8
119.08562	0.7
120.08102	0.3
121.06496	0.3
121.10128	0.6
122.06068	0.4
123.04477	0.3
124.03974	0.3
124.07635	0.3
127.03917	0.7
128.06256	0.3
130.06529	0.8
131.07306	0.7
131.08621	0.3
132.08072	1.4
133.02859	0.3
133.08926	0.2
133.10109	0.6
136.06178	1.6
137.05983	0.7
143.05658	2.3
143.07294	0.3
144.08081	0.6
145.02824	1.3
145.10052	0.6
146.03156	0.3
146.09627	2.0
147.04433	1.2
147.11690	0.3
149.05959	0.4
151.03941	0.3
151.09955	0.4
158.09669	0.4
160.11147	0.2
161.06033	0.3
161.09668	0.3
162.09134	4.1
163.07527	0.4
164.10628	0.3
167.07066	1.1
174.09122	0.4
175.03986	0.8
175.07533	0.4
176.10710	4.7
177.05490	1.8
177.06848	0.3
177.11520	0.8
181.05081	0.5
188.10661	0.4
189.11057	0.2
190.12263	6.7
191.12703	0.3
192.10223	0.6
193.12317	0.4
201.05574	0.3
202.15848	0.3
204.13884	1.1
205.42372	0.2
207.06566	1.1
218.15512	0.6
220.13411	0.4
224.76971	0.3
228.17450	0.5
232.16992	0.9
246.18608	1.1
250.47426	0.3
256.17004	0.7
260.20114	0.7
267.15677	0.3
271.06012	1.7
272.06439	1.3
274.18048	0.3
274.21432	0.3
287.05493	2.6
304.19202	0.4
306.20755	0.4
318.20572	1.4
320.21939	0.3
324.26974	0.8
332.22067	0.7
340.26282	2.0
356.25711	0.6
358.27600	0.4
360.25296	0.4
368.25858	4.8
386.26883	2.8
402.30081	0.4
418.29507	3.9
430.29755	1.1
442.29868	1.1
448.30606	13.9
460.30634	1.0
474.32324	0.3
486.28433	0.5
488.33722	1.8
504.33310	9.6
525.19421	0.6
616.24286	0.4
666.38470	100.0
667.23444	0.4
667.38306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.3
53.03941	5.3
55.01872	13.7
55.05268	2.6
55.05508	26.7
56.33651	1.8
57.03438	10.9
59.04997	2.9
61.02917	4.7
65.03928	5.6
67.05504	100.0
69.03086	2.8
69.03428	28.8
69.07071	18.3
71.01336	2.7
71.04993	10.4
71.60148	2.0
73.02913	2.6
79.05067	3.5
79.05493	41.0
81.03417	45.4
81.07059	53.7
83.04980	17.4
83.08609	13.3
85.02912	12.8
85.06544	4.8
87.04485	2.7
91.05481	39.8
93.07044	38.7
95.04977	15.6
95.08611	30.3
96.13798	1.7
97.02894	13.7
97.06519	11.9
97.10148	12.3
99.04456	6.3
99.08131	2.9
101.02419	2.2
103.88403	1.9
105.07033	28.4
107.04958	12.0
107.08600	26.3
109.02890	12.2
109.06529	12.8
109.10159	56.6
111.04436	8.2
111.08084	6.1
115.05438	3.4
117.06994	10.9
119.08583	26.7
121.06551	5.2
121.10142	12.7
123.08020	5.2
123.11694	4.7
125.09641	11.5
127.03941	11.3
128.13181	2.0
129.05470	7.1
129.07019	5.0
131.08562	16.7
131.49814	2.0
133.06488	4.2
133.10133	19.0
135.08064	6.1
135.11687	6.6
137.09612	8.0
141.06998	3.1
142.07751	2.1
143.08578	6.5
145.04993	2.1
145.06493	2.3
145.10132	20.1
147.06947	2.1
147.08037	3.7
147.11674	13.1
149.09622	12.2
149.13275	5.1
151.11174	6.2
152.40372	2.1
155.08578	5.1
155.10620	3.0
157.10106	6.4
159.08090	2.6
159.11700	11.8
161.09596	4.9
161.13211	5.1
163.11171	7.3
165.12846	2.4
169.10117	4.7
171.10243	1.9
171.11676	6.3
173.04471	5.7
173.09586	2.8
173.11736	19.7
173.13184	4.0
175.11206	4.1
177.12733	4.2
179.10652	2.7
179.14278	2.1
183.11673	3.0
185.13223	2.7
187.11237	2.1
189.11246	7.8
189.12784	3.0
195.11749	2.2
197.13284	4.0
213.12898	1.9
227.12823	9.4
229.14342	23.8
229.19545	4.2
245.13852	3.0
247.20499	4.7
257.19092	10.2
271.06024	25.4
272.06390	2.2
275.20062	52.3
287.19870	3.4
293.21188	4.9
299.14789	4.1
319.74783	2.0
341.21213	2.1
349.23788	19.8
351.93729	2.0
355.18433	10.8
373.18640	11.5
383.21652	2.2
419.24609	2.3
485.32266	3.1
501.11292	1.9
503.33621	28.1
521.34851	3.4
567.31067	2.7
629.36267	3.0
647.38007	18.9
665.37390	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31540	0.4
53.03946	0.9
55.01863	1.2
55.05509	3.3
55.27122	0.4
57.03428	1.7
57.05392	0.4
61.02927	3.2
65.03924	1.0
67.05505	12.2
67.75901	0.4
69.03436	4.3
69.07076	2.9
69.36745	1.0
69.37141	4.2
71.04975	2.1
73.02920	2.7
79.05487	5.2
81.03420	5.8
81.07059	11.6
83.04980	2.5
83.08609	2.2
85.02905	4.5
85.06537	0.7
91.03951	2.4
91.05483	5.1
93.07039	8.2
95.04960	2.5
95.08617	4.0
97.02905	3.5
97.06520	1.8
97.10198	0.7
99.04461	1.7
101.02413	1.3
105.07028	3.9
107.04972	1.1
107.08601	4.7
109.02891	1.4
109.06516	1.2
109.10168	5.6
111.04449	0.6
111.08070	1.1
117.07046	1.8
119.08562	2.1
121.10169	2.9
123.08047	0.9
123.11692	0.6
125.09625	0.6
127.03918	2.3
129.07007	0.5
131.08582	2.5
133.10136	2.3
135.08067	0.6
135.11719	1.4
137.09627	0.8
143.08574	0.8
145.04930	0.5
145.10124	1.3
147.11703	1.5
149.02414	0.6
149.09648	1.0
149.13242	3.3
151.11154	0.6
157.10173	0.6
159.11670	2.5
161.09650	0.8
163.11244	0.7
173.04478	0.9
173.11743	1.2
173.13156	0.4
177.12762	0.6
187.14723	0.5
195.13821	0.8
227.12866	0.5
228.29109	0.4
229.14407	1.7
235.13104	1.4
235.38885	0.4
243.08458	2.0
257.19077	0.9
269.11316	0.5
269.17514	0.7
271.06079	3.6
271.13855	0.5
272.06406	0.6
275.20078	4.2
291.15677	1.3
349.23865	1.3
453.20938	13.5
503.33929	2.6
528.34741	0.5
647.37701	1.3
665.35052	100.0
666.35510	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	665.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01878	1.2
55.05510	4.1
57.03423	2.2
61.02923	4.1
65.03934	0.7
67.05503	15.7
69.03426	5.4
69.07063	3.7
71.04984	1.7
73.02933	3.1
79.05495	7.5
81.03416	6.8
81.07061	13.4
83.04978	2.5
83.08619	3.4
85.02901	4.2
85.06534	1.1
91.03978	2.6
91.04582	0.6
91.05471	5.6
93.07040	8.3
95.04966	2.5
95.08607	6.2
97.02908	5.2
97.06517	2.2
97.10160	1.4
99.04454	1.0
99.08138	0.8
101.02394	1.3
105.07034	4.3
106.83101	0.5
107.04948	1.3
107.08594	4.6
107.91961	0.6
109.02872	1.7
109.06558	1.1
109.10158	6.0
111.04430	1.2
111.08065	1.6
113.06031	0.6
117.07019	2.5
119.08600	3.6
119.30868	0.5
121.06492	0.9
121.10127	3.6
121.15198	0.6
123.08068	0.9
123.11717	1.1
125.09676	1.5
127.03915	3.8
129.05475	0.6
129.06996	1.0
131.08578	2.2
133.10117	3.4
135.08046	1.0
135.11673	2.4
137.09598	0.8
139.11113	0.6
143.08571	1.1
145.04878	0.5
145.06499	0.6
145.10138	1.9
147.08122	0.6
147.11676	1.9
149.02310	1.0
149.09563	0.8
149.13295	3.9
157.10165	0.7
159.11699	2.1
161.09608	0.8
169.10098	0.7
171.11705	0.8
173.04471	1.3
173.11739	1.8
173.13226	0.8
177.12666	1.0
195.13840	1.2
206.44247	0.6
227.12828	1.3
229.14436	2.2
235.13121	1.7
243.08405	1.7
257.19153	1.1
269.17337	0.7
271.05991	8.2
275.20016	4.2
293.21082	0.6
307.41293	0.5
349.23743	1.9
373.18826	1.1
416.69345	0.6
423.27420	0.6
453.20966	13.2
503.34085	2.8
647.37518	1.3
665.35016	100.0
666.35529	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	665.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01856	0.8
55.05502	1.6
57.03430	1.5
61.02916	3.4
62.63726	0.4
63.03615	0.6
65.03937	1.0
66.92567	0.4
67.05503	7.0
69.03433	2.6
69.07068	1.9
69.81319	2.7
71.04993	0.5
71.89158	0.4
73.02917	3.1
74.29211	0.4
77.64848	0.4
79.05484	3.4
81.03418	2.9
81.07050	6.8
83.04978	1.5
83.08629	1.4
85.02908	4.1
85.06577	0.5
87.04472	0.5
91.03936	2.0
91.05481	3.6
93.07053	4.5
95.04984	2.3
95.08607	2.7
96.91387	0.4
97.02893	4.1
97.06532	1.1
97.10189	0.8
99.04478	0.8
101.02396	1.6
101.97485	0.4
105.07033	2.6
107.04948	0.5
107.08572	2.8
109.02867	1.0
109.06512	0.9
109.10146	2.4
111.08085	0.7
117.07027	1.3
119.08618	1.8
121.06528	0.5
121.10155	1.6
123.11691	0.7
123.92304	0.4
125.09679	0.6
127.03908	1.4
129.07010	0.5
131.08601	1.5
133.10129	2.2
135.08063	0.6
135.11702	1.5
137.09621	0.5
139.03833	0.4
143.08630	0.4
145.10165	0.8
147.11687	0.9
149.02348	4.1
149.09628	0.9
149.13289	1.5
154.22409	0.4
157.10146	0.7
159.08118	0.5
159.11728	1.5
163.03859	0.5
164.68515	0.5
169.10172	0.4
173.09627	0.5
173.11752	0.6
177.12767	1.0
185.04187	0.5
187.11151	0.5
193.04982	2.4
195.13867	1.5
203.05415	0.5
218.08447	0.4
229.14384	0.5
235.13124	1.7
243.08432	1.4
269.17456	1.3
271.06055	5.8
275.20074	0.7
291.15860	0.7
349.24240	0.6
352.93921	0.4
453.20966	15.8
577.13629	0.8
647.37189	0.7
665.35046	100.0
666.35223	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	665.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18349	0.4
53.03953	1.1
53.11950	0.4
55.01851	0.5
55.05515	2.9
57.03436	2.0
61.02921	3.8
63.30614	0.4
65.03948	0.7
67.05505	7.7
69.03419	2.6
69.07063	1.9
71.04984	1.1
71.60707	0.8
72.69478	0.4
73.02931	2.8
79.05492	4.6
81.03430	2.9
81.07056	7.0
83.04993	1.9
83.08624	1.4
84.96410	0.4
85.02901	5.0
85.06570	0.7
91.03960	2.7
91.05473	3.6
93.07039	4.4
95.04951	2.5
95.08589	2.6
97.02889	3.4
97.06558	1.0
97.10181	0.8
99.04457	1.0
101.02390	1.5
105.07030	2.2
107.04936	0.7
107.08601	2.6
109.02887	1.4
109.06470	0.7
109.10147	3.0
111.04428	0.7
111.08065	0.7
117.07024	1.4
119.04916	0.6
119.08601	1.6
121.10159	1.9
123.11681	0.5
125.09597	0.6
126.87521	0.5
127.03937	1.9
129.06978	0.6
131.08568	1.9
133.10133	1.8
135.08075	0.6
135.11700	1.4
137.05948	0.6
143.08658	0.5
145.04987	0.5
145.10075	0.7
147.11809	0.5
149.02344	0.7
149.09607	0.7
149.13240	2.3
157.10127	0.5
159.11720	1.8
163.11160	0.6
167.07028	1.6
173.11714	0.6
173.13322	0.5
175.03941	0.5
177.12743	0.7
184.62207	0.4
195.13809	1.9
215.11247	0.5
235.13040	2.2
243.08344	2.2
269.17636	1.4
271.06021	5.9
271.13889	0.5
275.20135	1.8
349.23611	0.9
453.20959	17.8
503.33282	0.5
541.83032	0.5
629.36945	0.5
665.35065	100.0
666.35339	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	665.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35174	0.2
67.05513	0.7
69.03427	0.7
69.07059	0.7
70.67230	0.3
71.14606	0.4
71.14948	0.4
73.39246	0.2
77.85121	0.2
81.03433	0.5
81.07041	0.3
83.01371	0.2
83.05009	0.3
84.08145	0.5
85.02903	1.0
91.05468	0.9
91.69037	0.2
93.07046	0.4
94.06583	0.9
95.04958	0.7
95.08586	0.4
97.02905	0.4
105.07008	0.5
107.04988	0.5
108.08173	0.5
109.02880	0.8
110.06045	0.5
111.04407	0.3
118.06556	0.3
119.08511	0.3
120.04492	0.7
121.05228	0.4
122.06040	2.4
124.07635	0.5
126.05531	0.9
127.03902	0.5
131.08591	0.5
132.08070	0.9
134.06024	0.5
136.07600	0.5
137.02394	0.3
137.05988	0.7
138.05531	0.3
140.07051	1.0
143.05649	2.4
145.02820	0.4
146.06027	0.9
147.04430	0.8
148.07588	0.4
150.05539	0.3
154.04985	0.7
160.07617	1.0
161.06000	0.4
164.07115	1.0
165.01749	0.4
166.08633	0.5
167.07089	0.8
172.04001	0.3
172.07675	0.5
174.05508	0.7
174.09370	0.3
175.04041	0.6
175.08699	0.8
176.07083	0.6
177.05544	1.3
184.07860	0.4
186.09143	0.5
190.04997	0.7
192.06679	0.3
192.10257	0.5
197.10672	0.4
198.07945	0.4
199.08667	0.8
201.10393	0.3
204.06630	0.9
206.08025	0.5
207.06581	0.7
209.10567	0.3
211.08598	0.9
213.10248	1.8
214.08723	0.4
215.08286	0.4
215.11778	0.3
216.10104	0.4
218.08182	0.3
221.10837	0.6
222.11546	0.3
223.08690	0.7
223.12341	0.8
223.63414	0.3
224.09402	0.5
225.10146	2.0
226.10980	0.4
227.08072	0.5
227.11803	0.4
235.08723	1.0
236.09491	0.9
237.10237	2.4
238.11003	0.6
239.08066	0.4
239.11827	1.0
241.09641	0.6
247.08783	0.3
248.09517	0.9
249.10251	6.9
250.10963	3.0
251.08180	2.9
251.11772	6.1
252.08847	0.4
252.12617	0.6
253.09767	0.7
253.13408	1.2
254.10678	0.3
255.11284	0.3
257.08975	0.4
257.12982	0.4
259.10880	1.4
261.10242	1.1
261.12750	0.4
262.11038	0.6
263.08890	0.4
263.11761	4.6
264.12515	1.2
265.09824	1.5
265.13403	3.1
266.10455	0.6
266.14075	0.6
267.11380	0.6
269.12961	0.4
271.06009	3.2
271.10638	0.3
273.12424	1.2
275.11884	0.9
276.12512	0.4
277.09787	0.9
277.13373	0.9
278.10440	1.2
279.11282	2.3
280.11887	0.4
281.09317	0.5
281.13071	0.5
283.10806	3.0
284.11441	0.4
285.09186	0.3
285.12350	1.2
287.05637	0.5
287.10248	0.3
289.13379	1.3
291.11349	1.4
291.14798	0.6
292.11838	0.4
293.12952	0.9
295.10791	0.8
296.11652	0.8
297.12354	2.0
298.10400	0.3
298.13443	0.5
299.05508	4.8
300.05838	4.4
301.06097	3.9
301.12494	0.4
302.12970	0.5
303.10950	0.6
303.14294	0.4
304.14691	0.3
305.12723	0.4
307.10773	0.4
309.12323	3.9
310.13113	1.0
311.10886	0.4
311.13934	2.6
312.11758	0.4
313.12506	0.9
314.12991	0.4
315.10907	0.3
315.14462	0.4
316.11060	0.5
316.14615	0.7
317.12646	0.8
319.13361	0.6
323.14053	0.6
327.14417	0.6
328.14401	0.9
329.12195	0.5
329.15939	0.6
330.12531	1.5
330.16089	0.8
331.13541	0.4
331.17102	0.4
335.13818	0.3
337.11731	0.8
338.12460	0.7
339.13556	1.3
341.12521	0.4
342.12549	1.3
343.13773	0.5
344.13995	1.6
344.17719	0.5
345.14694	1.2
346.15564	0.7
349.11966	0.3
354.12198	0.4
354.16068	0.5
355.11972	1.1
356.13431	2.4
357.12277	1.2
357.15771	0.8
358.11707	0.5
358.15833	1.5
360.13223	0.4
360.17117	0.8
362.15112	0.5
363.13284	0.7
369.14621	3.7
370.15622	0.7
371.16531	1.7
372.13226	0.6
372.17133	1.0
373.14529	0.9
374.15039	1.0
376.13086	0.4
382.15503	1.0
383.13977	1.0
384.13202	0.6
384.17328	0.8
385.14728	0.6
386.15042	2.2
387.15634	1.2
388.16690	0.9
396.16547	0.5
398.14935	0.3
399.15860	0.4
400.16644	4.5
401.14560	1.0
402.18140	1.3
403.16537	1.9
404.16183	1.2
410.14920	0.5
411.13510	0.3
412.16443	0.4
414.14825	0.6
415.12955	0.5
416.15869	1.0
417.17337	0.3
418.17838	1.5
419.16031	1.3
428.16006	2.5
429.14468	0.8
430.17508	1.4
431.15619	0.4
432.15424	0.5
433.16382	0.4
434.16879	0.7
435.17682	0.5
446.17133	8.5
447.17712	2.4
448.18814	1.8
456.15363	1.9
457.14688	0.3
464.18134	5.7
465.18884	0.7
474.16537	2.7
475.17136	0.5
488.18048	0.7
489.19095	0.4
490.19711	0.4
492.17636	3.3
506.19281	4.2
507.18420	1.0
508.20703	1.0
524.20288	100.0
525.20673	6.8
569.23761	0.8
571.25854	0.3
587.25024	4.6
597.23413	0.6
605.25745	1.6
615.24298	2.7
633.25519	5.4
647.26654	0.5
665.28021	6.3
665.37708	0.6
666.28241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52328	0.7
58.67762	0.7
65.03943	0.7
67.05508	1.1
69.03424	1.5
69.07069	4.6
70.14268	3.4
71.04976	0.8
79.05494	1.1
80.25909	0.7
81.03416	1.4
85.02898	2.1
86.09689	0.8
91.05510	1.5
93.05850	0.8
94.06576	5.6
95.04960	2.2
105.07050	0.8
108.04530	0.7
108.08154	1.9
109.02886	1.0
110.06068	1.1
112.07599	1.6
119.04915	1.3
120.04497	1.1
121.34026	0.8
122.06036	19.9
123.04476	1.1
124.07597	0.7
134.06047	1.2
136.07613	0.9
137.05978	4.0
140.07072	30.8
143.05638	3.8
144.04410	1.5
146.06015	12.6
147.04427	1.1
147.06847	1.1
148.07607	3.7
152.07047	1.1
160.07649	1.2
162.05518	2.3
163.03969	1.4
163.06227	1.1
163.07639	0.7
167.07074	3.0
172.03964	13.1
173.04749	1.5
174.05527	16.6
175.07596	0.9
176.07079	10.9
177.05438	1.0
178.08629	0.7
187.12396	0.8
190.04987	4.5
191.05811	2.0
191.32043	0.8
192.06590	2.0
197.10815	1.6
198.09145	1.2
199.08611	2.0
201.10420	1.2
204.06554	20.0
206.08124	9.2
207.06570	1.5
208.09749	1.0
211.08698	2.6
212.09410	0.9
213.10170	2.5
215.11888	3.1
223.08649	1.3
224.09283	0.9
225.10263	3.2
226.08768	1.5
226.11034	1.2
227.11786	1.4
235.08803	0.9
237.10304	2.1
238.11107	1.0
239.08183	0.9
239.11858	2.9
241.09799	2.5
243.11310	13.8
246.19559	0.8
249.10239	2.4
251.08098	0.8
251.11847	2.2
253.09766	1.2
254.10567	0.9
255.11389	2.5
256.11981	1.1
257.12946	1.6
261.12366	2.2
263.11816	4.7
264.08719	0.8
265.09811	4.0
265.13455	1.1
266.10568	0.8
267.11398	2.7
269.09158	2.3
271.06088	6.1
271.10837	2.7
273.12521	1.3
277.09662	2.8
278.10498	1.1
279.11285	3.1
280.12399	1.1
281.12958	1.4
283.10788	5.8
284.11560	1.2
285.12338	18.0
287.10413	4.6
287.14059	3.0
291.11200	1.7
292.11868	0.8
293.09241	1.2
293.12906	0.9
294.09927	1.0
295.10764	2.1
297.12173	1.2
299.10394	2.7
299.13971	1.2
301.11810	1.8
302.12985	1.5
303.13422	27.5
304.14523	1.6
305.15176	1.2
309.12256	5.3
313.11835	31.9
315.13608	1.1
316.11038	2.3
316.14523	2.8
317.12012	1.1
317.15427	2.3
318.16019	3.8
319.16870	2.7
323.10419	1.5
323.13928	2.3
325.12408	1.0
326.12921	0.9
327.13687	1.6
329.12033	1.2
330.12485	3.3
331.12921	11.1
331.16486	1.2
332.14114	1.7
332.17670	1.6
336.11026	2.7
337.11969	1.1
339.13596	2.7
340.14639	1.1
343.13626	1.2
344.13885	4.0
345.14560	11.4
346.15561	5.8
347.16406	4.9
352.19864	0.8
354.12421	1.1
356.14102	1.4
358.11807	1.5
358.15671	3.2
359.12558	1.3
360.17264	4.3
363.15820	0.9
367.12997	3.0
368.13739	3.6
369.14838	3.9
370.11707	1.2
370.15829	1.8
371.12863	2.7
372.13354	7.5
373.13977	6.1
374.14975	7.3
376.16858	1.0
378.18176	1.5
385.14520	2.4
386.15057	10.8
387.15781	9.1
388.16522	7.1
390.18481	1.0
396.13702	0.9
398.15054	1.6
400.16824	2.0
401.13568	1.3
401.17929	1.1
402.13931	3.5
404.16156	4.7
405.16968	3.2
406.17645	6.8
410.15460	1.0
414.14468	9.0
415.15286	18.4
416.16043	24.5
418.17596	2.5
428.16077	2.9
429.16745	1.4
430.17792	5.2
431.18323	1.5
432.15613	3.2
433.16284	6.3
434.17065	5.9
446.17065	8.9
447.17908	2.0
456.15656	4.9
457.15842	1.9
458.17352	1.3
460.14832	1.4
474.16614	32.8
475.17337	16.7
476.18207	9.6
489.18698	1.1
490.19269	0.9
492.18121	1.5
506.19232	5.7
507.20044	2.8
508.20746	9.3
510.21875	1.6
524.20886	1.3
571.25610	2.0
573.23572	4.4
597.23340	6.8
612.22919	1.1
615.24493	100.0
616.24646	2.6
633.25269	1.5
647.27222	4.3
665.29126	2.3
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
53.52473	1.1
64.99026	0.9
66.36246	1.0
69.03419	1.8
69.07039	2.1
69.36897	5.0
69.37330	5.4
70.06580	2.4
71.04989	1.4
75.07846	1.0
79.05473	1.4
80.05344	1.1
81.03419	1.6
82.07094	1.0
83.04952	1.4
85.02892	3.0
86.09675	2.0
91.05481	2.1
94.06564	1.8
95.04974	1.5
97.02895	1.8
105.07034	1.5
109.02869	1.7
110.64629	1.1
119.04969	1.9
122.06031	8.5
123.04417	1.7
131.04971	1.1
134.05963	1.3
136.07599	1.6
137.05952	2.8
140.07068	13.9
143.05634	4.7
146.05991	2.9
147.04337	1.5
151.03883	1.7
162.05586	1.7
163.03960	1.8
164.07115	2.3
167.07025	7.8
172.03958	6.2
173.83589	1.1
174.05505	4.5
175.03949	1.4
176.07068	2.4
181.04878	1.3
190.04901	1.6
199.08641	1.2
204.06522	10.8
206.08031	2.4
207.06502	2.6
208.09775	1.3
222.11510	2.5
229.78889	1.1
235.12450	2.2
237.10246	2.2
237.13814	1.3
238.11041	1.8
239.11810	1.7
241.09598	1.5
243.11302	4.1
247.08687	2.0
248.09419	6.0
249.10229	21.6
250.11006	5.3
251.11761	6.7
261.10211	3.5
262.11002	5.2
263.11795	100.0
264.09238	1.7
264.12427	9.5
265.09619	2.7
265.13382	8.1
266.10587	1.3
266.13855	1.1
267.11209	1.5
271.06018	21.7
277.09720	21.7
278.10410	2.2
279.11267	27.9
280.12021	2.8
281.12833	3.5
283.10855	2.2
283.14304	1.1
285.12399	5.7
287.10391	1.5
289.09705	1.4
290.10483	7.1
291.11270	38.0
291.14456	2.5
292.12021	11.3
295.10770	19.6
297.12207	1.9
303.07626	3.7
303.13406	9.1
304.14185	1.5
307.10818	4.7
308.11523	3.0
309.08740	2.4
309.12323	46.6
310.12946	4.0
311.13855	4.3
313.11749	8.1
318.09915	7.5
319.10635	1.9
323.10901	2.5
323.13879	67.2
324.14532	5.6
325.11966	1.7
327.12799	1.2
331.12827	3.6
335.10190	3.3
336.11047	58.8
337.11740	20.4
338.12610	5.3
341.15128	2.5
344.14069	1.2
345.14380	5.6
346.15442	1.4
347.16376	1.1
351.13278	1.3
354.12238	3.2
355.12927	7.1
356.13486	2.5
358.09091	1.9
358.15582	1.5
367.12915	33.9
368.13638	48.3
369.14441	59.1
370.15210	17.4
372.13321	1.8
373.14090	1.7
386.14880	1.7
387.15237	2.0
388.16571	1.6
414.14502	2.2
415.15240	4.6
416.16165	8.0
417.15555	3.7
430.17410	1.5
433.16360	1.3
434.16824	1.6
446.17227	1.8
456.15491	2.2
462.71283	1.2
474.16711	8.8
475.17355	5.8
476.18228	5.6
478.19815	19.8
489.18738	3.6
493.18250	5.8
494.19275	6.8
506.19138	1.8
508.20786	96.4
509.21097	3.1
510.22345	41.9
511.22589	1.9
524.20117	2.2
526.21912	8.1
597.22913	2.6
615.14941	2.0
615.24475	26.9
616.25104	1.6
629.26093	1.7
633.25891	6.0
647.26874	2.4
665.27545	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04033	0.3
67.05491	0.6
69.01553	0.3
69.03423	0.6
69.07037	0.4
70.89983	0.6
70.90315	0.8
79.05503	0.6
81.07076	0.4
85.02899	1.0
91.05502	0.8
93.07018	0.4
94.06556	0.8
95.08595	0.4
97.02916	0.7
103.05464	0.3
107.04975	0.7
109.10124	0.5
110.06084	0.5
111.04427	0.5
117.03416	0.4
120.04442	0.6
120.08137	0.6
122.06036	2.8
123.04414	0.5
124.07656	0.5
126.05532	0.8
127.03933	0.5
132.08064	0.5
133.06499	0.5
133.10193	0.4
134.06049	0.6
135.04411	0.5
136.07550	0.9
137.05966	2.2
138.05493	0.5
140.07083	0.8
143.05629	1.1
144.04372	0.4
144.08157	0.5
145.02844	0.8
146.06003	1.4
147.04463	0.7
148.07588	0.5
150.05544	0.7
151.03839	0.4
154.04977	0.8
160.07585	0.9
162.09138	0.6
163.03914	1.2
163.07690	0.5
164.07092	0.7
167.07033	1.0
169.15384	0.3
172.01678	0.4
172.03984	0.5
172.07669	0.4
174.05479	1.0
174.09239	0.6
175.07478	0.6
176.07158	0.6
176.09396	0.4
177.05510	0.9
186.09102	0.4
199.08748	0.7
202.08664	0.5
204.06552	1.3
206.08116	0.8
207.06564	1.0
208.09615	0.5
209.10735	0.4
210.09326	0.4
211.08690	1.2
212.09441	0.6
213.10283	1.4
221.10939	0.6
222.11584	0.7
223.08727	1.5
223.12286	1.0
224.09424	0.5
225.06596	0.4
225.10187	2.4
226.08830	0.4
226.11020	0.5
227.08212	0.8
227.11801	0.7
235.08630	1.7
236.09497	1.3
237.10173	2.2
237.13745	0.7
238.11003	0.8
239.11766	1.3
241.09813	0.6
243.11345	0.5
248.09454	1.1
249.10251	8.7
250.11023	3.8
251.08202	3.0
251.11792	6.8
252.12619	1.2
253.09839	0.5
253.13367	1.3
255.11417	0.6
257.09277	0.5
259.10818	0.8
261.10318	1.5
262.10992	0.9
263.08191	0.8
263.11826	5.3
264.12561	1.8
265.09766	1.2
265.13397	3.6
267.11337	0.7
271.06036	7.9
272.06406	0.9
273.06497	0.5
273.12292	0.6
275.11639	0.7
277.09717	0.9
277.13269	0.8
278.10382	1.2
279.11276	2.2
280.12033	0.5
281.09293	0.5
283.10818	3.1
285.12463	1.5
289.13342	1.0
290.13596	0.4
291.11328	1.4
291.14517	0.4
293.12775	0.9
295.10800	1.3
295.14191	0.4
296.11548	1.1
297.12292	2.0
298.10501	0.6
299.11792	0.5
301.12540	0.8
302.10010	0.6
302.13242	0.8
303.10843	0.6
303.14081	0.5
305.12720	0.8
309.12378	3.9
310.13138	1.1
311.14014	3.1
313.11826	1.0
314.12732	0.7
315.10928	0.4
315.14285	0.8
316.11108	0.7
316.14651	0.8
317.12903	1.1
318.12830	0.5
319.13528	0.5
323.13763	0.5
324.10864	0.5
327.14606	0.5
328.14462	1.0
329.15649	0.5
330.12494	1.6
330.16095	0.9
331.13342	0.7
332.14084	0.5
335.13416	0.5
337.11935	0.9
339.13779	1.2
340.14410	0.5
341.12402	0.6
342.12317	2.0
342.16159	0.6
343.13452	1.1
344.13907	2.2
345.14975	1.3
346.15714	0.8
354.12286	0.6
354.16266	0.9
355.13477	0.6
356.14014	2.8
356.17831	0.6
357.14883	1.7
358.11807	1.0
358.15674	1.7
359.16373	0.4
360.17297	1.0
363.13376	0.6
369.14627	3.8
370.15649	1.2
371.16260	2.0
372.13113	0.7
372.17175	1.2
373.14410	0.6
374.15057	0.5
374.19208	0.4
382.15680	1.5
383.12906	0.6
384.17142	1.4
385.15021	1.4
386.15149	2.5
387.15457	1.2
388.16544	1.5
390.18689	0.4
400.16739	5.3
401.14566	1.4
402.18729	1.8
403.16513	2.3
404.16092	0.9
405.16821	0.5
413.14825	0.4
414.14420	0.7
415.15576	0.5
416.15894	0.6
418.18143	1.9
419.16354	0.7
420.15250	0.4
428.16119	2.1
429.14972	1.1
430.17676	1.6
431.15768	0.7
434.17169	0.7
446.10925	0.6
446.17111	12.2
447.17935	2.8
448.18607	3.1
456.15802	1.2
464.18085	7.8
474.16699	3.2
475.16833	1.1
476.17899	0.5
488.18283	0.7
490.19879	0.5
492.17709	4.3
506.19296	5.2
507.18951	0.8
508.20734	1.2
524.20313	100.0
525.20587	4.5
569.23944	1.1
587.24976	7.7
597.23328	0.9
605.26227	2.5
615.24524	3.7
629.25641	0.5
633.25549	9.1
647.27612	0.7
665.27948	8.9
665.37561	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76176	0.4
55.05505	0.6
56.96552	1.2
57.03425	0.6
67.05494	0.7
68.94986	0.4
68.99806	0.5
69.03426	1.2
69.07066	0.9
70.06596	1.0
70.15362	1.8
71.04980	1.5
71.06516	0.4
72.17867	0.5
73.20313	0.4
79.05473	0.9
81.03419	0.9
81.07046	1.4
83.04967	0.9
84.08163	2.0
85.02908	4.2
86.09712	0.8
87.06700	0.7
91.05469	1.6
93.07039	1.2
95.04980	0.4
95.08614	1.1
97.02880	1.0
98.97585	1.8
103.05481	0.5
105.07005	0.6
107.04925	1.3
107.08607	0.7
109.02873	1.2
109.10146	1.1
111.04455	0.8
112.54530	0.4
112.99146	0.6
115.05418	0.4
116.98630	1.2
118.98433	0.4
119.04927	2.7
119.08566	1.2
121.02838	0.8
121.10154	0.4
122.06026	2.1
124.07558	1.2
126.05487	0.4
127.03912	1.9
129.05495	0.6
131.00169	1.3
134.99593	0.6
137.05966	1.2
138.05536	0.6
140.07066	1.3
143.05647	9.5
143.06671	0.4
144.05984	1.4
145.02832	1.1
145.06059	0.7
145.10132	0.5
146.05992	0.9
147.04424	0.5
149.01260	2.4
153.01819	4.0
158.99655	0.6
161.01244	0.8
161.05931	0.6
162.09097	0.6
163.03937	0.9
167.02303	0.9
167.07085	2.7
170.99715	0.6
171.02881	0.9
173.01311	0.5
173.05937	0.5
174.05443	0.8
175.03865	0.5
177.00700	1.0
177.05489	2.1
181.04921	0.8
186.09138	0.4
188.07050	0.7
192.10246	0.7
193.09834	0.5
204.06525	1.2
206.08205	0.8
207.06555	1.6
208.09622	0.9
213.10243	1.1
214.08698	0.7
219.01736	0.6
225.10228	1.0
227.08095	0.6
229.05095	0.6
235.08688	0.5
236.09608	0.4
237.10223	1.4
241.11334	0.8
241.13306	0.5
243.11411	0.8
249.10249	2.1
250.11014	1.6
251.08023	1.0
251.11823	2.2
253.09663	0.7
255.11252	0.7
259.10721	1.5
259.12262	1.6
263.11749	1.1
264.08875	0.6
265.09732	0.9
265.13223	1.1
267.08994	0.7
269.09509	0.5
271.06018	100.0
272.06390	6.2
273.12415	0.6
274.10614	0.5
275.11636	0.6
277.09879	0.6
278.10477	0.8
279.11194	1.4
283.10785	1.3
285.09790	0.6
285.12524	0.9
291.11224	1.0
293.05499	0.7
294.12671	0.4
296.11642	0.6
297.12601	0.5
301.06998	0.4
301.11783	2.9
302.10312	0.6
303.10953	0.8
309.12338	2.1
310.12891	0.5
311.06390	0.7
311.13931	1.0
313.11926	0.7
319.13010	2.7
323.10336	0.7
323.13977	0.7
328.14749	0.6
330.12344	0.8
337.11374	0.7
339.13541	0.7
341.12604	1.2
342.12759	0.5
343.13242	0.5
344.13913	0.8
346.15607	0.5
355.12860	0.5
356.13754	1.2
357.14920	0.8
358.11877	0.6
358.15720	1.0
359.13470	0.8
361.13837	0.6
369.14618	1.2
371.16138	0.7
372.13504	0.6
373.14005	0.6
381.30878	0.5
386.14902	0.9
399.15421	1.4
400.16544	1.0
401.13846	0.6
403.16324	0.8
417.15750	0.8
428.16080	1.1
430.17719	1.0
432.16168	0.6
446.17114	1.1
456.15558	1.8
457.15976	0.5
458.18066	0.9
474.16678	9.6
475.16858	0.7
476.18259	0.8
489.18665	1.0
490.19693	1.1
492.17722	6.0
503.17767	2.4
503.24231	0.8
506.19180	8.9
507.19727	1.1
508.20685	2.7
519.10907	0.8
524.20294	25.2
525.20514	2.9
597.23340	1.3
615.24530	4.2
629.25928	1.2
629.35925	0.7
633.25824	2.4
647.27142	1.0
647.37708	0.6
665.22095	11.6
666.23962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06082	0.7
53.03953	0.9
55.01871	0.8
55.05509	0.9
56.82495	0.5
57.03436	0.8
65.03946	1.1
67.05505	2.3
69.03435	3.0
69.07062	1.9
70.06593	1.3
70.51300	2.3
71.04987	2.6
73.02898	0.6
79.05489	1.4
81.03400	2.1
81.07053	2.1
83.04969	1.3
84.08145	1.0
85.02914	4.6
89.03908	0.7
91.05467	3.8
93.07050	1.5
94.06537	0.9
94.62987	0.6
95.04966	1.6
95.08617	1.7
97.02896	2.3
97.06531	1.5
98.06084	0.6
98.77899	0.6
99.04411	0.9
103.05457	0.7
105.03429	0.7
105.07047	1.9
107.04971	2.3
107.08611	1.7
109.02873	2.3
109.10166	1.4
110.06062	0.9
111.04423	0.8
111.08042	0.6
111.26720	0.6
115.03958	0.6
115.05458	1.0
117.03374	1.4
117.07001	1.1
119.04969	3.1
119.08590	0.9
120.04453	0.7
120.08089	1.3
121.02863	0.9
121.10203	0.8
122.06044	5.1
123.04444	1.6
123.05639	0.7
123.11735	0.9
124.05250	0.7
124.07605	1.7
127.03921	2.8
129.01877	0.8
133.02817	1.4
133.10139	0.8
134.06052	0.8
135.04425	1.5
135.08049	1.1
135.81061	0.7
136.06305	0.6
136.07567	1.4
137.05983	7.6
138.05464	1.0
140.07074	2.4
143.05650	18.3
144.06046	3.6
145.02864	4.0
145.06406	1.1
145.10167	1.2
146.06007	2.1
147.04375	3.0
147.06763	0.6
151.03876	1.0
152.07054	0.7
153.01837	3.5
154.04990	1.3
155.37993	0.6
160.07555	1.3
161.05988	1.1
162.09129	1.2
163.03926	7.8
163.07564	0.9
164.07013	1.3
164.10652	0.7
166.08638	3.3
167.07047	16.6
167.08432	1.1
173.06044	2.5
173.13252	0.7
174.05479	1.7
174.09135	0.7
175.03864	1.4
175.07623	1.7
177.05473	6.5
180.10188	0.9
181.04942	4.2
189.07324	0.5
189.09137	0.7
190.04799	0.8
191.07033	0.9
192.10265	1.0
199.08899	1.1
201.05438	1.6
204.06644	1.6
206.08125	1.5
207.06529	3.5
208.09763	1.5
209.08241	0.6
211.08723	2.0
213.10239	2.0
218.08205	0.9
222.11557	1.3
223.08746	1.2
223.12230	1.1
225.10234	2.7
226.10893	0.7
227.08223	0.7
227.11867	1.2
229.09784	1.1
233.08055	1.2
235.08757	1.9
236.09381	1.4
237.10284	2.9
239.11826	1.4
241.09467	1.3
241.13441	0.8
243.11136	0.7
244.09856	0.8
248.09557	1.2
249.10268	9.7
250.11055	4.1
251.08197	2.5
251.11815	7.8
252.12569	1.4
253.09760	1.4
253.13377	1.9
255.11201	1.0
257.12845	1.2
259.10712	1.1
261.10217	2.6
262.11111	1.1
263.11813	6.3
264.08847	0.9
264.12506	2.3
265.09753	2.2
265.13403	4.3
267.11316	2.0
271.06018	81.7
272.06412	4.6
273.06711	0.8
273.12497	1.5
275.11664	0.7
277.09729	2.0
278.10391	0.9
279.11169	3.1
280.08936	0.6
281.09277	1.0
281.12738	0.8
283.10666	3.1
285.12363	2.2
287.05536	1.7
289.13351	0.8
291.11246	1.7
295.10785	0.9
296.11356	1.1
297.12372	2.9
301.12122	1.5
302.13193	1.3
303.13831	0.9
309.12363	5.3
310.13101	0.8
311.10327	1.7
311.13943	3.1
312.15005	0.9
313.12000	2.3
314.12997	1.1
315.14890	0.9
316.14651	1.3
319.13007	2.0
323.09976	1.1
328.14722	1.4
328.18311	0.9
329.11597	1.4
329.15530	1.1
330.12335	2.3
331.13501	1.3
337.11530	1.1
340.14676	0.8
342.12604	1.8
343.13031	1.5
344.14066	3.2
345.14807	1.5
346.15582	1.1
353.11264	1.4
354.16135	0.8
355.13708	1.7
356.14114	3.0
357.14801	2.1
358.15558	3.2
360.17224	0.7
369.14658	4.5
370.15460	2.1
371.16113	1.9
372.13232	1.1
372.17093	2.2
373.14532	2.1
374.15045	2.0
382.15555	1.3
383.13721	1.2
384.17270	1.3
385.14490	1.1
386.14944	3.4
387.15442	2.4
388.16516	1.6
400.16620	7.0
401.14059	1.5
402.18277	1.9
403.16290	2.3
414.14853	1.0
415.14938	1.1
417.15570	2.9
418.17590	2.3
419.15802	1.1
428.15851	2.4
429.15573	1.1
430.17575	2.4
431.15573	0.9
434.17157	1.6
435.17749	1.4
446.17169	17.6
447.16791	4.7
448.18848	6.7
450.20251	2.1
456.15613	1.9
464.18127	7.6
474.16638	4.2
475.15704	1.1
476.18024	6.9
488.18091	0.8
492.17560	3.9
494.19275	1.5
506.19238	11.7
507.18857	2.0
508.21039	4.1
524.20294	100.0
525.20551	4.0
542.21039	0.8
569.23907	2.0
573.23499	1.2
587.24957	9.8
597.23108	2.2
605.26129	1.8
615.24255	7.0
629.25720	1.5
633.25439	10.4
647.27167	2.6
647.37262	1.6
665.29163	11.4
688.88092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1717
Annotation	Apigenin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
50.88797	0.0
53.03915	0.1
55.01858	0.1
55.05489	0.1
57.03440	0.3
61.02934	0.1
67.01528	0.0
67.01857	0.4
67.64013	0.0
68.99441	0.1
68.99760	0.3
69.00069	0.0
69.03423	0.3
71.01334	0.1
71.04991	1.5
71.34293	0.1
73.02877	0.1
75.04466	0.1
79.05441	0.0
81.03422	0.3
83.04553	0.0
83.04991	0.3
85.02903	2.7
85.21471	0.0
87.00816	0.2
87.04427	0.1
91.05469	0.2
95.04950	0.0
97.02895	0.2
99.04419	0.1
100.53812	0.0
103.03902	0.1
105.01851	0.3
109.02882	0.4
111.04431	0.3
119.04937	1.5
119.79541	0.0
121.02866	0.5
125.02369	0.0
127.03088	0.0
127.03912	0.7
129.01828	0.2
129.05469	0.6
131.04836	0.0
139.03902	0.0
145.02840	0.6
145.04868	0.2
147.02863	0.1
147.06473	0.2
149.02303	0.0
151.03848	0.1
153.01822	3.5
159.02861	0.1
163.03899	0.3
171.02881	0.6
171.06456	0.1
173.04369	0.0
173.05855	0.0
177.05521	0.1
181.04924	0.0
187.03905	0.1
187.05954	0.0
189.03899	0.2
190.17476	0.0
203.07050	0.1
213.03983	0.1
219.06575	0.0
225.05476	0.3
229.05043	0.2
231.04984	0.2
233.06416	0.0
237.07588	0.1
243.06403	0.2
247.06064	0.1
249.06305	0.1
253.04846	0.1
255.08669	0.1
270.05298	0.1
271.05994	100.0
272.06323	0.8
273.06067	0.0
284.84683	0.0
295.06058	0.1
313.07089	0.1
359.09900	0.1
381.09912	0.1
392.83176	0.0
417.11697	0.0
433.11209	0.2
475.11926	0.1
501.10266	0.1
519.11401	0.9
519.19110	0.0
543.22809	0.0
579.16998	0.4
621.17889	0.0
665.05847	0.1
665.17047	1.2
665.27588	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21173	0.8
56.56585	0.8
57.07077	55.5
69.28134	9.1
74.21217	0.9
91.05474	6.3
100.46488	1.0
105.06982	1.5
119.08607	1.4
147.11700	7.4
153.06987	3.4
213.87378	0.8
229.10086	0.9
233.03629	6.6
247.90306	0.9
251.04683	15.2
307.11029	1.9
327.07800	100.0
383.14050	82.6
394.37082	0.9
439.20343	76.3
495.26599	80.1
496.26764	1.5
511.91168	0.9
513.97571	1.1
551.32843	96.1
552.33270	1.3
607.39093	64.0
608.39386	1.1
612.34778	0.9
642.44250	1.0
663.45319	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	664.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.5
57.03436	11.2
57.06828	1.7
57.07081	27.5
59.04993	3.0
61.02910	4.6
67.05505	67.3
69.07056	6.3
71.04991	2.4
71.08633	17.7
71.61013	1.8
71.61392	1.5
79.05497	2.1
81.07057	14.5
83.08625	12.6
85.02897	4.8
85.06519	2.1
85.10184	11.9
88.27827	1.5
91.03961	2.4
91.05459	3.9
91.98204	1.3
92.16469	1.4
93.07037	4.4
95.08607	16.6
97.02895	1.5
97.10162	3.0
109.10161	76.1
110.59332	1.2
111.08093	2.6
119.08565	4.1
123.11682	4.0
133.17786	1.4
136.96024	1.5
137.09595	2.4
155.10623	3.2
165.86708	1.5
173.11766	21.9
177.34210	1.4
229.14355	100.0
257.24677	1.3
261.55362	1.5
290.60883	1.3
297.89642	1.6
313.27365	91.2
340.69717	1.3
456.31128	1.4
467.37347	69.2
590.01782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.1
55.05490	0.1
57.03450	0.3
65.03946	0.1
67.01862	0.5
67.05509	0.1
68.99763	0.3
69.03422	0.4
69.32273	0.1
69.32685	0.4
70.90520	0.0
71.04596	0.1
71.04990	1.7
73.02904	0.1
75.04458	0.1
81.03397	0.2
81.07079	0.1
83.04975	0.2
84.08147	0.1
85.02902	2.6
87.04475	0.1
91.05480	0.4
96.54227	0.0
97.02883	0.6
99.04456	0.1
107.04945	0.1
109.02869	0.1
111.00819	0.1
111.04459	0.1
119.04942	1.7
121.02869	0.6
123.04414	0.1
127.03952	0.3
129.01813	0.1
129.05486	0.5
131.04926	0.1
133.10139	0.1
137.05956	0.2
141.06938	0.1
143.03436	0.1
143.05637	0.9
144.05959	0.1
145.02840	0.6
145.04926	0.1
145.06436	0.1
145.10028	0.1
147.04410	0.1
147.06483	0.1
153.01822	4.1
163.03923	0.3
167.07027	0.7
169.05153	0.1
171.02887	0.7
173.05908	0.1
177.05453	0.1
181.04979	0.2
181.07256	0.1
187.03889	0.1
197.06029	0.1
201.05621	0.1
203.06998	0.2
225.05397	0.3
229.04962	0.3
243.06534	0.3
247.06079	0.1
250.88187	0.1
271.05997	100.0
272.06329	0.6
297.07553	0.1
301.21231	0.1
307.09460	0.1
321.07617	0.1
321.14529	0.1
337.07281	0.1
371.78763	0.1
373.13715	0.1
417.15695	0.2
519.11237	0.6
665.17798	0.1
665.29651	0.1
665.40839	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	663.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
54.59862	1.1
55.01871	3.9
55.05511	15.8
57.03184	1.6
57.03436	17.5
57.07077	7.9
61.02926	64.1
67.05179	2.0
67.05505	25.2
68.84927	1.3
69.03429	28.8
69.07070	22.3
69.44614	8.7
69.45022	2.7
71.01337	3.9
71.04971	3.6
71.08617	5.4
73.02913	24.2
75.04459	2.9
79.05493	10.8
81.03417	25.2
81.07053	23.8
83.04966	4.1
83.08616	17.3
85.02905	79.1
85.06549	2.5
85.10195	1.3
87.04445	2.8
91.03952	46.2
91.05458	4.8
93.07041	14.0
95.04948	3.8
95.07991	1.5
95.08606	25.2
96.53315	1.1
97.02891	62.5
97.06499	3.1
97.10163	11.4
99.04447	12.8
99.08086	1.6
101.02380	7.0
103.03957	9.9
105.07030	2.7
107.04944	1.8
107.08595	7.6
109.02864	12.3
109.06478	1.5
109.10147	11.5
111.04415	3.3
111.08109	3.2
111.11707	3.8
115.03954	8.1
117.05482	2.9
119.08549	2.5
121.10133	12.7
123.11708	4.1
125.09630	2.5
127.03917	33.0
127.11219	1.1
129.05469	5.3
131.08536	3.4
133.10141	2.2
135.11667	11.5
137.05984	1.3
137.13318	1.6
145.04947	22.3
149.13228	3.4
151.14806	1.8
153.12709	1.7
159.06519	4.4
163.06044	6.2
163.14780	2.6
165.16354	2.2
171.06502	2.7
177.16412	1.6
183.06544	12.7
201.07578	7.6
203.14380	1.4
204.27483	1.4
219.08658	2.1
247.24200	9.0
263.23792	1.5
265.22662	2.2
265.25269	22.8
271.72470	1.2
287.39441	1.4
327.07886	1.5
335.25616	1.3
337.27252	4.0
339.28937	100.0
339.51614	1.2
340.29138	1.2
355.26242	1.3
367.28500	5.6
373.27246	3.6
379.08685	1.4
381.29834	2.5
409.29373	2.9
411.30923	1.7
423.30920	1.8
447.31122	6.2
465.32050	4.0
483.33176	13.1
495.27478	1.3
501.33978	1.7
559.32397	3.8
663.34198	6.4
676.28485	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.01871	0.2
55.05508	0.6
56.96578	0.1
57.03428	0.4
57.07057	0.1
60.05634	0.1
61.02902	0.1
61.20939	0.1
65.03914	0.1
67.05505	0.8
68.72059	0.1
69.03432	0.7
69.07072	1.3
70.06584	0.2
71.01351	0.2
71.04981	0.4
73.02907	0.2
73.04028	0.1
79.05497	0.8
81.03420	0.6
81.06579	0.1
81.07053	1.8
82.06601	0.1
83.02445	0.1
83.04985	0.4
83.08615	0.2
84.08089	0.1
85.02905	0.8
85.06540	0.2
86.09673	0.1
87.06717	3.4
90.05709	0.1
91.05479	0.8
93.07047	1.1
94.06579	0.2
94.99203	0.1
95.01318	0.2
95.04971	0.5
95.08607	1.4
97.02901	0.4
97.06528	0.4
97.10163	0.3
98.20733	0.3
98.97585	0.1
99.04438	0.1
103.03943	0.2
105.07034	1.2
107.04949	0.4
107.08582	1.0
109.02875	0.4
109.06535	0.2
109.10159	0.7
110.97564	0.1
111.04449	0.1
111.08093	0.2
111.11762	0.1
112.07600	0.1
113.02364	0.1
113.04583	0.2
116.04597	0.1
116.98607	0.1
117.03387	0.1
117.05482	0.3
117.06986	0.2
117.77989	0.1
119.04942	0.3
119.08579	0.5
119.09348	0.1
121.06491	0.2
121.10168	0.6
122.05982	0.2
123.04389	0.1
123.08127	0.1
123.11712	0.7
124.07590	0.5
125.04593	0.1
125.06013	0.2
125.09634	0.1
126.03007	0.1
127.03926	0.6
129.06979	0.1
131.08568	0.3
133.06421	0.2
133.10104	0.5
134.99591	0.1
135.04404	0.1
135.08052	0.2
135.11691	0.3
135.13686	0.1
136.07480	0.1
137.05991	0.3
137.13260	0.2
139.11189	0.1
140.07098	0.2
141.01842	0.3
141.04051	0.4
142.04852	0.2
143.05640	100.0
144.04013	0.2
144.06108	0.8
145.02840	0.3
145.04959	0.1
145.06236	0.1
145.10132	1.2
147.04388	0.3
147.11720	0.4
149.06007	0.1
149.09650	0.2
149.13266	0.3
151.07553	0.3
157.10115	0.1
159.08113	0.1
159.11656	0.6
161.09656	0.2
161.13286	0.1
163.03911	0.4
163.07556	0.2
163.11226	0.5
164.07036	0.1
167.05809	0.1
167.07060	0.3
169.10104	0.2
171.11699	0.2
173.09645	0.5
173.13199	0.2
175.03888	0.3
175.07529	0.1
177.05467	0.8
177.12648	0.2
181.05051	0.1
182.11923	0.1
185.06708	0.2
187.11218	0.7
187.13228	0.1
191.10725	0.4
193.08569	0.1
197.09586	0.1
199.09752	0.1
205.08391	0.1
205.12245	0.2
206.04456	0.2
207.06572	0.4
208.09862	0.1
215.10638	0.8
219.01703	0.1
225.10118	0.1
233.11717	0.5
237.02856	0.3
251.12228	0.1
255.11292	0.2
259.10873	0.2
263.11810	0.1
267.11386	0.1
271.06000	2.2
277.09598	0.1
279.11368	0.2
285.12292	0.1
287.05630	0.1
297.03842	0.1
299.05206	0.1
301.11835	0.3
305.10944	0.3
307.15320	0.7
309.07199	0.1
325.16360	0.2
326.12943	0.1
337.11221	0.1
339.08383	0.2
353.15900	0.1
355.12531	0.1
384.13187	0.1
415.14301	0.1
449.28876	0.1
467.29770	0.2
473.15732	0.1
474.17160	0.2
505.18179	0.4
506.19235	0.9
508.20712	0.3
524.19928	0.2
535.15039	0.2
542.21204	0.1
591.34247	0.1
597.36169	0.1
609.34692	0.5
613.22845	0.2
615.36017	1.1
627.35950	2.3
631.24438	0.1
645.27179	0.3
645.37012	7.3
646.25299	0.1
646.37280	0.1
663.12744	0.1
663.27710	0.3
663.38293	1.8
664.38733	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	663.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.05496	0.4
60.05645	0.1
67.05505	0.6
69.03428	0.4
69.07057	0.5
70.26299	0.3
70.26696	0.2
70.64005	0.1
72.54445	0.1
75.14661	0.1
79.05498	0.7
81.03388	0.3
81.07066	1.3
83.04956	0.1
83.08620	0.1
83.40339	0.1
84.08104	0.2
85.02906	0.3
85.06553	0.1
87.06715	3.0
91.05487	0.4
92.05789	0.1
93.07045	1.0
95.04949	0.2
95.08603	1.1
97.02896	0.2
97.06547	0.3
97.10198	0.3
105.07015	0.6
107.08601	0.9
109.02877	0.2
109.10150	0.7
111.08093	0.2
119.08603	0.4
121.10156	0.5
123.11723	0.4
127.03947	0.3
133.10135	0.5
135.11665	0.3
137.05945	0.3
137.54185	0.2
141.04054	0.6
143.05643	100.0
144.06078	0.2
145.02818	0.2
145.10114	0.3
147.11781	0.3
149.13271	0.4
159.11694	0.2
161.13229	0.2
163.03952	0.1
163.14784	0.1
167.07051	0.2
173.13197	0.1
177.05461	0.3
185.06735	0.3
187.11249	0.1
205.12242	0.2
206.08144	0.1
207.06419	0.2
215.10568	0.2
259.10727	0.2
271.06131	0.7
283.10666	0.2
301.12030	0.6
305.10947	0.4
319.12662	0.2
327.47559	0.1
449.28619	0.2
524.20526	0.2
591.33618	0.3
597.34631	0.4
609.34937	1.0
615.35919	1.6
627.35986	3.0
645.37036	7.0
646.36890	0.2
663.27643	0.2
663.38092	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71043	2.4
53.03941	7.9
55.01862	9.1
55.05509	42.1
57.03431	10.6
59.05016	3.6
65.03920	4.0
67.05503	100.0
69.03084	2.6
69.03430	29.7
69.07072	26.6
70.06389	12.8
71.01356	4.0
71.04985	9.4
73.02882	2.8
79.05069	2.8
79.05496	37.7
81.03417	74.5
81.07063	41.2
82.65193	2.3
83.04993	13.4
83.08621	13.9
85.02900	19.8
85.06564	5.2
91.05478	34.4
93.07040	32.0
94.04182	2.4
95.04973	13.2
95.08607	18.4
97.02900	21.9
97.06529	4.6
97.10158	25.0
99.04442	6.1
105.04539	2.4
105.07037	22.2
105.32957	2.3
107.04951	12.6
107.08577	21.1
109.02868	22.8
109.06503	9.2
109.09457	4.8
109.10158	62.6
111.04446	13.7
111.08053	4.1
117.07011	18.7
119.04984	3.8
119.08588	22.2
121.06539	5.0
121.10132	11.2
123.04425	2.6
123.08050	8.1
125.09631	22.3
127.03922	14.5
128.06111	3.3
129.06987	8.6
131.08562	13.8
133.06493	4.7
133.10146	12.7
135.04463	2.9
135.08052	8.2
135.11653	3.7
137.09645	6.9
143.08566	8.2
145.06479	3.3
145.10115	10.7
147.08046	8.0
147.11732	6.0
149.09589	3.5
151.11131	2.8
153.09077	4.7
155.10638	2.5
157.10132	6.2
159.08075	5.4
159.11736	6.2
161.09613	6.1
169.10132	4.0
171.11705	4.9
173.03094	2.4
173.04472	5.1
173.09599	4.4
173.11751	17.7
173.13098	4.1
177.12737	2.6
185.13223	4.5
189.11188	18.6
201.12733	5.1
209.13338	3.0
223.13388	13.2
227.12714	12.9
229.12386	3.0
229.14372	9.4
233.15448	3.0
247.13335	3.0
273.18512	25.8
275.19943	3.7
291.19522	83.6
293.12778	6.1
295.61130	2.4
299.14813	11.2
327.14221	4.8
347.22418	5.0
355.17340	7.5
365.23065	3.9
373.18509	2.6
387.11191	2.7
399.22473	2.9
435.23441	3.7
436.96719	2.3
460.76331	2.4
462.52969	2.4
466.32886	2.6
501.31778	7.9
512.74164	3.0
519.32996	7.9
578.38269	2.8
645.36176	7.3
663.37708	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.32448	0.2
61.02917	0.3
67.05495	0.8
69.03427	0.4
69.07069	0.3
70.06610	0.2
71.05042	0.2
71.34892	0.4
73.02922	0.3
79.05505	0.6
81.03432	0.6
81.07059	1.0
85.02903	0.5
91.03999	0.3
91.05474	1.1
91.21459	0.2
93.07043	0.6
95.05004	0.3
95.08626	0.5
97.02920	0.7
105.07063	0.8
107.08605	0.3
107.42499	0.2
109.06556	0.4
109.10172	0.6
111.04436	0.2
119.08591	0.6
125.09671	0.3
127.03905	0.3
131.08597	0.4
133.10172	0.6
145.10188	0.4
147.04469	0.4
157.09999	0.3
177.05518	0.4
185.04285	0.4
203.05293	0.4
243.08418	1.0
259.07883	0.3
260.33871	0.2
271.06036	0.3
289.07190	0.5
413.17758	0.6
427.24509	0.4
429.30017	0.3
445.25595	1.8
470.17783	0.3
483.27240	0.3
485.10834	0.3
491.22781	0.6
498.17737	0.3
499.17804	0.5
501.28378	2.3
526.17303	0.3
558.20044	0.3
599.20447	0.4
631.22791	2.4
635.33783	0.8
645.33118	0.3
663.33533	100.0
664.33801	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37406	0.2
55.05478	0.4
57.03399	0.4
67.01820	0.5
67.05474	0.9
68.99783	0.5
69.03397	0.9
69.07034	0.8
70.89677	0.3
70.90016	0.5
71.04971	0.2
73.02912	0.2
73.72122	0.2
75.81811	0.2
79.05472	0.9
81.03385	0.8
81.07070	1.3
82.86895	0.2
83.04978	0.3
83.08570	0.2
84.08124	0.2
84.80389	0.2
85.02899	1.2
85.06506	0.4
91.05492	1.5
93.07018	1.0
94.06535	0.3
95.04961	0.5
95.08609	1.6
97.02850	0.7
97.06509	0.7
103.16692	0.2
105.07024	1.1
106.17166	0.2
107.04943	0.2
107.08561	1.1
109.02861	1.1
109.06475	0.4
109.10129	0.6
111.08095	0.3
117.03371	0.3
119.04966	1.1
119.08550	1.0
120.08118	0.3
121.02802	0.4
121.06477	0.4
121.10087	0.4
122.06010	0.7
123.04399	0.3
127.00347	0.2
131.08569	0.5
133.10068	0.7
134.06046	0.3
135.04414	1.2
135.11650	0.3
136.07513	0.3
137.02335	0.7
137.05962	0.7
140.07043	1.4
143.05652	3.2
145.02846	0.7
145.06447	0.3
145.10077	0.6
146.06004	0.6
147.04358	0.9
147.11690	0.3
149.09593	0.4
151.03838	0.3
151.07571	0.3
152.07001	0.4
153.00598	0.2
153.01831	4.7
159.08037	0.3
159.11652	0.3
161.02354	0.7
161.09650	0.3
161.13234	0.8
162.09138	0.4
163.03882	0.9
163.11183	0.6
164.07059	0.2
165.05533	0.3
167.07007	0.5
171.02930	1.3
172.04018	0.5
174.05479	0.5
175.03943	1.3
175.07556	0.2
177.05493	1.9
179.14272	0.8
180.10255	0.4
181.04982	0.2
187.11096	0.5
191.10605	0.4
194.08209	0.4
197.15361	0.6
204.06519	0.7
205.08694	0.2
207.06520	2.6
208.06914	0.5
208.09685	1.2
213.10289	0.3
215.10728	0.3
219.06403	0.4
223.12363	0.2
224.09361	0.4
225.10207	0.8
226.10811	0.3
227.11765	0.7
229.09654	0.2
233.11798	0.3
235.08540	0.5
236.09448	0.4
237.10237	1.7
238.10931	0.3
239.08162	0.4
239.11819	0.5
241.04965	0.7
241.09827	0.5
241.13286	0.3
245.04388	0.2
248.90326	0.2
249.10248	2.1
250.11003	0.9
251.08093	0.3
251.11789	2.7
252.12689	0.5
253.09735	2.6
253.13245	0.4
255.11269	0.6
263.08163	0.3
263.11777	0.4
264.08972	0.3
265.09711	4.0
267.11240	1.8
269.04391	0.5
271.06018	2.1
277.09625	0.8
278.06781	0.3
278.10504	1.9
279.07690	0.7
279.11282	3.7
280.12057	1.2
281.09735	0.2
281.12872	0.6
283.10754	0.5
287.05496	100.0
288.05875	3.2
293.09164	1.9
293.12814	1.5
294.10098	0.5
295.10800	1.7
295.14523	0.8
296.11591	0.3
297.12357	1.4
299.05518	0.3
299.13861	0.3
301.11899	0.5
303.13324	0.5
307.10785	0.8
307.15524	0.4
308.11624	0.4
309.12347	1.6
311.10214	0.9
311.13953	0.9
312.11038	3.3
312.14429	0.4
313.11838	0.8
317.11188	0.9
318.11844	0.4
323.10397	0.4
323.13779	0.5
324.10962	1.0
325.11826	3.2
326.12802	0.3
327.13391	17.2
328.13867	0.7
335.10336	1.2
337.11743	1.4
339.13391	24.1
340.14038	1.5
344.17749	0.3
345.14572	0.3
352.10452	0.4
353.11221	2.8
355.12793	0.4
358.15326	0.4
363.15506	0.6
367.12875	20.7
368.13620	3.3
369.14413	1.0
384.13507	0.4
385.13980	1.2
390.18158	0.3
398.14810	0.6
399.15527	4.3
400.16440	1.2
418.17654	0.5
458.17026	0.9
459.17639	0.4
460.18686	0.4
476.17908	0.5
480.21185	0.7
491.20953	0.3
508.20798	31.9
509.21341	1.0
523.19263	0.4
526.21796	2.5
540.23431	15.0
541.23962	0.6
599.25208	3.5
631.26715	0.4
645.25616	1.6
663.28888	1.6
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
55.01860	0.4
55.05516	0.5
58.81570	0.3
67.05492	0.7
68.70803	0.4
69.03429	0.5
69.07056	1.0
69.54674	1.3
69.55106	1.5
79.05489	0.8
81.03432	0.9
81.07043	1.0
84.13747	0.4
85.02916	0.8
91.05470	1.3
93.07036	0.9
94.06535	0.7
95.04945	0.5
95.08624	0.7
97.02869	1.0
97.06538	0.4
103.05447	0.4
105.07047	1.1
107.04964	0.6
107.08566	0.8
109.02895	0.7
109.06529	0.6
119.04940	0.9
119.08575	0.5
120.83301	0.4
122.06006	1.2
123.04449	0.5
131.08516	0.5
133.10124	0.5
134.05997	0.6
137.06001	0.9
138.05496	0.5
140.07039	2.3
143.05629	1.2
145.02843	0.8
145.10207	0.7
146.06001	2.1
147.04393	1.3
148.07489	0.8
152.07065	3.5
153.01845	0.5
154.08621	1.6
163.03821	0.7
163.07428	0.4
163.11153	0.5
166.08620	0.6
167.07031	0.6
169.73311	0.4
172.03951	2.4
173.09564	0.5
174.05525	1.6
175.03848	0.7
176.07088	1.6
177.05482	1.8
187.11139	0.4
190.05023	0.7
194.08118	3.9
194.09671	0.6
196.09874	0.5
204.06560	1.3
206.08188	0.6
207.06526	1.7
211.12492	0.4
215.10829	0.6
223.12236	0.5
225.10234	5.8
226.10927	0.5
227.11832	1.5
233.11723	0.6
234.11562	0.5
235.08693	0.5
236.09396	0.5
237.10222	1.7
238.10921	2.3
239.08153	0.4
239.11740	2.7
240.12582	1.9
241.09756	0.8
249.10188	1.5
250.10988	0.4
251.11783	2.9
252.12558	0.4
253.09708	10.8
254.10449	1.1
261.12405	0.4
263.11768	2.4
265.09726	5.8
266.10568	4.3
267.11279	5.9
268.12103	1.0
269.12839	2.2
271.06009	2.1
271.10748	0.9
276.08908	0.5
277.09854	1.9
278.10449	1.3
279.07626	0.5
279.11319	3.1
280.08749	0.6
280.12094	2.4
281.09399	0.6
281.12866	2.0
282.10144	2.3
283.06143	0.5
283.10782	2.9
283.14304	0.9
284.11530	1.5
285.12451	2.0
287.05423	1.4
287.13962	3.1
290.82968	0.4
291.11316	1.9
292.12100	1.3
293.09213	18.8
293.12717	1.0
294.09988	21.3
295.10806	11.6
295.14148	0.9
296.11417	1.1
297.12317	10.1
298.13177	0.7
299.13898	1.8
301.12207	0.9
307.11075	0.8
307.14786	1.4
308.11655	1.2
309.12323	39.4
310.12857	1.4
311.10269	0.6
311.13858	0.7
312.11008	4.5
312.14423	0.6
313.11823	5.9
314.12949	0.6
316.14389	1.0
323.10471	0.6
323.13962	1.7
324.11084	0.8
325.11719	2.8
326.12677	0.8
327.13388	18.9
328.14224	1.3
330.12299	0.7
330.15994	0.9
331.12689	1.3
331.16812	1.5
335.10303	1.1
336.10974	1.2
337.11798	0.9
339.09442	0.8
339.13394	10.7
340.14401	2.0
341.15024	2.6
342.12399	0.9
344.17493	1.1
345.14340	1.1
351.13403	10.9
353.11285	2.2
354.12109	2.2
354.15988	0.5
356.13861	1.1
357.14716	0.6
358.15430	1.6
367.12912	9.6
368.13846	2.4
369.14441	100.0
369.97955	0.4
370.15244	2.5
372.17371	0.7
382.11652	0.6
384.13528	1.9
385.14081	1.5
386.14594	0.7
386.19165	0.4
390.18146	1.1
398.14795	2.7
399.15701	6.1
400.16553	6.0
401.17059	35.5
414.18170	0.7
416.15942	0.6
417.16904	1.7
418.17529	1.1
430.17606	0.5
431.18488	0.5
440.16074	0.8
458.17050	7.7
459.17856	3.7
460.18307	1.2
468.21393	3.2
476.17883	0.6
490.19775	1.4
491.20337	0.7
508.20801	31.0
509.21606	18.4
509.27444	0.3
509.29370	0.5
510.22375	0.7
526.21741	1.5
540.23444	14.1
541.24365	4.5
557.23621	1.0
581.23944	1.1
599.24982	29.9
631.27478	3.4
663.27734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.01845	1.1
55.05480	2.1
56.96547	1.6
57.03437	1.1
63.28047	0.9
63.83592	1.0
67.05502	3.1
69.03421	3.8
69.07052	4.0
70.06598	1.7
71.04988	2.0
71.60184	1.5
79.05476	2.2
81.03404	4.2
81.07047	4.6
83.04963	1.3
85.02895	4.1
86.09692	1.7
91.04980	1.1
91.05473	6.0
93.07030	3.1
94.06549	2.2
95.04979	4.0
95.08605	3.2
97.02892	2.7
101.96169	1.1
105.07028	3.8
107.04913	1.0
107.08584	3.8
109.02888	2.1
109.10136	3.5
111.08060	1.1
117.03365	1.6
119.04969	2.4
119.08593	2.0
120.04366	1.1
121.06488	1.4
121.10154	2.3
122.06033	4.3
123.04380	1.8
124.07599	1.2
127.03932	3.2
131.08562	2.7
133.10104	2.4
135.11780	1.6
136.06232	1.5
136.07571	4.3
137.05922	2.7
138.05400	1.5
140.07089	5.0
141.01805	1.1
143.05624	6.0
145.02803	2.9
145.10098	3.4
146.09656	2.3
147.04399	3.7
147.11674	1.0
149.06007	2.2
149.09639	1.6
153.01825	1.5
154.04950	1.3
157.10110	1.4
159.11684	2.1
161.06001	1.7
162.05409	1.2
163.03859	2.8
163.11151	1.7
164.07098	2.9
164.42009	1.1
167.07036	4.5
171.63182	1.1
172.03973	2.8
173.09560	1.3
175.03891	3.2
177.05492	6.2
180.10204	1.2
187.11104	1.6
191.10674	2.1
204.06572	5.0
205.12280	1.9
206.08148	2.7
207.06546	7.4
208.09709	2.5
215.10588	1.8
222.11507	3.8
234.11316	1.1
235.08653	1.4
235.12344	1.7
236.09285	4.9
237.10272	2.3
237.13860	1.8
238.10875	1.6
245.35332	1.2
247.08517	2.5
248.09360	7.9
249.10234	17.7
250.11035	6.8
251.11794	7.8
253.09645	1.7
261.10260	6.0
262.11044	5.9
263.11798	78.3
264.12503	8.4
265.10062	1.7
265.13315	5.7
267.11212	1.6
269.12769	1.1
271.06030	7.9
272.06311	1.3
275.08258	1.7
277.09711	17.8
278.10349	2.5
279.11288	29.4
279.14349	1.5
280.11969	2.6
281.12775	9.0
282.13626	8.3
283.06030	10.3
285.12338	1.6
286.04782	3.5
287.05447	6.3
289.09674	2.3
290.10480	7.0
291.11261	30.0
292.12076	8.7
293.12811	4.7
295.10818	15.2
295.14047	1.7
296.11414	2.3
297.12323	1.4
303.07632	3.4
303.13425	2.0
307.10721	8.8
307.15439	1.0
308.11548	3.1
309.12332	59.7
310.12967	2.6
311.13879	2.8
313.07040	2.5
315.13461	2.0
316.14111	1.3
318.09998	5.5
319.10846	2.5
323.13882	52.1
324.10959	1.6
324.14520	3.5
325.11887	1.6
326.04752	1.1
335.10324	5.2
336.11029	41.6
337.11786	21.1
338.12527	4.1
339.12955	4.3
341.14905	11.7
345.14420	4.7
349.11829	1.2
351.13559	5.1
355.11771	2.8
356.13638	1.8
367.12869	33.7
368.13669	43.0
369.14444	100.0
370.15207	9.3
371.15924	2.4
399.15530	7.9
400.16553	1.4
401.16953	3.3
458.17560	2.5
476.18118	4.3
478.19748	16.6
490.20038	5.6
491.20297	4.4
508.20804	73.0
509.21490	5.7
510.22372	27.9
540.23425	63.2
541.23706	2.6
567.22485	1.6
599.24951	9.6
613.23431	1.4
631.27667	9.7
663.31842	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	663.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01883	0.1
55.05503	0.4
57.03432	0.3
58.47083	0.1
61.02934	0.2
64.22413	0.1
67.05499	0.2
68.61171	0.1
69.03439	1.4
69.07066	1.7
69.49833	1.0
70.06591	0.3
70.60906	0.1
71.04994	0.3
73.02911	0.2
73.04031	0.2
79.05489	0.3
81.03426	1.2
81.07047	0.4
83.02468	0.1
83.04984	0.1
83.08656	0.1
85.02917	1.4
86.09696	0.2
87.00826	0.3
87.06722	3.5
91.05482	0.5
93.07050	0.5
95.04943	0.2
95.08607	0.2
97.02893	0.8
97.06522	0.2
99.04440	0.5
105.07024	0.6
107.04929	0.2
107.08611	0.3
109.02876	1.4
109.06546	0.2
112.95232	0.1
113.04636	0.3
116.04559	0.1
119.04954	0.3
119.08591	0.3
121.06506	0.2
125.04647	0.1
125.05927	0.2
126.03004	0.2
127.03936	1.4
129.01831	0.2
129.06929	0.2
129.17725	0.1
131.04932	0.2
131.08580	0.3
133.06500	0.2
133.10159	0.2
137.05923	0.3
141.01843	0.3
141.04062	0.8
142.04855	0.3
143.05646	100.0
144.06033	0.2
145.02847	0.5
145.04942	0.2
145.10144	0.6
147.04424	0.3
147.11781	0.2
159.08009	0.1
159.11740	0.2
161.06099	0.2
162.09192	0.2
163.03917	0.6
163.11165	0.2
167.05698	0.2
167.07059	0.3
173.09634	0.2
177.05492	0.9
185.06779	0.7
187.11205	0.3
191.10718	0.2
207.06583	0.4
208.09723	0.3
209.11748	0.2
213.03894	0.2
215.10661	0.3
231.05139	0.2
233.06810	0.1
233.11646	0.2
250.10747	0.1
253.16605	3.0
271.05945	0.9
287.05527	0.3
288.06027	0.2
305.10947	1.7
307.15466	0.4
337.10785	0.3
355.12000	0.2
363.15524	0.2
373.09970	1.5
399.16223	0.2
400.16095	0.2
401.16223	0.3
415.21945	0.2
433.11966	0.2
483.20743	0.2
493.14478	0.2
499.12860	1.4
506.19797	0.4
517.14111	1.1
535.15192	3.4
535.45325	0.1
545.41144	0.1
553.16296	1.1
645.25787	0.4
663.27191	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	662.375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01993	2.5
53.03947	3.1
55.01875	5.3
55.05512	18.8
57.03440	14.7
61.02931	3.6
67.05504	48.1
68.05770	2.3
69.03438	5.4
69.07064	15.9
70.92040	2.2
70.92376	6.4
71.04987	8.5
72.08131	2.3
73.02932	2.8
79.05497	41.5
81.03423	54.5
81.07056	30.4
83.04985	18.6
83.08620	20.6
85.02901	22.2
85.06557	3.6
91.05475	35.6
93.07043	43.3
95.04978	23.1
95.08600	11.1
97.02887	5.6
97.06530	11.6
97.10151	12.0
105.07041	19.8
107.04953	7.0
107.08590	28.4
108.60313	2.2
108.86453	2.1
109.06513	7.0
109.10167	9.6
111.08089	8.4
117.07044	5.2
119.08586	17.1
121.06533	2.6
121.10124	13.9
123.08100	3.3
127.03929	4.5
129.06998	8.6
131.08566	7.6
133.06511	3.8
133.10120	15.2
135.08128	2.2
135.11690	34.0
137.05998	4.5
137.09610	2.8
145.10120	9.1
147.04488	2.8
147.08035	3.1
147.11690	9.4
149.09601	6.3
157.10155	8.9
163.11183	5.6
165.12769	4.7
173.09625	2.6
175.11206	9.7
178.73933	2.5
181.12248	6.2
184.07310	4.3
187.48767	2.7
193.12262	32.0
207.06563	5.2
211.13295	45.7
255.15919	70.1
267.15976	26.8
271.05954	2.5
285.16925	26.4
331.54147	2.5
421.25757	4.1
447.27444	72.8
465.28494	100.0
534.45557	2.4
662.32166	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01869	0.3
55.05491	0.5
57.03429	0.4
67.05496	0.8
69.03430	1.8
69.07066	2.5
70.06590	0.8
70.41032	0.8
70.41444	0.4
71.04964	0.3
72.08144	0.2
73.02926	0.6
79.05496	0.9
81.03423	1.5
81.07058	1.6
83.04971	0.6
83.08545	0.2
84.08112	0.3
85.02904	2.0
86.09694	0.5
87.04457	0.3
87.06714	3.4
91.05495	1.6
93.07022	0.9
94.06539	0.5
95.04978	0.7
95.08591	0.7
97.02892	1.3
97.06535	0.7
99.04462	0.3
105.07043	1.0
107.04955	0.4
107.08558	1.0
109.02854	1.5
109.06493	0.4
109.10167	0.7
111.04420	0.5
113.04594	0.5
115.05459	0.3
119.04945	0.9
119.08578	0.5
120.08089	0.3
121.02906	0.3
121.06532	0.5
121.10137	0.7
122.06025	0.9
123.04410	0.3
123.08058	0.3
123.11715	0.3
124.07549	0.3
125.05988	0.4
127.03929	1.5
129.01854	0.3
133.10143	0.3
135.04373	0.6
137.05910	1.2
140.07051	1.0
141.01799	0.3
141.04074	0.8
143.05640	100.0
144.06056	0.4
145.02853	1.3
145.04970	0.5
145.06364	0.3
145.10178	1.3
146.05997	0.5
147.04407	1.0
147.11684	0.5
149.05981	0.4
149.09572	0.4
149.13264	0.4
151.03891	0.5
151.07622	0.4
153.01807	0.7
159.08078	0.3
159.11711	0.5
160.07568	0.4
161.05904	0.5
162.20116	0.3
163.03906	2.1
163.07600	0.3
163.11121	0.5
167.07028	1.0
169.08710	0.3
173.04796	0.3
173.09669	0.4
175.03886	0.7
177.05449	3.3
185.06734	0.7
187.11243	0.6
191.10660	0.5
205.12251	0.4
207.06555	1.3
208.07028	0.4
208.09717	0.4
209.06772	0.3
211.08597	0.6
215.10655	0.8
221.10742	0.7
231.04955	0.3
233.11761	0.7
235.08698	0.8
236.09554	0.5
237.10229	0.6
247.08601	0.4
249.10214	3.4
250.10999	0.8
251.11790	2.8
252.12454	0.3
262.11002	0.4
263.08215	0.6
263.11765	1.1
264.12601	0.5
265.09827	0.5
265.13361	0.4
271.06018	10.6
272.06293	0.5
277.09805	2.2
279.11276	1.8
281.09238	0.6
287.05319	0.9
289.09729	0.3
291.11118	0.5
295.10849	1.0
297.12415	0.5
301.12244	0.3
305.11069	1.8
307.15408	1.0
309.12250	1.3
310.13168	0.7
311.13904	0.9
312.15051	0.5
313.07004	0.4
313.12503	0.4
315.13824	0.4
323.10220	1.7
323.13956	1.0
324.14734	0.4
326.12952	0.4
326.16693	0.7
328.10794	1.0
328.14447	0.8
329.11743	1.4
329.15399	0.3
330.12469	0.4
330.16061	0.3
337.11115	0.6
339.10751	0.5
340.10849	0.3
340.14563	0.8
341.11743	0.5
342.12369	0.9
343.13263	0.8
344.13950	2.5
344.17654	0.4
345.14822	0.4
352.14490	0.4
354.16330	0.4
355.13110	1.5
356.13876	1.9
357.14764	0.7
358.11707	0.4
358.15610	1.2
366.12271	0.3
368.13919	0.8
370.11823	0.8
371.12485	0.4
371.16547	0.4
372.13306	0.9
372.17230	0.9
373.09875	1.4
373.13727	0.3
373.17926	0.7
381.14563	0.3
382.15717	0.7
383.16516	0.7
384.13342	0.8
385.13959	0.7
385.18350	0.5
386.14841	1.4
386.19263	0.6
388.12909	0.4
396.13559	1.2
398.15021	0.6
399.15817	0.7
400.12912	1.1
400.16696	1.0
402.14557	1.0
403.15067	0.5
404.15918	0.8
410.15189	0.4
412.12823	0.5
414.13904	1.9
414.19162	0.5
415.14191	0.5
416.16055	0.7
417.17099	0.6
418.17676	0.8
426.14282	0.9
428.16202	1.8
430.13763	0.6
432.15585	0.9
433.16580	0.5
434.16962	0.3
442.18201	1.6
443.18246	0.5
444.15601	1.1
445.16055	1.0
446.17435	1.2
454.13885	1.3
456.15515	0.7
459.16956	0.3
460.18994	3.1
462.16214	0.3
472.15231	2.6
473.15854	6.8
474.16580	9.7
476.18384	1.8
477.18900	0.8
481.10870	0.3
487.17316	0.4
488.17715	0.9
490.15897	0.3
491.16818	0.5
492.17422	1.7
499.12878	1.5
504.17746	3.9
505.18430	19.6
506.19205	9.4
517.14154	1.6
522.18750	0.8
523.19397	3.1
535.15076	4.4
595.21875	1.0
609.34991	0.5
613.22803	4.0
627.24384	1.0
627.35223	0.6
631.23743	0.8
634.54810	0.3
645.25732	4.6
645.35718	0.5
663.26862	3.1
663.37085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04322	1.0
56.05368	1.5
59.67714	1.0
61.64211	1.3
65.30019	1.1
66.90549	1.1
82.03589	1.3
87.04462	2.4
95.45930	1.3
98.20685	2.7
150.16246	1.3
168.83261	1.2
221.10753	1.4
223.12167	1.6
267.15063	2.0
388.18076	1.4
403.19437	2.7
405.21146	1.5
430.18201	1.9
431.18848	3.9
433.23874	4.7
441.16977	1.4
444.19046	2.3
445.20105	4.3
446.17319	3.7
447.18054	5.6
448.18588	1.6
457.19955	1.3
459.21829	35.2
460.22482	3.9
461.19662	4.7
462.20386	3.8
473.23010	3.6
475.21194	25.1
476.21970	8.8
477.23297	5.9
487.25095	1.3
489.22916	2.5
503.20386	3.3
507.23718	1.5
519.23749	5.9
531.23492	2.9
533.22046	3.9
535.23016	9.1
536.23767	1.4
545.25220	2.0
547.27533	19.5
563.26508	14.0
565.24762	1.4
575.23370	1.7
590.25238	3.6
591.25464	2.6
593.23682	6.3
594.27899	2.5
602.27399	3.1
605.27490	3.7
606.28400	67.5
607.27997	7.6
622.27838	100.0
623.28027	3.6
630.27240	9.0
634.30585	3.1
662.29688	26.8
663.30237	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01871	4.7
55.05509	18.5
57.03440	22.5
57.07071	4.1
60.05127	1.7
61.02929	85.2
65.03934	2.3
67.05505	51.7
69.03429	28.9
69.06790	1.7
69.07076	20.8
69.26973	15.7
69.27385	5.4
71.01353	4.3
71.04994	5.3
73.02918	34.6
75.04498	3.4
79.05491	22.6
81.03426	26.1
81.07054	53.3
83.04981	6.6
83.06621	1.7
83.08619	8.6
85.02908	100.0
87.04461	4.8
91.03412	3.5
91.03955	56.9
91.05479	18.9
93.07039	22.8
95.04965	6.5
95.08607	36.2
97.02892	81.4
97.06517	5.1
97.10159	5.2
99.04455	13.3
101.02376	9.7
103.03941	8.8
105.07024	11.3
107.08608	11.2
109.02872	13.8
109.06515	3.2
109.10158	16.1
111.04443	5.7
111.08127	2.4
115.03911	7.2
117.05447	3.2
117.07007	5.2
119.08562	9.9
121.10159	10.1
123.04456	2.1
123.08060	2.7
123.11717	8.6
127.03903	34.8
129.05461	5.7
129.07024	2.5
131.08556	5.7
133.10114	9.9
135.11720	8.1
137.13277	3.9
143.08572	2.3
145.04953	20.9
145.10118	5.5
147.04448	2.2
147.11707	4.5
149.09622	2.1
149.13257	6.0
151.14815	2.3
159.06468	3.1
159.11710	2.5
161.13338	4.6
163.03937	1.8
163.05965	7.9
163.14816	5.3
173.09607	2.1
173.13283	2.3
175.14764	3.5
180.38849	1.7
183.06491	8.5
189.16388	3.1
201.07588	8.2
222.59268	1.9
245.22618	9.2
261.22134	2.6
263.23697	19.2
305.24661	2.4
317.24860	2.7
337.27362	83.1
338.27423	2.6
343.26160	2.4
350.27026	1.9
353.24451	2.8
365.26825	3.7
371.25864	4.5
379.28290	2.0
445.29581	3.0
463.30215	4.3
481.31284	9.7
661.38037	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	661.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02336	0.1
53.03952	0.1
55.01865	0.2
55.05504	0.8
55.21439	0.1
57.03420	0.1
57.07066	0.1
60.05639	0.1
60.86176	0.1
62.68045	0.1
63.02961	0.1
67.05501	0.7
68.99789	0.1
69.03412	0.4
69.07068	0.8
69.41387	0.8
70.06576	0.2
70.25898	0.1
71.02023	0.1
71.04966	0.1
71.08607	0.1
73.04022	0.1
79.05486	0.3
81.03411	0.6
81.07055	1.5
83.02452	0.2
83.04974	0.3
83.08603	0.3
84.08135	0.3
85.02891	0.3
87.06711	3.2
91.05473	0.6
93.07027	0.7
95.04945	0.3
95.08619	1.0
97.02882	0.3
97.06539	0.2
97.10159	1.2
99.04411	0.1
99.08095	0.1
105.07043	0.5
105.51469	0.1
107.04906	0.2
107.08605	0.7
109.02863	0.4
109.06544	0.1
109.10154	0.9
111.04395	0.1
112.07596	0.1
113.04567	0.1
119.04913	0.2
119.08572	0.4
121.10155	0.5
123.04395	0.2
123.08105	0.2
123.11707	0.6
125.04560	0.2
125.09627	0.2
126.03012	0.1
127.03886	0.3
131.08524	0.1
133.10114	0.3
135.04382	0.1
135.08008	0.1
135.11696	0.3
137.02264	0.1
137.05943	0.2
140.18954	0.1
140.68213	0.1
141.04071	0.7
143.05635	100.0
144.06093	0.6
145.02835	0.2
145.06473	0.1
145.10144	0.2
147.04399	0.3
147.11688	0.3
149.09567	0.1
149.13200	0.1
151.03842	0.4
153.05441	0.1
153.12657	0.1
159.11670	0.1
161.13266	0.1
163.03925	0.2
167.07060	0.4
175.03897	0.1
175.14824	0.1
177.05460	0.4
181.04984	0.2
185.06660	0.2
187.14731	0.1
189.11176	0.1
191.06891	0.1
201.05399	0.1
207.06573	0.6
233.08276	0.1
258.59711	0.1
271.05878	0.1
278.20853	0.1
287.05533	0.5
287.10144	0.1
293.47360	0.1
303.08588	0.2
303.23334	0.1
305.10968	0.3
353.10004	0.1
359.14920	0.3
429.26202	0.2
447.27335	0.1
542.96619	0.1
610.44110	0.1
613.34497	1.7
625.34418	2.7
626.34473	0.2
643.35443	8.1
644.35626	0.4
658.61810	0.1
661.36682	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
57.03431	0.2
60.03846	0.1
60.05633	0.2
65.03930	0.1
65.69484	0.1
67.05502	0.6
69.03410	0.5
69.07069	0.6
69.83152	0.1
70.06579	0.1
70.86168	0.3
70.86525	0.2
71.04971	0.1
72.08141	0.1
79.05477	0.6
81.03410	0.5
81.07059	1.5
83.08605	0.2
84.08140	0.2
85.02926	0.6
85.06531	0.2
87.06714	3.0
89.56918	0.1
91.05476	0.8
93.07061	0.9
95.04952	0.5
95.08607	1.0
95.78403	0.1
97.02895	0.4
97.06526	0.3
97.10169	2.3
99.04453	0.2
100.25405	0.1
105.07047	0.7
107.04931	0.2
107.08583	1.0
109.02881	0.3
109.06536	0.1
109.10165	0.6
111.08080	0.1
113.04588	0.1
117.03356	0.2
119.04960	0.2
119.08572	0.4
121.06519	0.2
121.10157	0.4
123.04465	0.1
123.11726	0.7
125.04618	0.2
125.05938	0.1
125.09649	0.6
127.03908	0.5
131.08565	0.2
133.10132	0.4
135.04436	0.1
135.07956	0.2
135.11684	0.7
137.02277	0.1
137.05937	0.3
141.04073	0.7
143.05640	100.0
144.04153	0.2
144.05978	0.5
145.02859	0.3
145.10130	0.3
147.03345	0.1
147.04417	0.4
147.11688	0.3
149.05974	0.2
149.13277	0.3
151.03940	0.1
151.07510	0.4
151.11159	0.1
153.05460	0.1
153.12694	0.2
159.11780	0.2
160.04308	0.1
161.05986	0.1
161.13264	0.2
165.05493	0.1
165.09071	0.2
167.07011	1.0
170.93275	0.1
175.03885	0.3
175.14677	0.1
177.05426	0.7
177.12701	0.3
179.07033	0.2
181.04933	0.2
185.06679	0.2
205.12486	0.1
205.15868	0.2
207.06528	0.7
269.17426	0.4
270.17859	0.5
271.06201	0.1
287.05505	0.2
303.23306	0.2
305.10788	0.3
322.20239	0.1
331.08356	0.1
447.27304	0.3
536.18884	0.2
595.32831	0.3
607.33411	0.5
613.34302	1.0
625.34387	3.4
643.35455	6.5
644.35669	0.2
661.24335	0.6
661.36304	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
61.02937	0.4
65.58108	0.2
67.05517	0.4
68.73910	0.2
70.66322	0.8
79.05496	0.4
81.07069	0.7
83.08588	0.3
85.02923	0.6
87.03377	0.3
91.03956	0.4
91.05495	1.1
93.07051	0.6
93.90813	0.2
99.02808	0.3
105.07050	0.5
109.10200	0.3
117.07016	0.3
119.08661	0.4
124.85926	0.3
131.08601	0.3
133.10144	0.3
137.19992	0.3
173.09460	0.3
185.04327	0.4
203.05370	0.4
243.08487	0.9
269.17517	0.3
313.08923	0.5
404.03479	0.3
413.22992	0.6
415.24680	0.5
443.23914	3.3
444.18152	0.4
444.24777	0.3
457.15250	1.0
464.31204	0.8
471.16400	0.4
471.27206	0.4
472.17618	1.1
481.25653	0.5
499.26569	3.5
559.21796	1.5
565.08099	0.3
619.24316	2.8
620.24652	0.6
633.32471	1.0
661.32050	100.0
662.32495	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	661.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82200	0.1
53.03944	0.2
55.05507	1.1
57.03442	0.2
67.05507	1.1
69.03437	0.8
69.07061	0.7
70.06564	0.3
71.04992	0.2
71.60418	0.2
73.04037	0.2
74.21933	0.2
79.05502	0.8
81.03417	0.8
81.07059	2.2
83.04976	0.2
83.08611	0.4
84.08127	0.2
85.02914	0.7
85.06557	0.4
86.09721	0.4
87.06724	3.5
89.06030	0.2
91.05483	1.1
93.07041	1.1
95.04967	0.7
95.08614	1.3
97.02890	0.7
97.06524	0.5
97.10193	0.8
99.04462	0.3
105.07037	1.1
107.04926	0.3
107.08594	1.1
109.02885	0.5
109.06510	0.1
109.10192	0.7
109.35450	0.2
111.08133	0.2
117.03406	0.2
117.07024	0.2
118.54484	0.2
119.04934	0.4
119.08571	0.6
121.06548	0.3
121.10149	0.7
122.06051	0.1
123.04470	0.3
123.08094	0.3
123.11733	0.8
124.07579	0.3
125.09638	0.3
126.03018	0.3
127.03915	0.7
129.06985	0.2
131.08569	0.3
133.10138	0.7
135.04385	0.2
135.08122	0.2
135.11722	0.4
136.07610	0.2
137.05956	0.8
138.36945	0.2
140.06982	0.2
141.04077	0.7
143.05647	100.0
144.04137	0.3
144.05966	0.7
145.02844	0.4
145.06516	0.2
145.10123	0.4
147.04381	0.8
147.11678	0.4
149.05998	0.3
149.09552	0.3
149.13274	0.3
151.04008	0.3
151.11197	0.2
158.39336	0.2
158.40660	0.1
159.11723	0.2
161.05992	0.2
161.13274	0.3
163.03966	0.3
165.05469	0.5
167.07019	1.2
171.11690	0.2
175.03943	0.6
175.11081	0.2
175.14822	0.3
177.05458	1.0
179.07008	0.2
181.04968	0.4
185.06740	0.3
187.11211	0.3
191.07059	0.2
207.06575	1.0
209.08167	0.2
270.18063	0.2
271.05832	0.2
272.11450	0.2
287.05621	0.7
303.23364	0.3
339.13342	0.5
371.16092	0.3
399.15414	1.3
417.15503	0.3
447.27414	0.4
450.98917	0.2
465.28696	0.4
473.22348	0.9
480.48120	0.2
483.29919	0.2
538.22217	0.2
607.33868	0.4
613.34308	0.6
625.34363	2.0
629.25806	0.4
643.24915	0.3
643.35541	3.8
661.36847	4.7
662.36041	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	661.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	0.5
69.03402	0.3
69.07044	0.5
70.19503	0.8
79.05469	0.3
81.03395	0.4
81.07006	0.5
83.04937	0.3
84.89615	0.2
85.02898	0.4
86.09677	0.2
91.05444	0.6
93.07032	0.3
93.15530	0.2
94.62731	0.2
95.08578	0.4
97.02861	0.5
98.20823	0.2
103.03861	0.2
105.07007	0.5
107.08560	0.4
109.02859	0.5
109.06511	0.2
109.10140	0.3
119.04887	0.5
119.08544	0.5
121.02824	0.2
121.10148	0.2
122.06017	0.4
123.04406	0.3
123.08032	0.2
127.03889	0.5
133.10063	0.2
134.05995	0.2
135.04401	0.3
136.07593	0.3
137.05927	0.5
140.07040	0.2
143.05617	1.8
145.02806	0.2
145.10106	0.3
147.03198	0.2
147.04387	0.5
147.11708	0.3
151.04007	0.3
152.07042	1.1
163.03844	0.3
164.07091	0.3
166.08617	0.5
167.06993	0.6
175.03848	0.6
175.07457	0.2
177.05475	0.6
177.33092	0.2
181.04855	0.2
192.06595	0.2
194.08110	1.9
207.06557	1.3
221.10622	0.3
222.11334	0.2
223.08620	0.5
223.12297	0.5
225.10309	0.4
235.08664	0.8
236.09370	0.4
237.10197	1.7
249.10246	6.3
250.11006	2.1
251.08263	1.0
251.11772	3.4
252.12447	0.6
253.09631	0.2
253.13426	0.2
254.10500	0.2
261.10245	0.6
262.10898	0.4
263.08246	0.5
263.11761	0.9
264.08878	0.9
265.09695	7.4
265.13260	0.5
266.10333	0.4
267.11151	0.4
268.11993	0.3
269.12622	0.3
277.09705	2.9
278.10483	6.2
279.07654	7.6
279.11267	9.2
280.11868	0.8
281.09375	0.2
281.12866	0.5
282.09961	0.6
282.13306	0.2
283.10742	0.3
287.05414	1.2
289.09628	0.3
291.07965	0.2
291.11157	0.3
292.08176	0.3
293.09204	1.6
293.12769	8.1
294.10065	0.3
294.13409	0.4
295.10806	0.7
295.14450	0.6
296.11639	0.9
297.12430	1.1
301.06973	0.2
303.08429	0.2
305.09192	1.1
306.10059	0.9
307.10745	2.7
308.11484	0.8
309.08789	0.5
309.12241	2.0
310.09515	0.6
310.12857	0.2
311.10361	5.3
311.13904	1.2
313.12286	0.2
321.12299	0.9
322.13028	0.5
323.10150	0.9
323.14008	0.7
324.10818	1.4
325.11804	3.6
326.12552	0.7
327.13446	0.2
333.08838	1.3
334.09406	0.3
337.11844	0.8
338.12796	1.1
339.13388	30.4
340.14001	0.9
341.11563	0.5
342.12244	0.4
343.13171	0.2
349.11560	0.3
351.09747	3.7
352.10507	1.9
352.14609	0.3
353.10828	0.4
353.14917	2.3
354.12222	0.7
355.13132	0.7
356.13922	1.0
359.14761	0.3
366.12152	3.8
366.16690	0.2
367.12842	5.9
367.16901	0.3
368.13834	0.5
369.14560	2.3
370.15402	0.7
371.15945	0.8
380.13831	0.7
381.14911	0.3
383.12228	0.6
384.13083	2.5
384.17123	0.4
385.13388	0.3
385.17731	0.3
397.13983	0.6
398.14758	3.8
399.15500	100.0
400.16058	1.8
401.13583	0.8
412.16843	0.3
414.14340	0.7
427.73160	0.2
429.16791	0.4
430.17603	0.6
432.19131	0.2
444.19049	0.4
456.15878	0.4
457.16336	1.9
458.17142	1.3
460.18665	1.2
474.16714	0.2
488.18033	0.6
489.18906	6.5
490.19699	1.5
492.21375	1.0
506.19354	0.4
508.20959	0.4
538.21826	18.3
539.22595	6.0
579.21503	0.2
597.23541	1.5
611.24329	0.2
629.25977	2.3
661.27637	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.9
57.03429	0.9
67.05507	3.0
69.03423	1.4
69.07057	1.9
71.22487	2.1
76.83810	0.9
79.05501	2.2
81.03419	1.9
81.07066	2.9
83.08632	1.1
85.02948	1.0
91.05490	4.1
92.66507	0.9
93.07055	2.8
95.04987	1.4
95.08611	2.6
97.02902	0.8
99.04462	0.9
101.93401	1.0
105.07037	2.4
107.04962	1.2
107.08595	1.4
109.02891	1.2
109.10192	1.1
111.44741	0.9
119.04961	0.9
119.08585	2.4
121.10133	1.0
127.03902	1.2
130.49988	0.9
131.08611	1.9
133.10182	1.2
135.11690	0.9
143.05724	1.0
145.10150	1.3
147.07996	1.2
167.07062	1.5
177.05426	1.3
184.07547	1.1
207.06517	1.8
267.70209	0.9
287.05524	1.4
297.80884	1.0
408.19467	1.1
414.98938	1.1
415.13458	1.4
415.18155	1.4
416.14609	1.2
417.15552	1.2
428.14969	1.1
429.15723	7.4
430.16638	3.5
431.17172	7.0
442.17093	1.8
443.12228	1.4
443.18036	4.8
444.17953	9.3
445.19031	1.8
447.17010	1.1
454.16327	2.7
455.17191	2.7
456.18048	3.2
457.14395	16.8
458.20328	1.1
459.16437	1.1
464.31088	1.4
467.17401	1.5
469.19193	5.9
471.15967	4.8
472.17422	26.2
473.18649	1.4
474.19437	1.8
496.17624	1.7
497.18323	4.0
499.20395	1.2
500.17337	3.2
501.17874	1.6
515.19318	3.5
516.20563	1.3
530.21875	1.1
531.22479	8.3
556.19299	3.0
559.21906	56.3
560.22351	2.7
577.23499	1.6
587.21326	5.2
597.20239	1.0
618.23309	5.1
619.24036	100.0
620.24152	3.3
629.22302	8.7
643.23920	1.8
661.25055	80.4
662.24774	4.5
669.17316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05503	0.5
56.96566	0.5
57.03433	0.7
67.05495	1.3
69.03423	1.3
69.07073	0.5
70.06561	0.5
71.04996	0.8
71.60529	0.5
71.60931	0.6
73.02898	0.5
79.01608	0.6
79.05488	1.3
81.03407	0.9
81.07051	1.4
82.00313	1.1
83.05000	0.6
85.02898	1.1
86.09717	0.5
89.05466	0.4
91.05491	3.7
93.07043	1.0
95.04972	0.9
95.08604	1.1
97.02882	0.9
97.06512	0.6
103.05475	1.6
105.07028	4.2
107.08613	1.0
109.02853	0.7
109.06511	0.9
109.10129	0.6
112.69606	0.4
118.04160	4.0
119.04945	2.6
119.08572	0.7
120.08104	0.5
121.06514	0.8
123.04407	0.7
124.05205	1.7
127.00072	0.7
127.05368	0.4
131.04915	0.7
133.06482	4.3
133.10144	1.1
134.07184	0.5
135.04472	0.5
135.08078	0.9
137.05948	2.2
139.03764	0.6
141.05229	1.1
143.05652	1.8
145.02856	0.6
145.10138	0.8
146.32941	0.5
147.04398	2.5
147.11664	0.9
150.06787	1.3
151.07552	1.1
153.01668	0.8
161.06062	1.0
161.09596	0.6
165.09131	1.9
167.07098	1.2
173.35408	0.5
175.03899	1.2
176.04431	1.0
177.05444	1.3
179.06989	0.7
181.04813	0.8
184.07422	0.9
185.04225	1.2
193.08611	8.8
201.05296	2.0
202.05983	2.2
203.05223	1.6
207.06523	3.4
213.10240	0.4
216.07573	18.5
217.08382	1.3
227.05347	1.5
243.04825	1.1
243.11337	1.1
245.06332	4.1
253.03337	1.1
267.11288	0.8
271.04077	2.5
285.12408	1.6
287.05798	2.3
289.05310	21.7
313.11917	0.7
317.15094	1.3
339.13449	1.6
365.13547	2.1
373.14008	1.6
385.13666	0.6
395.14774	1.1
399.15628	5.0
413.16177	2.2
489.18866	0.6
508.20856	0.9
538.21570	0.7
575.20837	6.1
617.22058	54.5
629.24939	0.9
643.24725	0.5
661.20990	100.0
662.21460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03176	0.4
53.03938	1.1
55.01862	1.2
55.05514	5.9
56.53001	0.4
57.03189	0.5
57.03439	6.9
57.07072	0.9
61.02921	1.9
65.03933	0.9
65.36971	0.5
67.05507	35.6
69.03414	0.8
69.07072	12.5
71.04996	2.4
71.07514	0.5
73.02898	0.5
79.05497	18.6
81.03415	1.4
81.07059	43.9
83.04983	4.0
83.08626	7.9
85.02901	2.3
85.06535	2.4
91.05482	9.1
93.07046	32.4
95.04986	3.0
95.08607	10.3
97.02882	1.0
97.06528	6.3
97.10145	1.3
99.08089	1.6
105.07040	4.0
107.08601	18.5
107.48022	0.4
109.06540	1.9
109.10133	2.1
111.08086	3.4
111.11671	0.4
113.05978	0.7
113.09618	0.8
117.07028	4.9
119.08587	1.5
121.06490	0.6
121.09322	0.8
121.10144	11.6
123.11716	1.1
125.09621	0.8
129.07053	0.5
131.08572	5.0
133.10132	4.4
135.08076	1.2
135.11688	4.8
139.11189	1.2
147.11673	0.8
149.09598	0.5
149.13260	18.6
151.11226	0.8
157.10077	0.6
159.11703	7.6
177.12730	3.6
195.13821	7.7
195.15491	0.6
213.14825	1.4
235.89616	0.5
253.14432	0.5
269.17487	54.1
270.17905	0.8
287.75549	0.4
383.22275	0.4
463.30557	100.0
464.31076	2.3
502.31015	0.4
544.59961	0.5
660.42914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.01870	1.4
55.05514	6.9
56.96576	0.7
57.03442	4.8
57.07069	1.1
58.80676	0.5
61.02936	2.9
65.03942	1.2
65.11370	0.5
67.05508	28.9
68.05818	0.6
69.03425	1.5
69.07071	9.8
69.75676	3.6
71.05013	2.6
71.08627	0.7
73.02914	0.9
75.49857	0.5
76.63335	0.5
79.05498	19.4
79.05963	1.0
81.03430	3.5
81.07060	40.4
83.04987	3.3
83.08629	8.2
85.02915	2.5
85.06538	2.4
91.03948	0.9
91.05486	14.2
93.07048	29.4
95.04980	4.3
95.08610	12.7
97.02905	1.6
97.06535	5.3
97.10155	1.8
99.08085	1.7
105.07038	8.2
107.04978	1.2
107.08601	15.9
107.09296	1.2
109.06541	1.9
109.10151	3.4
111.08073	3.1
117.07017	5.6
119.08598	4.7
121.06524	2.1
121.10147	10.1
123.08084	1.1
123.11702	2.5
127.03860	1.2
129.07019	3.8
131.08571	8.2
133.10135	9.7
135.08072	1.2
135.11696	6.0
139.11165	0.8
143.08537	2.5
145.10132	3.6
147.11717	2.2
147.86392	0.5
149.09668	1.8
149.13263	12.3
149.14360	0.9
151.11221	1.3
155.08554	1.3
157.10167	2.2
159.11697	6.8
161.09589	0.7
163.11237	0.5
169.10159	1.2
171.11734	1.1
173.13153	0.7
177.12721	3.0
183.11725	0.9
185.13303	1.0
187.14804	0.5
195.12029	0.7
195.13802	7.8
197.13251	0.9
213.14839	1.1
228.32959	0.6
251.16460	2.3
267.16006	1.1
269.17490	28.3
335.23718	0.6
343.26617	1.0
349.16937	0.7
350.17108	0.6
353.24780	2.2
371.25839	2.6
389.26889	1.6
413.21866	0.9
427.28131	0.5
445.29517	16.4
446.29791	0.6
463.30566	100.0
464.31274	2.8
481.31482	1.4
589.33826	0.6
607.34937	3.5
661.32300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58084	0.5
53.03938	1.3
55.01854	1.2
55.05509	7.3
56.96552	1.3
57.02191	0.6
57.03437	5.3
57.07063	0.9
61.02923	3.6
65.03933	1.1
67.05502	32.0
69.03423	1.8
69.06714	1.0
69.07065	12.8
69.49999	2.4
69.50429	2.4
71.04997	3.0
73.02893	1.2
74.08340	0.6
74.68324	0.7
79.05491	21.3
81.03407	2.4
81.07053	43.6
83.04987	3.2
83.08614	8.5
84.08118	0.5
85.02906	4.1
85.06538	2.8
91.03923	0.8
91.05479	16.0
91.56293	0.6
93.07039	31.6
94.07382	0.6
95.04978	4.6
95.08610	15.4
97.02879	2.1
97.06526	6.5
97.10160	1.9
99.04458	0.9
99.08066	1.0
103.05476	0.6
105.07030	8.9
107.04948	1.7
107.08592	17.1
109.02840	0.6
109.06512	2.6
109.10165	4.0
111.04455	0.6
111.08106	3.7
117.07021	7.9
119.08567	4.9
121.06483	2.4
121.10138	9.2
123.08062	1.4
123.11667	2.2
129.06995	1.6
131.08572	9.4
133.10127	8.9
135.08063	2.0
135.11681	5.2
137.09622	0.9
141.07013	0.7
143.08563	2.6
145.10114	2.6
147.11687	2.7
149.02351	1.0
149.09621	1.3
149.13260	13.0
151.11128	1.3
155.08521	0.9
157.10159	1.9
159.11668	8.0
167.07086	0.6
167.14389	0.6
169.10188	1.0
171.11713	0.6
173.13309	1.1
177.12811	3.0
181.10100	0.9
183.11728	1.0
185.13310	0.8
187.14748	1.1
193.05020	0.9
195.13789	7.3
200.30415	0.6
211.14946	0.6
213.14795	0.8
232.99670	0.5
237.07643	3.0
251.16437	1.9
269.10672	2.3
269.17471	31.1
283.15036	0.7
287.11865	1.3
287.16309	0.6
325.24738	0.7
335.23401	0.8
341.16296	3.0
341.66498	0.9
343.26205	1.0
350.17462	0.6
353.24741	1.4
354.70746	0.7
368.18530	1.0
371.25574	2.8
389.26801	1.8
395.04135	0.6
413.21915	0.8
427.28494	1.0
445.29507	18.8
463.30539	100.0
464.30972	2.2
481.31631	1.6
607.34955	5.0
660.43677	1.3
661.15308	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	660.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01859	1.0
55.05513	5.0
57.03437	4.1
57.07070	1.1
61.02917	2.0
63.23367	0.6
65.03941	1.3
67.05505	26.2
69.03423	0.9
69.07072	8.3
69.87936	4.3
71.04987	2.9
79.05489	15.8
81.03422	1.9
81.07056	31.1
83.04974	2.5
83.08620	7.0
85.02891	2.0
85.06548	1.7
91.03969	1.0
91.05481	11.5
93.07043	24.3
95.04972	3.1
95.08612	9.2
97.02882	1.6
97.06534	5.8
97.10190	0.7
99.04448	1.1
99.08102	1.6
105.07030	6.5
107.04959	1.0
107.08601	12.5
109.06493	1.1
109.10149	3.1
111.08057	3.0
113.09632	1.0
117.07036	5.5
117.20663	0.7
119.08596	3.3
121.06516	1.5
121.10139	7.3
123.04356	0.8
123.11729	1.8
127.04008	0.7
129.06993	1.5
131.08574	7.8
133.10138	7.9
135.08069	1.6
135.11676	4.9
139.11214	0.9
143.08566	2.4
145.10136	2.1
147.11726	1.0
149.13252	11.8
151.11238	1.0
157.10133	1.2
159.11694	6.6
171.11647	1.2
177.12782	2.3
183.11827	0.8
185.13086	1.0
195.13766	5.7
213.14784	0.8
219.87779	0.8
251.16435	1.7
269.17450	26.9
302.57523	0.7
335.23633	1.0
353.24905	1.9
371.25842	2.0
379.86209	0.8
389.26813	1.5
445.29568	13.3
463.30554	100.0
464.30923	1.5
607.34875	2.3
660.20844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
53.03939	6.8
55.01873	14.2
55.05512	30.0
57.03437	23.5
57.07067	2.3
64.29925	1.5
65.03941	7.1
67.05502	100.0
69.03433	4.9
69.06715	2.8
69.07061	22.0
71.01337	4.0
71.04985	5.5
71.08610	1.3
77.03907	1.8
77.61280	1.3
79.05489	73.2
80.06279	3.8
81.03410	13.3
81.07056	78.5
83.01329	1.7
83.04975	21.9
83.08617	10.0
83.09414	1.4
84.95127	1.3
85.02882	2.2
85.06535	4.0
91.04889	2.3
91.05476	66.3
93.07040	67.2
94.04198	1.4
95.04965	45.5
95.08601	58.0
96.05769	1.8
97.02883	4.8
97.06520	8.2
97.10166	5.1
98.07327	2.9
98.20734	4.8
99.04380	1.5
99.08064	2.5
103.05467	4.8
105.04530	2.0
105.07027	49.4
107.04952	49.9
107.08592	26.9
108.05753	3.9
109.06515	19.7
109.10150	22.9
110.07323	1.8
111.04436	7.8
111.08066	3.9
112.05230	6.4
113.05995	5.4
115.05444	4.6
117.07016	26.1
119.04963	5.5
119.08585	27.8
120.09457	1.3
121.06493	13.3
121.10151	19.6
122.07272	17.1
123.04459	7.9
123.08056	7.5
123.11685	5.7
125.05984	2.8
125.09671	1.6
127.07581	1.6
128.06238	8.0
129.07021	13.2
130.07706	2.5
131.04947	2.8
131.08548	26.2
133.06511	16.7
133.10123	16.8
135.08052	12.5
135.11662	14.6
137.05948	2.1
137.09613	3.6
141.06953	4.9
142.07745	2.3
142.26155	1.4
143.08559	8.3
145.06511	7.2
145.10103	14.7
147.08035	23.2
147.11668	8.3
149.05965	1.5
149.09601	6.4
149.13245	7.7
151.07541	3.5
155.08571	4.2
157.10097	4.6
159.08078	5.4
159.11681	9.5
161.09621	19.4
161.13254	6.2
162.10408	3.6
163.07567	1.9
163.11198	6.1
165.09058	2.2
169.10088	3.0
171.08089	1.6
171.11665	4.2
173.09660	2.5
173.13304	5.1
175.11163	5.7
177.12686	3.9
178.13542	1.4
185.13234	3.4
187.11188	3.9
187.14822	5.1
189.12709	3.3
193.11951	1.7
195.11746	1.6
197.13274	3.9
199.14761	1.6
203.14328	4.4
205.15842	3.8
215.14294	3.7
216.15097	1.8
217.15941	2.0
229.41351	1.8
233.15356	13.6
243.21342	1.7
249.14848	2.3
251.16425	2.9
261.14996	1.8
261.18347	1.7
261.22229	3.3
271.16888	1.6
273.18518	11.7
275.19904	1.8
279.15750	1.8
279.20560	1.7
289.17896	3.3
290.18726	13.8
291.19681	3.8
294.08725	1.6
307.18942	7.3
319.07211	1.5
325.20007	3.4
335.25772	99.6
336.26096	1.8
347.22180	2.6
349.23621	1.9
381.22708	15.4
405.48975	1.5
489.35693	6.4
513.40027	1.6
567.40533	9.1
595.39746	16.8
641.44208	29.9
659.28772	18.8
659.45020	2.0
660.28528	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.3
53.03959	9.6
55.01876	17.4
55.05271	2.5
55.05516	31.4
56.92393	1.9
57.03439	22.0
57.07056	5.4
64.19054	2.3
65.03933	6.4
67.05506	100.0
67.18678	1.7
69.03420	6.8
69.07071	27.7
71.01334	3.2
71.04981	4.7
71.08636	2.7
77.03973	1.9
79.05493	76.9
80.06285	2.4
81.03425	11.9
81.07057	88.3
82.04185	2.3
83.04984	21.0
83.08611	14.2
85.02946	2.2
85.06530	7.1
89.19439	1.9
91.05482	84.4
93.07046	76.0
93.07645	3.7
94.04190	2.6
95.04970	54.5
95.08606	58.8
97.02884	6.0
97.06559	11.9
97.10161	7.7
98.07356	1.9
98.21515	4.8
99.04413	2.5
99.08071	2.4
103.05479	4.4
105.07036	60.0
107.04959	64.7
107.08591	36.4
108.05766	3.2
109.06523	25.1
109.10160	26.0
110.07330	1.9
111.04430	8.1
111.08079	6.3
112.05212	3.9
113.05997	5.5
115.05437	7.0
117.07014	29.2
119.04958	5.5
119.08584	37.3
119.68059	2.0
120.05692	2.9
121.06513	16.3
121.10147	24.0
122.07296	20.1
123.04456	5.8
123.08071	10.6
123.11729	4.6
125.05992	5.0
125.09647	2.6
128.06248	9.7
129.07011	16.2
131.04951	3.4
131.08563	23.8
133.06499	24.0
133.10127	21.5
135.08051	12.6
135.11688	16.3
137.09605	7.5
141.06993	4.6
143.08577	14.4
145.06520	12.5
145.10115	19.9
147.08049	31.8
147.11702	12.7
149.05975	2.2
149.09624	8.1
149.13266	5.6
151.07507	2.8
151.11206	3.4
155.08533	6.9
157.06522	3.1
157.10141	5.0
159.08023	4.4
159.11708	12.0
161.09628	23.5
161.13264	5.8
162.10385	4.1
163.07657	2.2
163.11163	8.5
165.09157	3.7
169.10123	6.1
171.07947	3.6
171.11688	5.9
173.09648	4.6
173.13264	6.4
175.11172	5.4
175.14709	2.8
177.12805	5.0
179.14272	5.1
183.11719	2.3
185.13356	4.5
187.11157	4.8
187.14838	5.3
189.11267	2.3
189.12827	3.8
197.13269	3.1
203.14371	3.1
205.12288	3.0
205.15866	4.2
215.14384	4.2
233.15350	13.9
261.14874	2.1
273.18484	13.8
275.19974	4.4
277.21454	3.0
289.18005	6.9
290.18771	15.3
291.19360	10.3
307.19009	8.9
325.19946	5.5
335.18851	3.7
335.25800	53.1
336.26282	2.7
349.23877	3.0
363.21451	2.5
365.23184	2.8
381.22620	20.3
513.38672	2.1
567.40521	10.0
595.39856	22.5
623.41687	2.7
641.44141	33.8
642.44336	2.6
659.45203	2.9
686.57684	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14968	1.6
51.02375	1.9
53.03951	8.3
55.01879	13.9
55.05274	2.1
55.05515	28.5
57.03199	1.9
57.03440	21.4
57.07073	1.4
61.82585	1.4
65.03942	6.8
65.53428	1.4
67.05508	100.0
69.03426	4.4
69.06721	2.1
69.07069	23.6
71.01347	3.4
71.04986	4.5
79.05498	68.5
80.06290	2.3
81.03424	12.2
81.07061	73.1
83.04975	18.3
83.08621	10.1
85.02922	1.7
85.06541	5.1
91.05485	68.7
93.07050	64.6
93.07638	3.3
93.54258	1.5
95.04979	40.6
95.08612	54.7
95.63761	1.4
95.74432	1.4
97.02885	3.6
97.06528	12.0
97.10147	4.7
98.20787	3.5
99.04472	1.8
99.08087	2.7
99.43551	1.3
103.05473	3.2
105.04518	2.8
105.07038	47.6
107.04957	48.6
107.08597	32.1
108.05755	2.3
109.06527	20.7
109.09465	2.4
109.10156	26.4
110.07276	3.0
111.04450	9.6
111.08085	4.8
112.05193	4.9
113.06003	5.8
113.09696	1.8
115.05455	4.4
117.07019	23.2
119.04932	4.3
119.07803	2.5
119.08591	29.3
121.06512	13.4
121.10143	21.8
122.07302	14.3
123.04422	5.6
123.08062	8.4
123.11714	5.4
125.06000	3.3
125.09631	2.8
127.09621	1.4
128.06200	8.7
129.07018	13.5
130.49240	1.4
131.04933	3.4
131.08575	25.8
133.06505	18.2
133.10138	18.4
135.04428	2.2
135.08055	12.1
135.11688	15.2
137.05991	2.2
137.09615	7.1
139.11194	2.0
141.06975	4.3
142.07770	2.4
143.08566	8.8
144.09308	1.8
145.06503	10.9
145.10115	15.2
147.08060	24.3
147.11743	7.4
149.09619	4.1
149.13280	6.8
151.07503	4.7
155.08548	3.7
157.10110	5.4
159.08040	4.5
159.11667	9.3
161.09621	18.9
161.13258	4.5
162.10329	3.0
163.07593	1.7
163.11180	6.0
165.09149	3.7
169.10110	5.5
171.11664	4.6
173.09642	5.7
173.13297	4.5
175.11209	4.3
175.14842	1.9
177.12740	3.9
179.14299	1.7
182.78340	1.5
183.11682	3.0
185.13263	3.2
187.11145	5.5
187.14824	2.5
189.12704	1.8
195.22475	1.4
197.13246	3.0
199.14821	1.5
203.14333	3.7
205.15926	4.4
213.12857	1.9
215.14314	4.5
217.15964	1.7
229.38417	1.7
231.13821	1.8
233.15331	11.8
239.16388	1.4
243.21106	1.9
251.16396	3.1
261.14862	2.0
261.18475	1.6
261.22055	2.5
271.16882	2.4
273.18521	10.6
275.20038	2.9
277.21671	1.7
289.18063	7.2
290.18805	9.4
291.19461	5.2
307.19125	6.9
325.20029	2.7
334.70087	1.7
335.18677	3.9
335.25815	95.9
336.26068	2.4
347.21896	2.2
363.21362	1.9
381.22745	15.5
421.78378	1.6
449.22504	1.5
474.97568	1.6
502.62701	1.7
567.40375	9.2
583.39423	2.0
595.40070	14.2
607.42340	1.7
623.42877	2.2
625.43536	2.1
640.28168	1.6
641.44135	30.7
647.23303	1.9
659.25708	1.9
659.47687	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	659.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05516	6.7
56.96302	2.6
56.96571	42.0
57.03437	2.8
59.50651	1.1
60.51471	1.0
61.02905	1.9
67.05506	12.5
69.07071	7.2
71.04969	1.8
71.60645	1.7
71.95248	2.4
72.96037	1.3
75.77927	1.2
77.27505	1.2
79.05499	8.9
79.39989	1.6
81.03404	2.1
81.07063	15.4
83.04974	3.1
84.96023	1.6
85.02910	2.7
91.05484	9.5
93.07059	10.0
95.04976	3.1
95.08607	8.1
97.02869	2.8
97.06526	4.0
97.10178	1.7
99.08128	1.2
105.07049	9.2
107.04958	3.8
107.08614	7.5
109.06526	3.2
109.10147	3.7
117.07009	2.8
119.08582	5.1
121.10137	5.2
123.01183	1.6
123.08055	2.5
125.09660	2.1
126.53839	1.3
127.03987	1.4
131.08585	4.3
133.10117	4.2
135.08052	2.0
135.11673	1.7
145.10141	2.4
146.99652	4.6
147.11681	2.8
149.09624	2.0
155.03781	1.9
159.11664	3.0
161.13293	1.2
163.11195	2.4
169.01807	2.4
171.03290	4.6
173.04794	2.1
173.13297	1.6
183.03383	1.8
183.11600	1.5
185.04898	5.0
187.02724	2.0
187.06563	1.3
189.04402	5.9
193.03815	1.4
197.04916	1.9
199.06432	6.1
201.04420	1.8
203.05934	9.6
205.07428	2.6
211.06313	3.1
213.06041	2.0
213.07961	16.2
217.07426	12.7
221.08513	2.1
225.08051	6.9
227.06024	1.6
227.09514	3.3
229.07399	3.2
231.06949	1.6
231.09030	26.4
236.09546	2.3
237.07901	2.5
239.09482	7.5
241.11249	2.0
243.09021	7.7
245.10590	3.1
249.08076	4.3
251.09550	13.4
255.09055	22.6
257.10605	5.9
257.19055	2.1
267.09085	28.0
269.10623	100.0
270.11108	1.9
273.10120	17.5
275.20148	10.5
278.10724	2.6
279.09274	1.7
285.10117	45.9
287.11673	52.2
290.10623	2.6
292.12253	12.7
303.11166	3.6
308.11691	5.0
310.13153	3.2
331.15768	7.2
335.25525	1.5
349.16904	25.9
349.23715	4.0
367.17960	94.7
368.18201	3.1
372.18604	3.0
385.18945	18.8
390.19583	17.8
462.29224	1.6
463.23697	4.4
463.30017	1.6
561.30957	10.3
577.30511	1.6
641.44434	1.9
659.38092	37.3
660.38721	2.5
662.92896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05516	6.7
56.96302	2.6
56.96571	42.0
57.03437	2.8
59.50651	1.1
60.51471	1.0
61.02905	1.9
67.05506	12.5
69.07071	7.2
71.04969	1.8
71.60645	1.7
71.95248	2.4
72.96037	1.3
75.77927	1.2
77.27505	1.2
79.05499	8.9
79.39989	1.6
81.03404	2.1
81.07063	15.4
83.04974	3.1
84.96023	1.6
85.02910	2.7
91.05484	9.5
93.07059	10.0
95.04976	3.1
95.08607	8.1
97.02869	2.8
97.06526	4.0
97.10178	1.7
99.08128	1.2
105.07049	9.2
107.04958	3.8
107.08614	7.5
109.06526	3.2
109.10147	3.7
117.07009	2.8
119.08582	5.1
121.10137	5.2
123.01183	1.6
123.08055	2.5
125.09660	2.1
126.53839	1.3
127.03987	1.4
131.08585	4.3
133.10117	4.2
135.08052	2.0
135.11673	1.7
145.10141	2.4
146.99652	4.6
147.11681	2.8
149.09624	2.0
155.03781	1.9
159.11664	3.0
161.13293	1.2
163.11195	2.4
169.01807	2.4
171.03290	4.6
173.04794	2.1
173.13297	1.6
183.03383	1.8
183.11600	1.5
185.04898	5.0
187.02724	2.0
187.06563	1.3
189.04402	5.9
193.03815	1.4
197.04916	1.9
199.06432	6.1
201.04420	1.8
203.05934	9.6
205.07428	2.6
211.06313	3.1
213.06041	2.0
213.07961	16.2
217.07426	12.7
221.08513	2.1
225.08051	6.9
227.06024	1.6
227.09514	3.3
229.07399	3.2
231.06949	1.6
231.09030	26.4
236.09546	2.3
237.07901	2.5
239.09482	7.5
241.11249	2.0
243.09021	7.7
245.10590	3.1
249.08076	4.3
251.09550	13.4
255.09055	22.6
257.10605	5.9
257.19055	2.1
267.09085	28.0
269.10623	100.0
270.11108	1.9
273.10120	17.5
275.20148	10.5
278.10724	2.6
279.09274	1.7
285.10117	45.9
287.11673	52.2
290.10623	2.6
292.12253	12.7
303.11166	3.6
308.11691	5.0
310.13153	3.2
331.15768	7.2
335.25525	1.5
349.16904	25.9
349.23715	4.0
367.17960	94.7
368.18201	3.1
372.18604	3.0
385.18945	18.8
390.19583	17.8
462.29224	1.6
463.23697	4.4
463.30017	1.6
561.30957	10.3
577.30511	1.6
641.44434	1.9
659.38092	37.3
660.38721	2.5
662.92896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.3
55.01877	5.6
55.05297	1.0
55.05511	11.5
57.03185	1.6
57.03439	20.4
57.07065	1.4
59.05006	1.1
61.02924	85.0
65.03925	1.1
67.05502	38.9
69.03427	35.8
69.07068	10.5
71.01346	3.9
71.04985	7.6
73.02910	24.3
75.04469	1.5
79.05493	26.4
81.03417	21.5
81.07053	42.7
83.01291	1.1
83.04974	4.5
83.08600	4.5
85.02902	100.0
85.06525	1.6
87.04455	2.9
91.03952	58.2
91.05478	18.4
93.07035	26.0
94.76560	0.9
95.04958	6.1
95.08602	29.5
97.02887	70.1
97.06521	3.1
97.10151	2.4
99.04456	10.6
101.02375	6.6
103.03921	7.3
105.07024	15.0
107.04918	3.0
107.08596	17.0
109.02866	12.7
109.05849	1.2
109.06538	3.6
109.10146	14.5
111.04448	2.6
111.08089	1.7
115.03934	6.1
115.30566	0.9
117.05521	2.1
117.07024	6.8
119.08575	14.1
121.06520	1.4
121.10144	14.5
123.04404	1.0
123.08032	2.2
123.11701	5.7
125.09647	1.2
127.03916	34.3
129.05472	4.3
129.06987	2.1
131.08554	8.7
133.10144	9.6
135.08075	1.0
135.11690	10.8
137.13225	1.8
139.03900	1.1
143.08513	1.8
145.04955	25.2
145.10118	8.2
147.06535	1.2
147.07903	1.4
147.11691	7.6
149.09593	3.0
149.13203	5.0
155.07085	1.1
157.10101	1.6
159.06561	2.6
159.11713	7.0
161.13252	6.8
163.06003	7.8
163.11142	1.2
163.14795	3.3
169.10080	1.3
171.11748	2.6
173.13268	7.5
175.14844	3.3
177.12834	1.2
177.16327	1.2
179.14236	1.3
183.06532	6.6
183.11630	1.1
185.13264	2.2
187.11073	1.0
187.14792	4.0
189.12785	1.1
189.16429	1.0
193.15771	1.0
195.11687	1.0
197.13313	1.3
199.11102	1.1
199.14832	1.7
201.07608	5.1
201.16289	1.8
219.08617	1.2
235.16832	1.2
243.21190	4.6
257.19025	1.2
259.20575	3.2
261.22119	14.9
271.20627	1.2
273.22214	1.1
275.20065	7.1
293.20969	1.3
297.09525	1.1
303.23157	1.9
315.23117	1.8
317.24557	1.8
327.23206	2.0
335.25793	58.8
341.24561	1.4
345.24329	1.4
349.23682	1.7
351.22919	1.6
363.25180	3.2
369.24307	2.8
377.26450	1.3
387.25540	1.4
443.28009	2.4
461.29230	2.0
479.30045	5.4
497.31149	1.3
503.93869	1.1
659.35834	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76816	1.4
52.13805	1.3
52.98982	1.6
53.03941	4.7
55.01869	4.8
55.05511	12.6
57.03439	18.2
57.07078	8.0
57.91674	1.2
58.06599	2.7
61.02928	52.9
65.03954	2.6
65.61279	1.3
67.05180	2.8
67.05510	35.9
69.03078	2.2
69.03429	25.9
69.07059	9.5
70.06590	16.4
71.01364	2.4
71.05001	3.8
71.06895	2.7
71.08626	4.0
71.12117	3.1
71.12455	3.2
73.02922	22.4
79.05497	26.5
81.03418	19.8
81.07057	34.9
83.04979	5.9
83.08620	6.6
85.02909	62.0
87.04462	2.7
88.07639	18.5
89.07975	2.8
91.03408	2.8
91.03958	39.2
91.05482	18.5
93.07043	27.2
95.04977	10.3
95.08033	0.9
95.08609	29.5
97.02290	2.9
97.02895	51.0
97.06531	3.8
97.10185	1.9
99.04459	9.9
99.08095	1.6
101.02379	5.1
102.09186	13.0
103.03937	7.4
105.07032	12.3
107.04987	2.7
107.08595	16.5
109.02879	10.6
109.06536	2.2
109.10155	14.2
111.04481	3.0
111.08089	3.1
115.03931	3.3
117.05517	2.0
117.07037	6.2
119.08574	11.7
121.06550	1.6
121.10153	16.2
123.08099	2.6
123.11722	5.6
125.09620	2.4
127.03929	19.0
129.05481	5.3
129.07030	1.8
131.08542	8.7
133.06473	1.6
133.10143	9.3
135.11690	9.3
137.13292	1.9
143.08592	2.2
145.04958	13.5
145.10159	7.4
147.11719	4.9
149.02354	30.0
149.03516	2.8
149.09645	3.2
149.13300	5.9
150.02655	9.1
151.11206	1.7
157.10146	2.3
159.06586	3.5
159.07957	1.4
159.11699	8.3
161.13257	5.2
163.05995	3.6
163.11180	2.9
163.14839	4.1
171.11693	2.9
173.13275	4.3
175.14830	2.0
177.12962	1.5
183.06557	8.0
187.14920	2.4
193.04980	32.5
194.05307	12.1
201.07608	5.3
201.16460	1.7
223.13266	3.5
237.07603	8.3
238.08037	4.5
243.21147	3.7
245.36942	1.4
256.26340	26.9
257.26666	22.5
257.29022	2.1
259.20630	2.7
261.22180	12.6
275.20099	7.8
293.21274	3.2
298.04239	2.0
335.25812	51.4
341.06619	5.1
342.06702	7.4
349.23834	3.4
359.07565	2.6
360.07846	2.9
363.25476	2.8
363.58762	1.5
369.24176	2.2
385.09210	8.4
386.09647	8.7
429.11716	11.4
430.12085	16.5
461.28934	4.6
479.30130	3.2
497.30823	1.7
659.36176	100.0
660.35846	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	659.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01876	5.2
55.05507	7.7
57.03436	2.4
58.55960	1.0
62.29575	1.1
67.05504	17.3
68.05833	2.2
69.03448	2.5
69.07061	6.4
75.08156	1.1
79.05490	13.0
81.03422	1.5
81.07054	16.1
82.07368	2.7
83.05004	2.3
83.08624	3.8
85.06522	1.8
91.05473	11.7
92.05801	1.3
93.07043	11.1
94.07432	1.7
95.04976	5.1
95.08595	7.7
96.08924	1.4
97.06539	5.2
97.10184	3.0
98.10459	1.5
98.21497	3.2
105.07026	9.5
106.07378	2.4
107.04958	4.2
107.08588	5.4
108.08927	1.7
109.06535	3.9
109.10167	4.4
111.08039	1.4
113.06045	1.5
117.07014	4.6
119.08584	6.5
120.08879	1.3
121.06532	1.3
121.10182	3.9
122.10497	1.4
123.08084	1.3
123.11755	1.2
125.09682	1.6
131.08571	4.5
132.08940	1.3
133.06509	1.7
133.10153	4.8
134.10493	1.4
135.08073	2.7
135.11702	3.0
137.09621	1.4
143.08562	1.9
143.77654	1.2
145.10127	2.9
146.10400	1.8
147.08150	1.3
147.11700	3.5
149.09599	1.9
149.13255	1.3
157.10115	1.6
159.11681	2.1
161.13396	1.7
163.11139	1.6
165.09119	1.3
169.10202	1.8
175.11205	1.8
189.11263	1.4
273.18607	2.6
274.18887	1.4
275.20178	8.1
276.20569	4.2
291.19452	8.8
292.19904	8.6
293.20462	1.1
336.75522	1.3
349.23767	3.4
350.24161	2.6
365.23853	1.4
366.23499	1.9
371.86859	1.3
400.15469	1.7
415.32773	1.2
425.16336	1.5
427.13797	3.2
428.14807	1.6
441.11243	1.8
441.16211	1.6
442.16367	1.3
452.15051	1.4
453.15182	1.4
455.12732	5.4
457.18610	5.0
467.17221	3.6
469.14771	8.9
483.16803	3.1
484.17383	3.7
485.18234	2.6
487.15799	1.2
495.16394	3.8
497.14001	5.2
498.15054	1.5
501.14761	1.2
511.15503	1.8
512.16193	4.9
513.17218	3.7
525.16235	2.4
543.18134	1.4
557.20306	1.6
571.21899	11.7
581.20416	2.1
599.21118	17.1
600.22351	2.4
602.19232	1.4
603.24170	1.9
617.20935	1.9
623.42188	1.5
627.21033	1.5
630.20776	1.5
631.23792	7.4
640.43030	4.4
641.22052	1.7
641.43384	4.3
658.44135	3.5
659.23218	100.0
660.23242	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	659.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26057	0.1
53.03941	0.1
55.01868	0.1
55.05489	0.3
56.96539	0.1
57.03420	0.1
67.01859	0.5
67.05502	0.6
68.99786	0.4
69.03417	0.3
69.07053	0.3
71.04978	0.2
71.60743	0.1
73.24899	0.1
79.05492	0.4
81.03412	0.5
81.07047	0.9
83.04973	0.2
83.08603	0.2
85.02877	0.2
85.06512	0.1
89.03925	0.2
91.05483	0.7
93.07044	0.4
95.04973	0.2
95.08605	0.5
95.74947	0.1
97.02877	0.2
97.06519	0.1
97.10176	0.1
99.04460	0.1
103.05447	0.1
105.07027	0.6
107.04943	0.2
107.08580	0.2
109.02865	0.4
109.06516	0.2
109.10150	0.2
111.04475	0.1
117.03376	0.2
117.07054	0.1
119.08558	0.3
121.06502	0.1
121.10143	0.4
123.04436	0.2
123.11678	0.2
127.03908	0.4
129.01845	0.2
131.08542	0.1
133.06540	0.1
133.10112	0.2
135.04407	1.6
135.11726	0.1
137.02316	0.5
143.05647	0.5
145.02858	0.2
145.10101	0.2
147.04417	0.2
147.08089	0.1
147.11678	0.9
149.09598	0.1
151.03929	0.2
153.01833	4.1
157.10194	0.1
161.02322	0.7
165.12700	0.6
167.06970	0.1
171.02896	1.2
175.03961	0.2
175.07622	0.1
175.11197	0.1
177.05539	0.4
179.03365	0.3
183.13872	0.2
193.12274	0.2
193.96292	0.1
201.05544	0.1
203.03377	0.1
207.06525	0.2
213.05499	0.2
219.06537	0.2
225.10269	0.1
227.50972	0.1
229.14365	0.3
231.06432	0.1
241.04916	0.8
245.04424	0.2
259.06055	0.1
263.05594	0.1
269.04330	0.3
270.04974	0.1
287.05490	100.0
288.05804	0.7
317.40353	0.1
329.06625	0.1
337.16159	0.1
355.17368	0.2
385.10406	0.1
449.10876	0.1
599.24847	0.2
609.23615	0.1
627.24701	0.2
641.25403	0.2
659.24994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01858	0.3
55.05495	0.3
57.03432	0.3
57.34930	0.1
58.92999	0.1
67.01858	0.4
67.05508	1.3
68.99810	0.5
69.03425	0.6
69.07063	0.7
69.57080	0.1
69.96579	0.1
71.04996	0.3
71.61044	0.1
79.05491	1.0
81.03432	0.9
81.07065	2.4
83.04974	0.3
83.08606	0.2
85.02898	0.6
91.05474	1.6
93.07054	0.8
93.49001	0.1
95.04957	0.6
95.08595	0.8
97.02894	0.4
97.06520	0.3
99.04451	0.3
99.08083	0.2
105.07024	1.7
107.04952	0.3
107.08596	0.7
109.02879	0.8
109.06498	0.5
109.10136	0.4
111.08051	0.2
117.03334	0.3
119.04932	0.2
119.08587	1.3
121.06505	0.3
121.10146	0.9
121.64516	0.2
123.04433	0.3
123.08081	0.2
123.11692	0.9
127.03909	1.2
129.01840	0.3
129.07030	0.4
131.04849	0.1
131.08597	0.4
133.10117	0.5
135.04404	1.2
135.08096	0.1
135.11732	0.2
137.02361	0.7
137.05978	0.3
143.05650	1.4
145.02821	0.6
145.10129	0.3
147.04372	0.4
147.11688	3.3
149.05978	0.1
149.09613	0.2
149.13248	0.2
153.00577	0.2
153.01830	4.0
157.10136	0.8
159.07971	0.2
159.11671	0.2
161.02333	0.7
161.09636	0.2
162.14990	0.2
163.03915	0.2
165.09128	0.3
165.12750	1.6
167.07060	0.4
171.02898	1.7
173.09781	0.1
175.11208	0.8
177.05481	1.4
179.03398	0.3
193.12202	0.4
207.06604	0.4
211.13208	0.2
213.05539	0.2
217.05025	0.2
219.06546	0.3
229.14357	9.8
241.04942	0.5
241.09679	0.2
263.05457	0.2
267.15671	0.2
269.04437	0.2
271.05988	0.2
281.09277	0.2
287.05493	100.0
288.05807	1.2
309.54492	0.1
329.06531	0.4
355.17743	0.8
373.13708	0.3
449.11029	0.2
464.17780	0.2
493.95660	0.1
659.22803	0.3
659.32257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	2.3
53.03942	2.1
55.01872	2.7
55.05513	10.2
57.03440	1.4
65.03603	1.0
65.03940	16.1
67.01880	0.5
67.05505	34.9
68.99775	1.9
69.03429	20.0
69.47359	1.4
69.47785	2.7
70.06591	1.1
71.01348	2.0
81.03418	1.4
83.04982	73.5
84.05348	0.5
85.02906	18.3
87.00827	1.9
87.04443	1.2
91.05473	1.6
93.03403	23.4
95.01350	0.5
95.04970	40.3
96.02282	0.4
97.02905	2.9
99.00816	18.1
99.01462	1.0
101.02379	1.2
101.06041	2.4
105.04519	0.7
107.04953	1.1
109.02907	1.3
111.04442	95.6
113.02361	1.1
115.03935	2.0
117.01880	2.9
119.04925	2.5
121.02869	9.8
123.04489	0.9
127.03864	0.9
129.05479	42.8
135.04434	0.9
139.03900	40.2
143.05643	3.7
145.02881	0.6
147.04414	8.9
147.06458	2.3
149.05937	0.6
157.04962	36.5
163.03882	1.3
175.03795	0.6
175.06030	11.0
177.05528	1.1
181.05032	0.5
189.05267	0.6
195.33096	0.5
207.06517	0.9
209.04428	4.4
212.08315	1.5
213.08957	0.7
219.08083	0.5
227.05508	10.1
237.09132	1.1
245.06587	2.5
255.05022	2.0
265.08514	1.0
273.06046	28.6
291.07095	3.2
311.08981	1.1
321.09726	2.2
357.26520	0.5
369.12497	0.5
383.09604	1.0
401.10709	7.9
411.09122	0.7
419.11890	1.6
419.95642	0.4
429.10303	12.2
442.00287	0.6
447.11346	100.0
448.11612	1.6
467.13486	1.4
574.65271	0.5
576.91541	0.6
659.22540	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55130	0.8
53.00297	2.3
53.03936	4.5
55.01859	3.2
55.05511	9.0
55.60588	0.8
56.15102	0.8
57.03429	1.6
65.03937	15.1
67.05501	37.5
67.68269	0.8
68.99770	3.6
69.03426	22.4
69.54156	2.6
69.54571	4.4
69.59530	0.9
70.06579	3.1
71.01351	1.4
73.02919	1.1
77.03922	1.0
81.03412	3.3
83.04974	78.1
84.08135	1.0
85.02900	19.6
86.09693	1.0
87.00816	2.8
87.04475	1.1
87.06680	1.3
91.05474	2.2
93.03400	23.7
95.04960	61.3
97.02885	4.8
99.00807	21.3
99.04470	1.0
101.02362	2.9
101.05989	3.2
105.07010	1.0
107.04943	3.0
109.02858	3.1
111.04433	100.0
115.03853	1.4
116.98656	0.8
117.01830	3.6
119.04958	4.3
121.02855	9.6
123.04417	2.6
127.03886	3.5
129.05467	39.8
135.04332	1.5
137.05997	2.0
139.03891	39.9
143.05630	59.0
147.04401	8.9
147.06529	3.9
151.03867	1.2
157.04953	38.9
161.05920	0.8
163.03902	2.4
165.05492	1.0
175.03870	1.6
175.04561	1.0
175.06006	9.7
177.03932	0.8
177.05447	2.9
181.04898	0.9
207.06500	1.6
209.04474	4.8
212.08334	2.7
213.08920	1.0
226.21442	0.8
227.05530	8.8
237.09090	1.2
245.06482	2.8
249.09921	1.4
255.04939	2.5
265.08350	1.2
273.06027	26.6
291.07120	1.5
293.08109	1.0
383.09534	1.5
401.10794	9.3
419.11658	1.4
429.10275	16.0
447.11307	96.5
535.15118	2.1
641.18970	2.6
659.21362	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	659.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	1.2
53.03943	2.8
55.01874	2.9
55.05506	8.4
57.03423	1.4
57.52426	0.6
65.03609	0.9
65.03939	15.8
67.05502	34.0
68.99785	3.5
69.03429	25.0
70.06580	2.5
71.01342	2.3
72.08131	0.8
73.02906	0.5
79.05468	0.8
81.03410	1.9
83.04979	66.2
85.02907	18.0
86.09680	0.8
87.00813	2.4
87.04470	1.2
91.05470	1.6
93.03403	22.8
95.04966	52.4
97.02885	3.7
99.00811	20.5
101.02386	2.0
101.06016	2.3
105.04541	1.5
107.04942	1.3
111.04437	100.0
112.04749	0.6
113.02387	0.9
115.03931	2.3
117.01828	4.3
119.04934	2.5
121.02860	11.2
123.04478	0.6
127.03868	1.4
127.25099	0.6
129.05475	38.3
131.04900	1.1
135.04417	1.2
137.02438	0.7
137.06013	0.8
139.03896	40.7
141.06583	0.5
143.05647	8.2
147.04417	5.6
147.06506	4.3
157.04959	41.6
163.03922	2.0
175.03964	1.6
175.06021	9.1
177.05467	1.1
180.60179	0.6
188.03004	0.5
205.04869	0.6
207.06583	1.5
209.04367	3.0
212.08264	3.6
227.05513	7.6
237.09113	2.1
245.06664	2.0
255.04965	2.8
265.08743	1.3
273.06042	24.9
291.07166	2.5
293.08121	0.7
303.44403	0.6
319.08197	0.6
321.09744	1.7
362.26740	0.6
383.09802	1.7
401.10803	9.3
419.12054	1.1
429.10294	17.9
442.41208	0.6
447.11334	80.2
448.12088	0.9
467.13348	2.2
594.98706	0.8
659.22040	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	658.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
54.71641	0.4
55.01866	0.9
55.05507	2.8
57.03424	1.3
57.07076	7.1
58.06602	1.8
61.02920	1.7
62.40055	0.5
65.03941	1.1
67.05507	4.5
68.05035	0.6
69.03426	1.4
69.07081	3.0
70.06593	19.2
70.07401	0.6
71.04993	0.5
71.08635	2.2
72.08115	0.6
73.02925	0.6
79.05504	3.9
80.05862	0.6
81.03417	1.5
81.07064	5.6
81.92384	0.4
82.07403	0.5
82.34935	0.4
83.04984	0.7
83.08624	1.0
84.08180	0.6
85.02908	2.2
85.10199	1.2
88.07633	21.4
91.03963	0.4
91.05489	2.5
93.07034	3.1
94.07382	0.5
95.04980	1.2
95.08609	3.0
97.02889	1.7
97.06562	0.9
97.10163	1.1
97.72736	0.4
102.09177	17.4
105.03402	0.6
105.07011	2.6
106.07352	0.7
107.04978	0.9
107.08615	2.1
109.06548	1.1
109.10171	1.6
111.08092	0.5
117.07023	1.6
119.08586	1.9
120.08964	0.8
121.06490	0.5
121.10151	1.1
123.08092	0.7
123.81971	0.4
127.03915	0.8
129.07008	0.6
131.08601	1.8
131.48363	0.5
132.09035	0.4
132.10208	0.4
133.10164	1.5
135.11751	1.1
139.03949	0.7
141.83478	0.4
143.08537	0.7
145.04950	0.6
145.10112	1.0
147.04419	0.7
147.11697	0.8
149.02344	39.6
149.09694	1.0
157.10144	0.8
161.09656	0.5
161.13150	0.6
163.11221	0.6
169.10133	0.5
171.11714	0.6
175.03964	1.1
177.05519	1.4
187.73695	0.4
193.04964	49.8
194.05295	0.5
200.26633	0.5
212.23840	0.9
219.06601	1.8
225.05493	0.8
227.12808	0.5
237.07582	11.1
255.19708	0.5
256.26355	50.6
257.26837	0.8
269.04486	1.6
273.18512	0.8
274.18936	0.6
275.20090	1.7
276.20511	1.1
291.19528	2.3
292.19769	1.8
297.03949	2.5
300.28986	1.2
313.07126	2.6
335.25735	0.9
341.06583	11.6
350.24088	0.6
359.07611	6.8
385.09183	18.2
403.10266	0.6
429.11835	28.6
572.35211	0.5
640.34393	0.8
640.43317	1.2
658.35840	100.0
659.36475	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	657.436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09781	1.6
53.03940	5.8
54.50423	1.9
55.01870	18.4
55.05512	36.9
57.03439	13.8
57.07061	3.4
65.03928	6.9
65.65456	1.7
67.05506	79.6
69.03427	8.7
69.07069	44.4
71.04977	6.9
79.05494	72.4
81.03429	12.2
81.07058	100.0
83.04989	15.4
83.08621	23.1
85.02908	3.5
85.06551	8.7
91.05480	78.8
93.07046	64.4
95.01324	2.5
95.04970	29.8
95.08608	44.0
97.02879	2.2
97.06534	23.8
97.10167	15.9
98.20787	4.5
99.08069	3.0
103.05467	2.0
105.04507	2.6
105.07029	69.3
107.04941	21.5
107.08590	45.9
109.06517	22.4
109.10161	28.6
111.04444	4.4
111.08070	7.9
113.05993	6.3
115.05447	3.6
117.07021	26.5
119.04939	3.7
119.08584	50.7
121.06519	12.6
121.10133	21.9
123.08105	9.7
123.11677	6.4
125.05975	1.8
125.09617	14.7
128.06221	6.1
129.06999	15.6
130.07759	2.3
131.08582	36.0
132.08922	1.8
133.06468	6.7
133.10132	37.3
135.08047	18.3
135.11673	13.3
137.09616	7.2
139.07541	2.9
141.06955	5.7
142.07782	2.5
143.08556	19.0
145.06519	5.2
145.10115	32.9
147.08078	8.6
147.11682	16.4
149.09612	16.5
149.13231	8.3
151.11172	10.6
153.12683	2.1
155.08542	7.7
157.10130	13.6
159.08066	4.4
159.11690	19.3
161.09650	11.5
161.13280	5.6
163.11215	10.1
165.09056	3.1
165.12717	2.3
167.08533	2.8
167.90468	1.9
169.10115	8.4
169.12308	2.5
171.10313	2.3
171.11571	9.4
173.09604	4.6
173.13287	10.2
175.11186	8.0
175.14825	2.7
177.12746	6.4
179.14331	3.4
181.10071	3.4
183.11720	6.0
185.13213	6.9
187.11128	3.5
187.14716	3.2
189.11121	5.2
189.12683	3.7
193.10092	2.1
193.12212	2.5
195.11678	4.4
195.13742	2.6
197.13292	3.5
199.14827	3.5
201.12778	3.4
201.16418	3.0
203.14345	2.6
205.12361	2.7
209.13432	2.2
211.14891	3.0
217.15942	2.9
219.17349	2.0
223.13220	10.6
227.12712	7.8
227.17870	3.3
229.19356	3.9
233.15395	2.5
237.16508	2.9
239.17918	4.9
245.19058	5.7
247.20508	2.9
249.14906	3.2
253.14362	10.3
255.17569	2.6
257.18991	8.1
269.17499	2.7
273.18512	32.1
275.20081	59.9
291.19559	85.3
292.19708	2.2
293.21060	7.7
297.41159	1.7
309.20590	3.6
313.21683	2.4
347.22095	8.9
349.23761	34.8
365.23273	20.1
408.80881	1.9
461.29044	3.3
527.33643	2.3
541.35004	3.8
547.37476	2.4
559.36401	10.9
587.68585	2.0
621.41193	4.5
639.42542	40.8
657.21698	2.5
657.43628	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	657.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01871	25.5
55.05508	50.9
57.03434	9.3
57.07066	2.2
59.04983	1.7
65.03932	4.7
66.28138	1.3
67.05503	72.3
67.20630	1.5
69.03420	9.5
69.07067	41.7
69.61906	2.9
69.62298	10.6
71.04427	1.9
71.05013	8.1
71.38547	1.3
79.05492	68.1
81.03425	9.2
81.07055	61.8
83.04984	10.2
83.08611	18.4
85.02867	1.5
85.06561	2.5
91.05479	56.2
93.07040	53.4
93.07626	3.0
95.01317	2.1
95.04434	2.4
95.04971	24.1
95.08607	30.7
97.02921	7.9
97.03454	1.2
97.06532	26.9
97.10155	25.8
98.21478	3.0
103.05459	2.3
105.07027	51.3
107.04953	28.6
107.08590	49.6
109.06523	12.9
109.10151	21.6
111.08090	6.6
113.06031	1.8
115.05440	3.3
117.07007	23.4
119.04949	3.2
119.08575	42.4
121.06509	8.4
121.10132	17.5
123.08059	10.6
123.11666	6.3
123.12482	1.5
125.09646	20.8
128.06226	4.1
129.06992	12.0
130.07738	2.0
131.08562	27.5
133.06546	6.8
133.10129	26.6
134.07199	1.9
135.08051	14.5
135.11697	9.5
137.09645	5.7
137.81870	1.5
141.07014	2.7
142.07738	2.6
143.08513	8.5
145.06432	2.5
145.10120	21.1
145.65186	1.3
147.08017	7.7
147.11684	18.0
147.47186	1.6
149.09608	23.6
149.13232	3.4
150.23973	1.3
151.11174	3.2
153.09126	2.7
153.12471	1.4
155.08554	3.1
157.10100	8.8
159.08076	1.6
159.11717	15.7
161.09599	4.3
161.13237	7.7
162.10321	2.1
163.11180	11.9
165.09105	3.6
169.10109	5.5
171.10286	3.2
171.11684	7.4
173.09650	3.8
173.11801	2.6
173.13251	6.6
175.11159	4.7
177.12766	4.8
179.10585	2.0
179.14322	2.7
181.10133	2.0
181.12221	1.8
183.11697	4.2
185.13252	3.5
187.11169	3.2
187.13194	1.9
187.14743	3.5
189.11214	13.3
193.12299	2.9
195.11742	1.6
197.13300	3.8
199.11067	1.5
199.14813	1.8
205.12283	3.4
207.11746	1.9
213.12697	1.8
217.15919	2.2
219.17404	2.3
223.13225	14.0
223.95461	1.6
227.12761	25.9
227.17868	1.8
229.19383	2.3
231.17549	2.0
233.15256	2.0
237.16302	1.6
239.17960	4.3
245.19025	1.9
247.20546	2.7
249.14891	5.7
255.17407	2.9
257.19009	13.3
263.20001	2.3
273.18466	22.4
275.20038	67.5
291.19547	100.0
293.21094	4.8
331.22430	3.5
347.22079	4.9
349.23737	34.5
365.23187	28.5
461.28955	2.8
527.33356	2.1
535.32690	2.1
541.35309	2.8
543.36597	4.1
559.36011	1.9
621.41284	4.0
639.42548	63.1
657.20984	3.6
657.43756	17.6
658.22809	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01872	22.8
55.05260	4.0
55.05512	55.1
57.03437	13.7
57.07082	2.5
64.73370	2.0
65.03932	5.8
67.05505	100.0
67.05869	4.7
69.03423	13.7
69.07067	51.7
69.88322	12.1
71.04438	2.8
71.04999	7.2
73.44272	1.9
74.41138	2.2
74.94130	2.1
79.05490	85.3
79.47057	2.3
81.03426	13.5
81.06580	4.2
81.07058	86.7
82.41688	2.2
83.04976	16.1
83.08615	24.4
85.02901	4.4
85.06544	5.3
91.05478	71.8
93.07043	66.7
95.04971	36.7
95.08607	48.4
96.41570	2.1
97.02884	8.7
97.06519	24.3
97.10170	19.5
99.08103	3.0
105.07030	69.8
107.04285	2.9
107.04964	32.7
107.08590	57.2
109.06527	23.4
109.10155	27.1
111.04472	4.9
111.08065	7.0
112.67342	2.0
113.06007	7.8
115.05421	3.7
117.07016	31.3
119.04935	2.4
119.08586	48.4
119.09444	3.1
121.06521	14.2
121.10143	25.1
121.27872	1.8
123.04386	2.8
123.08079	14.1
123.11706	6.0
124.96911	2.4
125.09626	21.1
128.06166	5.3
129.07005	18.5
130.07826	4.5
131.08556	33.8
133.06476	10.5
133.10123	30.1
135.08076	17.6
135.11682	17.1
137.09621	6.7
139.07469	2.8
141.06998	6.9
142.07764	5.3
143.08585	15.8
145.06494	8.6
145.10123	30.2
147.08063	12.6
147.11678	19.4
149.09634	21.1
149.13237	6.9
149.17358	2.4
151.11159	3.9
153.09145	2.3
155.08531	12.5
157.10135	9.8
159.08046	6.3
159.11694	21.9
161.09608	10.1
161.13266	7.3
163.11159	13.4
165.09152	4.8
165.12808	3.8
167.08534	4.0
169.10065	10.7
171.11671	9.9
173.09666	3.7
173.13281	8.8
175.11163	6.5
175.14809	4.4
177.12737	6.2
179.08470	2.8
179.14258	3.5
181.10178	3.7
183.11647	7.9
185.13269	7.1
187.11214	4.3
187.14880	4.2
189.11275	12.3
195.11667	5.1
197.13235	6.2
199.14836	3.2
205.12122	2.3
209.13240	3.1
211.14874	2.8
217.15808	3.4
219.13788	2.7
223.11411	3.2
223.13155	11.8
227.12767	18.3
229.19458	3.2
239.17990	5.1
241.14252	2.7
247.20598	4.3
249.14856	2.6
255.17540	3.6
257.18979	9.6
262.72388	2.4
273.18533	33.1
275.20087	62.2
279.15854	5.4
289.18146	2.5
291.19534	94.7
292.19919	2.7
293.21136	4.1
331.22629	3.1
333.24265	2.5
347.22260	6.1
349.23636	29.2
365.23233	27.2
381.22702	2.7
461.28970	3.5
506.93771	2.7
520.14905	2.2
541.34662	4.1
559.36444	4.7
583.39764	3.9
605.14166	2.5
609.27130	6.0
621.41010	6.0
623.42828	4.8
639.42499	63.3
657.43713	30.8
658.21472	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01871	8.2
55.05511	18.2
57.03438	22.8
57.07059	2.2
59.05004	1.1
60.55710	1.1
61.02928	85.3
62.94051	1.2
65.03934	2.3
67.05506	40.6
69.03429	39.4
69.07067	14.0
71.01344	6.0
71.04997	11.0
73.02917	32.8
75.04473	2.6
79.05495	41.1
79.05964	2.0
81.03415	30.9
81.06585	2.3
81.07056	40.0
83.01339	2.5
83.04983	9.7
83.08611	8.4
85.02907	100.0
85.06536	2.8
87.04467	5.3
91.03957	55.6
91.04540	2.9
91.05479	49.9
93.07045	47.9
93.07642	2.3
95.04962	13.0
95.08607	24.4
97.02894	77.9
97.06523	4.8
97.10161	5.5
98.20789	2.5
99.04462	12.5
99.08096	2.4
101.02388	10.5
103.03951	9.5
103.05457	2.6
105.04525	1.9
105.06326	2.1
105.07030	40.4
107.04935	6.3
107.08593	25.2
109.02876	12.1
109.06515	6.0
109.10146	12.1
111.04429	5.4
111.08099	2.7
115.03925	5.8
115.05457	3.6
116.06252	1.2
117.05538	1.4
117.07020	19.3
119.08589	33.1
120.08896	1.3
121.06500	4.4
121.10146	21.5
122.76554	1.1
123.04417	1.4
123.08051	3.5
123.11719	3.0
125.09647	3.9
127.03917	28.0
128.06226	3.6
129.05478	5.1
129.07007	13.6
130.07764	1.3
131.04893	1.4
131.08574	24.0
133.06485	3.7
133.10133	26.1
135.04390	1.1
135.08054	3.2
135.11693	14.3
137.05949	2.1
137.09613	2.6
139.07539	2.5
141.07007	4.4
142.07753	3.6
143.08554	14.2
144.09346	1.5
145.04955	19.6
145.06473	3.2
145.10121	24.2
147.08040	4.5
147.11693	23.2
149.05995	1.3
149.09602	4.3
149.13261	10.2
151.07545	1.6
151.11142	1.8
153.09122	2.0
154.07773	1.6
155.08548	6.4
157.06569	1.5
157.10135	11.6
159.06645	1.9
159.08037	3.0
159.11687	21.4
161.09650	5.0
161.13269	9.5
161.80992	1.1
163.06013	4.0
163.11180	4.8
163.14841	3.4
165.09114	2.4
167.08536	2.4
169.10127	6.6
171.06616	1.4
171.08054	2.9
171.11696	12.2
173.09615	4.1
173.13255	11.1
175.11133	3.2
175.14845	4.4
177.12772	2.6
179.08585	3.0
181.10129	3.7
181.12321	1.1
183.06499	3.0
183.07988	2.0
183.11697	8.2
185.09622	3.8
185.13272	11.0
187.11259	2.6
187.14844	4.1
189.09126	1.5
189.11154	1.5
189.12766	2.9
191.10751	1.5
191.14429	1.2
193.12303	2.4
195.11707	3.6
197.09665	1.8
197.13310	5.5
199.11189	2.4
199.14842	4.6
201.07443	1.5
201.12714	2.9
201.16350	1.5
203.14212	1.4
207.06531	1.8
207.11765	1.9
209.13356	2.6
211.11195	2.4
211.14873	2.8
213.12776	2.7
213.16405	2.1
215.14288	2.2
221.13246	1.6
221.89699	1.3
225.12691	2.5
231.17534	1.8
231.21194	2.3
239.14346	2.3
241.19576	9.5
257.18875	3.7
259.20596	22.2
267.15958	4.8
271.20676	5.0
273.21960	1.9
275.20084	3.8
277.21625	4.0
283.20566	3.0
285.16913	2.0
287.19977	1.6
291.19885	1.3
295.20566	1.6
299.20084	3.0
301.21518	8.2
307.20728	1.6
313.21576	4.4
315.23044	3.9
319.22797	1.2
321.22189	1.3
325.21631	4.0
331.22565	1.9
333.24246	36.2
337.21472	2.0
339.23215	5.6
343.22745	3.3
345.24234	1.8
349.21420	3.4
351.25363	2.4
355.22888	1.5
357.24121	1.7
361.23874	2.5
363.25388	2.0
367.22586	9.1
375.25220	6.6
385.23752	5.7
387.25125	2.9
399.25186	2.0
403.24615	4.2
405.26236	1.5
417.26373	4.8
429.26312	2.8
431.27866	1.7
441.26364	14.7
442.26770	3.5
459.27396	15.3
460.27667	3.1
477.28519	16.6
495.29498	12.2
537.30402	1.4
553.23517	1.2
585.30487	1.6
596.29291	1.3
603.31561	3.1
621.33154	1.7
625.13434	1.4
639.33936	3.6
657.34686	8.0
657.44324	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	1.1
57.70001	1.1
61.01675	1.1
69.07048	1.4
70.02951	1.1
70.85543	1.9
70.85882	2.5
71.36835	1.1
80.44621	1.2
89.53300	1.3
98.20860	1.5
102.14191	1.2
129.12907	1.5
158.17154	1.3
182.67140	1.4
217.09550	1.5
223.12210	1.8
230.20233	1.4
246.50798	1.2
247.12256	2.2
249.13910	1.9
259.12115	1.4
261.13928	1.6
289.16721	1.4
338.16663	1.7
340.18024	2.1
353.18625	1.5
363.16360	2.1
364.17841	2.7
365.18192	1.4
366.19415	2.9
377.17740	2.6
378.18918	1.7
379.19110	4.3
380.20465	1.8
385.17987	1.4
389.17953	1.5
391.19031	5.6
392.20346	2.2
393.20911	1.8
394.18372	3.6
395.18362	2.4
405.20978	2.9
407.18155	3.7
407.22873	2.5
408.19403	6.0
409.19955	5.3
417.16876	2.2
419.18506	3.5
421.19769	7.4
421.25043	2.0
422.20743	5.6
423.16873	1.5
423.21866	18.5
424.22366	2.1
431.18637	1.7
433.19830	1.6
434.21259	2.2
435.22284	8.3
436.22528	4.0
437.23114	5.7
438.23346	1.3
439.21936	1.3
446.21075	2.5
449.23151	4.7
451.21295	5.7
453.22586	1.9
454.19901	6.1
456.98764	1.3
461.24078	6.3
462.21274	2.0
463.20926	4.3
464.21829	2.2
465.22580	4.1
466.23315	2.5
467.24799	2.6
468.24957	2.3
477.23438	5.9
478.24030	3.6
479.25183	6.8
480.22540	1.7
481.22397	5.0
491.20868	2.0
493.21494	7.0
494.26111	5.8
495.23444	12.5
496.24506	5.1
507.23999	2.4
508.24869	12.0
509.25800	12.3
510.26459	12.1
511.27292	14.7
516.24243	1.8
519.23743	2.3
521.25562	7.1
522.26044	4.7
523.23206	6.4
525.28729	2.8
526.28540	1.8
537.24902	21.5
538.25818	11.4
539.25586	1.4
549.25024	2.1
551.22693	1.6
553.28497	13.0
554.26019	2.2
555.25610	2.6
565.24280	3.9
566.24652	2.8
570.28564	6.0
581.19214	2.3
581.27637	27.9
582.25073	2.0
583.25476	8.1
595.28699	1.6
596.26990	2.1
597.27094	58.8
598.27716	10.7
613.30182	83.4
614.30310	2.9
625.26538	100.0
626.26727	3.8
657.29224	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55732	1.8
71.60540	2.4
139.58987	1.9
146.09654	1.9
174.09261	2.2
193.03043	2.4
261.13928	2.8
263.82651	2.0
318.15894	2.6
352.17700	2.6
364.17709	2.2
365.18011	3.1
366.18839	2.3
379.19366	6.6
391.19193	6.3
392.20139	3.0
393.16614	3.7
394.17700	2.5
403.19312	2.6
405.21182	4.5
407.18320	3.5
407.22873	3.5
408.19351	3.5
409.20248	8.7
421.19928	6.8
422.20917	7.1
423.21893	25.9
424.22534	2.0
434.20700	2.1
435.21841	8.5
436.22922	4.0
437.23740	4.5
446.21225	3.9
447.21667	2.6
449.23328	6.2
450.20996	1.9
451.21185	7.3
454.20123	5.9
456.22723	2.4
461.23373	8.6
463.21265	3.9
464.22137	2.4
465.22906	6.8
467.24609	4.7
468.25067	2.8
470.59607	2.2
477.22775	6.8
478.23605	2.8
479.24747	10.1
481.22296	5.3
491.20401	3.7
493.22446	7.4
494.26230	7.3
495.23587	17.6
496.24750	8.1
507.23618	2.6
508.24701	21.7
509.25998	15.0
510.26563	14.7
511.27606	15.0
521.25232	6.7
522.26086	3.5
523.23358	7.7
525.28424	2.9
537.25079	23.1
538.25781	12.9
539.26422	2.5
549.23834	2.9
551.23029	2.2
553.28394	12.2
565.24146	5.7
566.25336	3.2
570.28137	5.5
581.27588	27.0
583.25574	5.7
597.27161	59.3
598.27521	12.2
607.25714	3.7
613.30225	74.7
625.26642	100.0
657.28931	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	657.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.05499	0.7
57.03436	1.4
61.02893	1.0
64.64830	0.3
65.03922	0.7
67.05471	1.3
69.03428	6.1
69.07034	1.0
70.27476	0.7
70.27871	0.7
71.04987	0.7
72.42147	0.3
73.02893	1.1
79.05498	1.8
81.03405	3.0
81.07066	1.9
83.04959	0.7
85.02905	8.2
85.06503	0.5
86.09676	0.5
87.04449	1.0
89.03856	0.5
91.03934	0.4
91.05477	3.5
92.05761	0.3
93.03422	0.4
93.07049	1.7
95.04936	1.6
95.08574	1.4
95.71756	0.3
97.02886	4.2
97.06483	0.3
99.04415	1.0
101.02361	0.4
102.04702	0.3
103.05460	2.4
105.07018	2.3
106.04185	0.3
106.06549	1.5
107.04934	1.2
107.08566	1.4
109.02889	1.8
109.06494	0.4
109.10135	0.8
111.04388	0.4
115.05427	0.6
117.07007	0.6
118.04141	1.0
119.04939	2.7
119.08545	1.0
121.02831	0.3
121.06477	1.1
121.10114	0.9
123.04378	0.9
123.11701	0.5
125.09592	0.7
127.03918	2.7
130.04076	0.5
131.04936	3.5
131.08524	1.0
132.05666	1.5
133.02856	0.8
133.06470	1.3
133.10089	0.8
134.05984	0.8
135.04398	1.1
135.08017	0.6
135.11658	0.3
137.02345	0.4
137.05972	1.8
137.09584	0.4
140.04659	1.1
143.05641	4.0
144.05826	0.3
145.02824	1.2
145.04947	0.8
145.06483	0.8
145.10086	0.7
146.03586	1.3
147.04414	3.0
147.11690	0.6
148.05159	0.7
149.06000	1.5
149.09647	0.4
151.03891	0.7
151.07462	0.6
153.01817	4.1
153.05518	0.7
153.09052	0.4
154.06259	0.8
156.50536	0.4
159.04396	0.5
160.05232	0.7
161.05992	2.3
162.03119	0.5
163.03868	1.1
163.07460	0.3
165.05457	0.7
165.06862	0.3
165.09039	0.4
166.06223	0.5
167.07036	4.6
170.25818	0.3
171.02870	0.6
171.11737	0.4
173.05965	0.4
175.03912	3.6
175.07494	0.5
176.04692	1.4
177.04077	0.4
177.05472	3.7
178.06285	2.2
179.03397	0.3
179.07050	0.7
181.04967	0.4
181.08591	0.7
181.10086	0.4
182.09329	1.1
189.05434	0.4
189.09135	0.4
191.07014	3.7
192.07832	1.5
195.02815	0.3
203.03368	2.8
207.06525	6.3
209.08052	0.8
210.08884	1.7
213.05350	0.3
214.10876	0.5
215.15576	0.4
217.04933	0.4
219.13873	0.5
221.11522	0.4
223.53812	0.3
226.12361	0.5
229.04941	3.3
229.14253	0.3
232.90633	0.3
241.04884	0.8
242.05730	5.0
243.14923	4.2
249.07535	0.7
253.04962	1.3
255.06491	0.5
257.04440	39.5
258.05188	9.0
259.15533	0.3
269.04456	1.4
270.05215	1.0
271.06012	1.9
271.14404	5.6
279.11130	0.4
283.06116	0.5
285.03931	4.7
286.04712	18.1
287.05496	15.0
288.05750	0.4
289.07022	0.5
297.03998	4.0
299.05463	1.2
300.06305	1.1
301.07141	0.8
311.05444	1.9
313.07001	0.7
323.05515	0.6
327.04871	2.5
341.06534	2.6
401.06567	0.4
403.25412	0.3
416.08878	0.4
421.09183	0.6
444.08401	0.5
445.09232	0.6
447.07071	0.8
459.27002	0.6
462.09521	0.8
465.12070	2.3
477.11774	11.3
477.28076	0.6
495.12866	100.0
496.13388	1.8
537.14520	0.5
613.31854	0.8
656.39154	0.5
657.31195	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45726	0.2
53.03919	0.9
55.05477	0.9
57.03439	1.0
59.04979	0.2
59.84742	0.3
61.02927	1.4
65.03931	0.4
67.05466	1.0
68.99794	0.3
69.03429	5.4
69.07073	0.4
69.45411	2.0
71.01316	0.4
71.04967	0.6
73.02908	1.4
79.05076	0.2
79.05486	1.5
81.03413	2.6
81.07055	1.6
83.04954	0.4
84.08125	0.2
85.02901	8.4
85.06496	0.4
86.09732	0.3
86.71321	0.2
87.04420	0.8
89.03897	0.4
91.03939	0.3
91.04978	0.3
91.05482	3.6
93.03358	0.2
93.07059	1.1
95.04436	0.2
95.04962	1.4
95.08569	0.8
97.02899	4.0
97.06496	0.3
97.10164	0.3
99.04446	1.0
101.02362	0.5
103.03898	0.2
103.05467	2.0
104.06223	0.4
105.03381	0.2
105.07033	1.5
106.04138	0.4
106.06537	1.0
107.04971	1.1
107.08533	0.8
109.02876	1.6
109.06487	0.5
109.10111	0.7
111.04417	0.3
111.08035	0.2
115.05392	0.5
117.03328	0.5
117.06983	0.7
118.04181	1.1
119.04939	3.0
119.08551	0.7
120.08072	0.3
121.02827	0.6
121.06506	1.4
121.10128	0.6
123.04391	1.0
123.11690	0.3
125.02243	0.3
125.05952	0.3
125.09625	0.4
127.03893	2.3
127.07510	0.2
129.05463	0.2
129.07008	0.3
130.04106	0.7
131.04935	3.6
131.08498	0.6
132.05721	1.9
133.02798	0.6
133.06462	0.7
133.10095	0.7
134.06009	0.5
135.04381	0.8
135.08051	0.3
135.11646	0.3
137.02278	0.3
137.05954	1.3
137.09576	0.4
138.09132	0.3
140.04686	1.2
140.05577	0.3
141.07011	0.2
143.05684	2.1
145.02792	0.7
145.04932	0.9
145.06467	1.1
145.10127	0.5
146.03627	1.6
147.04388	2.5
147.08084	0.3
147.11688	0.3
148.05139	0.8
149.05988	1.1
149.09550	0.4
149.13354	0.2
151.03893	0.5
151.07481	0.5
153.00714	0.3
153.01831	4.6
153.05396	0.8
153.09114	0.3
154.06247	0.6
155.06995	0.6
159.04408	0.5
159.11679	0.4
160.05247	1.2
161.02293	0.3
161.05963	1.9
161.09570	0.4
162.03084	0.7
163.03922	1.4
163.07550	0.4
163.11145	0.2
164.04659	0.3
165.05533	0.5
165.09105	0.4
166.06224	0.5
167.07033	4.8
168.07845	0.3
170.03519	0.2
171.02887	0.4
173.05983	0.7
175.03912	3.3
175.07477	0.3
176.04749	1.1
177.05467	3.6
178.06265	2.4
179.07019	0.4
180.07805	0.4
181.04979	0.5
181.08571	0.4
182.09363	0.6
183.02855	0.2
185.05905	0.3
189.05351	0.5
191.07022	3.1
192.07793	1.6
193.08646	0.6
195.02841	0.4
198.12711	0.5
201.05411	0.3
203.03400	2.9
207.06528	6.0
208.07068	0.4
209.08044	0.9
210.08842	1.5
211.07516	0.3
213.05507	0.3
214.11101	0.3
215.15375	0.3
217.04974	0.7
219.06503	0.3
221.07948	0.2
226.12364	0.5
229.04967	3.4
241.04916	0.5
242.05713	5.4
242.08060	0.2
243.14934	3.4
249.07550	1.1
253.04936	1.5
255.06467	0.3
257.04440	43.0
258.05246	9.1
269.04404	1.1
270.05188	1.1
271.06024	2.0
271.14374	5.3
272.06430	0.5
283.05951	0.5
285.03928	5.6
286.04712	20.5
287.05490	16.9
288.05841	0.5
289.06970	0.3
297.03888	3.7
299.05484	1.2
300.06244	1.4
301.07104	1.1
311.05591	1.8
313.07071	0.7
323.05484	0.7
327.05020	2.6
329.06723	0.3
341.06467	2.1
343.09793	0.3
351.10510	0.3
373.07028	0.2
381.13312	0.2
416.09000	0.4
419.07782	0.6
433.09164	0.5
444.08118	0.3
445.09018	0.5
447.07129	0.9
449.09433	0.4
459.27551	0.4
461.08994	0.6
462.09317	1.2
465.11942	3.0
477.11801	10.6
477.28171	0.5
495.12854	100.0
496.13156	0.9
537.13910	0.4
657.30908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01478	0.7
55.01868	3.1
55.02107	0.8
55.05264	1.3
55.05513	19.1
55.31657	0.7
57.03429	2.2
61.02909	2.1
63.36686	0.7
64.97987	0.7
65.03949	1.3
67.05504	19.3
69.03425	3.7
69.07066	7.8
69.44361	7.0
71.05000	1.4
73.02923	1.1
79.05062	1.5
79.05493	19.8
81.03417	3.8
81.07057	16.2
82.07376	0.9
83.04970	3.1
83.08614	13.0
85.02902	3.3
85.06558	1.7
91.05481	16.4
92.07954	0.7
93.07040	10.6
95.04970	5.0
95.08606	6.1
96.08963	1.0
97.02890	2.4
97.06527	1.8
97.10174	22.8
99.08111	0.9
103.05477	8.2
105.07025	15.0
107.04942	2.2
107.08583	11.3
109.02850	0.7
109.06503	1.4
109.10144	4.4
111.08060	1.2
115.05458	3.6
117.07018	26.9
117.07854	1.5
119.04958	1.0
119.08593	8.1
121.06443	1.8
121.10144	2.5
123.08096	1.8
125.09625	17.7
128.06227	2.9
129.05507	1.0
129.07007	12.1
131.04976	1.5
131.08566	16.0
133.06480	5.0
133.10114	4.3
135.08064	3.7
135.11674	1.5
141.06999	5.7
143.08546	6.4
143.10646	1.0
145.06468	5.5
145.10097	7.3
147.08038	2.8
147.11667	1.6
149.09622	3.6
153.07016	1.4
153.09145	2.2
153.12915	0.6
154.07784	0.9
155.08537	7.5
157.06491	2.0
157.10162	3.3
159.08052	2.8
159.11688	2.2
161.09566	1.3
165.06918	1.2
167.08591	2.7
168.09523	0.7
169.10095	5.6
171.08058	2.8
171.10329	1.2
171.11638	3.8
171.56604	0.7
173.09636	1.3
173.13287	1.4
179.08530	1.0
181.10083	2.4
183.11630	0.9
185.09708	1.3
185.13281	2.3
187.11282	1.4
187.14751	5.1
189.11235	10.8
189.12762	1.0
193.12306	0.8
195.08026	0.7
195.11801	1.9
197.09660	1.0
197.13258	8.5
207.11749	1.2
209.13226	2.1
211.11130	0.9
213.12762	2.7
215.14310	32.0
227.12741	15.2
231.13902	0.8
233.15457	1.4
237.12642	0.9
245.13896	1.4
253.15648	0.8
257.15317	1.2
259.13333	1.0
267.15903	1.3
269.15268	0.8
271.17001	2.7
275.16266	0.8
339.23218	1.7
349.21561	5.1
367.22629	9.6
370.24634	1.0
385.23746	8.9
403.24878	2.8
423.25278	1.0
441.26379	48.4
442.26797	1.2
459.27423	100.0
460.27902	1.5
477.28406	10.1
567.29572	0.9
657.34412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90432	1.8
53.03937	4.1
55.01879	2.2
55.05473	1.9
57.03429	4.0
61.02919	2.1
67.05497	2.8
67.49679	1.6
69.03416	12.1
69.86068	12.3
70.06570	3.6
71.04993	17.9
72.08119	2.1
73.02914	3.2
79.05473	3.5
81.03416	9.2
81.07040	5.0
83.04979	4.6
84.04511	2.6
85.02899	21.2
87.04449	1.8
89.06025	79.8
91.05466	13.3
93.07016	3.9
95.04948	3.1
97.02885	30.9
97.06533	2.0
99.04431	6.4
103.05423	2.7
103.93506	1.9
105.07014	5.2
107.04932	5.0
107.08593	4.9
109.02888	9.0
109.06532	2.1
111.04434	8.2
115.03944	2.1
115.05437	2.6
117.05457	2.0
117.06987	2.1
117.89373	1.8
119.04945	14.1
119.08523	2.8
121.02875	2.2
121.06535	2.2
122.03626	6.6
123.04420	3.1
123.08037	3.7
127.03914	13.6
129.06978	6.3
131.04897	5.7
131.08597	2.3
133.10196	2.0
135.04408	3.6
135.06494	6.1
135.08029	3.1
135.11739	1.9
136.05128	2.6
137.05969	61.8
138.05455	3.0
139.40150	1.7
143.05695	13.8
145.02847	4.1
145.04968	10.9
147.04427	10.4
147.08025	2.3
149.05956	8.1
151.03896	7.2
151.07533	50.9
156.06406	2.2
157.06497	7.7
159.06691	2.2
160.07176	2.5
161.05952	15.3
163.03934	2.8
163.07524	23.3
164.07010	1.7
165.07001	2.3
165.09090	2.9
167.07022	9.5
167.08354	4.5
171.06728	2.4
174.06763	4.1
175.03906	14.0
175.07538	12.0
177.05467	10.8
177.09065	16.9
179.07030	2.0
181.04974	2.4
181.06494	2.3
187.07567	3.5
189.09068	21.6
193.08461	2.5
193.10083	3.1
195.08038	12.5
195.10054	3.4
197.08047	2.5
201.08983	3.4
203.07051	2.3
207.06458	21.4
207.08098	2.0
207.09996	3.1
209.08034	5.0
212.08261	2.1
219.10135	9.9
221.06067	3.6
221.09763	3.5
221.11659	3.3
223.07425	2.7
225.09059	4.3
227.10687	18.0
233.09520	2.6
237.08946	2.3
240.00391	2.2
240.07770	2.2
249.09315	6.3
253.08566	7.2
253.12276	7.8
255.10158	16.8
261.09488	3.7
265.08682	2.5
267.10217	5.1
269.07968	3.5
271.06039	7.0
279.08682	2.9
281.11703	4.5
285.11234	14.0
287.05478	8.0
287.12720	27.5
288.05930	2.9
293.11624	4.0
297.11118	6.2
299.12793	6.7
309.11136	2.3
311.12753	7.6
313.14319	22.8
315.12497	2.1
325.14297	2.5
331.15399	100.0
335.12805	3.8
341.13763	5.2
343.15384	34.5
353.13721	3.2
355.15427	7.1
367.15323	5.7
369.11893	3.1
379.15387	3.9
379.89154	2.0
391.65015	2.4
397.16492	5.6
400.70187	2.2
403.15494	5.5
421.16510	18.9
436.45627	1.8
439.17456	6.8
457.18567	5.3
555.22522	2.1
573.22980	2.3
591.24335	5.3
625.39948	1.7
656.22571	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	656.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95150	0.3
53.03926	0.4
55.01855	0.8
55.05504	0.7
57.03428	1.2
61.02921	0.3
65.03917	0.5
67.05512	1.2
69.03424	1.2
71.04965	0.3
71.61050	0.3
72.99469	0.2
79.05117	0.3
79.05499	3.4
81.03419	1.6
81.07072	1.3
83.04945	0.4
83.08584	0.4
84.04472	0.3
85.02889	0.8
86.09714	0.3
90.04675	0.6
91.05475	4.9
93.07047	0.8
95.04948	1.4
95.08604	1.0
97.02873	0.5
97.06500	0.4
97.10168	0.4
103.05467	3.8
104.06275	0.4
105.07034	10.5
107.04932	1.1
107.08564	1.0
108.05746	0.5
109.02896	1.4
109.06498	1.2
109.10144	0.7
109.62164	0.3
112.17584	0.2
115.05439	1.0
117.07005	0.5
118.04160	10.4
119.04946	4.0
119.08555	0.6
120.05707	0.9
121.06519	1.9
121.10134	0.5
122.03651	0.3
122.07274	0.9
123.08053	0.7
124.05221	4.4
125.09666	0.3
127.03918	0.7
131.04926	1.2
131.08623	0.3
132.05687	0.4
133.02820	0.6
133.06493	16.3
133.10094	0.6
134.07307	1.2
135.04402	0.9
135.08057	2.9
137.05978	4.5
137.09578	0.3
143.05695	0.4
145.06473	0.3
145.10104	0.5
147.04417	5.3
147.08054	0.4
147.11746	0.3
149.05998	0.7
149.09576	0.4
150.06776	5.9
151.03853	0.3
151.07547	3.2
158.55936	0.2
160.05276	0.3
161.05989	4.2
162.06699	0.5
163.07547	0.8
165.09111	11.0
167.07036	1.0
173.31383	0.2
175.03925	0.9
175.07535	0.6
177.05470	1.1
177.09039	0.4
178.06149	0.7
178.09865	0.3
178.49135	0.3
179.07030	4.6
191.10667	0.4
191.24989	0.3
193.08607	100.0
194.08899	0.6
195.10155	0.6
207.06549	1.8
208.06841	0.5
211.13225	0.4
217.14311	0.3
249.11279	0.4
251.16519	0.3
267.15964	0.3
271.06155	0.3
287.05374	1.2
288.05859	0.7
288.12750	0.3
323.12762	2.8
355.15430	1.7
366.60953	0.3
656.39423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
55.01881	11.7
55.05268	3.0
55.05513	38.6
57.03432	5.6
57.07071	14.8
64.98518	1.9
65.03928	5.2
67.05508	59.2
69.03426	12.0
69.06728	2.5
69.07072	32.3
71.04981	6.0
71.60540	2.0
73.88078	1.7
77.03939	2.7
78.23318	1.6
79.05493	47.1
81.03415	13.6
81.07058	61.1
83.04984	50.5
83.08614	11.3
85.06544	3.3
91.05482	52.7
93.07043	48.2
95.04974	19.2
95.08608	34.3
97.02878	11.1
97.06544	9.7
97.10151	12.9
98.98483	2.2
99.04502	2.4
103.05453	3.6
105.07029	38.8
107.04954	15.6
107.08591	27.7
107.18813	1.6
108.65067	1.4
109.02900	3.1
109.06525	9.8
109.10155	16.6
111.04480	2.6
111.08088	5.9
115.05468	4.4
116.06210	1.6
117.07025	14.9
119.04962	2.7
119.08583	25.0
121.06512	14.7
121.10174	11.8
123.04424	3.7
123.08060	7.5
123.11738	3.8
125.09631	6.9
128.06226	6.5
129.07008	16.5
131.08551	18.6
133.06497	7.1
133.10127	25.2
135.08072	6.6
135.11684	7.3
137.09607	3.8
139.07542	2.2
141.06923	4.0
142.07761	2.8
143.08569	11.4
145.06494	2.5
145.10107	15.9
147.08052	16.0
147.11688	15.1
149.09645	10.7
149.13345	3.7
151.07489	3.0
151.11208	8.2
155.08554	4.4
157.10133	6.0
159.08115	4.5
159.11716	7.4
161.09628	10.6
161.13242	3.4
163.11223	4.5
165.09222	2.2
165.12772	1.9
169.10155	5.1
171.08076	1.6
171.10347	2.0
171.11726	7.5
173.09639	1.9
173.11751	2.1
173.13248	3.2
174.74411	1.7
175.01566	17.4
175.11209	9.8
177.09142	4.3
177.12804	2.3
179.10695	2.9
181.02605	35.1
181.10141	3.8
181.12163	2.9
183.11758	3.2
185.09679	2.1
185.13232	3.5
187.11180	1.9
188.98958	1.5
189.08995	1.6
189.11215	3.6
189.12827	2.0
195.11761	2.6
195.13820	2.3
199.11217	2.2
207.13808	1.8
221.10643	2.1
223.13223	12.8
227.04663	8.6
227.12740	3.9
227.17993	4.6
231.17496	2.2
232.09967	5.6
233.15536	2.6
245.19006	6.8
247.12274	6.2
249.14882	3.6
251.12785	2.5
253.14214	3.6
255.17424	2.4
257.05688	3.6
263.20132	4.2
269.17389	1.9
273.18515	50.3
273.90164	1.9
274.18585	2.1
275.20114	2.6
283.11163	3.1
289.17944	2.6
291.19543	100.0
293.12823	18.8
309.20609	5.4
311.13809	9.4
313.08682	3.1
313.11954	19.1
347.22202	12.4
365.23294	12.9
369.18301	8.4
449.78360	1.6
529.38556	2.8
543.18921	18.3
544.19794	2.3
599.25330	35.4
600.25439	3.2
613.26709	2.5
637.41071	19.1
655.31067	26.4
655.41815	72.2
656.31873	3.7
656.42194	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	655.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.0
55.01873	7.5
55.05511	23.5
57.03434	3.0
57.07040	2.2
59.04961	0.7
65.03908	1.6
67.05505	30.2
69.03428	9.1
69.07068	29.6
69.26604	2.7
69.27038	3.3
71.05000	2.6
77.03902	0.7
79.05492	26.8
81.03422	5.5
81.07056	23.4
82.07357	0.5
83.04980	10.5
83.08614	7.1
84.69201	0.5
85.02865	0.6
85.06517	1.4
91.05479	21.3
93.07047	17.6
94.04123	0.9
95.01313	0.9
95.04969	10.3
95.08611	11.7
97.02888	8.7
97.06519	4.8
97.10164	11.3
103.05450	0.6
105.07028	17.1
107.04956	12.8
107.08596	12.6
109.06515	3.8
109.10160	8.2
111.04415	1.1
111.08057	2.5
115.05428	1.2
116.06187	0.8
117.07019	9.5
119.04900	1.6
119.07818	1.0
119.08580	14.5
120.05675	0.6
121.06488	4.3
121.10139	6.4
123.04431	1.3
123.08060	4.0
123.11678	1.8
125.09630	9.1
127.11095	0.6
128.06154	2.2
129.07007	5.4
130.07794	0.8
131.08563	9.5
133.06485	5.8
133.10144	6.5
134.07280	0.5
135.04382	0.6
135.07266	0.5
135.08070	5.5
135.10600	0.5
135.11641	2.5
137.09596	2.2
141.06941	1.4
142.07756	1.1
143.08553	5.6
145.06476	2.6
145.10138	6.4
147.06979	0.6
147.08047	8.9
147.11679	4.7
149.09584	3.6
149.13228	2.9
149.75055	0.6
151.07568	0.7
151.11200	0.8
153.09091	1.6
154.07704	0.6
155.08528	1.0
157.06477	0.6
157.10149	4.4
159.08020	2.3
159.11690	3.8
161.09637	3.8
161.13255	1.0
162.10425	2.5
163.11128	2.1
165.09059	1.6
169.10094	1.5
171.10205	1.0
171.11647	1.5
173.09659	1.4
173.11761	0.8
173.13266	0.8
175.01559	2.8
175.11185	9.5
175.14735	0.9
177.12741	2.4
181.02591	4.4
181.09959	1.1
183.11671	1.0
185.09595	0.8
185.13232	1.5
187.11217	1.2
188.12027	0.6
189.11186	3.9
189.12746	1.6
193.12183	0.9
195.11868	1.2
195.13795	2.8
198.76015	0.7
199.11169	0.9
199.14810	0.6
203.14296	1.0
205.12209	1.3
213.12831	0.6
213.14771	0.8
215.14470	1.2
223.13292	13.5
225.11128	0.8
227.04681	2.1
227.12860	3.3
245.18954	1.9
249.14821	3.5
255.17430	2.7
257.05725	0.7
273.18488	23.2
275.20065	1.3
276.13663	0.7
289.17987	1.1
291.19534	94.0
292.19891	2.1
309.20547	1.2
313.12009	3.6
320.16064	1.0
329.21085	0.7
347.22202	5.0
363.21564	0.9
365.23221	5.4
369.18063	1.0
393.28055	1.0
419.24228	0.8
447.27927	0.7
489.32083	1.0
543.19031	2.2
543.33295	0.9
557.34570	2.0
599.25482	5.2
627.42542	1.1
637.41241	4.9
655.31769	6.1
655.41980	100.0
656.31824	1.3
656.42023	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	655.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
53.75969	2.1
55.01873	8.6
55.05512	26.5
55.06584	1.8
55.42169	2.0
57.03441	11.6
57.07077	3.0
57.36197	2.0
59.05009	2.5
60.42150	1.9
61.02923	6.6
61.62713	2.0
65.03956	2.5
67.05508	78.8
69.03434	23.4
69.07074	12.8
69.80351	10.8
71.04998	46.2
73.02909	5.0
79.05495	50.3
81.03421	100.0
81.07063	95.6
83.04978	23.4
83.08633	25.1
85.02903	23.0
85.06544	7.6
86.06078	2.1
91.05483	64.7
91.06015	4.0
93.07050	39.6
95.04974	33.0
95.08612	26.9
97.02912	21.2
97.06533	12.5
97.10175	6.9
99.04464	9.0
99.08090	3.2
101.02380	2.3
103.05471	2.2
105.07031	45.6
107.04980	11.9
107.08604	27.1
109.02892	16.9
109.06525	11.9
109.10159	14.1
111.04442	10.9
111.08037	9.4
113.06068	4.0
115.05461	4.0
116.98667	2.4
117.07013	13.1
119.04924	2.5
119.08578	24.4
121.06531	7.1
121.10140	16.4
123.04450	5.7
123.08092	7.1
123.11706	14.5
125.06055	2.7
125.09623	4.5
127.03932	11.8
128.06264	2.2
129.05513	4.3
129.06999	18.5
131.04890	2.3
131.08571	30.1
133.06540	4.8
133.10132	35.5
134.42867	2.0
135.04465	4.1
135.08052	5.5
135.11703	9.3
137.05963	5.3
137.09680	2.3
139.11172	2.2
141.07060	2.2
142.07770	3.3
143.08554	11.9
145.06561	4.2
145.10126	10.2
147.04413	4.8
147.08076	6.8
147.11714	17.3
149.09636	8.9
149.13264	7.4
151.11215	10.5
153.06993	1.9
155.08621	5.7
157.10124	16.2
159.08051	4.2
159.11702	11.9
161.05930	2.9
161.09663	3.0
161.13327	3.0
163.07578	2.2
163.11203	1.9
165.12773	4.3
167.07091	3.7
169.10106	3.6
171.11678	6.0
173.04468	13.0
173.13254	2.1
175.11237	13.7
177.05583	3.3
177.12793	8.9
179.14296	1.9
181.10136	4.3
183.11682	3.6
183.13869	3.8
187.13286	12.6
191.10544	3.0
193.10316	3.5
193.12256	32.5
195.11742	3.4
195.13863	4.6
197.13286	3.5
199.14862	2.6
201.12994	3.1
201.14886	5.6
207.06540	2.1
211.13284	46.7
211.15230	2.3
225.14740	2.3
227.12779	4.1
235.13211	2.7
242.54099	2.0
259.13452	2.5
267.15805	10.4
269.17499	5.8
274.29977	1.9
275.20001	4.0
277.14285	2.8
285.17056	8.8
287.05521	9.2
295.15628	2.3
299.18637	4.5
301.14139	3.1
312.06668	2.4
321.17175	3.7
329.22968	2.2
333.22162	3.9
339.18039	9.5
351.23343	9.8
369.24265	6.9
393.19153	2.5
395.20694	4.3
401.26889	5.5
435.27237	14.7
443.27832	7.2
451.30624	2.4
453.28262	13.5
461.28876	13.7
462.07074	2.6
467.30063	13.3
475.30536	8.3
479.30075	5.0
511.33020	9.7
579.31531	3.0
605.32996	4.8
623.11859	6.1
623.33960	14.1
637.35773	5.2
655.14410	2.8
655.37097	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01862	1.5
55.05505	6.4
57.03428	1.0
57.07084	2.3
61.34112	0.5
65.03931	0.6
67.05499	8.8
69.03438	1.0
69.07066	5.4
69.47618	3.9
71.05010	1.0
77.03984	0.5
79.05487	6.8
81.03413	1.9
81.07050	8.9
83.04980	13.2
83.08624	1.5
85.06548	0.6
87.98596	0.5
91.05472	8.5
93.07043	7.0
95.04961	3.6
95.08597	4.9
97.02896	1.2
97.06541	1.6
97.10172	1.8
98.20749	0.7
98.98492	0.7
103.05509	0.5
105.07031	7.4
107.04955	2.9
107.08587	5.2
109.06565	2.2
109.10158	2.9
111.08087	1.0
115.05457	1.0
117.06992	2.2
119.08578	5.1
121.06506	2.1
121.10169	1.9
123.08084	1.0
123.11708	0.5
125.09631	1.2
128.06230	1.3
129.07008	3.2
131.08528	3.8
131.57803	0.5
132.22592	0.5
133.06509	2.0
133.10130	4.2
135.08054	1.9
135.11687	0.9
137.09637	0.8
139.07549	0.5
141.06985	0.6
143.08571	1.9
145.06491	1.1
145.10110	3.4
147.08032	2.7
147.11731	2.7
149.09602	1.3
149.13295	0.6
151.01520	0.5
151.11217	1.4
157.10109	1.1
159.08076	1.1
159.11728	1.8
161.09631	1.4
161.13255	0.7
163.07605	0.5
163.11232	1.0
165.09087	0.7
167.08707	0.5
169.10164	0.8
171.11719	1.0
173.13278	1.0
175.01566	4.8
175.11249	1.4
177.09081	0.9
177.12816	0.7
181.02611	7.7
181.10037	0.5
183.11752	0.7
189.11217	0.6
199.11264	0.7
223.13274	1.5
227.04599	2.6
227.17981	0.6
245.19038	1.3
249.14975	0.6
251.12862	0.6
253.14374	0.9
255.17325	1.0
257.05731	0.8
263.37659	0.6
273.18478	6.6
275.20166	0.8
283.10892	0.9
289.18051	0.9
291.19516	11.7
309.20572	0.9
313.11951	4.7
332.67810	0.5
339.13336	0.5
347.22275	2.0
365.23331	2.4
369.18188	2.6
391.19153	1.2
392.19989	0.9
405.16574	1.0
405.21335	1.0
406.17313	0.6
406.21976	0.7
407.22498	4.0
419.18262	3.0
420.19574	1.0
432.19440	0.7
433.20544	4.3
434.21106	3.8
435.21869	6.5
436.22467	0.6
446.21182	0.6
447.17847	1.6
447.22552	1.3
449.19495	1.3
461.19205	1.0
462.20453	5.2
463.21069	4.0
475.21518	1.7
476.21991	1.1
477.22870	1.1
479.20483	1.0
487.13037	0.8
489.23184	1.4
493.22067	0.6
495.24100	1.0
499.76718	0.5
506.22778	0.5
507.20651	0.7
508.25052	1.7
509.25653	1.5
517.23151	0.6
521.25629	10.1
543.19025	3.5
543.33423	0.7
547.26801	0.6
549.24976	17.9
553.24689	0.8
563.26483	2.1
577.24426	0.7
581.27490	2.4
595.29095	9.7
596.28180	0.6
599.25293	8.1
609.27002	10.1
623.28595	1.0
637.40869	2.8
655.31189	100.0
655.41077	8.3
656.31445	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2763
Annotation	Karajinone A
Peak:m/z	Relative Intensity
53.03941	1.7
55.05507	7.2
57.07074	7.9
63.47760	1.2
67.05495	3.5
69.07051	1.9
70.20887	5.3
71.05008	2.7
74.60213	1.2
78.53188	1.2
79.05483	3.0
79.26079	1.3
81.07040	4.6
83.04988	29.3
83.08604	1.5
84.29647	1.2
85.29526	1.4
88.24255	1.3
90.42166	1.5
91.05470	4.4
92.07737	1.2
93.07050	4.2
93.09180	1.4
95.04956	3.8
95.08604	2.1
98.98473	1.3
105.07041	3.3
107.08615	1.7
109.10071	1.4
119.08562	2.2
124.96780	1.3
128.06239	3.3
129.06979	4.3
131.08557	1.4
137.96257	1.5
141.06989	2.2
145.10124	3.5
147.08060	3.0
147.11716	3.1
175.01549	11.2
181.02628	20.2
205.42198	1.6
223.12323	2.5
224.13104	1.7
227.04657	7.6
231.26057	1.7
236.12991	1.6
237.13910	4.4
238.14612	2.4
241.63702	1.4
249.13799	1.8
251.15436	4.6
253.17041	3.1
257.05829	3.7
261.13882	4.7
264.12292	1.4
313.12033	15.1
352.17520	2.2
353.17902	1.6
366.18912	1.8
367.19534	2.5
369.18143	7.3
377.17880	2.3
379.19321	3.2
379.61810	1.6
391.19260	2.9
395.18671	2.0
405.16876	3.4
407.18863	2.4
421.20596	1.9
422.20776	2.7
435.18243	2.1
437.19730	2.5
448.19257	1.7
449.19339	2.1
450.20648	2.3
453.22763	1.9
454.22977	1.7
465.19174	4.9
469.26147	2.2
476.18561	3.1
479.24744	2.1
480.21628	2.5
483.20718	1.8
493.22934	1.5
497.25308	5.0
507.23685	3.3
508.20908	2.8
509.21545	2.1
510.22275	2.7
514.25720	6.6
525.25000	7.3
529.27899	5.1
535.23120	4.1
542.25458	2.5
543.19006	16.8
552.23553	1.6
553.24426	4.2
557.27802	2.7
563.22668	2.6
567.25909	5.1
569.27020	1.6
581.23676	4.4
585.27063	18.5
595.25525	100.0
599.25409	28.0
613.26556	95.7
655.33173	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	655.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28259	0.3
53.03920	1.3
54.46198	0.4
55.01842	1.2
55.05487	1.3
57.01852	0.4
57.03434	1.8
60.05616	0.3
61.02925	1.6
65.03916	0.7
67.05502	3.9
69.03432	5.3
69.07029	1.1
70.74215	0.6
70.74563	0.6
71.04961	1.1
73.02888	1.3
79.05497	3.1
81.02984	0.4
81.03419	5.9
81.07063	3.7
83.04943	1.2
83.08591	1.2
85.02441	0.5
85.02904	7.2
85.06485	0.5
85.49663	0.3
87.04442	0.8
91.03925	0.7
91.05484	4.1
93.07047	3.5
95.01332	0.8
95.04955	2.3
95.08604	2.0
97.02900	3.5
97.06509	0.7
97.10147	0.6
99.04436	0.9
101.02333	0.5
102.04700	0.5
103.05454	2.6
104.62383	0.3
105.07032	6.3
105.29285	0.4
106.04167	0.6
107.04963	1.9
107.05523	0.3
107.08593	1.8
109.02866	2.8
109.06503	0.9
109.10159	1.8
109.36743	0.4
111.04431	0.6
111.08081	0.4
115.05411	1.1
117.03360	0.6
117.07023	0.5
118.04183	1.8
119.04955	1.7
119.08570	2.6
121.02811	0.4
121.06510	1.8
121.10117	1.8
123.00800	1.8
123.04398	0.9
123.07999	0.5
123.11692	0.9
123.61228	0.4
127.03919	2.2
128.06219	0.9
129.06972	1.1
130.04124	1.2
131.04929	2.9
131.08533	1.4
132.05701	1.1
133.06488	3.7
133.10112	1.3
135.04408	1.7
135.08020	0.6
135.11681	0.9
136.05200	0.4
137.02336	0.7
137.05968	1.2
137.09595	0.4
137.13211	0.4
143.05634	2.6
143.08543	0.8
145.02811	0.7
145.04933	0.5
145.06494	0.4
145.10100	1.0
147.04405	1.9
147.08002	0.7
147.11655	1.6
148.05148	0.8
149.05992	2.4
149.09593	0.9
151.07527	0.8
152.01010	1.2
153.01814	0.7
156.05656	0.5
157.10094	1.0
159.04327	0.5
159.08060	0.7
159.11678	0.5
160.05177	0.6
161.05986	5.0
161.09583	0.5
163.03867	0.5
163.07549	0.5
163.11162	1.1
165.05508	0.4
165.09132	0.4
165.12738	0.4
167.03407	0.8
167.07021	3.7
170.02104	1.5
171.02954	0.4
171.08041	7.1
173.11803	0.4
173.13202	0.4
175.03880	1.2
175.07588	0.6
176.04694	2.0
177.05504	3.2
179.07019	0.8
181.05009	0.4
181.06465	0.5
182.09390	1.8
183.08020	1.4
184.05176	1.3
191.07014	4.7
192.07773	0.8
193.08600	2.8
193.12282	1.2
196.05319	0.4
207.06540	2.4
209.05957	2.9
209.08066	1.2
210.08887	1.3
211.07593	0.9
211.13214	1.1
212.04626	0.5
215.10701	0.4
223.04106	0.4
225.11113	0.4
227.12718	1.3
229.08546	1.8
229.14334	0.8
240.04207	1.2
240.07808	2.0
241.04967	0.8
242.05640	0.7
252.04218	0.7
253.05019	0.7
255.06525	91.0
256.07129	1.0
267.06888	0.4
267.15891	1.8
268.07141	0.6
269.04504	0.6
269.08032	0.9
270.05234	0.5
271.06000	1.1
281.08032	0.8
283.06024	39.8
284.06805	10.5
284.10001	0.6
285.07574	19.7
287.05508	12.7
295.06046	0.6
339.08716	0.7
430.19006	0.5
439.26697	0.7
463.13852	3.7
464.58408	0.4
475.13910	20.9
493.14954	100.0
494.15613	0.7
628.81293	0.4
637.34393	0.4
650.99091	0.4
655.19110	0.6
655.34161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
54.97052	0.2
55.01863	0.4
55.05523	0.3
61.02951	0.2
63.49796	0.2
65.03947	0.9
69.03431	14.1
70.06573	0.2
70.90664	0.5
77.03925	0.5
79.05501	0.3
81.03411	0.5
81.07078	0.2
85.02920	0.4
89.03923	0.4
91.05480	16.5
95.04980	0.3
97.02880	1.4
99.04468	0.6
103.05479	0.5
105.03384	0.4
105.07030	0.4
109.02878	1.1
111.04465	0.5
117.03385	0.4
119.04944	27.6
121.02952	0.2
123.04475	0.3
127.03918	5.8
129.03358	0.4
131.04935	0.6
132.02069	0.7
133.02831	0.3
133.06506	0.3
135.04422	0.8
136.05257	0.2
143.05685	0.5
145.02856	0.6
146.03580	0.3
147.04410	25.2
148.04861	0.2
149.02365	0.8
151.64648	0.2
153.01854	0.9
157.03951	2.4
161.06049	0.4
162.03104	0.3
164.04672	0.7
167.07037	1.0
173.05957	0.3
175.03906	49.9
176.04362	0.6
177.05515	0.6
179.03416	0.3
179.07024	1.6
187.07550	0.3
189.05576	0.4
191.07048	0.2
192.04170	0.6
199.07613	0.2
203.07085	0.2
207.06528	100.0
208.06851	0.8
219.06490	1.0
221.08104	0.2
225.07579	0.8
231.06534	0.5
233.08139	0.2
235.06038	0.9
241.04691	0.2
261.07693	0.5
263.09052	0.5
277.06937	0.2
287.05505	20.0
291.08575	1.6
303.08560	0.2
313.01859	0.2
322.55853	0.2
333.09579	0.4
339.70282	0.2
351.10736	10.0
369.11813	10.5
475.30551	0.2
519.69177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
53.03932	0.1
54.03170	0.1
65.03944	0.3
67.01865	0.7
67.05498	0.1
68.99781	0.6
69.03416	0.4
70.93082	0.2
71.04962	0.2
77.51772	0.1
79.05483	0.2
81.03417	1.3
81.07052	0.1
85.02902	0.4
88.03797	0.1
89.03907	0.3
91.05483	4.1
93.07040	0.1
95.04967	0.2
99.04452	0.2
103.05471	0.1
105.03423	0.1
105.06995	0.1
107.04972	0.3
109.02879	0.5
109.06534	0.1
111.00773	0.2
111.04466	0.2
117.03381	0.2
119.04944	6.0
123.07944	0.1
125.84174	0.1
127.03907	0.3
129.01831	0.3
132.02048	0.2
133.02765	0.1
135.04424	1.6
137.00513	0.1
137.02348	1.0
137.05971	0.2
143.05678	0.5
145.02859	0.2
147.04414	5.4
149.02364	0.3
149.05951	0.1
153.01826	5.8
157.02827	0.1
157.03941	0.5
161.02318	1.1
163.03851	0.1
163.14760	0.1
164.04688	0.1
167.07080	0.2
171.02898	2.2
171.04219	0.1
175.03911	9.9
177.05507	0.2
179.03392	0.6
179.06999	0.4
181.04933	0.1
182.59160	0.1
185.06026	0.3
192.04118	0.2
201.05521	0.2
207.06528	24.7
208.06781	0.2
213.05429	0.1
219.06464	0.4
241.04950	1.1
245.04521	0.3
255.06256	0.1
259.06049	0.2
269.04425	0.4
286.04446	0.1
287.05496	100.0
288.05859	1.2
295.26941	0.1
301.86655	0.1
329.06464	0.1
351.10742	1.8
369.11731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
53.03932	0.1
54.03170	0.1
65.03944	0.3
67.01865	0.7
67.05498	0.1
68.99781	0.6
69.03416	0.4
70.93082	0.2
71.04962	0.2
77.51772	0.1
79.05483	0.2
81.03417	1.3
81.07052	0.1
85.02902	0.4
88.03797	0.1
89.03907	0.3
91.05483	4.1
93.07040	0.1
95.04967	0.2
99.04452	0.2
103.05471	0.1
105.03423	0.1
105.06995	0.1
107.04972	0.3
109.02879	0.5
109.06534	0.1
111.00773	0.2
111.04466	0.2
117.03381	0.2
119.04944	6.0
123.07944	0.1
125.84174	0.1
127.03907	0.3
129.01831	0.3
132.02048	0.2
133.02765	0.1
135.04424	1.6
137.00513	0.1
137.02348	1.0
137.05971	0.2
143.05678	0.5
145.02859	0.2
147.04414	5.4
149.02364	0.3
149.05951	0.1
153.01826	5.8
157.02827	0.1
157.03941	0.5
161.02318	1.1
163.03851	0.1
163.14760	0.1
164.04688	0.1
167.07080	0.2
171.02898	2.2
171.04219	0.1
175.03911	9.9
177.05507	0.2
179.03392	0.6
179.06999	0.4
181.04933	0.1
182.59160	0.1
185.06026	0.3
192.04118	0.2
201.05521	0.2
207.06528	24.7
208.06781	0.2
213.05429	0.1
219.06464	0.4
241.04950	1.1
245.04521	0.3
255.06256	0.1
259.06049	0.2
269.04425	0.4
286.04446	0.1
287.05496	100.0
288.05859	1.2
295.26941	0.1
301.86655	0.1
329.06464	0.1
351.10742	1.8
369.11731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15060	0.2
50.96479	0.2
53.03939	0.5
55.01863	0.4
55.05513	0.4
57.03418	0.4
60.05641	0.4
61.02928	0.4
65.03933	1.0
67.05507	1.8
68.99786	0.3
69.03429	12.0
69.07050	0.7
69.75505	1.1
69.75916	0.5
71.01351	0.3
73.02921	0.3
76.03125	0.2
77.03915	0.2
79.05487	0.6
81.03423	1.9
81.07059	1.5
82.07410	0.2
83.04961	0.5
83.08576	0.3
85.02905	1.0
89.03909	0.4
91.05479	16.3
93.07043	0.7
95.04969	0.9
95.08609	0.7
97.02894	1.7
97.06540	0.3
99.04424	0.7
103.05447	0.6
105.03415	0.6
105.07042	1.2
107.04942	0.5
107.08594	0.6
109.02859	1.3
109.10143	1.1
110.10399	0.2
111.04410	0.7
111.08068	0.5
117.03432	0.2
117.07027	0.5
119.04939	26.5
119.08550	0.7
121.02835	0.3
121.06493	0.4
121.10136	0.7
123.08095	0.2
127.03912	5.5
128.98640	0.2
129.03409	0.4
129.06947	0.3
131.04897	0.5
131.08524	0.4
132.02074	0.9
133.02789	0.4
133.06503	0.4
133.10133	0.7
135.04408	1.4
135.11684	0.6
137.02344	0.4
137.05974	0.6
143.05676	1.1
145.02853	0.8
145.06451	0.3
145.10089	0.5
147.04410	25.8
147.11676	0.4
149.02312	0.8
153.01784	1.7
157.03963	1.9
160.01521	0.2
161.05980	0.7
162.03166	0.3
163.03947	0.3
164.04680	0.7
165.12769	0.3
167.07091	1.6
171.02937	0.5
173.05963	0.3
175.03905	46.6
175.37419	0.2
176.04384	0.7
177.05389	1.0
179.03406	0.6
179.07045	1.9
185.05960	0.3
189.05513	0.5
192.04237	0.5
193.08618	0.3
193.12189	0.6
207.06523	100.0
208.06850	0.8
219.06522	1.2
221.08125	0.3
225.07518	1.2
229.14259	1.4
231.06412	0.3
235.06052	0.8
241.05017	0.3
245.08199	0.4
247.09531	0.3
261.07593	0.9
263.09158	0.9
267.15964	1.0
271.06070	0.5
287.05499	43.5
288.05887	0.5
291.08643	1.5
299.04712	0.3
303.08719	0.3
333.09686	0.3
351.10745	9.7
361.11514	0.7
369.11789	7.6
421.25616	0.6
422.26187	0.4
623.24713	1.1
631.42004	0.2
654.35846	0.3
655.27209	0.8
682.45612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.5
57.03441	6.1
59.04987	3.7
61.02916	3.6
65.90955	1.0
67.05503	85.3
69.03396	2.6
69.07063	5.3
69.90967	2.0
69.91383	4.1
71.04990	19.6
73.02909	2.4
79.05494	11.4
81.03394	2.5
81.07056	57.7
83.04954	3.0
83.08621	6.8
85.02892	4.4
85.06538	9.5
87.04475	1.5
91.03942	2.3
91.05479	17.2
93.07050	12.5
95.04937	1.8
95.08607	10.0
97.02904	2.3
97.06532	2.5
97.10133	2.4
99.04440	1.2
105.07031	7.8
107.04948	1.6
107.08601	8.2
107.65446	1.0
109.06522	1.8
109.10155	77.9
111.08067	3.3
117.07027	2.7
117.19889	1.1
119.08575	4.4
121.10136	2.7
123.11715	13.2
125.09605	1.7
129.06972	1.0
131.08534	2.2
133.10152	11.6
135.11699	2.4
137.09572	2.0
137.33087	1.2
139.86632	1.1
149.13268	2.7
151.11186	6.5
155.10689	3.1
159.11725	3.0
173.11725	16.7
177.12801	2.7
183.13815	2.4
187.13248	5.6
195.13748	1.2
225.14771	1.3
229.12114	1.6
229.14351	22.6
243.15959	1.8
257.17441	1.5
269.17502	3.4
274.06381	1.1
301.20059	15.1
313.66486	1.2
397.25861	89.5
398.26157	2.5
411.27350	6.1
423.27438	38.8
455.30054	100.0
456.30478	1.2
543.69006	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01869	3.6
55.05270	2.2
55.05511	34.0
57.03440	10.7
57.07065	4.4
59.05002	2.2
65.03931	4.4
67.05503	100.0
69.03430	25.7
69.07066	16.1
69.41172	5.3
69.41597	8.1
71.04993	7.3
73.02903	2.7
79.05489	36.2
80.22989	1.3
80.89167	1.4
81.03418	63.5
81.06577	3.4
81.07056	65.0
83.04980	27.6
83.08626	16.1
85.02901	5.8
85.06516	3.1
91.05481	28.0
93.07042	34.5
95.04966	11.3
95.08610	42.3
97.02891	21.6
97.06534	4.2
97.10166	17.0
99.04451	6.0
99.08090	2.5
105.04507	1.5
105.07032	24.0
107.04954	3.3
107.08592	22.6
109.02852	9.5
109.04045	1.3
109.06509	4.7
109.10154	50.7
111.04450	9.7
111.08072	4.8
111.11694	1.8
117.07011	9.4
118.41506	1.3
119.08578	18.6
121.06478	2.0
121.10149	14.5
123.04456	1.8
123.08072	3.5
123.11670	9.4
125.09634	14.9
127.03888	10.2
129.05470	10.5
129.06973	6.2
131.08578	14.9
133.06494	2.8
133.10135	12.9
135.08028	5.2
135.11702	9.3
137.09587	4.7
137.13191	2.5
142.07765	2.2
143.08546	6.9
145.06425	2.0
145.10129	13.4
147.08037	4.0
147.11684	8.9
149.09584	4.1
149.13258	5.6
151.11090	1.6
153.09088	2.1
155.08531	4.0
155.10654	2.5
157.10133	5.6
159.11676	9.9
161.13269	5.6
163.11220	2.1
163.14813	2.8
169.10120	4.2
171.11665	5.8
173.09573	1.6
173.11725	19.1
173.13245	6.7
175.11171	2.3
175.14804	2.2
181.10153	1.8
183.11693	3.4
185.09575	2.1
185.13269	3.5
187.11221	2.0
187.14894	1.9
189.11215	15.7
189.12735	2.3
195.11717	2.0
197.13263	2.6
199.11139	2.2
199.14853	2.9
201.12823	1.7
203.10762	1.7
223.14972	2.0
227.12740	16.4
229.14319	25.7
245.13739	3.9
259.20685	2.1
261.22223	7.0
263.23679	3.9
271.20483	1.7
277.21567	1.8
289.21628	2.0
291.23297	2.3
299.14847	2.4
301.21500	7.2
303.23117	2.2
323.23187	1.9
327.23090	2.0
331.22641	2.0
335.25818	10.5
337.27359	13.7
341.24634	1.9
351.23251	4.3
351.77655	1.5
369.24405	8.5
371.17108	7.8
373.18460	4.7
387.25244	4.3
405.25885	2.1
417.69553	1.4
443.27609	3.1
448.50092	1.5
461.28870	3.2
479.29782	2.6
489.35510	6.8
507.36801	4.2
597.37610	5.0
615.38702	3.4
633.39764	14.1
651.40906	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	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62758	1.6
51.02376	1.6
53.03948	8.3
55.01868	3.2
55.05511	28.8
57.03433	10.3
57.07074	4.1
59.04986	3.6
60.37645	1.5
62.78413	1.5
65.03951	3.6
67.05505	100.0
69.03431	26.0
69.07062	14.2
69.28105	15.4
71.01331	1.7
71.04990	8.1
71.08621	1.6
73.02940	1.6
79.05500	31.7
81.03418	55.4
81.07059	59.8
82.86620	1.2
83.04982	20.8
83.08626	15.0
85.02888	5.5
85.06515	5.1
87.66936	1.5
89.89799	1.3
91.05481	31.5
93.06472	2.1
93.07047	33.2
95.04974	9.6
95.08051	2.5
95.08614	35.5
95.09235	2.1
97.02895	14.3
97.06522	4.9
97.10181	14.6
99.04445	5.0
99.08075	2.3
105.07049	19.2
107.04952	3.4
107.08592	23.0
109.02901	9.1
109.06539	6.8
109.10158	61.3
111.04477	7.7
111.08069	5.6
117.07011	12.1
119.08585	20.0
121.06532	3.4
121.10155	12.3
123.04426	1.6
123.08070	3.6
123.11727	5.6
125.09635	11.0
126.33285	1.3
127.03906	10.7
128.06209	1.3
129.05496	7.9
129.07004	9.5
131.04930	1.9
131.08566	17.2
133.06496	4.0
133.10124	11.5
135.08073	5.0
135.11717	9.5
137.05959	1.6
137.09583	3.6
139.11176	2.3
141.06996	2.5
142.07790	2.3
143.08577	7.1
145.06564	2.1
145.10144	11.0
147.08029	3.7
147.11667	10.4
149.09720	1.5
149.13235	4.9
153.09190	2.0
155.08566	4.9
155.10617	2.4
157.10136	6.2
159.08078	1.9
159.11659	8.3
161.09549	1.7
161.13187	3.6
163.11131	3.0
163.14832	2.3
169.10107	3.4
171.10312	2.3
171.11703	5.4
173.09586	2.8
173.11737	17.7
173.13277	6.2
175.11169	2.5
175.14835	3.3
177.12697	2.9
179.08565	1.6
183.11662	3.5
185.09564	2.8
185.13266	4.5
187.11224	1.8
187.14856	4.1
189.11240	14.1
189.12726	2.3
189.16489	1.6
195.13663	1.5
197.13295	1.7
199.11221	1.8
199.14804	3.2
201.12636	1.7
215.14304	1.6
227.12741	18.2
229.14349	27.4
243.21060	2.4
245.13879	3.8
259.20532	3.9
261.22070	5.3
263.23605	1.8
273.22031	2.3
277.21667	2.0
283.20731	1.9
299.14777	2.6
301.21576	4.1
303.23230	4.0
309.22079	1.4
319.22641	3.1
333.24332	1.7
335.25848	6.0
337.27271	10.4
345.24289	2.3
351.23099	5.1
369.24109	8.4
371.17111	6.9
371.25952	1.8
373.18558	5.0
387.25079	6.5
405.26367	1.6
443.27979	2.4
461.28983	4.8
479.30136	3.1
489.35815	5.2
507.36670	4.0
597.37738	4.1
615.38745	5.5
633.39972	18.5
651.40723	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	651.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94186	1.3
53.03939	6.2
53.51696	1.3
55.01859	5.2
55.05260	2.0
55.05509	33.4
57.03441	11.7
57.07064	1.8
59.04986	3.0
65.03926	4.6
67.05505	100.0
69.03434	24.8
69.07066	22.1
70.85771	2.4
70.86092	2.1
71.04991	7.5
71.08586	1.6
73.02898	1.5
79.05066	1.8
79.05496	32.4
81.03418	68.8
81.06580	3.1
81.07059	61.5
83.04981	30.4
83.08620	14.9
85.02893	3.9
85.06532	4.5
91.05479	26.8
93.06467	2.3
93.07046	36.9
95.04961	8.3
95.08607	48.6
97.02899	19.9
97.06507	4.0
97.10172	18.4
99.04443	7.7
103.03947	1.4
105.07030	21.0
107.04946	3.8
107.08587	22.9
108.22626	1.4
109.02863	11.5
109.06502	5.2
109.10156	57.4
111.04439	10.2
111.08077	4.1
117.07022	14.5
119.08584	20.7
121.06477	3.6
121.10128	16.6
123.08042	3.4
123.11674	8.3
125.09624	16.4
127.03922	12.0
129.05489	14.8
129.06987	6.8
129.54704	1.4
131.08559	15.7
132.00514	1.2
133.06432	3.1
133.10120	14.7
135.08032	5.2
135.11682	9.2
137.06047	1.3
137.09576	4.5
137.13304	2.0
139.11113	1.6
141.06970	2.7
142.07788	2.1
143.08568	8.1
145.06493	2.6
145.10121	11.4
147.08028	3.0
147.11684	8.6
149.09604	2.8
149.13228	5.8
151.11189	2.0
155.08549	4.0
155.10661	4.2
155.27319	1.3
157.10106	5.6
159.08015	2.4
159.11687	11.3
161.09596	2.5
161.13254	4.9
163.11180	1.6
163.14833	2.7
165.12675	1.9
169.10060	2.5
171.08029	2.1
171.11711	5.7
173.11728	14.2
173.13264	6.5
175.11237	3.4
175.14844	3.5
181.10112	1.8
183.06531	1.8
183.08028	1.6
183.11653	2.9
185.13271	5.4
187.11156	1.7
187.14745	2.3
189.09517	2.1
189.11217	15.9
189.12740	2.6
197.13280	3.3
199.11101	1.5
199.14827	1.4
201.12703	1.8
201.16240	1.9
209.13351	1.4
215.14511	1.6
227.12753	18.9
227.17905	1.3
229.14333	21.6
235.89319	1.3
243.20929	1.8
245.13803	5.8
259.20496	2.9
261.22137	7.2
263.23712	4.3
277.21811	1.7
282.23019	1.3
287.23837	1.6
297.13214	2.1
299.14890	2.1
301.21542	4.7
303.23126	4.8
315.23279	2.0
335.25912	12.4
337.27383	16.8
351.22989	3.0
367.22531	1.6
369.24249	9.7
371.16953	9.0
371.25342	1.8
373.18469	8.4
387.25220	4.6
405.26276	3.0
461.28928	3.3
479.29810	2.6
489.35684	5.5
505.35181	1.9
507.36816	6.9
559.36182	2.2
573.37860	2.2
585.37305	1.5
597.37854	3.6
615.38824	5.6
633.39929	16.8
651.40955	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	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.2
55.01867	4.6
55.05232	2.0
55.05508	36.9
55.19930	1.4
57.03441	13.4
57.07066	2.9
61.47445	1.4
62.96751	1.3
65.03941	5.6
67.05507	100.0
69.03434	29.8
69.07067	17.6
71.05001	10.3
71.60254	2.1
73.02928	2.1
79.05495	32.0
81.03422	65.5
81.07061	66.6
83.04987	20.9
83.08607	16.3
85.02919	7.4
85.06540	3.6
87.04474	1.9
91.05484	29.5
93.07050	38.9
95.04989	11.2
95.08613	44.3
97.02889	19.2
97.06549	4.2
97.10177	19.3
99.04460	5.7
103.03946	2.4
105.07037	25.0
107.04975	3.5
107.08596	25.0
109.02885	11.6
109.06545	3.2
109.10156	65.3
111.04459	9.1
111.08067	4.1
115.05476	3.3
117.07011	12.5
119.08586	22.6
121.06548	2.0
121.10148	14.7
123.08067	3.6
123.11719	9.2
125.09620	15.5
127.03934	11.6
128.06223	3.0
129.05493	10.7
129.06995	7.5
131.08568	14.4
133.06490	3.9
133.10146	15.0
135.08081	6.2
135.11665	9.4
137.09627	4.2
137.13289	2.7
139.11192	2.8
141.06943	1.9
142.07809	2.4
143.08548	7.9
145.06458	2.4
145.10126	13.6
147.08078	3.2
147.11679	10.2
149.09644	3.2
149.13258	7.3
151.07620	1.7
151.11217	2.1
153.09082	3.2
155.08586	4.9
155.10733	3.1
157.10138	6.9
159.08081	2.3
159.11642	10.2
161.09601	3.2
161.13277	7.4
163.11166	1.6
163.14830	3.3
167.08551	2.9
169.10107	3.3
171.08069	2.1
171.11690	5.3
173.09564	2.5
173.11746	18.7
173.13292	7.7
175.11214	2.9
175.14857	3.9
177.09135	1.9
177.12798	2.2
177.16284	1.5
183.11656	1.8
185.09654	2.6
185.13275	5.8
187.11208	1.6
187.14795	3.4
189.11221	13.6
191.14328	2.2
197.13342	4.5
198.25557	1.4
199.14848	4.3
209.13458	2.0
213.12726	2.1
217.15991	1.8
227.12743	19.4
229.14330	28.3
229.16240	1.4
243.13640	1.9
243.21025	2.8
245.13818	4.5
247.16969	2.0
259.20779	1.6
261.18610	1.6
261.22137	5.3
263.23792	3.9
289.21762	1.7
291.23035	1.6
297.13257	2.3
299.14941	2.3
299.29291	1.5
301.21686	5.5
303.23264	2.0
313.21707	1.9
317.24692	2.0
319.22797	1.8
327.23257	2.2
335.25790	8.2
337.27338	14.0
345.24277	4.3
351.23267	4.1
363.25220	1.6
369.24319	8.4
371.17105	7.3
373.18509	6.4
387.25308	5.7
404.44302	1.9
405.26157	3.1
443.28094	4.1
461.28845	4.0
479.30054	3.5
489.35501	4.6
505.34525	1.9
506.50565	1.7
507.36713	3.8
531.36633	2.7
547.36853	2.2
597.38135	3.1
615.38959	7.6
633.39758	14.0
651.40131	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	651.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.3
55.05496	0.5
58.79582	0.2
60.05640	0.3
69.03432	1.4
69.65392	0.9
70.06577	0.6
71.04971	0.2
72.08152	0.9
72.92188	0.2
73.02885	0.3
79.05478	0.7
81.03420	1.3
81.07061	2.2
85.02905	1.6
87.00817	0.3
87.06715	3.3
91.05457	0.9
95.04964	0.3
97.02881	0.8
99.04476	0.5
103.03932	0.2
109.02879	1.4
111.04416	0.3
113.04588	0.3
117.03389	0.3
119.04974	0.4
121.02824	0.3
123.04428	0.3
125.04599	0.2
126.02956	0.2
127.03906	1.3
137.05928	0.4
141.01820	0.2
141.04021	1.2
142.04831	0.8
143.05637	100.0
145.02834	0.4
147.04395	1.4
151.03920	1.5
152.07042	0.2
155.05664	0.2
163.03958	0.3
167.05685	0.4
167.07051	0.6
175.03896	0.3
177.05450	1.2
185.06674	0.7
206.04526	0.2
207.06657	0.4
213.03883	0.3
223.11888	0.9
231.04889	0.2
232.07159	0.2
305.10901	1.9
318.80066	0.2
373.09802	1.8
433.11743	0.5
499.13156	1.7
517.13910	1.3
535.15179	4.2
553.16125	2.6
603.19464	0.2
607.20160	0.9
633.22424	3.7
651.22693	1.2
651.36365	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01863	0.1
55.05491	0.4
57.03422	0.2
57.23287	0.1
57.41360	0.1
60.05641	0.2
62.41505	0.1
68.99772	0.2
69.03428	1.2
70.06571	0.4
71.04967	0.2
72.08136	0.2
73.02915	0.1
73.04018	0.1
79.05493	0.7
81.03418	1.1
81.07050	2.2
83.02470	0.2
83.04938	0.2
84.08125	0.2
85.02908	1.3
87.00836	0.2
87.06708	3.7
90.14469	0.1
91.04972	0.1
91.05453	0.7
95.04951	0.2
97.02894	0.9
99.04437	0.4
105.01876	0.1
109.02877	1.1
111.04426	0.2
113.04598	0.3
113.63915	0.1
116.98540	0.2
117.03324	0.1
119.04926	0.2
121.02859	0.2
122.06001	0.1
123.04429	0.1
125.04560	0.2
126.03017	0.2
127.03916	1.6
129.05473	0.2
136.07571	0.1
136.48901	0.1
137.05908	0.3
139.03969	0.2
141.04062	1.0
142.04851	0.4
143.05632	100.0
145.02858	0.3
145.04929	0.3
147.04425	0.3
149.05992	0.1
151.03928	1.1
155.05600	0.3
159.02824	0.2
163.03888	0.2
164.07095	0.2
167.05666	0.2
175.03943	0.3
177.05499	0.7
185.06668	0.6
207.06516	0.4
209.06715	0.1
213.03918	0.2
223.11919	0.5
229.22813	0.1
231.04877	0.3
233.06612	0.2
237.02789	0.2
241.12849	0.2
251.07623	0.1
269.08896	0.1
305.10892	1.7
357.08173	0.2
373.09836	1.9
391.10715	0.1
429.10413	0.1
433.12039	0.4
469.24588	0.1
481.11902	0.2
499.13046	1.9
517.14056	1.6
535.15161	4.2
553.16180	3.6
615.21777	0.1
633.12732	0.2
633.22461	3.6
650.35474	0.2
651.23840	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01868	0.8
55.02110	0.4
56.05017	0.4
57.03394	0.3
57.38355	0.4
59.78164	0.4
69.03415	1.8
69.66872	2.2
70.06590	1.2
71.04987	0.7
73.89680	0.4
74.06088	0.7
78.58349	0.4
81.03419	2.2
84.08135	1.0
85.02927	1.9
87.06716	4.6
91.05498	0.6
95.08613	0.7
97.02921	1.1
97.06522	0.5
98.20707	0.4
99.04425	0.4
99.22632	0.4
107.08592	0.5
108.04459	0.6
109.02908	2.5
120.06614	0.4
121.02907	0.8
122.06026	0.4
125.04524	0.5
127.03920	2.4
137.05946	0.6
141.04099	2.1
141.24911	0.4
142.04921	0.5
143.05650	100.0
144.04095	0.5
145.02859	0.7
147.04442	0.4
148.04033	0.4
148.07571	0.4
161.07153	0.7
163.03853	0.5
164.07111	0.5
168.06619	0.5
171.09052	0.4
172.07614	0.5
174.09035	0.5
175.03914	0.5
175.08698	0.8
176.07065	1.5
177.05495	1.3
178.08684	0.8
185.06949	1.0
188.07065	0.7
189.10254	0.8
190.08714	0.5
194.04556	0.4
199.08658	0.9
200.07118	0.7
202.08670	0.9
203.08188	3.0
204.06532	0.7
207.06554	0.9
213.10265	1.3
215.08167	1.2
215.20610	0.4
217.06157	0.5
217.09674	3.0
220.88681	0.4
227.08171	1.9
230.08188	0.6
231.07756	0.9
241.09773	3.0
242.08054	0.7
243.11365	0.6
245.09236	5.7
247.10806	0.8
250.07106	1.8
253.09622	0.5
255.07747	0.8
259.10904	2.3
263.10269	1.9
269.09293	1.4
271.06058	0.5
271.10818	2.3
273.08783	3.6
283.05853	0.5
287.10333	2.9
289.11899	1.3
291.09747	1.7
297.08661	2.0
305.11362	2.3
315.09784	2.8
333.10852	3.6
343.22299	1.6
347.12329	1.0
365.13632	0.8
373.14093	0.6
375.11978	1.2
384.41379	0.4
397.13989	2.6
399.11951	0.8
407.14694	0.6
413.13394	0.8
415.14981	2.1
417.12979	1.2
423.11871	2.8
431.14572	1.2
433.16125	1.4
434.69177	0.5
435.13953	0.6
441.12930	5.7
449.15634	1.3
459.13995	10.8
473.15225	0.9
477.15121	7.5
491.16617	3.6
505.27814	1.0
509.17743	3.4
601.18707	1.6
619.19989	23.1
620.19427	0.6
651.22424	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.155
Annotation	Malonylapiin
Peak:m/z	Relative Intensity
55.01857	0.1
55.05494	0.1
57.03431	0.5
61.02898	0.1
61.97670	0.1
67.01858	0.4
68.99770	0.4
69.03423	0.5
69.96404	0.1
70.06884	0.1
70.07279	0.1
70.30717	0.1
71.04997	0.1
73.02908	0.8
73.63629	0.1
73.75822	0.1
77.83881	0.1
81.03416	0.4
83.04980	0.1
85.02901	0.9
85.36937	0.1
87.00810	0.2
91.05461	0.3
95.04954	0.1
97.02879	0.5
98.21422	0.1
99.04487	0.1
103.03919	0.1
105.01830	0.1
109.02878	0.5
110.07147	0.1
111.00809	0.1
111.04438	0.2
115.03916	0.2
115.94187	0.1
119.04938	1.9
121.02846	0.7
123.04398	0.1
125.02330	0.1
127.03909	0.6
129.01799	0.3
129.05493	0.1
137.02344	0.1
137.06006	0.1
143.05602	0.1
145.02821	0.6
145.04935	0.1
145.06548	0.1
147.02867	0.1
147.04480	0.1
151.03883	0.1
153.01819	3.8
159.02942	0.1
163.03883	0.4
167.07025	0.1
169.98074	0.1
171.02881	0.8
173.05971	0.1
174.02316	0.1
175.03740	0.1
186.97348	0.1
187.03909	0.1
187.05890	0.1
189.03905	0.2
193.04980	0.1
196.40234	0.1
197.05984	0.1
203.07042	0.2
207.06483	0.1
216.33359	0.1
223.05939	0.1
225.05470	0.2
229.04947	0.2
231.05020	0.1
243.06467	0.3
247.05956	0.2
253.05014	0.1
270.05115	0.1
271.05991	100.0
272.06332	0.8
273.06046	0.1
275.75781	0.1
287.05682	0.4
288.05765	0.3
313.06995	0.1
433.10947	0.2
475.12183	0.1
519.11505	0.6
565.15753	0.3
651.15405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
55.05508	0.2
56.05025	0.1
57.03418	0.1
57.62244	0.1
65.03951	0.1
67.01863	0.6
67.05485	0.3
68.99797	0.6
69.03439	0.6
69.07069	0.2
70.06566	0.5
70.76789	0.4
71.04964	0.2
74.09696	0.1
79.05471	0.3
81.03415	1.1
81.07042	0.4
83.04989	0.1
84.08140	0.1
85.02890	0.7
86.09711	0.2
89.03915	0.3
91.05470	1.1
93.07038	0.3
95.04964	0.3
95.08588	0.3
97.02907	0.9
99.04463	0.2
103.05445	0.2
105.07011	0.4
107.04949	0.3
107.08582	0.2
109.02905	0.6
109.06568	0.1
109.10166	0.3
111.00812	0.2
111.04419	0.2
115.05453	4.0
117.03370	0.3
117.06995	0.4
119.04924	0.6
119.08611	0.2
120.08051	0.2
121.02872	0.5
121.10106	0.2
122.06001	0.2
123.04421	0.3
127.03915	0.6
128.06190	0.1
129.06950	0.1
131.04921	0.4
131.08498	0.1
132.05717	0.6
133.06514	0.2
133.10112	0.1
135.04424	1.8
135.07965	0.1
137.02357	0.8
137.05971	1.6
143.04813	2.3
144.05717	0.3
145.02844	0.4
145.10101	0.2
146.03644	0.2
147.04349	0.6
147.08025	0.4
147.11612	0.1
149.05904	0.2
149.09654	0.2
151.03905	0.7
153.01823	5.7
157.06461	0.2
157.10103	0.1
160.05208	2.0
161.02336	1.2
161.05992	1.1
163.03902	0.2
163.07582	0.2
167.07025	0.4
171.02876	2.3
171.04407	2.5
175.03961	0.6
175.07550	1.6
177.05461	1.3
179.03395	0.4
181.04863	0.1
185.05942	0.3
188.04677	1.2
189.05458	0.1
193.12349	0.2
203.07031	30.7
207.06517	1.1
219.06502	0.4
221.08107	0.3
237.02824	0.1
241.05022	1.0
245.04503	0.2
259.05939	0.2
263.05646	0.2
269.04471	0.5
271.05933	0.8
287.05493	100.0
288.05905	0.7
339.04926	0.4
347.11255	1.7
365.12262	1.1
650.34613	0.4
651.34357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79076	1.7
55.01870	6.1
57.03437	2.8
61.02921	5.5
65.03956	2.9
67.05498	2.2
68.99797	6.9
69.03434	4.1
69.60199	8.2
69.60626	4.8
70.06586	4.0
72.08168	2.0
73.17115	1.6
79.05501	3.3
81.03418	4.9
81.07062	2.9
83.04974	1.8
84.08157	2.2
85.02910	19.9
86.09672	2.3
87.00810	7.7
91.05477	6.5
93.07070	2.4
95.04993	3.1
95.08591	2.0
97.02901	5.4
98.21458	2.9
103.03942	6.1
103.05468	1.9
105.07031	3.8
107.04970	4.0
109.02878	3.4
111.04495	2.7
115.05482	1.7
117.03367	2.2
119.04951	15.7
119.08637	1.5
121.02003	3.4
121.02869	52.4
121.06467	2.4
123.04494	2.0
124.07588	9.5
127.03944	4.6
129.01857	3.0
129.10300	1.7
131.04921	3.6
135.04405	3.6
137.06006	2.6
139.03917	2.4
143.05672	18.1
145.02859	11.4
147.04410	6.9
149.05988	3.0
151.03908	7.5
159.04469	3.3
160.05270	1.8
161.06012	4.0
163.03888	3.5
167.07069	7.2
173.06003	2.5
175.03903	5.2
177.05469	11.1
179.03389	2.3
181.05025	2.2
189.01855	10.5
189.05547	3.4
191.03465	5.6
193.05032	1.8
195.02867	10.0
201.05437	3.4
203.03392	19.0
205.05025	3.2
207.02933	11.3
207.06531	6.0
209.04474	2.8
215.03441	8.8
217.04967	8.6
219.02933	4.9
221.04396	9.0
225.10242	1.8
227.03423	3.0
231.02892	3.1
233.04504	5.5
235.05963	2.6
241.04999	3.2
243.02890	2.9
245.04494	4.3
251.06912	1.7
255.02844	2.0
261.04028	3.3
265.05014	1.9
267.06567	3.6
268.07333	4.5
269.04431	2.2
271.05920	2.9
273.03888	4.5
275.11795	2.2
279.06580	5.2
280.07010	2.1
281.08148	6.4
283.05923	10.2
284.06567	2.4
291.06555	3.7
292.07327	3.4
293.08084	5.8
294.05222	21.8
295.06009	60.5
295.09378	3.9
296.06668	4.2
297.07581	9.5
305.08063	5.2
306.08859	3.3
307.06003	64.1
307.09268	3.4
308.06778	20.8
309.07574	24.3
313.07205	6.3
317.08078	7.1
319.06107	8.2
320.06808	10.3
321.07559	63.0
322.08270	10.1
323.05701	2.9
323.09113	8.1
325.07080	79.0
329.08087	5.7
331.06000	2.3
333.07571	29.1
334.08289	6.7
335.05438	3.9
335.09097	31.1
336.06247	5.8
337.07068	77.3
337.11163	3.8
339.08698	5.6
343.09610	1.9
345.07571	19.8
346.08295	2.6
347.09186	9.0
348.06320	2.0
349.07065	54.7
351.08609	35.9
355.08160	19.8
359.09296	4.3
361.07016	35.2
361.11096	4.2
362.07693	2.8
363.08606	34.7
363.13144	2.7
365.10260	3.4
367.08038	11.9
371.09409	2.4
373.06921	18.7
373.10718	1.8
375.08609	12.7
377.06329	2.2
377.10580	1.8
379.03244	3.7
379.08130	75.7
387.08530	8.3
389.10330	3.0
391.08142	85.1
393.10022	3.7
399.08179	2.2
401.10229	7.4
403.08026	13.1
405.09561	3.8
409.09210	99.1
415.07993	9.3
417.09769	5.6
419.11304	2.6
421.09213	9.4
427.10266	100.0
429.09598	6.0
433.09207	16.1
439.10410	3.3
442.59821	1.8
445.10760	12.4
451.10291	6.2
457.09204	12.3
460.18619	2.2
463.10104	2.8
469.11395	10.0
475.10361	11.5
481.11557	5.0
492.21317	3.9
493.11502	9.8
493.18253	1.5
495.09207	14.1
499.11908	2.5
505.11047	4.5
511.12289	7.3
513.10272	44.3
517.11072	3.1
523.12549	12.7
525.10114	6.7
531.11121	3.7
535.12280	7.1
543.11176	17.4
549.10223	4.8
553.13434	10.7
561.11865	8.8
567.11401	32.0
579.11407	14.8
581.22058	1.8
585.12402	30.7
597.12421	60.5
601.26410	5.0
615.03711	2.0
615.13409	26.9
633.14569	9.1
633.29059	19.0
635.90277	2.4
651.15948	3.4
651.27466	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	649.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.05513	4.1
56.85898	0.6
57.03436	1.2
59.05003	0.6
61.02929	1.9
67.05500	10.0
69.03437	2.2
69.07074	3.6
70.23928	1.9
71.04993	1.4
79.05502	5.4
81.03419	4.1
81.07055	7.9
83.04984	2.5
83.08626	2.6
85.02908	1.4
85.06547	1.3
91.03964	0.9
91.05487	5.9
92.92257	0.7
93.07046	6.5
95.04976	1.8
95.08625	4.2
97.02908	1.3
97.06540	1.2
97.10167	1.0
98.64958	0.6
99.04494	0.7
103.05569	0.6
105.07034	5.8
107.08619	3.3
109.06515	1.0
109.10159	5.3
117.07055	2.8
119.08583	5.3
121.10155	2.7
123.08094	1.4
125.09676	1.2
129.05434	0.6
129.06987	3.1
131.08588	4.0
133.10141	3.7
135.11705	1.6
137.09608	0.9
137.62077	0.6
141.07100	0.8
143.08557	1.4
145.06551	0.6
145.10141	2.6
147.11710	2.2
149.09602	0.8
155.08607	1.5
157.10150	1.4
159.11728	2.1
161.13252	1.3
167.08640	0.8
169.10106	0.8
171.11751	1.8
173.11847	1.0
173.13255	1.5
175.11313	0.9
183.11618	1.1
185.13304	0.9
187.14745	0.7
189.11227	1.5
195.11598	0.7
196.05969	0.7
197.13249	1.2
216.89810	0.6
229.14456	1.9
245.13832	0.7
259.20654	1.0
283.15131	8.0
333.20288	5.0
339.17880	4.0
389.23053	3.2
477.22971	0.7
487.34201	9.7
497.09738	0.6
542.29218	0.8
595.36328	1.0
613.37787	1.0
631.38385	2.1
649.26898	5.4
649.39252	100.0
650.40039	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	647.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
55.05511	0.4
57.03429	0.2
65.03937	0.1
67.05508	0.9
69.03431	0.7
69.03746	0.1
69.07061	0.9
71.01367	0.1
71.04969	0.1
71.12688	0.1
73.02924	0.1
73.04022	0.1
79.05487	0.6
81.03418	0.7
81.07055	2.0
83.04987	0.2
83.08615	0.3
84.08087	0.1
85.02902	0.6
85.06554	0.2
87.06713	3.4
91.05476	0.9
91.21780	0.1
93.07050	1.0
94.06550	0.1
95.04955	0.4
95.08609	1.5
97.02880	0.4
97.06554	0.2
97.10170	0.3
99.04428	0.2
99.08117	0.1
101.03432	0.1
103.05437	0.1
105.07021	0.7
107.04973	0.2
107.08602	0.8
109.02875	0.4
109.06487	0.2
109.10161	0.8
109.10784	0.1
111.08119	0.2
111.49402	0.1
112.07587	0.1
113.04591	0.2
113.06021	0.1
117.03391	0.2
119.04920	0.5
119.08589	0.5
120.08145	0.1
121.06544	0.1
121.10158	0.6
122.06036	0.4
123.04436	0.1
123.11700	0.5
125.04595	0.2
125.05968	0.1
125.09622	0.2
126.03024	0.2
127.03931	0.5
129.06960	0.2
131.08556	0.2
133.06473	0.1
133.10117	0.6
135.04446	0.2
135.08035	0.2
135.11713	0.3
136.06113	0.2
136.07571	0.1
137.06000	0.5
137.09599	0.2
138.09091	0.1
140.07047	0.2
141.04051	0.6
143.05638	100.0
144.06006	0.3
145.02837	0.7
145.04829	0.1
145.10179	0.2
147.04404	1.4
147.11671	0.3
148.04713	0.1
149.05978	0.2
149.09604	0.2
149.13248	0.2
151.03900	0.1
151.07555	0.2
151.11192	0.1
153.01875	0.1
153.05405	0.2
159.08109	0.1
161.13243	0.1
162.07784	0.2
162.09111	0.1
163.03970	0.2
163.11188	0.1
166.08647	0.3
167.07065	0.8
167.08327	0.1
168.07350	0.1
172.03864	0.2
175.03918	0.3
175.14873	0.1
176.04330	0.1
177.05487	1.5
178.05811	0.1
185.06686	0.3
193.08586	0.1
198.09059	0.2
201.16306	0.1
204.06535	0.1
207.06540	0.6
208.09634	0.1
215.11862	0.1
243.11276	1.0
245.07224	0.1
249.10233	0.1
251.11765	0.1
253.13374	0.1
254.10246	0.2
265.09784	0.2
271.06149	0.2
279.11389	0.3
281.12704	0.2
285.12326	0.9
287.05493	1.0
287.13440	0.2
301.11716	0.2
303.13367	0.9
305.10864	0.3
309.12625	0.2
310.12686	0.2
311.13452	0.1
326.12500	0.3
327.13358	0.2
328.13712	0.3
329.14346	0.1
339.13721	0.5
340.13785	0.1
341.14944	0.9
367.12787	0.1
372.16199	0.1
433.29114	0.1
450.19110	0.1
480.21210	0.1
481.21765	0.2
482.21793	0.1
493.21625	0.1
494.21414	0.2
524.20642	0.2
558.80676	0.1
580.34845	0.2
581.35144	0.3
593.35437	0.6
599.36420	1.7
611.36493	3.6
615.24377	0.3
629.37549	6.4
647.38623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
59.05004	0.4
67.05505	1.7
69.03423	0.3
69.07054	0.4
71.04996	0.3
79.05486	0.8
81.03415	0.7
81.07042	0.9
83.04986	0.4
83.08638	0.3
91.05478	0.6
93.07029	0.5
95.04928	0.2
95.08618	0.6
97.02909	0.4
105.07025	0.9
107.08613	0.6
109.10176	0.9
111.04450	0.3
111.47193	0.3
119.08586	1.0
121.10199	0.6
127.03847	0.3
129.07025	0.4
131.08557	0.6
138.66116	0.2
145.10115	0.9
147.08136	0.3
147.11681	0.3
149.09645	0.4
157.10123	0.3
159.11661	0.4
161.63153	0.3
173.09367	0.3
173.13245	0.3
185.04324	0.4
203.05280	0.4
238.39780	0.3
243.08473	0.8
252.10237	0.3
259.08002	0.3
275.20029	0.7
411.25171	0.4
429.26019	2.0
485.28641	1.7
647.33978	100.0
648.34332	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	647.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01865	0.4
55.05508	0.6
56.96562	0.3
66.44608	0.2
66.44956	0.2
67.05508	2.2
68.04337	0.2
69.03431	0.4
69.07066	0.7
79.05498	1.4
81.03417	1.2
81.07054	1.9
83.04965	0.6
85.02885	0.5
85.06527	0.2
90.38920	0.2
91.05476	1.3
93.07062	1.4
95.04958	0.3
95.08619	0.9
97.02885	0.6
97.06487	0.3
98.21532	0.4
105.07025	1.6
107.04980	0.3
107.08618	0.6
109.06531	0.6
109.10150	1.2
111.04438	0.3
114.21059	0.3
117.06992	0.4
119.08598	1.2
121.10170	0.6
127.03957	0.3
131.08572	0.9
133.10141	0.9
135.08026	0.3
135.11690	0.3
143.08580	0.3
145.10126	0.3
147.11694	0.5
157.10118	0.3
159.11659	0.3
161.09627	0.3
173.13226	0.3
180.16299	0.2
181.10098	0.3
185.04263	0.3
203.05269	0.6
229.88098	0.3
243.08440	0.7
275.19992	1.5
299.15067	0.3
299.20020	0.3
409.95679	0.3
429.21069	0.4
429.26068	2.0
457.27277	0.3
485.28598	1.8
647.33966	100.0
648.34387	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06499	0.3
55.01846	0.4
55.05482	0.4
56.96541	0.4
57.03395	0.4
61.02871	0.4
65.03924	0.6
66.33841	0.3
67.05502	4.0
69.03382	1.1
69.07021	1.6
70.06577	0.5
70.11250	0.3
70.33112	1.3
71.04950	0.5
79.05438	1.2
81.03371	1.4
81.07066	2.0
83.04925	0.4
83.08583	0.6
85.02853	1.1
91.05516	1.9
91.05987	0.5
93.06994	1.6
94.06565	3.3
95.04922	0.6
95.08549	1.3
97.02863	0.7
97.10049	0.4
102.63837	0.4
103.05417	0.5
105.06978	1.3
106.06520	0.5
107.04930	0.7
107.08544	1.0
108.08075	1.2
109.02840	0.6
109.06458	0.4
109.10106	0.8
118.92307	0.4
119.04906	0.5
119.08523	0.9
120.04438	0.4
120.08038	0.7
121.06486	0.7
121.10154	0.5
122.06030	8.8
123.04381	0.5
123.08031	0.4
127.03878	0.5
129.07034	0.6
131.04849	0.4
131.08551	0.8
133.10129	0.7
134.05960	1.3
135.04445	0.4
136.07549	3.1
137.06023	0.5
138.09122	1.7
140.07004	1.2
143.05583	0.8
143.08542	0.6
145.02805	0.6
145.06392	0.5
145.10048	0.4
146.05937	1.1
147.04350	1.0
148.07530	0.9
149.09569	0.4
150.59160	0.3
159.11555	0.4
162.09131	0.6
163.03859	0.7
166.08540	0.4
167.07082	1.8
172.03864	0.7
175.03941	0.5
177.05385	1.1
180.10220	3.3
181.04984	0.6
182.09460	0.4
190.04999	0.7
204.06509	1.2
206.08131	0.5
207.06514	0.9
208.09703	1.5
209.10693	0.8
211.08723	0.6
217.81306	0.4
221.10741	0.6
222.11472	1.5
223.08742	4.1
223.12227	2.3
224.09195	0.6
225.10240	9.9
226.10995	0.6
227.11729	1.6
229.92863	0.5
235.05977	0.7
235.08574	1.3
235.12250	1.7
236.09431	1.8
236.13055	0.6
237.10242	5.5
237.13809	2.0
238.11011	3.9
239.11839	4.3
243.11235	1.0
247.12387	0.8
248.09138	3.8
248.13002	0.5
249.10185	6.1
250.08542	0.9
250.10968	7.1
251.08092	4.5
251.11772	23.4
252.08757	0.4
252.09854	0.4
252.12550	4.2
253.13390	0.8
255.11182	0.5
261.10172	0.4
262.11038	1.3
263.11798	21.0
264.09033	0.6
264.12555	4.2
265.09763	2.7
265.13361	21.3
266.10892	1.8
266.13980	2.4
267.11392	0.9
269.12921	1.0
271.06003	0.6
275.11871	0.9
276.10220	0.6
276.12863	0.5
277.09680	1.4
277.13223	0.7
278.10458	4.8
279.11295	7.7
280.11966	0.9
281.12988	0.5
282.05139	1.0
283.10834	6.3
283.13998	0.8
285.12381	1.5
287.05563	0.8
291.11319	4.1
292.11960	1.1
293.09641	0.5
293.12857	8.2
295.10001	0.5
295.14355	1.0
296.11783	0.4
297.07617	1.5
297.12466	1.9
297.15598	0.7
298.13168	1.5
299.13702	0.4
300.14871	0.5
301.15640	0.6
303.13492	1.3
305.12708	0.5
307.10803	0.8
309.12341	1.8
310.13083	6.1
311.13824	5.6
312.06216	1.4
313.06671	0.9
313.11774	0.4
316.14212	0.5
319.10742	1.4
321.12161	1.4
323.13913	29.4
324.06403	0.5
324.14658	3.2
325.15475	42.0
326.15973	1.2
327.08701	4.9
337.07196	0.5
337.11731	0.9
337.15594	0.6
339.08945	0.6
339.13260	0.9
340.14484	0.5
344.13962	1.0
348.09836	1.2
350.16217	1.0
351.08688	1.9
351.13391	7.6
351.17474	0.3
352.14221	2.5
353.14993	6.6
358.15543	0.5
359.16187	0.5
363.12164	1.1
366.10968	3.9
367.11603	0.5
370.15143	1.6
371.15860	0.7
372.17133	1.1
381.13354	25.9
382.13574	2.0
383.16031	41.4
384.16772	3.6
385.17584	58.7
386.18286	2.1
414.18054	2.0
418.21359	0.7
442.17831	0.6
446.20789	23.0
456.19473	0.4
460.78220	0.4
474.20334	16.1
475.20343	0.6
494.22806	2.4
506.22903	100.0
507.23251	2.9
524.20392	0.4
525.24713	1.0
526.25488	1.0
597.23602	0.7
615.25366	1.4
629.15485	0.4
647.30670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35892	0.4
67.05511	2.8
68.16930	0.4
69.03395	0.6
69.07014	1.2
71.34684	0.8
79.05461	0.5
81.03363	0.7
81.07034	1.0
91.05414	1.3
91.84241	0.5
93.06990	0.6
94.06584	2.9
95.08543	0.7
107.04920	0.4
107.08566	0.4
108.08096	0.9
109.02825	0.5
109.10193	0.6
119.04940	0.6
119.08501	0.6
120.08053	0.6
122.06043	8.2
123.04586	0.4
126.44050	0.4
127.03940	0.5
130.06480	0.5
130.51462	0.5
134.05994	1.0
136.07565	2.3
138.09111	1.5
140.07022	0.9
145.09926	0.6
146.05984	0.8
147.04388	0.6
148.07507	0.9
159.11584	0.4
166.08589	0.7
166.58815	0.4
167.06993	1.1
174.09096	0.4
177.05499	0.8
180.10208	4.2
182.09749	0.5
190.04959	0.5
198.09143	0.4
204.06470	0.6
206.08199	0.4
207.06511	0.7
211.08586	0.4
211.12178	0.4
221.10722	0.8
222.11473	1.0
223.08614	3.4
223.12175	1.9
225.10222	7.8
233.08334	0.5
234.11504	0.7
235.08617	1.2
235.12260	2.0
235.30637	0.5
236.09387	1.8
236.13060	0.8
237.10233	4.6
237.13910	1.5
238.11009	3.3
239.11803	3.6
240.12411	0.4
241.09756	0.6
243.11232	0.6
247.12363	0.7
248.09169	2.9
249.10197	5.6
250.10973	6.8
251.08156	4.1
251.11803	20.9
252.12535	2.0
253.09679	0.7
253.13387	0.6
261.93173	0.4
262.11032	0.8
263.11813	17.7
264.08923	0.4
264.12457	2.7
265.09769	2.4
265.13358	18.1
266.10510	0.9
266.14120	1.4
267.11121	0.9
269.12741	0.8
275.11713	0.7
276.09918	0.7
277.09695	1.5
277.13321	0.9
278.10452	3.2
279.11267	6.8
280.12198	0.5
282.05124	1.1
283.10770	5.6
283.14001	0.8
285.12277	1.3
291.11288	3.5
292.11969	0.5
293.12857	7.0
295.11008	0.5
295.14282	0.9
297.07431	1.0
297.12442	2.0
297.15741	0.5
298.12985	1.5
303.13461	0.5
307.10733	0.6
307.14331	0.5
309.12256	0.8
310.13159	5.6
311.13873	5.7
312.06323	1.0
313.06970	0.5
319.10538	0.9
319.35144	0.5
321.12262	1.4
323.13913	26.0
324.14676	2.9
325.15460	38.8
326.15982	0.6
327.08603	3.4
337.11719	0.7
339.08820	0.9
339.13364	1.2
344.14047	0.9
348.09937	1.3
351.08682	1.3
351.13321	7.6
352.14127	2.5
353.14908	7.7
363.12219	1.0
366.11139	3.0
370.14993	0.9
371.15982	1.1
372.17096	0.9
381.13342	24.4
382.13684	1.6
383.16034	39.7
384.16730	2.7
385.17581	55.9
386.18445	2.2
414.18317	1.4
418.21332	0.7
419.18771	0.5
432.18942	0.7
446.20789	21.2
474.20291	14.8
492.21454	0.6
494.23212	2.0
506.22900	100.0
507.23212	1.4
524.20190	0.5
525.24622	1.0
526.25378	1.2
615.27942	1.0
647.30225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
55.01855	1.2
61.01059	0.7
62.36304	0.6
65.03950	1.2
67.05496	2.8
67.66023	0.7
69.03419	2.0
69.07063	3.4
69.35810	7.3
69.96709	0.7
70.06583	1.3
72.08144	0.7
79.05485	1.8
81.03405	2.4
81.07050	2.3
83.04975	1.0
85.02895	2.2
85.06588	0.6
86.09708	0.9
91.05489	5.5
93.07038	2.2
94.06578	5.1
95.04945	1.6
95.08642	0.9
97.02899	2.8
97.06522	1.0
98.21625	1.3
104.04928	0.7
105.05839	0.8
105.07005	2.2
106.06544	0.8
107.08610	0.9
109.02876	0.9
109.10145	1.2
110.06045	2.2
111.08070	1.4
112.07593	1.2
117.03383	1.5
119.04946	3.0
120.04468	1.3
121.02862	0.7
121.10113	1.1
122.06029	16.5
123.04450	1.1
124.07573	1.5
127.03925	1.5
132.08121	0.9
133.10126	0.9
134.06026	1.1
134.09634	1.5
135.08122	1.2
136.07579	4.0
137.05984	3.0
138.05557	0.9
140.07066	17.6
143.05641	6.1
143.08542	1.2
144.04370	2.3
144.08156	1.0
145.02838	4.1
146.06004	16.1
146.09821	0.7
147.04416	8.9
147.06752	0.9
149.05998	1.0
149.09711	0.8
150.05470	1.2
153.05418	0.7
155.08493	0.9
158.09636	0.8
160.07599	1.4
162.05496	2.9
162.09166	7.2
167.07111	4.4
167.08304	0.8
169.08817	1.0
170.09642	4.1
172.03946	11.6
172.07695	1.1
172.09822	0.8
172.11273	1.3
173.04684	1.6
174.05527	8.8
174.09058	0.9
175.03931	1.8
175.08707	1.0
177.05492	7.6
180.10168	5.6
182.09697	0.9
183.06691	1.1
184.07635	0.7
187.12364	3.7
191.05774	2.6
192.06544	1.8
197.10855	1.2
198.09161	23.2
199.08691	1.1
199.12265	1.6
200.09383	2.0
201.10291	1.0
204.06567	18.9
205.07031	0.8
206.08116	13.4
207.06540	4.2
208.09698	16.8
210.09236	1.2
211.08600	1.1
212.10928	3.8
213.01027	0.7
213.10246	1.7
214.08604	1.0
214.10739	0.9
215.11809	15.7
225.10295	2.5
226.08708	6.1
227.08223	1.3
227.11713	7.7
229.09764	1.5
229.13377	0.8
235.08713	2.2
237.10219	3.8
239.08250	1.1
239.11679	1.5
240.08946	3.3
240.10472	1.3
241.09697	5.0
241.13364	1.4
242.10542	2.7
243.11299	100.0
244.11670	2.0
249.10220	2.8
250.11099	0.9
251.08197	1.3
251.11858	3.4
253.09828	1.5
255.11285	28.8
256.08551	1.1
256.11960	1.7
257.09668	0.8
257.12830	5.4
264.08963	1.4
265.09753	4.4
266.10565	0.9
267.07733	0.8
267.11279	2.6
269.09198	2.9
277.09641	1.8
278.10452	1.5
279.07840	1.6
279.11218	6.2
283.10858	4.7
284.11624	1.4
285.12338	96.1
286.09796	1.8
286.12677	2.1
287.05527	9.0
287.10297	7.8
287.13559	1.6
292.08441	1.2
293.09216	2.6
295.10699	1.4
297.12338	3.1
301.11832	19.8
302.12546	0.9
303.13394	94.3
304.13736	1.3
307.10834	2.1
309.09088	0.9
311.10165	3.4
313.11804	8.9
317.10953	1.2
323.10107	1.3
325.11655	6.6
331.12918	4.2
335.10242	1.4
339.10034	1.0
342.12085	0.9
343.13062	1.1
345.14597	4.3
347.15945	1.4
351.09836	3.0
352.10718	1.4
353.11356	8.8
383.12582	4.9
384.13116	2.5
385.14001	13.4
408.15591	1.8
413.15262	0.9
428.15878	1.0
429.14044	1.0
430.17697	2.7
440.17673	1.1
446.16943	0.8
448.18677	1.2
456.15387	1.9
457.15906	1.2
458.17514	1.8
471.17773	2.2
474.10101	1.2
474.16589	10.4
475.17361	1.3
476.17679	1.0
477.16190	1.0
488.17938	2.4
489.18710	2.9
492.17599	10.4
493.18201	2.2
494.19116	1.8
506.19208	2.6
510.18817	1.4
524.20300	8.5
525.20691	1.0
571.25537	1.5
597.23328	3.2
600.26312	0.8
611.24762	1.1
615.24469	10.3
629.26007	8.1
647.31403	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	647.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05512	0.8
64.52232	0.4
65.03941	0.7
67.05501	1.7
68.05033	0.4
69.03417	2.0
69.07063	4.2
71.05001	0.5
71.10238	1.2
72.08128	0.5
79.05492	1.2
80.04982	0.7
81.03417	0.9
81.07060	0.8
84.08151	0.6
85.02888	1.4
89.03896	0.6
91.05479	1.8
93.07039	0.7
94.06014	0.5
94.06571	6.1
95.04961	1.7
97.02889	0.6
97.06536	0.6
105.07032	0.7
106.06549	1.0
107.04941	0.6
107.08603	0.5
108.04511	0.4
108.08110	2.2
109.02897	0.9
109.06490	0.5
110.05383	0.4
110.06052	1.1
112.07610	1.4
113.06008	0.4
116.04985	1.2
116.54614	0.4
117.03389	0.6
118.06572	1.1
119.04974	1.2
120.04469	0.7
120.08118	1.3
121.05274	0.5
121.58592	0.4
122.06020	18.7
123.04438	1.1
124.07607	0.7
127.03900	1.3
134.05984	1.8
136.07593	1.8
137.05978	1.1
138.05536	0.7
140.07056	28.9
143.05632	3.1
144.04451	2.6
145.02859	2.2
146.06000	13.9
146.08437	0.5
147.04425	3.7
147.06757	1.6
148.07587	2.9
149.05962	0.6
151.03893	0.5
152.07095	1.8
153.01863	1.3
160.07591	1.4
162.05481	1.9
163.03947	0.5
163.06207	0.9
164.07098	1.9
167.07056	1.3
172.03931	14.6
173.04706	1.1
174.05496	18.3
175.03918	0.8
175.06282	0.6
176.07062	12.7
177.05460	4.9
177.07870	0.5
178.08551	0.4
185.10733	0.7
188.07057	1.2
190.04951	3.7
191.05751	3.3
192.06607	2.7
195.09074	0.5
196.07507	0.6
197.07089	0.7
197.10788	1.6
198.07790	1.0
198.11180	0.4
199.08716	1.8
201.10280	1.0
204.06554	23.1
205.07056	0.4
206.08107	7.9
207.06526	1.9
209.10791	0.8
211.08717	1.5
211.12251	0.8
212.09427	1.7
213.10214	3.7
214.10881	0.5
215.08199	0.4
215.11819	1.8
216.10280	0.7
223.08655	1.1
223.12326	0.5
224.09380	0.7
225.10191	4.0
226.08643	1.1
226.10901	0.8
227.08127	0.5
227.11839	1.5
229.09795	1.2
231.11313	0.5
234.11531	0.6
235.08612	0.6
236.09329	0.5
237.10156	1.9
238.08806	0.6
238.11098	1.4
239.11740	2.6
240.08813	0.5
241.09668	3.0
242.11795	0.5
243.11292	11.1
243.13623	0.8
245.12915	0.5
249.10184	1.3
250.11070	0.5
251.11690	2.1
252.08842	0.5
253.09744	1.5
253.13405	0.5
255.11314	1.9
256.12100	1.7
257.09274	1.6
257.12869	1.3
259.10757	1.0
261.12408	1.8
263.08185	0.7
263.11868	0.7
264.08926	1.4
265.09735	3.1
266.10565	1.3
267.11313	2.4
268.09744	0.8
269.09259	2.5
269.12738	0.8
270.10107	1.1
271.06021	4.5
271.10675	2.2
273.12283	1.1
276.15051	0.7
277.09741	1.0
278.10608	0.9
279.11304	1.6
279.13849	0.8
280.12119	0.9
281.09271	0.6
281.12576	0.6
282.10440	0.4
283.10742	6.2
284.11639	2.0
285.09064	0.8
285.12302	16.2
287.05594	0.7
287.10339	4.0
287.13995	4.2
288.11194	0.8
289.12216	0.6
290.13055	0.6
291.17285	0.6
295.10745	1.1
297.12488	1.5
298.13104	1.0
299.10312	3.8
299.13934	1.1
300.11972	0.8
301.11694	3.0
302.12970	1.9
302.16467	0.5
303.13391	28.0
304.14389	3.5
305.15225	1.0
307.10773	0.6
309.12433	0.7
310.13354	0.6
311.10345	0.6
312.11264	0.5
313.11810	30.9
314.12576	1.0
314.16632	1.4
315.10135	0.6
315.13748	1.0
316.10870	2.9
316.14539	1.6
317.11847	1.0
317.15369	1.6
318.12347	0.9
318.15878	4.9
319.16904	3.7
320.17392	0.7
323.10220	1.3
324.11172	1.3
325.12003	1.4
328.14420	1.1
329.11584	1.8
329.15308	0.6
330.12460	3.5
330.15936	1.0
331.12939	13.7
331.16428	0.6
332.13824	2.1
332.17596	1.8
337.07980	0.6
337.11520	0.8
340.14612	0.7
342.12543	1.0
342.16281	0.6
343.13657	1.5
344.13962	3.6
345.14456	13.1
346.15430	5.9
346.18964	0.6
347.16278	5.1
348.17120	0.9
354.11935	0.8
356.10229	0.7
356.14096	1.4
357.11154	0.8
357.15207	1.1
358.11755	1.3
358.15607	3.2
359.12476	0.9
359.16348	1.2
360.13330	0.4
360.17102	6.4
362.14850	0.9
363.15698	0.8
369.11871	0.7
370.11496	2.1
370.15616	1.4
371.12701	3.3
371.16730	0.6
372.13300	7.8
372.17029	0.9
373.14035	3.9
374.14877	4.5
374.18750	0.8
376.16553	1.9
378.18188	2.0
379.18524	0.6
383.12546	0.6
384.13428	0.9
385.14148	2.3
386.14935	12.1
386.19571	0.7
387.15872	9.9
388.16614	8.3
389.13452	0.6
390.14304	1.0
390.18567	1.0
396.13525	0.7
398.15067	1.3
399.10825	3.3
399.15369	0.7
400.12390	0.9
400.16855	1.4
401.13605	1.2
401.17947	0.6
402.13605	2.4
402.18344	1.7
403.15582	0.8
404.16083	5.0
405.16714	2.6
406.17621	7.7
407.17996	0.6
408.19266	0.8
410.15338	0.6
412.16754	0.6
414.14459	8.1
415.15250	18.8
416.16019	25.0
417.16516	1.2
418.18045	3.0
419.18350	0.7
428.16055	2.6
429.16754	1.3
430.17676	5.8
431.18332	1.6
432.15225	2.7
433.16150	5.7
434.17084	7.3
438.14508	0.9
446.17075	7.8
447.17737	3.0
456.15564	4.1
457.16373	0.9
458.17145	1.0
460.15021	1.6
474.16602	36.6
475.17328	19.1
476.18161	9.0
476.24854	0.7
477.18307	0.6
506.19208	6.3
507.20090	3.0
571.25543	1.5
573.23395	4.1
579.22144	0.6
597.13989	0.6
597.23480	9.3
615.24445	100.0
616.24933	5.4
647.25494	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	645.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	2.0
67.05488	0.9
71.08628	1.1
71.59329	1.1
79.64918	0.8
81.07043	1.6
85.10239	0.7
91.05521	0.8
91.98930	0.7
95.08584	1.0
104.80199	0.7
109.10155	0.9
126.22546	0.8
153.27940	0.9
216.77405	0.7
313.27438	1.1
333.20319	8.1
338.24246	0.7
389.22992	5.2
572.96143	0.8
645.47015	100.0
646.46790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02340	0.2
53.03933	0.2
55.01857	0.3
55.05487	0.5
56.96540	0.2
57.03415	0.3
57.07062	0.2
63.43356	0.2
67.05509	0.8
68.99818	0.4
69.03434	0.9
69.07050	0.5
69.98515	0.8
71.04995	0.9
79.05471	0.5
81.03401	0.6
81.07074	1.2
83.04973	0.3
83.08649	0.2
84.08153	1.1
85.02921	1.4
85.06525	0.2
86.09670	0.3
86.75249	0.2
87.06692	0.6
91.05489	1.3
93.07080	1.0
95.04948	0.5
95.08595	0.8
97.02872	0.7
97.06499	0.2
99.04443	0.2
105.07026	0.8
107.04975	0.2
107.08567	0.3
109.02873	0.5
109.06543	0.3
109.10143	0.5
111.04416	0.3
117.03334	0.3
119.04980	1.1
119.08555	0.5
121.02898	1.7
121.06470	0.2
121.10105	0.5
122.06001	0.4
123.04400	0.2
125.09659	0.2
127.03944	0.8
129.05469	0.2
129.06947	0.4
131.04922	0.2
133.10133	0.6
135.08147	0.2
136.07526	0.2
137.02318	0.6
137.05966	0.5
140.07097	0.3
141.01845	0.9
143.05653	12.4
144.06032	0.3
145.02823	0.9
145.10124	0.4
146.06024	0.3
147.04390	1.5
147.08067	0.2
147.11673	0.2
149.05919	0.3
151.03929	0.2
151.07558	0.2
152.07217	0.2
153.01834	0.6
159.08058	0.2
161.13289	0.2
163.03934	0.4
163.07556	0.2
164.04727	0.2
164.07068	0.2
165.01849	2.2
167.07037	1.6
173.09529	0.3
175.03917	0.4
177.05478	1.6
180.10184	0.2
183.02907	2.0
193.05069	0.2
193.08586	0.2
198.09105	0.7
204.06555	0.6
205.08627	0.3
206.08118	0.4
207.06558	0.6
208.09645	0.3
212.10542	0.2
215.11845	0.6
217.08672	0.2
226.08670	0.2
227.06938	0.4
229.04886	0.3
243.11296	2.7
249.10286	0.2
255.06535	1.2
255.11285	0.2
265.05054	0.3
271.06030	7.2
281.57990	0.2
283.06021	100.0
284.06329	1.2
285.07626	0.7
285.12375	2.2
286.04752	0.5
287.05527	2.3
301.07141	1.6
301.11703	0.3
303.04926	0.2
303.13455	2.6
321.97714	0.2
339.12296	30.5
340.12634	0.4
345.14664	0.3
379.21802	0.2
381.31024	0.5
383.12201	0.2
432.69623	0.2
501.17499	0.4
506.19263	0.2
549.12524	0.2
597.23364	0.2
611.36304	0.3
615.24701	0.6
629.26947	0.3
629.37555	0.6
647.23175	0.3
647.37268	1.0
663.82428	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	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88309	1.0
53.03941	5.3
53.84454	1.2
55.01880	6.3
55.05511	28.8
57.03447	12.4
57.07064	3.5
59.05016	1.4
59.81980	1.1
64.12292	1.2
65.03947	3.3
66.54213	1.1
67.05507	75.5
68.05816	1.5
69.03429	3.0
69.07068	23.8
71.04993	6.3
71.36433	2.9
79.05494	55.3
79.05956	2.8
80.05820	1.3
81.03429	5.2
81.07059	100.0
82.07371	2.5
83.04992	7.5
83.08618	13.4
85.02911	1.6
85.06539	5.5
91.05482	68.4
93.07049	57.8
95.04964	12.2
95.08611	48.7
97.02892	2.1
97.06527	10.7
97.10183	6.3
99.08092	3.4
103.05482	1.9
105.07034	66.8
106.07360	1.3
107.04964	8.3
107.08593	37.7
109.06525	9.6
109.10148	23.4
111.08089	5.2
113.06032	2.0
115.05443	3.0
116.06282	1.7
117.07018	18.8
119.08585	56.5
120.08929	1.9
121.06526	4.8
121.10155	27.5
123.08077	7.1
123.11706	9.9
125.09634	5.0
128.06233	3.4
129.05518	1.5
129.07025	11.6
130.07787	2.6
131.08572	30.7
131.09523	2.2
133.06509	1.8
133.10135	42.4
135.08031	6.5
135.11693	17.8
137.09624	4.9
137.13248	1.5
139.11162	1.9
141.07001	1.7
142.07750	3.0
143.08575	10.4
145.06590	1.9
145.10132	26.9
146.10684	1.4
147.08099	3.2
147.11690	45.6
149.09624	7.7
149.13264	11.4
151.11209	2.1
155.08574	4.2
157.10156	13.7
159.08066	1.9
159.11697	24.2
161.09619	4.7
161.13263	25.7
163.11151	5.7
163.14835	3.9
165.12802	4.5
167.08601	1.4
167.10672	2.0
169.10106	6.0
171.11720	13.9
173.09622	2.5
173.11888	2.4
173.13257	13.9
175.11226	4.0
175.14819	14.0
177.12764	5.1
181.10126	2.2
181.12111	1.3
183.11708	6.9
185.13235	10.9
187.14848	4.2
189.11230	1.8
191.14276	1.4
193.10184	1.4
193.12224	2.8
195.11758	2.3
197.13306	4.4
199.14825	6.6
201.12715	1.7
201.16414	2.8
203.14235	1.4
209.13326	2.3
211.14821	2.4
213.16415	3.8
215.17955	3.3
221.13271	1.7
229.19479	2.3
231.21088	4.3
235.16919	1.8
239.17920	4.2
241.19518	20.3
243.21133	2.4
247.20663	2.2
257.18964	9.6
259.20578	46.2
263.20126	1.3
269.17340	1.9
273.18594	4.3
273.22128	1.1
275.20059	45.2
277.21695	4.7
291.19586	1.5
292.27850	1.3
293.21207	8.6
297.22501	1.6
315.23163	4.1
333.24246	40.0
334.24512	1.4
335.25723	4.2
349.23611	7.8
351.25122	3.9
365.23688	1.7
367.24792	24.7
368.24536	1.3
380.75696	1.3
513.35382	1.9
515.37939	6.3
527.37524	1.7
533.39734	3.9
537.69122	1.2
545.38409	2.6
551.40826	5.2
555.37555	1.2
569.42450	1.3
607.43604	8.6
625.44659	21.9
643.45441	9.4
644.21857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01867	11.1
55.05509	29.8
57.03434	12.0
57.07066	3.8
59.04979	1.7
65.03941	4.1
67.05500	77.9
69.03420	3.6
69.07066	31.4
71.04980	4.0
71.08602	2.3
74.99584	1.6
79.05489	61.8
80.05789	2.2
81.03414	3.7
81.07053	100.0
82.07359	2.1
83.04960	10.3
83.08614	18.3
85.06524	3.9
91.05475	58.7
92.05810	3.4
93.07040	69.7
95.04974	17.4
95.08605	52.2
97.06538	12.4
97.10147	5.9
99.08082	4.7
105.07023	59.5
107.04944	11.5
107.08588	38.5
109.06487	11.7
109.10154	24.1
111.08075	7.3
115.05437	2.7
116.83115	1.5
117.07007	17.4
119.08578	46.0
121.06515	4.9
121.10135	27.1
121.83054	1.5
123.08080	8.5
123.11718	10.3
125.09595	6.7
128.06247	2.6
129.05473	2.4
129.07022	13.5
131.08572	30.1
133.06473	3.3
133.10120	37.5
135.08038	6.8
135.11671	21.4
137.09576	6.0
139.11151	3.2
141.06953	3.4
143.08559	12.4
144.09349	1.9
145.10121	34.9
146.31494	1.9
147.08038	5.2
147.11685	34.9
149.09593	11.0
149.13264	12.5
151.11165	5.1
155.08530	4.0
157.10110	14.6
159.11693	23.0
161.09624	3.5
161.13249	27.2
163.11221	10.6
163.14828	3.7
164.80008	1.5
165.12730	5.2
167.08606	2.0
169.10118	6.6
171.10376	2.7
171.11653	14.8
173.09561	3.4
173.13229	12.3
175.11160	4.9
175.14798	10.6
177.12743	3.9
179.14305	3.4
181.10068	2.0
181.12282	2.1
183.11659	6.0
185.13283	13.3
187.11195	2.4
187.14812	6.2
189.12682	2.5
189.80301	1.6
191.14230	1.9
193.12152	2.1
195.11693	3.5
197.13213	4.5
199.14833	7.6
201.16347	4.0
203.17973	1.8
209.13310	2.7
211.14828	5.0
211.16872	1.9
213.16382	3.4
215.17937	3.0
217.19527	1.6
227.20006	2.5
229.19492	3.3
231.21129	3.8
235.14957	1.7
235.17003	2.2
237.16321	2.4
239.17944	4.6
241.19524	20.2
243.21010	2.8
245.19109	2.7
257.18994	7.0
259.20547	30.5
261.22241	3.8
263.20102	4.8
267.16083	2.3
269.17490	3.0
273.18591	8.9
275.20041	39.2
276.20456	3.1
276.39175	1.6
277.21448	5.1
289.21469	5.5
291.19556	8.4
293.20944	4.6
314.69522	1.7
315.23108	3.8
331.22668	2.0
333.24246	34.3
335.25986	9.6
337.23682	3.8
347.22260	2.4
349.23651	10.1
351.25214	5.7
363.25064	1.9
365.23245	4.3
367.24759	11.5
425.15961	2.4
439.13461	2.1
441.18964	4.6
442.19577	2.2
453.15482	2.1
468.17865	2.1
469.18719	6.4
481.15054	3.1
487.34103	3.5
496.17429	4.0
497.17947	1.9
497.36478	2.3
501.35635	2.0
513.35944	2.6
515.38519	3.0
527.37067	3.5
533.39819	3.9
545.38129	6.3
551.40674	3.2
555.22253	4.1
567.40332	2.7
583.21832	30.5
584.21918	7.4
607.43823	10.7
625.44507	32.3
643.24231	15.0
643.46246	12.6
644.23846	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79034	0.9
53.03935	3.3
55.01869	9.8
55.05255	1.5
55.05507	17.5
57.03435	27.6
57.07072	1.7
57.46991	1.2
65.03935	6.5
67.05502	73.7
69.03413	2.8
69.07070	15.5
69.66324	6.7
71.04990	2.6
74.07179	1.2
79.05490	49.5
81.03423	1.6
81.07055	51.8
83.04969	2.9
83.08614	7.7
85.06535	13.7
88.77870	1.0
91.05480	34.0
93.07041	47.5
95.04966	55.8
95.08597	33.5
97.06538	7.3
97.10130	1.9
98.20698	1.2
103.05471	1.4
105.04543	1.3
105.07025	26.0
107.04958	9.6
107.08590	29.0
109.06511	66.6
109.10149	11.8
111.08083	2.4
113.06002	34.3
115.05463	1.8
116.06210	1.1
117.07011	15.3
119.04946	1.0
119.08569	16.2
121.06534	5.8
121.07253	0.9
121.10129	14.6
123.08055	4.7
123.11697	2.9
125.09606	2.2
128.06232	2.5
129.07039	7.2
131.08553	18.2
133.06483	3.6
133.10124	12.6
135.08047	49.5
135.11673	11.0
137.09598	1.2
142.07733	2.0
143.08574	9.3
145.06403	1.8
145.10117	13.3
147.07967	5.0
147.11641	5.6
149.09676	6.5
149.13269	3.5
155.08516	1.9
157.10127	6.4
159.08067	1.4
159.11664	7.9
161.09639	6.6
161.13301	3.5
163.11162	3.1
163.14716	1.3
169.10123	2.4
171.11674	4.6
173.09679	1.6
173.13193	5.1
175.11200	2.3
175.14772	1.2
177.12749	4.1
180.74144	1.2
181.10144	1.2
183.11665	2.4
185.13292	3.1
187.11223	1.1
187.14774	1.7
189.16344	2.5
195.11850	1.1
195.13849	2.9
199.11121	1.7
199.14803	3.4
201.12695	1.9
217.15875	16.4
224.11873	1.1
227.18002	1.8
233.15344	2.3
237.16434	1.9
245.19009	1.9
255.17493	2.8
261.22055	2.1
273.18481	38.4
274.18973	1.3
288.48257	1.1
291.19522	100.0
309.20392	1.5
335.25781	84.2
347.22076	7.1
365.23178	10.3
590.69983	1.1
607.43945	6.2
625.44543	26.3
626.44537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03943	4.1
55.01871	9.6
55.05269	1.3
55.05513	21.0
57.03438	26.5
57.07061	3.1
59.83219	0.7
61.55725	0.8
65.03936	6.2
67.05506	83.8
69.03441	1.8
69.07069	16.5
69.37241	8.6
71.04994	4.1
71.08633	1.1
79.05495	55.1
81.03417	3.1
81.07056	60.5
83.04995	3.9
83.08620	8.0
85.06541	13.6
91.05482	41.0
93.07043	50.1
95.04970	55.3
95.08607	35.2
95.09052	0.5
97.06518	7.1
97.10178	3.0
98.21627	0.9
99.08100	1.2
103.05457	2.1
105.04507	1.2
105.07035	28.6
107.04960	10.3
107.08591	29.3
109.06517	66.6
109.10162	12.6
111.04478	0.9
111.08070	3.3
113.06010	40.0
115.05436	1.6
116.06223	1.6
117.07017	16.8
119.06141	1.0
119.08583	17.7
121.06506	5.1
121.10146	15.4
123.08071	6.0
123.11676	2.6
125.09623	1.4
128.06201	3.0
129.07011	8.0
130.07785	0.8
131.04858	1.0
131.08572	21.5
133.06477	3.7
133.10136	12.8
135.08055	49.0
135.11685	12.1
137.06039	1.3
137.09605	2.5
141.06970	1.0
141.09111	1.0
142.07761	1.3
143.08559	8.5
145.06519	1.8
145.10123	14.5
147.08067	5.9
147.11664	6.0
149.09619	6.3
149.13272	5.9
151.11148	1.4
155.08554	1.7
157.10156	6.8
159.08073	3.1
159.11679	8.1
161.09607	8.9
161.13251	4.3
163.11183	4.1
165.09195	1.8
165.12761	1.4
169.10135	2.4
171.11687	5.1
173.09636	1.2
173.13264	4.8
175.11154	3.0
175.14723	1.0
177.12737	4.0
179.14331	1.0
182.95195	0.8
183.11636	2.0
185.09633	0.9
185.13239	2.9
187.11171	1.8
187.14769	2.1
189.12643	1.3
191.10553	0.9
195.11821	1.4
195.13844	2.5
199.11267	1.2
199.14821	3.9
201.12697	2.7
209.13187	1.4
213.16415	1.0
217.15872	15.3
219.13840	1.8
227.17958	2.3
229.37308	0.8
233.15340	2.2
237.16429	1.7
243.21280	1.1
245.18990	2.0
255.17384	3.1
257.18958	1.1
259.20657	1.3
261.22116	1.8
273.18497	35.2
275.20114	2.1
279.15945	0.9
291.19547	100.0
309.20508	1.9
317.24579	1.1
335.25797	78.8
347.22171	8.0
365.23270	10.5
460.60873	1.0
545.38501	0.9
567.40295	1.1
607.43616	6.8
625.44666	29.8
643.45361	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	643.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.0
57.03423	1.4
57.07068	3.0
60.21193	1.2
61.54710	1.3
67.05506	2.2
69.07070	1.3
69.31905	5.3
69.32327	6.5
71.08614	1.3
74.23034	1.0
81.07059	1.1
83.08604	1.2
93.07028	1.2
224.81688	1.3
246.39114	1.3
253.68826	1.4
331.18933	9.0
333.20313	2.0
387.21481	4.8
389.23160	1.2
596.47198	1.1
643.45422	100.0
644.45868	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06477	0.7
53.03934	3.1
55.01871	9.8
55.05268	1.0
55.05511	14.6
57.03438	23.5
57.07058	2.3
63.23230	0.7
63.71084	0.7
65.03940	4.5
67.05505	62.8
69.03417	2.8
69.03768	0.7
69.06721	1.1
69.07064	12.4
69.37222	6.9
69.37613	1.4
71.04991	3.0
71.08630	1.0
77.03958	0.7
79.05495	41.2
81.03405	2.5
81.07058	41.9
83.04977	3.7
83.08615	4.6
85.06541	14.0
89.06007	0.7
91.04624	0.7
91.05483	33.5
93.07043	40.4
95.01311	1.1
95.04969	52.5
95.08604	29.1
97.06528	5.9
97.10172	2.9
99.04487	0.8
99.08088	1.4
103.05482	1.0
105.06311	1.4
105.07026	26.2
106.07331	0.9
107.04959	8.1
107.08594	24.1
109.06516	65.8
109.10165	8.9
110.06802	0.7
111.04446	1.1
111.08079	2.8
113.06004	31.8
113.09644	0.9
115.05450	2.1
116.06204	2.2
117.07015	12.6
119.08585	14.4
121.06497	4.9
121.10146	10.6
121.18603	0.7
123.08067	4.2
123.11723	2.4
125.05943	0.9
125.09693	1.3
128.06207	2.3
129.06995	5.9
130.07791	1.2
131.08566	20.4
133.06523	3.9
133.08633	0.8
133.10136	10.2
135.08052	47.9
135.11687	8.9
137.05972	1.1
137.09589	1.4
141.06981	1.1
142.07788	1.5
143.08562	9.0
145.06473	1.4
145.10118	14.5
145.11157	1.4
147.08061	5.4
147.11697	4.6
149.09634	5.0
149.13257	4.2
155.08549	1.7
157.10120	6.8
159.08083	2.3
159.11703	8.1
161.09587	7.8
161.13266	3.3
163.11166	4.0
163.14746	0.7
169.10135	2.1
171.11697	4.6
173.09511	1.6
173.13293	3.9
175.11189	2.6
175.14832	1.1
177.11363	0.8
177.12691	3.6
179.14322	1.4
183.11713	2.4
185.09480	1.1
185.13281	2.9
185.56242	0.8
187.11208	1.2
187.14818	1.5
189.12808	1.3
189.16351	1.2
195.11761	1.6
195.13782	2.8
197.13318	0.9
199.11220	1.8
199.14836	4.1
201.12703	3.0
201.16727	0.9
204.23012	0.8
205.12228	0.9
205.15878	0.9
209.13208	0.9
217.15868	16.2
217.57326	0.8
219.13771	1.0
227.17928	1.8
231.17319	1.0
233.15326	1.4
237.16373	1.1
245.19101	2.9
255.17421	3.0
259.71396	0.8
261.22195	1.5
273.18478	37.2
274.18774	0.9
275.20032	2.4
277.21866	0.9
291.19537	100.0
292.19785	1.4
309.20578	1.6
333.23993	1.2
335.25800	36.0
336.26074	1.7
347.21994	4.8
349.23596	1.0
365.23184	9.8
465.72568	0.8
607.43549	4.1
625.44635	26.1
643.44757	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	643.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80941	1.3
55.01865	1.9
55.05506	3.4
67.05501	9.5
69.07065	4.0
79.05490	6.6
81.03384	1.4
81.07033	9.2
82.07320	1.4
83.04969	1.4
83.08572	1.4
91.05495	6.9
93.07041	10.0
95.04963	3.1
95.08603	6.4
97.06503	1.5
105.06997	6.2
107.08593	5.8
108.66100	1.6
109.06441	1.6
109.10132	4.0
117.07041	2.2
119.08588	3.8
121.10162	2.9
124.27541	1.2
131.08539	3.2
133.10172	2.7
135.11670	2.5
143.77238	1.4
145.10066	1.6
151.11212	1.6
159.11769	1.5
160.75204	1.3
164.07852	1.3
229.53574	1.3
256.40121	1.3
263.68130	1.3
271.29538	1.3
273.18561	1.9
275.20099	2.5
277.21597	2.2
291.19601	4.3
293.21011	1.3
321.18445	1.3
335.25909	3.6
349.23715	1.8
365.23300	1.9
430.13837	1.5
519.61877	1.5
625.44409	3.6
643.25275	100.0
644.25439	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28481	0.6
55.05508	1.5
57.07013	0.7
67.05508	2.1
69.07055	1.5
71.35998	1.4
79.05505	2.6
81.07028	3.4
91.05486	1.5
93.07057	2.2
95.08619	2.2
105.07024	1.8
107.08589	0.9
109.10169	1.2
117.07005	0.8
119.08559	1.2
121.10158	1.6
131.08446	0.7
133.10147	1.4
135.11679	0.8
135.48909	0.9
145.10040	1.1
147.11661	0.9
159.11694	0.7
175.77556	0.7
275.20197	0.9
277.21637	1.0
398.47314	0.8
429.63724	0.8
625.44489	1.0
643.25226	100.0
644.25085	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	643.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01832	0.6
55.05459	1.0
57.03402	0.2
57.07038	0.3
62.63037	0.2
67.05504	2.8
69.03376	0.2
69.07059	1.2
70.73799	0.2
70.74152	0.6
71.04931	0.3
79.05486	2.3
81.07049	3.0
83.04933	0.3
83.08564	0.5
91.05473	2.1
93.07043	2.4
95.04918	0.7
95.08604	1.9
97.06474	0.5
97.10143	0.4
99.08065	0.3
105.06400	0.2
105.07027	2.1
107.04897	0.3
107.08576	1.4
109.06500	0.4
109.10168	1.0
111.08050	0.3
117.06938	0.6
119.08584	1.9
121.10161	0.9
123.08040	0.3
123.11645	0.3
125.09563	0.7
127.75853	0.2
129.06944	0.5
131.08496	0.8
133.10135	1.3
135.08025	0.2
135.11610	0.5
141.06873	0.2
143.08501	0.4
145.10069	0.7
147.11633	0.7
149.09528	0.4
149.13190	0.3
151.11127	0.3
157.10109	0.3
159.11620	0.7
161.13223	0.7
163.11087	0.2
169.09972	0.2
171.11600	0.5
173.13210	0.5
175.11105	0.2
175.14789	0.2
185.13185	0.3
199.14722	0.2
241.19481	0.3
259.20544	0.6
275.20065	0.9
276.19885	0.2
285.70758	0.2
291.19489	0.5
292.19608	0.3
298.32315	0.2
333.24210	0.8
335.25543	0.4
349.23700	0.3
365.23199	0.3
365.28052	0.2
367.24704	0.5
395.11169	0.3
396.12186	1.4
397.12964	2.4
398.13672	1.1
399.14413	0.7
409.13229	0.8
410.13693	3.2
411.14545	6.5
412.15240	3.9
413.16040	3.1
422.13983	0.3
423.09702	0.3
423.15182	1.3
424.11118	1.4
424.16272	2.6
425.16254	13.1
426.16867	9.2
427.17554	2.3
428.18701	1.5
435.14450	0.2
436.15115	0.5
437.11484	0.4
437.16211	1.0
438.12244	3.3
438.17661	0.9
439.13525	15.8
440.13757	1.3
440.19211	4.9
441.19275	37.5
442.19687	3.6
444.18243	0.4
451.13257	0.4
451.18591	0.4
452.14328	3.9
453.15277	18.0
454.16049	5.6
455.16495	0.4
455.21329	0.4
456.18402	0.4
457.14331	0.9
458.15536	0.5
459.20264	0.5
463.13943	1.1
464.15198	0.3
465.15396	0.8
466.11877	0.4
466.17392	0.5
467.17117	26.2
468.17877	16.9
468.25549	0.3
468.27365	0.3
469.18793	12.5
470.18695	0.9
471.16367	1.1
472.17529	0.9
478.16565	0.3
479.16718	0.4
480.17706	0.9
481.14740	14.0
482.15305	3.5
483.16183	0.4
484.17853	0.3
485.18533	1.3
486.18912	0.6
487.19821	0.4
494.17734	0.7
495.15771	2.8
496.17114	14.0
497.17847	2.8
498.18854	0.6
499.20737	1.1
500.16269	0.2
500.20428	0.3
508.19281	0.8
509.18301	2.4
510.19992	0.4
511.19809	0.3
512.21069	1.1
513.20941	0.6
514.22919	2.6
515.21564	0.3
522.17682	0.5
523.19507	1.5
524.20337	0.5
527.23676	2.6
528.23364	0.6
537.19226	0.8
539.19727	0.4
540.20038	0.7
541.20282	0.4
542.21399	0.9
545.23920	0.7
545.38708	0.2
551.19531	0.5
555.22382	33.2
556.22815	2.6
557.24615	0.2
568.19208	0.8
573.23737	0.3
583.21881	100.0
584.22131	8.8
586.20544	0.6
587.25085	2.4
607.43451	0.4
611.21307	1.7
614.23932	0.9
615.24469	13.0
616.24927	1.1
625.44312	0.9
643.23889	62.6
644.24146	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	643.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93684	0.1
53.03941	0.1
55.01864	0.1
57.03415	0.1
60.05643	0.2
65.03925	0.3
68.99773	0.2
69.03430	0.8
69.38905	0.9
72.38408	0.1
73.04018	0.1
81.03407	1.0
81.10185	0.1
83.02491	0.2
85.02922	1.0
87.00829	0.2
87.06721	3.8
91.05484	6.4
97.02909	0.9
99.04446	0.2
109.02879	1.1
111.04420	0.1
113.04620	0.3
123.04427	0.2
125.04578	0.3
126.03030	0.3
127.03931	1.3
129.01898	0.2
138.05429	0.1
141.01849	0.2
141.04054	0.9
142.04868	0.7
143.05647	100.0
145.02887	0.1
145.04987	0.4
147.04410	0.2
149.05943	0.1
155.05649	0.2
161.05772	0.1
177.05550	0.2
181.04984	0.1
185.06673	0.5
195.02950	0.1
207.06604	0.2
213.03983	0.2
231.55690	0.1
233.06726	0.2
233.10385	1.6
233.82860	0.1
305.10947	1.9
332.13705	0.1
357.66953	0.1
373.09924	1.9
391.10892	0.2
424.14413	0.1
433.11996	0.4
463.11060	0.2
481.12164	0.2
499.13144	1.9
510.70749	0.1
517.14172	1.2
535.15222	3.2
625.19739	0.2
643.20862	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	642.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10088	0.5
53.03938	1.2
55.01857	1.6
55.05513	5.6
57.03424	2.0
57.07044	0.5
61.02918	1.1
65.03937	0.7
67.05179	0.9
67.05507	14.4
68.05823	0.6
69.03423	0.8
69.07068	5.0
70.67380	1.0
71.04980	1.9
73.02911	0.8
79.05058	0.7
79.05493	11.1
80.02867	0.5
80.05816	0.6
81.03404	1.5
81.07058	14.6
83.04965	1.8
83.08624	2.9
85.02888	2.0
85.06521	0.7
91.03948	0.7
91.05484	15.0
92.05861	0.5
93.06461	1.0
93.07039	12.6
94.07353	0.6
95.04984	2.8
95.08046	0.7
95.08610	9.8
97.02907	1.1
97.06532	2.2
97.10145	1.8
103.05476	0.5
105.07027	13.7
106.07343	0.6
107.04946	2.0
107.08596	7.0
109.06498	1.9
109.10152	4.4
111.08062	0.8
115.05448	0.8
117.07026	7.3
118.06538	0.5
119.08582	9.2
121.06517	1.1
121.10153	5.0
123.08089	1.1
123.11762	0.5
125.09582	0.5
128.06244	0.9
128.59274	0.4
129.07011	5.8
131.08560	11.3
132.08850	0.4
133.06483	1.2
133.10136	5.4
135.08105	1.1
135.11700	2.7
137.09521	0.5
139.11069	0.5
141.07010	1.6
143.08560	4.7
144.09148	0.5
145.10123	7.0
147.08061	1.3
147.11707	2.6
148.12053	0.5
149.09602	2.0
149.13249	0.8
155.08536	3.4
156.09254	0.5
157.10161	3.9
159.07999	0.6
159.11702	3.1
161.09619	0.8
161.13237	0.6
163.11163	0.9
167.08551	1.2
169.10147	2.9
171.08083	0.5
171.11705	3.4
173.13307	1.3
175.11208	0.8
181.10086	1.1
183.11644	2.4
185.09633	0.5
185.13324	1.2
187.11203	0.6
187.14876	1.3
195.11688	1.0
197.13231	1.9
199.14851	1.2
201.12846	0.6
209.13258	1.1
211.14836	1.5
213.16318	0.7
223.14922	0.5
225.16389	0.5
247.16995	0.8
259.16959	0.8
275.20108	3.4
276.20441	1.9
292.19107	0.7
322.97031	0.5
335.23871	0.7
340.40613	0.5
343.26248	1.2
349.23828	1.2
353.24808	3.8
371.25781	5.4
389.26855	4.3
427.28265	1.0
430.05811	0.5
445.29501	100.0
446.29861	2.4
463.30554	20.8
464.30740	0.5
474.45044	0.5
624.42432	1.3
642.44342	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	642.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50127	0.6
53.03936	1.6
55.01858	2.1
55.05262	0.7
55.05513	9.3
57.03435	1.7
57.07055	0.9
61.02918	3.2
61.44269	0.6
65.03939	0.9
66.95580	0.6
67.05504	19.7
69.03422	1.5
69.07070	6.9
70.07394	0.6
70.73985	1.0
70.74310	0.7
71.04971	2.2
79.05489	18.9
80.05814	0.9
81.03400	2.1
81.06575	1.0
81.07055	21.5
82.07365	1.2
83.04971	2.0
83.08614	3.6
85.02887	2.5
85.06522	0.6
91.03973	0.6
91.05477	21.3
93.07040	16.7
94.07364	0.9
95.04981	4.1
95.08605	11.5
97.02862	0.9
97.06544	3.1
97.10165	2.5
103.05448	0.8
105.07025	22.6
106.07387	1.0
107.04974	3.7
107.08582	10.4
108.08887	0.8
109.06510	3.4
109.10144	5.6
111.04398	0.7
111.08062	1.3
113.75063	0.6
115.05460	1.3
117.07014	9.5
119.07787	1.2
119.08578	15.2
121.06503	1.7
121.10131	5.8
123.04464	0.7
123.08083	1.5
123.11740	0.8
125.09598	1.5
128.06233	1.6
129.07008	7.4
131.08563	17.0
133.06491	1.2
133.10136	9.7
134.10429	0.8
135.08051	2.2
135.11690	2.7
137.09662	1.0
141.06992	2.0
142.07776	1.3
143.08546	6.5
145.06554	0.9
145.10124	11.8
147.08017	1.5
147.11688	2.9
148.12021	0.7
149.09604	2.6
149.13272	1.0
151.11220	0.8
154.13460	0.6
154.61644	0.6
155.08527	4.2
157.10104	5.3
159.08038	1.2
159.11705	4.5
161.09685	1.3
161.13255	1.6
163.11220	1.2
167.08557	1.4
169.10121	3.7
171.08041	0.7
171.11707	3.9
173.13252	2.1
175.11266	1.3
175.14821	0.8
177.12691	0.6
178.49861	0.6
179.08585	0.5
181.10130	1.9
183.11769	2.1
185.13246	2.4
187.11119	1.1
187.14856	2.0
195.11658	1.4
197.13245	2.0
199.14861	1.5
201.12770	0.8
209.13306	1.7
211.14838	1.6
227.18004	0.7
229.13986	0.6
233.15392	0.9
237.16576	0.8
241.15962	0.6
247.16956	1.6
261.18518	0.6
273.18420	1.0
275.20111	4.7
276.20401	2.5
325.25189	1.3
335.23709	2.3
343.26398	1.6
349.23813	1.4
350.24112	1.6
353.24585	4.5
371.25870	6.0
389.26910	6.7
427.28168	0.6
445.29486	100.0
446.29849	3.6
451.91699	0.6
463.30511	28.2
464.30603	0.8
544.37268	0.6
553.31390	0.6
624.43311	2.0
642.29749	0.7
642.44440	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	642.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.4
55.01861	5.6
55.05503	3.9
56.13291	1.6
56.40919	1.3
56.96567	1.3
57.03442	14.7
61.02917	5.5
61.84336	1.9
65.03938	3.9
67.05499	5.1
68.99778	3.2
69.03430	59.9
69.07070	3.5
70.06595	3.3
71.04980	3.8
71.60015	2.2
73.02913	7.5
79.05482	3.4
81.03415	31.8
81.07048	5.6
83.04974	8.0
83.08624	1.6
83.60795	1.4
85.02903	68.7
86.09706	1.7
87.00830	28.8
87.04468	9.0
91.05481	100.0
93.07039	5.7
95.04951	5.2
95.08610	4.2
97.02890	72.4
97.06523	1.8
99.04467	15.9
101.02377	2.2
103.03951	3.7
103.05415	2.2
105.01869	34.9
105.07012	5.1
107.04929	2.5
107.08575	4.2
109.02877	26.8
109.10139	3.5
110.06054	2.6
111.04429	6.0
115.03926	18.6
116.77921	1.6
117.01862	2.4
117.05411	2.1
117.07004	1.8
119.04944	6.9
119.08595	2.4
121.06506	2.4
121.10114	3.4
123.04375	3.2
123.08092	1.8
123.11719	2.0
125.02348	2.2
127.03915	49.7
129.01788	4.1
129.05531	2.3
131.04921	3.5
131.08534	1.8
133.04970	6.4
133.06511	2.7
133.10095	2.5
135.04414	3.4
137.02342	2.8
137.05946	6.5
138.05486	4.8
139.03896	6.7
143.05649	21.1
144.06007	2.2
145.02911	4.1
145.04953	26.5
145.06180	2.4
147.04401	5.0
147.11656	2.5
149.05977	4.7
151.03867	3.2
153.01941	1.8
159.02896	11.0
161.05968	5.0
163.03894	4.6
167.03365	6.0
167.07115	7.6
173.85110	1.6
175.03918	5.4
177.05461	16.6
179.03329	3.9
181.04979	4.0
189.03941	2.8
191.03392	2.7
193.04886	2.7
201.03940	2.4
203.03395	1.9
205.04938	4.7
207.06517	11.5
213.03946	4.4
223.05986	4.1
231.04980	10.5
233.04391	2.9
241.07054	6.7
245.04317	3.6
249.06108	2.5
251.06963	2.8
263.05350	2.0
269.08060	10.5
271.05948	2.9
272.06555	1.7
273.06210	1.6
287.05542	15.9
288.05911	6.2
293.08066	4.5
311.09146	6.6
327.06979	10.0
335.09012	10.0
345.08136	12.0
353.10068	7.7
363.09390	2.7
421.21005	2.1
439.10220	5.5
457.11154	5.2
474.90405	1.6
489.69559	1.7
642.23523	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	641.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01868	16.5
55.05264	2.7
55.05512	38.3
57.03436	13.3
57.07066	3.8
62.67755	1.3
65.03934	5.4
67.05504	95.0
69.03423	3.8
69.07066	43.0
70.44894	4.9
71.04990	6.2
71.08635	1.5
73.06559	1.4
77.03929	2.2
79.05491	72.0
80.38223	1.3
81.03432	6.8
81.07056	100.0
83.04964	10.4
83.08613	18.4
85.06532	5.1
91.05479	69.9
91.42470	1.1
93.07043	70.7
95.01302	1.7
95.04967	18.1
95.08605	66.9
96.08879	1.2
97.06529	25.0
97.10171	11.3
98.20812	1.9
99.08096	3.5
103.05473	2.7
105.07028	68.3
106.07332	2.0
107.04961	10.6
107.07864	2.5
107.08591	49.6
109.06519	13.0
109.10157	33.0
111.08078	7.0
113.06034	1.6
115.05456	2.1
117.07012	26.2
119.08583	56.2
121.06519	5.3
121.10139	31.5
123.08083	8.9
123.11687	11.2
125.09628	10.6
128.06215	2.7
129.07008	14.4
130.07780	1.5
131.08562	34.9
133.06477	2.8
133.09113	2.3
133.10133	42.7
135.08044	9.9
135.11702	17.9
137.09608	8.1
137.13235	2.2
139.11165	2.0
140.65463	1.4
141.07010	5.4
142.07813	3.6
143.08545	14.9
144.09293	1.5
145.06496	3.4
145.10123	30.5
147.08055	2.6
147.11676	26.6
147.12772	1.8
149.09590	11.8
149.13252	8.6
151.11128	7.8
155.08536	8.5
157.10132	13.5
159.08101	3.7
159.11684	22.9
161.09583	3.5
161.13260	9.8
163.11180	8.6
163.14812	3.6
165.07066	1.7
165.12807	5.6
167.08594	2.5
169.10109	9.8
171.11685	13.7
173.13254	13.3
175.11201	2.2
175.14832	5.0
177.12753	4.1
179.14330	3.0
181.10130	4.5
183.11711	8.0
185.13264	8.3
187.11078	2.1
187.14825	5.9
189.11234	1.4
189.12878	1.9
189.16364	2.0
191.14339	1.6
191.82729	1.5
195.11819	2.1
197.13332	7.1
197.15067	1.7
199.14850	5.1
201.12926	1.7
201.16368	3.2
203.18071	1.9
209.13260	3.6
211.14815	3.8
213.16385	4.7
215.17958	3.0
223.14960	1.8
227.12833	3.8
227.17920	2.8
229.19539	2.7
235.14769	1.9
239.17998	5.3
241.19565	2.5
247.20587	4.7
251.20139	1.6
257.19086	9.9
259.20590	4.8
261.22134	2.4
265.21490	1.6
273.18484	2.1
275.20056	51.9
277.21829	1.5
279.23465	1.6
289.18219	3.2
289.21646	10.8
291.19556	5.0
307.22702	4.8
315.23492	1.5
315.93759	1.3
329.24857	1.7
333.24231	4.0
335.25827	36.7
349.23615	12.6
363.25421	6.2
365.23087	1.7
392.95731	1.4
409.31003	1.5
431.31708	5.9
495.24002	5.8
517.39978	2.3
535.41711	2.0
543.38501	1.4
549.42932	3.3
560.46118	1.4
581.27551	18.0
582.28180	3.0
605.41638	1.7
609.44641	2.9
623.42999	14.4
641.30164	9.0
641.47711	22.4
642.30286	1.7
669.79901	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02187	1.5
51.70830	1.4
53.03939	5.7
54.29705	1.4
55.01629	2.0
55.01877	29.5
55.05510	37.8
57.03438	10.9
57.07073	4.3
60.44607	1.5
62.09727	1.4
65.03930	3.5
67.05505	77.0
67.50478	1.4
69.03422	5.8
69.07066	40.5
70.86103	4.0
71.04984	5.9
76.63655	1.4
77.03897	1.9
78.80515	1.4
79.05494	64.9
81.03419	6.5
81.07057	75.1
83.04987	10.0
83.08627	16.9
85.06561	6.7
91.05482	68.6
93.07044	56.4
95.01320	2.9
95.04961	18.8
95.08602	45.0
97.06525	42.1
97.10152	8.9
98.49362	1.4
99.08090	4.5
105.04507	2.4
105.07030	69.1
107.04955	20.1
107.08599	41.4
109.06503	15.8
109.10152	25.4
111.08081	5.6
113.05989	3.8
115.05492	2.8
115.94128	1.4
116.06234	1.6
117.07014	26.4
118.07349	2.3
119.08578	47.0
121.06483	8.7
121.10147	20.8
122.36290	1.5
123.04416	1.9
123.08071	7.1
123.11706	5.9
125.09627	9.8
128.06163	2.9
129.07048	12.7
130.07800	2.9
131.08565	33.3
133.06516	2.5
133.10132	38.1
135.08029	9.1
135.11676	14.8
137.09619	7.1
139.07544	1.6
139.11150	1.7
141.06976	4.6
142.07719	2.5
143.08571	14.8
145.06471	2.7
145.10129	28.3
147.08069	4.6
147.11684	24.4
149.09613	23.4
149.13257	5.4
151.11148	5.6
154.07753	1.9
155.08575	10.8
157.10138	12.8
159.08089	4.5
159.11668	19.2
161.09599	3.4
161.13206	10.1
163.11217	13.4
165.09047	3.3
165.12813	1.6
167.08620	4.6
169.10103	11.9
171.11647	12.6
173.09642	5.1
173.11855	2.3
173.13205	11.9
175.11224	3.2
175.14821	3.4
177.12773	4.7
179.14279	9.7
181.10204	5.0
181.12341	2.0
183.11653	12.2
185.13307	6.6
187.11192	6.2
187.14795	4.1
189.11209	5.5
189.12674	3.6
195.11711	5.9
197.13225	8.5
199.14810	3.5
201.12761	2.5
205.10188	1.6
207.11771	3.1
209.13336	4.6
209.15259	2.1
211.14795	3.4
213.16460	2.9
215.14288	1.6
219.13750	2.1
219.17401	7.6
221.13327	2.4
223.14978	2.1
225.16393	3.3
227.12787	11.2
229.19542	4.3
235.14925	2.9
239.17978	5.0
241.19580	1.6
247.20619	4.5
249.16518	1.8
251.18053	2.0
255.17398	2.6
257.18985	16.3
259.20587	4.5
271.17053	2.4
273.18564	6.1
275.20065	100.0
289.18048	4.6
291.19568	8.1
293.21143	7.1
301.21738	1.8
313.21521	3.2
331.22794	4.5
333.24396	1.7
335.25842	2.7
349.23746	41.1
363.21585	2.1
381.27841	2.3
395.29260	2.3
445.29431	2.8
459.32092	1.7
513.36853	3.5
519.33252	2.3
527.37042	2.3
529.35492	2.3
531.38214	2.1
543.36401	3.9
549.39270	4.3
567.40564	2.8
569.38434	3.2
595.43585	1.9
605.41675	4.4
623.33282	3.0
623.43036	44.8
641.44104	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	1.4
50.40432	1.0
51.16318	1.4
53.03942	7.8
55.01873	20.7
55.05510	41.4
57.03427	10.9
57.07082	2.8
59.04984	2.9
65.03945	4.5
67.05505	88.4
69.03418	5.6
69.07065	42.9
71.04983	5.9
77.03898	1.4
79.05493	69.7
81.03410	6.0
81.07056	100.0
83.04979	7.9
83.08620	19.4
85.06530	5.3
91.05480	74.4
93.07040	65.3
93.07635	3.2
95.01306	1.4
95.04967	14.6
95.08604	64.4
95.51025	1.2
97.06526	29.5
97.10174	15.4
99.04379	1.5
99.08074	3.2
103.05434	2.6
105.04515	1.7
105.07032	69.9
107.04973	13.5
107.08595	42.8
109.06487	11.2
109.09456	2.3
109.10163	27.7
111.04461	1.7
111.08060	5.4
113.09636	1.5
115.05460	2.0
117.07016	25.2
119.08581	54.5
121.06490	4.4
121.10138	25.5
123.08080	8.0
123.11712	9.8
125.09615	13.3
128.06198	3.8
129.06999	14.5
131.08566	34.4
133.06516	3.2
133.10136	42.7
135.08109	8.6
135.11682	16.4
137.09586	6.6
137.13222	2.3
139.11174	1.7
141.06956	6.4
142.07751	3.0
143.08568	17.0
145.06516	1.6
145.09052	2.2
145.10126	30.4
147.08073	3.3
147.11691	29.9
149.09610	12.5
149.13237	8.6
151.11163	4.3
153.09174	1.5
153.12753	1.9
155.08554	8.7
156.09300	1.4
157.10143	14.9
159.07983	2.6
159.11688	20.3
161.09576	2.8
161.13249	13.4
163.11192	9.3
163.14867	2.3
165.09181	2.0
165.12764	6.3
167.08522	3.0
169.10081	7.9
171.10368	2.2
171.11703	12.1
173.13240	12.6
175.11194	3.5
175.14825	4.9
177.12732	4.9
179.10596	1.6
179.14304	5.2
181.10156	4.5
183.11708	8.7
185.09578	2.0
185.13213	11.4
187.11232	3.9
187.14856	6.0
189.11186	4.6
189.12726	2.6
189.16341	1.8
191.14319	2.5
193.10295	2.1
195.11731	6.1
197.13258	5.7
198.41386	1.3
199.14784	5.5
201.12691	1.8
201.16400	2.7
205.12370	1.6
207.13786	1.7
209.13307	2.0
211.14851	5.7
213.16386	4.5
215.14313	1.8
215.17996	1.8
219.17319	2.2
221.13373	1.5
223.14966	3.0
225.16367	2.7
227.12744	6.8
227.18028	1.8
229.19475	3.8
230.19612	1.5
231.17570	2.1
233.15369	2.2
239.17990	4.7
241.19461	5.2
245.18979	1.4
247.20543	3.9
251.18016	1.5
253.14241	1.9
257.18997	10.5
259.20560	5.0
261.18625	2.0
261.22037	1.4
263.20267	1.5
273.18494	3.8
275.20050	63.8
277.21646	2.0
279.23312	2.3
283.20651	1.9
289.18304	2.3
289.21597	6.5
291.19608	14.8
293.21140	3.7
299.23730	2.1
307.22733	4.7
313.21695	2.3
315.23126	1.5
333.24167	5.9
335.25815	22.5
341.24789	1.5
349.23734	18.3
363.25467	3.5
365.23334	5.6
395.29520	1.5
431.31531	4.2
448.18665	1.9
495.24072	10.9
513.37146	2.7
517.39874	2.0
525.35846	1.8
527.37152	1.9
529.34845	2.8
531.37952	3.7
543.37097	3.1
549.42780	2.5
581.27643	24.6
582.28088	3.0
605.42169	2.8
609.44855	2.6
623.43073	26.1
641.29968	18.5
641.46069	22.6
642.29852	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	641.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.6
53.03941	7.4
55.01872	20.4
55.05266	2.7
55.05513	39.3
57.03443	9.5
57.07069	3.5
59.04986	1.7
65.03935	5.4
67.05507	81.3
69.03431	5.2
69.07070	44.5
71.04998	6.6
77.86300	1.5
79.05496	76.7
79.05972	3.6
81.03410	7.4
81.07057	100.0
83.04987	12.6
83.08610	18.1
85.06551	6.2
91.05484	74.3
93.07047	66.3
95.01321	2.8
95.04971	20.7
95.08604	49.7
97.06529	26.2
97.10170	14.9
99.08107	4.5
103.05545	2.0
105.07034	76.0
107.04950	19.5
107.08598	56.8
109.06518	18.3
109.10159	29.6
109.10837	2.8
111.08093	6.9
113.05995	2.1
113.09637	1.4
115.05451	4.9
117.07023	29.4
119.08582	56.5
121.06481	7.7
121.10146	24.7
123.08064	7.5
123.11716	6.5
125.09617	11.8
128.06239	3.7
129.07013	13.6
130.07797	3.0
131.04958	1.7
131.08578	39.2
133.06502	5.3
133.10127	42.3
135.08063	11.9
135.11684	13.9
137.09625	7.0
139.11200	3.1
141.07014	6.9
142.07797	2.7
143.08565	15.5
144.09348	2.8
145.06598	1.8
145.10130	37.2
147.08069	5.1
147.11690	27.9
149.09607	21.4
149.13263	6.8
151.11250	7.7
153.03004	2.0
153.07065	3.1
153.09109	2.2
155.08522	9.2
156.09314	1.9
157.10123	15.0
158.10765	1.8
159.08044	4.0
159.11702	21.5
161.09601	3.7
161.13287	11.3
163.11195	14.5
163.14868	2.1
165.09180	1.9
165.12787	3.6
167.08620	3.1
169.10146	10.5
171.08089	2.0
171.10214	2.5
171.11667	14.2
173.09624	3.1
173.11842	2.3
173.13284	14.1
175.11186	5.9
175.14859	2.5
177.12776	5.4
179.08495	2.3
179.14346	6.2
181.10156	4.2
183.11684	10.7
185.13269	8.9
187.11258	3.3
187.14870	2.8
189.11235	4.7
191.14323	2.4
193.10187	2.8
195.11714	4.2
197.13313	7.7
199.11215	1.8
199.14777	3.6
201.12784	2.5
205.12283	2.9
205.15971	2.9
207.11684	2.7
209.13321	3.0
211.14890	5.0
213.16414	4.0
215.14386	2.9
215.17958	2.2
217.15858	1.6
219.17441	3.0
221.13521	1.9
223.14883	2.0
225.16432	2.0
227.12784	12.4
227.17937	4.5
229.14262	2.3
229.19630	7.4
231.17520	1.7
237.16505	2.0
239.18130	7.4
241.19545	2.5
247.20674	4.7
257.19028	23.1
259.20572	2.2
263.20273	1.8
267.15927	3.0
273.18475	5.6
275.20074	96.3
291.19629	5.7
293.21222	8.9
303.19592	1.9
331.22635	4.2
349.23764	42.0
365.22766	1.6
367.24896	2.5
369.37170	1.7
381.28006	1.7
453.88370	1.8
504.21423	2.9
511.34464	2.7
513.36707	1.6
527.36798	2.0
529.34967	3.6
531.38245	3.8
543.36774	8.6
549.39209	4.7
605.42010	3.4
623.43225	34.7
641.28638	2.5
641.32690	2.5
641.44232	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01873	10.4
55.05508	20.6
57.03435	25.6
57.07055	3.1
59.82860	1.0
61.01593	1.0
61.66200	1.0
65.03941	4.1
67.05505	53.5
69.03414	3.2
69.07066	16.3
70.73994	3.4
70.74374	2.1
71.05003	5.6
71.08624	1.5
79.05492	36.4
81.03410	4.7
81.07056	40.2
83.04971	4.2
83.08619	9.0
85.06552	22.2
91.05482	39.6
93.07043	30.7
93.07626	1.8
95.04361	2.2
95.04967	41.2
95.08607	26.0
97.06527	10.0
97.10170	4.4
99.08076	2.5
103.05438	1.4
105.04520	1.2
105.07030	36.4
107.04961	10.6
107.08594	24.5
109.06521	25.9
109.10156	9.0
111.04449	1.6
111.08073	4.0
113.06009	100.0
115.05454	2.8
117.07027	17.7
119.08576	27.0
121.06516	4.6
121.10135	12.8
123.08086	6.5
123.11716	2.5
125.09632	3.0
128.06229	3.2
129.05458	1.2
129.07005	8.9
130.07806	2.1
131.08575	26.7
133.06467	1.7
133.10126	20.9
134.74083	1.1
135.08047	18.1
135.11693	8.8
137.09624	2.2
141.06947	3.9
141.09096	2.2
142.07768	2.4
143.08566	12.2
145.06468	3.1
145.10112	18.6
147.08031	2.8
147.11703	10.6
149.09633	6.8
149.13248	5.1
151.11201	2.2
155.08574	4.7
157.10104	10.4
158.10796	1.1
159.08018	3.4
159.11691	15.4
161.09625	4.6
161.13240	7.2
163.11195	3.9
163.14755	1.5
165.06985	1.5
165.09125	1.5
167.08543	2.2
169.10103	8.0
171.11659	8.9
173.09641	3.2
173.13239	10.2
175.11221	2.4
175.14813	3.9
177.12727	2.7
179.08516	1.5
179.14261	2.1
181.10114	3.1
183.11725	5.9
185.09569	1.7
185.13245	7.7
187.11217	3.3
187.14841	3.1
189.16449	1.2
193.10225	2.2
195.11697	4.0
195.13548	1.0
197.13266	5.6
199.11241	1.6
199.14835	4.3
201.16354	2.0
203.14412	1.6
207.11708	2.8
207.13609	1.4
209.13293	2.8
211.14819	2.3
213.16415	2.3
215.17978	1.6
217.15836	5.4
221.13274	2.6
223.14764	3.0
225.12695	1.2
225.16452	1.9
226.73764	1.1
227.18015	1.4
229.19646	1.3
235.14825	2.3
236.81668	1.2
237.16400	2.7
239.18059	1.2
241.14290	2.4
241.19516	5.4
251.17961	1.5
255.17410	1.8
257.18982	4.3
259.20578	10.2
273.18518	10.2
275.20038	11.9
279.15884	7.9
289.17880	1.6
291.19528	25.9
293.20920	2.5
313.21799	1.1
315.23187	2.2
327.26892	2.0
331.22562	2.5
333.24301	12.6
335.25986	1.5
347.22122	3.3
349.23657	5.8
359.95331	1.3
365.23129	6.1
421.31180	1.4
437.34195	1.8
459.32175	1.1
511.37735	1.9
513.36279	3.7
529.38977	2.1
531.38159	3.2
543.36792	3.1
549.39124	2.2
551.37024	2.4
567.40082	2.9
569.38324	1.6
595.43872	1.2
605.41919	6.6
623.33374	2.3
623.43097	39.0
641.44189	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.4
53.03941	8.5
55.01876	19.2
55.05515	70.8
57.03435	10.4
57.07072	6.8
65.03928	3.4
67.05507	99.5
69.03429	10.8
69.07071	44.1
70.31785	9.3
70.32143	4.1
71.04987	10.4
71.08635	3.8
79.05496	81.9
81.03417	8.0
81.07059	100.0
83.05005	13.3
83.08615	31.5
85.06538	6.9
91.04909	2.9
91.05482	76.2
93.07047	76.8
95.04970	21.2
95.08611	58.3
97.02870	4.8
97.06538	18.7
97.10172	37.1
99.08074	2.9
101.09596	2.4
103.05449	4.2
105.07032	67.9
107.04946	12.6
107.08599	54.6
109.06508	16.7
109.10151	32.4
111.08105	7.4
113.06057	2.8
115.05446	5.8
117.07018	33.7
119.04986	3.3
119.08582	65.8
121.06504	5.7
121.10158	27.0
123.04469	2.2
123.08070	7.2
123.11746	13.0
125.09634	27.7
128.06244	5.7
129.07013	25.5
131.08569	44.7
133.10132	43.2
135.08049	12.1
135.11690	16.3
137.09601	7.1
139.11191	2.9
141.07011	9.4
142.07817	5.5
143.08565	25.3
144.09367	2.9
145.10136	38.0
147.08073	4.4
147.11690	34.0
149.09610	11.9
149.13251	11.8
151.11188	5.4
153.06993	2.6
153.09123	3.9
154.07813	3.5
155.08525	17.9
156.09332	3.1
157.10143	27.2
159.08025	5.5
159.11682	31.1
161.09648	5.5
161.13226	22.0
163.11177	7.4
163.14732	4.4
167.08580	9.1
168.09315	3.1
169.10161	19.2
171.11664	24.5
173.09610	5.8
173.11778	6.0
173.13156	20.9
175.11226	2.9
175.14839	12.5
177.12708	3.8
179.08630	6.4
179.14357	2.8
181.10146	10.7
183.11693	14.5
185.13231	15.9
187.11157	3.6
187.14777	7.2
189.11232	15.4
189.12697	3.9
191.14415	3.5
193.10117	3.7
194.10915	3.2
195.11723	10.4
197.13293	12.1
199.11165	3.3
199.14865	8.4
203.18060	2.9
205.12218	3.3
207.11679	4.2
209.13322	7.8
211.14801	7.9
213.16426	5.1
215.18011	3.3
221.13266	3.5
223.13191	15.9
225.12825	2.6
225.16451	4.1
227.12737	23.9
227.14508	2.2
227.18001	4.3
229.19427	3.3
231.17328	2.5
231.21057	3.2
235.14893	3.5
237.16428	5.4
239.17920	6.2
241.19598	17.0
242.92224	3.1
243.21121	2.8
245.13925	3.1
245.18932	3.9
251.17851	2.8
253.19516	3.7
257.19064	10.1
259.20627	32.2
273.18506	11.0
275.20105	32.1
285.22318	6.0
289.18079	3.0
291.19559	70.2
312.26068	2.8
315.23248	3.2
331.22583	3.7
333.24197	21.0
335.25836	5.3
349.23795	8.8
363.27005	5.3
365.23212	23.4
379.29929	6.8
381.27771	4.0
399.29108	3.4
511.33969	7.0
513.36499	4.3
529.35114	10.0
531.38141	9.7
543.36768	4.1
547.27325	3.1
549.39130	8.7
567.40594	4.7
593.29236	2.9
595.43524	3.1
605.42212	18.2
623.28961	11.8
623.43048	81.2
624.28894	3.0
641.44067	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	641.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.6
51.89699	1.9
53.03944	6.4
55.01870	15.6
55.05513	37.6
57.03439	20.5
57.07074	3.9
59.04973	2.0
59.66975	1.6
62.99931	1.6
65.03948	4.8
67.05508	100.0
68.99794	3.8
69.03434	5.8
69.07072	32.9
71.04985	5.8
72.08134	3.3
72.97770	1.5
77.85905	1.8
79.05495	83.6
80.06254	2.7
81.03427	10.3
81.07059	85.8
83.04989	16.7
83.08627	18.3
85.02885	2.2
85.06544	6.0
86.09695	4.1
91.05485	78.0
93.07047	86.2
94.04140	1.9
95.04967	39.8
95.08611	60.5
96.05731	2.1
97.02877	5.0
97.06550	13.1
97.10163	7.6
98.20634	3.3
99.08080	4.1
100.11282	12.8
101.11590	4.0
105.04538	2.2
105.07037	68.4
107.04960	37.0
107.08599	43.6
108.05753	2.2
109.06528	19.2
109.10158	31.7
110.07334	1.9
111.04453	4.7
111.08080	8.4
112.05255	1.8
112.59946	1.9
113.06007	8.0
115.05466	7.9
116.06252	2.3
117.07030	35.9
119.05002	4.3
119.08580	46.2
121.06499	10.8
121.10148	25.6
122.07299	12.2
123.04412	4.7
123.08064	11.8
123.11713	5.9
125.06053	3.5
125.09618	5.2
125.72789	2.0
125.73956	1.7
128.06218	7.0
129.07024	17.3
130.07811	1.7
131.08572	40.7
132.05647	2.1
133.06523	15.9
133.10129	34.4
135.04475	2.5
135.08064	14.8
135.11716	16.3
137.06020	2.6
137.09641	6.7
139.07509	4.1
141.06990	8.3
142.07787	2.5
143.08563	22.2
145.06541	8.3
145.10123	28.8
147.08037	19.9
147.11661	22.4
148.08853	2.0
149.05983	2.2
149.09596	8.3
149.13274	7.8
151.07579	2.9
151.11166	4.2
155.08559	9.9
156.09419	3.0
156.50842	1.7
157.10124	17.0
159.08058	9.8
159.11693	20.1
161.09636	17.1
161.13235	8.0
162.10379	3.0
163.07596	2.4
163.11191	7.4
163.14833	2.3
167.08531	4.8
167.63307	1.8
169.10118	10.9
171.08073	3.7
171.11702	13.9
173.09636	6.4
173.13266	14.9
175.11191	5.5
175.14812	5.5
177.12692	4.0
179.14217	4.1
181.10129	6.0
183.11687	7.2
185.09714	1.9
185.13252	9.5
187.11145	4.5
187.14848	7.3
189.11267	2.0
189.12791	1.9
193.10248	2.0
195.11746	4.5
197.13297	8.1
199.11176	2.8
199.14861	6.6
203.14339	4.1
205.16042	3.7
207.11685	4.2
207.13692	2.2
209.13326	4.3
211.14919	4.4
213.12735	2.5
213.16432	2.6
215.14380	6.9
217.15910	1.7
219.11639	1.8
223.14919	2.0
225.16426	2.3
227.17981	3.3
233.13319	2.9
233.15367	12.0
235.14825	2.7
237.16362	2.6
241.19550	7.8
243.13797	2.1
243.21036	2.3
245.19131	2.1
253.14325	5.7
257.18921	2.4
259.20663	8.8
261.14856	3.8
271.17068	3.2
273.18555	15.8
275.20258	9.6
285.21939	3.0
289.17969	12.5
290.18808	7.9
291.19467	12.7
307.19009	4.2
315.23056	2.1
325.20203	3.2
327.23013	2.0
333.24380	6.8
335.25751	6.4
347.22302	3.2
349.23755	3.4
365.23260	7.6
395.29520	1.8
409.30948	6.7
427.32095	2.9
436.12915	1.8
483.34583	4.5
487.34305	14.5
501.35693	12.0
503.37695	3.9
511.33643	4.2
513.36633	2.9
525.36029	1.9
529.35217	4.9
531.38239	5.4
543.36749	3.0
549.39099	6.8
567.40570	11.1
595.39624	28.3
605.41827	7.0
613.44153	7.2
623.33362	2.7
623.43115	37.9
641.28455	2.1
641.44147	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	641.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33699	2.3
53.03932	8.7
55.01859	10.5
55.05511	32.1
56.96550	3.4
57.03444	13.0
57.07055	2.2
57.13323	2.5
61.02928	29.2
65.03925	5.4
67.05505	72.0
69.03425	21.2
69.07065	29.6
69.53258	21.1
70.06557	3.4
71.01367	3.5
71.04992	16.2
73.02921	12.9
79.05067	3.7
79.05495	61.8
81.03419	32.9
81.07058	84.6
83.04985	15.2
83.08624	24.3
85.02905	36.1
85.06548	5.5
91.03974	15.8
91.05482	81.0
93.06474	4.4
93.07047	58.6
95.04966	20.3
95.08607	45.0
97.02894	23.6
97.06535	14.3
97.10162	8.8
99.04454	4.7
99.08080	2.6
103.03940	3.2
103.05449	4.6
105.07028	64.0
106.07303	2.7
107.04961	11.8
107.08594	32.6
109.02876	7.4
109.06512	16.4
109.10168	20.2
110.83947	2.5
111.04433	6.8
111.08063	8.3
115.05451	10.1
117.07021	46.8
119.04925	10.2
119.08577	41.0
121.06494	8.3
121.10115	20.8
123.04451	6.4
123.08085	12.0
123.11701	6.2
125.09632	3.3
127.03912	11.7
128.06181	13.1
129.05511	3.6
129.07005	59.2
131.04912	4.0
131.08569	69.0
133.06529	12.2
133.10114	28.2
135.04443	2.9
135.08060	12.9
135.11668	11.1
137.05966	9.2
137.09621	6.4
137.13055	2.7
139.11192	4.8
141.06998	26.3
142.07748	6.7
143.05675	14.2
143.08560	46.8
145.02844	4.3
145.06500	16.6
145.10133	34.6
147.04399	6.9
147.08057	14.7
147.11674	15.3
149.09639	14.5
149.13275	6.4
151.11143	5.0
153.05545	3.7
153.06964	6.6
154.07706	3.9
155.08577	25.8
157.06451	4.7
157.10124	31.8
159.08070	11.7
159.11676	29.3
161.09569	7.0
161.13293	5.9
163.07553	3.5
163.11201	5.2
165.06941	4.2
165.09122	5.1
165.12721	4.0
166.07817	4.2
167.07039	14.1
167.08562	16.8
168.09360	3.3
169.10117	21.5
171.08058	6.4
171.11662	18.0
173.04590	3.4
173.05977	4.7
173.09615	6.3
173.13171	6.9
175.03865	4.3
175.11180	9.6
177.05476	9.9
177.12761	10.0
178.07704	3.4
179.08543	11.9
181.04912	6.0
181.10133	16.6
183.11678	12.3
185.09627	4.1
185.13220	9.8
187.07544	2.6
187.11185	5.2
189.12668	4.3
191.10663	3.6
193.10196	5.4
193.12186	7.6
195.11699	19.0
195.13411	3.6
197.09581	3.5
197.13272	10.4
199.11157	3.5
199.14828	8.2
201.12737	5.2
203.10805	3.6
203.14369	5.2
205.12251	3.7
207.06490	8.7
207.11682	8.8
209.13324	14.5
211.11211	3.8
211.13191	6.6
211.14839	8.9
213.12730	7.5
215.14346	7.8
219.13768	4.2
221.13251	11.5
223.14816	11.6
225.12686	6.8
225.16403	4.5
227.14391	4.1
229.16068	3.2
235.14760	10.7
237.16364	4.2
239.14308	9.3
241.15897	4.9
247.16919	3.0
249.16476	4.9
253.15823	4.8
257.15411	7.9
257.19373	2.8
259.16797	6.4
267.15851	3.9
271.05933	5.2
271.16983	11.2
285.18295	3.8
287.05423	4.4
299.59818	2.8
307.18970	6.1
307.56091	2.7
323.23676	11.8
333.22266	21.3
341.24765	16.8
351.23190	93.6
369.24243	71.2
387.25272	46.0
413.17816	3.1
425.26813	6.9
443.27933	68.0
455.30170	3.1
461.22476	5.4
461.28918	100.0
479.29825	25.8
605.32642	3.6
623.33856	8.7
641.12756	5.8
641.22461	4.2
641.31372	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01885	3.6
55.05511	10.7
57.03426	2.5
57.07055	0.7
62.15297	0.7
65.03953	2.0
67.05508	20.7
69.03441	1.2
69.06732	0.7
69.07076	8.8
71.04992	4.7
71.08632	0.7
76.31448	0.6
79.05493	18.3
81.03403	1.1
81.07059	18.5
83.04980	2.4
83.08609	4.4
91.05479	16.1
93.07044	14.4
95.04982	4.9
95.08609	12.7
97.06522	5.7
97.10159	3.9
98.21556	1.1
99.08085	1.4
103.05456	1.0
105.06310	0.9
105.07029	17.7
107.04971	3.0
107.08598	11.0
109.06528	3.4
109.10157	6.4
111.08113	1.1
115.05450	1.0
117.07033	5.8
118.06542	0.7
119.08583	12.7
119.09359	1.1
121.06498	2.2
121.10143	6.1
123.08054	2.2
123.11718	2.0
125.09641	2.9
128.06186	0.7
129.07040	3.1
131.08569	8.3
133.06525	0.8
133.10124	10.2
135.08087	1.5
135.11731	2.8
137.09636	2.7
141.06960	1.4
142.07730	0.8
143.08545	3.5
145.10143	6.9
147.08066	1.1
147.11688	4.9
149.09662	4.1
149.13280	1.4
150.72318	0.7
155.08551	1.7
157.10147	3.5
159.08051	1.5
159.09334	0.7
159.11722	6.3
161.09567	1.6
161.13280	2.8
163.11197	2.3
163.14824	1.0
167.08598	0.8
169.10205	1.8
171.11739	2.8
173.09558	0.7
173.11978	0.8
173.13194	3.2
175.11212	0.8
175.14931	0.9
177.12958	0.8
179.14278	1.0
183.11768	1.9
185.10934	0.9
185.13264	1.1
187.14888	1.0
188.03519	0.7
189.11296	1.9
195.11870	1.2
196.09949	0.8
197.10753	1.4
197.13367	1.7
209.10774	1.5
210.11676	1.2
211.12361	2.1
211.14905	0.8
212.13197	0.9
213.16382	0.8
221.10864	0.8
221.13231	0.8
223.12390	1.2
224.13258	1.6
225.13882	2.5
227.11783	1.5
229.19484	0.8
235.14960	0.7
237.13971	1.8
237.16400	0.8
238.14635	1.8
239.11783	1.2
239.15460	2.7
239.17799	1.5
241.19383	0.9
247.20622	1.7
249.13895	1.1
253.62854	0.8
255.11710	0.8
257.19061	4.3
259.20563	1.0
273.13861	1.2
273.18393	1.0
275.14124	0.7
275.20053	18.6
276.20062	0.9
277.21838	0.8
289.18109	1.6
289.55414	0.9
290.16672	3.0
291.19614	2.2
292.18079	2.1
293.21191	0.9
302.16483	0.8
304.14594	0.9
304.18018	1.6
305.15579	0.8
305.18817	1.2
312.15088	1.1
313.15674	1.5
314.16574	0.9
315.17703	1.0
316.14532	0.9
318.15997	1.5
319.16916	1.7
321.12286	0.9
330.16010	0.9
332.17618	1.9
333.18503	0.9
334.19058	1.5
335.25851	2.2
342.16171	1.1
343.17343	0.8
344.17740	0.9
345.18469	1.0
346.19061	1.8
349.23703	7.3
353.15131	0.8
354.12454	1.1
360.21051	1.2
362.65451	0.7
363.21735	0.8
374.18649	1.6
375.19724	1.3
377.17456	0.8
384.17215	2.8
389.17169	0.8
390.22256	1.1
391.19073	1.9
392.19693	4.5
393.20728	1.4
403.19720	1.3
404.19846	0.9
405.21259	1.7
406.21289	5.5
407.22281	5.3
408.22968	2.0
409.23944	0.7
412.16653	3.6
415.19180	1.1
416.20007	1.7
417.21500	1.7
418.21899	1.2
419.22665	3.5
420.22778	2.7
421.23694	8.2
422.24423	11.8
422.29773	1.1
426.17978	1.4
427.19315	1.0
429.21124	1.1
431.22684	1.5
433.23874	2.1
434.17734	2.2
434.24503	7.5
435.21780	2.0
444.18933	5.0
445.20065	1.3
447.17480	1.2
448.18912	0.9
449.23462	1.1
459.21707	2.8
460.22684	1.0
461.19781	2.1
462.20163	3.3
463.21124	10.5
473.23651	1.7
474.24365	1.6
475.21500	3.5
476.21524	3.2
477.23270	4.4
479.25006	1.4
485.23914	1.3
487.25058	1.9
489.22882	2.1
490.23877	1.1
491.24564	3.5
494.26959	4.1
495.27734	2.8
506.26990	0.8
508.22510	3.0
517.22638	1.0
520.21143	1.5
521.25201	1.1
523.27020	1.7
529.35089	1.1
531.23944	0.9
534.22687	1.2
535.23273	0.8
545.25635	9.0
547.27051	9.8
549.25024	18.9
549.38776	1.2
550.25690	6.1
551.24066	0.8
561.21259	2.2
563.26617	7.1
564.26849	0.9
565.27966	1.0
576.23572	1.8
577.24829	1.3
579.29779	2.9
581.27570	1.0
591.26001	53.9
592.26550	1.8
595.29169	1.2
605.27673	8.3
605.37390	0.8
605.41815	1.2
609.27063	18.7
609.45258	1.8
623.28656	100.0
623.43091	6.3
624.29016	1.7
641.29803	12.3
641.44427	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	641.2971
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.03949	1.0
55.01872	4.3
55.05515	7.6
57.03438	2.6
57.07074	1.2
58.58418	0.6
63.64986	0.8
67.05511	12.8
68.00706	0.9
69.07066	7.7
71.05010	1.2
79.05500	14.1
81.03429	1.6
81.07056	12.1
83.04982	2.8
83.08633	2.7
85.06556	2.1
91.05481	12.3
93.07047	11.0
95.04972	4.7
95.08604	9.0
97.06544	7.4
97.10188	2.7
99.08041	0.9
102.12851	0.7
104.42046	0.7
105.07041	10.9
107.04988	4.0
107.08590	8.3
109.06521	3.7
109.10185	4.5
111.08097	1.4
113.06028	1.7
117.07037	4.9
119.08587	8.3
121.06522	1.8
121.10171	3.0
123.08123	1.3
123.11721	1.1
125.09688	2.1
128.06276	0.9
129.07079	2.0
131.08568	5.1
133.06580	1.4
133.10138	5.9
135.08119	2.1
135.11714	2.2
137.09610	1.8
141.07010	0.9
143.08586	2.4
145.10167	5.5
147.08047	0.9
147.11694	4.1
148.92346	0.7
149.09644	3.9
155.08635	2.0
157.10162	2.6
159.08090	2.1
159.11687	3.6
161.09612	1.6
161.13260	1.5
163.11221	2.1
165.09195	0.8
169.10152	1.2
171.11673	1.9
173.13293	1.6
177.12827	1.3
181.10327	0.9
183.11714	1.9
185.13329	2.1
187.11218	1.0
189.11206	1.1
203.02504	0.6
210.11613	1.1
211.12358	0.9
213.10451	0.9
215.14342	0.8
219.17476	1.7
224.13159	0.9
225.13919	1.8
227.12747	1.3
237.13863	1.2
238.14616	0.9
239.15443	1.3
239.17857	0.9
257.19135	1.9
267.16138	0.9
271.16879	1.1
273.18387	1.6
275.20102	12.1
276.20294	0.9
289.18103	3.0
291.19632	1.5
293.21155	1.0
313.15689	1.2
318.16180	1.8
319.16971	1.4
330.16284	1.6
332.17435	1.3
335.25903	1.1
343.94186	0.7
346.19257	1.0
349.23877	5.6
375.19699	0.9
384.17258	1.4
389.17526	1.2
392.19781	2.7
393.20901	1.3
401.17633	1.2
403.19290	3.0
404.20200	2.2
405.20993	1.4
406.21539	3.7
407.22290	5.1
412.16623	2.0
415.19379	2.1
416.20209	2.7
417.20789	5.7
418.21609	3.0
419.22430	3.2
420.22934	2.5
421.23779	5.4
422.24512	7.2
426.18158	1.0
428.20093	0.9
429.20883	3.0
430.22189	1.4
431.23184	3.7
432.23596	1.1
433.24124	6.6
434.24713	5.5
444.19278	3.0
444.24130	1.3
445.23993	3.2
446.25031	1.7
447.25809	1.7
449.23657	1.8
459.21255	4.6
460.22836	2.7
461.19824	2.2
462.20273	5.0
463.21472	3.1
472.22360	1.0
473.23419	4.2
474.24261	2.9
475.21335	4.8
476.22006	2.2
477.22833	17.7
485.23752	1.5
487.24896	5.1
489.22946	1.6
490.23825	1.6
491.24579	4.7
505.26297	2.6
506.26782	3.0
515.24396	1.5
517.26959	1.1
519.27734	1.4
523.27264	1.1
531.23950	1.3
535.23834	3.0
545.25507	10.5
546.26349	1.6
547.27100	17.0
549.25024	11.9
550.25818	17.0
563.26581	3.1
564.27435	3.1
577.28107	1.8
579.29626	8.9
581.27362	0.9
591.26056	13.7
605.27612	20.0
609.27045	12.0
623.28699	100.0
623.42908	3.6
624.29236	2.1
641.30408	7.3
641.43805	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	641.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05511	3.8
57.03433	1.7
67.05508	10.3
69.03424	0.9
69.07069	3.6
69.44646	4.0
71.04993	1.6
72.76331	0.5
79.05488	7.6
81.03414	2.3
81.07058	9.0
83.04977	1.5
83.08625	2.1
85.06539	1.5
91.05475	7.8
92.05798	0.6
93.07050	6.3
95.04981	4.0
95.08608	5.3
97.06516	3.2
97.10180	0.9
98.20853	1.0
105.07029	8.0
107.04974	2.3
107.08597	6.0
109.06483	2.6
109.10176	3.0
111.08125	0.5
113.05974	2.6
114.03194	0.5
115.05430	0.6
117.07005	2.4
119.08563	4.5
121.06549	0.8
121.10174	2.1
123.08100	1.0
123.11691	0.7
125.09669	1.4
128.06279	0.6
129.07024	0.9
131.08556	2.9
133.10135	4.5
135.08072	1.4
135.11737	1.5
137.09737	0.6
143.08598	1.2
145.06523	0.6
145.10106	3.4
147.08127	0.5
147.11674	2.6
149.09630	1.7
151.11200	0.7
155.08543	0.8
157.10165	1.4
159.11696	2.7
161.13225	1.2
163.11209	1.5
167.08701	0.6
169.10136	0.8
171.11755	0.9
173.13228	1.2
179.14362	1.2
185.13361	0.7
187.14990	0.6
199.14995	0.5
203.14349	0.6
213.16306	0.5
227.12741	0.7
229.19522	0.5
239.17981	0.8
247.20732	0.7
257.19138	1.8
259.20609	0.6
261.55457	0.5
275.20093	9.5
291.19699	1.0
292.19968	1.0
293.21063	1.1
301.15906	0.6
341.15518	0.6
349.23666	4.0
388.17313	0.6
389.17444	0.5
390.18765	0.8
391.19336	1.4
392.19836	0.6
405.16803	0.8
405.21295	0.9
418.17862	0.9
419.18143	2.5
432.19650	0.9
433.20319	2.8
434.21179	1.9
435.21921	1.0
447.17416	1.1
447.22772	0.9
448.22824	1.0
449.23517	1.8
461.19382	8.2
462.20367	3.6
463.21512	0.8
465.19580	1.8
467.24460	2.2
475.21341	1.9
476.22040	2.3
477.23120	3.5
479.20480	1.1
480.21414	0.8
489.22885	0.7
493.21970	1.3
494.22617	3.0
495.23962	1.5
507.24265	0.8
520.24976	1.2
521.22009	1.2
534.26392	0.6
535.26837	1.6
543.36938	2.1
548.24042	3.5
549.24829	1.9
553.28827	0.6
563.26514	6.6
579.23212	0.8
581.27655	10.1
605.42230	0.6
608.26288	2.3
623.28699	3.8
623.42841	4.0
640.43616	0.7
641.29675	100.0
642.29675	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	641.2965
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03949	0.4
53.46704	0.3
55.01865	1.2
55.05514	2.9
57.03436	0.8
65.03951	0.6
67.05506	6.4
69.03425	0.4
69.07069	2.9
71.04989	0.5
79.05490	6.1
81.03416	0.7
81.07056	6.3
81.07519	0.5
83.04983	0.8
83.08637	1.7
85.02914	0.4
85.06543	0.3
91.05477	5.3
93.07038	4.4
94.93661	0.3
95.04967	2.1
95.08604	3.6
97.06525	2.0
97.10188	1.1
98.21561	0.5
105.07027	5.0
106.18363	0.3
107.04960	1.2
107.08588	4.2
108.08164	0.3
108.54005	0.3
109.06500	1.8
109.10146	2.4
111.08098	0.8
113.06055	0.4
115.05463	0.3
117.07018	2.4
119.08578	3.5
121.06533	0.5
121.10152	1.8
123.08089	0.7
123.11742	0.7
125.09631	1.0
127.03867	0.3
128.06316	0.4
129.07034	0.9
131.08569	2.9
133.06508	0.4
133.10153	2.9
135.08022	0.6
135.11713	1.2
137.09622	0.5
141.07025	0.4
143.08560	1.4
145.10110	3.0
147.11691	2.0
149.09598	2.1
149.13292	0.5
151.11174	0.3
155.08595	0.9
157.10173	1.1
159.11678	2.1
161.13264	0.7
163.11163	1.0
165.12772	0.3
169.10167	0.8
171.11615	1.3
173.11877	0.4
173.13335	1.1
175.11166	0.6
181.06618	0.3
181.10197	0.4
183.09225	0.3
183.11644	0.7
185.13281	0.8
187.14807	0.4
189.11270	0.7
195.11714	0.5
197.13246	0.3
199.14996	0.3
201.12744	0.4
204.33966	0.3
213.16388	0.4
223.13171	0.4
227.12733	0.9
229.19643	0.3
239.17886	0.7
247.20634	0.3
257.18997	1.2
259.20718	0.3
273.18512	0.6
275.20059	7.0
291.19495	0.5
293.21115	1.1
331.22684	0.4
335.25919	0.4
349.23792	2.1
377.17648	0.8
379.19302	1.0
390.18515	0.4
391.19238	1.1
392.20193	0.8
393.20966	1.4
405.16574	2.2
405.20264	0.5
405.21588	0.6
406.17844	1.1
406.22333	0.4
407.17767	0.5
407.22809	4.2
408.23508	0.5
410.45129	0.3
416.19550	0.3
418.17560	0.5
419.18497	3.9
420.18842	1.5
421.15317	0.4
421.20193	4.5
423.21768	1.1
433.15805	0.4
433.20349	4.9
433.25336	0.3
434.21225	4.1
435.21942	7.5
436.22742	1.1
447.22528	1.5
449.19623	8.8
461.24084	0.4
462.20358	0.5
463.21075	3.0
464.22372	1.7
465.19571	0.9
467.24615	0.7
468.25204	0.4
477.23083	0.7
479.20825	0.9
481.21790	1.4
493.22498	1.6
494.23010	2.7
495.23727	3.5
505.22620	0.3
507.24304	1.8
509.25275	0.6
521.25702	10.1
522.26025	0.6
523.27704	0.7
531.38422	0.3
535.23035	0.4
539.23193	1.1
543.36804	0.6
549.24817	1.0
549.39539	0.4
550.24854	0.6
553.25708	0.9
563.26807	0.8
567.25818	0.5
567.39691	0.4
581.27661	18.4
582.27753	0.6
609.27155	0.8
623.28955	0.3
623.42981	2.9
641.29669	100.0
642.29614	1.6
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	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05511	3.8
57.03433	1.7
67.05508	10.3
69.03424	0.9
69.07069	3.6
69.44646	4.0
71.04993	1.6
72.76331	0.5
79.05488	7.6
81.03414	2.3
81.07058	9.0
83.04977	1.5
83.08625	2.1
85.06539	1.5
91.05475	7.8
92.05798	0.6
93.07050	6.3
95.04981	4.0
95.08608	5.3
97.06516	3.2
97.10180	0.9
98.20853	1.0
105.07029	8.0
107.04974	2.3
107.08597	6.0
109.06483	2.6
109.10176	3.0
111.08125	0.5
113.05974	2.6
114.03194	0.5
115.05430	0.6
117.07005	2.4
119.08563	4.5
121.06549	0.8
121.10174	2.1
123.08100	1.0
123.11691	0.7
125.09669	1.4
128.06279	0.6
129.07024	0.9
131.08556	2.9
133.10135	4.5
135.08072	1.4
135.11737	1.5
137.09737	0.6
143.08598	1.2
145.06523	0.6
145.10106	3.4
147.08127	0.5
147.11674	2.6
149.09630	1.7
151.11200	0.7
155.08543	0.8
157.10165	1.4
159.11696	2.7
161.13225	1.2
163.11209	1.5
167.08701	0.6
169.10136	0.8
171.11755	0.9
173.13228	1.2
179.14362	1.2
185.13361	0.7
187.14990	0.6
199.14995	0.5
203.14349	0.6
213.16306	0.5
227.12741	0.7
229.19522	0.5
239.17981	0.8
247.20732	0.7
257.19138	1.8
259.20609	0.6
261.55457	0.5
275.20093	9.5
291.19699	1.0
292.19968	1.0
293.21063	1.1
301.15906	0.6
341.15518	0.6
349.23666	4.0
388.17313	0.6
389.17444	0.5
390.18765	0.8
391.19336	1.4
392.19836	0.6
405.16803	0.8
405.21295	0.9
418.17862	0.9
419.18143	2.5
432.19650	0.9
433.20319	2.8
434.21179	1.9
435.21921	1.0
447.17416	1.1
447.22772	0.9
448.22824	1.0
449.23517	1.8
461.19382	8.2
462.20367	3.6
463.21512	0.8
465.19580	1.8
467.24460	2.2
475.21341	1.9
476.22040	2.3
477.23120	3.5
479.20480	1.1
480.21414	0.8
489.22885	0.7
493.21970	1.3
494.22617	3.0
495.23962	1.5
507.24265	0.8
520.24976	1.2
521.22009	1.2
534.26392	0.6
535.26837	1.6
543.36938	2.1
548.24042	3.5
549.24829	1.9
553.28827	0.6
563.26514	6.6
579.23212	0.8
581.27655	10.1
605.42230	0.6
608.26288	2.3
623.28699	3.8
623.42841	4.0
640.43616	0.7
641.29675	100.0
642.29675	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	639.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38935	0.8
53.03945	7.9
55.01868	7.0
55.05510	22.0
56.02641	0.8
56.73446	0.9
57.03438	9.0
57.07072	2.3
59.04990	2.0
59.85450	0.8
60.59544	1.0
61.02934	2.0
65.03940	4.2
67.05505	73.0
69.03080	1.6
69.03431	20.3
69.07068	19.9
70.06573	0.9
70.16123	3.8
71.01335	2.0
71.03856	1.2
71.04173	1.3
71.04993	40.1
73.02901	1.1
75.87962	1.0
77.03874	1.1
79.05492	46.6
81.03417	49.5
81.07055	100.0
83.04982	13.2
83.08614	12.9
85.02895	9.0
85.06543	8.6
87.04438	1.8
89.06049	1.6
91.03952	1.0
91.05482	43.5
93.07043	50.3
95.04967	14.6
95.08607	22.4
97.02884	14.7
97.06535	12.1
97.10159	4.2
99.04465	7.1
99.08100	3.3
101.02355	1.1
103.05503	1.4
105.04537	1.9
105.07031	23.2
107.04949	5.9
107.08593	32.7
109.02882	13.5
109.06518	6.6
109.10163	11.8
111.04443	7.5
111.08084	6.4
113.06020	1.0
115.05436	1.9
117.07013	12.8
119.08579	10.3
121.06506	4.0
121.09303	1.6
121.10145	15.9
123.04426	1.6
123.08076	2.6
123.11720	9.6
125.06000	1.2
125.09624	3.5
127.03928	12.0
127.07578	1.0
129.05487	2.6
129.07031	2.2
131.08559	14.2
133.06444	1.7
133.10121	20.3
135.04442	1.3
135.08041	3.2
135.11720	8.1
137.05986	1.2
137.09618	1.6
139.11137	1.2
142.07759	1.1
143.08614	2.5
145.06459	1.8
145.10127	5.9
147.04349	1.2
147.08044	2.4
147.11664	8.3
149.06020	1.1
149.09636	2.5
149.13266	24.4
151.11150	8.0
153.12708	1.6
155.08504	1.7
157.10121	3.6
159.08102	1.7
159.11700	13.0
161.09647	1.8
161.13245	1.5
163.11172	3.3
165.12813	1.9
169.12242	1.4
171.06534	2.1
171.11694	2.8
173.04466	12.1
173.09648	2.3
173.13243	1.5
175.11200	3.2
177.12732	8.1
179.14346	1.2
181.10153	1.1
183.06613	1.5
183.11653	1.5
183.13817	4.2
185.13286	1.6
187.13306	10.8
189.36807	1.0
191.10654	1.1
193.12241	3.3
195.13783	12.9
199.16983	1.3
201.14873	3.8
209.11734	2.6
211.07524	1.1
211.13194	2.1
213.14789	2.3
225.14856	1.7
227.12755	3.2
229.14468	1.3
251.16389	1.3
253.18030	1.3
257.17502	2.0
259.13498	1.0
267.15988	2.8
269.17487	9.6
273.18536	2.3
275.16492	1.5
275.20120	1.7
281.17181	1.2
283.15723	1.9
283.19046	4.1
285.14661	1.4
287.16367	1.2
287.71295	1.1
291.19556	1.4
303.15909	1.9
321.16949	2.6
326.38824	1.0
335.22382	1.0
339.17993	8.8
353.24329	1.1
377.19501	1.7
391.28030	1.2
395.20667	5.3
403.28320	2.2
419.27963	1.5
421.29404	2.8
423.27325	1.7
427.23804	1.9
435.31128	1.9
437.23038	1.4
437.29013	24.1
451.30573	7.2
453.32324	1.8
463.30539	5.1
495.33755	5.7
498.94247	1.0
533.31067	1.3
545.30920	2.0
571.32098	1.3
589.34100	1.6
607.34772	14.3
621.33398	2.2
639.37177	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	639.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.01876	7.5
55.05513	20.1
57.03437	9.6
57.07065	2.1
59.04971	1.5
61.02927	4.7
65.03929	4.2
66.81477	1.3
67.05505	72.4
69.03425	17.1
69.07069	19.7
69.32223	14.9
71.01367	1.9
71.04995	27.1
73.02921	2.9
79.05492	42.9
81.03418	36.5
81.03780	0.8
81.07056	100.0
83.04988	13.8
83.08613	13.3
85.02900	11.0
85.06537	9.9
91.03945	1.7
91.05484	53.0
93.07045	49.2
95.04974	16.6
95.08611	26.8
97.02885	11.2
97.06525	11.9
97.10178	5.4
99.04459	5.5
99.08125	3.3
103.04005	1.8
104.00569	1.2
105.07031	36.6
107.04947	10.9
107.08598	30.4
109.02870	13.0
109.06508	12.4
109.10155	12.4
111.04446	6.1
111.08092	6.6
113.05988	7.0
115.05447	3.2
116.06259	1.8
117.07021	15.2
119.08573	21.5
121.06508	3.8
121.10149	17.7
123.04465	2.4
123.08057	4.4
123.11694	10.4
125.09632	4.3
126.64222	1.3
127.03901	8.5
127.07613	1.7
128.06262	2.3
129.05533	1.9
129.07011	10.0
131.04869	1.4
131.08562	19.9
133.06511	3.5
133.10136	21.9
135.08081	6.1
135.11668	12.0
137.09634	2.9
139.11205	1.8
141.07094	2.6
143.08580	10.0
143.10568	1.3
145.04959	1.8
145.06480	4.1
145.10158	12.9
147.08057	3.9
147.11690	11.7
149.09610	6.9
149.13258	14.2
151.11197	6.6
155.08575	5.6
157.10144	9.0
159.08121	2.5
159.11693	15.3
161.09630	2.6
161.13292	2.6
163.11200	4.8
165.12788	4.3
169.10110	4.6
171.08026	1.9
171.11734	4.9
173.04460	6.1
173.05862	1.4
173.13275	3.6
175.11217	4.5
177.12769	6.2
179.14270	2.0
181.10132	3.2
181.12302	1.9
183.11723	3.2
183.13770	2.5
185.13234	3.2
187.13324	8.7
187.14819	2.4
189.11197	1.7
189.12711	1.6
193.12241	4.6
195.11949	2.4
195.13846	10.4
197.13281	2.7
199.06259	1.6
201.12849	1.6
201.14896	2.0
209.11615	1.9
209.13365	2.1
211.11453	1.9
211.13292	3.7
211.14993	2.5
213.14851	2.3
217.15854	2.9
218.44542	1.4
221.13310	1.5
227.12781	2.3
229.14389	1.9
247.16847	1.7
255.17537	2.8
257.19385	1.8
261.14948	1.9
262.36737	1.5
267.15878	5.9
269.17474	6.2
273.18451	10.3
275.20105	5.8
283.19067	1.6
291.19437	12.9
303.15985	3.4
336.06390	1.8
339.17990	4.5
343.26328	3.0
347.22153	1.7
349.23752	3.2
353.24802	4.9
371.25882	6.0
377.19452	2.9
385.27640	2.2
389.26962	1.7
395.20569	4.3
403.28522	17.5
421.29504	1.9
437.28970	13.7
445.29535	3.9
451.30621	6.2
459.28329	1.4
463.30807	6.6
477.32150	9.0
487.30502	1.6
495.33533	6.6
533.30975	1.4
589.33545	1.9
607.34723	11.2
621.40771	4.3
639.21759	2.6
639.36786	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.9
53.80367	0.8
55.01878	5.7
55.02103	1.2
55.05513	19.6
57.03438	10.6
57.07069	1.4
61.02916	1.3
65.03937	2.8
67.05507	32.3
69.03083	1.4
69.03432	19.3
69.07065	10.4
70.06567	1.0
70.91264	1.1
70.91595	1.7
71.01353	1.4
71.04996	6.9
73.02901	2.3
79.05494	30.0
81.03421	100.0
81.07056	37.2
83.04984	21.4
83.08620	20.4
85.02908	26.2
85.06537	2.7
87.04454	1.0
91.05482	36.5
93.07043	26.2
95.04968	32.7
95.08611	14.9
97.02897	17.6
97.03510	1.2
97.06529	7.4
97.10178	8.6
99.04468	6.4
99.08123	1.5
101.02386	0.9
103.05472	2.4
105.07035	24.3
107.04973	11.6
107.08591	12.9
109.02880	19.9
109.06516	6.8
109.10167	8.1
111.04439	15.3
111.08069	9.8
113.06042	1.9
115.05460	2.7
117.07014	5.9
119.04898	2.5
119.08582	21.5
121.02887	1.2
121.06516	7.3
121.10168	10.3
123.04430	4.5
123.08076	3.9
123.09261	0.8
123.11721	3.5
125.05994	3.2
125.09634	4.9
127.03930	10.4
128.06172	1.7
129.05557	1.9
129.07016	11.6
131.04939	1.5
131.08571	13.9
132.01553	0.9
133.06496	5.4
133.10139	13.8
135.04388	0.8
135.08055	2.8
135.11700	5.0
137.06003	3.2
137.09605	2.7
141.06969	1.6
142.07802	3.0
143.05641	4.1
143.08566	2.9
145.02893	2.0
145.06506	1.9
145.10124	7.3
147.04407	3.7
147.08040	4.3
147.11697	19.9
149.06020	2.4
149.09608	7.4
149.13249	1.8
151.07562	1.5
151.11134	1.5
153.09076	1.3
153.12756	2.7
155.08562	1.9
157.06535	1.3
157.10133	14.3
159.08044	1.6
159.11711	1.9
161.05962	2.2
161.09618	1.3
163.03912	1.8
163.07542	1.0
163.11211	6.8
165.05466	1.3
165.09198	1.3
165.12779	4.7
167.07053	2.8
169.10130	1.4
171.11737	1.8
173.04474	2.8
173.06015	1.3
173.09647	2.5
173.13271	1.3
175.03995	1.9
175.07678	1.3
175.11172	14.0
177.05440	2.8
181.12268	4.3
183.06477	1.0
185.09613	1.5
187.14787	0.9
189.11211	2.1
189.12804	1.1
191.10719	5.6
193.10445	2.1
193.12247	41.5
197.09674	1.0
207.06622	2.8
209.11736	2.9
211.13293	62.3
212.13686	0.9
227.12709	6.7
229.14386	2.8
233.15358	1.2
235.13342	1.8
249.14940	2.5
251.12802	1.1
259.13321	0.9
267.15933	16.0
271.06033	2.1
273.14941	2.9
277.14529	1.2
283.15582	2.3
285.17017	10.4
287.05490	2.6
289.14340	1.2
301.14172	4.2
309.17358	0.9
319.15451	3.6
337.16434	3.7
355.17560	8.1
367.22726	2.7
385.23685	3.0
393.19235	3.0
411.20163	5.5
429.21115	2.8
459.27228	9.1
477.28348	11.7
495.29584	12.3
511.29166	1.1
585.30756	1.5
603.31934	2.0
621.32721	11.0
639.33765	39.8
640.34222	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72866	2.6
53.03951	15.9
55.01859	14.1
55.05513	42.3
55.41029	2.0
57.03439	13.9
61.02936	6.2
65.03944	3.9
67.05507	95.2
69.03430	42.3
69.07080	27.2
70.27338	11.3
71.01350	6.1
71.05000	24.2
73.02933	4.2
79.05495	63.8
81.03422	88.7
81.07059	100.0
83.01350	2.8
83.04990	23.0
83.08620	23.1
85.02905	18.8
85.06544	6.2
91.03967	5.1
91.05482	64.4
93.07047	61.3
95.04974	22.9
95.08613	34.1
97.02898	27.0
97.06541	15.0
97.10169	17.3
99.04456	12.6
99.08076	5.3
101.02331	2.6
103.05502	7.8
105.04557	2.2
105.07036	42.6
105.07701	4.2
107.04970	20.2
107.08595	42.7
109.02892	21.3
109.06529	12.2
109.10166	30.1
111.04448	14.1
111.08088	9.7
115.05458	3.9
117.07024	31.7
119.04918	6.6
119.08587	32.2
121.06509	9.0
121.10144	19.3
123.04437	6.5
123.08077	7.5
123.11724	6.3
125.05989	2.9
125.09673	14.0
127.03925	20.8
128.06232	4.8
129.05472	3.1
129.07016	20.3
131.04930	3.8
131.08565	29.8
133.06496	9.3
133.10135	22.4
135.08076	8.2
135.11682	17.0
137.05920	2.7
137.09628	5.0
139.07518	2.7
140.28236	2.4
141.07025	3.7
141.15617	2.3
143.08578	7.6
145.06519	9.6
145.10112	18.4
147.04413	3.6
147.08044	10.8
147.11716	9.1
149.09625	7.3
149.13242	16.0
151.11121	4.2
153.12775	9.0
155.08572	6.7
157.10139	6.6
159.11685	12.5
161.06055	3.6
161.09625	6.4
161.59012	2.4
163.11197	20.6
165.12755	5.8
169.08714	2.3
169.10081	5.1
171.08031	4.0
171.11700	5.8
173.04494	20.4
173.09651	4.6
173.11781	5.3
175.11191	4.5
177.12761	8.2
181.12257	6.3
183.06551	3.5
183.11694	4.2
185.13228	6.3
189.11203	4.7
189.12717	3.2
191.10658	11.4
193.12260	4.4
195.11772	3.3
195.13817	9.9
197.13324	4.3
201.12712	2.4
209.11678	24.9
211.13214	3.7
213.12897	11.5
213.14693	3.4
215.14333	9.9
227.12720	20.2
229.14291	16.5
231.13878	8.6
233.15445	4.7
245.13719	2.6
249.14908	3.0
267.15976	6.6
269.17444	15.5
273.14832	2.5
275.16479	3.6
283.15427	6.7
303.15775	3.4
305.17596	6.2
317.13327	2.7
336.15698	2.4
339.18033	5.6
349.21423	3.8
353.15784	3.7
367.22708	7.4
377.19479	3.1
385.23724	5.4
395.20575	4.6
409.18475	4.0
437.29105	3.5
441.26358	10.8
459.27515	33.0
477.28375	25.6
495.29681	6.4
533.89380	2.5
603.31274	3.5
607.34869	3.5
621.32642	16.0
639.33478	39.4
646.48584	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	639.2809
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03931	0.6
55.01862	1.2
55.05512	1.9
57.03424	0.8
65.03932	0.4
67.05499	4.1
69.03413	1.0
69.07072	2.5
69.41793	2.8
75.57771	0.3
79.05486	4.3
81.03413	0.7
81.07056	4.5
83.04988	0.7
83.08611	0.9
83.48931	0.3
85.06535	0.4
91.05486	4.8
91.65174	0.3
93.07049	3.7
95.01350	0.3
95.04990	1.6
95.08592	2.4
95.38004	0.3
97.02852	0.4
97.06526	1.7
97.10176	0.5
98.20843	0.7
99.08039	0.3
105.07030	3.8
107.04951	1.4
107.08604	1.8
109.06524	1.3
109.10159	1.1
111.08089	0.4
115.05477	0.3
117.07017	1.2
119.08569	3.8
121.06543	0.4
121.10127	0.7
123.08086	0.5
125.09641	0.6
129.07008	0.9
131.08560	1.9
133.06433	0.4
133.10139	1.8
135.08090	1.0
135.11696	0.5
143.08577	0.7
145.06392	0.4
145.10153	1.3
147.08022	0.7
147.11700	1.0
149.09637	0.8
149.13260	0.6
155.08568	0.5
157.10178	0.7
159.08122	0.6
159.11684	0.8
160.42876	0.4
161.09622	0.5
161.13358	0.5
163.11224	0.8
169.10117	0.5
171.11653	0.5
173.09659	0.4
173.13245	0.5
175.11179	0.6
177.12772	0.5
179.14316	0.3
181.10062	0.4
187.11186	0.4
197.13235	0.3
211.08965	0.3
223.13177	0.4
225.10229	0.5
237.10323	0.4
239.11830	0.3
239.18114	0.4
243.75267	0.3
249.10194	0.5
257.18845	0.4
258.29828	0.3
273.18484	1.1
275.20010	3.2
283.05032	0.3
285.12961	0.3
291.19421	2.4
300.14780	0.3
314.13016	0.4
324.15036	0.4
326.13226	0.6
328.14502	0.5
356.17752	0.4
377.17776	0.5
392.16089	0.6
393.17175	1.2
393.21515	0.4
405.17242	1.2
406.17697	0.6
407.18372	1.8
409.20218	0.4
417.16901	0.4
418.18250	0.7
419.14297	0.6
419.19086	0.8
420.15225	0.9
420.19785	1.0
421.20486	5.3
422.20993	1.8
423.22028	1.1
431.19064	0.7
432.19794	0.7
433.15631	0.5
433.21313	1.6
434.16812	1.5
435.17368	2.8
436.23035	2.3
445.16278	0.6
447.21759	1.6
448.18671	2.2
449.19595	9.3
450.20251	3.1
451.21387	0.4
459.17999	1.0
460.18774	0.6
461.19708	1.2
462.20923	0.7
463.21579	5.7
464.22220	6.0
465.23309	0.8
473.19382	0.7
474.20398	0.8
475.21585	2.1
476.21036	0.3
477.18674	5.2
478.19531	1.8
479.20810	0.8
481.21863	0.4
490.19910	0.5
491.20990	0.9
492.21484	0.9
493.22311	0.9
495.23883	0.9
505.22226	0.4
507.24011	0.7
509.21613	0.6
521.21973	0.8
523.23199	1.9
533.21729	1.4
535.23584	3.6
536.24005	1.3
537.21918	1.3
549.21381	0.6
550.26257	1.5
551.26685	2.8
561.24915	4.1
563.22687	0.6
564.23547	4.7
565.24567	2.4
579.26007	6.3
581.23505	0.7
592.23297	0.6
595.25427	2.7
596.26093	0.9
607.25043	0.5
610.27679	0.8
611.28986	0.6
621.27069	4.8
621.41949	0.8
624.25775	5.3
639.28088	100.0
639.42133	3.5
640.28247	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83249	1.0
104.27383	1.0
112.36540	1.0
116.04767	0.9
120.08171	1.7
122.09681	1.6
154.56755	1.0
195.09120	1.1
209.10768	3.5
223.08742	1.1
223.12256	2.9
224.13016	2.5
225.10161	2.1
225.13780	2.7
226.14372	1.1
227.08214	1.1
237.10301	1.5
237.13783	1.9
238.10945	1.5
239.08298	1.3
239.11763	2.1
239.15466	2.0
240.12381	1.0
249.10390	1.9
249.13820	1.1
251.08005	1.2
253.13403	3.7
265.13229	1.1
266.13962	2.0
267.14853	3.0
316.14380	1.2
326.12949	1.4
330.12128	1.0
330.16049	1.3
350.12750	1.2
351.13629	1.1
354.12439	1.2
401.17526	2.1
402.18536	1.6
403.14954	1.4
403.19604	1.5
406.18185	1.5
415.19522	2.1
416.20047	2.1
417.20914	3.6
418.21585	2.0
429.16913	3.5
430.17853	1.9
431.18130	5.2
432.22983	1.7
433.16092	1.3
433.24179	8.0
434.17380	2.9
435.18155	2.1
436.18918	2.1
443.18506	2.0
444.19305	7.2
445.20346	6.1
447.18240	1.3
448.18652	2.2
449.19687	3.6
450.20090	1.2
451.21063	1.9
458.21463	1.9
459.21826	47.6
460.22659	10.6
461.23584	7.6
463.21484	1.4
464.21829	2.0
473.23444	2.7
475.21848	2.6
477.18896	2.5
478.20282	1.3
487.25223	1.6
490.19965	1.3
492.21213	3.6
493.21899	1.9
504.20981	1.5
519.23712	10.0
520.20349	2.1
531.23773	3.3
533.21301	1.1
535.27069	1.3
538.21777	2.9
547.27179	28.5
551.26752	5.5
552.23535	2.8
553.23779	2.3
561.25128	2.2
563.26367	3.3
564.23566	3.0
574.25378	2.1
575.23798	1.6
578.24817	1.2
579.25940	11.0
580.26678	3.0
581.23987	1.8
589.24261	3.0
591.25745	2.9
592.23749	2.3
593.24207	3.8
596.25812	5.8
597.27124	1.3
606.28345	100.0
607.25610	23.4
608.27179	1.4
610.26764	3.2
611.28607	17.3
621.26837	4.1
622.28162	6.4
624.25494	3.3
638.26147	1.1
639.27924	64.7
640.27631	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
56.96568	0.1
57.03425	0.3
60.05644	0.2
61.02918	0.1
67.05492	0.2
68.99775	0.3
69.03433	1.2
69.07064	0.2
69.41952	0.9
69.42381	0.4
70.06590	0.3
71.04971	0.2
73.02928	0.2
73.04044	0.2
81.03049	0.1
81.03422	1.4
83.02455	0.1
83.04964	0.2
84.08135	0.2
85.02910	1.5
85.21436	0.1
86.09713	0.3
87.00838	0.3
87.06719	3.9
91.05479	0.4
97.02910	0.9
99.04451	0.3
109.02888	1.7
110.55164	0.1
111.04412	0.2
113.04602	0.3
115.06236	0.1
116.02301	0.1
116.98652	0.1
119.04977	0.2
120.51288	0.1
123.04373	0.2
125.04578	0.2
125.30550	0.1
127.03905	1.5
129.01871	0.3
136.07565	0.3
137.06004	0.2
141.01851	0.3
141.04080	1.2
142.04837	0.3
143.05647	100.0
144.06055	0.3
145.02875	0.2
145.04996	0.4
147.04440	0.2
163.03955	0.2
164.07106	0.2
167.05750	0.2
167.07076	0.3
177.05450	0.3
184.04781	0.1
185.06709	0.7
189.05341	0.8
205.04788	0.5
207.06583	0.3
209.06865	0.2
213.03923	0.3
231.04921	0.2
237.02690	0.2
249.07495	0.1
250.08115	1.3
251.08665	0.2
289.12057	0.2
305.10965	2.1
317.12274	0.2
373.09833	2.1
381.11639	0.4
395.13123	0.4
433.12057	0.3
458.74307	0.2
477.17526	0.4
499.13022	1.7
517.14105	1.6
535.15234	3.8
603.20544	0.2
619.20551	0.2
639.22980	8.5
640.24316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03949	0.3
55.01871	0.2
61.02905	0.2
63.02370	0.3
65.03936	2.3
67.01879	0.2
67.05516	0.3
68.99798	0.2
69.03429	0.6
69.07066	0.3
69.88729	0.8
70.06587	0.3
73.03378	0.1
75.02370	0.2
76.03165	0.3
76.35939	0.2
77.03934	0.7
79.05491	0.5
80.06267	0.3
81.03415	0.6
81.07055	0.3
83.04992	0.3
84.08118	0.5
85.02904	0.6
86.09742	0.2
89.03899	1.0
90.04702	0.2
91.05482	30.3
91.28316	0.2
93.03460	0.2
93.07035	0.3
95.04964	0.7
95.08601	0.2
97.02900	0.3
98.21420	0.3
103.05479	0.8
105.03407	0.6
105.07020	0.4
107.01350	0.2
107.04949	0.5
108.05719	0.3
109.02905	0.3
109.10162	0.2
115.05449	0.5
117.03380	0.4
117.07021	0.6
118.04188	0.7
119.04944	40.6
120.05277	0.5
121.02897	1.7
121.10155	0.2
122.03645	0.2
127.03931	0.4
129.03368	0.6
129.39455	0.2
131.04922	0.4
131.83075	0.2
132.02089	1.8
133.02879	0.5
133.06454	0.2
135.04449	0.9
136.05199	0.7
137.05986	0.4
139.80133	0.2
143.05640	1.1
145.02847	1.7
145.06493	0.6
146.03578	0.4
147.04410	36.0
147.11678	0.2
148.04802	0.4
149.02338	1.9
149.05972	0.3
149.09570	0.2
150.03152	0.2
151.03926	0.2
157.03969	3.2
160.01543	0.2
161.05986	0.4
162.03111	0.4
163.03955	1.0
163.11057	0.2
164.04733	1.1
165.01845	1.1
167.03395	0.6
167.07018	0.5
173.06001	0.5
174.03091	0.2
175.03909	57.1
176.04448	0.6
177.01778	0.3
177.05438	1.4
179.03337	0.2
179.07033	3.2
181.04991	0.3
183.02924	0.8
187.03810	0.2
189.05542	0.3
191.03380	0.2
192.04182	0.5
195.02896	0.4
205.08684	0.2
207.06528	100.0
208.06876	0.8
217.04927	1.1
231.06512	0.5
249.07611	1.6
267.06528	3.1
270.05240	0.6
271.06030	6.1
281.08051	0.8
283.06009	12.6
284.06726	1.3
287.05518	0.3
295.06030	10.7
295.09372	0.7
296.06369	0.3
297.04288	0.2
297.07599	0.7
299.05560	0.3
301.06931	0.7
305.07962	0.4
307.05951	0.5
308.06750	0.2
309.04150	0.4
309.07526	2.6
313.07050	15.1
321.07626	0.4
323.09100	1.7
333.07483	0.5
335.05466	0.2
337.07062	6.3
337.11093	0.4
343.08142	0.2
349.07077	1.3
351.08502	0.3
361.07007	1.6
367.08173	3.3
369.11902	0.4
379.08130	4.9
397.09198	3.1
415.04858	0.3
415.10254	6.5
422.08142	0.2
433.11346	6.4
459.26929	0.2
462.32321	0.2
473.12411	0.2
483.10559	0.2
501.11771	1.8
519.12585	0.5
521.64923	0.2
571.79132	0.2
603.15039	0.3
621.16187	0.3
639.16852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01864	0.5
55.05507	0.8
56.96565	0.3
57.03440	0.7
61.02910	0.5
65.03926	0.5
67.05511	2.1
69.03430	13.6
69.07048	1.0
70.06584	0.3
71.04980	0.5
77.03915	0.6
79.05494	1.7
81.03069	0.2
81.03428	2.8
81.07056	2.3
82.24823	0.2
83.04959	0.8
83.08598	0.6
85.02886	1.3
85.06552	0.5
89.03900	0.5
91.05482	17.1
91.93661	0.3
93.03400	0.2
93.07044	1.6
95.04971	2.0
95.08589	1.1
97.02898	2.2
97.06548	0.6
97.10143	0.3
99.04440	0.6
103.05465	0.9
103.75945	0.3
105.03390	0.6
105.07031	2.0
107.04932	1.1
107.08573	1.0
109.02851	1.8
109.06515	0.6
109.10154	0.6
111.04436	0.4
111.08080	0.4
117.06987	0.6
119.04942	26.6
119.08586	1.3
121.02874	0.5
121.06523	0.4
121.10158	0.9
123.04493	0.5
123.08068	0.5
123.11694	0.4
125.09615	0.3
127.03917	6.2
129.03343	0.3
129.06975	0.4
131.04927	0.6
131.08540	0.9
132.02092	0.6
133.02841	0.7
133.06494	0.5
133.10112	0.8
135.04379	0.6
135.08003	0.4
135.11700	0.3
137.05977	0.9
141.06981	0.4
143.05658	2.4
145.02864	0.9
145.06435	0.6
145.10114	0.7
147.04411	24.7
147.11661	0.7
149.02325	0.5
149.09616	0.7
153.01816	1.0
157.03984	1.6
157.10072	0.5
159.04558	0.3
159.08093	0.3
159.11659	0.4
160.01616	0.3
161.05988	0.9
163.03839	0.5
163.11214	0.4
164.04716	0.7
167.07048	1.6
173.04494	0.4
173.05962	0.4
173.09488	0.3
175.03908	45.4
176.04373	0.4
177.05504	1.4
178.06119	0.3
179.06978	2.5
187.07414	0.3
187.11206	0.4
189.05421	0.4
191.06992	0.6
191.10631	0.5
192.04158	0.6
193.04872	0.3
193.08528	0.5
193.12277	0.7
203.14378	0.3
205.12234	0.3
207.06528	100.0
208.06776	0.7
211.13196	0.5
213.05441	0.5
215.10904	0.3
219.06512	0.8
225.07414	1.2
233.11874	0.3
235.05972	0.5
251.12733	0.3
261.07562	0.3
263.09122	0.8
267.15833	0.8
271.06021	20.4
273.07562	0.3
285.17035	0.4
287.05606	1.3
291.08682	2.4
301.07196	0.4
301.14148	0.3
333.09592	0.4
351.10721	10.0
369.11826	9.5
459.27509	0.6
477.28412	0.9
603.30829	0.3
621.31403	0.3
639.34296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
55.05503	2.6
55.65919	1.0
56.05017	2.1
57.03432	4.3
58.06593	2.7
61.02911	1.4
65.03928	1.9
67.05494	2.9
67.30902	1.1
68.99777	1.3
69.03432	7.1
69.07060	2.5
69.71869	7.1
70.06577	3.5
71.01359	1.8
71.04993	14.5
73.02927	1.7
79.05479	3.2
81.03394	4.5
81.07047	2.3
83.04983	3.1
84.04487	1.6
84.08138	2.2
85.02435	1.9
85.02910	27.0
86.09710	2.3
87.00855	1.6
87.06710	4.3
87.79533	1.1
91.05473	4.2
93.07049	2.1
95.04971	3.1
95.08599	3.0
97.02878	3.9
98.21452	2.1
99.04432	2.9
100.11263	1.3
103.05453	1.8
105.07022	3.4
105.07700	1.1
107.04980	3.0
107.08619	2.4
108.04557	1.0
109.02876	4.2
110.06072	1.2
111.04442	4.0
119.04935	3.9
119.08586	3.5
121.02869	49.3
121.06483	2.4
123.04449	1.4
124.07599	1.2
126.05518	1.8
127.03954	6.5
129.01950	1.0
129.05476	4.3
130.80591	1.0
131.04951	1.2
131.08595	1.2
133.06512	2.7
133.10114	2.8
134.05995	1.3
135.04407	2.7
135.11723	1.0
136.07532	2.3
137.05965	2.2
143.05652	100.0
144.06075	15.1
145.02841	4.8
145.05019	1.4
145.06334	1.2
146.05972	1.1
147.04407	3.7
147.06589	2.1
148.07539	5.3
150.05553	1.4
150.09143	1.5
151.11082	1.2
153.01828	40.8
153.05432	3.0
154.04985	6.8
160.07552	3.3
161.05940	2.3
162.05476	2.1
163.03970	6.0
164.07094	3.2
167.07011	6.1
169.87999	1.1
171.02927	1.6
173.06004	1.8
175.03860	2.7
175.14807	2.6
176.07120	3.7
177.05499	9.6
178.08630	10.6
181.04950	3.2
186.05460	1.5
187.04031	1.4
191.07019	1.4
192.06548	4.3
193.04903	1.4
194.04404	1.5
201.05443	2.0
206.04489	2.7
207.06519	3.7
210.07576	2.5
229.05006	1.5
231.06517	1.9
235.06049	1.3
241.04898	2.2
243.06364	5.2
245.04623	1.6
256.07257	1.9
257.08209	5.1
258.07529	7.5
259.06061	10.9
267.06601	6.7
267.09064	1.2
270.05060	1.9
270.07614	2.7
271.03052	2.3
271.06018	47.2
272.06326	1.8
284.09195	3.7
285.07578	6.8
286.07159	2.6
287.05515	45.9
288.05856	2.5
295.06039	16.0
298.04672	1.7
312.08636	29.1
313.07019	39.5
328.08090	1.8
330.06052	2.2
330.09760	33.8
331.08072	2.0
339.10928	2.2
340.71957	1.3
342.14682	1.9
425.27246	1.2
474.13708	1.9
475.12140	2.3
492.15118	5.3
500.13449	2.2
518.14435	1.3
535.15253	1.9
536.15375	4.4
578.22394	1.2
638.25574	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	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81989	0.6
63.21718	0.8
112.31302	0.7
117.29170	0.7
164.87645	0.7
343.39197	0.7
402.18579	1.1
403.19333	1.1
404.19934	1.3
415.19370	1.0
417.21201	1.7
419.22620	1.5
429.16998	1.1
430.17654	2.1
431.18710	2.5
443.18744	2.0
444.19424	2.2
445.20111	9.0
446.21045	2.4
447.21960	1.6
456.19604	0.9
457.20447	1.0
458.21014	6.2
459.21759	5.1
460.22534	6.5
461.19769	2.6
462.20792	0.8
472.22910	0.8
475.21210	2.6
476.22183	2.1
477.22882	1.2
491.24701	1.3
504.25073	1.1
517.22552	1.2
518.22766	3.9
533.25732	1.5
535.23639	1.2
545.25348	2.2
546.26324	1.6
549.25696	1.0
577.27496	2.2
605.27527	10.5
606.27972	1.4
608.50433	0.7
637.30225	100.0
638.30591	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	637.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01868	2.8
55.05504	4.4
57.03437	17.1
57.07076	24.9
59.04984	0.8
60.57900	0.5
61.02926	56.3
66.47017	0.5
67.05168	0.7
67.05499	7.8
67.58642	0.5
67.79745	0.6
69.03429	21.6
69.03808	1.2
69.07075	5.6
70.85747	1.0
71.01339	2.1
71.04995	2.5
71.05314	0.5
71.08633	20.5
73.02915	20.1
75.04466	1.2
79.05494	3.0
81.03417	17.1
81.07050	11.8
83.01327	1.2
83.04989	2.9
83.08617	9.7
85.02902	66.5
85.10180	13.1
87.04465	2.5
89.06011	0.5
91.03956	38.2
91.05473	1.6
93.07017	1.8
95.04958	1.5
95.08605	17.0
97.02891	58.6
97.10170	4.8
99.04453	9.4
99.11721	0.9
101.02376	6.0
103.03936	7.5
103.07587	0.8
105.07018	0.8
107.04977	1.0
107.08578	1.0
109.02877	11.5
109.06509	0.9
109.10155	8.4
111.04428	2.4
111.11694	1.4
115.03931	7.0
117.05481	2.2
117.06941	0.7
119.08566	1.3
121.06464	0.9
123.04395	0.6
123.11713	4.1
125.09610	0.6
125.13234	0.8
127.03917	27.2
129.05486	4.8
131.08525	1.0
132.89110	0.6
133.10146	0.6
137.13203	1.3
141.05507	0.6
143.08563	0.6
145.04955	15.4
145.10133	0.8
151.14796	0.8
153.05498	0.5
155.07085	0.9
159.06540	3.4
163.03876	0.6
163.06027	5.1
171.06609	1.2
173.09615	0.6
183.04883	0.6
183.06525	12.4
201.07562	7.2
219.08717	1.4
221.22813	0.6
236.40594	0.5
239.23697	19.6
257.24741	2.6
297.28015	0.6
313.27359	100.0
314.27814	1.6
331.28876	0.6
341.27023	4.3
347.67398	0.6
348.17294	1.5
349.17368	0.7
355.28458	3.6
364.78470	0.6
383.27863	1.9
385.29431	1.7
397.29541	1.3
421.29587	1.1
422.87634	0.6
439.30154	2.5
457.31631	11.4
475.32492	2.1
637.39514	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	637.2653
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
67.05484	0.7
69.65399	3.9
71.45426	0.5
73.51504	0.5
81.07038	1.2
89.31045	0.5
91.05419	0.6
93.07004	0.6
95.04929	0.7
98.20833	1.1
105.07020	0.7
107.60681	0.5
131.08578	0.6
211.12646	0.5
310.13315	0.6
363.16507	0.5
372.14005	0.5
377.17773	1.2
378.18539	1.2
384.36304	0.6
386.15570	1.0
387.16434	0.8
391.19193	1.8
392.19992	1.7
393.20715	2.4
399.16196	2.3
400.16714	2.8
401.17737	3.2
402.18555	0.9
407.22479	3.2
408.22693	0.7
411.16348	0.7
413.17853	3.2
414.18536	4.7
415.14542	0.7
415.19293	9.1
416.20352	0.9
419.18478	1.0
421.19986	2.4
425.17719	1.0
427.19699	1.3
428.20636	2.7
429.15768	1.0
429.21271	8.6
430.21783	3.0
431.18506	0.9
435.21783	2.0
439.19260	0.9
441.17218	1.7
442.18039	1.5
443.18326	3.5
443.22665	3.7
444.18613	4.7
445.20667	2.5
446.20822	0.7
447.17776	0.8
453.20789	0.7
455.18893	0.9
456.19498	1.9
457.20337	5.5
458.21030	4.8
471.22330	8.9
472.23239	4.9
473.19440	4.7
474.20468	1.2
475.21973	0.7
485.19806	3.4
486.20419	7.0
487.21619	3.4
488.22116	1.1
489.22531	1.9
490.19550	3.1
491.20737	0.8
498.20261	0.9
499.21402	8.9
500.22592	3.9
501.20609	0.6
502.19849	1.0
503.24783	4.7
513.18756	0.7
514.19916	1.4
516.21729	1.7
517.22314	3.7
521.25293	0.7
527.20728	3.1
528.21570	0.9
531.23969	12.6
541.21753	0.6
543.24182	1.5
544.21686	0.9
545.21924	0.8
549.25275	1.2
559.23401	100.0
560.24066	1.2
577.24835	0.7
587.22955	16.3
619.25482	96.5
620.25671	2.0
637.26605	10.8
637.41437	2.2
637.80328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05516	0.2
57.03426	0.3
59.06126	0.4
60.08156	0.3
67.05495	0.3
68.99782	0.2
69.03432	1.3
69.07092	0.3
70.06596	0.4
71.04985	0.8
72.08149	0.3
73.02897	0.2
74.06075	0.2
76.02229	0.2
79.05495	0.4
81.03421	1.6
81.07060	0.3
82.89619	0.2
83.02431	0.2
83.04950	0.2
84.08141	0.3
85.02908	2.6
87.00837	0.2
87.06713	3.3
91.05441	0.3
95.05009	0.2
95.08614	0.2
97.02922	0.9
98.20722	0.4
99.04457	0.3
105.06973	0.2
107.04968	0.3
109.02896	1.6
109.10175	0.2
111.04448	0.2
113.04618	0.2
119.04977	0.2
119.08579	0.2
120.08124	0.2
121.02880	1.4
121.10181	0.2
123.04474	0.3
126.03006	0.3
127.03928	1.4
127.99584	0.2
129.05479	0.3
135.04439	0.2
136.07562	0.7
137.02347	0.3
137.05995	0.2
141.04076	0.7
142.04832	0.4
143.05646	100.0
144.06015	0.2
145.02910	0.3
145.04935	0.4
145.10182	0.2
147.04420	0.3
149.06021	0.3
151.03958	0.4
153.01837	1.2
159.02919	0.3
163.03831	0.2
164.07057	0.7
165.01892	0.2
165.05550	0.2
167.07079	0.2
175.03940	0.2
176.07114	0.2
177.05502	0.7
178.08511	0.2
181.04927	0.2
185.06689	0.6
187.41866	0.2
207.06543	0.5
209.06490	0.2
213.03931	0.3
216.53767	0.2
231.04851	0.3
243.06454	0.2
259.05942	0.2
269.04187	0.3
270.05142	0.3
271.05984	1.5
272.06308	0.2
283.05899	0.4
285.07544	0.2
286.04535	0.2
286.07376	0.4
287.05331	2.6
288.05865	0.2
295.05939	0.3
305.11008	1.6
310.07156	0.3
311.07870	0.3
312.05826	0.8
312.08786	0.5
313.07028	1.3
328.08167	1.0
329.08621	1.3
330.09491	0.9
366.24969	0.2
373.09943	1.7
379.97577	0.2
400.15729	0.2
433.11880	0.6
475.20334	0.2
481.12122	0.2
491.14352	0.2
497.33115	0.2
499.13004	1.6
517.14026	1.6
535.15234	5.7
539.80109	0.2
553.16101	0.3
582.98993	0.2
637.25189	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	636.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21120	1.0
52.62178	1.1
53.03934	2.9
55.01863	3.0
55.05513	13.5
57.03439	12.8
59.04991	3.8
61.02909	3.8
62.62387	1.0
65.03944	2.6
67.05505	72.1
68.99796	1.1
69.03111	0.9
69.03432	6.7
69.07074	6.7
71.04972	6.2
71.60394	1.5
73.02907	2.2
73.06542	1.2
79.05492	18.3
81.03418	38.7
81.07061	25.1
83.04992	10.8
83.08621	15.8
85.02909	19.7
85.06535	3.2
91.03944	3.3
91.05481	25.3
92.05832	1.3
93.07043	14.4
95.04969	17.5
95.08616	13.1
97.02908	6.9
97.06535	3.6
97.10139	2.5
105.07035	15.5
107.04952	6.1
107.08609	8.5
108.34283	1.1
109.02890	2.0
109.06514	4.6
109.10157	61.9
111.04462	2.0
111.08103	8.0
112.80975	0.9
113.05990	1.6
117.07043	2.6
119.04977	1.7
119.08588	15.9
121.06497	3.3
121.10158	6.7
123.04407	1.4
123.08083	1.4
123.11720	1.4
125.09593	1.7
127.03901	2.4
129.07007	7.0
131.08588	7.8
133.06488	3.7
133.10130	8.5
135.08037	1.4
135.11694	2.5
137.05991	2.8
137.09612	4.6
142.07797	1.3
143.05620	1.6
145.02872	2.3
145.04985	1.1
145.10098	2.1
147.04323	2.9
147.07944	2.3
147.11703	10.0
149.09589	5.5
149.13263	1.4
151.11180	2.0
155.10686	2.8
157.10135	9.3
159.08061	1.9
161.05983	2.1
162.41084	1.1
163.11163	2.2
165.12711	2.9
167.07014	4.9
168.07478	1.4
173.11726	16.4
175.11177	9.1
177.05455	3.9
178.05791	1.1
187.11081	1.2
193.10609	1.9
193.12253	23.5
193.13855	2.0
207.06512	2.6
211.13298	36.4
229.14348	58.6
230.14627	1.1
251.11493	1.0
267.15903	13.4
277.21591	3.3
285.16992	26.9
287.05722	1.1
335.25787	2.1
347.21817	1.1
350.23264	1.1
421.25778	16.1
439.26920	100.0
440.27036	3.6
540.37378	1.0
541.96289	1.2
636.40778	2.3
637.49481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
57.03446	2.0
60.17153	0.8
65.63956	0.8
69.03397	1.4
70.06598	1.9
71.04995	10.3
71.60656	1.0
81.03434	1.3
83.04981	1.9
85.02901	15.2
87.04497	1.1
95.04945	0.9
97.02894	1.2
99.04444	1.1
109.02874	1.3
111.04459	1.2
119.08600	1.0
123.59749	0.8
127.03887	1.4
129.05505	1.9
135.04417	1.5
137.02319	1.5
143.05640	10.2
144.05927	1.6
145.02878	1.3
147.04453	1.3
147.06549	0.9
152.07196	1.0
153.01836	8.5
162.05515	2.1
170.08241	1.0
171.03050	1.0
176.07088	3.7
177.05498	1.2
188.09200	2.5
192.06560	1.3
202.04999	17.1
204.08759	1.0
207.06599	1.3
220.06012	5.2
229.04912	1.3
237.05478	3.2
241.04988	1.1
255.06528	3.6
257.04529	6.4
258.05185	1.5
259.05975	1.8
265.04929	6.3
271.06168	1.8
283.06018	12.7
285.03973	4.7
286.04684	4.2
286.07419	1.8
287.05499	39.1
293.04587	4.2
300.08810	1.8
310.07047	4.0
311.05502	34.5
312.04935	2.4
313.05988	2.7
326.06635	2.2
328.08157	100.0
447.09418	1.5
449.10611	2.3
473.10852	2.1
490.13483	19.8
592.20532	2.4
625.91821	1.0
636.18988	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	635.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01869	0.2
68.99796	0.2
69.03426	1.0
71.60759	0.2
73.02911	0.1
73.62678	0.1
81.03420	1.3
83.02440	0.1
84.08160	0.2
85.02906	1.7
87.00819	0.4
87.06717	3.4
91.05484	0.3
97.02889	1.1
99.04449	0.5
101.02402	0.2
107.04929	0.2
109.02898	1.6
111.04418	0.2
113.41970	0.1
119.04928	0.2
121.06495	0.3
125.04610	0.2
127.03903	1.4
129.01819	0.2
137.05972	0.2
141.01787	0.2
141.04065	1.2
142.04865	0.3
142.46289	0.2
143.05643	100.0
144.05962	0.5
145.02902	0.2
145.04984	0.4
147.04437	0.3
149.02312	0.1
150.05542	0.3
152.07155	0.2
153.37164	0.2
155.05630	0.3
161.06123	0.1
175.03989	0.4
177.05482	0.6
185.06702	0.8
207.06509	0.5
209.06686	0.2
213.03879	0.4
231.05040	0.2
251.08070	0.2
287.09869	0.2
290.73584	0.1
303.05045	0.2
305.10880	1.9
311.05542	1.3
320.05814	0.2
328.08185	0.6
357.08441	0.2
369.11923	0.2
373.09985	2.1
433.11975	0.7
451.15457	0.2
481.12018	0.3
493.13794	0.2
499.13071	1.8
517.14093	1.9
535.15173	5.8
553.15826	0.3
591.20062	0.2
617.22424	0.2
635.14734	1.7
635.23950	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	633.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
65.03906	0.6
67.05505	4.5
69.03395	1.0
69.07030	1.4
70.63624	1.6
79.05444	0.9
81.03398	0.8
81.07015	1.1
82.77766	0.5
83.04950	0.7
84.08089	0.6
85.02860	0.8
91.05437	1.7
93.07013	0.8
94.06561	5.4
95.04931	1.1
95.08556	0.8
97.02825	0.9
98.20824	0.6
105.07014	0.8
107.04949	0.9
107.08584	0.7
108.08086	1.1
111.04388	0.6
115.72103	0.5
118.06501	0.5
120.08060	1.3
122.06031	16.1
124.07541	1.4
126.02769	0.5
127.03833	0.6
131.04924	0.5
134.06036	2.7
136.07571	9.0
137.05951	1.0
138.09106	1.8
140.07019	2.2
143.05632	3.3
145.02795	0.9
145.10030	0.8
146.05965	1.5
147.04370	2.1
148.07532	1.6
152.07037	0.7
162.05396	0.7
163.03842	0.5
164.05833	0.8
164.07059	8.2
166.08661	4.9
167.07037	1.6
172.07532	1.0
174.05501	0.8
174.09077	0.7
175.03966	0.7
176.07042	0.8
177.05423	1.5
182.09639	0.5
190.04958	0.8
199.08701	0.6
204.06494	0.7
206.08112	0.8
207.06509	1.3
209.10519	0.6
210.11307	0.7
211.08580	1.4
211.12155	0.6
213.10210	1.3
213.52594	0.5
215.11679	0.6
220.09773	0.6
221.10759	1.0
222.11232	3.1
223.08620	6.4
223.12285	2.0
224.13054	2.2
225.10207	12.8
225.13698	1.0
227.11800	1.4
232.10085	0.7
233.10677	0.7
234.11560	0.9
235.08505	3.4
235.12123	3.3
236.09286	2.6
236.12965	1.2
237.10246	7.1
237.13742	4.2
238.10928	5.0
239.11792	6.3
239.15369	0.9
241.09798	0.7
241.13316	0.9
247.12366	1.6
248.09146	3.8
248.13098	0.8
249.10216	11.4
249.12781	0.7
249.13925	0.8
250.10950	11.5
251.08110	5.5
251.11778	31.0
252.08789	0.8
252.10155	0.6
252.12520	5.1
253.09608	0.5
253.13350	3.0
255.11385	0.7
255.14828	1.4
261.10141	0.7
262.10986	1.5
263.07736	0.6
263.09052	0.4
263.11792	26.2
264.08981	1.9
264.12564	11.7
265.09760	8.1
265.13333	37.8
266.10562	2.1
266.14124	2.6
267.11234	1.8
267.14902	3.8
269.12939	1.0
275.11777	1.1
276.09924	0.6
277.09705	3.6
277.13022	1.1
278.10437	4.8
279.11304	11.0
280.12064	1.7
281.09787	1.0
281.12842	4.6
282.13550	1.1
283.10812	9.5
283.14020	1.1
287.05453	4.0
287.13980	0.8
291.11270	5.1
292.11984	1.5
293.09708	0.5
293.12811	13.8
294.11145	0.9
294.13629	4.3
295.10791	5.5
295.14429	2.6
296.11557	8.7
297.12366	5.5
298.13068	1.8
307.10797	0.8
309.12338	43.4
310.13037	5.9
311.13885	46.1
312.14572	1.2
319.10736	4.7
319.14090	0.7
320.11539	2.0
321.12283	5.9
323.10196	2.1
323.13782	0.8
324.11072	3.3
325.11823	2.1
327.13333	0.8
331.12970	0.6
335.13815	0.7
336.14563	0.6
337.11804	28.6
338.12592	10.4
339.13385	35.2
341.14874	0.9
344.13928	1.2
351.13266	0.7
353.15048	1.5
356.13663	1.1
357.14398	5.9
358.15552	1.3
359.16342	0.9
360.16946	0.7
369.14438	60.8
370.15253	3.5
371.16003	82.8
372.16876	2.1
376.20200	0.7
386.18768	1.5
387.15875	0.6
400.16528	0.8
404.19949	1.0
414.18069	3.0
416.19702	13.8
432.19183	25.8
442.17679	3.9
452.21811	0.6
460.18671	100.0
461.18942	1.4
462.20309	3.1
466.19693	0.6
471.22052	1.5
474.20319	1.1
478.19666	3.6
480.14282	0.7
480.21338	24.4
492.21295	79.7
493.21640	1.1
497.21329	0.7
510.22226	1.0
511.22964	0.9
512.24097	0.6
583.25421	2.2
601.26563	16.8
633.27338	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	633.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.0
59.94553	1.0
62.60424	0.9
63.97261	0.9
63.97675	0.9
67.05501	1.6
69.03404	1.1
69.07069	2.2
71.12009	1.7
71.12379	2.2
83.40949	0.9
90.23878	0.9
91.05463	0.9
93.07034	1.0
94.06590	2.1
95.04980	1.1
97.02944	1.1
97.06532	0.8
107.08596	1.8
108.08136	1.2
120.08076	1.4
122.06026	3.3
133.10101	0.9
134.06096	1.4
136.07585	14.8
137.05942	0.9
140.07088	6.7
143.05672	1.9
146.06021	7.7
148.07594	6.3
150.09180	1.6
152.07153	2.3
154.90067	1.0
164.07050	12.0
166.08629	2.7
167.07071	1.3
172.03978	2.0
174.05489	3.3
176.07080	17.9
190.05002	1.4
192.06656	1.0
204.06570	1.5
207.06569	1.0
211.12285	1.6
211.31339	0.9
217.11116	1.0
221.10675	1.7
222.11302	1.1
223.12323	1.6
224.09435	1.5
224.13239	0.9
225.10233	3.6
227.11723	1.0
229.13397	1.0
235.12280	3.1
236.13043	1.8
237.10202	5.8
237.13777	1.1
238.10938	10.0
239.11804	10.1
249.10306	2.1
250.10962	2.0
251.11711	7.7
252.12416	1.7
253.13351	2.8
255.11467	1.4
261.12338	1.6
263.11832	5.6
264.09195	1.2
264.12500	1.0
265.09872	3.1
265.13388	13.0
266.10504	2.3
267.11285	3.3
271.14413	6.5
275.11844	1.9
277.10031	1.5
277.13321	3.5
278.10495	3.4
279.11279	100.0
280.12097	7.8
281.12881	2.6
283.10608	1.2
283.14417	1.6
284.11490	1.1
285.12253	2.5
287.05508	2.3
287.13950	4.0
291.11267	2.5
293.12897	4.0
295.10831	1.8
295.14291	1.8
296.11783	1.6
297.12344	51.1
298.04709	2.2
298.13190	5.8
299.13907	1.0
309.07501	0.9
309.08490	1.2
309.12338	16.4
310.13071	7.3
311.13828	4.4
313.07120	3.6
313.11844	3.1
321.12262	12.7
324.11115	2.1
325.11893	3.5
331.12967	2.7
337.07620	0.9
337.11832	25.5
338.12540	10.7
339.13403	88.2
340.14209	2.6
352.09225	2.4
362.55624	1.0
367.11798	27.0
369.14786	4.4
371.16074	19.1
374.18542	1.1
385.12750	2.0
390.18533	1.0
400.16586	2.6
408.26932	1.0
418.17422	1.1
424.16833	1.2
432.19263	1.0
438.20380	4.5
442.17706	3.6
460.18692	48.3
461.19125	2.5
464.17960	1.1
478.13290	2.0
478.19800	36.5
478.26660	2.0
479.20416	4.2
480.21408	7.9
492.21201	2.8
510.22256	3.5
511.23193	1.1
582.69104	1.1
583.25677	2.2
601.26593	93.3
633.29272	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	633.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48127	0.8
51.87299	0.7
55.05501	0.7
67.05499	5.4
69.03423	1.3
69.07063	1.6
70.06581	0.8
71.04994	1.1
71.60989	1.1
79.05496	1.5
81.03407	1.8
81.07061	1.8
84.76756	0.6
85.02884	2.0
87.13142	0.6
91.05486	2.9
93.07050	1.7
93.72212	0.7
94.06570	4.3
95.04975	2.2
95.08616	1.3
97.02894	1.7
97.06522	0.7
99.04478	0.7
105.07020	0.9
107.08583	1.1
108.08137	1.2
109.02896	1.8
117.07022	0.7
119.08562	1.4
120.08122	1.5
121.06498	1.1
121.10154	0.9
122.06031	16.0
123.08125	1.1
124.07610	0.9
127.03908	1.0
133.10179	0.8
134.05992	1.9
136.07578	9.4
137.05983	1.4
138.09134	1.6
140.07060	2.7
143.05652	3.0
145.02846	1.3
145.06461	0.8
146.06010	1.7
147.04395	3.6
148.07617	1.6
152.07127	1.0
153.01921	1.4
157.24529	0.8
162.05507	1.4
162.43834	0.7
163.03929	0.9
164.07054	7.5
166.08629	6.0
167.07051	3.2
171.02899	0.9
172.07591	0.9
174.05591	1.4
174.09103	0.9
177.05530	1.7
207.06546	2.0
207.50038	0.7
208.09749	1.0
211.08786	0.9
213.10115	1.1
221.10817	2.4
222.09511	1.1
222.11333	3.8
223.08635	5.8
223.12384	2.4
224.10962	0.9
224.13078	2.1
225.10223	14.3
225.13689	0.9
227.11891	1.5
233.10881	0.7
235.08539	3.5
235.12343	2.0
236.09457	2.5
236.13171	1.1
237.10245	7.1
237.13852	5.9
238.11024	4.8
239.11775	6.5
239.15495	1.1
240.12669	0.9
241.09720	0.9
243.11163	0.7
247.12315	1.2
248.09204	5.1
249.10219	11.1
249.13966	1.1
250.10989	12.6
251.08151	5.9
251.11798	29.5
252.08743	0.8
252.12570	4.9
253.13411	3.6
254.10602	0.8
255.14967	1.4
261.10211	0.9
262.11148	0.9
263.11804	24.6
263.57861	0.7
264.09427	1.1
264.12567	11.6
265.09842	6.8
265.13397	36.3
266.10638	1.9
266.14215	2.2
267.11353	1.5
267.14941	4.6
275.11774	1.4
276.10049	1.0
277.09790	3.4
277.13422	1.6
278.10480	4.1
279.11270	11.2
280.12085	1.1
281.12943	6.3
282.13782	1.1
283.10855	8.4
283.14227	1.2
285.12314	1.0
287.05527	18.3
288.05762	1.2
291.11252	5.2
292.12048	1.8
293.09607	1.3
293.12854	12.7
294.13733	3.2
295.10794	4.4
295.14426	2.6
296.11600	9.0
297.12308	6.1
298.13168	1.7
307.10950	0.9
309.12357	40.4
310.13034	5.5
311.13907	45.0
313.12015	1.0
319.10770	4.2
319.14258	1.2
320.11569	1.7
321.12347	4.8
323.10141	1.3
323.13995	0.9
324.11075	3.6
325.11670	2.0
337.11823	26.9
338.12619	9.1
339.13400	31.3
341.15344	1.0
344.13980	1.3
351.13620	0.9
353.15085	1.3
355.12628	0.8
356.13751	1.0
357.14407	5.9
358.15506	1.1
359.16275	1.4
369.14468	62.6
370.15173	3.1
371.16043	78.3
372.17117	1.9
386.18579	2.1
388.20212	1.0
396.17087	0.9
400.16510	1.0
403.18723	0.9
414.18353	3.4
416.19684	13.2
432.19223	25.0
442.17706	3.9
460.18704	100.0
461.19150	0.9
462.20361	4.0
478.19846	3.5
480.21313	23.5
492.21326	82.0
493.21429	1.6
510.22409	1.6
557.27368	0.9
583.25574	2.7
601.26569	19.6
623.52362	0.8
633.26208	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	633.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12381	0.7
56.96576	1.0
67.05506	3.1
69.03430	3.1
69.07060	4.1
69.74086	3.0
69.74515	3.3
70.06584	1.3
79.05495	2.2
81.03420	1.6
81.07045	3.7
85.02892	2.7
91.05481	3.9
93.07066	2.9
94.06560	3.9
95.04989	2.2
95.08595	1.3
97.02890	3.0
97.06541	1.1
103.05480	0.9
104.10403	1.1
105.07025	2.6
106.06544	1.4
107.04964	1.2
107.08626	2.2
109.02874	1.2
109.10143	1.2
119.04948	1.4
119.08608	2.0
120.04435	1.1
120.08127	2.2
121.06462	1.0
121.10104	2.0
122.06017	10.4
125.67664	1.0
127.03891	1.5
131.04950	1.0
133.10181	1.1
134.06020	2.9
136.07579	16.2
137.05981	2.0
140.07068	13.9
143.05644	5.2
144.04463	1.0
145.02831	1.6
145.06523	1.0
146.06021	8.5
147.04401	1.9
148.07576	9.1
149.09595	1.6
150.09081	1.2
151.07611	1.1
152.07092	3.4
162.05495	1.2
163.03900	1.1
164.07051	14.2
166.08636	11.4
167.07080	3.0
172.03935	6.8
172.05197	1.0
174.05501	6.1
175.03954	1.8
176.07062	15.7
177.05458	2.5
190.05026	2.8
192.06566	1.4
197.10706	1.3
201.05495	1.2
204.06558	8.2
206.08125	2.2
207.06534	2.2
208.09732	2.5
209.10751	1.8
210.11504	1.5
211.12311	2.8
213.10324	1.2
218.08221	1.1
221.10771	2.2
223.12401	2.3
224.09399	1.5
225.10272	4.2
227.11710	2.6
235.08646	1.4
235.12355	4.2
235.71219	0.9
236.12981	1.5
237.10133	9.8
237.13799	2.1
238.11050	14.0
239.11792	15.2
240.12595	1.4
246.07521	0.9
248.09383	2.6
249.10181	6.2
250.11053	3.7
251.11771	13.8
252.12465	2.0
253.13406	4.1
255.11446	1.3
261.12347	1.6
262.11087	1.0
263.08133	0.9
263.08710	1.1
263.11801	13.5
264.08722	3.1
264.12598	2.8
265.09811	6.5
265.13385	25.9
266.10532	1.9
266.14154	1.7
267.11209	4.5
269.12781	1.6
271.06198	1.4
271.11218	1.5
271.14258	7.5
275.11679	1.4
277.09818	3.3
277.13354	2.5
278.10580	3.6
279.11273	100.0
280.12109	8.5
281.12936	4.5
282.13519	1.2
283.05991	10.2
283.10873	2.5
283.14355	2.0
284.11514	1.1
285.12415	3.1
287.05560	1.7
287.13931	8.7
289.15338	1.4
291.11328	4.2
292.12167	1.2
293.12839	7.3
294.13638	2.1
295.10773	5.5
295.14398	2.5
296.11722	2.9
297.12347	53.3
298.04727	2.3
298.13116	7.0
299.14041	1.2
301.07172	1.2
309.08670	1.9
309.12335	36.4
310.13144	14.2
311.13864	7.4
313.07062	4.0
313.11697	5.9
315.13504	1.0
319.10645	4.7
321.12390	12.1
323.10233	1.1
324.11099	2.2
325.11865	6.1
331.12839	4.7
337.07666	1.3
337.11807	58.8
338.12646	19.0
339.13394	69.3
340.14279	2.7
341.15823	1.2
345.14590	2.8
352.09503	1.4
357.14661	1.1
360.16998	1.2
367.11816	18.2
369.14447	13.2
370.15213	2.1
371.16064	41.1
372.16779	1.6
383.26642	1.2
385.12860	5.3
387.15494	1.2
392.19601	1.6
400.16528	3.5
418.17657	1.8
432.19238	2.8
437.19214	1.1
438.20169	4.6
442.17664	3.5
450.20236	1.5
457.31152	1.9
460.18686	65.7
461.19763	2.6
462.20300	1.4
464.18188	1.6
465.18771	1.3
466.19498	2.1
478.19705	41.7
479.20538	3.2
480.21365	12.8
492.21274	10.9
496.20703	2.5
510.22336	15.8
583.25378	3.0
601.26550	47.1
633.35675	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	633.2919
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
55.05519	1.0
67.05507	2.7
68.98832	0.5
69.03424	1.3
69.07069	1.8
69.54129	4.0
79.05499	1.1
81.03428	1.1
81.07057	1.7
83.04984	0.7
85.02889	0.8
91.05487	2.6
93.07049	1.9
94.06594	0.6
95.04970	1.2
95.08605	1.3
97.02897	1.0
98.21491	0.9
105.07027	1.7
106.42919	0.5
107.04945	0.7
107.08596	1.4
107.37430	0.5
108.08098	0.9
109.02911	0.8
109.06506	1.2
109.10174	1.0
112.67804	0.5
117.03391	0.6
117.07000	0.6
119.04910	0.9
119.08600	1.2
120.08118	1.2
121.10137	0.6
122.06046	5.8
122.13451	0.5
127.03894	0.9
133.02846	0.5
133.10164	0.9
134.06038	0.9
135.11650	0.6
136.06120	0.6
136.07587	4.2
137.05986	1.1
140.07089	1.5
142.48888	0.5
143.05641	1.1
145.10205	1.0
146.06020	1.7
147.04448	0.8
147.11687	1.1
148.07600	1.3
157.10162	0.6
159.11720	0.7
167.07062	2.5
174.09186	1.0
175.03943	0.6
177.05525	0.9
188.09349	0.5
195.37534	0.5
198.09244	0.7
199.08710	0.9
201.05486	0.8
207.06541	1.0
211.08693	1.5
211.12099	0.6
213.10240	1.8
213.76418	0.5
221.10789	0.7
223.08626	0.6
223.12321	1.1
225.10298	2.2
227.08276	0.9
227.11728	2.8
235.08784	1.5
235.12219	0.5
236.09479	1.8
236.13077	0.6
237.10255	3.3
238.11110	1.2
239.11949	2.9
243.67467	0.5
248.09457	1.2
249.10246	6.8
250.10936	2.7
251.11803	8.1
252.08878	0.7
252.12624	2.1
253.09689	1.3
253.13359	2.3
255.11336	0.7
263.11810	3.7
264.12589	1.7
265.10190	0.9
265.13428	4.7
266.10602	0.5
266.14120	1.9
267.11389	1.9
267.14890	1.2
269.12833	1.5
271.05786	0.6
277.09836	1.5
278.10468	0.8
279.11212	3.9
281.12869	1.8
283.10797	1.1
284.11774	0.7
285.12408	1.6
287.05698	1.9
287.13953	2.3
289.12152	0.6
291.11273	1.7
293.12903	1.4
295.10779	1.4
295.14224	0.9
296.11700	2.4
297.12320	4.6
298.13300	0.5
299.05444	2.7
301.13297	0.9
309.12244	3.5
310.13071	1.5
311.13892	3.9
313.11804	1.0
315.14041	0.8
316.14603	1.7
317.12051	0.7
323.09872	0.6
324.11206	0.9
325.11722	1.1
328.14621	1.1
329.15887	0.8
330.16077	1.4
331.12854	0.7
337.11771	1.0
339.13541	1.1
340.14401	0.9
342.16232	1.2
343.13538	0.9
344.13870	5.4
344.17563	0.9
345.14536	0.7
346.15756	0.8
356.14081	1.4
357.14963	1.6
358.15536	2.8
359.16351	2.1
360.17099	1.9
361.18320	0.8
368.17703	0.8
369.14896	2.6
370.15579	1.6
371.16373	1.7
372.17172	3.5
373.18042	1.3
374.18646	1.2
375.19638	0.8
376.20291	1.2
385.17850	1.6
386.14813	0.8
386.18753	5.9
387.15488	0.7
388.20120	1.1
396.16504	0.6
399.15894	1.0
400.16568	1.1
404.19830	0.6
414.18121	6.6
415.16959	0.8
416.19669	0.6
419.18246	0.8
432.19220	38.8
433.19901	3.5
434.20612	0.7
442.17850	1.6
450.20221	1.1
460.18692	7.6
474.20267	0.9
478.20135	0.7
492.21310	100.0
493.21671	2.1
555.26233	1.4
573.27002	12.2
580.43652	0.6
601.26660	10.9
609.62933	0.6
633.29077	3.4
633.39337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.05499	0.9
61.02909	0.6
63.99215	0.5
67.05499	2.1
69.03426	1.1
69.07056	1.4
69.55212	1.4
69.55637	2.1
74.08726	0.4
79.05486	1.2
81.03413	1.1
81.07050	1.7
85.02904	0.9
91.05463	2.2
93.07037	1.8
94.06562	1.4
95.04980	0.8
95.08593	1.5
97.02912	0.4
97.06545	0.5
105.07032	1.6
107.04974	0.5
107.08605	1.0
109.06499	0.6
109.10152	0.8
117.07008	0.8
119.04910	0.7
119.08571	0.8
120.08112	1.3
121.06442	0.5
121.10172	0.7
122.06039	4.3
123.07985	0.5
127.03922	0.6
131.08586	0.7
133.10085	0.7
134.06013	1.0
135.08029	0.6
136.06212	0.5
136.07608	2.2
140.07097	0.9
143.05714	0.7
144.08084	0.8
146.05994	1.2
146.09659	0.6
147.04449	0.6
147.11610	0.6
148.07593	0.9
157.10210	0.6
167.07074	1.4
171.09167	0.5
172.07538	0.7
174.05515	0.8
174.06909	0.5
174.09050	0.7
176.07094	0.5
177.05373	0.9
189.10254	0.5
199.08667	0.6
199.12297	1.0
204.06541	1.0
210.09198	0.5
211.08702	1.0
212.09384	1.0
213.10292	1.4
215.11722	0.5
222.11510	0.9
223.08705	0.8
223.12292	0.9
224.09290	0.5
225.10246	1.8
226.11075	0.6
227.08308	0.9
227.11739	4.9
234.84511	0.5
235.08641	0.9
235.12607	0.5
236.09396	0.9
237.10286	2.6
238.11079	0.5
239.11774	2.0
241.13318	0.5
249.10262	4.3
250.11041	1.4
251.11795	6.5
252.12610	1.4
253.09700	1.0
253.13333	0.9
255.11472	0.7
263.11819	3.7
264.12537	1.3
265.09995	2.3
265.13257	3.2
266.14130	1.5
267.11362	1.3
269.12891	1.4
277.09656	0.7
278.10425	0.6
279.11176	3.0
281.12869	1.5
283.10880	0.8
285.12357	1.1
287.13953	4.2
288.14847	0.6
291.11322	1.1
292.11951	0.6
293.12796	0.8
295.10779	1.1
295.14349	0.6
296.11475	2.8
297.12296	3.9
301.13181	0.6
309.09271	0.5
309.12274	2.6
310.13089	1.0
311.14087	2.9
313.12613	0.6
314.13416	0.5
314.28323	0.5
315.13947	1.0
316.14667	1.0
323.10623	0.6
325.12900	0.5
327.14526	0.8
328.15063	0.5
329.16095	0.5
330.16144	1.3
331.13220	0.5
337.11948	1.4
338.12622	0.9
339.13434	1.2
342.16193	1.0
343.13242	0.6
344.13971	4.6
344.17389	0.8
345.14645	0.8
346.15488	0.6
346.19131	0.5
354.16135	0.7
356.13971	1.6
357.14667	1.7
358.15311	2.4
359.16290	1.9
360.17142	1.2
368.17932	0.7
369.14346	2.4
370.15363	1.1
371.16254	1.2
372.13034	0.6
372.17279	2.5
373.17889	0.8
374.18707	0.9
375.19232	0.6
376.20117	0.6
385.18143	1.1
386.14890	0.5
386.18771	4.1
387.16000	1.3
388.20166	1.3
389.18286	1.1
399.17050	0.6
400.16428	0.8
414.18066	5.1
418.17404	0.8
419.18259	0.5
432.19223	23.0
433.19940	1.4
442.17377	1.2
460.18680	6.1
492.21295	100.0
493.21375	2.5
508.21164	0.6
573.27142	6.1
601.26691	7.0
633.28479	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	633.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61436	0.1
53.03933	0.2
53.64579	0.1
55.01874	0.3
55.05503	0.2
55.11699	0.1
56.96565	0.2
57.03440	0.1
65.03937	0.2
67.05502	0.7
68.99801	0.2
69.03445	0.7
69.07060	0.5
69.50429	0.4
69.50854	0.7
69.73664	0.1
70.06586	0.2
71.04959	0.2
79.05486	0.4
81.03411	0.6
81.07045	0.6
84.08132	0.2
85.02898	1.0
86.09694	0.2
87.00848	0.3
91.05470	0.5
93.07014	0.4
95.04969	0.4
95.08611	0.4
97.02894	0.8
99.04457	0.2
100.01778	0.1
105.03404	0.2
105.07024	0.3
107.04959	0.4
107.08566	0.3
109.02897	0.6
109.06460	0.1
109.10122	0.2
117.03398	0.2
117.07018	0.3
119.04980	0.3
119.08572	0.2
120.08113	0.1
121.06499	0.3
121.10147	0.2
122.06017	0.2
123.08055	0.2
125.09650	0.1
127.03893	0.9
127.05475	0.2
128.06250	0.2
131.08643	0.2
133.10089	0.2
134.03619	0.5
135.04402	0.3
136.06143	0.3
137.02411	0.2
137.05994	0.4
140.07085	0.5
143.05667	1.0
145.02832	0.2
145.04968	0.2
145.06424	0.2
145.10233	0.2
147.04424	0.6
149.02394	0.2
149.05930	0.3
151.03883	0.3
153.01828	0.6
159.02895	0.3
161.02367	0.2
161.09561	0.2
162.16235	0.1
163.03886	0.2
164.07085	0.2
165.01826	0.2
165.05504	0.3
165.06883	0.1
166.08563	0.2
167.07042	0.8
167.08275	0.1
173.05901	0.1
175.03912	0.4
176.01041	0.2
176.04730	0.2
177.01819	0.3
177.05496	0.5
181.06490	0.2
191.07028	0.2
194.02147	0.3
201.05450	0.8
203.03418	0.6
205.10231	0.2
206.08232	0.1
207.02885	0.2
207.06471	0.3
208.03662	0.3
215.06953	0.2
218.05756	0.4
219.06528	0.5
221.04413	1.4
225.10289	0.2
231.04630	0.1
233.09749	0.3
235.07405	0.2
236.06866	0.6
237.05469	0.3
237.10164	0.1
239.11723	0.2
241.04974	0.4
249.05748	0.1
249.09404	0.1
251.11819	0.4
253.04982	0.5
253.08560	0.3
254.05826	0.2
259.05975	0.2
261.09171	0.3
263.07068	0.3
263.11746	0.3
265.04926	0.4
265.09070	0.2
265.13321	0.7
267.06436	0.8
268.07425	0.2
268.10934	0.2
269.04327	0.4
269.07959	0.3
270.05286	0.4
271.06091	0.3
277.08591	0.7
278.09412	0.4
279.06448	0.2
279.11066	0.3
281.05014	0.2
281.08121	1.6
281.12747	0.2
282.05215	0.7
282.08347	0.1
286.04968	0.1
287.05496	8.7
289.08661	0.3
291.06479	0.3
292.07336	0.3
293.04596	0.3
293.07922	0.2
295.06027	1.3
295.09647	0.7
296.07065	0.2
296.10544	0.4
297.07608	1.4
298.04721	6.5
299.05222	0.1
301.06985	0.4
303.04971	0.2
306.08923	0.2
307.09778	0.5
309.04089	0.3
309.07495	3.2
309.12442	0.3
310.04745	1.4
310.08197	0.3
311.05603	0.2
311.09164	0.5
311.13837	0.7
313.07059	12.9
317.08127	0.5
319.05905	0.3
320.06683	0.2
321.07727	0.3
321.11356	0.4
322.04797	0.3
323.05499	1.1
323.08859	0.2
324.06320	0.8
324.09863	0.2
325.07080	3.3
325.10767	1.0
327.08728	0.2
333.07587	0.5
334.08356	2.2
335.09018	0.7
336.06219	0.2
337.07074	6.9
337.11096	0.3
338.07834	1.8
339.08557	1.1
339.13010	1.3
349.10709	3.2
351.08572	1.1
352.09415	9.8
353.10083	0.3
357.14636	0.2
367.11761	100.0
368.12064	2.3
369.14337	0.6
370.15131	0.2
371.15967	1.9
385.12689	1.0
432.18982	0.3
460.18787	0.9
462.20303	0.2
478.19815	0.2
480.21124	1.0
486.23529	0.3
492.21298	1.4
510.22302	0.2
511.22919	0.2
601.26978	0.8
615.17120	1.2
633.35498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38692	0.2
57.07838	0.2
61.02920	0.3
63.36404	0.2
67.05491	0.7
69.03412	0.7
69.07062	0.2
69.95177	0.9
79.05521	0.2
81.03392	0.7
81.07060	0.2
85.02895	0.8
86.73333	0.1
87.00833	0.5
91.05469	0.2
92.99776	0.2
93.07047	0.2
97.02898	0.5
99.04430	0.2
105.01844	0.2
105.07020	0.3
107.04911	0.2
109.02870	0.6
112.70417	0.1
119.08575	0.2
120.24180	0.2
121.06580	0.2
121.10044	0.2
122.06038	0.4
127.03905	0.8
129.07063	0.2
132.23888	0.2
134.03609	0.4
134.06046	0.2
136.07579	1.0
137.05971	0.2
140.07054	0.5
143.05623	0.4
145.04965	0.4
145.06480	0.3
146.06020	0.5
147.04427	0.3
148.07590	0.4
151.03876	0.3
152.07011	0.2
153.01805	0.2
159.02893	0.2
163.03951	0.2
164.07051	1.0
166.08630	0.3
167.07016	0.4
174.09344	0.2
175.03885	0.3
176.07100	1.7
177.01791	0.5
177.05487	0.4
191.07047	0.2
194.02107	0.3
197.05980	0.2
200.04733	0.2
201.05428	0.5
203.03366	0.7
207.02751	0.2
208.03709	0.2
210.11594	0.2
213.05519	0.2
218.05730	0.3
219.06551	0.4
221.04425	1.1
225.10185	0.2
231.39310	0.2
235.12404	0.3
236.06737	0.7
237.05544	0.2
237.10092	0.4
238.11121	1.0
239.11772	0.7
241.05032	0.3
250.10365	0.2
251.11761	0.7
252.12675	0.2
253.04973	0.7
253.08549	0.4
253.13202	0.2
259.06094	0.3
261.09052	0.2
263.07098	0.3
263.11697	0.5
265.05008	0.4
265.08963	0.3
265.13394	1.1
266.10428	0.2
267.06577	1.0
268.11133	0.2
269.08057	0.3
270.05106	0.4
271.14386	0.6
275.11777	0.2
276.98190	0.2
277.08798	0.4
277.13348	0.3
278.09418	0.4
279.11273	8.1
280.12070	0.6
281.04971	0.3
281.08139	1.3
281.12811	0.2
282.05197	0.7
283.06000	0.4
285.07602	0.2
287.13876	0.5
289.08609	0.3
291.06424	0.4
292.07391	0.3
293.04364	0.2
293.12720	0.4
295.06027	1.2
295.09689	0.6
296.06705	0.2
296.10461	0.3
297.07626	1.5
297.12338	3.7
298.04730	6.2
298.13187	0.4
300.06058	0.2
301.07013	0.5
305.08148	0.3
306.08923	0.2
307.09631	0.6
309.04156	0.3
309.07559	3.4
309.12177	1.3
310.04739	1.1
310.08307	0.4
310.13113	0.7
311.09109	0.3
311.13730	0.6
313.07043	13.2
317.07913	0.3
319.06110	0.4
321.12155	1.2
323.05484	1.1
323.09164	0.3
324.06229	0.7
324.09891	0.3
325.07056	3.4
325.10852	1.1
327.08817	0.4
333.07471	0.3
334.08325	1.8
335.09192	0.6
337.07074	6.5
337.11761	2.5
338.07828	1.7
338.12515	0.7
339.08655	0.9
339.13306	7.2
349.10696	3.0
351.08633	1.1
352.09396	8.3
353.09766	0.4
367.11755	100.0
368.12106	2.9
369.14505	0.4
371.16010	2.6
385.12823	5.6
418.17325	0.2
438.20084	0.4
450.20816	0.2
460.18655	4.2
461.18942	0.2
478.19687	2.7
480.21103	0.6
492.21277	0.4
510.22336	0.4
583.25513	0.2
601.26556	8.2
615.17041	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	0.4
70.06583	0.5
70.85934	0.7
70.86333	0.6
71.04985	1.2
72.08148	0.3
79.85366	0.3
83.04995	0.3
85.02892	1.9
86.09689	0.5
90.48945	0.3
91.05484	0.4
98.20898	0.3
127.03936	0.3
128.07175	0.3
143.05643	2.4
147.04347	0.3
163.03958	0.6
169.04637	0.5
177.05518	0.3
185.04179	1.5
187.05836	0.7
261.87961	0.3
309.12247	0.3
324.02423	3.4
325.03214	1.4
331.10001	14.8
337.11960	0.4
361.04117	0.7
363.13272	0.3
366.99261	0.6
379.04987	0.5
460.18088	0.4
487.08548	0.5
601.26416	0.9
633.14227	100.0
634.14624	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17029	0.6
55.40998	0.6
67.05507	1.7
68.99813	0.6
69.03440	1.3
69.07069	4.7
70.91534	1.3
79.05488	1.0
80.80815	0.5
81.03423	1.0
81.07065	0.8
81.25774	0.5
85.06551	0.8
91.05480	1.3
93.07055	0.9
94.06579	5.1
94.75082	0.6
95.04964	1.2
95.08617	2.4
96.42197	0.6
97.06546	0.7
105.07022	0.9
108.08139	1.4
109.02927	1.1
109.10193	0.6
110.06036	0.6
112.07617	1.0
116.05014	0.9
117.03389	2.5
118.06542	0.9
120.04451	0.6
121.10149	1.2
122.06030	15.2
123.04433	0.9
123.08080	0.7
129.09447	0.6
134.05994	1.3
136.06175	1.2
136.07632	0.9
137.05998	0.9
138.05533	0.8
140.05978	1.3
140.07065	26.3
143.05678	1.8
144.04408	1.6
145.02843	6.9
146.06010	12.6
147.06784	0.7
148.07608	2.6
149.05986	0.9
149.09654	0.9
151.07629	0.8
162.05519	1.8
163.06320	0.7
167.07109	1.4
171.11861	0.6
172.03934	10.0
173.04797	1.2
174.05519	13.7
174.06886	1.1
176.07077	8.2
177.05489	13.9
181.04927	1.0
190.05031	2.4
191.05832	2.5
192.06644	1.8
196.09932	0.7
197.10687	1.3
199.08810	0.8
199.12357	1.4
204.06575	18.1
206.08112	7.2
207.06532	1.2
207.13823	1.0
209.10782	1.1
210.09302	0.8
211.08690	2.0
212.09503	1.7
213.10315	1.5
223.08691	1.2
224.09506	1.2
225.10217	5.8
227.11768	11.3
235.08702	0.9
235.12456	0.9
236.09438	1.1
237.10101	3.1
238.11131	1.7
239.11795	4.0
240.10239	0.6
241.09850	1.7
241.13474	1.1
248.09700	0.8
249.10205	4.9
250.10979	0.9
251.08360	0.9
251.11722	3.7
253.09776	3.3
253.13277	0.8
255.11406	0.9
261.07727	1.8
261.12430	2.7
262.11124	1.0
263.08792	1.3
263.11774	10.7
264.08929	0.7
265.09836	2.5
265.13437	1.5
266.10593	1.1
267.11325	2.9
269.12842	13.0
271.10739	4.2
275.11853	0.9
277.09882	3.3
279.11240	6.2
279.13614	0.8
280.12207	0.6
281.09290	1.1
283.10782	11.0
284.11511	5.5
285.07663	0.8
285.12329	5.7
286.13596	0.9
287.05750	0.7
287.13940	22.7
291.11252	6.1
293.09344	1.5
294.10068	1.8
295.10754	4.4
296.11588	0.8
297.12372	4.0
300.11960	1.1
300.15292	0.8
301.12292	3.8
302.13037	1.6
303.08224	1.0
309.12427	9.4
310.13248	1.4
311.14066	1.8
312.15262	1.2
313.11816	32.3
314.13055	1.8
315.13913	1.0
316.14371	6.1
317.15332	1.1
319.10962	0.8
321.08652	0.9
323.10364	1.8
323.13956	6.6
326.16754	1.2
327.14163	1.9
328.11032	1.2
328.14618	2.5
329.11694	2.8
329.15430	2.1
330.12378	2.4
330.16092	5.3
331.12961	10.3
331.16904	7.3
332.17511	1.5
336.10971	5.3
337.11734	4.5
338.12714	1.7
339.14160	1.1
340.14786	1.1
341.16180	0.8
342.12442	5.6
342.16022	1.0
343.13110	3.3
344.13916	1.9
344.17694	5.7
345.14484	9.2
345.18362	0.9
351.13638	0.7
352.14783	0.8
354.12363	1.3
354.16299	1.5
355.14090	2.3
356.14029	4.1
356.17767	0.9
357.14981	2.6
358.15561	8.0
365.11444	0.8
366.16287	0.7
367.13120	3.8
368.13797	5.8
368.17776	1.0
369.14548	18.6
370.11618	1.3
370.15497	5.7
371.12735	1.0
371.16901	1.1
372.17160	5.5
374.18762	1.1
380.13766	1.4
382.11581	3.3
382.16052	1.5
383.12473	2.6
384.13351	12.0
384.17456	1.1
385.14209	3.1
386.14615	5.6
386.18954	2.4
388.16650	1.6
390.18124	5.2
391.18771	0.8
392.19638	0.9
397.15033	1.2
398.15005	15.1
399.15836	24.9
400.16580	35.9
402.14670	2.0
412.16620	2.2
414.18216	5.9
415.18951	2.2
416.15726	3.8
417.16846	8.1
418.17667	9.4
422.15506	0.8
425.10986	1.7
430.17838	2.9
431.18484	1.8
440.16052	5.0
441.16916	1.3
442.17081	1.0
444.15878	1.8
458.17130	47.1
459.17880	28.1
460.18549	5.8
473.17554	0.9
474.17844	2.5
476.18066	1.7
478.19662	4.5
490.19800	10.2
491.20718	3.7
508.20822	12.5
509.21655	2.2
510.22488	6.2
555.26312	2.2
557.23914	5.1
581.23944	10.9
599.25024	100.0
600.25238	2.6
614.24756	1.9
631.26410	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85633	0.8
55.01890	1.1
55.05496	1.2
65.03938	0.9
67.05506	2.0
68.05020	1.6
69.03428	2.0
69.07070	4.4
69.50998	3.6
69.51421	3.0
79.05494	1.9
80.05030	0.9
81.03408	3.2
81.07066	1.5
85.02916	1.5
91.05476	2.5
93.07034	1.5
94.06568	6.1
95.04964	2.3
95.08585	0.9
97.02858	1.1
97.06532	0.9
105.07044	1.9
106.06587	0.9
108.08114	1.4
109.02856	1.4
109.06592	1.0
110.06055	1.1
116.04950	1.8
118.06506	1.0
119.04986	1.3
121.10178	0.8
122.06033	16.9
123.04440	1.2
124.07620	0.9
127.03920	1.3
129.06970	0.8
134.05992	2.5
136.06186	5.2
136.07599	1.9
137.05945	1.8
140.07062	27.2
143.05638	4.9
144.04437	3.0
145.02888	1.6
146.06007	13.4
147.04401	1.4
147.06810	1.6
148.07584	3.0
151.04015	1.0
162.05487	2.8
163.03882	0.9
167.07036	8.9
168.07408	2.6
169.07605	1.1
172.03946	22.9
172.07581	0.9
174.05475	8.1
176.07086	8.0
177.05493	5.0
185.10837	0.9
190.04993	4.2
192.06664	1.2
196.10078	1.5
197.10805	1.7
199.08672	1.3
199.12421	1.8
204.06575	43.5
206.08130	16.5
207.06561	2.6
209.10703	1.7
210.11478	1.4
211.08699	3.6
211.12407	0.9
212.09366	1.3
216.10185	0.9
224.09390	1.2
225.10240	6.3
227.11797	13.2
236.09363	1.1
237.10205	3.2
239.11749	5.4
241.09795	1.9
249.10416	1.6
249.23494	0.8
251.07980	1.0
251.11816	2.8
253.09755	3.2
255.07822	1.0
255.11211	1.8
261.12439	2.9
263.08264	1.2
263.11844	3.0
264.09012	1.4
265.09723	2.9
266.10568	1.1
267.11380	2.0
269.10043	0.9
269.12912	7.8
271.10809	5.1
277.09595	1.9
279.11255	2.4
283.10855	10.9
284.11456	5.8
285.12418	3.4
286.04639	0.9
287.05542	3.1
287.13925	24.5
291.11307	1.3
293.12656	1.0
294.13080	0.9
295.10809	2.3
297.12341	4.7
300.12146	2.4
301.12085	4.1
302.13013	0.9
309.12518	2.4
310.12894	1.0
312.15097	1.4
313.11743	10.7
314.12958	2.7
315.13675	2.7
316.14560	7.0
317.15479	1.1
323.10269	1.6
323.13831	1.7
324.11267	1.0
326.12759	1.4
326.16562	2.0
327.13535	2.4
327.17389	1.3
328.14584	3.9
329.11606	3.6
329.15143	1.7
330.12350	2.1
330.16031	6.8
331.12875	8.0
331.16849	10.0
332.17114	1.2
336.11038	1.6
337.11749	1.7
341.12299	1.0
342.12384	5.3
342.16132	1.3
343.13266	3.6
344.13983	1.6
344.17624	6.5
345.14435	21.3
345.18381	1.7
354.16278	1.2
355.14014	1.5
356.13919	5.1
357.14853	3.3
358.15530	8.7
363.15457	1.8
367.13110	1.3
368.13751	1.3
369.14804	1.9
370.11517	1.7
370.15555	4.1
372.17166	5.0
380.13855	1.0
382.11801	2.9
382.15894	1.2
383.11230	4.6
383.27780	1.3
384.13464	10.8
385.14163	3.6
386.14648	5.2
386.18872	2.9
388.16577	2.4
390.18195	6.8
392.19556	1.0
398.14987	13.5
399.15799	24.9
400.16556	29.4
401.17136	1.7
402.14246	1.9
412.16461	1.4
414.18390	5.8
415.18591	1.3
416.16046	3.4
417.16965	6.1
418.17468	8.4
420.56018	1.1
430.17618	3.5
431.18341	2.0
440.16144	4.4
441.16724	1.7
442.17856	1.3
444.15530	2.0
458.17114	40.5
459.17856	24.5
460.18491	5.8
490.19766	11.1
491.20551	5.2
495.83783	0.9
508.20740	2.9
510.21597	1.2
545.32758	2.4
555.25543	1.5
557.23669	4.7
581.23834	8.3
587.33868	6.8
599.25006	100.0
600.25470	3.8
613.32318	1.5
631.25928	5.0
631.32739	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	631.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29370	0.4
53.03933	0.5
55.01874	1.0
55.05511	1.0
56.96574	0.6
62.01735	0.4
62.78818	0.5
63.93215	0.4
65.03954	0.7
67.05509	2.3
69.03425	1.2
69.07072	4.8
70.92387	1.1
74.52868	0.4
79.05494	1.2
80.04994	0.6
81.03413	1.9
81.07051	1.4
85.02903	1.2
91.05486	4.0
93.07045	1.1
94.06567	5.0
95.04964	1.9
95.08617	0.9
97.02911	0.6
97.06516	0.8
98.21516	0.4
99.04431	0.5
99.24005	0.5
105.07050	1.3
106.06567	0.6
107.08581	0.8
108.08125	1.4
109.10165	1.1
110.06046	0.7
112.07616	1.5
116.04954	0.5
118.06538	1.0
119.04945	0.6
119.08614	1.0
120.04443	0.5
120.08115	1.1
121.10091	0.8
122.06034	17.4
123.04461	1.2
123.08081	0.5
123.11740	0.6
127.03939	1.2
131.08582	1.0
133.10100	0.5
134.06018	1.9
135.11723	0.4
136.06203	1.6
136.07635	0.7
140.07066	26.3
142.08646	0.6
143.05652	0.9
144.04408	2.1
145.02870	0.9
145.05205	0.4
145.10100	1.0
146.06013	10.9
147.04440	1.1
147.06834	0.9
148.07588	2.0
149.09583	0.5
152.07127	0.7
154.08614	0.5
157.10170	0.7
158.09660	0.5
160.03900	0.5
160.07561	0.5
161.09642	0.5
162.05463	2.6
163.03954	0.6
163.06357	0.8
166.08655	0.6
167.07085	2.3
172.03938	14.6
172.07657	1.2
173.04700	1.0
173.13329	0.5
174.05519	13.7
174.09076	0.5
175.03873	0.6
176.07071	6.6
177.05515	1.3
178.08701	0.7
181.04900	0.5
182.09627	0.7
186.09309	0.5
190.04996	3.7
191.05804	2.5
192.06532	2.4
197.10722	1.1
198.07750	0.5
199.08694	1.0
199.12328	1.8
204.06563	25.5
205.06996	0.8
206.08124	9.6
207.06535	0.8
210.09245	1.3
211.08673	2.3
212.09470	1.7
213.10295	1.4
215.11809	0.5
216.10237	0.8
221.10831	0.5
223.08740	0.7
223.12230	0.5
224.09428	1.2
225.10237	5.4
226.10945	1.1
227.11786	12.1
227.13953	0.9
235.08693	0.5
236.09447	0.8
237.10280	2.7
238.11035	1.5
239.11757	3.8
240.12547	0.8
241.09729	1.5
241.13312	0.7
243.11493	1.0
249.10315	1.2
251.08087	1.0
251.11766	2.8
253.09778	2.4
255.07745	0.8
255.11320	1.4
257.04526	4.0
258.05356	2.1
261.12314	2.2
263.08139	1.3
264.09048	0.9
265.09677	2.7
266.10312	0.8
267.11295	1.9
269.12827	10.4
271.10693	4.5
277.09732	1.5
278.10327	0.6
279.11224	1.8
279.13809	1.0
281.09225	0.6
283.10776	8.6
284.11566	6.1
285.12323	4.8
286.04709	6.8
286.13211	0.8
287.05426	3.6
287.13901	24.4
289.13315	0.7
291.11377	0.6
293.12991	0.7
295.10898	1.8
296.11679	1.2
297.12317	4.0
298.13644	0.6
299.11484	0.6
300.12088	1.1
301.12070	3.9
302.13028	0.8
312.15115	0.9
313.11795	23.7
314.12744	2.4
315.08417	0.6
315.13766	2.9
316.14474	6.8
318.16043	0.7
321.12408	0.5
323.10303	1.5
324.11066	1.0
324.14755	0.6
326.13065	0.7
326.16534	1.3
327.14255	0.6
327.17612	0.8
328.10992	1.0
328.14529	2.4
329.12091	2.6
329.14810	2.4
330.12363	1.9
330.16061	6.5
331.12952	12.5
331.16864	7.9
332.17627	1.4
338.13077	0.5
340.14868	0.9
341.12216	0.8
341.15872	0.7
342.12329	5.3
342.15674	0.8
343.13242	4.2
344.13843	1.9
344.17661	5.4
345.14493	12.7
352.14627	0.8
354.12360	0.9
354.16254	1.2
355.13818	1.7
356.13947	5.0
356.17715	1.1
357.14957	2.9
358.15518	8.7
358.19345	0.4
363.15509	1.8
365.11227	0.6
367.13235	0.8
368.13922	0.9
369.10950	0.8
369.14957	0.7
370.11667	1.3
370.15643	3.4
371.16464	1.3
372.17194	4.8
374.18921	0.8
380.14026	1.0
382.11493	2.6
382.15747	1.9
383.11267	15.8
384.13446	12.0
384.18024	0.6
385.13943	3.1
386.14499	4.5
386.19482	2.6
388.16635	2.0
390.18152	5.6
391.18845	0.5
392.19897	0.6
394.15652	0.6
396.17590	0.7
397.14658	0.8
398.15021	14.2
398.19989	1.0
399.15784	23.5
400.16562	30.2
402.14142	2.6
412.16638	2.5
413.17053	0.9
414.18222	5.6
415.19336	2.2
416.15802	3.0
417.16870	7.4
418.17590	8.0
430.17654	3.0
431.18445	2.0
440.16074	3.9
441.16812	1.5
442.17603	1.4
444.15674	2.3
458.17123	34.9
459.17816	19.5
460.18729	4.8
490.19894	5.4
491.20438	3.3
555.25958	2.1
557.23828	4.1
565.69891	0.6
573.75714	0.6
581.24066	7.1
599.25012	100.0
600.25092	3.6
631.17206	1.0
631.27679	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	629.2731
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
56.39999	0.3
61.42513	0.4
89.06036	0.7
96.40211	0.3
110.06813	0.3
157.75778	0.4
312.04028	0.4
629.27356	100.0
630.27655	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	631.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
57.03426	1.0
59.83401	0.9
67.05499	2.1
69.03425	1.7
69.07054	3.0
70.19900	3.8
73.02896	1.4
79.05490	2.3
81.03419	1.6
81.07067	1.9
83.04977	1.1
85.02914	2.7
91.05482	3.4
93.07044	1.2
94.06586	4.8
95.04967	2.6
95.08595	2.1
97.02894	2.7
97.06539	2.1
97.23870	0.9
98.21360	1.2
103.05439	1.1
105.07021	1.6
106.88139	0.9
107.04948	1.5
107.08579	1.0
109.02881	1.6
109.06435	1.1
112.07546	1.1
118.06529	1.3
119.04953	1.5
119.08580	2.1
121.06496	1.3
121.10126	2.1
122.06033	14.7
123.04447	2.6
124.07547	1.0
127.04016	0.9
129.07018	1.6
131.04941	1.4
131.08554	1.2
135.11697	0.9
136.06192	2.9
136.07579	1.7
136.83882	0.9
137.05977	3.6
139.03944	1.2
140.07062	25.7
143.05696	6.0
144.04399	1.0
145.02844	2.3
146.06017	12.6
147.04439	3.0
147.06856	1.4
148.07559	2.7
150.23981	1.0
151.03874	2.0
152.07120	1.9
153.01839	4.9
159.08054	2.0
161.05965	1.5
161.09642	1.1
162.05464	1.4
164.07106	1.3
165.06810	1.1
167.07037	26.3
168.07483	1.5
172.03931	8.5
174.05504	13.9
174.06868	1.3
175.03944	2.0
176.07065	7.8
177.05508	4.1
179.06946	1.2
181.05005	2.1
187.07497	1.9
190.04996	3.6
191.05779	2.5
192.06535	2.9
193.08640	2.5
196.09995	1.9
199.12436	1.4
204.06537	22.2
206.08093	7.8
207.06519	3.8
207.08987	0.8
209.08054	1.2
211.08600	1.7
212.09386	2.2
223.08647	1.4
224.09312	1.2
225.10277	6.1
227.11771	9.0
228.23509	0.9
236.09514	1.5
237.10265	3.1
239.11821	5.8
241.13283	1.1
249.11288	7.7
251.11841	2.7
253.09776	3.0
253.13327	2.8
255.11374	1.2
261.12451	2.6
263.08240	1.2
263.11795	3.9
265.09735	2.1
267.11334	1.8
269.12851	10.9
271.10770	4.6
277.09723	3.4
278.34186	0.9
279.11081	2.2
279.13739	1.4
282.05017	1.4
283.10742	9.7
284.11319	5.5
285.12244	5.2
287.05463	6.4
287.13901	26.5
288.14569	1.0
291.11172	1.9
295.10773	1.8
296.11624	1.1
297.12357	3.7
301.12234	4.7
301.15338	1.1
302.13028	1.8
309.12344	1.9
311.05478	6.5
311.14075	1.2
312.15128	1.4
313.11771	27.1
314.12836	2.4
315.13806	2.7
316.14435	6.5
317.15070	1.0
323.10065	2.1
323.13898	2.6
327.14035	1.7
328.14389	3.5
329.11514	2.9
329.15176	1.4
330.12601	1.7
330.16034	5.5
331.12885	13.6
331.16763	6.5
332.17447	1.8
336.11017	2.1
337.11819	2.1
339.08551	12.5
342.12387	5.1
342.16205	1.7
343.13077	3.4
343.16885	1.3
344.13895	1.8
344.17572	5.9
345.14429	9.3
354.16061	1.3
355.13629	2.2
356.13770	5.0
357.15033	2.6
358.15509	9.2
367.12778	2.3
368.13718	2.1
369.14636	2.8
370.15506	4.0
371.16379	1.1
372.17010	5.0
382.11981	2.9
383.11163	21.8
384.13464	11.3
385.13928	3.5
386.14417	4.6
386.18829	2.9
388.16702	1.9
390.18143	5.7
394.15152	1.4
398.14880	14.3
399.15793	21.5
400.16550	32.5
401.17197	1.2
402.14224	2.3
412.16461	2.0
413.17276	1.7
414.18399	6.0
415.19150	2.2
416.15955	3.8
417.16858	11.1
418.17639	10.0
430.17563	2.5
431.18491	1.0
440.15833	5.0
441.16217	1.8
444.15607	2.4
458.17090	42.5
459.17770	27.0
460.18597	5.3
478.19748	1.1
490.19873	9.3
491.20538	3.4
508.20703	3.0
510.22284	2.0
545.33014	1.1
555.26556	1.3
557.23999	4.9
581.23950	8.9
587.33545	2.6
599.25000	100.0
600.25348	4.1
614.25024	1.4
631.23077	2.1
631.26105	2.5
631.32709	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	629.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42064	0.7
55.01867	1.3
55.05499	1.1
56.96560	1.4
57.03440	1.4
61.02912	1.3
67.05491	2.9
69.03423	1.2
69.07066	3.3
73.02928	1.3
75.58702	0.8
79.05490	3.2
81.03387	1.8
81.07060	2.4
82.38422	0.8
83.04949	1.0
83.08609	1.0
85.02901	1.5
86.09682	2.8
89.55312	1.0
91.05466	3.9
93.07029	2.8
94.06535	1.1
95.04968	1.7
95.08603	2.1
97.02887	1.0
97.06523	0.9
103.05471	0.8
105.07029	2.5
105.76186	0.9
107.04928	1.2
107.08600	2.7
108.08107	1.0
109.06519	1.1
109.10133	2.1
119.05012	1.0
119.08574	1.2
121.10141	1.8
122.05968	1.8
123.08059	1.0
127.03878	0.9
131.08582	1.1
133.10130	2.9
135.07924	1.1
137.09682	1.1
140.07051	2.5
145.02837	1.1
146.05957	1.0
149.09621	1.0
150.09161	1.2
151.07471	1.1
159.11722	0.9
167.07079	5.3
173.13234	0.9
177.05428	2.7
199.08656	1.5
207.06583	1.0
207.09251	0.9
209.10918	0.9
211.08595	2.4
213.10097	0.9
221.10640	1.6
232.28593	0.9
235.08636	3.8
236.09387	2.3
237.10156	1.8
247.08607	1.7
248.09418	1.7
249.10207	15.6
250.10954	3.3
251.11746	5.2
261.10281	1.5
262.11188	0.8
263.08182	1.7
263.11789	3.9
265.13330	2.1
277.09753	6.0
279.11288	2.4
281.09171	1.7
283.05951	0.9
285.10062	1.3
287.05365	1.0
291.11206	1.5
292.12253	0.9
293.09201	0.9
295.10770	1.7
299.09091	1.9
309.12363	6.9
310.13031	1.7
311.13898	2.4
312.11581	1.2
313.12198	2.8
314.12830	1.7
321.12787	0.9
322.13422	1.7
323.10150	3.9
323.13962	6.8
324.14941	2.5
325.12744	1.3
326.13071	3.3
326.45526	0.8
327.13727	5.2
328.11115	0.9
328.14420	5.6
329.11932	1.2
337.11838	1.2
338.12860	1.8
338.16501	3.8
339.17514	6.1
340.10706	2.1
340.14526	2.2
340.18124	2.2
341.11557	8.4
341.15646	3.1
342.12292	9.4
342.16068	3.6
343.13065	2.1
343.16846	1.4
352.14386	2.3
353.12143	1.7
354.12250	10.7
354.16077	1.6
355.13068	9.3
356.13904	22.7
356.17072	0.9
357.15186	1.1
364.14490	1.6
366.16211	4.3
367.12711	1.8
367.17181	5.3
368.10291	1.1
368.13983	9.4
369.14752	6.4
370.15485	14.9
371.16394	2.2
372.17242	1.5
380.13971	8.2
381.11179	1.6
382.11499	5.0
382.15674	2.3
383.12384	2.8
383.16364	2.4
384.12756	8.1
384.17801	7.3
385.18265	1.6
386.18869	2.0
394.15881	1.6
396.13443	5.3
397.14026	1.8
398.14194	13.4
398.18753	9.9
399.19321	2.4
400.12973	1.1
401.13629	15.5
402.18329	1.2
410.14938	1.9
411.15964	2.0
412.16531	7.2
414.14401	13.5
415.15070	1.6
416.15604	4.6
417.16589	1.6
426.17972	2.5
427.18677	1.3
428.15683	2.9
429.16824	6.5
430.17569	8.1
438.14496	6.8
439.15134	2.6
440.16150	1.9
442.13785	1.9
444.19257	17.7
445.19980	2.2
456.15549	10.5
457.16306	31.6
458.17081	30.0
459.17490	1.3
460.18597	2.8
471.17691	2.1
472.19037	1.7
473.43536	0.9
474.16803	5.7
488.18085	12.6
489.18958	100.0
490.19748	29.5
579.22223	5.9
597.23468	13.8
611.24744	5.3
629.15930	1.5
629.26160	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	1.5
60.50090	0.6
67.05508	4.3
69.07021	1.6
70.28136	2.9
70.95703	0.7
79.05440	2.1
81.06989	2.9
83.04941	0.9
83.08591	0.8
91.05411	1.9
93.06979	2.7
95.08573	1.4
97.06446	1.0
98.21500	0.8
105.06998	1.8
106.07327	0.8
107.08533	2.2
119.08537	1.8
123.11691	0.7
131.08472	0.9
234.15823	0.7
245.90155	0.7
350.66046	0.7
410.13797	0.8
411.14685	1.5
412.15338	0.7
424.15244	2.3
425.16058	6.3
426.16714	2.5
427.17657	3.1
437.16379	1.5
438.17175	1.6
439.17816	9.4
440.18564	8.4
441.19214	2.4
442.19839	1.5
451.12579	0.9
452.14682	3.1
453.15460	32.2
454.15854	3.7
454.20474	2.5
455.20837	35.8
456.21100	1.9
466.16211	1.7
467.17014	33.5
468.17737	9.2
470.15918	0.8
471.16925	0.8
480.17538	1.1
481.18372	5.3
482.19321	29.0
483.19754	2.2
485.18271	2.1
494.18427	1.1
495.20285	1.8
496.20300	0.7
500.20438	1.0
513.21350	2.1
514.21960	0.9
523.20874	0.8
527.22406	0.8
528.23834	3.2
541.24847	3.7
553.22064	5.0
554.21490	1.2
568.20245	0.8
569.23975	100.0
570.24109	3.9
597.23322	2.0
600.22253	2.1
601.26624	4.5
608.01648	0.8
628.46692	1.4
629.25934	71.8
630.26025	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15326	0.4
53.03942	0.6
55.05506	0.7
56.96563	0.5
65.03912	0.4
67.05493	1.7
69.03422	1.3
69.07055	1.4
69.52380	2.6
71.04999	0.4
72.08154	0.4
77.19393	0.4
79.05479	1.6
81.03403	1.4
81.07043	1.7
83.04978	0.4
83.73910	0.4
85.02901	0.9
86.09706	0.7
87.06699	1.4
91.05475	1.8
93.07033	1.4
95.04948	1.5
95.08598	1.5
97.02900	0.8
97.06527	0.5
98.21627	0.3
105.07024	1.3
105.83849	0.4
107.04969	0.8
107.08571	1.1
109.02885	0.8
109.10168	0.8
110.06010	0.4
111.04468	0.6
112.64201	0.3
119.04928	0.9
119.08598	0.9
120.45747	0.3
121.06500	0.6
121.10125	0.7
122.06037	0.4
123.04428	1.0
127.03913	0.8
130.06514	0.4
132.34332	0.5
133.10121	0.8
134.06049	0.6
135.08028	0.8
136.07578	0.5
137.05962	1.4
137.09602	0.5
138.05490	0.9
139.03902	0.4
143.05644	60.0
144.08151	0.5
145.02824	1.2
147.04405	0.7
149.05966	1.1
151.03912	1.3
151.07573	0.5
152.04681	0.6
153.05510	0.5
159.11661	0.6
161.06027	0.7
163.04071	0.4
167.07043	12.0
168.07362	0.9
169.07593	0.5
175.03864	0.8
177.05406	1.4
181.05013	0.9
181.08594	0.7
191.07101	0.4
193.08621	0.9
207.06538	1.8
209.08080	0.7
210.09024	0.5
212.09633	0.4
216.80789	0.5
221.10739	1.0
223.08662	0.5
223.12250	0.8
225.10246	1.0
227.11745	1.8
233.10632	0.4
234.11536	0.6
235.08667	3.1
236.09485	0.8
237.10298	2.9
239.09422	1.2
243.11334	0.7
247.08727	2.1
248.09438	1.5
249.10240	16.0
250.10986	8.3
251.11722	3.4
252.12570	0.7
253.09755	0.9
261.10162	2.6
262.10934	1.1
263.08118	2.5
263.11716	1.1
264.08878	1.2
265.09729	9.7
265.12839	0.7
269.12787	0.9
271.10733	0.7
277.09723	11.0
278.10519	14.2
279.11301	11.5
280.11948	0.9
281.09207	1.2
283.10641	0.9
285.12512	0.9
287.05545	2.8
287.13965	2.7
289.09604	0.8
291.07751	1.0
291.11179	1.0
292.12033	1.2
293.09219	2.9
293.12851	8.7
295.10855	1.4
295.17651	0.4
297.12546	1.0
305.09137	2.0
306.09927	1.7
307.10724	2.9
308.11594	2.9
309.08716	2.0
309.12283	0.7
311.10248	3.7
312.11243	0.5
313.12274	0.9
319.10834	0.8
319.14377	0.5
321.12402	1.5
323.10431	0.8
323.13885	2.4
324.11176	0.9
324.14801	0.5
325.12436	1.5
326.13043	0.7
327.13757	0.9
329.11508	0.7
333.08609	1.3
334.09491	2.8
337.12408	1.2
338.12949	1.2
339.13422	33.8
340.10715	0.6
340.14438	1.3
341.11771	1.4
342.12405	0.9
342.16043	1.2
343.12823	2.7
349.11984	1.9
351.09552	2.3
352.10532	4.3
352.14490	1.0
353.11783	1.7
354.12338	2.3
354.16180	0.7
355.13107	2.7
356.13852	2.1
356.17737	0.7
364.14587	1.8
365.11499	0.5
366.12131	7.6
366.16147	1.2
367.12891	100.0
368.10056	0.5
368.13971	5.7
369.11020	1.4
369.14896	1.0
370.15549	4.1
380.09689	0.5
380.14124	2.5
381.10992	0.7
382.11179	2.6
382.16080	2.8
383.12100	3.1
383.16345	1.3
384.13266	1.1
384.17523	2.7
385.02777	0.4
385.13531	0.5
394.15518	1.2
395.12711	0.9
396.13254	5.5
396.17380	0.6
397.14133	1.7
398.14920	8.7
408.13470	0.6
410.15100	5.0
411.15558	1.3
412.16592	7.3
413.17218	1.4
414.14456	1.3
415.15317	0.5
424.12784	1.1
428.16177	0.9
429.16852	1.7
430.17694	0.6
438.14438	4.4
439.15381	2.8
440.16086	3.7
442.13867	2.7
456.15552	12.6
457.16327	39.9
458.17078	9.0
467.17258	0.5
474.16507	0.7
488.18069	0.9
489.18979	5.9
490.19733	1.3
506.12210	0.7
506.19235	11.5
507.20065	6.0
508.20581	2.2
551.22876	0.7
553.23999	1.3
555.21838	0.7
579.22803	2.9
585.32141	1.1
597.23425	22.7
601.16644	0.7
611.25128	0.7
611.35815	1.1
628.43616	0.7
629.15997	0.5
629.31183	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2241
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05573	0.6
63.48848	0.4
67.05562	0.6
70.13382	2.1
71.05021	0.4
79.05561	0.6
81.07112	0.6
91.05544	0.7
93.07126	0.8
105.07088	0.9
107.05051	0.5
107.08662	0.6
110.67731	0.5
117.42363	0.6
119.08679	0.6
134.58261	0.5
197.36787	0.5
235.59520	0.5
244.11813	0.6
293.19385	0.7
392.20822	0.5
396.12451	1.7
397.12930	2.4
398.13855	1.2
399.14581	0.7
399.50635	0.5
400.15527	0.6
409.13208	1.5
410.13629	3.8
411.14499	6.6
412.15369	4.4
413.16122	5.0
414.16870	0.5
423.14877	1.7
424.16034	3.2
425.16299	14.5
426.16824	10.0
427.17432	2.8
428.18710	3.3
437.16370	0.6
438.12555	4.0
439.13580	19.5
440.13605	1.0
440.19125	7.4
441.19330	37.5
442.19571	1.9
444.17557	0.6
451.17987	0.6
452.14310	4.2
453.15295	21.8
454.15683	4.9
456.18088	1.5
457.14859	1.0
458.19440	0.5
459.20715	0.8
463.13437	0.7
465.15784	1.0
467.17133	24.7
468.17953	20.0
469.12970	0.8
469.18793	9.9
470.19308	0.9
471.16867	2.2
472.17462	0.8
478.15930	0.6
480.17279	1.0
481.14536	9.6
482.15765	2.1
483.16757	0.8
484.21881	3.9
485.18002	1.6
485.22946	0.7
486.18924	0.9
494.17639	0.8
495.17108	3.0
496.17029	13.9
497.17776	2.0
498.19424	2.3
499.19839	0.9
500.20804	4.5
508.19772	0.6
509.18274	1.0
512.21777	2.3
513.22131	5.3
514.22382	0.6
523.19812	1.5
528.20111	1.3
531.22461	0.6
537.18030	1.0
541.20825	46.0
542.21051	2.1
551.18884	0.9
553.21234	1.0
569.20239	100.0
570.20471	4.7
572.19110	1.3
573.23370	3.1
597.19623	29.6
600.21606	1.6
601.22949	13.0
602.22388	0.8
615.20587	1.1
628.44928	1.1
629.22144	73.4
630.22552	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	629.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
58.99585	0.2
63.06231	0.2
65.03938	1.5
69.03423	1.8
69.07056	0.8
69.84093	1.4
70.06576	0.5
71.04971	0.2
72.91489	0.2
72.91841	0.2
76.03130	0.3
77.03926	0.3
81.03402	0.4
81.11856	0.2
83.04977	0.2
84.08163	0.2
85.02901	0.7
86.09714	0.5
89.03909	0.6
91.05476	25.1
93.03400	0.3
94.78099	0.2
95.04951	0.7
95.50041	0.2
97.02842	0.4
98.97575	0.2
101.04248	1.6
103.05463	0.8
105.07073	0.3
107.05013	0.3
107.08607	0.3
109.02876	0.4
110.07175	0.4
111.04433	0.5
112.07561	0.2
117.03389	0.3
118.04161	0.6
119.04939	32.8
121.02882	0.3
121.06499	0.3
121.10149	0.2
122.03626	0.3
123.04434	0.3
127.03905	0.5
129.03403	0.3
132.02069	1.1
133.02872	0.4
135.04414	0.9
136.05156	0.6
136.07588	0.3
136.66376	0.2
137.02260	0.3
137.05937	0.4
139.03958	0.5
140.07051	0.3
143.05615	1.3
145.02859	1.1
145.06329	0.2
147.04407	29.1
149.02353	1.2
149.09627	0.3
151.03943	0.3
152.07097	0.6
157.03976	2.2
161.05981	0.3
162.03105	0.2
163.03940	0.4
164.04718	0.8
165.01846	0.3
167.07065	0.7
172.04263	2.6
175.03902	47.1
176.04449	0.4
177.05489	1.0
179.07030	2.6
198.05774	0.3
207.06519	100.0
208.06947	0.5
214.05379	0.4
215.08473	0.3
215.10469	0.3
234.50421	0.2
261.08990	0.5
299.05429	1.4
303.05051	0.5
311.05447	0.5
329.06528	1.1
351.10809	0.6
353.06619	0.3
353.85852	0.2
369.11832	2.3
377.13745	0.5
383.07104	0.3
413.08502	0.4
423.14276	6.2
431.09665	0.5
434.25656	0.3
467.09683	0.5
593.12775	0.3
627.64935	0.3
629.20093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
55.01892	0.3
56.05026	0.2
61.36633	0.2
65.03936	1.6
67.05504	0.5
69.03427	1.8
69.07066	0.7
69.60458	0.8
69.60884	0.7
70.06590	0.2
77.03940	0.5
78.04723	0.3
79.05516	0.2
79.95937	0.2
80.06258	0.3
81.03403	0.5
84.08173	0.2
85.02897	0.8
86.09707	0.7
88.42129	0.2
89.03929	1.1
90.99374	0.2
91.05482	21.5
91.38658	0.2
94.78398	0.2
95.04949	0.5
97.02887	0.5
98.21539	0.2
101.04230	1.0
103.05474	0.4
103.86395	0.2
105.03384	0.6
105.07008	0.3
107.04976	0.3
109.02884	0.6
110.07164	0.4
111.04433	0.6
112.07571	0.3
117.03397	0.6
118.04220	0.3
119.04945	31.6
121.02839	0.3
121.06480	0.3
123.04459	0.3
123.08083	0.2
127.02113	0.3
127.03930	0.6
128.83904	0.2
129.03371	0.5
131.04895	0.3
132.02084	1.2
133.02887	0.4
135.04399	0.7
137.05959	0.3
139.03891	1.1
140.07069	0.5
143.05624	1.1
145.02866	1.5
146.03645	0.3
147.04411	28.8
148.04851	0.2
149.02356	0.8
149.05995	0.3
152.07063	0.6
154.22942	0.2
157.03986	2.5
163.03873	0.5
164.04649	1.0
167.07033	0.6
172.04295	2.3
175.03911	47.8
177.05437	1.4
178.08543	0.3
179.07013	2.6
181.04913	0.3
191.14352	0.2
192.04253	0.3
198.05843	0.3
207.06529	100.0
208.06932	0.5
209.15233	0.3
214.05299	0.5
244.06270	0.3
261.09222	0.5
299.05457	1.6
303.04913	0.5
311.05484	0.6
325.07034	0.4
329.06552	1.8
351.10706	0.5
353.06570	0.6
365.06650	0.3
369.11841	2.5
377.13678	0.5
383.07318	0.5
390.42880	0.2
395.07584	0.5
413.08234	0.3
423.14319	6.6
431.09439	0.9
467.09448	0.6
467.20074	0.3
491.10590	0.2
509.10559	0.4
533.10773	0.5
594.00653	0.3
628.31433	0.3
629.20117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40254	0.6
53.03929	1.2
54.45250	0.5
55.01861	1.7
55.05513	3.4
57.03444	5.6
57.04086	0.5
57.07064	1.2
61.02929	5.3
63.16872	0.5
66.60048	0.7
67.05509	18.8
69.03449	3.0
69.07073	7.9
69.64643	3.9
70.06590	1.0
71.04984	2.3
73.02913	2.1
78.04694	0.6
79.05495	9.1
81.03398	2.1
81.07061	26.1
83.04964	2.2
83.08624	4.7
84.08141	0.6
85.02908	7.4
85.06548	1.6
86.09721	0.8
86.36778	0.5
89.68780	0.5
91.03503	0.5
91.03984	4.5
91.05479	6.6
93.07049	20.0
94.06550	1.3
95.04980	2.5
95.08607	6.9
97.02901	3.8
97.06532	4.5
97.10167	0.8
99.04453	1.2
99.08068	1.5
99.94222	0.6
105.07034	3.2
107.04945	1.4
107.08596	10.1
109.02863	1.5
109.06525	1.3
109.10159	1.1
111.08117	3.2
111.11710	0.7
117.03353	0.8
117.07011	3.2
119.04940	1.9
119.08587	1.4
120.08061	0.6
121.06522	1.2
121.10152	6.9
122.06066	2.6
123.04414	1.5
123.08067	0.8
123.11678	1.0
124.04007	0.7
125.06048	0.6
127.03899	3.2
129.07120	0.5
131.08604	3.6
133.06453	1.2
133.10144	3.5
135.08020	0.7
135.11682	2.7
137.06018	2.8
139.11195	1.0
140.07086	3.7
143.05647	4.5
144.04341	0.6
145.02916	1.4
145.04993	1.8
145.10020	0.6
146.05991	0.8
147.04388	2.2
147.11674	1.7
148.07715	0.5
149.06004	1.4
149.09608	0.5
149.13269	14.6
151.03902	1.3
153.05467	0.7
159.11705	8.0
161.05940	1.2
162.05406	0.5
162.17062	0.6
163.06030	2.2
163.07338	0.6
164.07097	0.8
166.08553	0.7
167.07040	16.3
168.07436	3.0
172.03915	4.2
173.05856	0.6
174.05464	0.8
175.03893	2.6
177.05540	2.8
177.12755	4.5
179.07050	0.5
179.14229	0.7
181.04951	2.4
181.08627	0.5
195.13802	4.9
196.40034	0.6
204.06578	5.7
206.08138	2.2
207.06531	5.6
209.74084	0.5
213.14709	0.8
224.09085	0.5
227.11703	0.7
233.08269	0.6
251.16365	0.5
255.11424	0.8
263.08899	0.7
268.66653	0.6
269.17493	100.0
270.17978	0.7
271.06052	1.2
271.10712	1.1
284.11349	1.4
287.05441	2.6
289.12125	0.6
299.05435	0.9
300.05948	0.6
313.11896	2.8
328.05664	0.6
331.12839	0.9
345.14410	1.6
363.15475	0.6
369.11621	1.1
398.29248	0.7
413.21628	0.9
418.15768	1.2
431.22784	2.0
455.14493	0.7
456.15045	1.0
466.12131	0.9
487.34872	0.7
508.12897	0.9
596.22418	1.0
610.15515	1.4
628.16412	1.3
628.25818	1.4
628.35663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.3
53.50108	2.2
55.01871	24.9
55.05508	26.0
57.03429	11.1
57.07075	3.5
65.03927	5.3
67.05501	68.7
69.03431	3.0
69.07063	41.6
71.04988	2.8
71.60081	2.6
79.05486	58.0
81.03428	8.1
81.07053	81.2
83.04975	8.8
83.08601	10.7
85.06551	4.0
91.05474	64.9
93.07038	58.8
95.01328	8.1
95.04977	9.5
95.08601	55.7
97.06520	51.1
97.10167	2.3
99.08066	4.2
105.07025	72.1
107.04945	14.9
107.08580	24.9
109.06499	5.4
109.10146	15.9
111.08101	4.5
117.06998	15.6
119.08574	42.5
121.10149	16.2
123.04476	2.9
123.08055	2.3
123.11704	5.0
125.09663	3.0
126.75285	2.3
128.06258	3.5
129.06973	5.5
129.97231	2.4
131.08559	25.7
133.10127	46.9
135.08052	3.7
135.11679	13.8
138.83998	2.6
143.08592	3.6
145.10143	16.6
147.11726	18.2
149.09598	9.1
149.13263	7.4
157.10150	6.4
159.11703	10.1
161.13240	5.2
163.11157	5.6
163.14935	3.4
169.10109	2.7
173.13239	5.8
175.14801	4.6
177.12798	2.9
179.14287	17.9
183.11755	2.6
187.11258	3.0
197.13411	3.2
210.21074	2.3
219.17377	15.6
229.19365	3.2
236.00305	2.3
257.19012	4.0
261.22195	2.8
275.20038	100.0
279.40228	2.5
280.84967	2.7
293.21133	4.5
302.63501	2.9
335.25751	76.2
349.23737	17.3
408.89081	2.8
609.45074	59.9
610.44519	2.7
627.45831	6.8
628.46375	3.2
641.62097	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28403	5.7
55.01863	11.0
55.05509	38.5
57.03436	18.9
67.05507	78.5
69.07065	31.0
69.62320	48.2
71.08628	62.4
79.05496	71.0
81.07057	96.5
83.04965	6.4
83.08615	19.2
90.26283	5.8
91.05480	67.8
93.07040	67.3
95.05006	11.6
95.08614	66.5
97.06503	7.7
99.08096	39.6
105.07024	57.8
107.08595	46.9
109.06520	11.0
109.10163	27.6
115.05463	6.3
117.07034	24.2
119.08579	56.8
120.59290	6.1
121.10117	24.4
123.08034	7.1
123.11656	9.1
125.09635	6.5
128.06218	5.5
129.06982	18.9
129.53275	5.6
131.08578	43.5
133.10152	36.8
135.11693	25.9
139.42654	5.6
143.08578	35.5
145.10133	46.6
147.11681	29.8
149.13255	6.9
151.11230	14.8
155.08539	13.7
157.10124	23.4
159.11694	37.2
161.13274	28.4
169.10228	8.3
171.11723	23.7
173.11795	9.3
173.13284	17.8
175.14825	13.9
179.14256	29.7
181.09984	7.4
183.11710	21.9
185.13211	15.9
187.14853	19.8
195.11610	6.8
197.13367	12.0
199.14870	15.6
203.17979	7.0
211.14821	7.7
213.16417	7.1
231.21065	6.8
233.25580	6.2
241.19521	24.0
259.20511	32.2
275.20157	11.6
277.21588	47.4
309.50449	5.6
333.24411	30.5
335.25766	14.7
349.23871	8.1
351.25363	35.1
366.99188	7.7
437.34219	24.8
511.37894	15.6
515.37103	6.7
517.40204	13.9
535.41675	11.2
553.42578	10.3
609.45337	63.1
620.52563	7.6
627.46216	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	8.1
55.01859	9.7
55.05260	3.7
55.05509	49.9
57.03443	12.8
57.07062	5.6
59.04980	3.4
65.03941	5.6
67.05500	100.0
69.03430	4.7
69.07070	32.2
70.19817	11.3
71.04977	5.2
71.08621	4.8
74.13203	2.1
79.05489	91.3
81.03406	4.8
81.06578	4.4
81.07054	90.5
83.04972	8.5
83.08616	28.7
83.89507	2.0
85.06544	8.2
91.05473	64.0
93.07037	70.9
94.07378	2.5
95.04981	19.4
95.08599	64.6
97.06504	10.8
97.10155	22.6
98.20851	3.1
99.08087	4.0
105.07025	65.9
107.04956	12.6
107.08591	71.2
109.06531	3.7
109.10151	36.6
111.08083	4.8
113.09667	2.4
117.07012	28.4
119.04955	2.4
119.08567	48.5
119.09353	4.5
121.06496	3.7
121.10128	31.4
123.11692	17.3
125.09609	17.4
128.06194	3.7
129.07002	15.5
130.07791	2.3
131.08556	33.9
133.10135	40.8
135.08051	4.0
135.11694	24.3
137.09605	4.8
141.06964	3.1
142.07845	3.9
143.08542	20.5
145.10109	40.0
147.11670	28.3
149.09631	18.2
149.13232	10.9
151.11186	3.0
153.09122	3.6
155.08525	7.1
156.09302	3.4
157.10121	19.3
159.11690	32.0
161.13260	12.3
163.11177	4.8
163.14818	3.6
169.10153	11.5
171.11688	16.5
173.11873	4.9
173.13197	17.9
175.14859	7.7
177.12714	2.2
181.10139	3.8
183.11699	11.4
185.13255	15.1
187.13318	4.4
187.14847	11.3
189.11234	8.2
189.16451	4.4
195.11670	5.7
197.13191	10.9
199.14853	7.1
201.16432	7.9
209.13417	6.2
211.14841	7.4
213.16354	5.0
215.17952	3.6
219.17471	3.8
225.16446	6.1
227.12808	21.8
227.18007	6.7
229.19577	5.0
239.17992	5.3
241.19647	5.8
243.15993	3.4
243.21254	2.7
257.18896	11.3
259.20752	6.2
261.22174	5.7
275.20065	64.3
277.21701	5.4
293.21158	3.1
311.23779	2.7
333.24164	4.4
335.25769	33.0
339.27029	3.1
349.23727	16.8
365.28732	3.0
367.29895	6.7
383.33527	2.8
385.31308	4.5
441.33606	6.4
515.36920	2.6
517.40198	12.6
535.41339	14.8
540.27881	2.7
552.26746	2.6
553.42108	6.4
555.40717	5.5
591.44299	5.1
609.45081	82.2
627.28906	6.1
627.46069	92.0
628.46259	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	627.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
55.01875	25.5
55.05264	3.5
55.05513	46.8
57.03430	15.3
57.07060	4.3
65.03944	5.2
67.05503	100.0
69.03415	5.0
69.07067	44.3
70.86001	6.6
71.04976	7.4
71.08632	2.5
72.08352	1.9
77.03941	2.4
79.05492	82.8
81.03399	4.7
81.07056	93.9
83.04990	10.7
83.08620	21.6
85.06544	3.5
91.05479	61.3
93.07045	80.7
95.04961	19.3
95.08607	65.4
97.06532	31.8
97.10180	15.5
99.08095	3.3
103.05492	2.4
105.07034	61.9
107.04946	20.5
107.08592	59.8
109.06510	8.7
109.10160	33.3
110.59899	2.1
111.08087	3.6
115.05442	3.1
116.18987	2.0
117.07037	24.4
119.08580	47.6
121.06492	5.7
121.10146	30.5
123.08099	3.6
123.11686	12.9
125.09629	12.3
128.06203	4.0
129.07002	12.4
131.08572	36.3
133.06482	2.8
133.10133	41.9
135.08054	7.1
135.11697	20.0
137.09599	5.3
137.13274	3.9
141.06969	5.1
143.08542	16.2
145.10124	34.5
147.11679	21.8
149.08485	1.9
149.09602	34.9
149.13251	9.1
151.11169	5.6
155.08574	8.3
157.10162	14.2
159.08061	2.7
159.11697	25.2
161.13263	13.4
163.11168	14.0
163.14809	2.6
169.10135	8.7
171.10341	2.1
171.11679	11.4
173.13193	16.1
175.11240	2.7
175.14877	4.3
177.12755	3.7
179.14226	2.4
181.10107	3.3
181.12173	2.7
183.11749	10.9
185.13226	10.7
187.11205	2.4
187.14819	7.1
189.11227	9.3
189.16409	3.3
195.11734	3.1
197.13255	9.6
199.14865	6.9
203.14351	2.1
210.81625	2.1
211.14880	6.3
213.16342	3.4
215.18021	3.4
225.12888	2.8
225.16388	4.1
227.12782	9.3
227.17987	2.9
229.19542	5.4
237.16324	2.6
239.17949	6.2
241.19615	2.5
243.21014	4.1
257.19000	9.6
259.20526	4.5
261.22168	8.7
275.20056	69.6
277.21716	2.5
285.21967	3.0
293.21130	10.9
325.10037	2.0
333.24155	5.1
335.25824	52.4
349.23755	32.7
351.25223	2.7
367.29974	5.6
383.33167	3.0
385.30884	2.4
441.33270	2.5
505.35275	3.8
513.39111	3.8
515.37341	10.9
517.40601	4.6
535.41333	7.8
553.42175	2.9
591.43701	3.1
609.45178	70.2
610.45825	4.0
624.24542	2.1
627.46259	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.01872	25.5
55.05262	3.1
55.05509	38.7
56.47730	3.0
57.03426	8.7
57.07063	3.3
59.05002	4.2
65.03919	3.2
67.05503	87.1
69.07066	33.7
71.04984	7.9
77.03927	2.7
79.05061	4.3
79.05492	71.3
81.03432	2.4
81.07053	100.0
82.09026	2.7
83.04967	8.3
83.08617	18.4
83.43656	2.5
85.06545	5.8
91.05476	52.3
93.07043	68.5
95.04961	9.6
95.08603	61.7
97.06526	31.8
97.10168	12.4
98.20751	6.9
105.07030	53.3
107.04956	16.7
107.08595	54.7
109.06508	7.3
109.10154	35.0
111.08090	5.7
117.07021	19.8
119.08572	43.1
121.06476	3.8
121.10146	32.8
123.08039	5.3
123.11702	11.1
125.09599	14.2
128.06256	3.0
129.06975	9.1
131.08551	38.0
133.10117	39.5
135.08032	6.2
135.11697	21.0
137.09612	3.2
137.13245	3.3
139.15912	2.7
141.07011	4.3
143.08592	11.5
145.10126	35.7
147.08064	2.9
147.11687	28.6
149.09637	26.4
149.13242	9.4
151.11171	5.9
155.08549	5.2
157.10172	14.6
159.11708	24.0
161.13245	19.2
163.11177	14.6
163.14766	4.7
165.09021	4.7
167.08583	3.2
169.10110	8.4
171.11700	16.6
173.11823	4.2
173.13242	16.0
175.14832	4.9
177.12791	6.7
179.14221	4.2
180.17821	2.7
183.11731	7.9
185.13260	8.9
187.13286	2.6
187.14812	8.4
189.11208	6.4
189.16408	3.7
195.11803	3.7
197.13275	7.3
199.14771	6.7
201.16339	4.2
209.13239	3.3
211.14787	6.4
213.16446	4.3
215.18039	3.8
227.12714	9.7
239.17943	6.8
241.19725	3.3
243.15868	3.5
247.20459	5.9
257.18982	10.2
259.20575	7.4
261.22070	8.8
275.20047	77.4
277.21603	3.8
286.59329	2.6
293.21170	8.6
313.21637	2.6
333.24072	3.1
335.25800	48.0
349.23660	35.1
351.25214	5.5
367.29849	3.9
441.33286	4.2
464.02737	2.7
515.37500	12.8
517.40076	5.7
535.41052	7.8
553.42517	4.4
609.45111	72.4
610.45166	3.5
627.36633	4.8
627.46198	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.8
53.03935	5.6
55.01656	2.4
55.01875	24.4
55.05511	43.0
57.03424	8.4
57.07055	3.6
58.25942	2.3
65.03918	3.1
67.05501	95.2
69.07069	42.9
69.62487	15.0
71.04984	7.7
79.05491	75.8
81.03398	5.2
81.07052	100.0
83.04974	7.8
83.08625	19.4
85.06538	3.7
91.05473	62.9
93.07034	79.9
95.04966	16.5
95.08599	61.8
96.08901	2.3
97.06532	37.9
97.10165	11.1
98.20745	3.7
99.08091	3.2
103.05454	1.9
105.07028	61.1
107.04955	17.3
107.08591	55.8
109.06538	9.7
109.10150	34.2
111.08082	6.4
117.07008	19.6
119.08577	41.7
119.09366	3.9
121.06518	5.5
121.10139	31.6
123.08052	5.7
123.11709	14.7
125.09643	9.6
128.06198	4.2
129.07027	10.8
131.08549	35.8
133.10135	37.9
135.08066	5.1
135.11678	24.3
137.09633	7.9
137.13257	3.5
141.06935	3.0
142.07730	3.2
143.08539	14.1
145.10127	30.7
147.11671	30.0
149.09608	27.8
149.13300	10.1
151.11200	5.4
155.08504	4.0
157.10098	12.7
159.08087	2.2
159.11694	27.7
161.09613	2.7
161.13239	12.8
163.11203	11.4
163.14853	5.3
165.12688	3.0
169.10139	8.2
171.11615	12.1
173.11842	3.4
173.13226	13.3
175.11304	2.6
175.14798	5.6
177.12854	3.3
179.14383	3.4
181.10075	2.7
183.11664	8.9
185.13261	8.5
187.11230	2.8
187.13289	2.4
187.14856	7.4
189.11171	5.6
189.12778	2.3
195.11748	4.2
197.13249	6.7
199.14813	5.6
201.16411	4.8
209.13272	3.8
211.14780	4.2
213.16412	5.4
215.17926	4.8
227.12788	11.2
227.17934	2.5
229.19547	4.9
237.16164	2.8
239.17938	6.9
241.19498	4.8
243.20930	3.7
247.20647	4.0
257.19080	12.7
259.20547	4.9
261.22101	8.0
265.73502	1.9
275.20074	70.3
293.21143	7.9
317.24490	2.4
335.25778	39.2
341.24487	2.3
349.23651	30.8
367.29767	3.0
383.33453	2.9
385.30884	2.2
407.28409	2.4
447.50415	2.2
456.51489	1.9
515.37207	8.5
517.40607	3.2
529.38513	2.4
535.41681	4.9
553.42474	4.1
555.40149	2.0
573.24762	2.0
591.43695	2.4
598.58490	2.8
609.34692	3.0
609.45026	63.1
627.46088	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.8
56.96564	18.0
56.96830	0.8
67.05500	2.4
69.07030	0.9
71.95267	2.2
72.96002	0.9
74.97602	1.6
79.05491	1.7
81.07055	1.6
83.04954	0.4
83.08584	0.6
84.95982	1.2
86.97579	0.3
88.90008	0.3
89.70705	0.3
91.05479	1.9
92.98686	0.4
93.07036	2.1
95.04919	0.8
95.08556	1.4
97.27236	0.3
97.96808	0.5
98.97587	0.6
102.97037	0.4
105.07012	1.7
105.76064	0.3
107.08553	1.1
109.10120	0.8
110.97566	1.4
115.97793	1.1
116.98615	0.7
117.06944	0.4
118.06522	1.1
119.08525	1.3
121.10133	1.0
123.01164	0.7
128.98599	5.7
131.00143	0.4
131.08580	0.5
133.10063	0.8
133.98830	1.3
134.99600	0.6
135.11609	0.6
137.02679	0.6
141.02185	0.5
143.08527	0.4
145.10094	0.9
146.99644	13.5
147.11678	0.3
152.00029	0.4
155.03740	0.9
157.10068	0.6
159.11649	0.5
161.01204	2.8
161.04851	0.4
162.09119	0.6
165.00729	4.5
169.01677	0.4
169.05394	0.6
170.01178	0.9
171.03268	0.6
175.02696	0.8
176.03554	0.4
179.02237	1.3
179.05818	0.6
181.05453	0.3
185.04820	0.7
189.04381	2.4
191.05876	0.3
193.03807	0.7
195.05429	0.3
195.07045	0.4
201.04396	0.6
203.05923	2.2
204.06776	0.4
207.05321	0.5
208.06192	0.6
209.06764	0.4
213.04216	0.4
217.07433	1.0
221.06850	0.4
223.08345	0.4
225.07855	0.7
227.09505	0.7
227.12956	0.3
230.15392	1.0
231.15736	0.7
239.09462	0.7
241.11058	1.3
244.10071	0.4
245.10593	0.9
249.07907	0.3
252.10309	1.3
255.12616	0.4
259.12347	1.8
259.14648	0.3
259.20578	0.7
263.09576	4.3
264.10263	0.4
265.11041	0.6
270.11313	1.4
277.11099	0.5
281.10574	1.7
282.11276	0.6
283.12152	0.7
289.11087	0.6
292.19067	3.5
293.19449	2.8
303.12665	2.2
313.14795	0.7
315.16275	37.5
316.16663	0.6
317.14139	0.4
321.13782	1.0
329.60440	0.3
331.15775	2.8
333.17352	100.0
334.17667	2.2
348.21887	0.5
349.17044	0.5
349.22009	0.6
351.18411	61.8
352.18729	1.0
356.18997	15.1
357.19357	0.6
369.19479	1.9
374.20004	9.9
375.20233	0.4
375.94824	0.4
397.21445	0.4
493.46036	0.4
505.88077	0.3
511.33942	0.4
591.37036	1.2
618.78070	0.4
626.65216	0.4
627.44830	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	627.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.05500	12.7
57.03439	4.1
57.51444	3.2
59.43348	3.0
67.05496	13.6
67.73946	2.8
69.03426	11.5
69.07075	19.8
69.85040	19.7
70.06592	7.1
71.05016	4.9
73.02900	3.0
75.56092	3.4
78.04689	3.7
79.05492	18.7
80.27149	2.8
81.03431	7.3
81.07060	43.5
83.04970	4.0
83.08599	7.0
84.08136	6.9
85.02894	9.4
85.06555	8.3
87.06699	4.0
91.05457	19.3
93.07046	35.8
95.04965	10.0
95.08612	29.9
97.02887	7.1
97.06526	8.8
97.10183	5.4
98.28649	3.0
99.08106	6.9
103.05495	6.0
105.07026	20.1
107.04913	8.0
107.08596	30.5
109.02854	3.1
109.10156	33.5
110.48973	3.3
111.08048	6.1
117.07024	3.6
119.04949	7.1
119.08592	20.0
121.02911	4.8
121.06497	3.5
121.10144	21.0
123.04469	9.0
123.11719	12.7
125.09641	6.1
127.03926	9.4
131.04922	4.2
131.08582	5.4
133.06386	4.2
133.10130	14.0
135.04381	3.2
135.11690	13.7
137.05989	10.7
137.13254	6.3
139.11162	5.8
141.01843	7.5
143.05655	100.0
143.06778	6.0
145.02818	7.1
145.06447	5.4
145.10085	8.7
145.36720	3.2
147.04347	6.4
147.11705	12.6
149.13252	32.6
151.07533	4.5
151.11203	8.0
153.05492	9.4
153.12759	6.7
155.38969	3.7
159.11729	6.5
161.05945	4.5
161.13271	9.3
163.03926	4.9
163.14857	7.4
165.01778	5.8
167.07037	99.3
173.13239	4.5
175.03951	5.2
175.14847	5.5
177.05527	17.9
177.16335	3.5
179.06985	3.8
181.05000	14.1
189.16414	6.1
191.14334	13.7
193.08546	8.0
207.06496	7.1
209.04449	3.5
209.15451	6.7
212.38568	3.4
213.16348	5.2
263.82645	3.4
267.06613	3.4
271.05826	6.2
275.23804	8.0
283.06015	14.9
283.19016	12.3
284.06403	4.3
287.05508	10.9
287.23633	14.7
291.06128	3.4
297.03915	7.9
301.20102	6.9
305.24722	12.9
309.07751	3.9
313.06964	11.9
323.22232	4.3
323.25629	4.2
337.07074	4.3
367.08115	3.6
367.28201	8.0
379.28522	25.5
397.29388	17.6
415.10187	11.0
417.15491	18.4
418.16522	3.8
465.11554	8.9
470.25571	3.7
626.20514	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88927	3.1
51.94391	3.5
52.65408	3.8
53.03919	6.1
55.01851	7.1
55.05503	13.6
57.03444	7.0
57.07053	12.2
63.10361	3.5
67.05505	31.5
68.99785	3.6
69.03436	22.9
69.07065	26.2
69.63159	14.2
69.63583	14.1
70.06591	19.8
71.04983	13.3
72.08147	4.5
79.05499	24.0
81.03411	21.3
81.07051	83.9
83.04945	4.7
83.08608	7.1
84.08143	5.5
85.02897	45.8
85.06066	7.3
85.06538	100.0
86.09718	9.0
87.00826	11.9
87.04430	5.3
91.05463	18.1
93.07030	34.0
95.04977	9.5
95.08608	52.6
97.02876	16.6
97.06527	9.0
97.10167	6.4
99.04456	7.8
99.08075	18.3
105.01855	7.8
105.07034	24.4
105.31237	3.9
107.04970	5.7
107.08594	39.0
108.08111	5.5
109.02894	16.9
109.10151	48.6
111.04441	6.1
111.08048	13.1
111.11755	8.1
113.09618	7.6
119.04931	5.1
119.08569	14.6
121.06532	4.3
121.10134	29.1
123.11696	28.5
125.09637	18.7
127.03891	13.7
131.08531	7.1
133.10136	11.2
135.11684	35.6
137.02292	9.3
137.05986	10.5
137.13232	7.3
139.11163	10.8
143.05656	55.9
145.02789	8.7
145.05002	8.7
145.10130	7.8
147.04399	8.2
147.11705	9.4
149.13324	19.1
151.03888	11.5
151.11076	6.4
153.12755	12.5
157.12224	12.3
159.02898	7.1
159.11710	7.8
161.05905	4.6
161.13272	12.4
163.03830	6.5
163.14822	8.3
165.12735	5.2
167.07042	16.8
168.06506	6.7
171.08078	3.8
175.14818	10.8
177.05392	19.0
177.16386	5.5
181.01323	7.0
181.04851	5.5
184.07283	7.9
189.16434	8.5
191.17917	11.9
193.15875	4.0
201.16441	5.2
207.06517	7.6
211.16966	34.3
215.18080	4.6
229.11855	7.9
229.18022	16.9
249.11230	9.0
258.05197	5.9
271.24115	5.8
277.25232	9.5
286.04724	25.9
287.05521	69.7
288.05820	6.4
289.25165	14.3
295.26266	33.7
303.04996	11.0
307.26309	38.3
313.27310	14.2
319.04434	27.5
325.27390	50.7
343.28320	34.9
447.09726	5.2
465.11322	6.2
609.23889	7.2
627.24225	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	627.2811
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01863	1.0
55.05507	1.5
57.03422	0.7
65.03941	1.1
67.05499	5.1
68.65635	0.6
69.03405	0.6
69.07064	1.6
70.02953	0.8
72.96487	0.8
77.29944	0.6
79.05487	2.7
80.05033	0.8
81.03397	1.4
81.07053	3.2
85.73180	0.6
91.05457	4.1
92.05006	2.3
93.07056	2.2
95.04964	1.5
95.08621	2.2
97.06522	0.8
98.20736	1.8
105.07033	2.2
106.06544	1.6
107.08601	2.0
109.10173	1.6
117.07039	0.7
118.06548	6.2
119.08555	0.9
120.04491	1.2
120.08149	1.0
122.06087	0.9
129.07054	1.6
130.06555	1.6
131.08546	1.6
132.08105	2.0
132.77782	0.7
133.10110	1.2
135.11728	0.7
136.07617	1.4
141.07086	0.9
144.08064	0.9
145.10126	1.6
146.09662	1.5
159.11797	1.1
160.11237	0.9
162.09143	7.3
163.09857	2.0
164.10402	0.6
170.08444	0.8
172.07654	1.0
174.09181	4.5
176.10718	0.8
186.09203	0.8
187.08696	1.5
187.12292	4.2
188.10738	2.0
197.10783	2.1
199.08582	1.0
202.15945	1.0
209.10800	0.8
210.07733	0.8
211.08691	2.2
212.09410	0.9
213.13950	0.8
215.11829	3.0
224.09537	1.5
225.10278	2.9
226.10982	1.9
227.11597	3.4
227.67113	0.8
230.15387	8.4
231.15784	2.4
237.10252	1.2
239.08131	1.2
239.11891	2.6
241.13399	2.6
243.11270	23.9
249.10254	2.0
250.08853	0.8
251.12137	1.1
252.09032	1.0
253.09850	2.4
255.11288	1.0
267.11337	6.8
269.09369	0.7
269.12820	1.8
277.09781	2.4
285.12482	2.2
291.11221	1.2
292.19052	24.7
293.19379	10.6
295.10840	2.2
297.12384	0.7
299.14102	1.6
301.12415	1.1
301.15375	3.6
304.19086	0.8
309.12424	2.4
314.12869	1.7
315.13733	1.4
316.10928	1.8
317.11636	1.0
319.10583	1.0
320.14172	1.1
325.15521	8.1
327.13437	7.4
328.10706	2.3
328.14606	1.9
329.11652	1.2
329.15317	0.9
330.12457	2.4
331.13199	1.1
334.15558	2.0
342.12308	3.6
343.13086	3.4
344.13919	3.9
345.14694	2.6
346.15515	2.3
348.13354	3.5
348.21808	2.7
349.22156	1.3
354.12396	1.3
355.13318	1.2
356.13931	3.3
357.14923	1.8
358.15533	4.2
359.16217	0.8
360.16946	1.0
370.11563	1.1
370.15640	2.0
371.16412	0.8
372.17239	4.8
374.15015	1.5
384.17462	1.2
386.14828	1.4
386.19217	1.1
390.18686	0.9
399.16177	0.8
400.16702	2.2
403.15854	1.4
412.16684	1.8
417.16486	1.0
418.17233	1.3
419.18588	1.4
420.16269	1.5
421.16968	1.3
424.15659	0.9
430.17557	1.5
431.18369	1.4
432.19412	3.4
433.20624	1.1
435.14069	1.5
437.20343	1.7
439.17468	0.8
441.19791	0.8
447.22235	1.4
449.15381	1.2
449.20471	1.5
450.21548	1.1
451.17151	1.7
459.18283	1.0
460.18323	1.2
461.23743	1.3
462.24850	1.0
463.21857	3.6
464.18365	0.9
465.18799	12.1
474.20392	1.1
475.21939	0.8
476.20575	1.1
477.19214	1.5
478.19485	1.2
479.20496	7.2
480.21652	2.9
481.22461	2.5
489.23019	1.6
490.20517	1.4
491.20914	1.2
492.21869	3.3
493.22702	3.7
494.23148	0.9
495.16687	5.0
504.21313	3.7
505.22409	0.9
507.23981	5.5
508.20566	0.9
517.22583	2.2
534.22925	0.9
535.23334	6.5
536.24707	0.9
549.24854	12.6
552.23975	1.3
553.24469	2.2
563.22839	1.6
567.18732	5.0
567.26068	67.2
568.26642	2.0
577.24561	1.9
585.19495	1.0
595.25470	48.4
596.25989	1.3
609.27203	1.8
626.44196	15.0
627.28156	100.0
627.43933	31.5
628.20782	9.0
628.29749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.38294	0.9
50.72248	1.0
55.05515	1.7
57.03448	1.4
66.44257	1.0
67.05505	5.7
67.47022	0.9
67.79760	1.1
69.07075	3.2
69.27507	6.7
69.27931	4.8
70.19216	1.0
79.05499	4.2
81.03443	1.1
81.07050	5.2
83.04980	1.8
83.08626	1.3
91.05489	4.1
93.07059	4.3
95.04946	1.0
95.08602	2.9
97.06511	1.3
105.07032	2.4
107.08611	2.0
108.08978	1.2
109.06544	1.3
109.10164	1.9
117.96420	1.2
118.06573	3.6
119.08534	2.4
120.04485	1.8
121.10159	2.1
131.08566	2.1
133.10107	1.7
143.08502	2.1
145.10123	1.8
151.52527	1.2
153.18915	1.1
162.09175	1.3
162.71370	1.2
174.09152	4.6
183.11775	1.4
187.12291	5.4
188.10721	2.0
197.10823	1.9
215.11826	3.0
224.09520	1.2
225.10257	2.5
227.11841	2.3
230.15535	3.5
237.10243	1.6
239.11848	2.6
241.13271	1.4
243.11285	24.6
243.13533	1.7
249.10301	3.0
251.12016	2.0
267.11230	6.4
269.12820	1.3
277.09790	1.3
291.11050	1.1
292.19113	6.3
293.19464	2.9
295.10867	2.6
301.15601	1.5
312.15112	1.3
314.13055	1.5
314.90659	1.2
316.11017	2.4
316.14474	1.2
319.10800	1.7
325.15479	12.3
327.13550	2.2
328.10916	3.0
328.14478	1.7
329.11609	2.5
329.15323	1.5
330.12497	2.8
334.15564	1.8
342.12469	3.5
343.13385	4.4
344.14050	3.5
346.15585	2.5
347.28271	1.4
348.13580	3.4
351.13580	1.7
356.14130	3.1
357.14929	1.8
358.15564	3.5
370.15677	2.2
372.17261	4.8
374.15018	1.4
386.14893	1.8
400.16690	1.3
407.14902	1.7
418.17844	2.0
419.18973	1.2
422.17792	1.5
430.18118	1.4
431.18503	1.2
432.19241	4.7
435.13898	2.0
435.19009	2.1
437.20038	2.4
447.22409	2.4
449.15759	1.7
450.16452	1.4
450.21613	1.3
451.17667	2.1
461.23901	2.5
462.24042	3.7
463.21890	1.5
465.18829	14.1
466.20111	2.1
475.20007	1.2
477.19452	1.9
479.20718	6.7
480.21729	4.0
481.22522	4.1
489.23264	1.6
490.19888	1.4
491.20920	1.3
492.21667	3.3
493.22272	3.7
494.23691	1.4
504.21201	2.2
507.23792	6.0
508.20731	2.5
517.22620	2.1
521.25562	2.0
535.23450	9.1
541.24225	1.2
549.24927	13.2
552.23669	1.8
563.23004	1.5
567.26031	92.0
568.26447	1.6
577.24847	2.9
595.25513	100.0
626.44354	7.9
627.28198	45.2
627.44379	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	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01845	0.4
56.42641	0.1
57.03414	0.5
61.02916	0.9
67.99918	0.1
68.99781	0.5
69.03426	2.4
69.73479	0.2
69.73885	0.7
70.06582	0.1
71.05017	0.3
73.02894	0.4
81.03414	0.9
85.02896	6.1
87.04462	0.3
91.03911	0.4
95.04940	0.2
97.02888	2.0
99.04435	0.3
109.02869	1.1
111.00817	0.7
121.02855	0.8
123.04434	0.3
127.03916	1.4
135.04381	0.2
137.02327	2.7
137.03258	0.1
143.05646	0.6
145.04944	0.8
145.06390	0.1
149.02319	0.5
151.03891	0.3
153.01813	3.9
161.05957	0.3
163.03908	0.6
165.01830	1.6
166.02579	0.2
173.05960	0.4
177.05524	0.2
183.02919	0.7
187.03893	0.3
195.02763	0.2
201.05408	1.0
213.05495	0.1
219.03076	0.2
219.06548	0.3
229.04958	3.3
233.04515	0.2
247.06059	0.7
257.04446	2.4
272.69711	0.1
274.04681	0.5
275.05429	0.2
281.57028	0.1
285.03918	0.9
303.04959	100.0
304.05350	1.8
319.04550	0.2
345.05869	0.2
377.86557	0.1
432.06342	0.1
444.60837	0.1
465.10236	6.9
466.10614	0.2
558.13226	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	627.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
55.01843	0.2
57.03427	0.5
60.32283	0.1
61.02925	3.7
65.03933	0.1
68.99778	0.4
69.03426	0.9
70.06576	0.5
71.01333	0.2
71.04969	0.3
71.17894	0.3
73.02903	1.0
81.03414	0.4
85.02901	3.9
91.03960	2.4
93.03403	0.2
95.04974	0.3
97.02892	2.4
98.97588	0.2
99.04443	0.2
107.04938	0.2
108.35682	0.1
109.02866	0.5
110.03662	0.2
111.00779	0.8
111.04453	0.2
115.03902	0.3
119.04892	0.3
121.02844	0.7
123.04414	0.4
127.03912	1.1
135.04404	0.3
136.07610	0.2
137.02322	3.3
137.03389	0.2
137.05927	0.1
143.05646	1.1
145.02837	0.4
145.04930	0.7
145.06474	0.2
147.04388	0.6
149.02322	0.4
149.88402	0.1
153.01830	3.5
161.05989	0.2
163.03938	0.8
164.07137	0.2
165.01837	1.9
166.02539	0.2
173.06015	0.4
175.03912	0.2
177.05467	0.5
183.02875	0.8
183.04341	0.2
187.03954	0.3
191.03375	0.2
195.02861	0.3
201.05479	1.2
207.02896	0.2
207.06514	0.2
213.05507	0.3
215.03323	0.2
217.72766	0.2
219.06479	0.2
229.04944	4.1
239.03523	0.2
247.05971	0.6
257.04449	3.0
274.04721	0.9
275.05511	0.2
285.03998	1.1
300.10458	0.2
303.04984	100.0
304.05322	2.5
315.04788	0.2
345.05865	0.4
349.75079	0.2
353.16675	0.2
465.10324	8.2
528.65314	0.1
609.25537	0.2
627.19305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01870	0.7
56.96570	0.3
57.03432	0.4
59.80524	0.3
65.07481	0.3
65.87504	0.3
67.05479	0.3
67.29066	0.3
68.99799	0.3
69.03431	1.6
70.01749	1.2
70.06566	0.5
71.04981	0.9
79.05476	0.9
79.87631	0.3
81.03424	1.7
81.07037	0.7
85.02914	2.7
87.00810	0.9
90.88583	0.3
91.05463	2.9
93.07037	0.6
94.04174	0.5
95.03103	0.3
95.04952	1.0
95.08603	0.5
97.02882	1.4
99.04419	0.5
103.05471	6.3
105.01868	0.7
105.07001	0.7
107.04925	0.8
107.08574	0.3
109.02862	1.0
109.06493	0.5
114.44685	0.3
115.05447	0.8
117.03297	0.4
117.07014	2.0
119.04946	0.8
121.06519	0.6
121.10092	0.4
121.38282	0.3
121.76820	0.3
122.03641	1.2
123.08109	0.4
127.03867	1.7
128.06201	0.7
129.07024	0.4
131.04922	14.0
131.08525	0.5
133.06468	0.8
135.08020	1.0
137.05972	20.1
143.05641	1.4
143.08546	1.0
145.02740	0.7
145.04927	0.4
145.06453	0.9
147.04396	0.5
149.05984	0.6
151.03949	0.4
151.07542	5.9
153.01820	0.4
157.06374	0.4
159.02931	0.3
161.05934	1.9
162.06741	1.9
163.07536	40.0
164.07896	0.4
167.07031	0.9
171.08052	0.8
175.04001	0.3
175.07513	2.9
177.09099	100.0
178.09387	0.5
189.09085	1.1
195.08195	0.4
195.10130	1.8
203.10600	0.6
207.06516	0.5
216.64415	0.3
219.10167	0.5
221.11725	19.9
223.07510	0.5
227.10640	0.6
255.10236	0.5
265.08575	0.8
267.10040	0.5
285.11041	0.4
287.05472	1.9
287.12769	0.8
288.05954	0.4
293.12024	0.4
299.12683	0.9
302.07315	0.7
311.12811	1.3
313.14261	0.7
331.15231	2.2
343.15347	2.3
345.16574	0.4
421.16446	0.6
443.02054	0.3
626.23041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04111	1.6
53.03952	3.8
55.01875	10.8
55.05257	3.1
55.05512	39.8
57.03438	9.6
57.07072	6.1
62.40840	1.7
65.03948	4.8
67.05504	73.7
68.05830	1.8
69.03423	5.4
69.07069	34.3
71.04990	7.4
71.08627	1.9
71.60919	3.1
79.05487	51.7
81.03419	7.0
81.06577	3.8
81.07056	80.4
83.04975	9.2
83.08622	17.3
85.02902	2.1
85.06551	3.9
91.05479	57.8
93.07037	51.9
95.04967	13.6
95.08598	46.6
95.09161	3.1
97.02876	2.0
97.06515	16.0
97.10178	10.1
99.08088	3.4
102.73688	1.5
105.07023	58.1
107.04980	5.5
107.08595	38.7
109.06523	11.0
109.10159	27.4
111.08106	6.5
116.06252	2.0
117.07004	21.9
119.08578	41.4
121.06506	3.4
121.10145	21.3
123.08076	5.9
123.11723	9.2
125.09651	7.9
127.03924	2.4
128.06236	5.4
129.06999	18.3
130.07768	1.8
131.08562	36.3
133.06487	3.4
133.10121	32.1
135.08122	5.7
135.11673	14.7
135.12517	1.8
137.09633	3.7
138.27103	1.9
139.11111	1.7
141.06956	8.8
142.07794	6.2
143.08557	23.6
145.06528	2.4
145.10123	34.1
147.08069	4.0
147.11679	24.2
149.09641	6.6
149.13283	6.4
151.11185	3.1
153.06960	1.7
153.12685	2.3
154.07813	2.9
155.08537	17.0
157.10123	26.7
159.08069	2.0
159.11690	22.6
161.09616	3.2
161.13281	11.1
163.11241	6.0
165.12746	3.4
167.08574	7.6
168.09395	2.5
169.10094	17.6
171.11699	17.1
173.09676	3.8
173.13219	16.4
175.11279	4.2
175.14851	5.3
177.12854	4.2
180.09348	2.3
181.10112	9.6
183.11676	17.4
185.09563	2.2
185.13255	16.2
187.11244	3.8
187.13300	1.9
187.14851	6.9
189.09564	2.1
189.11186	3.2
189.12822	3.0
189.16418	2.5
193.10123	3.1
195.11717	11.8
195.13560	2.3
197.13290	14.9
199.11348	2.5
199.14883	8.5
201.16446	3.9
207.11720	4.2
209.13292	10.4
211.14777	8.5
213.16492	5.9
215.14308	1.8
215.17928	3.3
217.15906	1.8
221.13252	5.4
223.14912	5.6
225.16473	6.5
227.12631	2.9
229.14325	2.0
229.19510	2.6
233.13255	2.4
235.14900	2.6
237.16461	6.3
239.17929	4.8
241.19580	5.6
249.16460	2.5
253.19525	2.6
257.19107	2.3
259.20609	9.9
260.03552	2.1
273.18597	4.4
275.20026	15.0
277.21744	3.3
295.20532	2.5
309.22214	2.1
313.21744	2.8
315.23230	3.1
333.24353	4.4
339.23141	2.7
349.23773	4.9
353.24832	3.4
363.26862	2.5
365.28369	3.2
371.25888	3.1
381.31946	2.7
389.27267	3.9
421.30890	5.8
439.32208	3.3
445.29382	17.8
463.30624	6.0
495.34708	2.9
497.37701	2.9
505.40070	3.0
513.35785	23.3
515.38898	6.2
527.37555	7.6
533.39777	15.5
551.40717	11.4
555.37030	3.2
589.42987	2.4
597.45648	2.0
607.43555	52.9
625.36084	4.2
625.44672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92822	1.4
53.03947	5.3
55.01873	16.4
55.05510	42.0
57.03438	9.6
57.07066	4.7
59.04985	1.6
65.03939	4.4
67.05502	75.0
69.03429	3.8
69.07067	40.0
70.73432	2.3
70.73772	1.8
71.04990	8.6
79.05491	54.6
80.05838	1.3
81.03416	6.0
81.07056	71.9
82.07377	2.7
82.74407	1.2
83.04971	8.3
83.08614	19.5
85.06554	4.4
91.05477	45.9
92.05806	1.9
93.07043	47.1
95.04964	12.3
95.08606	39.6
97.02934	2.1
97.06536	17.6
97.10163	14.8
99.08102	2.9
103.05505	2.6
105.07028	48.5
107.04960	9.2
107.07876	1.9
107.08592	34.1
109.06527	7.5
109.10151	24.6
111.04433	1.3
111.08100	5.5
115.05486	4.3
117.07004	23.1
119.08578	33.2
120.08942	1.9
121.06484	3.0
121.10146	18.8
123.08092	2.4
123.11676	12.5
125.08874	1.1
125.09644	8.8
128.06210	7.0
129.07008	21.5
131.08563	35.3
131.09499	2.0
132.09047	1.4
133.06511	2.9
133.10132	27.7
133.11079	2.1
135.08083	6.3
135.11682	11.7
137.09656	4.3
139.11221	2.5
141.06973	9.5
142.07791	4.2
143.08565	29.2
144.09340	1.4
145.06512	3.7
145.10115	29.8
146.10512	2.0
147.08093	3.2
147.11685	18.3
149.09621	6.1
149.13304	5.3
151.11197	3.9
153.06960	3.4
153.12773	1.6
154.07727	1.7
155.08539	17.3
156.09343	3.9
157.06435	1.4
157.10121	23.5
159.08104	2.9
159.11681	21.5
159.50050	1.3
161.09657	3.4
161.13229	9.0
163.11237	4.8
163.14809	2.8
165.07088	3.3
166.07828	2.1
167.08545	7.4
168.09377	3.6
169.10114	22.1
170.10895	4.0
171.11676	24.5
173.09616	3.0
173.11829	1.7
173.13216	13.5
175.11105	2.1
175.14857	5.4
177.12848	2.2
179.08572	3.9
179.14310	2.1
181.10095	12.6
182.10930	2.2
183.11682	23.7
184.12526	1.5
185.09669	1.5
185.13243	17.2
187.11188	1.7
187.13350	2.8
187.14877	6.1
189.11258	4.4
189.12788	2.1
193.10149	4.7
193.12051	1.5
195.11693	13.6
197.13237	16.9
199.14804	10.5
201.12761	2.2
201.16460	4.7
203.18118	1.5
206.71230	1.4
207.11734	4.8
209.13260	9.9
211.14839	10.7
213.16481	6.2
215.17892	3.0
217.15948	1.8
219.11514	1.5
221.13254	4.4
223.14781	9.8
225.16464	5.8
227.12698	7.1
227.18018	4.1
229.19600	2.4
233.13162	1.7
235.14851	4.9
237.16460	5.7
239.18056	5.6
241.19585	7.2
243.15950	5.2
249.16391	5.7
251.18011	4.8
253.19540	2.8
255.17345	1.9
255.21338	2.0
257.19104	5.9
259.20572	8.4
261.16196	2.2
263.18073	2.0
265.15994	1.4
267.15924	2.0
273.18576	3.1
275.20166	13.5
276.20563	1.8
277.21674	2.3
279.20996	1.5
291.19614	2.8
297.22058	2.1
299.19949	1.8
309.21936	1.9
325.21332	1.5
333.24393	5.2
339.23242	2.4
341.24820	1.6
347.22504	1.4
349.24026	5.1
365.28439	8.9
376.99771	1.7
379.30063	2.1
381.31989	2.4
383.29669	2.7
421.31033	5.5
439.32043	3.0
453.33969	1.6
463.31671	1.9
495.34647	1.9
497.38348	2.1
513.35797	19.8
515.38928	9.8
527.37408	3.7
533.39697	11.9
537.35663	1.9
551.41003	9.4
555.36334	1.7
589.42352	1.8
597.44995	1.7
607.43573	54.6
608.43866	1.7
625.44580	100.0
626.44763	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	625.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01871	8.9
55.02115	1.4
55.05510	22.5
55.05753	1.1
56.04617	0.7
57.03434	16.8
57.07032	2.4
59.04963	0.8
60.42986	0.6
65.03940	4.1
67.05501	68.8
67.05844	2.3
69.03427	6.5
69.07063	25.1
69.36395	6.2
71.04990	4.3
77.03890	0.9
79.05489	59.5
81.03407	4.2
81.07055	53.3
81.07505	1.8
81.07746	1.0
82.37219	0.6
83.04961	4.4
83.08618	9.4
85.06540	13.1
91.05476	43.8
93.07038	54.6
94.04181	0.7
95.04966	37.4
95.08601	34.0
96.05239	0.7
97.02889	5.4
97.06530	7.1
97.09637	0.6
97.10155	8.8
98.38064	0.5
99.08049	1.5
103.05436	1.8
105.04465	1.0
105.07026	28.3
107.04954	9.2
107.08593	27.9
109.06516	48.0
109.09465	1.1
109.10146	14.9
111.04451	0.8
111.08077	3.5
113.06001	36.3
113.63776	0.6
115.05404	2.0
116.06209	1.3
117.07014	16.0
119.04903	0.7
119.08580	21.0
121.05756	0.6
121.06493	6.0
121.10137	17.5
123.04366	1.1
123.08086	4.6
123.11690	3.3
125.09627	6.0
128.06161	2.6
129.07005	8.9
130.07733	1.4
131.08563	22.4
133.06454	4.2
133.10130	13.4
134.53261	0.6
135.08047	31.9
135.11687	12.1
136.08321	0.8
137.05965	0.8
137.09572	2.4
139.11127	0.7
141.07022	1.4
142.07765	1.7
143.08553	8.9
144.36998	0.6
145.06511	1.5
145.09030	1.0
145.10115	14.6
147.07076	0.6
147.08046	7.1
147.11664	7.8
149.09631	4.7
149.13239	5.8
149.42931	0.6
151.07547	0.9
151.11165	1.3
153.09111	0.8
155.08524	3.4
156.09241	0.6
157.10123	7.5
159.08038	3.5
159.11696	9.5
161.09616	8.8
161.13258	3.1
163.11143	3.1
163.14761	1.4
165.06995	0.8
165.09074	1.7
165.12730	0.7
167.08504	1.2
169.10069	2.8
171.11658	5.0
173.09656	1.4
173.13210	6.2
175.11188	2.9
175.14827	1.8
177.12749	3.4
179.14262	1.0
181.10063	2.3
183.10211	0.8
183.11624	3.9
185.09616	1.1
185.13217	4.0
187.11125	1.9
187.14745	1.7
189.11154	1.5
189.12701	1.2
189.16304	1.0
191.10719	0.7
195.11679	2.3
195.13771	2.4
197.13164	2.1
199.11104	1.3
199.14754	4.0
201.12666	1.2
201.16367	0.8
205.12198	1.5
208.12245	0.6
209.13289	1.5
211.14752	1.1
213.12662	1.0
213.16414	1.0
215.17738	0.7
217.15851	13.2
219.13776	1.4
219.17418	0.9
223.13217	8.4
227.12794	1.8
227.17920	2.1
233.15320	1.8
237.16409	1.8
243.21021	0.8
245.18948	2.8
255.17474	3.0
257.19205	0.6
261.22119	3.3
263.20200	0.8
263.30725	0.6
273.18475	31.6
274.18900	1.1
275.20074	2.7
279.15872	1.2
284.57361	0.6
291.19528	100.0
292.19870	2.8
309.20596	2.4
317.24841	1.6
333.24280	0.8
335.25775	5.0
347.22186	5.1
365.23337	1.9
515.38757	0.9
533.39996	1.6
534.40735	0.7
551.41010	1.5
567.40076	0.9
569.42743	0.6
579.18561	0.7
607.43439	5.8
625.44623	61.3
626.45129	3.3
639.48700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.7
55.01872	9.9
55.05513	34.0
57.03442	6.8
57.07064	3.5
59.04997	1.9
64.19364	1.1
65.03928	3.0
66.04624	1.1
67.05505	52.3
69.03427	2.3
69.06719	2.1
69.07067	23.6
71.04994	4.6
71.12440	2.7
74.03780	1.0
79.05493	37.0
81.07060	48.6
83.04976	4.7
83.08621	15.4
85.06535	2.7
91.05482	36.2
93.07049	33.9
95.04978	7.0
95.08604	29.4
95.41613	1.3
97.06525	12.1
97.10167	14.6
103.05440	2.2
105.07033	36.1
107.04972	2.2
107.08600	24.3
109.06508	4.7
109.10157	18.6
111.08093	3.3
115.05459	3.3
116.06209	1.9
117.07014	19.2
119.08591	29.4
121.06506	1.8
121.10137	14.4
123.08080	3.0
123.11701	10.0
125.09647	9.4
128.06195	6.4
129.07002	20.5
130.07771	2.2
131.08566	26.8
133.10121	20.8
135.08080	3.7
135.11707	8.0
137.09607	1.8
137.13396	1.2
139.11200	1.7
141.06976	8.7
142.07800	5.7
143.08551	21.9
144.09323	2.1
145.06491	1.8
145.10124	24.4
147.08038	1.9
147.11676	10.6
149.09634	5.6
149.13313	3.8
151.11201	3.0
153.07053	1.5
154.07776	3.2
155.08553	14.4
156.09331	2.8
157.10117	22.7
157.11296	1.8
158.10855	1.4
159.11678	17.9
161.09692	1.8
161.13235	7.4
163.11206	3.8
163.14786	1.4
165.07054	2.1
166.07779	1.4
167.08595	6.8
168.09354	2.6
169.10135	20.5
170.10797	2.0
171.11702	18.3
173.11847	2.2
173.13284	9.6
175.11246	1.9
175.14857	3.4
179.08598	2.7
180.09370	1.5
181.10176	9.3
181.11533	1.3
182.10950	3.2
183.11684	18.8
185.09702	1.5
185.13242	14.1
187.11113	1.5
187.13284	4.0
187.14862	6.8
189.11266	3.1
189.12749	1.2
193.10133	3.7
194.10852	1.9
195.11655	10.0
197.13295	14.9
198.13849	1.3
199.11247	1.4
199.14804	8.2
200.62489	1.5
201.16476	3.7
203.14256	1.4
207.11700	5.6
208.12534	1.4
209.13293	9.0
211.14839	10.9
213.16501	6.2
221.13274	4.8
223.13029	1.3
223.14781	6.3
223.16803	1.5
225.16451	5.9
227.12613	6.1
227.17976	5.3
229.19643	1.7
233.13132	1.7
235.14883	2.3
237.16406	4.4
239.18044	5.2
241.19550	4.7
243.16000	4.7
249.16490	3.4
251.18057	3.1
253.19676	2.8
257.19025	4.6
259.20605	3.8
265.19562	2.5
267.21066	2.2
273.18582	2.3
275.20145	9.9
279.21103	2.4
283.20673	1.6
299.23547	1.7
306.04941	1.4
307.20810	1.7
309.21976	2.3
311.23773	1.8
323.23724	2.0
325.21765	1.3
329.24686	1.4
333.24396	3.9
337.25317	2.0
339.23221	1.7
339.26880	1.5
349.23901	4.6
363.26999	2.0
365.28433	9.3
379.30035	2.3
381.31638	4.7
383.29507	4.0
421.31140	3.8
439.32166	5.2
467.06735	1.4
495.34430	1.7
505.40594	1.5
511.38202	1.5
513.35803	18.3
515.39063	8.1
527.37311	1.7
533.40100	9.3
551.41266	6.3
555.36798	1.6
567.40411	1.6
589.42529	2.2
607.43567	46.5
608.43860	3.9
625.44641	100.0
626.44708	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.8
51.08535	0.4
53.03945	2.8
55.01873	5.9
55.05511	12.3
55.05758	0.5
57.03436	21.3
57.03694	1.1
57.07030	2.1
59.36057	0.4
65.03947	4.2
66.04688	0.5
67.05505	56.5
67.05849	2.1
69.03381	1.8
69.07069	12.2
69.34618	5.0
71.04993	3.7
77.03879	1.0
79.05492	45.0
81.03430	2.6
81.07056	40.2
82.07349	0.6
83.04990	3.2
83.08620	4.6
85.06543	13.8
91.05478	36.1
93.07043	42.9
95.04966	41.5
95.08603	25.4
97.06523	4.7
97.10184	2.7
97.10681	0.6
98.21563	1.0
99.04414	0.9
99.08035	1.1
103.05419	1.1
105.04477	1.1
105.07030	23.9
107.04952	7.0
107.08594	20.8
108.28220	0.5
108.55386	0.5
109.06516	56.2
109.10147	7.9
111.08102	2.6
113.06003	40.2
115.05438	1.9
116.06207	0.5
117.06244	0.6
117.07018	12.7
119.08582	15.3
120.08961	0.5
121.06483	4.4
121.10146	14.3
123.04345	0.8
123.08057	3.9
123.11662	1.7
125.05960	0.5
125.09579	2.1
128.06187	2.2
129.06999	7.0
130.07776	0.9
131.07578	0.8
131.08563	20.0
133.06491	2.6
133.10124	10.6
135.08054	37.5
135.11682	10.5
137.05989	1.2
137.09575	1.7
137.13243	0.5
141.07002	1.0
142.07761	0.9
143.08557	9.0
145.06432	1.4
145.10115	13.3
147.08046	4.9
147.11690	5.1
149.09637	5.6
149.13260	4.8
151.11150	1.1
155.08507	1.9
157.09135	0.6
157.10133	6.3
159.08078	2.7
159.11673	7.6
161.09619	9.2
161.13237	2.4
163.11201	2.4
163.14867	1.0
165.09094	1.6
169.10127	1.6
171.11626	3.9
173.09607	1.3
173.13237	4.9
175.11221	3.5
175.14923	1.0
175.85081	0.5
177.12747	3.2
179.14244	1.2
181.10100	1.3
183.11684	2.8
185.09560	1.5
185.13289	2.6
187.11160	2.2
187.14766	2.0
189.12729	1.2
189.16330	1.3
191.14285	0.9
195.11670	1.7
195.13789	2.8
197.13286	1.1
199.11121	1.3
199.14839	4.4
201.12764	2.5
205.12245	0.6
211.14790	0.6
213.16451	0.7
217.15877	16.5
219.13763	1.0
223.13298	1.5
227.18022	1.6
233.15289	2.4
235.16855	0.9
237.16342	1.9
245.18903	3.0
255.17451	3.7
259.20630	0.8
261.22153	1.9
273.18494	36.3
274.18851	0.9
275.19888	1.4
279.15866	1.2
288.21976	0.6
291.19537	100.0
292.19803	1.7
309.20636	2.5
335.25793	9.3
347.22046	4.9
349.23654	0.6
365.23334	1.9
454.97464	0.5
515.38654	0.7
533.39844	0.7
567.40759	1.5
607.44171	4.0
625.44617	38.4
626.45032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42462	1.3
50.75502	1.2
51.92987	1.4
53.03944	4.8
55.01870	34.7
55.05506	25.4
57.03434	14.1
57.07066	2.4
57.68148	1.4
65.03950	3.2
67.05501	63.8
69.03436	3.5
69.07067	72.8
69.28645	8.3
69.29073	8.1
71.04991	5.3
72.98701	1.4
75.73869	1.4
77.03927	1.8
79.05490	50.1
81.03423	7.6
81.07056	67.5
83.04977	9.2
83.08630	11.7
84.08208	1.5
85.06559	2.3
91.05479	59.1
93.07043	49.5
95.01351	5.8
95.04964	11.3
95.08607	43.2
97.06524	48.8
97.10183	7.9
98.20731	2.9
99.08097	3.3
103.05495	1.8
105.07031	59.6
106.02087	1.5
107.04959	15.1
107.08585	28.1
109.06523	8.7
109.10161	17.8
111.08094	3.7
113.72561	1.6
115.05506	4.6
115.44113	1.5
117.07007	24.1
119.08580	48.1
119.36041	1.4
121.06529	4.8
121.10136	15.8
123.08099	5.7
123.11717	3.1
125.09641	5.6
128.06273	4.8
129.07008	19.0
130.07825	2.2
131.08557	43.1
133.06543	3.5
133.10126	41.1
133.11092	2.7
135.07115	1.5
135.08072	7.2
135.11676	13.6
137.09651	5.5
139.11198	2.2
141.07008	6.6
142.07779	3.7
143.08548	22.7
144.09297	1.7
145.06537	5.0
145.10121	35.2
147.08055	4.2
147.11681	23.0
149.09647	8.4
149.13286	7.8
151.11226	2.5
153.07016	1.9
154.07773	2.3
155.08565	16.8
156.09373	2.4
157.10132	23.4
157.11324	2.1
159.08031	2.3
159.11685	29.6
159.12878	2.6
161.09676	5.3
161.13246	17.2
163.11237	5.3
165.09100	1.7
167.08635	6.0
169.10115	19.8
169.11427	2.3
171.08090	2.9
171.10260	2.9
171.11668	29.5
171.13135	1.9
173.09624	1.6
173.13235	17.1
175.11270	4.8
175.14819	10.1
177.12813	4.5
179.08530	3.0
179.14359	6.2
181.10081	9.5
182.10910	2.0
183.11688	16.9
185.09755	2.4
185.13223	17.9
187.11256	3.8
187.14774	9.3
189.12744	3.8
189.16530	2.3
193.10191	1.8
195.11707	11.6
197.13245	11.0
199.11398	2.3
199.14868	12.5
201.12840	2.0
201.16457	3.6
203.14330	1.4
207.11778	4.3
209.13278	9.5
211.14871	8.4
213.16470	6.6
215.18040	1.9
219.17520	1.7
221.13269	5.3
223.14891	7.3
225.16428	4.0
227.17999	2.5
231.17378	2.0
231.21170	3.1
233.18929	1.5
235.14842	4.3
237.16399	4.5
239.18007	6.0
241.19571	17.4
245.18996	1.7
247.20772	2.8
249.16383	2.2
257.19095	9.3
259.20602	17.7
265.19424	1.7
269.22873	2.0
273.18591	6.2
275.20087	40.4
276.82867	1.4
277.21725	2.4
279.16180	2.2
279.21231	2.9
283.20578	2.6
291.19617	5.1
293.20993	3.5
297.22131	2.3
311.20233	2.2
311.23782	2.9
313.21793	2.2
315.23288	5.3
333.24277	17.0
335.25842	4.5
347.22543	2.6
349.23703	24.5
353.24637	1.7
355.26199	2.2
363.26907	2.1
371.26038	1.7
375.27225	2.2
417.31458	2.2
419.33063	4.5
421.31076	4.1
435.32892	8.2
437.34232	19.5
445.30334	1.9
447.31854	2.3
453.33820	2.7
455.35449	1.8
487.39410	1.7
493.36880	3.0
501.35568	3.2
505.40433	2.1
509.36230	4.1
511.38065	10.7
513.35858	10.0
515.38770	7.1
527.37268	4.9
529.39081	8.4
533.40167	11.3
551.41217	8.9
553.38879	2.4
555.36816	5.4
556.37933	3.7
589.42395	2.2
597.45673	4.2
607.43549	58.0
608.43195	2.6
625.28613	3.6
625.44592	100.0
626.44946	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18238	0.9
53.00301	0.9
53.03944	4.6
53.50367	0.9
53.83043	0.9
55.01871	17.3
55.05512	25.8
57.03438	7.6
57.07059	4.0
59.04988	1.1
64.57950	1.0
65.03932	4.4
67.05504	56.8
68.05834	0.9
69.03431	2.5
69.07067	43.3
69.71735	1.1
71.04993	3.1
71.08623	1.2
78.28099	0.9
79.05491	46.1
80.05804	1.1
81.03422	5.1
81.07056	60.9
82.07354	1.0
83.04974	6.5
83.08616	14.6
85.06537	3.8
91.05479	45.9
92.05782	1.4
93.07039	47.4
94.07361	1.8
95.01315	1.4
95.04974	14.1
95.08606	39.4
97.06529	20.1
97.10166	5.4
99.08115	3.1
103.05447	2.3
105.07029	49.1
106.07391	1.7
107.04945	6.4
107.08589	28.0
109.06507	7.2
109.10153	17.4
111.08070	5.1
113.09687	1.1
115.05479	3.2
116.06240	1.4
117.07019	21.1
119.08582	34.5
120.08898	1.5
121.06506	3.1
121.10145	18.1
123.08059	4.0
123.11691	5.0
125.09616	6.0
128.06227	4.6
129.07005	16.6
129.07918	1.7
130.07787	1.5
131.08565	31.3
133.06511	2.0
133.10132	30.1
133.11090	2.1
135.08052	5.2
135.11685	10.3
137.09601	3.7
137.13278	1.5
139.11174	2.2
141.07001	5.2
142.07811	4.0
143.08554	21.8
144.09308	1.5
145.06509	2.1
145.10127	29.5
147.08066	2.9
147.11681	18.1
149.09598	6.3
149.13313	6.3
151.11205	2.6
153.06999	1.2
153.09114	1.1
154.07777	2.7
155.08543	10.3
156.09155	1.4
157.10135	17.3
159.08101	2.1
159.11696	20.2
161.09639	3.8
161.13229	10.0
163.11212	3.8
163.14885	2.1
165.06996	2.7
165.12799	1.5
166.07829	1.1
167.08519	4.6
168.09302	1.3
169.10123	14.8
171.08006	1.7
171.10246	1.9
171.11694	16.6
173.09634	2.2
173.13278	12.1
175.11247	3.3
175.14798	4.9
177.12831	2.4
178.07729	1.2
179.08531	2.4
179.14398	2.1
180.09258	1.9
180.43892	0.9
181.10143	9.4
182.10970	2.0
183.11687	12.9
185.09622	1.8
185.13278	10.4
187.11224	1.7
187.14816	6.4
189.11230	1.2
189.12730	1.9
189.16286	1.5
193.10197	3.4
195.11699	8.6
197.09634	1.2
197.13239	12.3
199.11113	2.4
199.14839	6.9
201.16460	3.5
203.14258	1.2
205.10063	1.0
207.11714	3.0
209.13284	6.9
211.14830	5.1
213.12769	1.4
213.16434	3.4
215.14320	1.5
215.17990	1.8
217.15921	1.5
217.19470	1.4
221.13237	3.2
223.14812	5.5
225.16431	3.9
227.18028	2.6
229.19685	1.7
231.21138	1.8
233.13336	1.7
233.15392	1.3
235.14861	3.2
237.16382	4.9
239.17931	4.5
241.19551	8.7
243.17410	1.3
245.19028	1.2
249.16380	1.8
251.18042	2.5
255.17549	1.4
257.18967	6.2
259.20560	11.3
261.18686	1.4
261.22070	1.4
263.20224	2.4
265.19498	1.7
271.17474	1.3
271.20605	4.8
273.18582	6.9
275.20120	20.6
276.20523	2.2
277.21445	3.3
287.23434	1.2
289.21750	2.9
291.19629	2.1
293.21167	1.5
295.20547	1.4
297.22226	1.6
299.20035	1.1
301.21835	1.4
311.20209	1.4
311.23746	2.2
315.23383	2.8
325.21521	1.4
325.25296	1.4
327.22903	1.0
333.24448	7.7
335.25876	2.6
339.23172	1.5
341.24780	1.5
341.28384	1.8
347.22314	2.3
349.23761	11.1
353.24832	1.5
357.27866	1.0
363.14020	1.0
363.26801	1.2
377.28571	1.1
379.30023	1.3
389.28317	1.0
391.30008	1.2
403.29492	1.3
407.28784	1.3
419.33347	2.5
421.30908	2.2
435.32556	3.2
437.34299	5.9
453.33615	1.3
463.31808	1.4
475.35544	1.3
495.34842	2.2
497.36987	1.1
499.34402	1.1
501.35797	1.7
505.40717	1.2
511.38037	6.1
513.35767	12.9
515.38824	7.1
527.37262	8.6
529.38586	3.2
533.39825	11.5
551.41071	9.4
553.39288	2.1
555.36926	2.2
567.41016	1.1
569.41785	1.6
581.41730	1.2
589.42615	2.7
597.45184	2.0
607.43579	48.0
608.44128	1.9
625.44574	100.0
626.44818	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28252	1.3
52.86377	1.0
53.03947	4.0
55.01876	12.1
55.05266	2.4
55.05512	34.9
57.03437	11.8
57.07066	3.8
59.05014	1.7
65.03937	4.5
67.05505	72.7
68.05851	1.5
69.03430	2.3
69.06694	1.1
69.07068	32.1
71.04990	5.0
77.03906	1.3
79.05496	48.5
81.03418	4.2
81.07056	63.5
82.07395	1.5
83.04992	6.8
83.08619	18.9
85.06547	3.7
88.71807	1.4
91.04910	2.5
91.05482	49.2
92.05843	1.6
93.07046	48.8
93.07636	2.4
94.07382	1.9
95.04977	13.9
95.08605	43.9
97.06539	14.5
97.10172	11.8
99.08096	2.5
103.05447	1.6
105.07037	42.1
107.04962	5.4
107.08592	29.4
109.06512	11.7
109.10149	25.0
111.08081	5.2
113.06068	1.6
115.05464	4.7
117.07023	22.5
119.08579	35.6
121.06519	3.8
121.10143	18.5
121.57916	1.4
123.08068	4.6
123.11743	6.3
125.09648	9.2
128.06233	5.2
129.07011	19.2
129.07924	1.9
131.08566	32.3
133.06523	1.4
133.10138	27.3
135.08066	7.8
135.11703	8.3
137.09610	3.9
137.13313	1.3
139.11218	1.5
141.07021	8.4
142.07793	6.0
143.08553	23.0
144.09340	1.5
145.06540	2.4
145.10118	28.2
145.11151	2.2
147.08092	2.0
147.11711	17.6
149.09583	8.1
149.13283	6.6
151.11165	3.2
153.06995	2.3
154.07819	2.0
155.08578	15.0
156.09331	2.8
157.06607	1.7
157.10144	24.3
158.10854	2.1
159.08081	2.0
159.11667	16.9
161.09692	2.4
161.13268	8.3
163.11220	4.3
163.14848	1.7
165.06981	2.6
165.12807	1.7
166.07837	1.5
167.08566	8.6
168.09421	2.9
169.10143	19.8
171.08148	2.1
171.11708	20.0
173.09625	3.1
173.11868	2.2
173.13232	13.3
175.11208	3.2
175.14841	4.9
177.12746	2.5
179.08546	3.1
179.14313	1.9
181.10097	10.1
182.10895	3.9
183.11705	18.4
185.13239	16.9
187.11246	2.2
187.13289	2.1
187.14877	4.4
189.11211	2.7
189.12714	1.7
193.10220	2.8
194.10876	2.1
195.11681	8.3
197.13284	11.8
199.11220	1.7
199.14818	8.4
201.12762	2.4
201.16447	3.8
205.10133	1.9
207.11803	4.0
208.12433	2.0
209.13301	10.0
211.14822	10.0
213.16405	7.2
215.17946	2.6
217.15976	1.6
219.17580	2.1
221.13307	3.2
223.14796	8.2
225.16397	5.8
227.12816	3.6
227.18040	3.0
229.14319	3.6
233.13249	2.2
235.14883	4.7
237.16435	5.7
239.18045	5.2
241.19579	4.5
247.14813	1.9
251.18028	3.7
253.19640	2.3
255.17531	2.3
255.20996	1.7
257.19122	3.5
259.20663	4.4
261.22101	1.9
265.19458	1.5
267.17700	1.3
267.21127	2.9
271.20599	2.3
273.18521	10.7
274.19055	1.7
275.20087	11.7
277.21719	2.1
279.21259	2.9
291.19662	5.8
295.20605	1.7
297.22226	2.4
309.22064	2.1
311.19815	1.6
315.23367	1.7
323.23309	2.1
327.23196	1.9
333.24368	5.2
335.25583	3.8
339.23026	2.0
347.22278	2.9
349.23901	4.6
365.28516	4.3
377.28677	1.9
379.29984	3.3
381.31540	1.7
383.29620	2.6
389.27469	1.4
403.30032	1.8
407.29617	1.9
421.31036	7.0
437.34683	1.6
439.32297	2.5
495.34875	2.0
497.37320	2.2
505.40726	1.5
511.37918	2.3
513.35822	23.4
515.38910	9.4
527.37360	4.2
533.40100	10.3
537.35663	1.6
551.40985	7.0
553.39642	1.8
555.36761	2.7
556.37463	1.6
567.40210	1.7
589.42365	3.5
607.43610	45.3
625.44617	100.0
626.45013	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33985	2.3
53.03948	3.6
55.01857	4.6
55.05513	15.9
57.03437	7.4
57.07089	4.0
61.02906	3.4
65.03927	2.8
67.05505	50.7
69.03423	6.9
69.07064	14.9
69.50152	20.9
71.04984	7.6
79.05493	33.1
81.03414	19.4
81.07056	44.1
81.97655	2.2
83.04976	8.1
83.08626	8.4
85.02903	6.6
85.06538	3.3
91.05481	40.6
93.07043	39.4
95.04966	10.0
95.08604	26.8
97.02863	2.8
97.06541	7.8
97.10176	5.1
99.04450	2.9
103.05513	2.8
105.07035	38.2
107.04957	6.4
107.08601	24.7
109.02872	4.9
109.06511	6.0
109.10152	13.6
111.08118	4.1
115.05524	3.6
115.69876	2.1
117.07027	16.9
119.08568	25.9
121.06530	7.0
121.10139	16.0
123.08072	3.0
123.11702	3.3
125.09641	2.3
127.03888	2.5
129.07002	13.9
129.50279	2.3
131.08572	34.0
133.10132	17.0
135.08073	4.9
135.11671	10.7
137.09644	5.3
141.06992	4.0
143.08553	14.2
145.10133	17.3
147.08060	4.1
147.11688	8.0
149.09587	6.7
149.13300	3.5
155.08556	7.2
157.10141	9.9
159.08049	3.7
159.11708	7.7
161.09608	3.1
161.13254	3.0
163.11176	3.2
167.08527	3.1
169.10117	7.5
171.11684	7.3
173.11713	3.4
173.13213	2.2
175.11258	2.8
177.12782	3.2
181.10144	4.1
183.11723	4.5
185.13255	4.1
187.13365	2.3
187.14854	3.0
195.11720	2.8
197.13165	2.6
209.13222	2.9
211.15047	3.5
275.20099	5.0
305.21103	2.4
325.25052	3.4
335.23755	6.1
343.26282	4.0
353.24829	12.4
371.25757	18.7
389.26877	21.6
403.78897	2.5
445.29498	100.0
463.30560	58.7
523.09674	3.4
607.34259	3.9
625.13464	17.9
625.33063	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	625.3581
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03943	4.9
55.01881	15.0
55.05510	37.1
57.03430	12.4
57.07068	6.0
58.18165	2.8
65.03935	3.3
67.05505	100.0
69.03429	8.0
69.07069	30.6
71.04995	9.2
79.05491	69.7
81.03423	12.5
81.07057	82.4
83.04969	8.9
83.08616	23.8
85.02884	4.4
85.06552	6.3
91.04903	3.3
91.05479	68.3
93.07047	60.2
95.04974	11.5
95.08607	47.8
95.09180	5.3
97.02898	6.9
97.06544	11.3
97.10171	14.4
97.10716	2.8
98.20774	5.9
103.05440	4.2
105.06377	5.7
105.07034	71.1
107.04980	8.9
107.08597	38.2
109.02869	4.3
109.06519	8.8
109.10160	26.4
111.08089	5.3
116.06190	4.2
117.07027	33.3
119.08584	45.5
121.06502	5.2
121.10148	22.5
123.08058	5.5
123.11713	12.9
125.09640	11.6
127.03918	4.1
128.06248	7.1
129.06993	23.5
131.08568	44.6
133.06500	4.9
133.10123	39.9
135.08058	6.1
135.11673	20.4
137.09624	4.8
141.07013	12.0
142.07774	5.0
143.08560	25.9
144.09399	3.7
145.06549	3.8
145.10146	34.5
147.08038	5.0
147.11700	17.1
149.09595	8.2
149.13257	8.2
151.11209	3.4
155.08553	21.0
157.10118	29.4
159.08055	3.8
159.11687	27.4
161.09648	4.1
161.13301	10.3
163.11137	3.8
167.08571	7.0
168.09416	3.1
169.10155	17.5
171.11674	19.7
173.13283	15.5
175.14862	4.8
179.08476	3.1
181.10175	10.8
183.11662	16.7
185.13248	19.3
187.13277	3.3
187.14848	7.6
189.11244	3.7
195.11732	11.1
197.13327	16.9
199.14859	11.2
201.16486	3.0
207.11874	3.5
209.13303	12.9
211.14894	13.1
213.16405	5.2
221.13351	6.3
223.14807	6.6
225.16441	3.8
227.12746	5.0
229.14381	5.4
235.14755	6.3
237.16479	5.6
241.19669	4.6
259.20609	5.5
275.20154	9.7
303.23212	3.5
309.21887	2.9
323.23846	3.6
335.23685	4.3
349.24185	3.6
353.24811	12.1
365.28619	9.0
371.25873	12.3
389.26834	18.4
427.28699	3.3
445.29523	96.4
445.35574	6.0
463.30579	39.7
513.35944	14.4
515.38806	6.5
527.37067	8.0
533.39862	10.4
551.40820	10.2
593.33282	4.6
607.43732	45.7
625.35651	7.0
625.44635	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01866	6.1
55.05511	22.3
57.03429	5.6
57.07070	2.6
61.02914	2.7
65.03951	2.6
67.05505	55.4
69.03429	6.5
69.07070	16.0
71.04987	6.5
78.40471	1.7
79.05492	36.0
81.03423	11.2
81.06580	2.2
81.07055	44.8
83.04972	9.6
83.08620	10.6
85.02897	5.4
85.06561	2.7
91.03948	1.8
91.05480	39.4
93.07042	37.0
95.04972	9.8
95.08597	27.2
97.02897	4.9
97.06551	8.2
97.10159	5.4
98.21500	3.9
103.05441	3.1
105.07030	35.5
107.04951	7.2
107.08585	22.1
109.02840	4.2
109.06509	5.4
109.10138	13.8
111.04424	4.0
111.08057	2.0
113.06001	1.6
115.05492	2.9
117.07009	17.8
119.08582	27.7
121.06513	4.4
121.10132	15.2
123.08117	2.3
123.11676	4.6
125.09617	4.0
128.06172	2.9
129.07007	11.7
131.08565	27.6
133.10121	17.5
135.08067	5.6
135.11685	7.2
139.11214	2.5
141.06979	5.0
143.08562	13.2
145.06450	3.6
145.10126	17.7
147.08025	3.0
147.11668	9.0
149.09631	4.8
149.13277	3.9
151.11256	2.2
155.08565	7.6
157.10109	13.0
159.11690	10.8
161.13289	3.3
163.11211	3.4
167.08618	4.1
169.10178	7.1
171.11714	10.0
173.09573	2.3
173.13281	4.5
175.11195	2.5
175.14763	1.7
176.65207	1.7
181.10114	4.4
183.11729	7.1
185.13229	6.7
187.13315	1.8
187.14848	4.4
193.12007	2.3
195.11708	4.3
197.13275	6.3
199.14761	2.5
209.13319	4.1
211.14882	4.6
213.12645	2.3
227.12656	3.9
229.77515	2.2
233.15291	3.5
247.16940	2.1
259.20630	2.8
269.17365	3.0
273.18326	2.3
275.20114	4.8
325.25354	2.2
335.23648	2.9
343.26263	5.2
353.24677	9.2
371.25787	12.2
389.26682	13.6
445.29510	100.0
450.57724	1.9
463.30606	26.9
474.27991	1.9
504.74268	1.9
513.35773	3.3
533.39764	3.1
607.43231	6.2
625.32886	12.7
625.44312	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	625.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.5
55.01867	4.1
55.05512	12.1
55.59766	2.2
57.03428	5.4
67.05507	22.4
69.03411	2.5
69.07051	7.0
70.05240	2.3
70.74154	3.5
70.74493	5.1
79.05493	19.3
81.03403	4.1
81.07062	21.8
83.04950	2.4
83.08583	5.5
91.05477	23.2
93.07041	19.4
95.04948	4.8
95.08617	15.1
97.06524	2.3
97.10159	3.2
101.54103	2.3
105.07021	27.4
107.04919	3.3
107.08598	10.7
109.06496	4.6
109.10120	8.4
117.07000	13.5
119.08578	18.4
121.06442	3.9
121.10117	8.6
125.09598	3.5
129.07004	7.4
131.08562	18.3
133.06361	2.4
133.10126	11.1
135.07996	2.3
141.06973	5.3
143.08543	6.8
145.06450	2.8
145.10129	15.6
147.11684	4.7
153.41634	2.4
155.08617	5.3
157.10129	8.3
159.11684	5.7
167.08488	3.1
169.10123	5.7
171.11671	4.3
181.10016	2.8
183.11620	3.4
185.13286	3.5
195.11620	2.6
195.66086	2.5
197.13152	4.7
275.20001	3.2
295.19647	2.6
343.26178	3.1
353.24750	10.5
371.25726	12.8
387.35312	2.4
389.26825	10.0
445.29501	100.0
463.30542	21.2
493.46075	2.9
625.44543	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	625.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
53.78843	1.0
55.01863	2.3
55.05506	8.9
57.03433	6.7
58.58400	0.9
61.02923	4.9
65.03934	1.2
65.13746	0.8
67.05503	33.2
69.03425	11.3
69.07073	9.5
71.01334	1.4
71.04985	5.7
71.61005	1.1
73.02908	3.8
79.05487	17.2
81.02975	1.4
81.03416	16.8
81.07056	35.6
83.04974	9.2
83.08633	5.2
85.02898	7.9
85.06526	2.8
87.04449	0.9
91.03950	2.1
91.05477	15.0
93.07041	26.6
94.07400	1.2
95.04972	5.7
95.08603	13.0
97.02892	7.1
97.06523	6.3
97.10121	1.0
99.04459	4.2
99.08086	1.3
101.02356	2.4
105.07011	8.6
107.04977	2.0
107.08588	14.5
109.02861	5.7
109.06516	3.7
109.10155	8.9
111.04440	2.9
111.08089	2.4
117.07023	5.4
119.08572	6.3
121.06496	2.5
121.10130	6.5
123.08023	1.0
123.11708	2.2
125.09670	1.1
127.03944	5.3
128.06244	1.2
128.36723	0.9
129.05472	5.1
129.07005	2.9
131.08557	7.5
133.06506	1.3
133.10120	6.6
135.08084	2.0
135.11678	5.9
141.06992	1.5
143.08557	2.0
145.10114	3.2
147.04449	1.2
147.08069	1.2
147.11679	3.7
149.09549	1.4
149.13249	8.1
155.08545	2.0
157.10158	3.1
159.11665	5.7
161.09676	1.0
169.10185	1.2
171.08046	1.1
171.11739	1.0
173.04478	1.7
173.11755	2.6
177.12778	2.7
181.10110	1.3
193.12259	1.4
195.09966	1.2
195.12106	1.3
195.13770	6.8
213.14772	1.6
243.08429	1.2
267.15817	1.4
269.17441	13.9
321.86115	0.9
339.18042	3.0
353.24561	1.6
371.25967	1.8
389.26685	1.7
395.20743	2.6
402.66940	0.9
413.17239	6.7
413.22101	2.9
427.28375	1.1
445.29605	8.2
453.21140	6.5
463.30627	19.5
481.31042	1.4
527.99799	1.0
533.31561	1.2
589.33508	1.4
607.34888	11.5
625.14746	2.4
625.31903	100.0
626.31903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35143	1.9
53.03949	4.2
55.01873	3.7
55.05508	7.3
57.03423	6.4
57.07067	9.6
59.05013	2.5
61.02937	2.0
67.05228	2.0
67.05509	20.9
69.03423	14.5
69.07072	16.3
70.06590	2.5
70.24552	2.1
71.04979	2.3
73.02905	2.5
79.05502	12.6
81.03413	8.2
81.06587	2.8
81.07056	44.2
83.04971	6.4
83.08611	5.2
85.02909	19.2
85.06544	100.0
86.09698	2.6
87.00834	6.7
87.60686	1.9
91.05491	15.3
93.07041	28.9
95.04968	7.4
95.08606	31.2
97.02891	10.7
97.03452	1.9
97.06524	6.0
97.10193	2.5
99.04471	4.9
99.08096	7.6
105.01832	3.5
105.07024	22.1
107.04963	2.4
107.08595	28.3
109.02878	8.5
109.06517	5.1
109.10149	26.3
111.08072	9.7
111.11706	4.1
113.09628	4.7
117.07040	3.8
119.08582	19.6
121.06506	3.0
121.10158	16.2
123.11699	7.3
125.09637	9.6
127.03918	11.5
131.08560	8.5
133.10126	16.8
135.11664	17.6
137.05991	2.4
137.09688	5.5
137.13245	3.0
139.11198	2.8
143.05650	18.0
143.08575	3.1
145.02937	2.8
145.04976	4.0
145.10126	9.6
147.04422	3.9
147.08099	2.0
147.11684	10.6
149.13258	14.4
151.11201	3.2
155.10631	4.4
157.10141	3.9
157.12268	5.8
159.02817	3.2
159.11717	9.4
161.13263	7.4
163.11218	3.6
163.14838	5.8
165.12794	4.4
167.07062	3.6
171.11673	2.6
173.13252	8.1
175.03893	2.6
175.14807	9.9
177.05493	3.4
177.16417	5.8
181.04965	5.2
181.12250	3.7
187.14836	7.0
189.16406	9.3
193.15862	4.2
199.14810	4.6
201.16412	2.3
203.18071	3.1
207.06433	3.2
207.17570	2.9
211.16968	10.6
213.16309	5.7
227.12839	4.0
229.17879	2.6
257.22531	3.2
258.05191	2.9
259.68591	2.0
263.23450	2.2
269.22629	9.6
275.23712	4.9
283.15381	5.7
286.04694	8.1
287.05331	3.1
287.23685	12.7
293.24759	6.6
301.07028	30.7
302.07297	3.1
305.24844	19.8
311.25977	2.9
317.06607	6.7
323.25790	19.0
341.26886	19.3
359.27838	12.0
416.14844	2.9
463.12543	2.3
625.23016	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1759
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
51.59461	0.4
57.03414	1.4
61.02914	0.5
69.03410	1.0
69.90696	0.8
69.91119	1.7
71.04646	0.7
71.04991	9.4
77.13297	0.5
83.04987	0.8
85.02900	12.3
92.02599	0.5
93.03389	0.6
97.02898	1.1
98.21483	0.8
104.72781	0.5
107.05016	0.5
111.04449	0.6
119.27136	0.4
121.02812	0.7
127.03905	0.5
129.05467	3.3
137.39693	0.4
143.05621	0.9
151.03873	0.5
153.01817	5.0
177.05620	0.6
201.05553	0.4
228.04216	1.1
229.04918	1.3
234.80537	0.4
245.04440	0.8
246.05338	1.2
257.04453	1.6
260.03076	0.6
271.05997	0.4
273.03931	1.2
274.04675	3.1
285.03848	2.1
286.04642	0.5
302.04199	9.7
317.06546	100.0
318.06897	2.2
479.11523	0.5
565.15656	0.5
592.12677	0.5
625.21228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
56.96566	1.2
57.03402	0.7
67.05517	1.3
69.03415	2.1
70.06574	2.1
70.33787	2.3
75.81816	0.6
78.45854	0.6
79.05514	1.5
81.03424	3.6
81.07049	3.6
84.08121	0.8
85.02902	2.6
87.06705	5.1
89.03928	0.7
91.05466	2.3
93.05764	0.9
93.07040	0.8
94.06560	2.4
95.04986	1.0
96.08114	2.0
97.02867	2.0
97.06537	1.1
98.97536	1.1
99.04465	0.8
107.04951	0.8
108.08121	0.9
109.02887	7.4
109.05247	1.2
110.06039	6.9
111.04473	1.0
116.98616	1.0
117.03379	1.0
119.04916	1.7
120.04440	0.6
122.06028	14.1
123.04451	1.7
123.06809	1.6
124.07592	12.3
125.02413	0.8
126.05509	1.0
127.03892	2.9
134.06018	6.8
134.99660	1.1
135.04411	1.0
136.07574	43.1
137.02293	0.8
137.05891	0.9
138.05562	1.2
138.09184	1.0
140.07056	3.6
141.04076	1.1
143.05638	100.0
144.05956	0.7
145.02832	1.1
147.04390	4.3
148.04672	0.6
150.05498	8.8
151.03905	1.0
151.06311	0.9
152.07059	56.0
154.02098	0.8
162.05525	1.0
163.03912	2.3
164.07068	59.5
165.05536	0.8
166.08655	2.1
168.06598	4.4
170.08122	5.7
176.06990	0.7
177.05469	1.1
179.14467	0.6
182.08118	4.6
185.06743	1.0
188.07106	0.6
205.04811	1.5
207.06535	1.2
214.12473	0.8
232.13423	0.9
233.06740	0.6
237.02840	1.0
242.08241	0.9
242.11890	0.9
243.11349	1.6
244.09836	0.7
260.09097	1.3
260.12729	1.3
261.12366	1.1
272.09201	1.3
276.08658	2.2
278.10141	1.5
285.12311	5.0
290.10165	1.2
294.09750	4.8
296.11328	0.8
303.04883	0.9
303.13382	22.6
305.10947	1.1
308.11197	1.0
312.10764	2.7
319.12958	0.8
321.14426	7.3
326.12405	1.0
330.11844	1.4
331.12674	0.9
345.14450	0.8
393.14096	0.8
405.09766	0.7
411.15454	7.0
429.16595	17.1
447.17654	18.7
448.17511	0.7
449.15735	1.0
465.18451	2.6
483.19833	1.4
499.13028	0.8
535.14832	1.4
589.22699	0.9
607.23553	8.1
625.23712	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	625.1763
Annotation	Nervilifordin B
Peak:m/z	Relative Intensity
55.01879	0.3
55.05519	0.2
57.03442	0.2
67.01873	0.2
67.05514	0.4
69.03426	1.2
69.07076	0.3
70.06606	0.2
71.05006	0.3
72.08173	0.2
73.02939	0.2
79.05497	0.3
81.03417	0.6
81.07070	0.5
83.04991	0.2
84.08153	0.2
85.02902	2.3
85.06574	0.3
86.09738	0.3
86.15331	0.1
91.05492	0.3
93.07055	0.3
95.04994	0.2
95.08613	0.3
97.02908	1.0
97.10198	0.2
99.04491	0.3
100.11281	0.1
105.07040	0.3
107.04997	0.1
107.08637	0.3
109.02867	0.6
109.06548	0.2
109.10152	0.3
110.03324	0.1
111.04459	0.2
111.08065	0.2
119.04932	0.2
120.08053	0.2
121.02943	0.2
121.10144	0.3
122.06038	0.1
123.04403	0.2
123.11700	0.1
127.03913	0.8
135.11714	0.2
136.07643	0.2
137.06003	0.3
143.05708	0.8
145.02904	0.3
145.04974	0.4
145.06586	0.2
147.04416	0.3
147.08032	0.2
151.03925	0.3
153.01833	0.7
163.03891	0.3
164.07108	0.2
167.07097	0.3
171.02968	0.2
175.03914	0.3
177.05502	0.5
181.05016	0.1
191.10609	0.1
202.73834	0.1
207.06544	0.3
229.04927	0.3
255.11171	0.3
258.05243	8.1
259.05768	0.2
269.25351	0.1
286.04718	28.1
287.05472	1.7
301.07056	100.0
302.04266	0.2
302.07336	1.5
315.13397	2.1
317.06503	0.8
323.25638	0.2
347.07355	0.2
463.12350	11.0
464.12506	0.3
625.22650	0.3
625.46387	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	625.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01870	0.3
55.05494	0.3
57.03436	0.7
57.08365	0.2
67.05523	0.5
69.03427	0.5
69.07076	0.5
69.36214	0.9
69.36645	1.2
70.06594	0.4
71.05000	4.1
79.05503	0.4
81.03429	0.5
81.07053	0.9
83.08636	0.3
84.08142	0.3
85.02906	4.9
85.06551	0.6
91.05494	0.8
93.07072	0.5
95.04984	0.4
95.08604	0.5
98.21532	0.4
103.05486	0.2
105.06977	0.2
107.08607	0.5
109.02934	0.2
109.06456	0.2
109.10175	0.7
109.91174	0.2
111.04436	0.4
119.08600	0.3
121.02864	0.4
121.10153	0.5
127.03908	0.6
129.05482	1.1
133.10127	0.4
135.11736	0.3
136.07570	0.2
136.91446	0.2
137.05968	0.5
143.05655	1.2
145.02826	0.3
145.10112	0.2
149.06027	0.4
151.03929	0.8
153.01784	1.4
159.11710	0.3
163.03830	0.3
165.05475	0.4
167.07059	0.6
169.01364	0.8
177.05487	0.5
181.05054	0.7
201.05518	0.2
205.05064	0.2
229.05013	0.6
257.04617	1.1
258.05243	0.8
271.05923	0.5
274.04721	10.6
285.03961	1.4
286.04761	1.6
287.05402	0.5
301.07086	4.5
302.04224	31.2
315.08524	0.3
317.06564	100.0
318.06937	1.3
416.14716	0.3
463.11871	0.3
479.11856	10.3
621.19647	0.3
625.22668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1755
Annotation	Isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03946	0.3
55.01870	0.3
55.05494	0.3
57.03436	0.7
57.08365	0.2
67.05523	0.5
69.03427	0.5
69.07076	0.5
69.36214	0.9
69.36645	1.2
70.06594	0.4
71.05000	4.1
79.05503	0.4
81.03429	0.5
81.07053	0.9
83.08636	0.3
84.08142	0.3
85.02906	4.9
85.06551	0.6
91.05494	0.8
93.07072	0.5
95.04984	0.4
95.08604	0.5
98.21532	0.4
103.05486	0.2
105.06977	0.2
107.08607	0.5
109.02934	0.2
109.06456	0.2
109.10175	0.7
109.91174	0.2
111.04436	0.4
119.08600	0.3
121.02864	0.4
121.10153	0.5
127.03908	0.6
129.05482	1.1
133.10127	0.4
135.11736	0.3
136.07570	0.2
136.91446	0.2
137.05968	0.5
143.05655	1.2
145.02826	0.3
145.10112	0.2
149.06027	0.4
151.03929	0.8
153.01784	1.4
159.11710	0.3
163.03830	0.3
165.05475	0.4
167.07059	0.6
169.01364	0.8
177.05487	0.5
181.05054	0.7
201.05518	0.2
205.05064	0.2
229.05013	0.6
257.04617	1.1
258.05243	0.8
271.05923	0.5
274.04721	10.6
285.03961	1.4
286.04761	1.6
287.05402	0.5
301.07086	4.5
302.04224	31.2
315.08524	0.3
317.06564	100.0
318.06937	1.3
416.14716	0.3
463.11871	0.3
479.11856	10.3
621.19647	0.3
625.22668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01857	0.2
55.05510	0.5
57.03419	0.4
59.26737	0.2
61.02928	0.5
63.02347	0.3
67.05502	1.0
69.03429	11.3
69.07066	0.8
69.54153	1.5
69.54566	0.6
70.06598	0.3
72.08137	0.2
78.03334	0.2
78.04707	0.3
79.05503	1.2
81.03421	1.5
81.07048	1.6
83.04959	0.4
83.08604	0.3
84.08151	0.4
85.02908	0.9
85.06541	0.4
89.03917	3.7
91.05484	2.1
93.07034	1.1
95.04955	1.1
95.08600	0.9
97.02876	1.4
97.06515	0.4
97.45002	0.3
99.04424	0.5
103.05461	0.6
105.07027	1.7
106.07331	0.3
107.04939	0.4
107.08588	0.9
109.02889	1.4
109.06512	0.5
109.10160	0.8
111.04409	0.3
117.03379	13.4
117.06998	0.5
119.04940	0.5
119.08584	0.7
121.06499	0.4
121.10149	0.5
123.04432	0.3
123.08025	0.3
124.05203	0.5
127.03914	5.2
128.06218	0.3
130.61157	0.2
131.04965	0.4
131.08545	0.6
133.10135	0.5
134.03632	1.0
135.04427	1.8
135.08070	0.4
135.11685	0.5
137.05972	1.0
143.05666	3.0
145.02840	43.3
145.10112	0.7
146.03308	0.2
147.04416	0.7
147.11679	0.4
148.85927	0.2
149.05978	5.5
149.09599	0.3
151.03874	0.4
151.07512	0.3
153.01808	1.4
153.05499	0.3
157.10115	0.3
158.06067	0.3
161.06020	0.4
163.03886	0.9
163.07515	0.4
165.05513	0.3
167.07108	1.2
171.02905	0.3
173.06036	0.3
173.13179	0.3
175.03932	0.7
175.07449	0.3
177.05466	100.0
178.05884	0.6
181.04961	0.6
186.05487	1.6
187.07544	0.3
189.05457	0.3
191.07140	0.3
193.08583	0.3
195.06543	0.9
201.05515	0.3
207.06548	0.8
209.08034	0.5
210.02989	0.3
215.07028	0.3
233.08046	0.7
243.06482	0.3
255.06366	0.3
261.07593	1.5
271.05994	1.3
272.06027	0.3
273.06854	0.5
287.05490	27.3
291.09073	0.3
321.09711	6.0
339.10736	5.8
410.27591	0.2
416.14984	0.3
462.29407	0.3
503.83725	0.3
549.55457	0.2
625.26440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1555
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03935	0.3
55.41221	0.2
61.02929	0.3
63.02372	0.2
63.87751	0.2
65.03928	0.3
67.05504	0.5
68.60030	0.2
69.03432	10.8
69.07076	0.5
70.16850	0.2
70.73266	0.5
71.04987	0.4
79.05513	0.3
81.03442	0.5
81.07060	0.7
85.02912	0.7
89.03912	3.8
91.05489	0.9
93.07045	0.6
93.30260	0.2
95.04971	0.5
95.08619	0.6
97.02883	1.6
99.04489	0.4
105.07034	0.4
107.08591	0.7
109.02898	0.8
109.10193	0.6
113.37052	0.2
115.63492	0.2
117.03387	15.0
119.04935	0.6
121.06475	0.4
127.03922	4.3
133.10139	0.3
134.03624	1.0
135.04436	1.4
135.08064	0.3
135.11644	0.3
137.05981	0.6
137.09662	0.3
143.05638	0.8
145.02849	45.4
147.04367	0.3
149.05986	6.0
149.13167	0.3
150.60678	0.2
153.01796	1.1
159.08011	0.3
163.03932	0.6
167.06979	0.6
168.55060	0.2
175.07480	0.2
177.05472	100.0
178.05765	0.3
186.05507	1.0
189.05469	0.3
195.06578	1.1
207.06532	0.8
231.06493	0.4
233.08102	0.7
261.07544	1.2
262.70383	0.2
271.05862	0.3
272.06839	0.3
287.05515	16.1
291.08539	0.3
303.08701	0.4
315.08594	0.9
316.08957	0.8
317.09164	0.8
321.05951	0.4
321.09702	7.8
323.25745	0.4
327.86908	0.2
339.10785	8.3
341.55655	0.3
405.63092	0.3
595.32538	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	625.1556
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03942	0.2
55.01863	0.1
55.05505	0.2
57.11193	0.1
58.17263	0.1
63.02372	0.1
65.03954	0.1
67.01873	0.7
67.05494	0.2
68.99786	0.8
69.03436	0.5
69.07056	0.2
69.52339	0.6
69.52760	0.2
70.06575	0.2
70.84420	0.1
71.04987	0.1
76.57754	0.1
79.05480	0.3
80.33406	0.1
81.03419	1.2
81.07062	0.6
83.05000	0.1
84.08136	0.1
85.02905	0.5
85.06541	0.1
89.03918	1.7
89.92097	0.1
91.05480	0.8
91.05978	0.1
93.07036	0.4
95.04944	0.3
95.08598	0.4
97.02869	0.3
97.06492	0.1
97.10145	0.2
99.04466	0.1
103.03960	0.1
104.07092	0.1
105.07014	0.4
106.04179	0.1
107.04960	0.3
107.08586	0.4
109.02911	0.5
109.10155	0.3
111.00816	0.1
111.04420	0.1
117.03376	4.2
119.04942	0.3
119.08581	0.2
121.02899	0.1
121.06519	0.2
121.10075	0.2
123.11723	0.1
125.02350	0.1
127.03885	0.4
129.01799	0.2
131.04915	0.2
131.08607	0.1
133.02853	0.1
133.10110	0.2
134.03629	0.3
135.04422	2.2
135.08003	0.1
135.11673	0.1
137.02347	1.0
137.05957	0.2
137.09663	0.1
143.05673	0.5
145.02841	10.7
146.03223	0.1
147.04378	0.3
147.08101	0.1
147.11685	0.2
147.83633	0.1
149.05972	1.6
149.13280	0.1
151.03879	0.2
153.01828	6.2
157.10210	0.1
158.06088	0.1
159.11681	0.1
161.02335	1.3
161.05911	0.2
163.03900	0.2
165.05444	0.1
167.07037	0.4
171.02893	2.7
171.04257	0.1
177.05469	26.8
178.05807	0.2
179.03421	0.6
181.04953	0.2
185.05981	0.2
186.05492	0.3
195.04678	0.1
195.06441	0.2
201.05470	0.1
203.03293	0.1
207.06544	0.2
213.05450	0.2
218.05646	0.1
219.06483	0.4
231.06491	0.1
241.04950	1.0
245.04440	0.3
263.05484	0.1
269.04437	0.5
271.05908	0.1
274.57104	0.1
286.04456	0.2
287.05490	100.0
288.05875	1.1
301.07108	0.2
303.22980	0.1
317.06546	0.9
321.09702	2.1
325.11188	0.1
339.10739	1.2
395.27942	0.1
416.14545	0.2
520.84009	0.1
580.58667	0.1
625.14008	0.2
625.34241	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	624.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.6
56.05035	4.7
56.30613	2.6
56.58912	2.7
57.03435	4.9
60.43043	2.7
61.02915	3.6
65.03924	3.1
67.05468	2.9
69.03417	12.1
70.06583	10.5
70.76672	7.9
70.77001	3.0
71.04999	3.5
72.83394	3.1
73.02920	4.3
74.06084	7.0
76.02222	3.5
79.05489	3.9
81.03421	9.3
82.06593	2.8
83.04969	3.1
84.04487	4.7
84.08146	6.4
85.02890	17.5
86.09711	6.3
87.00819	8.5
88.49295	2.9
91.05493	20.7
94.78122	2.9
95.04960	7.1
97.02883	13.1
98.06023	3.6
98.21441	3.6
99.04434	4.4
103.05463	5.2
105.07003	7.0
106.06528	5.2
107.04964	5.6
107.08547	3.8
109.02867	13.1
109.06521	3.1
116.07127	3.2
117.03391	3.9
119.04932	14.4
121.02863	36.7
121.06522	4.2
123.04425	4.2
124.07604	3.7
127.03900	13.4
131.04945	7.4
132.76950	3.1
133.06496	5.9
134.06000	4.3
135.04381	6.3
137.02351	3.8
137.05974	8.4
138.05502	4.5
139.03854	3.0
140.07089	4.0
143.03381	10.2
143.04562	6.8
143.05658	100.0
143.06781	7.0
144.05934	10.1
145.02869	19.9
145.04968	3.8
146.06094	3.3
147.04430	21.3
148.07567	11.7
149.09607	3.3
149.98068	3.4
152.07080	5.8
158.08195	4.0
160.07568	8.7
161.04498	3.2
161.05978	6.0
162.05537	4.0
162.09276	3.5
163.03952	5.1
167.07053	5.2
171.04341	4.2
174.49651	3.2
175.03870	15.6
176.07065	14.0
177.01881	3.6
177.05464	28.5
178.08611	7.3
179.44339	3.1
186.05490	46.6
188.07103	5.6
195.02907	6.3
203.03497	7.1
204.06508	19.5
205.04990	3.6
207.06578	23.5
213.05656	3.7
215.07112	3.4
219.02841	6.2
231.02843	5.8
243.06509	3.1
261.03781	7.4
273.03864	4.9
283.06009	7.4
291.05124	4.3
293.08237	4.1
294.05124	3.4
295.05954	4.9
298.30289	3.3
299.05621	4.1
301.06976	5.1
302.12125	3.1
305.08575	29.5
307.05853	7.4
309.07434	5.6
311.05408	7.0
313.06967	5.0
321.07440	5.9
323.09006	6.0
324.08954	6.0
325.06979	10.3
325.77243	4.2
333.07455	5.6
335.08978	7.8
336.09076	4.0
337.07025	13.1
339.08075	3.4
349.07004	6.9
351.08676	6.4
355.08487	3.3
361.06937	4.6
365.06259	5.5
366.09491	5.5
367.08167	10.9
369.11523	6.6
375.08615	3.4
379.08176	9.9
391.08252	8.5
403.07767	3.9
407.07651	8.7
407.16724	3.6
409.09241	7.3
420.10727	7.3
425.08649	7.1
427.10123	9.6
433.09143	4.9
443.09760	7.9
444.13004	16.9
450.11792	8.1
451.10513	3.9
463.10062	3.8
468.12744	15.0
469.11346	6.5
481.11075	3.6
486.14197	24.0
504.14471	10.7
527.12561	3.3
552.14410	4.8
570.15643	6.3
606.19965	4.6
624.21790	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	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98500	0.9
53.03935	5.8
55.01874	7.9
55.05510	21.0
57.03183	1.6
57.03440	15.5
57.07069	4.7
65.03936	6.7
67.05503	76.3
69.03432	2.3
69.07068	16.0
69.80951	1.6
69.81364	4.1
71.04996	5.2
76.82597	1.1
79.05493	47.7
81.02970	0.6
81.03416	19.7
81.07055	49.7
83.04980	6.7
83.08615	8.9
83.24104	0.8
85.06551	11.0
91.05478	56.0
93.07040	45.1
93.07638	1.6
95.01333	3.7
95.04966	59.1
95.08607	35.2
97.02900	1.0
97.06523	8.9
97.10160	4.6
99.08112	2.7
103.05499	2.0
105.07027	51.2
107.04958	17.6
107.08591	27.5
109.02905	1.6
109.06512	39.8
109.10146	10.5
111.04420	2.1
111.08062	4.8
112.58324	0.9
113.06003	22.5
113.09641	1.2
114.96376	1.0
115.05455	4.3
116.06255	1.8
117.07012	27.1
119.04941	1.0
119.08571	30.4
121.06500	7.2
121.10129	13.7
123.04486	1.1
123.08054	9.7
123.11729	2.7
125.09628	2.4
128.06239	5.6
129.07014	16.0
130.07799	2.3
131.04933	2.7
131.08568	33.5
133.06477	5.0
133.10123	25.5
135.08060	20.1
135.09004	1.5
135.11690	11.6
137.05962	1.8
137.09630	2.6
141.07004	5.8
142.07813	3.0
143.08557	18.1
144.09273	1.3
145.06471	4.8
145.10121	25.4
147.08037	5.9
147.11700	14.7
149.09639	6.5
149.13260	6.1
151.11171	1.2
153.07016	1.7
154.07794	1.7
155.08546	9.0
156.09378	1.6
157.06543	1.0
157.10118	15.5
159.08093	5.1
159.11691	19.4
160.05244	1.9
161.05983	3.4
161.09598	7.6
161.13261	7.4
163.11166	6.6
163.14893	1.3
164.54947	0.9
165.09163	0.9
165.12755	1.7
166.07793	0.9
167.08618	4.1
168.09406	1.0
169.10101	10.4
171.08038	2.0
171.11673	15.4
173.06039	3.2
173.09671	4.3
173.13246	10.6
175.11209	4.9
175.14890	2.6
177.12776	6.0
179.08614	2.3
179.14391	2.2
181.10100	5.5
183.08087	0.9
183.11646	7.8
185.09676	2.6
185.13321	7.2
187.11107	6.5
187.14856	4.1
189.11276	1.2
189.12764	2.1
189.16454	0.9
193.10216	3.4
193.12123	0.9
195.11725	6.9
195.13591	1.3
197.09590	1.6
197.13268	6.4
199.11258	3.7
199.14738	5.6
201.12773	2.5
201.16483	3.1
203.14297	1.5
205.10204	1.8
205.12201	1.2
207.11736	3.5
209.09737	1.0
209.13235	5.8
209.49620	0.9
211.11304	1.3
211.14920	3.2
213.12804	2.8
213.16554	2.8
215.14438	2.0
215.18013	2.9
217.15860	8.0
219.11816	2.1
219.13812	1.5
221.13408	1.7
223.14928	3.6
225.12836	2.1
225.16470	1.4
227.14493	1.5
227.18073	2.2
229.15866	1.0
229.19658	1.6
231.17523	1.0
231.21068	1.4
233.13272	1.2
233.15408	1.5
235.14967	2.0
235.17035	1.0
237.16255	4.2
239.14330	1.1
239.17996	2.6
241.14430	3.8
241.19484	5.1
245.19244	1.0
251.17964	1.2
255.17526	3.0
257.19058	5.1
259.20560	8.5
265.19745	1.2
271.13419	3.0
271.16666	0.9
273.15399	2.1
273.18454	22.5
275.20148	8.6
279.15829	8.3
289.14417	0.9
291.19550	35.9
297.22269	1.0
309.25598	1.1
311.23532	1.1
315.23264	4.5
325.21683	1.5
325.25220	1.3
327.23346	1.2
327.26886	4.1
331.22638	1.3
333.24185	6.7
335.26074	2.4
341.24945	1.2
347.22147	7.8
349.23901	1.9
365.23935	2.0
377.28815	1.2
379.26349	1.6
393.28015	1.4
432.68488	1.0
459.32465	1.2
461.29187	1.5
482.92331	0.9
509.36127	1.8
513.37073	4.1
527.37445	1.8
531.38513	7.4
549.39624	6.6
551.37732	2.3
565.38770	1.5
567.40686	3.3
595.43512	1.2
605.42065	20.2
623.43079	100.0
624.43402	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	623.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.01878	8.2
55.05513	37.8
56.96564	1.2
57.03425	4.1
57.07074	2.4
59.04999	1.3
65.03947	2.6
67.05503	49.2
69.03428	5.6
69.07069	16.2
71.05003	3.1
71.36333	1.8
79.05493	38.1
81.03435	2.3
81.07059	38.4
83.04948	6.0
83.08620	13.3
85.06558	2.6
91.05479	38.1
93.07041	31.4
95.04989	8.1
95.08611	26.6
97.02901	1.4
97.06543	4.1
97.10172	23.3
105.07029	22.6
107.04961	3.9
107.08596	25.0
109.06519	5.0
109.10157	14.0
111.08092	3.3
115.04771	1.1
115.05417	6.1
116.06206	1.2
117.07005	25.3
119.08574	29.5
121.06509	2.0
121.10164	7.4
123.08066	3.0
123.11708	2.4
125.09631	18.9
128.06250	5.0
129.07004	17.9
129.07916	1.8
130.07819	2.2
131.08560	17.7
133.06534	1.6
133.10133	13.9
135.08066	6.6
135.11665	6.8
137.09621	2.1
141.06961	8.4
142.07811	4.3
143.08549	17.4
145.06490	14.0
145.10118	16.7
147.08054	3.3
147.11714	7.1
149.09605	2.9
149.13290	1.4
153.07001	2.6
153.09108	2.5
154.07811	2.5
155.08559	15.9
156.09343	1.7
157.10133	15.4
158.07288	1.2
159.08076	4.6
159.11716	11.5
161.09579	1.6
161.13255	2.9
163.11186	1.6
165.07031	2.6
166.07788	1.5
167.08585	9.0
168.09377	2.0
169.10146	16.3
171.10233	2.1
171.11659	12.6
173.09628	2.9
173.11859	2.5
173.13322	5.7
175.11264	1.1
175.14899	2.7
179.08630	4.6
180.09415	1.8
181.10118	9.3
182.11075	1.3
183.11699	12.5
185.09671	2.3
185.13242	7.2
187.11334	1.4
187.14845	2.4
189.11244	17.0
189.12845	0.9
192.09416	1.2
193.10165	5.2
195.11707	7.6
197.13234	8.5
199.14833	3.8
205.10100	2.0
205.15855	1.3
206.10912	1.5
207.11758	3.8
209.13271	6.9
210.13962	1.3
211.14816	6.0
213.16449	3.7
215.14371	2.0
221.13351	3.5
223.11320	1.5
223.14917	5.1
225.16431	3.5
227.12753	16.1
229.14120	1.5
233.13255	1.5
235.14861	2.5
237.16454	3.4
239.14156	1.3
239.18039	5.9
245.13753	1.6
249.16461	3.4
251.18102	2.1
253.15886	2.2
253.19719	2.2
254.80760	1.3
257.19104	3.1
259.20682	2.9
261.18784	1.4
271.16943	24.3
273.18509	2.0
275.20129	5.4
279.21109	1.3
289.17871	8.1
291.19608	5.3
297.22406	1.6
299.20316	1.9
299.23560	1.4
321.22153	1.9
335.25900	2.8
341.23969	1.3
345.20840	3.7
351.14200	1.2
361.29062	1.4
363.22461	1.2
363.26993	2.7
377.28519	2.7
379.29984	9.5
405.27573	1.5
433.31403	1.3
476.21436	1.4
513.37531	2.5
525.35864	10.1
531.38086	5.8
541.34790	2.1
549.39575	4.9
553.72089	1.3
554.35901	3.0
563.26404	4.2
587.41302	1.9
605.41986	20.6
623.28284	17.5
623.43091	100.0
624.28259	1.7
624.43591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
53.17751	1.4
55.01866	2.9
55.05522	17.7
57.03430	6.1
57.07073	1.9
59.43670	2.0
61.02930	22.8
65.03931	2.5
67.05508	31.6
68.59122	1.3
69.03424	6.8
69.07068	12.4
71.04980	2.9
71.12081	3.0
71.12456	2.8
73.02920	8.9
79.05497	32.2
81.03408	6.0
81.07059	32.2
83.04981	3.9
83.08624	11.2
85.02908	21.5
91.03962	12.3
91.05486	36.2
93.07050	27.9
95.04956	4.3
95.08604	22.8
97.02899	13.9
97.06566	7.2
97.07092	1.5
97.10160	4.1
99.08094	1.8
103.05494	2.5
105.07035	32.4
107.04942	4.3
107.08566	13.3
109.02878	2.8
109.06528	5.2
109.10161	8.4
111.08063	4.1
115.05447	5.0
117.07023	30.2
119.08594	16.0
121.06509	5.2
121.10148	9.7
123.08139	2.8
125.09589	2.1
127.03929	3.5
128.06226	6.9
129.07010	26.4
131.04912	2.8
131.08568	31.7
133.06503	5.1
133.10147	10.4
135.08069	4.0
135.11702	4.6
137.05942	1.5
137.09648	2.6
139.11237	1.8
141.06987	14.2
142.07797	3.6
143.08569	25.8
145.05035	1.8
145.06483	8.2
145.10143	16.8
147.08076	6.4
147.11691	6.6
149.09581	4.5
153.06909	2.3
154.07732	1.6
155.08553	19.2
157.06464	3.1
157.10136	14.4
159.08025	4.3
159.11684	10.0
161.09587	4.1
161.13322	1.8
163.11198	3.2
165.07014	3.6
166.07739	1.9
167.08565	10.4
168.09334	2.7
169.10129	17.7
171.08047	2.9
171.11685	7.8
173.09645	3.1
173.13165	2.6
175.11176	3.7
177.12775	2.8
179.08542	5.8
181.10167	12.0
183.08115	2.9
183.11737	12.0
185.09595	3.4
185.13271	6.6
187.11156	3.2
187.14795	3.1
189.12753	2.3
191.08604	2.0
193.10147	6.7
193.12331	1.6
195.11719	10.6
197.13286	9.4
199.11273	2.8
199.14818	4.7
201.12732	2.7
207.11696	7.7
209.13284	7.4
211.11235	2.0
211.14830	5.5
213.12778	3.6
213.16432	3.1
215.14447	7.2
219.11806	2.6
221.13304	8.1
223.14824	9.2
225.12874	3.2
225.16402	3.4
229.14238	1.9
235.14842	2.8
237.16426	4.5
239.14360	5.2
241.15834	2.3
247.14725	2.1
249.16513	2.2
252.04613	1.6
253.15894	4.8
257.15384	4.9
259.17035	2.3
271.16940	5.0
285.18451	1.6
315.21091	3.6
323.23712	6.5
333.22168	14.0
341.24719	7.0
351.23196	47.9
369.24228	30.2
369.28555	2.7
387.25195	17.0
405.26617	2.3
425.26846	8.6
443.27963	100.0
461.28998	64.1
520.29669	1.8
605.33124	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2863
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
53.03898	0.5
54.35872	0.3
55.01841	0.4
55.05453	1.3
57.03385	1.6
65.03904	0.6
65.11744	0.3
67.05505	3.8
69.07001	0.9
69.07347	0.3
71.38672	0.6
79.05492	4.1
81.07057	3.4
83.04984	1.5
83.08582	0.4
85.06488	0.3
91.05481	3.7
93.07050	4.4
95.04903	1.1
95.08607	2.2
97.06465	0.4
97.39336	0.3
98.08182	0.3
105.07028	2.4
107.04958	2.0
107.07943	0.3
107.08599	2.1
109.06461	0.8
109.10078	0.8
111.04415	0.5
117.06950	1.0
119.08572	2.0
121.06464	0.5
121.10155	1.7
129.06918	0.8
130.07803	0.3
131.08566	1.5
133.10049	1.2
135.08005	0.5
135.11658	0.7
141.06941	0.3
143.08568	0.6
145.06393	0.3
145.10043	1.1
147.08012	0.5
147.11688	0.4
149.13167	0.3
155.08585	0.6
157.10103	0.7
159.08011	0.7
159.11656	0.7
161.09550	0.4
161.13272	0.4
163.07564	0.4
171.11613	0.6
177.12708	0.5
187.14717	0.3
189.12787	0.3
205.15994	0.3
207.11598	0.3
218.07214	0.3
225.16231	0.3
233.15359	1.6
243.17380	0.5
255.25563	0.3
261.18463	1.2
265.10031	0.3
265.66974	0.3
270.49796	0.3
271.16943	1.0
289.17999	4.0
325.53970	0.3
377.17520	0.4
389.17908	0.5
390.18561	0.4
391.19348	0.6
399.16159	0.3
400.17422	0.3
402.19196	0.3
403.19324	0.7
404.20227	0.6
405.20667	0.5
413.17590	0.5
414.18427	0.8
415.19397	1.7
416.19955	0.4
417.21317	0.5
418.17584	0.6
419.18103	0.8
419.22256	1.0
421.23273	0.5
427.19098	0.5
428.20105	1.4
429.20734	4.2
430.21619	1.0
431.17944	0.6
432.18903	0.7
433.19540	0.9
433.23941	1.1
434.21008	0.8
441.21167	0.4
442.21747	0.8
443.22522	2.6
444.23776	2.0
445.19254	0.4
445.24323	0.8
447.22394	2.0
448.21872	0.9
449.23538	1.5
455.18735	0.5
456.19382	0.6
457.19943	1.0
457.24753	0.8
458.24893	2.6
459.21478	2.9
460.22900	2.1
461.18457	0.7
461.24445	2.1
462.20380	1.8
471.21951	1.0
472.22565	4.3
473.23584	2.7
474.19952	0.6
475.20386	1.3
476.21811	2.9
477.22678	3.4
485.23376	5.1
486.24136	1.4
487.25140	3.4
488.21884	0.8
489.22977	1.3
490.23502	0.7
502.23529	0.6
503.24609	2.5
513.23138	0.5
517.26117	4.1
518.22614	0.4
519.23682	0.9
520.24786	0.5
521.21832	0.8
531.23999	4.7
535.25787	1.1
536.23730	0.9
545.25513	44.3
546.26080	2.0
548.23822	0.5
561.24664	0.5
562.25323	0.7
563.26184	15.3
564.27081	0.5
577.27930	1.2
591.25806	1.1
595.28430	0.4
605.27692	4.7
605.42175	0.4
623.28577	100.0
623.42780	4.7
624.28784	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77207	0.6
55.01876	1.1
55.05509	3.3
57.03430	1.8
57.60901	0.6
67.05508	6.8
69.07069	2.0
70.02451	0.6
71.05018	0.7
71.08610	0.5
79.05495	5.9
81.03423	0.8
81.07057	7.2
83.04971	1.2
83.08636	1.1
91.05482	5.5
93.07049	5.3
95.04967	2.6
95.08601	4.0
97.10168	0.9
105.07030	5.4
107.05003	1.0
107.08580	3.1
109.06516	2.9
109.10162	1.3
111.08105	0.8
117.07026	2.8
119.08603	3.4
121.10166	1.9
123.08086	0.7
125.09615	0.9
129.06999	0.7
131.08597	2.3
133.10144	2.6
135.08072	1.7
135.11708	0.7
143.08554	1.1
145.06470	0.7
145.10150	2.0
147.08083	0.8
147.11693	0.7
149.09723	0.8
157.10175	2.3
159.08170	1.3
159.11702	1.2
167.08589	0.7
169.10188	1.0
171.11656	1.5
173.09630	1.2
173.13217	0.7
175.11090	0.7
175.95697	0.5
183.11752	1.2
185.13310	0.7
187.14806	0.7
195.11763	0.7
197.13400	0.9
209.13242	0.9
271.17062	1.7
273.18619	1.8
289.17963	1.6
291.19598	1.2
347.22131	0.8
375.16214	0.7
377.18134	0.7
388.16647	0.8
389.17715	2.6
390.18344	1.1
391.19144	3.6
403.19467	3.4
404.20081	0.9
405.20697	8.5
406.21640	0.7
416.19864	0.7
417.16599	6.4
418.18002	2.4
419.18417	3.6
431.18463	5.6
432.19330	8.2
432.24606	0.6
433.20102	8.1
434.20630	0.7
443.18488	0.8
445.20251	1.9
446.21082	1.0
449.23547	1.3
459.21732	1.3
461.19699	2.3
463.21378	1.9
464.21741	0.9
475.21249	1.5
476.21973	4.6
477.23801	4.0
487.21918	0.6
489.22931	1.3
491.24478	1.0
519.23981	22.1
521.21985	1.5
535.25049	0.6
536.23798	0.7
549.39044	0.9
563.26416	12.1
579.25909	4.9
605.42059	2.2
623.28625	100.0
623.43073	6.9
624.28949	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19876	0.6
55.51400	0.6
66.01681	0.6
69.42268	3.4
69.42699	2.6
70.67403	0.7
81.07081	1.1
95.21425	0.6
97.00781	0.6
98.20792	1.2
116.94434	0.5
118.56680	0.6
281.76733	0.7
391.19324	1.3
400.51743	0.7
405.21115	2.3
418.17618	0.9
419.18640	1.8
420.23514	1.0
427.19006	0.7
428.20419	0.7
429.20590	2.1
433.20343	2.8
443.22327	1.0
444.23322	0.9
446.17477	1.2
447.17917	7.1
448.22455	2.9
449.23557	2.5
458.24622	1.1
459.21701	1.9
460.22672	1.0
461.19565	5.0
463.21176	0.9
472.22787	1.2
473.23370	1.5
475.21326	1.9
476.22006	22.1
477.22943	3.0
479.20248	1.2
485.23306	1.4
487.25055	1.9
489.19250	1.1
503.24539	1.3
517.25732	0.8
519.23975	1.5
527.55029	0.8
531.24158	3.1
536.23749	1.8
545.25464	10.5
563.26331	7.7
564.26642	0.9
591.25818	2.1
605.27594	2.6
623.28619	100.0
624.29218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37079	0.4
54.60364	0.4
55.05497	1.8
57.03449	0.4
57.10328	0.4
67.05502	3.7
68.04250	0.4
69.07059	1.4
79.05489	2.0
81.07061	3.2
83.04973	0.4
91.05467	2.7
93.07037	2.5
95.04964	0.5
95.08599	1.8
97.10143	0.4
101.84204	0.4
105.07027	2.0
107.04991	0.4
107.08591	1.3
109.10148	1.0
117.06989	0.5
117.75304	0.3
119.08602	2.9
121.10119	0.9
129.07034	0.7
131.08563	0.9
133.10143	1.2
135.08029	0.7
135.11714	0.5
141.06873	0.4
143.08575	0.9
145.10207	0.7
147.11700	0.5
157.10179	0.8
159.08067	0.4
159.11713	0.5
169.10216	0.5
197.13196	0.5
213.16435	0.5
223.12381	0.6
262.10391	0.4
271.17062	0.7
289.18082	0.8
313.03592	0.5
353.28625	0.4
375.16248	0.5
388.16800	0.6
389.17804	0.8
390.18686	0.6
391.19058	0.9
401.17670	1.3
402.18405	1.1
403.19400	1.8
404.20114	1.3
405.20947	1.6
407.22437	1.2
415.19690	0.9
416.20322	1.3
417.16443	0.8
417.21573	2.0
418.17340	0.7
419.23004	2.8
420.23257	0.8
421.24100	0.6
429.16406	0.5
429.21399	0.8
430.18042	1.2
431.17886	3.0
432.19092	0.9
433.20166	6.2
443.17996	2.2
444.18576	2.2
445.19827	4.8
446.21225	3.2
447.21954	5.3
448.22668	1.1
449.23157	0.6
457.20236	0.8
458.20834	6.7
459.21884	4.7
460.22934	3.4
462.20679	0.7
463.21268	1.3
472.22382	0.6
473.23373	1.4
475.21405	1.5
476.22156	1.4
477.22803	1.7
485.23181	0.7
503.24988	0.7
505.22696	1.7
507.26382	0.5
517.22516	1.2
518.22943	4.3
519.23895	1.0
521.22095	1.5
530.23083	0.6
531.24042	0.7
531.38007	0.6
532.24725	1.0
533.25604	8.2
535.27875	1.9
545.25470	3.7
546.26086	1.1
563.26514	9.0
573.24884	0.6
577.27332	0.5
605.27466	10.0
605.42297	1.2
606.27832	0.5
623.28619	100.0
623.42969	3.5
624.28906	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
57.03407	0.2
60.05631	0.1
60.69949	0.1
61.02908	0.1
68.99784	0.3
69.03430	1.1
70.06594	0.2
70.59599	0.4
71.04973	0.3
73.02931	0.2
81.03413	1.2
83.02462	0.2
84.08137	0.1
85.02903	1.6
87.00833	0.3
87.06720	3.2
91.05482	0.2
97.02905	0.9
99.04433	0.3
100.17210	0.1
100.72485	0.1
109.02888	1.2
111.04429	0.2
113.04630	0.2
117.96069	0.1
121.02824	0.2
126.03011	0.2
127.03935	1.3
136.07501	0.1
137.05939	0.1
141.01837	0.2
141.04088	0.9
142.04912	0.3
143.05647	100.0
145.04903	0.3
155.05630	0.2
159.02888	0.2
167.05673	0.2
175.03976	0.2
177.05539	0.2
185.06703	0.8
188.07019	0.3
189.05370	0.3
189.07289	0.1
206.69484	0.1
207.06581	0.3
209.06752	0.2
213.03967	0.4
231.05008	0.3
301.12662	0.3
303.05139	0.2
305.10938	1.7
319.12823	0.2
337.07370	0.2
373.09943	1.9
375.08783	0.1
377.01682	0.1
381.11832	0.2
433.12463	0.8
481.12289	0.3
493.14288	0.3
496.12177	0.1
499.13098	1.5
517.14105	1.8
535.15198	5.9
553.16205	0.3
623.23688	5.1
626.22369	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81998	0.1
60.89508	0.1
64.10008	0.1
65.03920	0.6
66.73562	0.1
67.05501	0.2
69.03420	0.4
71.60268	0.1
73.04029	0.1
73.79796	0.1
75.50896	0.1
75.77535	0.1
75.78687	0.1
81.03389	0.4
82.45591	0.1
83.02457	0.2
83.04958	0.4
83.43211	0.1
84.08152	0.1
85.02886	0.3
86.09723	0.1
87.06714	4.3
89.03896	0.5
91.79871	0.1
93.03394	0.3
95.04945	0.1
95.08595	0.2
97.02879	0.2
98.97611	0.2
101.03550	0.2
107.04932	0.3
109.02832	0.1
111.04433	1.3
113.04610	0.2
117.03342	0.5
121.02866	2.0
125.04646	0.3
126.03046	0.2
135.04420	1.3
136.07642	0.2
139.03908	0.2
141.04059	1.0
142.04842	0.4
143.05638	100.0
144.06012	0.3
145.02837	1.1
147.04428	0.2
163.02541	0.3
163.03900	4.9
181.04918	0.2
185.06718	0.2
207.13760	0.2
317.83984	0.2
369.74664	0.1
443.14066	0.3
461.15237	2.4
586.52844	0.2
623.18304	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	622.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
68.55782	0.4
71.44753	0.5
71.45111	0.5
106.06590	0.5
118.06645	0.5
120.08104	0.5
125.48937	0.5
130.06491	0.4
132.08136	1.3
144.08173	0.5
146.06107	0.4
168.08055	0.4
170.09595	0.6
176.46304	0.5
183.09213	0.6
185.28282	0.4
195.09149	0.8
196.09749	0.6
207.09283	0.9
209.10704	1.0
210.11298	0.7
211.08594	0.5
211.12222	0.6
221.10670	1.1
222.11372	0.8
223.08688	0.8
223.12291	1.7
224.13260	0.6
225.10211	0.9
225.13928	0.8
233.10703	0.8
234.11635	0.5
235.08745	0.5
235.12250	1.2
236.12949	0.7
237.06602	0.5
237.10214	0.7
237.13934	1.2
238.10986	0.5
239.15355	0.6
249.10234	0.9
249.13911	0.7
251.08226	0.7
251.11887	0.7
261.10181	0.4
261.13889	0.6
265.09689	0.5
265.13333	0.5
283.95450	0.5
288.11591	0.6
289.13394	0.5
302.12863	0.6
310.12946	0.5
311.95117	0.5
314.13055	0.8
339.13553	0.6
342.12369	0.7
352.14642	0.7
362.16629	0.6
363.16473	0.6
368.13965	0.6
374.15381	0.6
375.16092	1.3
376.16794	1.1
386.15500	0.4
388.17310	0.8
389.17981	2.3
390.18506	1.5
391.19080	1.5
402.15015	0.5
403.15457	2.0
403.19366	1.8
404.19977	1.3
405.16974	1.3
405.21133	1.2
406.21826	0.6
414.18213	0.5
416.15936	0.9
417.16782	4.8
418.17337	2.8
419.18640	1.8
419.23044	1.0
421.24161	0.7
429.17511	0.9
431.13693	0.7
431.18930	2.9
432.19427	3.4
433.20612	3.7
434.21130	0.6
436.18765	0.5
443.18793	0.8
445.16583	3.4
445.21445	0.8
446.16367	3.9
447.18076	7.7
447.22473	4.5
448.18387	1.4
448.22818	1.7
449.23938	1.0
457.20697	0.6
458.17493	1.0
459.17184	2.4
460.18170	4.2
461.19360	9.6
462.20456	6.9
472.18686	0.5
472.63589	0.5
473.19504	1.5
474.20367	1.5
475.21277	25.1
476.22025	12.6
477.23010	8.5
488.21555	1.4
489.23019	3.7
490.23453	1.3
491.20685	0.8
503.20337	5.7
505.22498	1.0
507.23904	1.4
515.21045	0.6
519.23700	1.7
520.23505	0.9
521.22119	1.5
531.23865	0.8
533.22345	1.8
534.26880	2.2
535.23096	13.1
536.24164	2.3
545.25262	0.9
546.25940	0.5
547.23071	3.9
548.23792	2.5
549.24628	1.7
551.26593	0.7
558.22687	0.6
562.25439	13.9
563.26520	16.6
564.25439	0.5
566.28888	2.1
575.23035	1.1
578.24774	0.6
579.26141	2.4
590.24982	6.6
591.26007	0.6
593.24133	6.2
594.28369	5.5
605.27588	1.0
607.25525	5.4
622.27771	100.0
623.28198	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	621.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.7
54.23138	1.8
54.25941	1.7
55.01871	9.7
55.05512	45.3
57.03422	8.7
59.30637	1.7
61.02914	6.9
65.03926	3.7
67.05172	3.3
67.05505	48.7
67.05866	2.7
69.03423	26.3
69.07067	16.0
69.60079	1.9
70.05938	8.8
71.04986	10.2
73.02906	3.8
79.05490	53.7
81.03415	38.1
81.07059	49.4
83.04970	12.6
83.08618	22.1
85.02901	19.8
85.06529	4.4
91.03947	3.1
91.05478	42.4
93.03386	2.0
93.07037	34.7
95.04963	13.8
95.08601	16.2
97.02885	21.0
97.06516	6.7
97.10172	37.8
98.21400	2.7
99.04421	4.7
99.08115	2.1
103.05465	13.3
105.03403	3.2
105.07027	35.7
107.04955	8.8
107.08585	26.5
109.02877	11.3
109.06506	7.7
109.10146	14.9
111.04420	7.3
111.08052	4.1
115.05479	9.9
117.06215	3.2
117.07014	48.9
119.04929	3.2
119.08581	22.8
121.06477	6.2
121.10135	9.9
123.04415	4.3
123.08054	6.7
123.11668	2.7
125.02347	1.9
125.09632	33.2
127.03901	14.0
127.33681	1.8
128.06221	7.7
129.07011	26.1
131.04907	5.6
131.08563	33.7
133.06494	9.7
133.10187	10.3
135.08066	10.8
135.11679	5.5
137.05988	2.7
137.09583	2.9
141.06967	13.1
142.07793	2.7
143.08551	19.7
145.06494	13.4
145.10135	15.8
147.08064	6.5
147.11652	8.6
149.09627	6.2
149.13245	3.3
153.09056	4.4
155.08533	12.9
157.06528	7.4
157.10143	8.3
159.08022	4.8
159.11665	5.2
161.09523	2.6
163.11172	5.5
165.06909	2.2
167.08542	8.4
169.10094	9.6
171.08067	7.1
171.11661	8.2
173.04448	8.8
173.09607	5.5
173.11734	3.0
173.13184	4.0
179.08533	2.5
180.09264	3.0
181.10114	5.2
183.08008	3.3
183.11679	5.4
185.09561	3.9
185.13235	7.8
187.11124	3.2
187.14862	11.6
189.11235	21.0
189.12730	4.0
191.10663	5.4
193.10252	2.5
193.12192	2.6
195.08055	2.6
195.11755	4.9
195.13647	3.0
195.24536	2.0
197.09578	3.4
197.13266	14.0
201.12791	3.2
205.10167	3.3
205.12102	2.9
209.09814	2.9
209.11713	7.5
209.13437	2.9
211.11272	2.7
213.12753	5.2
215.14307	49.8
217.12224	3.3
223.11206	3.9
225.12790	3.8
227.12694	21.7
231.13707	2.9
233.15422	4.5
237.12756	2.8
239.14400	2.7
241.12117	4.9
243.13696	2.8
245.13609	2.7
253.15823	2.3
257.15393	2.7
269.17624	2.5
271.16965	3.8
285.10202	3.2
323.16431	3.6
331.20578	3.7
335.15445	2.2
339.23206	3.2
349.21704	9.5
357.24170	3.3
367.22720	25.6
385.23636	23.8
403.24664	8.9
424.27338	2.5
441.26337	66.6
459.27396	100.0
477.28214	6.7
501.28448	4.1
567.29260	6.9
570.17401	2.0
585.30707	2.4
603.31775	11.3
621.32751	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
53.03937	0.2
54.74775	0.2
55.01860	0.2
55.05502	0.8
67.05504	1.6
69.07068	0.5
78.07899	0.2
79.05488	1.2
81.07045	1.2
83.08606	0.3
91.05487	0.7
93.07038	0.8
95.04977	0.7
95.08624	0.7
97.06525	0.4
97.10178	0.4
105.07036	0.8
107.04954	0.3
107.08596	0.5
109.06522	0.3
109.10162	0.4
117.07025	0.4
119.08587	0.6
121.10132	0.3
129.06992	0.3
131.08633	0.5
143.08539	0.4
145.10152	1.2
157.10112	0.3
169.10254	0.3
171.11664	0.2
180.33813	0.2
183.11641	0.2
189.11220	0.2
192.74216	0.2
209.10776	0.3
212.84248	0.2
221.10892	0.3
223.12376	0.3
229.84981	0.3
257.18765	0.2
271.05984	0.3
273.18607	0.6
275.20181	0.3
289.32019	0.2
291.19571	0.4
298.13611	0.2
324.15231	0.2
371.14777	0.2
372.14462	0.3
374.15091	0.2
375.16159	0.6
376.16922	0.3
386.16443	0.4
387.16254	0.8
388.16760	1.1
389.17642	3.2
390.18481	0.9
391.19312	0.6
401.17822	1.1
402.18832	1.4
403.19400	4.5
404.20135	1.8
405.20792	2.2
415.19205	0.9
416.16266	1.0
416.20190	1.0
417.17065	3.6
417.21085	2.5
418.17358	0.8
418.21545	1.0
419.22342	6.6
420.22983	0.7
429.21506	0.4
430.17123	1.2
431.18176	6.3
432.19162	2.8
433.20135	3.0
441.17029	0.4
443.18634	0.7
444.19696	0.4
445.20074	6.0
446.21033	5.7
447.21808	8.9
448.22495	0.5
459.22815	2.5
460.18701	0.9
460.23676	0.5
461.19302	1.3
463.21634	0.4
473.19489	1.1
473.23996	0.9
474.20380	5.8
475.21341	6.9
476.21802	0.3
477.23227	0.3
487.21280	2.8
488.22156	0.8
491.19794	1.2
501.23044	1.8
503.20532	0.3
504.22003	0.3
505.27075	1.3
506.98184	0.3
518.23260	0.7
519.19684	0.4
529.22278	0.4
533.25549	12.6
534.25787	0.4
546.22949	0.3
561.24976	20.2
562.25446	0.6
589.24377	0.9
593.27545	3.6
621.27069	100.0
622.27161	3.1
636.45471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.33883	2.5
71.60526	2.9
71.60941	4.1
77.98826	2.9
108.01551	2.7
139.23019	2.9
283.74237	3.2
288.52509	3.2
362.96228	3.0
401.17786	3.1
404.20328	3.8
405.92426	2.7
416.20926	3.1
419.22559	3.3
435.60397	2.9
446.20947	4.5
447.21475	4.9
459.18082	3.4
474.20563	6.5
475.21201	16.7
487.21344	4.7
501.22952	3.7
533.25555	8.9
561.25037	29.6
621.27142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.76951	0.4
55.74241	0.4
80.69675	0.4
105.08077	0.5
154.98795	0.5
181.35463	0.5
193.15482	0.5
197.10677	0.6
200.86650	0.5
209.11104	0.5
221.10869	0.6
221.83347	0.4
234.22359	0.5
249.10033	0.5
272.23508	0.5
290.47818	0.4
296.79059	0.5
371.14627	0.5
374.15833	0.8
375.16190	0.9
376.17059	0.6
387.16135	1.3
388.16818	1.5
389.17691	3.6
389.37683	0.4
390.18542	1.2
391.19138	1.2
397.99301	0.5
401.17807	1.1
402.18561	2.1
403.19455	5.5
404.20282	2.1
405.20795	3.3
415.19507	0.9
416.15845	0.9
416.20590	1.0
417.16226	4.8
417.21243	2.4
418.17111	0.9
418.21954	1.0
419.22479	8.1
420.23257	1.0
426.19440	0.5
429.17441	1.4
430.17673	1.2
431.18179	9.3
431.23621	0.9
432.19205	3.4
433.19913	2.6
443.18973	1.0
444.19550	0.7
445.20145	7.2
446.20963	8.0
447.21848	11.2
448.22794	0.8
458.21176	0.6
459.17273	1.2
459.22055	2.1
460.18890	1.4
461.19382	2.1
473.19113	0.8
473.24173	1.2
474.20331	6.5
475.21207	7.2
477.22928	0.5
487.21219	3.6
488.22293	0.7
491.20999	1.6
501.23105	1.9
505.26318	1.0
518.23096	0.8
519.20319	0.8
529.22620	1.0
533.25586	15.3
534.25635	0.8
561.25037	21.6
562.25629	1.5
589.23950	0.7
593.27667	3.6
621.27106	100.0
622.27484	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	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84394	0.3
70.85860	1.0
80.38564	0.4
97.92232	0.3
126.61812	0.4
159.52156	0.3
177.16037	0.4
207.09084	0.5
209.10654	0.4
221.10706	0.5
223.12250	0.4
233.10605	0.6
300.11276	0.5
300.14746	0.5
322.13757	0.4
362.16281	0.5
373.14410	0.6
374.15530	0.8
375.16043	1.6
386.16208	0.4
387.16196	1.8
388.16721	1.7
389.17664	6.4
390.18558	2.2
391.19153	0.9
400.17340	0.6
401.18054	2.1
402.13885	0.4
402.18781	3.1
403.19373	9.1
404.20081	4.3
405.20749	2.9
413.17706	0.5
415.14630	0.7
415.20029	1.8
416.16235	2.1
416.20218	1.8
417.17001	5.7
417.20975	5.2
418.17715	1.6
418.21887	1.4
419.22382	11.8
420.23019	0.7
426.17981	0.4
429.16638	0.8
429.21579	0.6
430.17276	1.9
431.18057	9.8
432.18918	3.7
433.20184	2.0
441.16644	0.6
443.18729	1.4
444.19366	1.2
445.20135	9.8
446.21024	6.3
447.21790	13.6
448.23148	0.7
457.20370	0.9
458.21109	0.6
459.17386	1.6
459.21848	3.6
460.18259	0.9
460.23462	0.6
461.19736	0.8
473.19583	1.7
474.20386	13.8
475.21292	18.1
477.22818	0.5
486.20782	0.4
487.21249	5.5
488.22040	1.1
489.22827	0.8
491.20755	0.7
492.25015	0.5
501.22937	2.8
503.20935	0.5
505.26852	1.9
517.22180	0.8
518.23077	0.9
519.20404	0.5
529.22284	1.1
533.25562	12.1
534.26208	0.4
546.22723	1.2
561.24982	84.3
562.25128	3.5
562.93518	0.4
589.24524	2.5
593.27704	3.5
621.27087	100.0
622.27582	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01864	0.2
57.03419	0.2
60.05642	0.3
61.02916	0.2
67.05512	0.2
68.99776	0.2
69.02531	0.1
69.03429	1.2
69.07066	0.7
70.06583	0.2
70.79199	0.1
70.81047	0.4
71.05005	0.2
73.04031	0.1
79.05472	0.3
81.03415	1.4
81.07039	0.2
84.08128	0.2
85.02899	1.4
87.00817	0.3
87.06708	3.8
91.05477	0.4
93.07017	0.3
97.02904	1.0
99.04439	0.4
101.03488	0.1
105.07046	0.3
107.04945	0.1
107.08607	0.2
109.02875	1.6
109.06504	0.2
113.04568	0.3
113.91505	0.1
114.81542	0.1
115.06151	0.2
117.03310	0.2
119.04930	0.3
119.33372	0.2
121.02860	0.2
123.04408	0.3
123.08104	0.2
125.04562	0.2
126.02999	0.3
127.03902	1.9
136.06190	0.7
136.07504	0.3
137.05927	0.2
140.07034	0.1
141.01843	0.2
141.04074	0.9
142.04863	0.5
143.05634	100.0
144.06013	0.3
145.02853	0.6
145.05025	0.3
145.06444	0.2
147.04393	0.6
147.08058	0.1
149.09599	0.2
151.03970	0.2
163.03908	0.2
167.07072	0.3
167.10591	0.2
173.00702	0.1
173.02214	0.1
175.03903	0.2
177.01782	0.1
177.05449	0.8
181.05008	0.4
185.06694	0.4
195.02834	0.3
203.03062	0.1
207.06514	0.3
209.06587	0.2
211.11879	1.6
213.03940	0.2
231.04955	0.2
232.07065	0.2
237.02771	0.2
269.08948	0.1
299.11209	0.2
305.10873	1.7
307.09760	0.2
321.07562	0.5
333.07523	0.5
347.09082	0.1
351.08652	0.6
359.09305	0.1
363.08560	0.4
373.09927	1.9
377.10364	0.2
405.09695	0.5
417.09671	0.2
429.09940	0.2
433.11716	0.3
435.10806	0.2
441.16055	0.2
447.10938	0.2
453.11871	0.3
465.11816	0.2
481.11703	0.2
483.12619	0.4
499.13116	1.4
501.13519	0.1
507.12988	0.2
517.14203	1.3
525.13452	0.1
535.15118	3.0
549.14124	0.3
553.16669	0.4
567.15027	0.2
603.21149	0.3
621.22137	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.05527	0.1
57.03446	0.2
60.05608	0.1
69.02512	0.1
69.03416	1.1
69.05572	0.1
69.07058	0.9
69.84879	0.3
69.85294	0.4
70.06590	0.4
71.04999	0.2
73.02896	0.1
73.04012	0.1
81.03416	1.1
84.08137	0.1
85.02907	1.1
86.09694	0.2
87.00838	0.3
87.06715	3.8
91.05478	0.2
93.07058	0.1
95.04964	0.2
97.02903	0.8
99.04397	0.2
105.01876	0.1
107.04939	0.1
109.02876	1.2
111.04430	0.1
111.08083	0.1
113.04601	0.3
115.06128	0.1
117.03345	0.1
121.02854	0.3
122.07150	0.2
123.04416	0.1
125.04588	0.2
126.03079	0.1
127.03933	1.3
135.04382	0.1
137.05974	0.2
138.09941	0.1
141.01785	0.2
141.04070	1.1
142.04816	0.4
143.05638	100.0
145.02837	0.4
145.04967	0.3
147.04410	0.2
155.05640	0.8
163.03915	0.2
167.07060	0.2
175.03940	0.1
177.05507	1.1
178.05847	0.1
181.04979	0.2
185.06728	0.6
207.06647	0.1
211.11893	1.8
231.04924	0.3
305.10886	1.9
310.78793	0.1
323.40018	0.1
373.09866	1.8
373.17139	0.3
391.10953	0.2
417.22464	0.1
433.12173	0.5
481.11969	0.2
499.12967	1.2
517.14117	1.1
535.07800	0.2
535.15216	3.1
553.16174	3.5
585.19928	0.1
585.97333	0.1
603.21216	0.3
621.22144	2.9
621.29962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1816
Annotation	Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03941	0.2
55.01863	0.2
55.05497	0.4
56.96568	0.1
57.03435	0.3
61.02914	0.2
67.01852	0.4
67.05495	0.4
68.99799	0.3
69.03426	0.8
69.07055	0.4
69.41054	1.2
70.06590	0.2
71.01323	0.1
71.04988	1.5
72.08116	0.1
73.02902	0.3
75.70132	0.1
79.05476	0.4
80.11056	0.1
81.03411	0.7
81.07052	0.8
83.04971	0.4
83.08598	0.1
83.50723	0.1
84.08154	0.2
85.02425	0.2
85.02906	2.8
85.10886	0.1
85.15306	0.1
87.06686	0.3
91.05493	1.0
93.07045	0.7
95.04980	0.2
95.08587	0.5
97.02895	0.6
97.06513	0.2
97.10144	0.1
99.04455	0.4
103.03944	0.3
105.07034	0.2
107.04938	0.2
107.08578	0.5
109.02872	0.7
109.06487	0.2
109.10129	0.2
111.04446	0.4
111.08054	0.2
117.03377	0.4
119.04934	1.6
119.08552	0.3
121.02837	0.9
121.10138	0.3
123.04454	0.2
123.11692	0.2
125.09614	0.2
127.03930	1.0
129.01830	0.2
129.05490	0.7
129.07033	0.2
131.04886	0.1
131.08577	0.2
133.10139	0.3
135.08081	0.2
135.11691	0.2
137.05945	0.3
143.05641	3.3
145.02827	1.4
145.04993	0.2
145.06349	0.1
145.10179	0.2
147.04369	0.3
149.09647	0.1
151.03911	0.1
151.07417	0.1
153.01819	3.7
157.10199	0.1
163.03915	0.5
167.07008	0.3
171.02895	1.0
175.03859	0.4
177.05476	1.2
178.04919	0.2
179.06973	0.1
181.04970	0.1
187.03922	0.3
187.05980	0.3
191.10669	0.1
203.06963	0.1
205.07014	0.3
206.04454	0.2
207.06541	0.5
208.06923	0.2
225.05405	0.3
229.04947	0.3
237.07442	0.2
243.06519	0.3
247.06049	0.2
259.07773	0.1
271.06000	100.0
272.06339	0.5
287.05453	0.2
313.07147	0.9
355.15546	0.2
373.12943	0.2
379.08047	0.2
475.12405	0.9
561.29352	0.2
565.53790	0.2
621.18298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01868	0.8
55.05504	7.0
57.03202	0.8
57.03441	9.5
57.07066	1.2
59.04989	2.6
61.02917	2.3
65.03939	1.1
67.05505	60.1
69.03418	1.8
69.07070	8.4
69.25983	2.1
69.26392	5.5
71.04995	3.4
73.02902	0.8
79.05492	10.4
81.03416	1.8
81.07060	30.2
83.04973	2.8
83.08618	6.8
85.02896	3.9
85.06539	2.5
91.03954	1.7
91.05482	9.5
93.07046	20.4
94.46896	0.6
95.04966	2.9
95.08604	8.8
97.02851	1.0
97.06545	3.5
97.10177	0.9
98.20697	1.4
99.08086	1.4
105.07025	3.0
107.08596	10.5
109.06486	1.3
109.10155	41.4
111.08065	3.5
117.07031	2.4
119.08582	3.6
121.06546	0.7
121.10137	5.8
123.11700	0.6
124.19690	0.6
127.03915	0.8
129.07033	1.1
131.08582	3.2
133.10127	3.0
135.08025	1.1
135.11687	3.5
137.09637	1.7
139.61891	0.8
147.11678	1.1
149.13269	9.5
155.10704	1.6
159.11684	4.5
173.11766	11.7
177.12756	1.9
195.13820	5.0
213.14861	1.0
229.14355	34.7
258.30734	0.6
269.17480	34.1
353.84561	0.7
423.27414	100.0
424.27591	1.6
471.45917	0.7
497.70694	0.7
592.33087	0.8
624.32184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01870	2.3
55.05513	1.9
55.44947	1.0
57.03437	1.8
61.02934	1.7
65.03934	1.5
66.04707	1.2
67.05502	2.5
69.03435	10.3
69.07082	2.0
69.94425	5.7
70.06577	1.9
71.04997	10.5
72.49236	1.0
78.04697	1.0
79.05495	4.2
81.03421	6.4
81.07053	4.7
83.04981	2.8
85.02912	13.8
87.04475	1.6
89.03941	1.6
89.06039	28.7
91.05492	12.3
93.07072	1.9
94.04187	3.2
95.04994	2.8
95.08612	1.8
97.02894	17.4
97.06495	1.6
98.09707	1.0
98.21477	1.9
99.04453	3.4
103.05491	5.9
105.07028	7.5
107.04958	3.9
107.08605	3.5
109.02885	10.2
109.06522	4.1
109.10154	2.0
111.04439	2.2
115.03961	1.9
115.05480	4.1
117.07041	2.4
119.04949	2.3
119.08592	4.7
120.08083	1.1
121.06519	1.2
121.10177	2.6
122.03654	8.3
123.08122	1.7
123.73436	1.1
127.03924	11.8
128.06213	2.6
129.06967	3.0
131.04945	9.4
131.08539	2.3
132.05705	3.4
133.06520	2.5
133.10207	2.1
136.07578	1.5
137.05981	100.0
140.17123	1.1
141.06996	1.4
143.05698	6.7
145.02858	2.2
145.04987	5.7
145.06464	2.1
146.03610	1.7
147.04411	2.6
147.08044	6.2
149.05966	1.6
149.09633	2.9
151.07541	1.9
151.11127	1.4
157.06544	1.2
159.07968	1.1
160.05226	4.0
161.05988	14.8
161.09663	1.2
163.07547	20.7
164.07121	2.9
167.07065	4.3
169.09776	1.4
171.08005	1.7
173.09663	1.7
173.13254	1.9
175.07552	66.1
177.05447	2.2
177.09039	1.4
184.05193	2.2
187.07602	3.8
189.09052	2.4
190.07806	1.0
191.08527	2.8
191.14322	3.4
199.07538	18.0
201.09064	1.8
202.07751	5.0
203.08560	10.0
204.32468	1.2
207.06567	3.6
209.15390	3.8
217.08612	1.1
219.08014	7.1
220.08850	3.8
227.11809	1.4
231.08070	12.8
232.08833	4.2
235.07510	1.1
237.09225	1.7
247.07552	3.3
248.08319	7.5
251.10732	4.4
255.11290	3.2
259.07614	9.7
260.08438	3.7
261.09186	2.1
263.10675	6.3
265.08557	2.7
271.05945	2.8
276.07867	6.0
277.08456	5.3
279.10254	3.5
280.10886	1.2
283.10562	2.5
287.05530	7.4
291.10178	21.7
292.10950	5.2
293.08099	2.6
295.13220	3.6
308.10333	2.4
311.12772	7.6
323.12793	30.7
325.14328	5.4
341.13858	1.5
353.13843	2.2
365.13791	1.4
401.14276	1.1
427.14868	2.8
619.26184	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01875	1.2
55.05516	1.0
57.03426	1.9
61.02919	1.3
67.05515	1.5
69.03429	8.5
69.07060	1.4
69.52888	2.6
69.53294	4.9
70.06575	1.3
71.04985	9.3
79.05487	2.9
81.03413	7.3
81.07064	2.8
83.04984	1.1
85.02906	10.6
85.30714	0.8
87.04482	1.1
89.06032	28.6
91.05478	8.1
93.07036	1.2
94.04182	3.6
95.04987	2.6
95.83486	0.9
97.02892	15.5
99.04468	1.9
103.05491	5.4
105.07037	5.5
107.04955	1.6
107.08630	1.8
109.02868	6.6
109.06513	3.7
111.04443	2.7
115.03941	1.3
115.05446	5.1
117.07029	2.8
119.04935	0.9
119.08592	7.1
121.06577	1.5
121.10155	1.1
122.03644	7.5
123.04399	1.6
123.08102	1.3
127.03931	10.8
128.06206	2.3
129.07001	3.1
131.04938	8.4
131.08575	0.9
132.05708	4.3
133.06464	3.2
133.10144	1.8
136.07553	0.9
137.05983	100.0
141.06985	1.5
143.05656	5.5
145.02841	1.6
145.04962	6.0
147.04427	2.4
147.08049	6.3
149.06006	1.6
149.09616	3.2
158.07179	1.0
159.08047	1.2
160.05254	3.5
161.05984	12.3
161.09605	1.3
163.07544	18.9
167.07021	2.3
169.06519	2.0
171.08110	1.6
173.05862	0.9
175.07552	68.1
177.05505	2.8
177.09154	1.6
184.05228	1.5
187.07588	4.3
188.01740	0.9
191.08629	3.1
191.14331	1.2
199.07547	18.1
201.09079	2.0
202.07768	4.8
203.08598	10.8
207.06599	2.8
209.15367	2.4
219.08078	4.8
220.08919	3.0
231.08075	13.7
232.08711	2.5
233.09731	1.1
237.09116	1.4
245.09689	1.3
246.88522	1.1
247.07693	1.9
248.08247	6.7
249.09209	1.9
251.10696	4.4
255.11320	1.5
259.07544	9.6
260.08313	4.2
261.09277	1.8
262.09961	1.2
263.10693	6.0
265.08554	2.7
271.05954	1.7
276.07870	3.6
277.08582	4.4
279.10226	4.3
283.10645	2.1
287.05533	7.3
291.10156	20.8
292.10989	5.1
293.08154	1.4
295.13425	2.3
308.10535	2.7
311.12839	9.8
323.12756	32.2
325.14310	5.8
335.12805	1.2
341.13721	1.2
365.13611	1.5
389.13776	1.0
448.82623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51936	0.3
53.03943	0.7
55.01873	0.7
55.05503	0.5
57.03428	0.6
59.13473	0.3
61.02934	0.4
65.03954	0.4
67.05499	1.7
68.99790	0.4
69.03425	2.2
69.07066	0.6
70.06601	0.5
70.67242	0.3
71.04974	0.9
71.15150	0.3
71.60744	0.5
73.02919	0.5
77.18535	0.3
79.05499	0.9
81.03409	2.2
81.07062	1.1
83.04959	0.4
85.02901	3.0
87.00831	0.4
87.04467	0.3
89.06056	1.6
91.05475	2.7
93.07040	1.2
95.04961	0.9
95.08592	1.0
97.02892	2.2
97.06544	0.5
99.04475	0.7
103.05486	0.4
105.01891	0.3
105.03373	0.3
105.07016	1.7
107.04970	0.7
107.08600	0.8
109.02892	2.0
109.06504	0.7
109.10152	0.6
111.04456	0.3
115.03974	0.3
115.05410	0.7
117.03384	0.5
117.07003	0.5
119.04933	0.8
119.08556	0.9
121.02832	0.6
121.06517	0.3
121.10134	0.8
121.13962	0.3
123.04424	0.4
123.08100	0.5
123.11695	0.4
125.06029	0.3
127.03935	2.7
128.06273	0.4
129.07004	0.7
131.04962	0.6
131.08572	0.6
133.06483	0.5
133.10094	0.6
135.04404	1.0
135.08086	0.7
136.07498	0.3
137.02327	1.1
137.05966	6.5
141.01845	0.5
143.05649	3.7
145.02853	0.3
145.04977	0.9
145.06461	0.9
145.10130	0.4
147.04436	1.0
147.08009	0.5
147.11711	0.4
149.05974	0.5
149.09612	0.9
151.03915	0.9
151.11192	0.4
152.84912	0.3
153.01822	0.4
153.05449	0.5
159.02856	0.5
159.08060	0.5
159.11754	0.3
160.05069	0.3
161.02333	1.0
161.05977	1.4
163.03886	1.8
163.07558	1.2
164.07091	0.3
165.01825	0.6
167.03430	0.6
167.07059	1.0
169.06497	0.4
171.02936	0.4
175.03918	1.1
175.07558	3.9
177.01839	1.4
177.05469	1.1
181.04980	0.5
181.06541	0.5
183.02882	0.9
187.07486	0.4
189.09061	0.6
191.07137	0.5
191.14270	0.8
197.05872	0.3
199.07564	0.8
201.05585	0.7
203.08583	0.7
207.06526	1.1
209.15402	1.1
218.07240	0.4
219.06467	0.5
223.03944	0.4
227.07068	0.4
231.08098	1.0
233.09727	0.6
237.05417	0.6
243.06566	0.6
245.04396	0.4
245.28984	0.3
247.07588	0.5
248.08148	0.3
251.06995	0.4
251.10744	0.6
255.06439	1.0
255.11288	0.6
259.07562	0.7
261.09180	1.0
263.10757	0.6
265.05017	0.8
265.08560	0.5
267.06549	0.3
269.08371	0.4
271.05948	0.8
276.51923	0.3
279.10278	0.7
281.04611	0.4
283.06049	3.9
283.09268	0.4
283.10712	0.4
287.05508	6.5
289.08578	0.6
291.10153	1.1
292.10956	0.3
293.04477	0.6
293.08020	0.3
295.05991	0.8
297.07547	0.7
297.11215	0.7
299.05496	22.6
307.09680	0.9
311.05493	4.9
311.09137	1.4
311.12823	0.9
313.07022	0.8
321.07474	0.5
321.11160	0.4
323.05539	3.6
323.12756	1.7
324.06232	3.1
325.06738	1.5
325.10471	0.8
325.14172	0.4
335.09146	4.4
337.07083	1.3
338.07874	4.3
348.71579	0.3
353.10184	100.0
354.10477	1.5
365.14206	0.4
371.11295	1.1
388.70975	0.3
427.14713	0.7
601.15546	1.8
619.20380	0.3
619.27576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2569
Annotation	RP 66453
Peak:m/z	Relative Intensity
55.01861	0.5
67.05496	0.7
69.03423	1.5
69.07069	0.3
70.06583	0.6
70.18191	0.9
71.04969	0.2
72.08137	0.2
79.05492	0.4
81.03419	1.1
81.07033	0.5
83.04961	0.5
84.08151	0.5
85.02894	1.8
87.00816	0.6
89.03910	0.3
89.06007	0.3
91.05477	2.4
93.07041	0.8
95.04982	0.5
95.08615	0.9
97.02913	1.3
105.07021	0.9
107.04980	0.6
107.08595	0.5
109.02884	1.2
109.06503	0.4
109.10163	0.5
111.04514	0.3
113.05992	0.3
119.04942	2.3
119.08586	0.8
123.04474	0.3
127.03917	1.5
133.10118	0.5
135.11740	0.3
136.07564	0.3
137.02298	0.5
137.05981	0.8
137.09659	0.4
143.05637	1.1
145.02858	1.5
145.10095	0.5
147.04411	2.8
149.05974	0.3
149.09665	0.7
151.03984	0.4
157.04019	0.3
159.02930	0.3
161.06001	0.3
167.07028	1.5
175.03897	3.3
177.05435	2.4
185.04242	0.4
189.12726	0.3
191.65891	0.3
201.12466	1.2
207.06531	6.9
207.13850	0.4
209.08055	0.3
213.03999	0.3
287.05457	2.0
291.08752	0.3
315.08755	0.4
339.10913	0.3
369.12140	0.8
391.09937	0.6
393.18945	2.4
497.21198	0.3
578.76428	0.3
585.25092	0.3
599.15002	0.3
617.25665	100.0
618.25861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01863	0.5
55.05498	0.4
56.96539	0.3
57.03454	0.4
61.02948	0.3
61.55428	0.2
61.59215	0.2
66.24835	0.2
67.05509	0.4
68.99815	0.4
69.03439	1.3
69.07076	0.4
70.18324	0.2
79.05486	0.4
79.19651	0.2
81.03424	0.8
81.07071	0.5
85.02917	1.0
91.05474	2.1
93.07058	0.8
95.04961	0.5
95.08613	0.6
97.02897	0.6
104.40926	0.3
105.03352	0.3
105.07027	0.6
107.04961	0.3
107.08556	0.4
109.02888	0.6
109.06499	0.3
109.10126	0.3
115.05412	0.3
119.04932	3.1
119.08578	0.4
121.10142	0.4
127.03926	1.2
129.01897	0.4
133.10204	0.3
137.05992	0.6
143.05638	2.4
145.02856	0.4
145.04988	0.3
147.04395	2.7
153.01836	0.3
159.02835	0.3
163.07487	0.3
167.07054	2.1
170.05788	0.5
175.03925	4.3
177.05522	0.5
201.12492	1.3
207.06538	9.2
225.10147	0.3
271.06067	0.8
286.04550	0.3
287.05490	3.1
369.11484	0.3
389.15775	0.3
391.10004	0.4
393.18970	1.9
494.19064	0.3
497.21384	0.6
599.16394	0.3
617.25690	100.0
618.25934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41634	0.2
53.03948	0.4
55.01883	0.3
61.02925	0.3
65.03955	0.2
67.05505	0.4
69.01258	0.2
69.03436	1.7
69.07050	0.5
70.06606	0.4
71.01360	0.2
71.04993	0.5
71.60912	0.4
72.08134	0.3
79.05502	0.5
81.03426	1.5
81.07050	0.7
83.04990	0.5
85.02905	1.7
85.06529	0.2
86.09736	0.4
87.00824	0.3
89.06038	0.6
91.05490	2.0
93.07039	0.6
95.04963	0.3
95.08604	1.0
97.02892	0.9
98.78359	0.2
99.04463	0.7
103.05463	0.2
105.07038	0.7
107.05009	0.2
107.08625	0.5
109.02878	1.2
109.06506	0.2
109.10175	0.4
111.04435	0.3
117.03422	0.5
119.04927	1.7
119.08589	0.7
121.10157	0.6
123.04456	0.4
123.08108	0.6
127.03907	1.4
129.07001	0.3
131.08551	0.3
132.08875	0.2
133.06528	0.3
133.59500	0.2
135.11714	0.3
137.02348	0.4
137.06010	0.6
137.09531	0.2
143.05649	1.4
145.02817	1.1
145.04950	0.5
145.06468	0.3
147.04391	2.3
147.11734	0.4
149.09648	0.5
153.01837	0.4
161.13239	0.4
167.07014	1.4
175.03920	2.4
177.05455	2.7
179.07094	0.3
185.04286	0.4
189.12794	0.4
193.08653	0.4
201.12498	1.6
207.06537	6.8
207.13887	0.7
208.06824	0.3
287.05515	1.9
301.07037	0.3
369.11902	0.5
391.10117	0.6
393.18872	2.7
409.11310	0.2
497.21518	0.4
617.25702	100.0
618.26105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50571	0.5
55.05512	1.1
56.96565	20.4
57.07074	0.6
67.05499	2.5
67.64168	0.5
69.03458	0.7
69.07072	1.0
69.65808	0.5
70.06580	0.5
74.97619	0.8
79.05490	2.4
81.03419	1.6
81.07059	2.8
83.08624	0.6
84.96036	15.8
87.99927	0.5
91.05461	2.7
93.07037	3.5
95.04974	1.1
95.08622	2.0
96.79208	0.5
98.97581	9.1
102.97054	3.4
105.06398	0.5
105.07021	2.8
107.08598	1.8
109.06514	0.7
109.10180	1.2
110.97589	1.0
112.99176	0.6
116.98616	9.0
117.07027	0.8
119.08582	2.7
120.98138	0.9
121.06505	0.6
121.10156	1.6
123.08057	1.2
124.99151	0.7
128.98602	2.7
131.00169	2.2
131.08594	1.8
133.10136	2.0
134.99649	6.5
135.08041	0.8
140.00299	0.9
140.98642	1.2
143.00180	6.9
143.08585	0.9
144.98068	2.6
145.10139	1.9
145.45686	0.6
146.99643	5.3
147.08109	0.9
147.11726	1.0
149.01224	3.3
149.71884	0.5
151.07544	0.7
153.00766	1.1
155.00171	1.6
157.01773	1.9
157.10159	1.4
158.01318	0.8
158.99626	2.8
159.11699	1.3
161.01218	18.5
162.99149	7.8
163.11171	0.7
165.00734	2.3
167.02299	1.8
167.10703	1.3
171.11746	0.9
172.94337	0.6
173.01245	4.5
175.11295	0.6
175.14743	0.7
177.00702	2.5
179.02287	4.6
180.94800	0.7
181.00227	1.7
181.12279	0.9
182.99641	3.5
184.02821	2.0
190.95436	2.1
191.02345	2.0
194.96310	0.6
198.95868	6.5
201.00706	10.3
209.13135	0.7
212.97421	0.6
216.96936	2.3
219.01791	3.3
221.15399	1.8
222.95865	0.5
224.02330	1.0
224.97379	0.8
228.96971	1.5
240.96863	3.5
242.98535	1.7
246.95901	1.4
246.98085	1.4
254.98398	0.7
258.98074	1.8
264.96857	7.6
264.99100	0.6
266.00192	0.6
282.97943	14.8
283.00900	1.0
287.98422	0.8
300.98999	10.8
305.14771	0.6
305.99649	2.1
317.17880	21.4
324.00714	0.8
335.18924	11.1
357.01797	1.4
358.20401	2.5
375.02722	2.7
391.21716	1.7
557.21100	1.5
599.22150	2.4
599.41443	0.7
617.23022	100.0
617.36481	9.3
618.23358	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	617.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05513	1.7
56.14939	0.6
56.96562	25.9
56.96844	1.3
66.20942	0.6
67.05504	2.6
69.07069	1.1
70.06580	0.8
70.93320	1.5
71.04990	0.7
71.70219	0.5
71.95272	0.7
74.97600	1.1
79.05492	2.0
81.03431	1.4
81.07052	2.9
84.96034	14.6
85.02940	0.7
88.86939	0.6
91.05492	2.0
93.07055	2.5
95.04974	1.0
95.08604	1.7
98.97572	9.9
98.98174	0.7
102.97073	4.1
105.07030	2.4
107.08601	1.3
109.10168	1.0
110.97517	0.6
111.16792	0.5
112.99176	1.0
116.98614	10.1
117.07017	1.3
119.08596	1.7
120.98141	1.0
121.10172	2.2
124.99153	1.2
128.06250	0.6
128.90263	0.5
128.98607	3.5
130.99284	0.5
131.00102	2.8
131.08557	0.5
133.10136	1.4
134.99657	7.7
135.04247	0.6
135.08029	0.6
140.00159	0.8
140.98622	1.5
143.00160	6.0
144.98111	2.2
145.10170	1.2
146.99631	6.1
149.01215	3.6
153.00751	1.0
155.00165	1.8
155.38091	0.7
157.01741	1.9
157.10114	1.0
158.01199	0.8
158.99715	2.5
159.11717	0.6
161.01222	21.1
161.09639	0.6
162.99126	8.7
165.00737	2.2
167.02364	1.6
167.10718	1.0
170.67267	0.6
172.94261	0.7
173.01204	5.0
175.02744	0.9
177.00728	2.5
179.02235	4.6
180.94739	0.8
181.00276	1.7
181.12277	0.7
182.99684	3.2
184.02863	1.9
186.00687	1.0
190.95351	2.0
191.02301	2.2
198.95874	5.3
201.00703	9.9
202.03824	0.7
203.02263	1.4
210.35522	0.5
212.97377	0.6
216.96915	2.9
219.01778	3.9
221.15230	0.9
224.02295	1.1
224.97409	1.2
228.96970	1.2
233.15265	0.7
240.96893	4.9
242.98569	2.1
246.95764	1.3
246.98042	2.1
254.98482	1.0
258.98068	2.2
264.96924	7.7
282.97952	14.6
287.98431	0.9
300.98987	10.4
305.99606	1.6
317.17862	20.0
333.20471	1.0
335.18890	13.0
357.01886	1.0
358.20520	2.8
375.02774	1.2
391.21707	2.0
557.06671	0.6
557.20996	1.1
599.22040	2.5
600.67902	0.6
617.23010	100.0
617.36438	9.6
618.23206	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	617.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99784	0.2
53.03952	0.2
56.96555	0.8
57.03413	0.3
60.05643	0.3
65.03934	0.4
67.05519	0.2
69.03414	1.1
70.06596	0.3
71.04978	0.3
71.59917	0.3
72.08154	0.3
81.03411	0.7
83.53620	0.2
85.02901	0.5
87.06718	2.9
95.04929	0.2
95.55232	0.2
97.02914	0.5
97.12984	0.2
104.69584	0.2
108.02094	0.4
109.02882	0.6
111.04431	0.6
117.03422	0.2
119.04924	0.3
123.04408	0.5
125.05965	0.2
127.03905	0.5
134.99736	0.2
135.04422	0.5
139.03896	0.3
141.04092	0.5
141.05466	0.9
141.13263	0.2
143.05641	100.0
144.05968	0.2
145.02837	0.3
147.04416	0.8
149.65810	0.2
151.03908	22.9
151.04968	0.9
163.03946	1.7
169.04933	0.3
175.03874	0.4
177.05429	0.6
185.06770	0.3
207.06496	0.5
218.71568	0.3
237.02824	0.3
255.01625	0.4
273.02805	0.6
295.08231	1.3
313.09155	1.9
317.70389	0.2
339.11050	0.2
388.06998	0.2
429.06958	0.2
455.14053	1.3
459.82758	0.2
552.79706	0.3
599.09241	0.5
617.19366	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	617.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
55.05495	0.1
65.03911	0.2
65.49787	0.1
67.05463	0.3
69.03433	0.7
71.60323	0.1
79.05460	0.3
81.03379	0.6
81.07048	0.3
83.04931	0.2
85.02909	0.6
87.00816	0.1
89.03874	0.1
91.04969	0.1
91.05470	1.4
93.06994	0.4
95.04945	0.2
95.08567	0.3
97.02847	0.5
99.04449	0.1
101.33300	0.1
103.05466	0.1
105.06998	0.3
107.08551	0.3
107.25741	0.1
109.02869	0.6
109.06477	0.2
109.10117	0.2
111.04363	0.1
113.97616	0.1
119.04940	1.4
119.08550	0.3
121.06457	0.3
121.10065	0.2
122.05981	0.2
127.03862	0.4
129.01808	0.1
129.06963	0.1
133.02803	0.1
134.03633	0.8
135.08075	0.2
135.11659	0.1
136.05118	0.1
137.02298	0.2
137.05951	0.2
137.09608	0.2
141.01794	0.1
145.02837	0.1
145.10074	0.2
147.04404	1.4
147.11598	0.2
149.09581	0.1
151.03825	0.2
153.01767	0.1
163.11064	0.2
165.01831	0.3
167.07050	0.2
175.03902	2.1
183.02911	0.4
185.05972	0.1
185.30399	0.1
187.11040	0.1
207.06529	3.9
207.13721	0.2
213.05469	0.2
214.06201	0.3
225.05388	0.2
228.04080	0.2
229.12294	0.2
241.04933	1.5
242.05853	0.6
245.08018	0.2
249.10039	0.1
251.11713	0.2
253.04910	0.2
263.11755	0.1
265.13461	0.4
269.04416	0.5
270.05222	2.6
281.04578	0.1
285.07477	0.2
288.06003	0.1
291.08661	0.2
293.12616	0.2
297.03915	0.4
297.07428	0.2
298.04712	32.3
299.05035	0.5
299.08228	0.1
301.62946	0.1
309.12146	0.2
311.13721	0.3
313.07031	100.0
314.07410	1.4
315.08542	0.2
337.11664	0.2
339.13293	0.4
351.12360	0.1
363.09494	0.1
369.13330	30.4
370.13690	0.5
371.15948	0.3
390.13593	0.1
432.18918	0.1
460.18796	0.5
464.22009	0.5
492.21188	0.4
585.26837	0.2
598.61658	0.2
599.15662	0.3
617.18988	1.4
617.29932	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	617.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	0.9
69.38058	3.3
70.06596	0.8
73.02901	0.5
81.03424	0.6
84.08167	0.5
84.17775	0.3
85.02903	1.4
86.09706	0.7
91.05495	0.4
95.04997	0.4
97.02902	0.8
105.07016	0.5
107.04942	0.4
110.07168	2.3
111.05585	0.3
111.07500	0.5
119.04961	0.5
122.51810	0.3
136.06169	1.2
137.06000	1.0
143.05644	1.6
145.02858	0.8
147.04424	1.1
162.07748	1.2
164.06830	0.4
167.07076	1.2
175.03906	0.6
177.05487	2.6
207.06520	1.0
211.09592	0.8
287.05505	0.9
309.03729	2.9
310.07193	0.4
322.67963	0.4
331.09933	3.0
345.04782	0.5
407.09784	0.4
438.77557	0.4
454.22903	0.9
455.23120	0.6
471.09216	0.5
617.14728	100.0
618.15002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56684	0.1
53.03903	0.1
67.01860	0.6
67.05489	0.1
68.99775	0.5
69.03428	0.1
69.07072	0.8
69.27705	0.3
69.28136	0.4
70.06573	0.2
73.02895	0.1
79.05479	0.1
81.03409	0.3
81.07072	0.1
85.02895	0.2
89.03921	0.2
90.82235	0.1
91.05470	0.1
93.07034	0.1
95.04960	0.1
97.02873	0.1
97.06503	0.1
99.04417	0.1
105.07067	0.1
107.04930	0.1
109.02853	0.4
111.00838	0.1
111.04434	0.1
112.07616	0.1
117.03412	0.2
119.04948	0.1
119.08620	0.1
123.04399	0.2
125.02314	0.1
127.03889	0.2
129.01796	0.2
135.04411	1.4
137.02315	0.7
137.05998	0.1
140.07059	1.3
143.05640	0.4
147.04369	0.2
151.03860	0.1
153.01817	4.6
161.02319	0.8
161.05934	0.1
163.03940	0.1
167.07025	1.1
168.06551	2.2
171.02888	1.4
171.04324	0.1
175.03888	0.1
177.05452	0.2
179.03418	0.4
185.05940	0.2
186.07645	0.1
193.08521	0.1
201.05539	0.1
203.03448	0.2
207.06389	0.1
211.09506	0.1
213.05424	0.2
219.06497	0.2
241.04959	0.7
245.04543	0.3
259.06003	0.1
263.05396	0.1
265.09113	0.1
269.04413	0.5
287.05487	100.0
288.05771	0.8
311.05243	0.1
312.10754	0.1
329.06400	0.2
353.06326	0.1
616.16443	1.0
616.25775	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	615.2417
Annotation	Buddlenol C
Peak:m/z	Relative Intensity
55.01883	0.4
55.05505	0.4
62.48420	0.3
65.03957	0.4
67.05503	0.8
67.96296	0.4
69.03424	0.8
69.07067	0.5
69.33129	3.9
70.06573	0.4
72.08166	0.5
79.05499	0.6
81.03397	0.9
81.07079	0.8
85.02917	0.7
91.05502	1.8
93.07045	1.0
95.04968	0.7
95.08591	0.5
97.02914	0.5
102.25481	0.4
102.26850	0.3
105.07036	0.8
109.02901	0.4
109.06535	0.3
112.62138	0.3
115.03982	0.3
115.43390	0.3
119.08579	0.5
121.06482	0.5
121.10172	0.4
123.04430	0.5
123.08114	0.5
124.79958	0.4
127.03921	0.7
133.06487	0.6
135.04460	0.4
135.11588	0.3
136.06239	0.4
137.06003	1.3
137.09540	0.3
139.58771	0.4
143.05692	2.2
145.02861	0.6
145.04974	0.5
145.10133	0.6
147.04375	1.0
149.05946	0.4
149.09668	0.5
151.03928	0.3
153.01808	0.5
163.03830	0.5
167.07074	4.0
168.07387	0.5
173.09634	0.4
175.03922	0.7
177.05568	1.0
181.05060	0.6
191.07109	0.4
207.06552	1.4
225.13895	0.5
239.15601	0.4
240.16219	0.7
271.06027	0.9
287.05521	6.6
353.15189	0.5
365.01794	0.5
366.02509	0.4
367.11737	0.3
582.72260	0.5
614.42883	0.8
615.24139	100.0
616.24646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.05505	0.4
62.48420	0.3
65.03957	0.4
67.05503	0.8
67.96296	0.4
69.03424	0.8
69.07067	0.5
69.33129	3.9
70.06573	0.4
72.08166	0.5
79.05499	0.6
81.03397	0.9
81.07079	0.8
85.02917	0.7
91.05502	1.8
93.07045	1.0
95.04968	0.7
95.08591	0.5
97.02914	0.5
102.25481	0.4
102.26850	0.3
105.07036	0.8
109.02901	0.4
109.06535	0.3
112.62138	0.3
115.03982	0.3
115.43390	0.3
119.08579	0.5
121.06482	0.5
121.10172	0.4
123.04430	0.5
123.08114	0.5
124.79958	0.4
127.03921	0.7
133.06487	0.6
135.04460	0.4
135.11588	0.3
136.06239	0.4
137.06003	1.3
137.09540	0.3
139.58771	0.4
143.05692	2.2
145.02861	0.6
145.04974	0.5
145.10133	0.6
147.04375	1.0
149.05946	0.4
149.09668	0.5
151.03928	0.3
153.01808	0.5
163.03830	0.5
167.07074	4.0
168.07387	0.5
173.09634	0.4
175.03922	0.7
177.05568	1.0
181.05060	0.6
191.07109	0.4
207.06552	1.4
225.13895	0.5
239.15601	0.4
240.16219	0.7
271.06027	0.9
287.05521	6.6
353.15189	0.5
365.01794	0.5
366.02509	0.4
367.11737	0.3
582.72260	0.5
614.42883	0.8
615.24139	100.0
616.24646	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
51.78678	0.6
55.01865	2.0
56.96550	0.8
57.03431	1.4
59.04266	0.6
60.26285	0.8
60.73307	0.6
61.02903	0.6
67.05506	1.0
69.03432	2.6
70.06584	2.7
71.04958	1.0
71.60332	0.6
71.60744	0.9
72.08153	0.9
81.03416	2.5
81.07012	0.9
84.08147	0.8
85.02907	7.2
91.05476	2.0
95.04948	2.0
97.02898	2.4
98.97541	0.8
105.03436	1.0
105.07004	0.8
106.58096	0.7
109.02950	1.5
109.10149	0.9
119.04945	1.5
121.02850	2.1
123.04433	100.0
127.03928	1.3
131.04944	1.2
133.06485	0.7
133.16039	0.6
133.94318	0.6
135.04437	1.4
137.05962	2.2
139.03900	2.4
143.05652	5.0
145.02869	0.7
147.04405	5.2
149.68069	0.7
151.03951	2.5
159.89310	0.8
161.05998	2.3
163.03918	5.0
165.05492	18.3
165.06885	1.0
167.07062	2.1
173.06044	0.8
175.03897	4.1
177.05516	3.8
181.04929	2.3
185.05951	1.1
187.03932	2.1
189.05511	3.4
193.04968	3.8
199.04054	0.8
201.05461	1.5
201.42996	0.8
203.06982	0.8
205.04953	6.7
209.06030	0.7
213.05496	1.5
215.03412	0.9
217.04968	7.4
223.05986	1.5
227.06830	0.9
229.05026	3.9
231.06561	1.9
233.04385	1.1
235.05927	4.0
241.04982	1.7
243.06534	2.2
247.05988	6.0
255.06546	1.4
257.04340	1.1
259.06027	7.5
269.08127	1.1
271.05994	4.9
273.07574	1.2
277.07141	2.8
281.04724	0.7
283.05975	2.6
285.07657	1.2
287.05505	2.0
288.05948	1.5
289.06543	2.7
290.06458	0.7
291.06744	1.3
295.05832	0.8
297.07654	2.2
299.05609	0.8
301.07132	4.8
309.07452	1.2
313.07156	2.5
315.08701	1.6
321.07605	1.3
323.05786	0.9
325.07211	3.2
327.08682	1.3
328.47867	0.6
329.06528	0.9
333.10059	1.0
339.08597	1.2
343.08264	1.5
345.09781	2.7
351.08728	0.9
355.07941	0.7
357.09659	3.0
363.08502	0.9
369.09851	3.5
381.09750	3.4
391.11649	0.7
393.09747	1.9
399.10660	5.8
405.09738	1.2
411.10782	7.3
423.10596	6.2
429.11566	2.0
435.10669	4.7
441.12015	2.6
447.12979	9.0
459.12527	1.3
465.11838	5.2
477.12576	2.8
483.12756	1.9
495.13062	2.5
501.13919	2.9
507.12933	2.5
513.14111	5.4
525.13940	1.6
543.15161	1.6
561.15820	0.9
615.22894	0.8
641.89624	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01859	0.3
55.05519	0.2
56.96573	0.1
58.66034	0.1
66.38079	0.1
67.01852	0.5
67.05488	0.6
68.99476	0.1
68.99802	0.6
69.03426	0.8
69.07050	0.5
69.40137	1.0
69.40543	0.2
70.06576	0.2
71.04980	0.2
73.02907	0.2
79.05483	0.7
81.03395	0.5
81.07049	1.1
83.04959	0.3
85.02907	0.5
85.06522	0.1
91.05473	1.5
93.07044	1.2
95.04958	1.3
95.08602	0.4
97.02866	0.6
98.20750	0.2
99.07540	0.1
103.05464	0.2
105.07032	1.2
107.01290	0.3
107.04959	0.7
107.08591	0.5
109.02904	0.3
109.06486	0.2
109.10128	0.5
111.04436	0.3
111.08085	0.2
112.29250	0.1
117.03376	0.4
117.07022	0.2
119.04925	0.4
119.08595	0.3
119.93638	0.1
121.02856	0.9
121.06503	1.1
121.10148	0.7
123.04435	0.3
123.08070	0.9
123.11711	0.3
125.02343	0.4
127.03900	0.6
129.01860	0.2
129.08038	0.1
131.04829	0.2
131.08575	0.3
133.06427	0.1
133.10112	0.4
135.04420	1.9
135.08078	0.2
137.02371	0.6
137.06010	0.7
137.09634	0.2
138.78716	0.1
143.05643	0.4
145.02829	0.2
145.10126	0.3
147.04396	0.5
147.11664	0.2
149.05975	2.4
149.09627	0.4
151.03909	0.3
153.01825	4.7
157.06462	0.1
157.10080	0.2
159.11685	0.2
161.02332	0.7
161.05841	0.1
161.09692	0.2
163.03914	0.2
163.07457	0.1
163.11166	0.1
167.07045	3.9
167.10722	0.2
171.02881	1.8
171.04263	0.2
171.11691	0.2
175.03889	0.4
177.05438	0.4
179.03392	0.3
181.04968	0.3
183.04546	0.1
185.08113	1.5
185.09613	0.2
189.05327	0.2
191.07037	0.3
193.08545	0.2
207.06534	0.5
213.05455	0.2
219.06456	0.2
241.05000	0.8
245.04404	0.2
263.05457	0.2
269.04257	0.4
278.94327	0.2
287.05487	100.0
288.05704	0.3
313.03519	0.3
329.06500	0.3
367.11282	0.2
387.14374	0.2
435.10974	0.4
449.10852	1.7
456.55453	0.1
495.06323	0.2
597.13910	0.2
615.16516	0.3
615.27112	0.2
615.34656	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	614.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.1
65.03918	0.2
67.01862	0.5
67.05510	0.6
68.99773	0.5
69.03420	0.3
70.06577	0.3
71.04991	0.2
71.51852	0.1
79.05485	0.3
81.03429	0.5
81.07057	0.2
82.36296	0.1
83.04982	0.2
85.02895	0.3
86.09678	0.1
89.03914	0.1
91.05504	0.4
91.05941	0.1
92.14452	0.1
93.07053	0.2
95.04964	0.3
95.08582	0.1
97.02903	0.5
99.04447	0.1
103.05452	0.1
105.07020	0.3
107.04955	0.2
107.08573	0.4
109.02897	0.4
111.04474	0.2
117.03376	0.2
117.07054	0.1
119.04972	0.1
120.08160	0.1
121.06463	0.2
121.10192	0.1
123.04397	0.1
123.32944	0.1
127.03891	0.3
129.01840	0.1
129.07005	0.1
131.04926	0.3
132.04439	0.3
133.06433	0.1
133.10034	0.2
135.04416	1.5
135.08051	0.5
137.02336	0.8
137.05981	0.3
138.05505	1.3
143.05624	0.4
145.06462	0.1
147.04436	0.1
149.06007	0.1
151.07538	0.2
153.01831	5.0
159.11652	0.1
161.02333	0.7
163.07565	0.2
164.07013	0.1
166.04982	1.5
167.07011	0.8
168.00600	0.1
171.02885	1.4
171.04333	0.1
173.09605	0.1
173.13255	0.2
175.03943	0.2
177.05495	0.3
178.04994	3.0
179.03412	0.4
181.04935	0.3
187.11183	0.4
191.07025	0.3
193.08470	0.1
201.12782	0.3
203.03471	0.2
205.12202	0.1
206.04497	5.0
207.06525	0.3
211.11301	0.1
213.05460	0.2
219.06514	0.2
221.04558	0.1
229.12227	0.9
241.05031	0.6
245.04309	0.1
247.13329	0.4
259.06180	0.1
263.05606	0.1
269.04346	0.5
271.05978	0.1
285.82227	0.1
287.05493	100.0
288.05869	1.2
310.09012	0.2
329.06470	0.1
350.08633	0.2
354.44220	0.1
596.21259	0.4
614.14771	0.7
614.23273	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03954	2.0
55.01861	1.0
55.05513	14.9
57.03442	4.3
57.07061	2.6
65.03943	1.5
67.05506	45.4
69.06720	1.5
69.07070	16.1
69.31284	0.8
71.04975	1.3
71.08627	0.9
71.56138	1.2
79.05495	25.0
81.07060	50.6
83.04967	0.9
83.08627	10.2
85.06551	1.8
91.05483	19.9
93.07047	32.9
93.07640	1.9
95.04976	3.4
95.08611	36.5
97.06537	2.7
97.10180	3.8
99.08076	1.0
105.07035	22.4
107.08601	21.1
109.06499	1.0
109.10153	23.5
111.11737	1.2
114.07588	0.8
117.07024	7.8
119.08582	21.0
121.10135	19.6
123.08109	1.8
123.11717	8.0
125.95840	0.9
129.07024	3.5
131.08575	15.8
133.10146	18.8
135.11702	13.1
137.13274	2.4
139.11217	1.4
141.06932	1.0
143.08563	5.7
143.96855	0.7
144.09328	0.9
145.10127	15.0
147.11691	14.1
149.13258	8.2
151.14841	1.1
155.08611	2.0
157.10098	6.4
159.11708	12.0
161.13278	8.3
163.14821	3.1
169.10172	1.6
171.11696	6.5
173.13260	9.5
175.14833	5.4
177.16408	1.3
183.11705	2.4
185.13319	4.7
187.14870	4.9
189.16418	2.4
197.13307	2.2
199.13261	1.0
199.14868	3.0
201.16449	3.6
203.17960	1.7
211.14830	1.5
213.14673	1.0
213.16434	1.6
215.17941	1.6
217.19595	2.3
225.16362	0.9
229.19580	1.2
231.21370	0.9
233.19086	1.1
241.19579	2.9
243.21095	2.5
245.18834	1.0
257.19342	0.9
259.20633	8.7
261.22195	10.0
263.23856	1.5
273.22107	2.1
275.23871	1.2
277.21747	1.3
281.21387	1.3
285.22104	1.8
287.23654	1.2
289.21588	0.9
299.23764	1.2
305.24704	0.9
309.24246	0.9
317.24969	1.8
333.24225	4.4
335.25842	13.9
337.27405	9.4
349.27313	1.0
355.29944	1.5
357.31622	1.0
489.35364	1.8
503.36850	1.9
517.39093	1.3
521.43335	5.6
539.44714	3.7
543.40448	1.6
595.47278	11.1
613.48273	100.0
614.48297	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03937	3.7
55.01863	1.2
55.05264	1.5
55.05513	20.7
57.03440	6.8
57.07079	4.7
64.95044	0.9
65.03944	2.7
67.05505	59.2
69.06733	1.5
69.07074	20.8
71.04984	2.4
71.08630	1.1
71.60381	1.5
79.05497	34.2
81.03472	1.0
81.07059	59.1
83.04993	2.7
83.08620	10.0
84.31702	0.9
85.06553	1.8
91.05478	26.2
93.07046	42.6
95.04985	3.3
95.08607	50.0
95.67812	1.0
97.06526	2.6
97.10165	6.1
98.45861	0.9
99.08068	1.8
105.07036	28.4
107.08591	26.2
109.06573	1.2
109.10157	24.4
111.08088	2.1
111.11705	0.9
115.05431	1.6
117.07019	12.6
119.08583	26.7
121.10151	20.4
123.08090	1.0
123.11694	9.1
125.09690	1.0
129.07025	6.2
131.08575	24.6
133.10130	20.4
135.11702	14.9
137.09602	2.0
137.13284	3.4
141.07013	1.1
143.08548	7.3
145.10132	18.8
147.11699	17.1
149.09621	1.3
149.13280	8.7
155.08490	2.2
157.10118	6.7
159.11702	12.1
161.13261	9.8
163.14824	3.5
169.10110	2.2
171.11674	6.5
173.13277	12.8
175.14854	5.2
183.11717	2.8
185.13287	5.7
187.14784	6.6
189.16423	2.0
195.11708	1.1
197.13292	2.5
199.14851	4.0
201.16489	4.6
203.17873	1.7
211.14951	1.3
213.16399	2.6
215.17931	1.6
217.19553	1.2
229.19560	1.4
231.21004	1.2
241.19536	2.9
243.21010	1.8
257.19028	1.1
259.20569	6.5
261.22098	10.8
262.76190	0.9
263.23730	1.3
275.23776	1.2
299.23804	2.8
309.24500	1.5
317.24667	2.4
333.24258	5.3
335.25739	14.8
337.27286	8.6
355.30255	1.5
468.14621	1.1
489.35910	1.3
503.36996	1.4
521.43524	5.0
529.38959	2.6
539.44781	4.7
540.36987	1.2
595.47131	11.5
613.48230	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.5
56.96292	2.6
56.96564	39.0
56.96848	2.4
57.03431	1.4
57.71091	1.2
67.05504	5.3
69.07066	1.4
71.33783	1.6
71.34106	1.9
71.95260	3.1
72.96036	1.8
74.97614	1.8
79.05492	3.7
81.03418	1.7
81.07068	5.8
83.05006	2.0
83.08589	1.3
84.96017	3.1
85.02905	1.4
85.47206	1.1
86.53460	1.2
91.05492	4.0
93.07059	3.6
95.04987	3.4
95.08598	3.1
96.40022	1.3
97.06566	1.6
97.10166	1.4
98.97585	51.4
105.07027	4.9
107.08607	2.2
109.10197	2.0
112.99139	11.6
116.98622	50.8
119.08574	1.6
121.10114	1.4
123.11735	1.4
128.98610	6.5
131.00172	33.5
131.08537	1.7
133.10135	2.3
134.99666	36.1
140.00208	4.5
140.98613	1.3
143.00203	5.4
145.10190	1.9
146.99643	9.1
147.11690	1.6
149.01216	55.5
153.00726	4.1
154.01790	3.4
155.00201	1.3
158.01244	4.7
158.99654	24.2
159.00876	2.1
159.11652	1.6
161.01244	17.0
165.00751	2.3
167.02275	14.7
170.99657	4.0
172.02721	5.6
173.01207	5.9
174.87483	1.3
175.02733	2.0
177.00714	56.1
179.02263	3.8
184.02933	1.4
185.01289	3.1
189.00717	5.1
191.02231	9.0
193.12273	1.9
195.01807	8.0
199.02780	9.9
200.02386	9.1
201.00758	1.8
203.02293	8.6
203.05887	1.3
205.03793	1.9
207.01865	1.3
209.01254	2.8
211.13380	1.4
214.03925	1.4
215.02316	4.7
217.03825	7.5
219.01772	11.5
226.03825	1.8
227.02249	5.8
233.03352	4.1
237.02727	8.6
240.05516	1.8
245.10744	2.3
255.03886	2.2
261.22672	1.4
275.04358	16.9
285.16980	1.5
293.05420	69.6
294.49655	1.1
309.04941	1.7
311.06537	13.7
316.07111	8.9
317.17871	100.0
318.18292	1.9
334.08035	3.5
335.18909	54.1
358.20532	15.4
359.18811	1.6
377.19928	9.3
391.21664	4.7
403.21515	2.9
497.24081	5.4
553.26831	66.6
602.47449	1.4
613.31226	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93729	0.6
52.90640	0.6
53.03945	1.3
55.05513	11.4
57.03432	2.8
57.07073	2.4
65.03947	1.7
67.05505	26.7
69.07067	11.1
70.17548	0.7
70.91605	2.3
71.04998	1.4
71.08624	0.7
79.05494	23.0
81.07061	26.5
83.04977	1.0
83.08614	5.6
91.04903	0.7
91.05481	18.1
93.07043	23.7
95.04974	2.0
95.08606	24.1
97.06549	1.4
97.10177	2.8
99.08081	1.2
103.05453	0.8
105.07030	19.1
107.08598	14.8
109.06524	0.8
109.10152	9.6
111.08034	0.8
111.11724	1.3
115.05473	0.9
117.07019	7.4
117.39694	0.6
119.08584	17.8
121.09331	0.9
121.10159	11.3
123.11698	3.8
125.09579	1.1
128.06201	1.6
129.07004	7.4
131.07619	0.8
131.08577	14.7
133.10126	13.4
135.11690	8.4
137.09627	1.1
137.13289	1.9
141.07002	1.5
142.07758	1.0
143.08565	7.5
144.09373	0.9
145.10129	13.9
147.11696	13.0
149.13295	4.0
154.07854	0.8
155.08566	3.3
157.10136	7.9
158.10941	0.6
159.11691	12.6
161.13271	8.6
163.14848	2.7
167.08546	1.3
169.10136	4.0
171.11674	9.2
173.13252	9.1
175.11295	0.9
175.14861	4.6
177.12708	0.7
181.10185	1.8
183.11702	4.7
185.13280	6.8
187.14825	5.4
189.12697	0.7
189.16461	1.6
191.17914	0.7
195.11731	2.4
197.13246	4.4
199.13287	1.0
199.14793	4.2
201.16461	2.3
203.14243	0.7
203.18054	1.0
209.13252	1.8
211.14830	3.1
213.16443	3.1
215.17947	1.8
223.14871	1.4
225.16420	1.0
227.16229	1.3
227.18150	1.2
229.19493	1.1
231.21101	1.7
239.18037	2.0
241.19524	7.3
243.21199	2.0
255.21230	0.9
257.18994	4.0
259.20572	15.3
261.22281	3.2
275.20172	0.9
277.21683	0.9
287.23685	0.8
299.23749	1.5
313.25302	1.4
315.23282	1.0
333.24210	8.2
335.25851	17.5
337.27402	1.3
341.28513	0.8
353.28525	1.2
355.26538	0.9
367.30112	1.0
379.29837	0.7
381.31262	0.8
423.32849	0.8
424.26611	0.7
449.33917	1.3
487.34125	0.8
489.35953	0.7
501.41467	1.1
519.42072	5.0
527.37476	0.9
530.70197	0.8
537.42896	3.5
541.38727	1.9
542.39514	1.6
593.45551	7.5
611.46698	100.0
612.47119	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98603	0.8
53.03942	1.0
55.01870	1.1
55.05268	1.1
55.05515	14.9
57.03430	3.1
57.07069	3.8
65.03916	1.2
67.05506	27.6
69.07069	13.2
70.86370	1.5
71.04981	1.0
71.08607	1.9
79.05495	19.4
81.07056	26.6
83.05006	1.6
83.08611	8.8
85.06567	1.0
91.05477	15.8
93.07047	22.6
93.07629	1.4
95.04973	2.9
95.08611	24.1
97.06527	2.8
97.10160	4.6
99.08102	1.7
105.07028	17.5
107.08595	12.9
109.06557	1.6
109.10153	11.0
111.08067	1.6
111.11688	0.9
115.52525	0.9
117.07019	10.1
119.08585	17.8
121.10155	9.6
123.08108	1.8
123.11732	2.8
125.09624	1.6
128.06226	1.5
129.06995	8.4
131.08563	16.2
133.10129	12.0
135.11673	5.6
137.09645	1.3
137.13268	1.1
141.06992	3.2
142.07799	2.3
143.08569	15.0
144.09363	1.3
145.10120	14.6
147.11650	5.7
149.13286	2.1
154.07872	0.9
155.08557	7.5
157.10124	12.4
159.11690	11.1
161.13286	3.4
163.14798	1.9
166.06383	1.1
166.07800	1.0
167.08586	3.3
169.10129	10.5
171.11679	10.1
173.13266	7.8
175.14851	2.8
177.16406	1.5
181.10062	4.1
183.11682	9.2
185.13249	8.5
187.14789	5.0
189.16397	2.5
195.11656	4.3
197.13277	7.6
199.13155	1.4
199.14774	6.5
201.16437	2.5
203.17941	1.0
209.13333	2.8
211.14847	4.1
213.16454	4.9
215.18083	2.9
217.19476	1.1
221.13237	1.1
223.14853	2.3
225.16379	5.0
227.17982	3.1
229.19482	1.8
235.14804	1.3
237.16356	1.7
239.18022	2.6
241.19704	2.4
243.21036	2.3
249.16267	1.4
251.18008	2.7
253.19540	1.8
255.21150	1.3
257.19012	1.4
259.20639	1.2
267.21039	1.0
269.19196	1.4
275.20331	1.1
287.23895	1.0
297.18845	0.9
309.22299	1.5
311.23566	1.1
329.24936	1.2
353.28323	1.6
367.30112	1.5
369.22540	1.0
389.27682	1.1
395.33273	1.0
411.32928	1.0
421.30609	1.0
449.34436	1.2
519.41956	11.4
537.43140	6.3
541.39313	1.2
593.45435	8.4
611.46698	100.0
612.46796	1.9
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
50.83630	1.1
51.02369	1.4
53.03942	2.5
55.01878	1.8
55.05515	18.1
57.03432	5.5
57.07075	4.9
65.03939	3.0
67.05505	48.0
68.05846	1.6
69.06784	1.4
69.07077	16.3
69.43682	11.7
71.04985	1.5
71.08609	1.5
79.05493	40.0
80.05833	1.9
81.03407	1.5
81.07056	54.9
82.07384	1.7
83.04977	2.0
83.08624	9.6
84.74105	1.2
85.06541	2.6
91.05488	32.5
91.06025	2.4
92.05830	1.6
93.07048	38.7
95.04980	5.3
95.08613	40.6
97.06538	3.9
97.10175	3.9
98.21516	2.2
99.08050	1.2
100.35596	1.1
105.07039	31.2
107.08592	22.6
109.10144	16.1
109.66608	1.2
111.08079	1.9
116.47011	1.2
117.07017	13.6
119.08575	26.0
121.06536	1.4
121.10141	21.4
123.08121	1.4
123.11722	5.7
125.09652	1.8
127.19097	1.2
128.06255	1.7
129.07008	10.1
131.08580	24.3
133.10130	23.2
135.11696	11.3
141.06969	2.3
142.07808	1.8
143.08568	12.9
145.10126	22.7
147.11703	16.9
149.13264	7.7
155.08582	6.8
157.10126	14.6
159.11688	19.7
161.13278	10.4
163.11169	1.3
163.14888	3.3
169.10153	7.2
171.11708	12.7
172.12280	1.5
173.13252	13.0
175.14836	7.0
181.10133	2.7
183.11646	6.8
185.13208	11.1
187.14824	7.6
189.16501	2.5
195.11717	2.9
197.13313	6.7
199.14799	8.1
201.16441	3.5
209.13318	3.2
211.14857	5.3
213.16437	3.4
215.17920	1.9
225.16464	3.6
227.18048	2.3
229.19380	1.4
231.21069	2.0
237.16389	2.0
239.17899	1.9
241.19557	9.7
255.21457	1.6
257.19034	2.4
259.20563	13.8
261.22232	3.4
291.19510	1.9
297.22275	1.4
313.25092	1.3
325.25336	2.5
333.24280	9.1
335.25800	17.4
353.10815	1.2
367.30365	1.8
474.32581	1.4
519.42120	6.3
527.37079	2.0
537.43054	3.6
593.45569	5.5
611.46667	100.0
612.47137	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
53.63167	1.5
55.01868	2.3
55.05304	1.3
55.05514	16.1
55.29789	1.3
57.03419	4.0
57.07070	2.2
65.03949	2.2
67.05505	38.9
69.06765	1.4
69.07076	13.8
71.04977	2.0
72.66348	1.0
75.59646	1.2
77.03896	1.2
78.85674	1.2
79.05489	28.7
81.06580	2.3
81.07056	38.5
83.04958	1.9
83.08618	6.9
85.06546	1.6
91.05476	22.3
93.07040	29.4
95.04964	3.9
95.08601	32.4
97.06534	3.6
97.10181	3.2
98.21508	3.3
99.08086	1.4
99.52508	1.1
105.07027	24.2
107.08596	17.4
109.10149	14.7
117.07011	11.8
119.08582	22.6
121.10132	12.9
123.11701	4.1
128.06250	2.5
129.07024	8.0
130.07762	1.5
131.08571	19.0
133.10132	18.6
135.11713	8.3
141.06985	2.2
142.07787	1.8
143.08565	10.0
145.10121	20.4
147.11688	15.3
149.09709	1.7
149.13263	5.9
155.08580	4.1
157.10103	11.0
159.11687	14.9
161.13257	12.2
163.11201	1.3
163.14792	3.1
169.10173	4.7
171.11681	11.1
173.13257	13.1
175.14827	5.7
177.12784	1.4
181.10207	2.0
183.11737	4.5
185.13283	11.3
187.14865	5.6
189.16385	1.7
190.79623	1.2
195.11774	3.0
197.13260	3.6
199.14870	5.5
201.16446	3.5
209.13365	2.1
211.14883	3.2
213.16393	3.9
215.17970	1.7
223.15016	1.9
227.18108	2.2
231.21072	1.6
239.17992	2.5
241.19617	6.9
257.19055	3.2
259.20569	13.2
261.22205	2.7
275.20157	1.7
276.20566	1.2
296.54129	1.4
311.23785	1.8
333.24249	8.6
335.25760	16.4
397.86414	1.3
419.32834	1.3
437.34250	1.5
503.37921	1.6
519.41797	6.6
537.42883	4.2
593.45508	7.7
611.46704	100.0
612.47327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1603
Annotation	Lucenin 2
Peak:m/z	Relative Intensity
55.01871	1.2
57.03422	2.8
61.02917	1.5
69.58728	2.9
69.59141	6.1
80.14528	1.0
81.03411	2.3
85.02899	4.8
91.05516	1.1
92.14406	1.1
93.03392	2.7
97.02885	2.5
102.28831	1.1
103.03939	1.4
107.04964	2.5
109.02890	2.1
117.03347	1.3
119.04942	1.1
121.02855	1.5
135.04405	9.7
137.02333	28.0
137.03394	1.4
147.04352	1.4
159.04382	1.6
161.02313	4.4
161.05984	1.7
163.03926	2.8
165.01836	1.9
175.03868	1.4
177.01796	3.1
177.05586	1.2
179.03371	5.3
181.04889	1.3
187.03870	1.6
189.01807	6.7
189.05469	1.7
191.03316	6.4
194.02017	1.4
195.02870	8.3
199.03914	1.6
201.05508	3.0
203.03377	10.8
205.04941	2.7
207.02904	7.9
213.05325	1.6
215.03329	2.5
217.04982	4.7
219.02873	6.6
219.06456	1.6
221.04420	5.1
227.03436	1.6
229.05008	3.6
233.04300	2.5
243.02856	2.2
245.04517	2.1
255.02780	2.5
257.04517	2.4
268.07217	1.3
283.05884	3.7
284.06778	5.4
285.04001	3.8
287.05307	6.3
295.05997	5.3
297.07553	5.1
299.05438	7.4
300.06180	3.1
307.05814	1.9
308.06738	2.1
309.07584	3.4
310.04745	17.4
311.05484	71.9
312.06116	7.2
313.06989	8.6
321.07623	1.8
322.08203	1.6
323.05499	44.6
324.06219	15.2
325.03387	2.0
325.06958	13.0
329.06650	5.6
333.07486	2.3
334.08035	1.7
335.05585	7.1
336.06177	2.4
337.07010	28.7
338.07800	7.8
339.04953	2.2
339.08441	2.1
341.06543	91.4
342.06912	1.6
347.05396	1.7
349.07104	9.5
351.04865	2.1
351.08615	16.1
352.05701	3.1
353.06531	59.5
354.06781	2.1
355.07999	2.8
361.07016	3.0
362.07758	1.7
363.08682	12.0
365.06488	29.2
365.10767	1.9
367.03949	1.1
367.08130	22.0
369.05920	1.8
371.07654	20.7
373.07092	2.5
377.06424	16.9
377.10492	2.0
379.07980	4.8
381.09741	11.3
383.07724	4.8
389.06506	5.0
391.08157	9.6
395.07593	53.6
396.07758	1.3
401.06451	2.8
403.07919	1.8
405.09882	2.5
407.07605	31.7
409.09125	1.5
417.09766	2.0
419.07550	20.2
425.08652	47.2
431.07999	3.9
433.09033	3.2
437.08597	26.3
443.09717	43.9
449.08615	3.1
455.09714	28.2
461.09412	7.1
465.11566	1.8
473.10806	100.0
474.11011	2.5
479.09479	4.7
485.08707	1.9
491.11810	19.4
497.10742	27.7
503.09668	2.7
509.10553	4.1
515.11804	19.3
521.10797	7.9
527.11810	23.4
539.11816	26.9
540.12177	1.5
545.12982	7.1
557.04633	2.1
557.12891	30.0
575.13947	24.3
593.14948	9.3
611.15472	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01859	0.3
67.05518	0.2
68.99788	0.3
69.03406	0.4
70.06593	0.3
71.04984	0.3
71.06096	0.2
76.02232	0.2
81.03420	0.2
81.07034	0.1
85.02910	1.0
86.09691	0.2
95.08611	0.5
97.02916	0.3
109.02862	0.2
111.00803	0.1
116.98598	0.2
117.03314	0.1
119.08543	0.2
123.08105	0.2
126.26807	0.1
131.00021	0.1
133.48160	0.1
135.03725	0.1
135.04434	1.2
137.02335	0.6
143.05641	0.5
147.04379	0.2
149.09636	0.3
153.01831	2.8
161.02344	0.4
167.91449	0.1
171.02896	0.4
175.03931	0.2
177.00653	0.1
203.03397	0.2
207.06509	0.2
207.13820	0.4
213.05560	0.2
241.04868	0.4
250.30437	0.2
259.06058	0.2
269.04382	0.3
272.25485	0.1
287.05481	100.0
288.05798	1.5
295.05963	0.1
297.07336	0.2
299.05515	1.2
300.06070	0.2
303.04959	2.7
311.05417	0.4
323.05350	0.2
325.06891	0.2
329.06506	1.7
337.06790	0.2
339.08795	0.2
341.06421	0.2
353.06711	0.6
365.06616	0.2
377.06705	0.2
383.07709	0.3
395.07590	0.3
413.08560	0.4
431.09625	0.5
443.09494	0.2
448.14899	0.1
449.10797	15.5
450.10950	0.2
465.10083	0.4
497.11600	0.1
539.12134	0.1
611.16168	0.7
611.24780	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	611.1605
Annotation	Cyanin
Peak:m/z	Relative Intensity
51.36678	0.1
57.03416	0.1
61.02914	0.2
62.54510	0.1
67.01864	0.3
68.99798	0.4
69.03411	0.5
69.36565	0.4
69.36993	0.6
81.03403	0.4
85.02905	1.7
89.03947	0.1
97.02887	0.6
98.21527	0.2
99.04448	0.1
109.02865	0.3
117.03402	0.1
127.03882	0.6
129.01854	0.2
135.04407	1.2
137.02345	0.4
137.03366	0.1
139.92264	0.1
143.05640	0.3
145.02841	0.3
145.04999	0.3
153.01825	3.3
161.02391	0.5
171.02905	0.7
177.05487	0.5
179.03374	0.3
187.10869	0.1
207.06529	0.2
213.05489	0.2
219.06500	0.1
241.04922	0.4
269.04456	0.3
286.04605	0.1
287.05484	100.0
288.05817	1.1
299.05548	0.5
300.06290	0.1
303.04962	0.9
311.05530	0.3
329.06461	0.8
341.06506	0.1
353.06345	0.1
413.08844	0.1
431.09766	0.2
449.10785	9.6
450.10797	0.2
585.85150	0.1
611.15765	0.1
611.28723	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	611.1601
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03938	0.4
55.01864	0.4
57.03437	2.2
61.02906	0.4
65.23592	0.3
68.99789	0.6
69.03413	1.2
71.04996	11.1
73.02921	0.5
81.03426	0.8
83.04959	0.5
85.02908	14.6
93.03406	0.4
97.02883	1.0
101.26093	0.4
111.00800	1.2
111.04445	0.5
120.34231	0.3
121.02889	0.9
127.03899	1.1
129.05495	3.7
135.04456	0.5
137.02370	3.0
145.04948	1.0
147.06496	0.9
149.02312	0.4
153.01826	3.0
163.03883	0.5
165.01898	1.6
173.05939	0.4
183.02975	0.6
192.38075	0.4
201.05479	1.6
208.50978	0.4
213.38849	0.3
220.64406	0.3
229.05025	4.2
247.06061	0.6
249.04506	0.3
257.04492	2.2
271.32574	0.3
274.04739	0.8
285.03888	0.7
298.50024	0.4
303.05002	100.0
304.05658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03445	2.1
60.62488	0.2
61.02656	0.2
61.02933	1.5
63.25751	0.2
69.03422	0.5
69.60055	1.2
69.60474	0.4
71.04996	10.4
73.02917	0.7
75.04468	0.6
83.04985	0.5
85.02908	13.7
87.04459	0.2
91.03957	1.2
93.03424	0.2
97.02901	1.0
99.04462	0.3
109.02898	0.6
111.00800	0.7
111.04459	0.4
121.02863	0.8
127.03910	0.6
129.05470	3.6
137.02350	2.7
145.04979	0.3
147.06487	1.1
149.02272	0.3
153.01828	2.7
161.06023	0.4
163.03941	0.5
165.01816	1.5
166.02664	0.3
173.05994	0.3
177.05469	0.3
183.02888	0.6
183.04410	0.2
195.02939	0.2
201.05424	1.5
207.06520	0.3
229.02914	0.2
229.04994	3.5
239.03680	0.2
247.06052	0.5
257.04492	2.4
274.04749	0.6
285.04004	1.1
303.04999	100.0
304.05295	1.1
315.05005	0.7
321.02484	0.2
345.06024	0.5
369.06110	0.4
449.10632	0.5
465.10544	0.9
490.97678	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	611.1398
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
56.96561	3.9
57.03378	2.7
61.02922	2.7
65.03957	3.0
68.99786	7.1
69.03426	4.8
69.38008	2.1
70.06571	6.7
71.26357	5.6
72.93254	2.2
79.05460	3.5
81.03407	5.1
84.04470	2.2
84.08119	2.2
85.02894	8.1
86.06041	2.4
89.03902	3.7
89.13587	2.9
91.05466	5.1
93.03388	2.8
95.04975	5.9
97.02866	4.4
99.04430	2.6
107.04950	3.7
109.02854	7.0
109.47253	2.0
109.79736	2.3
110.06057	3.5
111.00848	3.1
111.04436	5.4
115.05442	2.4
116.98593	3.4
117.03376	5.5
119.04954	5.9
121.02817	6.6
123.04434	71.5
126.03142	3.2
127.03910	26.1
130.04974	2.7
135.04410	24.0
137.02385	11.9
137.06007	2.8
139.03915	33.5
143.05656	19.1
145.02843	5.3
145.06531	2.4
147.04410	23.8
147.07697	3.0
149.02339	6.0
149.05940	2.7
151.03882	9.5
152.04660	2.7
155.03455	3.1
161.01320	2.7
162.03093	3.3
163.03926	55.0
164.04344	3.8
165.05452	6.1
167.03421	6.9
171.04359	2.6
175.03902	6.9
177.05513	7.5
179.03394	7.3
181.04883	2.7
183.04420	2.9
184.94438	2.2
185.05965	4.5
187.03850	3.4
189.01822	2.9
189.05420	3.4
191.03407	7.3
197.06073	3.1
201.05490	6.7
203.03412	9.8
205.04970	2.9
207.06549	6.2
213.05595	3.2
215.03441	5.3
217.04869	3.3
223.02382	5.9
229.04887	8.7
231.02948	3.9
231.06628	4.0
233.04494	3.2
237.02693	3.5
241.04897	3.7
245.04449	12.1
247.06041	15.1
257.04385	12.1
258.05130	2.8
259.06006	4.9
261.04013	4.3
267.15952	2.6
269.04428	2.7
270.05182	3.0
271.06012	22.8
273.03937	5.0
275.05579	7.0
283.06073	5.1
285.03738	4.0
286.04498	3.0
287.05521	100.0
288.06265	6.7
289.03760	4.0
289.07028	12.6
290.04144	3.3
291.05264	3.1
295.06146	3.0
299.05545	13.7
301.03458	3.7
301.06967	4.3
303.05048	24.8
310.04907	3.0
311.05591	11.6
317.06348	4.1
323.05530	9.0
323.68848	2.5
325.06851	3.6
329.06528	8.8
337.06699	3.6
341.06610	12.4
349.07175	3.9
351.08731	3.5
353.06497	10.4
365.06799	4.0
367.07950	5.3
377.06314	4.8
383.07852	3.0
389.06503	3.2
391.07977	6.5
395.07632	9.8
407.07623	6.2
408.08060	3.2
409.09143	7.6
423.07523	3.9
425.08704	9.2
431.09406	3.1
443.09793	5.6
449.10898	12.8
449.18878	2.4
455.09836	3.9
473.10822	11.8
539.11389	3.0
575.13965	2.9
611.20886	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	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.9
53.03936	4.1
55.01870	7.9
55.05265	1.9
55.05510	26.5
57.03434	4.9
57.07064	3.0
59.04972	1.2
65.03936	3.5
67.05505	60.8
69.03417	1.5
69.07069	29.3
70.86381	3.2
71.04993	3.3
79.05492	60.1
81.03413	2.4
81.07054	56.4
83.04986	5.9
83.08619	9.9
85.06571	2.5
91.04897	2.1
91.05479	56.8
93.07041	62.4
95.01286	2.5
95.04965	15.3
95.08605	37.7
97.06530	13.9
97.10156	6.2
99.08135	1.4
103.05447	1.2
105.04509	1.9
105.07027	46.2
107.04946	9.6
107.08593	37.1
109.06534	4.6
109.10153	18.9
111.08092	3.1
113.09664	2.8
115.05494	2.1
116.06216	1.1
116.81750	1.1
117.07011	18.0
119.08580	30.1
121.06501	2.4
121.10142	20.7
123.08064	3.1
123.11684	4.2
125.07835	1.0
125.09630	4.4
128.06248	2.1
129.07008	9.7
129.45738	1.0
130.07813	2.7
131.08566	24.7
132.84680	1.0
133.06474	1.0
133.10130	24.6
135.08084	3.3
135.11702	12.7
137.09576	1.1
139.11211	1.2
141.06989	2.7
142.07751	1.6
142.15607	1.0
143.08566	11.1
145.10115	40.9
147.11670	17.9
147.12793	1.5
149.09599	10.3
149.13280	5.1
151.11140	1.6
155.08588	6.4
157.10138	8.0
159.11711	20.0
161.09613	1.4
161.13243	8.8
163.11197	10.8
163.14883	2.1
164.17786	1.1
165.09029	1.1
167.08595	2.8
169.10115	9.2
171.11664	11.3
172.15483	1.2
173.11876	2.1
173.13231	9.7
175.14862	2.4
177.12793	2.9
179.14317	8.9
181.10136	3.0
183.11687	8.3
185.13272	5.2
187.13358	1.2
187.14845	4.0
189.11200	1.5
191.14281	1.6
193.10162	1.5
195.11725	3.3
197.13292	6.8
199.14859	4.1
201.16380	2.3
205.12387	1.2
209.13174	2.4
211.14975	2.2
213.16344	2.4
215.14381	1.7
219.17526	1.2
223.14870	2.6
225.16409	2.0
229.19551	3.0
237.16460	1.7
239.17926	8.3
241.19543	1.4
247.20605	1.5
257.18982	18.3
259.20593	1.2
261.22208	4.3
275.20065	58.2
290.79330	1.1
293.21124	4.9
301.07159	4.1
313.21713	1.2
331.22693	5.0
333.24338	1.2
335.25821	10.6
346.80826	1.0
349.23773	1.2
425.30518	1.0
517.40588	4.1
535.41522	2.4
553.42316	1.2
591.43994	3.4
609.26971	3.9
609.45087	100.0
610.45294	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	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01866	1.6
55.05262	1.2
55.05511	16.9
57.03439	5.0
57.07065	2.2
58.39284	0.7
65.03952	1.6
66.42952	0.7
67.05505	26.6
69.07069	13.5
71.04986	2.1
71.08633	1.2
79.05056	1.2
79.05492	16.6
81.07056	24.8
83.05002	1.0
83.08617	7.5
85.06544	1.7
91.05479	14.9
93.07040	19.3
95.04969	2.9
95.08610	24.7
97.06555	3.6
97.07081	0.7
97.10178	4.1
98.21502	2.2
105.07029	16.2
107.08590	13.3
109.06512	1.5
109.10153	11.3
111.08058	0.9
115.05432	1.6
117.07025	9.3
119.08575	14.6
119.09357	1.2
121.10158	7.9
123.08072	1.8
123.11716	2.6
125.09637	2.4
128.06212	3.1
129.07004	12.5
130.07668	0.8
131.08569	15.0
133.10138	12.5
135.11693	5.2
137.09567	0.8
141.07022	6.2
142.07787	2.8
143.08559	16.9
145.10117	16.5
147.11690	7.7
149.09586	1.1
149.13243	3.1
153.06992	2.5
154.07776	1.7
155.08557	14.3
156.09323	2.4
157.10126	17.7
159.11690	12.0
161.13278	3.5
165.07014	1.6
166.07796	1.1
167.08575	5.3
168.09270	2.0
169.10114	17.8
171.11671	14.5
172.12335	0.7
173.13246	5.8
179.08566	2.7
181.10115	10.1
182.10861	1.8
183.11693	15.2
183.13231	1.3
184.12415	0.8
185.13239	10.0
187.14815	4.4
189.16371	1.0
193.10167	3.4
194.10898	1.1
195.11671	11.1
196.12476	0.9
197.13258	12.5
199.14867	7.5
201.16479	2.6
205.10051	1.2
207.11673	4.5
209.13264	10.4
211.14827	11.1
213.16443	4.2
215.17917	1.7
219.11740	1.2
221.13249	3.6
223.14815	7.9
225.16412	5.8
227.18059	3.9
229.19374	0.9
235.14824	3.2
237.16446	4.9
239.17969	4.5
241.19574	2.3
245.19150	0.8
249.16379	3.0
251.17978	3.3
253.19664	1.3
255.17461	1.2
255.21185	0.9
261.22833	0.8
263.18024	1.7
265.19553	2.3
267.21182	0.7
269.18875	0.9
271.20340	0.7
275.17709	0.9
275.20273	0.9
277.19672	0.8
279.21219	1.3
281.22833	1.1
283.20267	0.9
293.22302	0.9
295.20401	0.9
297.21967	1.0
301.06924	1.0
301.21631	0.8
309.21857	1.0
311.23718	0.9
321.21991	1.8
323.23663	2.1
335.23654	1.4
337.25314	2.3
339.23050	1.2
339.26953	1.0
341.24710	1.0
349.25266	1.0
349.29645	0.8
351.23029	1.0
351.26883	2.6
353.24597	1.1
357.25562	0.9
365.28210	1.9
375.26495	1.0
377.28442	1.1
379.26041	1.3
379.30386	1.4
391.29858	1.8
393.31665	1.3
407.29343	1.6
419.33350	1.2
431.32959	0.8
433.30261	1.1
435.32635	1.0
440.27554	0.7
447.32565	1.1
499.39404	2.9
517.40338	16.4
517.47858	1.0
535.41656	8.6
539.37366	1.2
541.38788	0.9
553.42340	1.2
555.41577	1.3
565.42603	0.8
573.42944	2.7
591.44165	13.9
609.45105	100.0
610.45349	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.2
53.03940	4.3
55.01871	6.2
55.05507	15.6
57.03413	1.4
57.07049	1.0
65.03943	4.3
67.05502	45.5
69.03399	1.3
69.07067	28.1
69.45847	1.6
69.46252	5.2
71.04971	1.4
77.03865	1.0
79.05489	42.8
81.03416	5.2
81.07053	51.8
83.04964	6.2
83.08215	0.7
83.08607	7.4
85.06497	2.2
86.10384	0.7
91.05473	48.3
93.07041	44.1
94.25141	0.6
95.01326	9.7
95.04971	11.5
95.08604	33.2
97.06527	14.6
97.10130	2.3
99.08054	1.1
103.05438	1.5
105.04487	2.0
105.07026	63.0
107.04949	13.7
107.08591	20.0
109.06479	2.9
109.10149	10.2
111.08028	2.5
113.09643	1.1
115.05442	1.8
117.06232	1.1
117.07006	14.4
119.08577	33.8
121.06476	2.3
121.09313	1.0
121.10136	15.1
123.04444	1.0
123.08032	2.8
123.11649	2.7
125.09599	2.0
129.06972	2.4
130.07741	0.9
131.08559	22.4
133.06447	1.1
133.10126	38.5
135.07993	2.8
135.11678	7.9
137.09579	1.2
139.07513	1.2
141.06934	0.8
143.08609	3.6
143.09531	0.7
144.28433	0.7
145.06427	1.3
145.09058	1.0
145.10120	18.4
147.07996	1.0
147.11687	15.3
149.09627	5.4
149.13297	5.2
151.11147	2.2
155.08516	1.9
157.10132	4.0
159.08023	1.2
159.11681	12.3
161.13277	8.0
163.11137	3.0
163.14796	2.7
165.09062	1.5
165.12741	0.8
169.10054	2.2
171.11743	3.6
173.09616	0.8
173.13274	4.5
175.11224	1.2
177.12752	5.2
179.14310	21.8
183.11734	3.6
185.13289	1.9
187.11105	3.5
187.14810	1.4
195.13708	1.6
197.13220	2.7
201.16382	0.9
205.12212	1.0
207.13698	1.0
208.87643	0.8
215.04510	0.7
215.14256	0.8
215.17921	0.9
219.13634	1.1
219.17426	2.9
229.19540	2.6
239.17932	2.9
241.14230	1.5
247.20581	2.7
257.19012	8.4
261.22104	1.4
275.20047	100.0
276.20395	1.2
293.21173	6.6
293.94714	0.8
317.24734	0.7
328.55161	0.6
335.25888	1.6
349.23740	2.8
475.72745	0.7
516.11023	0.9
540.88184	0.7
557.09198	0.7
562.14160	0.7
609.45099	62.0
610.45697	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01876	5.8
55.05512	22.5
57.03427	3.9
57.07061	1.4
57.13499	0.9
65.03940	4.5
65.53886	1.0
67.05506	60.3
69.03423	1.0
69.07070	25.6
71.04981	2.9
77.03915	1.1
79.05495	58.7
81.03391	2.2
81.07058	55.3
83.04984	4.0
83.08622	9.5
85.06532	2.1
91.04897	1.5
91.05482	48.2
93.07046	57.6
95.01323	1.5
95.04964	11.1
95.08605	40.9
97.06528	11.5
97.10171	3.6
99.08119	1.1
103.05474	2.4
105.04553	1.2
105.07034	44.1
107.04943	8.0
107.08598	35.0
109.06528	5.6
109.10159	17.6
111.08073	2.1
113.09651	3.6
115.05457	3.6
116.06237	1.0
117.07021	22.0
119.08580	32.4
121.06502	2.5
121.09328	1.6
121.10146	22.1
123.04491	1.0
123.08071	3.7
123.11703	3.4
125.09636	3.4
128.06235	2.7
129.07027	9.5
130.07796	2.6
131.08577	27.1
133.10130	25.3
135.08046	2.7
135.11700	14.1
137.09605	1.6
137.13310	1.5
141.07010	4.1
142.07776	2.6
143.08572	11.2
144.09383	1.2
145.10126	40.7
147.08026	1.5
147.11685	19.1
149.09630	10.0
149.13275	5.1
151.11150	1.2
154.07820	1.2
155.07416	0.9
155.08572	6.0
156.09320	1.2
157.10127	12.9
159.11703	21.3
161.09662	1.6
161.13248	8.9
163.11195	7.9
163.14809	2.4
167.08569	2.6
169.10144	8.1
171.11694	10.7
173.11896	1.7
173.13264	10.6
175.11209	2.1
175.14824	3.4
177.12799	2.3
179.14359	5.8
181.10129	2.8
182.10953	1.2
183.11693	11.8
185.13278	7.6
187.11224	1.9
187.14848	3.8
189.11156	2.0
193.10240	1.1
194.75526	0.9
195.11702	3.8
197.13306	5.9
199.14838	3.4
201.12735	1.0
201.16408	2.6
203.14400	1.5
207.11710	1.5
209.13290	2.7
211.14757	4.2
213.16438	3.1
215.14304	1.2
215.17990	2.2
219.17496	2.4
221.13324	1.3
223.14874	0.9
225.16428	2.0
227.18047	1.7
229.19519	4.6
237.16406	1.9
239.17984	8.1
243.21140	1.9
247.20743	1.4
253.19557	1.1
257.18997	21.2
259.20609	2.4
261.22214	4.4
275.20062	47.3
276.20422	1.4
293.20978	5.2
313.21658	1.6
317.24759	1.5
321.21991	1.2
331.22672	6.3
333.24561	2.1
335.25821	11.1
349.23712	1.3
349.33472	1.0
351.26688	1.1
405.20865	1.2
407.22693	1.3
415.18936	1.3
421.23776	2.4
447.17926	1.1
461.19458	1.3
475.21347	2.1
476.21921	2.0
477.22736	1.6
485.23520	2.5
499.21909	1.2
503.24579	1.8
513.10480	1.0
515.24152	2.2
517.40381	3.4
531.23816	5.6
532.24615	1.0
535.41266	1.6
550.25238	1.5
553.42828	1.3
559.23633	2.4
591.25952	9.5
591.44391	4.3
592.26202	1.4
609.27045	27.7
609.45093	100.0
610.26917	4.7
610.45306	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	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
52.01694	0.4
53.03938	1.5
55.01855	1.5
55.05512	14.4
57.03436	3.8
57.07071	2.6
65.03936	1.2
67.05508	25.0
69.07070	12.5
71.04987	1.4
71.08649	0.5
77.03946	0.5
77.52353	0.4
79.05496	18.6
81.07058	27.1
83.04979	1.7
83.08624	6.7
85.06542	1.5
85.98331	0.5
91.05481	16.2
93.07047	19.2
95.04975	3.6
95.08607	21.3
97.06536	2.8
97.10170	4.0
99.08103	0.8
103.05453	0.8
105.07034	16.7
107.04974	1.0
107.08596	11.8
109.06512	1.4
109.09393	0.5
109.10153	9.0
109.10844	0.8
111.08092	1.8
115.05460	1.4
117.07021	9.5
119.08583	14.5
121.06526	0.5
121.10143	8.9
123.08073	1.1
123.11710	2.9
125.09605	2.0
127.07607	0.5
128.06218	3.2
129.05530	0.6
129.07011	9.1
130.07782	1.0
131.08568	14.6
133.10135	12.4
135.08066	0.9
135.11694	5.8
137.09648	0.8
137.13274	1.0
141.06989	5.8
142.07799	2.5
143.08560	14.4
144.09389	0.7
145.10132	15.9
146.00639	0.4
147.11694	7.3
149.09630	1.5
149.13280	3.1
151.11267	0.7
153.07034	1.7
154.07773	1.5
155.08557	12.2
156.09348	1.8
157.10138	14.1
158.10852	0.5
159.11693	10.9
161.13235	4.0
163.11179	0.7
163.14871	1.3
165.07018	1.4
166.07797	0.8
167.08597	5.3
168.09363	1.5
169.10136	16.4
170.10924	1.0
171.11682	12.2
173.13261	6.6
175.11128	0.5
175.14871	1.9
177.12723	0.7
179.08614	1.7
179.14330	0.8
180.09329	0.8
181.10117	10.3
182.10875	0.9
183.11700	16.7
185.13268	10.1
185.14876	0.7
187.14839	4.5
189.16377	1.3
191.08615	0.4
193.10173	3.0
194.10919	1.0
195.11707	9.4
196.12512	1.3
197.13277	11.9
199.13251	0.7
199.14842	5.5
201.12900	0.4
201.16386	1.9
203.17993	0.9
205.10193	1.2
205.15831	0.7
207.11758	3.2
208.12495	0.6
209.13245	8.2
210.13963	0.7
211.14841	7.8
213.14735	0.6
213.16454	4.5
215.17955	1.1
217.19743	0.6
219.11790	0.7
219.17474	0.7
221.13335	2.6
222.14041	0.8
223.14830	6.7
225.12846	0.6
225.16393	5.1
227.18141	3.1
229.19554	0.7
233.13168	0.9
235.14899	2.4
236.15530	0.6
237.16388	3.7
239.17853	4.1
241.19753	2.7
247.14949	1.0
249.16469	1.4
251.17960	2.9
253.15759	0.5
253.19637	2.3
257.18964	2.7
261.16333	0.7
261.22211	0.5
263.17984	1.4
265.19528	2.0
267.17508	0.7
267.21146	1.7
271.20639	0.6
275.20111	4.7
277.19516	1.1
279.21048	1.2
281.18900	0.8
281.22531	0.6
283.20554	0.8
285.22116	0.8
291.21014	0.6
293.22861	0.6
295.20792	0.7
297.22043	0.6
299.20139	1.1
307.20511	0.8
309.22131	1.2
311.23718	1.0
313.21573	1.5
313.25095	0.5
315.23206	0.6
321.22177	1.0
323.23801	1.7
325.21686	1.1
325.25409	1.0
327.23260	0.7
331.22656	1.2
335.26108	1.4
337.21591	1.0
337.25278	1.5
339.23245	1.0
339.26971	0.8
341.24628	0.7
347.23624	0.8
349.25323	1.1
351.26959	2.3
353.24664	1.0
355.26358	0.6
361.25226	0.7
363.26877	1.5
365.28485	1.8
367.26230	0.9
375.26877	0.6
377.28439	1.2
379.26071	1.0
379.30133	1.3
381.27835	0.5
383.29623	0.6
389.28055	1.0
391.30017	1.3
393.27386	0.8
393.32010	0.9
405.27106	0.5
405.31772	1.4
407.29099	1.0
409.30896	0.8
419.28732	0.6
423.32681	0.6
429.31299	1.0
433.31219	0.7
435.32211	0.9
439.32315	0.5
447.32672	1.7
449.34207	1.0
461.34000	1.0
473.33008	0.6
499.39767	2.3
501.35660	0.6
503.35446	0.6
517.40497	14.1
518.40198	0.5
521.36395	1.0
525.35852	0.7
535.41541	7.2
539.37323	1.5
553.42346	0.9
555.41724	1.0
573.43115	1.8
591.44153	15.8
592.43994	0.8
609.45142	100.0
610.45483	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01875	2.0
55.05262	1.1
55.05510	16.2
55.56860	0.8
57.03428	3.6
57.07053	1.3
65.03937	2.0
67.05504	35.2
67.05873	1.7
69.03428	1.0
69.07067	13.8
71.04981	1.2
71.11168	2.6
79.05058	1.8
79.05493	25.6
81.07056	29.4
83.04980	1.5
83.08614	5.6
85.06546	1.1
91.04902	0.9
91.05481	23.1
93.07048	24.2
95.04974	5.1
95.08607	24.5
97.06535	3.1
97.10172	3.0
105.07027	20.3
105.07681	1.8
107.04951	1.9
107.08596	16.7
108.63457	0.8
109.06527	0.8
109.10163	10.1
111.08044	1.5
111.79996	0.8
115.05482	1.5
117.07012	13.6
119.07794	1.5
119.08587	17.4
121.10139	10.8
123.08054	1.2
123.11705	2.3
125.09635	1.3
128.06239	3.0
129.06979	10.3
130.07823	1.4
131.08568	20.6
133.10121	12.8
135.08005	1.1
135.11673	7.3
137.13184	1.5
141.06993	6.3
142.07802	2.8
143.08566	14.4
144.09344	1.3
145.10130	21.7
147.11707	7.7
147.55374	0.8
149.09599	1.9
149.13286	2.4
150.79420	0.9
153.07066	1.8
154.07889	1.0
155.08543	10.0
156.09294	2.5
157.10127	13.2
159.11699	12.7
161.09627	1.4
161.13205	5.0
163.11249	1.6
165.06985	1.2
167.08568	5.6
168.09346	1.3
169.10143	16.6
171.11676	11.5
173.13286	9.0
175.14870	2.9
179.08597	2.7
180.09213	1.2
181.10123	5.9
182.10966	1.1
183.11702	14.7
185.13260	9.9
187.11186	0.9
187.14854	4.0
189.16403	1.7
193.10155	2.8
195.11684	9.2
197.13263	9.5
199.14809	6.1
201.16394	2.0
207.11707	2.1
208.12271	0.9
209.13245	6.7
211.14745	7.7
213.16431	4.0
215.17938	1.1
219.11629	1.1
221.13251	2.0
223.14835	6.1
225.16403	5.8
227.17999	3.0
229.19492	1.8
233.13249	1.2
235.14871	2.1
237.16379	3.1
239.18010	3.0
241.19601	1.0
244.96223	0.9
249.16362	1.2
251.18027	2.0
253.19548	1.4
257.19064	5.5
259.20688	1.2
263.17889	1.7
265.19528	1.8
267.21024	1.7
271.20728	1.2
275.20111	6.3
297.22165	1.4
309.22086	1.4
313.21405	0.9
321.22046	1.5
323.23611	2.5
331.22607	1.5
339.23114	1.2
349.25204	1.5
351.26825	2.2
363.27167	1.3
365.28427	2.1
379.30136	1.1
381.28223	1.3
421.30780	1.1
447.32648	2.2
461.33908	1.5
489.40997	1.0
517.40503	10.2
535.41571	5.8
539.37640	1.3
591.44086	8.7
609.45117	100.0
610.45221	3.7
619.45477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91295	2.9
53.03934	5.1
54.89497	3.4
55.01884	6.7
55.05515	28.3
56.92250	2.4
57.03442	5.7
57.07074	6.3
59.04994	4.5
65.03912	3.3
67.05508	35.6
68.99796	2.6
69.03436	16.3
69.07074	44.4
70.06570	3.6
71.04986	7.2
71.61234	5.5
73.02897	2.9
76.50446	2.3
79.05493	25.5
81.03407	12.8
81.07056	100.0
83.04973	5.6
83.08624	16.2
83.65234	2.7
84.08138	4.1
85.02898	23.0
85.06537	15.8
86.09715	4.3
87.00852	3.1
89.03907	4.3
91.05478	18.2
93.07047	44.2
95.04966	15.7
95.08608	79.9
97.02893	8.9
97.06516	13.0
97.10180	23.5
99.08070	4.5
103.03922	4.3
105.07024	27.6
107.04962	4.4
107.08595	39.7
109.02881	9.6
109.06493	4.2
109.10152	38.1
111.08085	11.8
111.11724	5.3
113.02257	2.7
115.05476	2.9
117.03391	11.2
117.06992	5.2
119.04916	7.3
119.08598	21.2
121.02831	5.5
121.06486	3.7
121.10133	34.8
123.04424	3.5
123.08098	4.0
123.11699	56.8
125.05971	3.5
125.09634	8.3
126.90282	2.9
127.03930	13.2
131.08525	5.6
133.10147	18.9
135.04393	4.9
135.11681	15.6
136.01537	3.6
137.02338	4.0
137.06020	8.5
137.09648	4.8
137.13260	11.5
139.11200	16.6
141.01839	7.8
143.05649	55.0
143.10640	4.9
145.02846	29.2
145.06458	5.6
145.10117	10.5
147.04367	6.7
147.11694	10.3
149.05992	7.2
149.09596	4.1
149.13266	38.8
151.03871	5.5
151.11189	4.4
153.12740	3.5
157.10164	5.3
157.12212	4.0
159.11707	10.2
161.13268	9.2
163.03893	9.0
163.07516	3.4
163.14822	9.0
165.05515	5.0
167.07089	25.5
173.13196	7.2
175.03911	7.3
175.14844	5.6
176.08330	2.8
177.05476	49.6
177.16414	5.7
178.05807	3.1
181.04968	7.4
185.13231	3.1
187.13309	3.0
187.14882	3.9
189.16344	5.2
191.06902	3.9
191.14328	4.8
193.04935	10.9
194.05746	3.3
195.17377	3.8
197.10371	7.7
199.15019	3.0
203.18048	4.4
207.06516	18.1
217.19498	2.8
221.04362	4.4
223.05933	3.3
239.05479	34.1
241.14334	10.4
243.15916	19.5
245.13869	4.8
255.15793	3.5
258.05334	6.3
259.15289	4.5
269.22693	3.3
271.06000	10.6
271.24002	3.6
283.05923	6.2
286.04651	14.6
287.05429	9.6
287.23837	14.0
293.24713	7.8
295.06036	4.0
301.07080	77.6
302.07428	4.4
305.24753	27.1
307.26398	6.3
313.06982	6.2
323.25763	9.3
361.09082	7.3
367.28531	23.3
379.28409	26.8
385.29517	6.4
397.29544	34.2
407.80762	3.1
415.30859	6.6
463.12170	8.7
577.20532	8.6
609.16119	6.4
609.25098	26.4
609.34784	3.8
621.04889	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28972	0.3
53.03954	0.3
69.03426	1.2
69.76742	0.9
69.77171	0.9
70.06601	2.1
81.03414	1.0
84.08113	0.3
85.02893	1.8
87.00847	0.3
87.06721	3.7
91.05466	0.5
97.02883	1.0
97.40186	0.3
109.02879	1.1
113.02248	0.2
119.04992	0.4
125.91108	0.3
126.02917	0.3
127.03937	1.8
141.01842	0.4
141.04079	1.2
143.05647	100.0
144.06012	0.3
147.04420	0.4
177.05464	0.3
185.06680	0.4
201.59283	0.2
207.06520	0.7
231.04945	0.4
270.05139	0.3
285.07736	0.5
301.07101	0.9
303.05118	0.6
305.10950	2.3
351.02240	0.3
373.09753	1.4
391.11249	0.3
433.12006	0.4
447.12643	0.5
499.13095	1.2
517.14111	1.5
522.72455	0.3
535.15192	4.1
609.22040	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13519	0.3
53.03942	0.8
55.01867	0.5
60.05657	0.4
67.05490	0.8
69.03418	1.1
69.07071	0.7
69.50941	1.2
69.51373	2.0
70.06580	1.2
79.05501	1.0
79.83136	0.4
80.05011	0.5
81.03406	1.8
81.05783	0.5
81.07063	0.9
83.04955	0.5
85.02899	1.2
86.09700	0.9
87.06731	3.6
87.40823	0.3
91.05489	1.5
93.07046	1.0
94.06554	0.6
95.04929	1.0
95.08561	0.4
96.08110	1.8
97.02920	0.6
97.52917	0.5
104.76404	0.4
105.07021	0.5
107.04942	0.7
107.08586	0.7
108.04448	0.4
109.02888	2.9
109.06570	0.5
109.10162	0.5
113.21051	0.4
119.04930	1.1
121.02882	0.4
121.06483	0.6
121.10188	0.5
122.06040	2.0
123.08082	0.8
124.07590	5.2
127.03915	0.8
131.08539	0.4
136.07574	17.1
137.05991	2.0
138.09142	4.5
139.03900	0.5
140.07071	1.2
141.04039	0.8
143.05641	100.0
147.04416	1.1
149.09634	0.9
149.13223	0.4
150.05502	1.1
151.03951	0.5
151.07512	0.4
157.06508	0.4
159.04366	0.6
162.05496	0.7
163.03943	0.8
164.07066	22.9
165.05481	0.7
167.07027	0.6
174.11578	0.6
175.03915	1.8
177.05466	0.7
181.04935	0.7
182.08134	1.1
185.06705	0.6
189.05405	0.4
191.14307	1.3
192.04134	1.8
195.06538	0.4
200.10707	3.3
200.77802	0.4
202.10973	0.5
205.73384	0.4
207.06552	2.5
209.15373	0.8
213.05476	1.7
214.12268	1.3
217.13348	2.9
223.09082	0.5
224.09164	1.0
224.12929	0.6
225.05461	0.5
226.06099	0.5
227.07037	0.7
228.07928	0.5
228.10214	0.9
229.04994	0.7
233.12785	0.5
240.09541	0.4
241.04970	3.9
242.11778	1.7
243.14850	0.8
244.11903	0.5
245.12871	18.4
255.06691	0.7
257.04367	0.6
257.12885	0.6
259.14508	1.3
269.12857	0.7
283.12076	0.6
285.04083	1.0
287.05405	0.9
287.13901	33.6
290.10205	1.6
300.06345	1.4
301.06793	0.9
303.04980	1.5
305.11542	0.3
305.14948	8.6
308.11270	3.5
313.03513	0.9
326.12338	1.0
327.16333	0.9
328.05750	11.0
329.06104	0.4
331.04507	2.9
346.06827	17.7
347.07214	0.7
347.16266	0.5
361.09174	35.0
362.09460	1.6
369.11749	0.4
377.17020	0.8
395.16052	2.6
408.18988	1.1
408.69150	0.8
413.17090	6.9
431.18106	10.4
443.13666	0.5
449.19144	3.7
468.17184	4.8
591.23975	9.0
609.14288	1.8
609.23309	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
60.05656	0.2
68.99786	0.3
69.03442	1.1
70.06590	0.4
70.87193	0.3
71.04989	0.3
72.08155	0.2
76.02220	0.3
79.05495	0.2
81.03404	1.3
85.02912	1.1
87.00811	0.3
87.06718	3.5
91.05468	0.3
95.04936	0.2
97.02889	0.8
99.04446	0.5
109.02884	1.6
113.04617	0.3
119.04977	0.3
121.02875	0.3
122.06071	0.2
125.02256	0.2
125.04609	0.2
126.02985	0.2
127.03944	1.2
141.01794	0.2
141.04062	0.9
142.04930	0.2
143.05643	100.0
144.05972	0.7
145.04947	0.3
147.04420	0.5
159.02948	0.2
163.03923	0.2
167.05618	0.2
167.06944	0.2
175.03896	0.4
177.05458	0.4
185.06718	0.5
188.06973	0.2
189.05339	0.2
207.06505	0.9
286.04581	0.2
288.12228	0.2
301.07135	1.3
303.05051	0.5
305.10904	2.0
305.14166	0.3
373.09805	2.0
433.12573	0.3
463.11923	0.2
481.11560	0.2
499.13068	1.4
505.62262	0.2
517.14136	1.2
518.14459	0.2
535.15271	2.9
578.26044	0.2
609.22321	5.2
610.21350	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1814
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.54645	0.7
53.03917	1.4
54.44482	0.7
55.01872	1.8
55.05489	1.7
57.03437	8.6
58.49209	0.7
59.04983	0.9
61.02900	2.0
65.03915	1.3
67.05466	2.2
68.44134	0.7
69.03408	1.8
69.07047	1.5
69.94791	3.0
69.95209	1.0
70.06568	0.9
70.19125	0.6
71.04996	45.7
73.02900	1.4
75.04446	2.3
79.05491	1.2
81.03384	2.6
81.07046	3.8
83.04970	1.6
83.08607	0.9
84.08102	0.8
85.02908	47.6
85.06545	4.4
87.04456	1.4
91.05464	1.7
93.07013	2.6
95.04955	1.3
95.08607	3.7
97.02847	1.5
99.04410	1.6
105.06973	0.9
107.08585	1.9
109.02826	2.0
109.10126	2.2
111.04422	1.4
111.08064	1.1
121.02854	1.2
121.10153	1.3
125.09650	0.7
127.03864	1.5
129.05501	8.1
135.04366	1.0
135.11684	1.0
137.02263	1.2
143.05681	3.7
146.33319	0.8
147.06461	1.0
147.11641	1.1
149.02367	0.7
149.05934	2.0
149.13246	1.1
151.03906	5.1
153.01813	0.8
163.03802	1.5
164.07059	0.8
165.01849	4.2
167.03412	2.1
167.07042	1.3
175.03903	2.1
177.05466	1.8
183.02873	2.5
193.12271	1.0
195.02823	2.3
207.06537	0.9
211.16965	1.2
229.17946	1.0
233.04370	1.0
243.02956	1.0
243.06729	1.0
254.05687	0.7
257.04407	1.4
258.05225	7.9
259.06055	0.7
261.03937	1.1
270.05170	1.0
271.05930	1.9
281.04361	0.8
282.05286	3.8
283.05862	1.4
286.04718	25.2
287.05585	4.6
289.25116	0.8
295.05850	1.2
295.26227	1.9
296.06830	5.9
297.07495	4.2
298.04767	13.6
299.05396	2.2
300.06317	5.5
301.07071	83.1
302.07236	1.0
303.04965	2.5
307.06125	0.7
307.26288	1.5
309.07486	1.5
310.04681	4.8
310.08374	2.3
311.05673	1.2
311.08914	3.8
312.06180	1.7
313.07065	92.5
313.27045	0.8
314.07855	7.7
315.08154	1.2
320.06665	1.0
324.06317	10.3
325.07178	8.3
325.10663	1.1
325.27509	1.5
327.08649	2.4
328.05768	17.6
335.09091	1.1
336.06396	1.9
337.07080	2.3
338.07819	6.8
339.04904	1.8
339.08621	16.4
341.06525	1.7
343.08130	100.0
344.08398	1.2
348.06442	1.4
351.08698	2.3
352.05667	1.6
353.06131	1.7
353.10217	15.6
355.08163	1.3
363.08740	3.3
364.05792	1.4
366.07367	0.9
367.08118	47.1
376.05777	1.6
379.08093	11.7
381.09735	4.0
391.08142	9.3
394.06888	2.3
397.03970	1.5
397.09189	29.9
409.09222	20.1
427.10278	25.7
445.11304	52.1
463.12372	65.0
464.12466	1.4
609.17450	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1813
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
53.03936	1.2
55.01860	1.3
55.05508	1.3
55.82635	0.9
56.36362	0.8
57.03437	7.1
61.02922	1.3
65.03928	1.2
67.05505	1.6
69.03425	1.9
70.06591	1.0
71.04600	1.9
71.04994	38.0
71.60277	0.7
71.60707	1.3
75.04481	2.1
79.05527	0.9
81.03416	3.2
83.04969	2.2
85.02911	42.9
85.06521	1.4
86.09720	1.7
86.51716	0.9
87.04472	1.5
87.06738	1.3
91.05468	1.0
95.04940	2.2
95.08598	1.3
97.02888	1.5
103.03969	0.9
109.02871	1.4
112.51763	0.9
116.20969	1.0
119.04932	1.3
121.02872	2.3
122.06037	2.9
123.04420	1.2
127.03929	1.7
129.05495	7.3
136.07607	1.6
143.05649	16.4
145.02789	1.7
147.04408	2.0
147.11703	1.1
149.06004	2.4
151.03934	3.6
163.03966	2.1
164.07036	2.1
165.01820	5.7
166.08662	2.7
167.03397	1.3
167.07018	1.7
169.79596	1.1
175.03925	2.4
177.05461	2.5
183.02919	4.7
193.05074	1.2
193.12299	1.4
195.02885	2.8
202.44998	0.9
207.06548	1.8
258.05338	1.1
268.03348	0.9
268.07315	1.0
269.07977	1.3
270.05270	2.2
271.06119	1.8
273.04013	1.8
282.05338	4.2
283.06128	1.6
285.17032	1.2
286.04733	2.6
287.05606	6.8
287.13889	2.2
295.06030	3.9
296.06778	5.6
297.07578	4.1
298.04724	14.3
299.05490	1.3
300.06348	4.2
301.03815	1.6
301.07083	12.8
303.05096	3.0
307.06076	3.0
308.06830	2.1
309.07541	2.2
310.04742	5.6
310.08365	3.1
311.09134	4.1
313.07065	97.1
314.07776	6.5
316.16840	1.2
320.06903	1.8
324.06305	10.8
325.07089	10.5
325.10599	1.9
327.08701	2.4
328.02243	1.7
328.05807	20.7
331.08151	1.1
335.09085	2.2
336.06027	2.0
337.07080	4.0
337.10889	1.0
338.07834	7.0
339.04932	1.7
339.08640	16.9
341.06567	1.7
343.08145	100.0
344.08615	1.0
348.06281	2.0
349.07104	1.3
351.08478	2.2
352.05777	1.3
352.60760	1.0
353.06143	1.2
353.10263	17.7
355.07947	1.3
361.09619	1.4
363.08487	5.6
364.05798	3.2
366.07373	1.6
367.08130	51.8
379.08112	14.1
381.09662	3.0
391.08185	12.2
393.09653	1.0
394.06586	2.1
397.09180	32.1
409.09189	22.7
421.09036	2.0
427.10257	26.5
431.17780	1.5
439.10388	2.7
445.11349	56.4
457.11163	2.1
463.12415	54.0
464.12851	1.0
481.10901	2.1
493.11200	2.5
511.12442	1.2
523.12170	2.0
541.13251	3.5
559.14063	1.7
591.23395	2.3
609.17151	1.0
609.24207	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1814
Annotation	Neodiosmin
Peak:m/z	Relative Intensity
56.37322	0.1
57.03442	0.6
69.61678	0.6
71.01331	0.1
71.04993	3.4
74.67545	0.1
75.04471	0.1
80.53332	0.1
83.04980	0.1
85.02906	4.7
87.04427	0.2
111.04424	0.2
124.26018	0.1
129.05469	1.2
136.44969	0.1
147.06543	0.2
149.05989	0.1
151.03867	0.1
153.01819	0.5
171.02869	0.3
175.03925	0.1
177.75363	0.1
229.05003	0.2
243.69171	0.1
255.06232	0.1
257.04379	0.1
258.05246	10.2
259.05832	0.1
277.06918	0.1
286.04718	32.2
287.05115	0.2
301.07056	100.0
302.07434	1.3
463.12347	20.5
464.12961	0.2
609.18079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.1
55.05494	0.1
57.03433	0.6
59.04978	0.1
59.65789	0.0
67.01836	0.1
68.82542	0.0
68.99801	0.1
69.03396	0.1
70.16563	0.1
70.16968	0.1
71.01336	0.1
71.04992	4.2
73.02885	0.1
75.04472	0.2
83.04955	0.2
85.02903	4.8
87.04432	0.2
99.04406	0.1
111.04421	0.1
129.05476	1.2
147.06520	0.2
149.05925	0.2
151.03886	0.1
153.01804	0.7
158.31039	0.0
171.02899	0.2
175.03870	0.1
193.05006	0.0
215.91032	0.0
229.04836	0.3
233.08127	0.1
245.08220	0.1
255.06403	0.1
257.04544	0.1
258.05234	11.8
259.05759	0.1
273.07443	0.1
286.04706	35.4
287.05133	0.4
301.07050	100.0
302.07364	1.4
315.77820	0.1
343.08185	0.1
367.08182	0.1
411.10226	0.1
447.12717	0.1
463.12332	17.3
464.12674	0.4
608.67548	0.0
609.18073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1605
Annotation	Vitexin 2''-O-(E)-ferulate
Peak:m/z	Relative Intensity
51.02386	0.2
55.01885	0.3
55.05514	0.5
57.03427	0.3
57.07069	0.3
61.02934	0.3
63.02391	0.8
65.03943	0.4
67.05505	1.2
67.27588	0.2
67.32051	0.2
69.03420	1.2
69.07074	0.7
70.06595	0.4
70.90586	0.5
70.90919	0.4
71.04996	0.5
76.91635	0.3
78.04710	0.6
79.05490	1.0
81.03426	1.0
81.07054	1.8
83.08627	0.5
85.02894	1.0
85.06541	1.1
86.09722	0.4
89.03918	10.9
91.05470	1.7
91.64574	0.3
92.80016	0.2
93.07052	0.9
95.04982	0.8
95.08601	1.4
99.04465	0.5
103.05466	0.7
105.01898	0.2
105.07015	0.9
106.04157	0.6
106.92920	0.3
107.04964	0.6
107.08598	0.8
109.02868	0.6
109.06544	0.3
109.10151	1.0
117.03381	28.6
119.04932	1.7
119.08627	0.6
121.02868	1.3
121.10152	1.0
123.04433	0.2
123.11701	0.4
124.05191	0.5
125.09637	0.2
127.03904	0.9
127.84076	0.2
131.04892	0.3
133.06500	0.3
133.10170	0.5
134.03604	2.1
135.04417	3.1
135.11676	0.4
136.07532	0.3
137.05957	0.8
143.05634	1.4
145.02846	62.4
146.03201	0.5
147.04378	1.3
149.02280	0.4
149.05980	9.3
149.13245	0.5
151.03941	0.3
158.05946	0.4
161.06003	0.5
162.03186	0.5
163.03929	1.6
165.01845	0.7
165.95569	0.3
167.03395	0.9
167.07060	0.8
169.70580	0.2
175.03871	0.7
175.07497	0.3
177.05470	100.0
178.05803	1.1
181.05054	0.4
183.02896	1.0
186.05505	1.6
187.07420	0.3
189.05476	0.5
195.02954	0.5
203.01488	0.2
205.05013	0.3
205.08379	0.3
207.06573	1.1
209.08286	0.3
219.06639	0.6
221.04358	0.3
239.07094	0.5
267.06494	3.1
270.05240	0.5
271.06030	3.8
272.06311	0.3
279.06311	0.3
279.47321	0.3
281.08090	1.2
283.06027	10.8
284.06796	1.4
285.07462	0.3
286.04651	0.7
287.05505	0.4
295.06036	11.2
295.09335	0.6
297.04105	0.4
297.07446	0.6
301.07007	2.4
305.07855	0.4
307.06122	0.4
307.26312	0.4
308.06635	0.5
309.07489	3.2
311.05698	0.3
313.07059	13.3
319.13675	0.3
323.09100	1.9
325.07022	0.4
325.27338	0.5
333.07394	0.7
337.07068	5.6
339.10828	0.5
347.07761	0.5
349.07190	1.4
351.08585	0.3
356.31430	0.3
361.07022	1.2
367.08151	3.2
379.08130	6.3
397.09131	2.8
411.08350	0.4
415.10248	6.3
427.08173	0.3
428.08905	0.3
433.11304	6.6
443.11310	1.3
463.12326	0.8
471.10654	3.2
489.11584	1.1
591.14301	0.4
609.15863	0.7
609.33289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34022	0.9
53.03941	2.2
53.29142	0.9
55.01872	2.4
55.05516	15.5
57.03431	3.4
57.07084	1.3
65.03931	1.6
65.51717	0.8
67.05509	23.8
67.25988	0.7
69.07074	14.3
70.28325	4.4
71.04990	2.0
71.89842	0.8
79.05497	18.6
81.03411	2.7
81.07057	26.6
83.04998	1.0
83.08601	5.5
83.56658	0.8
83.68808	1.0
85.06523	2.1
91.05488	18.6
91.06021	1.5
93.07053	17.5
93.83094	1.0
95.04984	5.8
95.08613	19.4
95.17985	0.9
97.06538	4.2
97.10170	4.6
99.08123	0.9
105.07036	15.1
107.04967	2.5
107.08598	10.4
109.06504	1.6
109.10165	8.8
111.08073	1.5
115.05496	1.8
117.07030	7.3
119.08588	14.0
121.06512	1.0
121.10168	6.2
123.08091	1.2
123.11703	1.9
125.09657	3.1
125.42874	0.9
128.06248	2.4
129.07005	8.9
130.07811	1.1
131.08569	12.0
133.10144	9.1
135.11749	3.8
141.07004	5.6
142.07803	2.9
143.08582	10.1
145.10107	10.2
147.11684	5.0
149.09660	2.0
149.13292	1.5
153.07030	1.6
154.07742	1.9
155.08577	10.6
156.09355	2.2
157.10135	9.9
159.08098	1.2
159.11702	8.5
161.09746	1.0
161.13271	3.0
163.11198	1.2
165.07040	2.1
167.08580	7.1
168.09387	2.2
169.10133	11.2
170.10950	0.9
171.11679	8.1
173.13271	4.2
178.07880	1.0
179.08575	4.8
180.09346	2.8
181.10115	9.4
182.11052	1.8
183.11688	13.6
185.13303	6.6
187.14827	2.6
189.16351	1.2
192.09207	1.1
193.10129	4.9
194.10974	1.3
195.11693	10.9
197.13300	9.7
199.14886	3.2
205.10139	2.7
206.11092	1.6
207.11713	6.9
209.13254	8.9
211.14798	6.1
213.12878	0.9
213.16483	2.8
219.11781	2.5
220.12502	1.1
221.13254	6.9
223.14743	5.7
225.16469	3.1
227.18057	1.5
233.13278	2.5
235.14833	4.7
237.16342	4.6
239.18044	3.5
241.19580	1.1
245.13425	1.2
247.14874	2.0
249.16476	3.3
251.17969	3.0
253.19508	1.2
259.14752	0.9
259.20667	2.7
263.18079	2.9
265.19547	1.2
275.20111	3.3
277.19547	1.4
279.21252	1.3
307.20538	1.8
315.23239	1.0
319.20554	1.5
321.22214	2.1
325.21527	1.2
334.40662	0.9
335.23734	1.3
361.25406	1.6
363.26859	2.6
377.28592	1.7
379.26306	1.3
389.28653	1.7
391.30295	1.7
393.28070	1.9
403.30142	1.3
417.31638	1.1
421.30917	1.1
445.30701	1.1
447.32980	1.2
459.32861	1.5
463.31216	1.4
495.34866	0.9
497.38159	2.0
515.38910	10.3
533.40039	7.7
537.35840	1.6
538.36591	1.7
551.41125	4.6
571.41809	1.4
589.42328	5.9
607.43658	100.0
608.44366	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47260	0.6
53.03941	1.9
55.01874	2.3
55.05511	12.8
57.03437	4.5
57.07079	1.8
65.03952	1.4
67.05507	23.2
69.03409	0.7
69.06725	1.0
69.07069	11.7
69.92201	0.7
70.07402	0.6
71.04998	2.4
79.05495	19.4
80.25530	0.7
80.27070	0.6
81.03426	1.7
81.07060	24.8
81.17660	0.7
83.04984	1.4
83.08621	6.6
85.06539	1.4
91.05489	15.8
93.07047	19.0
95.04979	3.2
95.08607	17.8
95.09165	1.2
97.06538	2.3
97.10153	3.7
99.08100	1.2
103.05505	0.8
105.07033	14.6
107.04949	1.1
107.08599	10.0
109.06553	1.9
109.10172	7.2
111.08110	1.7
115.05458	1.2
117.07027	9.1
119.07732	0.6
119.08572	12.9
119.09346	1.0
121.06490	0.8
121.10138	6.6
123.08099	1.6
123.11708	2.0
125.09644	2.3
128.06250	2.5
129.07007	8.6
130.07753	0.9
131.08572	11.7
133.10130	9.8
135.11685	3.7
141.06970	5.1
141.26454	0.7
142.07791	2.8
143.08557	11.7
144.09383	1.4
145.10126	11.1
147.07991	0.8
147.11667	4.9
149.09636	1.3
149.13275	1.5
153.07010	2.6
154.07758	1.5
155.08542	11.9
156.09363	1.3
157.10118	11.3
157.11313	1.0
159.11700	8.4
161.13298	2.6
165.07051	2.8
166.07864	1.6
167.08578	8.8
168.09387	3.1
169.10138	12.8
171.11685	10.5
173.13289	5.6
175.14828	1.8
178.07797	0.9
179.08574	5.1
180.09346	3.5
180.79834	0.7
181.10110	10.8
182.10971	2.2
183.11693	13.2
184.12569	0.8
185.13272	6.2
187.14862	2.9
191.08607	1.0
192.09372	1.3
193.10178	7.0
194.10942	1.4
195.11719	13.8
196.12462	1.1
197.13248	9.2
197.70337	0.7
199.14841	4.1
201.16356	1.4
205.10176	1.9
205.15878	0.9
206.10947	1.0
207.11673	7.1
208.12508	1.3
209.13237	9.6
211.14851	6.1
213.16508	2.5
215.17860	0.9
219.11765	3.1
220.12552	1.5
221.13248	6.6
222.14006	0.8
223.14778	8.8
225.12827	0.7
225.16379	4.7
227.18077	1.3
233.13326	2.8
235.14847	4.7
237.16478	5.8
239.18007	2.5
241.19626	1.2
245.13385	0.7
247.14832	2.2
249.16315	3.7
251.18077	3.9
257.19064	1.0
259.14798	1.2
259.20660	1.3
261.16455	1.9
263.17993	2.7
265.19516	2.9
267.21396	1.1
273.18671	1.3
275.20218	2.5
277.19525	1.9
279.21249	1.6
281.18890	1.1
283.20554	0.9
291.21033	1.4
295.20486	0.8
297.18597	0.8
297.22021	1.2
305.19052	1.0
307.20554	1.5
309.22180	1.4
317.38647	0.7
319.20599	0.8
321.22263	2.3
323.20221	0.9
323.23737	1.1
335.20087	0.8
335.23743	1.6
339.23044	0.9
347.23682	1.6
349.25269	2.0
361.25180	1.3
363.26855	2.2
365.24734	0.8
373.25137	1.5
375.26926	1.4
377.28662	2.4
379.26108	1.3
379.81604	0.6
381.27783	1.0
389.28226	1.4
391.30179	1.1
393.28149	0.8
403.29666	0.9
417.31671	0.9
419.29495	1.2
421.31216	2.1
427.29871	0.7
433.30704	0.9
445.31061	2.7
447.32938	1.0
463.32330	0.8
473.33752	0.8
495.34885	0.8
497.38101	1.7
515.38977	14.7
525.36078	1.0
533.39978	7.4
537.35730	1.8
551.41522	3.4
563.40192	1.0
571.41711	1.6
589.42633	8.9
607.43597	100.0
608.44147	1.2
626.72662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24784	0.9
53.03944	4.6
55.01868	7.3
55.05510	23.7
57.03427	2.5
57.07064	2.2
59.05000	1.1
65.03944	3.3
67.05503	48.9
69.03417	3.2
69.07064	31.3
71.05001	2.6
71.60345	1.3
71.60839	1.3
77.03922	1.6
79.05489	39.5
81.03418	8.3
81.07056	53.9
83.04974	5.0
83.08620	10.2
85.06519	2.4
91.05479	59.2
93.07040	41.6
95.01321	7.2
95.04980	9.9
95.08605	35.6
97.06532	10.8
97.10172	4.7
99.08096	2.7
103.05443	2.2
105.04530	1.6
105.07029	66.3
107.04959	9.8
107.08588	24.1
109.06519	3.3
109.10159	12.6
111.04424	1.2
111.08088	2.7
115.05463	3.7
117.07026	21.9
119.08578	38.5
121.06528	3.0
121.10147	12.6
123.08088	2.8
123.11716	3.2
125.09634	3.0
128.06270	2.9
129.07010	13.7
131.08565	27.5
133.10126	30.7
135.08054	2.8
135.11676	8.0
141.06975	7.3
142.07791	3.4
143.08540	15.4
144.09335	1.8
145.06447	1.5
145.10121	21.3
147.11679	16.3
149.09613	4.7
149.13268	5.1
151.11119	1.7
154.07755	3.1
155.08533	11.4
156.09392	2.7
157.10139	12.1
159.11705	15.0
161.09662	1.5
161.13246	7.2
163.11232	3.5
165.07045	2.3
165.08974	1.4
165.12852	1.7
167.08583	6.5
168.09413	2.6
169.10107	14.7
171.11702	11.8
173.13287	8.9
175.14903	2.0
177.12817	3.0
179.08586	3.8
179.14305	7.4
181.10106	8.7
182.10779	1.6
183.11694	15.8
185.13248	7.7
187.11186	3.2
187.14847	3.8
189.16405	1.4
191.08641	1.8
193.10126	4.1
194.10809	2.0
195.11746	9.9
197.13290	8.4
199.14861	3.7
201.12721	1.6
201.16393	1.5
205.10234	1.8
206.10924	1.5
207.11667	5.8
209.13229	8.5
211.14798	5.8
213.16393	2.7
215.17999	2.0
217.10072	1.2
219.11728	2.6
221.13292	5.1
223.14813	7.2
225.16328	2.1
229.19684	1.4
233.13298	1.7
235.14909	3.5
237.16446	4.6
239.18071	2.5
241.19513	6.3
245.13185	1.6
247.14908	2.0
249.16417	3.3
251.17885	4.2
257.19037	3.8
259.20544	7.6
261.16293	1.5
263.17914	2.3
275.20078	32.6
279.21008	1.3
293.21326	2.1
297.22177	1.5
308.69431	1.3
315.23300	7.7
319.20590	1.5
321.22119	2.0
333.22260	2.7
335.23764	2.6
342.60803	1.1
349.23965	3.2
363.26978	2.2
379.26141	1.2
395.20892	1.5
447.32657	1.4
497.37888	1.8
515.39001	9.8
533.39874	6.9
537.35822	1.5
551.40863	3.8
589.42603	3.8
607.35486	4.4
607.43530	100.0
608.44092	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01862	2.1
55.05511	16.1
55.99006	0.9
57.03438	4.6
57.07080	1.3
59.04992	1.0
65.03931	1.1
67.05501	30.6
69.07064	11.3
69.41923	2.4
69.42339	5.6
71.04990	1.3
79.05486	18.7
79.05908	1.6
81.07056	29.0
83.04984	3.0
83.08617	8.9
85.06535	2.2
91.05476	19.5
91.47709	0.8
93.07038	18.4
95.04966	3.6
95.08604	22.5
97.06535	2.8
97.10161	3.5
99.08101	1.9
105.07020	16.6
107.04984	1.2
107.08598	13.3
109.06533	1.6
109.10143	10.3
111.08076	2.0
115.05463	1.7
116.06220	1.2
117.07005	10.3
119.08579	15.1
121.10143	6.6
123.08089	2.4
123.11749	2.5
125.09621	1.5
128.06230	2.0
129.06990	11.7
130.07765	1.3
131.08556	14.4
133.10143	9.4
135.11691	4.1
137.09653	1.5
141.06976	7.6
142.07761	3.2
143.08551	12.9
144.09378	1.0
145.10114	14.0
147.08044	0.9
147.11693	5.9
149.09639	1.3
149.13217	1.8
150.20293	0.8
153.07030	3.7
154.07797	2.1
154.60776	1.0
155.08536	13.5
156.09325	1.2
157.10107	13.2
159.11671	9.1
161.13258	2.4
163.11249	1.1
165.07014	3.7
166.07809	2.0
167.08543	11.1
168.09332	2.2
169.10107	15.7
171.11678	8.8
173.13278	6.0
175.14828	1.6
179.08546	5.7
180.09396	2.0
181.10114	13.5
182.10841	2.1
183.11702	13.2
185.13240	5.7
187.11209	1.3
187.14818	3.5
191.08569	1.3
192.09320	1.4
193.10115	8.0
194.10913	2.1
195.11664	13.3
196.12444	1.1
197.13264	10.9
199.14830	4.0
201.16426	2.2
205.10175	3.0
206.10776	1.8
207.11708	7.9
208.12518	2.0
209.13261	14.7
210.14018	1.1
211.14795	5.9
213.14615	1.0
213.16336	2.2
217.16043	1.2
219.11748	3.8
220.12573	1.1
221.13216	7.4
222.13983	1.0
223.14807	8.1
225.16420	4.3
228.60487	0.9
231.11652	1.1
233.13286	3.6
235.14778	7.2
237.12976	1.2
237.16356	5.3
239.18047	2.8
245.19115	1.0
247.14899	2.4
249.16447	4.5
251.18048	4.6
253.19550	1.8
259.14838	1.1
259.20633	1.0
261.16309	1.9
263.18027	2.5
265.19516	2.6
273.18762	1.1
275.20221	2.1
277.19458	1.5
291.20807	1.4
293.19174	1.0
305.19095	1.0
310.82492	0.9
313.21579	1.1
317.22748	1.2
321.22043	1.9
325.21725	1.6
333.22150	1.4
335.23761	1.6
339.23471	1.1
347.23618	1.8
349.25327	2.4
351.23206	1.5
357.70801	0.9
363.26950	1.8
367.26065	1.0
375.26898	1.2
377.28613	1.7
389.28848	1.5
391.30426	1.7
403.29727	1.0
407.29285	1.0
416.27267	1.0
427.29642	1.3
445.31073	3.4
447.32428	1.0
497.38052	2.6
501.34192	1.2
515.38873	12.6
519.34552	1.1
533.40173	6.7
537.35571	2.5
551.40778	2.8
571.41437	1.7
589.42548	9.7
607.43524	100.0
608.43903	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	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.01872	6.4
55.05265	1.6
55.05510	25.5
57.03434	8.1
57.07072	1.7
65.03934	4.4
67.05504	75.7
69.03431	23.3
69.06723	1.7
69.07069	24.6
70.73951	2.7
70.74294	1.6
71.01356	1.8
71.05000	9.6
73.02920	1.6
77.03923	1.5
79.05491	50.6
81.03420	77.5
81.07055	98.0
83.04977	17.7
83.08621	17.2
85.02907	9.7
85.06551	7.9
91.05482	42.8
93.07042	67.4
93.98131	1.0
95.04967	16.7
95.08605	32.4
97.02894	14.2
97.06533	13.1
97.10177	3.1
99.04462	5.9
99.08085	3.4
103.04012	1.5
103.05477	2.5
105.07029	27.9
107.04963	7.3
107.08591	35.3
107.09299	2.2
109.02885	15.7
109.06512	7.1
109.10171	7.7
111.04433	9.0
111.08076	7.8
112.58849	1.1
113.09644	1.3
115.05453	2.3
117.07022	17.8
119.04933	2.1
119.08572	14.8
121.06512	5.7
121.10135	16.9
123.04440	2.6
123.08073	3.2
123.11738	6.4
125.09637	1.7
127.03938	11.4
128.06181	1.7
129.05495	1.4
129.07018	6.2
131.04970	1.1
131.08571	18.5
133.06502	3.5
133.10130	17.1
133.11070	1.8
135.08089	3.4
135.11681	9.6
137.06004	1.5
137.09639	1.6
141.06990	1.7
142.07745	1.3
143.08592	4.6
145.06505	3.0
145.10117	6.4
147.08058	3.1
147.11679	12.4
149.09576	2.6
149.13251	25.4
149.14377	2.0
151.11200	2.9
155.08598	2.9
157.10126	4.3
159.08040	2.8
159.11679	16.3
161.09703	2.1
161.13242	2.8
163.07413	1.1
163.11261	2.1
165.12762	5.9
169.10135	1.2
171.08044	1.8
171.11659	2.1
173.04497	5.0
173.09621	1.4
173.13287	2.3
175.11211	3.2
177.12717	9.9
179.14278	1.2
181.10158	2.9
183.06544	2.6
183.11769	2.2
185.09592	1.8
191.10741	1.5
193.10088	1.2
193.12149	1.2
195.12003	2.3
195.13792	22.4
197.13295	1.5
199.11147	1.3
211.11279	1.1
213.14880	3.3
217.12221	1.3
219.13899	2.5
229.14244	1.6
233.15289	1.6
249.15013	1.3
251.16342	1.5
253.17937	1.7
257.15521	1.4
261.14627	1.6
267.15820	6.1
269.17432	14.2
275.16489	2.7
285.17410	1.6
297.17136	2.4
303.15869	3.6
305.17569	1.7
309.17255	2.9
321.16821	6.7
325.25742	1.5
339.17957	16.9
353.24869	2.8
377.19565	4.4
389.27002	2.5
395.20721	12.4
445.29535	10.2
463.30560	15.2
479.29703	1.8
487.30328	1.2
533.31006	1.8
571.33051	1.7
589.33392	6.6
607.34711	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.4
53.25877	1.0
55.01869	5.5
55.05511	22.5
57.03432	8.2
57.07072	2.2
65.03928	3.6
66.34325	1.2
67.05503	75.0
68.59384	0.9
69.03069	2.0
69.03425	20.8
69.06721	1.6
69.07071	23.8
70.31322	0.9
71.01343	2.6
71.04991	8.6
73.02939	1.3
77.03926	1.7
79.05491	54.5
81.03418	71.9
81.07055	100.0
82.59592	1.1
83.04978	18.8
83.08617	14.8
85.02903	9.0
85.06537	5.7
91.05479	41.2
93.07044	63.6
95.04962	13.0
95.08603	28.5
97.02899	12.6
97.06538	11.7
97.10166	3.8
99.04472	5.5
99.08097	3.1
103.03963	1.4
103.05493	1.3
105.05923	1.5
105.07033	23.7
107.04945	6.2
107.07863	1.9
107.08588	32.8
107.21683	1.0
109.02872	12.9
109.06516	4.8
109.10146	5.1
111.04444	9.3
111.08053	6.1
111.40156	1.1
113.06055	1.6
115.05425	2.4
117.07018	14.0
119.04962	1.1
119.08578	12.6
121.06506	3.9
121.10143	18.3
123.08044	2.8
123.11715	6.2
125.09602	1.6
127.03922	10.8
127.07642	1.2
128.06270	1.7
129.07001	4.5
130.07765	1.4
131.08572	19.4
133.06494	3.2
133.10129	16.2
135.04465	1.2
135.08081	3.1
135.11693	10.6
137.06047	1.8
137.09636	1.8
141.07025	2.2
143.08569	4.2
145.06471	1.5
145.10156	5.2
145.62206	1.1
147.08086	2.2
147.11670	11.3
149.06004	1.1
149.09644	3.1
149.13261	28.5
151.11154	1.0
153.09103	1.6
155.08585	3.3
157.10162	3.7
159.11684	15.7
161.09622	1.3
161.13249	2.2
163.11258	2.0
165.12715	7.2
169.10150	1.4
171.11705	1.7
173.04456	4.4
173.13257	2.1
175.11201	1.4
177.12732	11.6
183.06511	1.4
183.11714	1.9
185.13231	1.9
191.14293	1.6
193.12260	1.7
195.13797	23.6
213.13000	1.2
213.14838	5.2
219.13869	1.4
221.15457	1.7
229.14377	1.5
233.15433	2.2
247.13252	1.1
249.14871	2.3
251.16415	2.2
253.17973	1.8
261.14774	1.3
267.15900	7.1
269.17474	14.0
273.18466	1.3
275.16418	2.5
285.14865	2.9
287.16202	1.3
293.17447	2.3
297.16907	1.7
303.16031	4.7
321.16931	7.0
339.18069	15.8
353.25064	1.3
359.18628	2.0
369.70340	1.2
377.19714	4.2
395.20654	13.9
437.27368	1.6
445.29630	5.2
463.30511	15.5
479.29926	1.6
533.31366	2.0
571.32874	2.3
589.33221	4.9
607.34753	95.1
608.35205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.2
55.01865	6.5
55.05510	26.4
57.03440	10.5
57.07063	2.3
59.05000	1.1
61.02929	1.5
65.03931	4.8
67.05502	77.8
69.03431	20.3
69.07065	23.0
71.01337	2.1
71.04988	9.7
71.60633	1.5
73.02901	1.0
73.06549	1.2
76.22215	1.0
79.05492	56.0
81.03416	76.7
81.07055	94.3
83.04980	18.6
83.08614	15.1
85.02914	7.2
85.06536	6.1
91.05479	42.5
93.07044	61.3
95.04964	18.7
95.08604	31.5
97.02888	14.2
97.06528	14.1
97.10188	2.5
99.04477	6.2
99.08087	3.0
101.02380	1.4
103.05479	1.8
105.04517	1.9
105.07031	26.4
105.07677	1.9
107.04967	4.9
107.08597	33.5
109.02867	13.6
109.06514	7.5
109.10150	7.2
110.06036	1.2
111.04436	9.5
111.08075	7.4
113.06061	1.4
115.05479	1.6
117.07015	16.2
119.08572	12.6
121.06495	6.4
121.10146	20.3
123.04469	1.6
123.08067	3.4
123.11700	8.0
125.05984	1.3
127.03925	12.1
129.05521	1.4
129.06985	6.7
131.08571	18.2
133.06473	3.3
133.10126	15.1
135.08052	2.9
135.11696	10.0
137.09645	2.4
141.07031	2.3
143.05682	1.1
143.08594	4.3
145.06508	3.8
145.10121	6.0
147.04430	2.2
147.08032	3.0
147.11673	12.7
149.09613	2.6
149.13260	27.4
151.11172	2.3
155.08528	2.1
157.10144	5.9
159.08064	2.2
159.11708	14.0
161.05965	1.4
161.09676	1.6
163.11113	2.1
165.12779	6.4
167.07091	1.2
169.10075	2.1
171.07994	1.4
171.11736	2.5
173.04507	4.0
173.05977	1.4
173.09602	1.3
173.13298	1.8
175.11203	2.9
177.12769	8.2
183.06561	2.7
184.07434	1.4
187.14832	1.5
193.12343	1.7
195.13792	19.8
197.13237	1.1
199.11253	1.3
201.12784	1.7
209.11716	1.2
213.12923	1.8
213.14925	4.7
219.13869	2.0
233.15398	1.9
237.14861	1.9
251.16553	1.4
253.18088	1.4
261.14865	2.0
267.16071	5.1
269.17389	9.5
275.16461	3.1
287.16611	1.4
291.20074	1.3
297.16919	1.8
303.15952	2.8
321.17108	6.0
339.18015	12.2
343.26382	1.3
376.48123	1.5
377.19748	2.3
380.60425	1.3
395.20721	14.0
445.29831	6.2
463.30594	12.8
472.65628	1.1
479.29889	1.4
533.30713	1.5
571.33099	2.9
589.33575	3.1
607.34802	100.0
608.34906	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82100	3.8
52.24010	5.3
55.01859	7.1
55.05510	56.9
57.03429	16.4
61.02906	7.0
65.03916	5.2
67.05222	4.6
67.05504	45.4
69.03426	21.5
69.07073	42.1
70.06570	9.6
71.04984	16.8
71.61225	7.2
73.02905	9.7
79.05492	31.0
79.74364	4.0
80.44569	3.7
81.03409	15.6
81.07058	98.2
83.04979	10.3
83.08606	12.9
84.08131	7.7
85.02902	40.9
85.06521	14.5
86.09697	6.3
91.05476	54.7
93.07037	63.8
94.06584	4.1
95.01315	9.7
95.04956	13.1
95.08607	85.2
96.08112	8.4
97.02886	19.6
97.05996	4.1
97.06538	17.7
97.10165	72.3
99.04456	6.2
99.08083	7.2
103.03927	5.6
103.05460	5.9
105.07022	49.8
107.04974	7.2
107.08594	77.3
109.02876	15.9
109.06542	10.6
109.10161	56.7
111.04414	6.2
111.08070	18.7
113.02365	7.8
117.07002	6.8
119.04911	6.6
119.08584	40.6
121.02885	5.3
121.06491	9.2
121.10152	32.2
123.04373	5.0
123.08057	14.1
123.11710	37.3
125.09619	30.6
127.03908	16.3
127.07541	4.3
129.05444	4.6
131.03343	4.8
131.08556	17.5
133.10133	39.6
135.07953	5.3
135.11691	55.7
136.07545	4.7
137.02400	4.8
137.05963	26.0
137.09587	12.8
139.11217	7.5
140.07027	4.2
141.01797	19.2
143.05646	31.8
143.08556	5.1
143.10664	13.3
145.02904	5.0
145.10135	25.7
147.04393	18.3
147.08005	6.3
147.11708	30.2
148.04768	4.0
149.13231	14.1
151.03874	8.4
151.07530	5.7
151.11179	26.3
153.01917	4.6
153.12733	38.4
157.10103	6.5
159.02911	4.9
159.11659	25.0
161.05923	11.0
161.09599	4.6
161.13301	20.5
162.06592	4.0
163.03918	8.4
163.07556	8.8
163.11223	8.4
163.14767	5.5
165.12782	10.0
167.07045	17.8
171.11606	9.5
173.13228	6.9
175.04018	10.4
175.07401	5.1
175.14827	14.9
177.05489	12.9
177.12741	7.8
179.10645	6.1
185.13219	5.6
187.14844	25.5
189.16357	5.9
191.14211	7.2
195.07870	4.6
199.13127	4.9
203.14291	7.8
205.15814	5.4
207.06500	14.6
207.10153	6.7
221.15344	8.1
229.15915	5.5
235.16905	8.3
245.13855	24.1
258.05188	13.8
265.08557	6.6
266.09491	5.2
267.21182	10.5
267.73022	4.4
268.07138	4.6
271.05954	15.1
273.22070	7.4
275.23788	4.4
283.09616	9.2
285.22226	23.0
286.04715	37.2
287.05298	24.1
291.23193	16.0
301.07086	100.0
302.07321	9.4
303.23169	35.6
309.11148	5.1
310.12036	7.0
311.12714	5.6
321.24228	11.1
327.12259	35.4
341.13580	8.5
342.14630	64.5
365.26889	11.7
377.26880	36.7
383.27792	20.1
395.27924	72.3
413.28934	15.0
571.31055	9.0
607.23438	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
55.05257	5.0
55.05507	57.1
56.96566	2.9
57.03424	10.8
57.07053	7.8
63.80404	3.8
67.05505	28.8
69.03426	19.9
69.07068	50.8
70.06577	4.6
71.04977	6.8
71.60966	2.6
71.61420	4.1
79.05485	23.1
79.11469	3.3
81.03407	8.7
81.07054	74.6
83.04978	6.2
83.08603	12.7
85.02878	13.2
85.06528	10.0
85.51083	3.0
86.09737	4.5
91.05482	21.4
92.55156	3.1
93.07043	29.7
95.01308	5.2
95.04966	24.2
95.08604	70.9
97.02892	6.4
97.06515	10.3
97.10167	100.0
99.08084	9.7
105.07035	33.7
107.04949	3.7
107.08591	40.6
109.02860	8.9
109.06551	7.7
109.10149	38.5
111.04462	4.9
111.08109	5.0
111.11706	4.7
113.02367	4.6
115.93668	3.5
117.06998	5.1
119.04920	8.7
119.08593	24.8
120.08084	7.0
121.02870	3.9
121.06507	4.8
121.10127	23.2
123.08038	12.1
123.11691	37.3
125.09641	27.4
127.03952	7.7
130.23178	3.4
131.05005	3.5
131.08548	8.0
133.10104	19.1
135.08026	4.4
135.11681	18.4
136.07562	3.9
137.05965	10.4
137.09604	9.3
137.13226	11.8
139.11147	16.8
141.01799	6.7
141.09085	6.0
143.05638	42.1
143.08569	3.2
143.10672	26.1
145.02852	4.5
145.06467	3.5
145.10120	14.6
147.04375	7.7
147.11708	22.0
149.09560	4.5
149.13240	10.5
151.03943	4.1
151.07489	9.4
151.14781	5.5
153.01884	4.4
153.12685	8.0
155.10640	4.4
157.10081	3.7
157.12273	4.7
159.08046	3.8
159.11650	16.7
161.05940	7.4
161.13235	10.0
163.03935	6.6
163.11229	6.2
165.12709	14.0
167.07034	10.4
173.13223	6.9
175.03914	5.4
175.14851	5.7
177.05505	8.0
177.12679	8.3
179.14336	3.9
185.13329	4.7
187.10973	3.4
187.14813	8.6
189.11186	5.7
191.14261	5.2
201.16486	3.7
203.36304	3.1
207.06535	14.1
227.12682	9.6
241.14377	7.1
243.12291	11.8
245.13828	37.0
258.05106	3.9
267.21167	3.9
271.06015	91.4
272.06561	3.8
275.23718	7.7
285.22144	10.5
286.04709	8.8
287.05511	17.0
291.23032	5.2
301.07101	27.3
303.23145	20.8
315.08542	6.7
321.08551	3.5
321.24258	18.1
325.20163	4.7
329.11118	5.3
365.26788	5.1
377.26703	26.1
383.27954	37.8
395.27872	90.4
395.35916	4.5
409.19952	3.4
413.29037	29.6
450.20050	9.9
571.30701	7.8
600.48059	3.6
607.30243	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.291
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
61.06163	0.2
67.42361	0.2
70.73682	0.5
75.17962	0.2
94.02798	0.2
113.77562	0.2
154.07352	0.2
204.80275	0.2
212.71248	0.2
219.21248	0.2
300.14844	0.2
306.03827	0.2
387.16055	0.3
388.16626	0.4
389.17639	0.5
401.17703	0.5
402.18256	0.6
403.19238	1.6
404.19916	0.6
405.20709	0.7
416.20383	0.5
417.16257	0.6
417.21487	1.7
418.21478	1.4
419.22311	1.7
430.17706	0.7
431.18079	4.5
432.19327	0.7
433.19220	0.4
433.24066	5.8
434.24368	0.8
444.19107	0.4
445.19717	4.6
446.20740	2.5
447.21564	2.2
459.21259	2.4
460.22452	10.2
461.23343	9.9
462.23920	0.5
473.23596	2.3
474.24127	1.1
477.22687	0.4
487.24945	1.0
492.24936	0.3
504.25150	0.3
505.21429	1.3
506.27118	0.6
515.24377	0.5
517.22137	0.3
518.23334	0.4
519.27197	1.5
520.24646	0.3
532.24725	0.7
547.27032	38.3
548.27454	1.5
575.26263	0.8
579.29803	1.0
592.26270	0.4
607.29102	100.0
608.29395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2902
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
54.45518	0.4
62.59253	0.4
83.39986	0.4
92.63877	0.4
98.21473	0.8
106.58410	0.4
138.09937	0.4
229.48528	0.4
285.76233	0.4
318.09973	0.4
355.83496	0.5
389.17484	0.8
391.24615	0.6
401.17914	0.4
402.18497	0.7
403.19281	1.8
404.20053	1.2
405.20712	1.0
416.20502	0.7
417.16098	0.8
417.21362	2.2
418.21671	1.5
419.22430	2.6
430.17508	1.0
431.18024	4.7
432.19440	1.2
433.23962	4.0
434.24521	0.9
443.18457	0.5
445.19891	5.9
446.20486	2.5
447.21616	2.3
459.21527	3.0
460.22501	8.2
461.23294	6.6
473.23401	1.5
474.23730	0.8
487.25143	0.7
505.22549	1.3
506.26987	0.6
519.24084	0.9
532.24640	0.5
547.27032	15.9
548.26965	1.1
575.26752	1.0
607.29089	100.0
608.29089	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01870	2.4
55.05515	8.0
57.03433	2.2
57.77034	1.0
65.03931	1.1
67.05178	1.6
67.05505	21.9
69.03450	5.6
69.03760	1.2
69.07070	8.9
69.36703	3.7
69.37143	6.3
71.04980	2.7
79.05497	16.4
81.02970	0.7
81.03416	19.9
81.07056	29.4
83.04974	3.9
83.08623	4.8
85.02930	2.3
85.06527	2.0
91.05478	13.8
93.06474	2.1
93.07042	22.0
95.04980	5.1
95.08604	9.5
97.02899	4.8
97.06523	3.2
98.20704	1.8
99.04419	2.1
105.07021	7.0
107.04975	1.9
107.08604	12.1
109.02870	4.5
109.06515	1.8
109.10134	4.4
111.04436	2.8
111.08078	1.8
117.07056	4.8
119.08614	5.2
121.06477	1.9
121.10170	6.7
123.11687	1.6
127.03931	1.9
129.06931	1.3
131.08546	6.1
133.06505	1.9
133.10149	4.7
135.08041	1.7
135.11694	3.8
143.08580	1.7
145.06499	1.3
145.10115	2.4
147.11713	3.9
149.13286	9.9
155.08493	1.2
157.06490	1.0
159.11653	5.0
161.09569	1.2
165.12791	1.2
177.12766	2.7
183.11717	1.2
185.13370	1.7
195.13788	5.8
219.13821	1.1
221.13196	1.3
228.33084	1.2
233.15460	1.2
242.71022	0.9
267.15845	1.8
269.17484	3.7
269.52496	1.0
321.16968	1.5
323.66049	1.0
339.18134	3.2
344.28708	0.9
374.63376	0.9
388.17020	2.0
389.17502	1.9
390.18579	1.4
394.35089	1.0
395.20627	3.2
401.17511	1.0
403.19214	3.4
404.20053	1.8
405.20789	2.2
417.16486	2.0
417.21268	1.8
418.17398	1.2
419.22632	5.0
430.17380	1.3
431.18277	5.7
432.19171	3.2
433.20218	3.8
445.20132	4.8
445.29617	2.6
446.21042	8.2
447.21652	7.5
459.22235	1.8
461.19296	1.6
463.30441	3.5
471.22964	1.1
474.20541	4.1
475.20987	5.6
477.22644	1.6
491.20679	1.5
519.24152	13.9
524.08850	1.2
547.23383	12.4
579.26166	5.0
607.25275	100.0
607.34741	27.9
608.25629	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01878	6.0
55.05508	10.3
57.03441	1.8
57.07087	1.2
58.08347	0.9
62.75202	0.8
62.75626	0.8
65.03931	1.5
66.03805	0.9
67.05506	24.2
69.07069	16.9
69.31249	1.0
71.04989	1.4
71.48350	0.9
71.61074	1.3
71.67638	0.8
79.05495	20.3
81.03426	3.8
81.07059	28.8
83.04987	3.2
83.08627	4.0
85.06582	0.9
91.05479	35.3
93.07047	20.1
95.01340	4.0
95.04986	5.7
95.08610	20.7
97.06528	6.6
97.10168	2.1
99.08054	1.0
105.07028	38.2
107.04980	8.1
107.08598	10.9
109.06544	2.4
109.10149	7.1
115.05447	1.2
117.07019	11.9
119.08581	22.7
119.09361	1.8
121.06490	1.7
121.10117	5.4
123.08067	2.3
123.11737	1.2
125.09676	1.7
128.06238	1.0
129.07004	4.1
131.08565	13.5
133.10129	21.1
135.08067	2.2
135.11699	4.8
137.09660	1.7
139.07523	1.0
141.06990	1.6
143.08568	6.5
145.06544	1.3
145.10138	11.7
147.11693	12.1
149.09616	3.0
149.13315	1.9
155.08546	3.6
156.09337	0.9
157.10138	5.5
159.11679	10.2
161.13287	4.6
163.11226	1.9
167.08562	2.1
169.10170	2.8
171.11691	4.2
173.13275	4.3
175.14891	1.5
177.12744	1.6
179.08623	1.0
179.14372	6.7
181.10152	1.3
183.11734	2.8
185.13245	2.6
187.11151	2.1
187.14795	1.4
195.11748	1.9
197.13316	3.4
199.14824	2.2
201.16420	1.0
209.13217	2.7
211.14807	1.4
219.17448	2.4
223.14857	1.3
237.16441	1.5
241.19550	4.9
257.19116	2.9
259.20627	3.5
275.20071	24.9
293.21082	3.0
315.23114	5.7
349.23828	3.5
381.29749	1.3
387.15781	1.0
388.17105	1.7
389.17642	4.4
390.18396	1.7
401.18045	1.5
402.18900	1.6
403.19342	7.0
404.20114	2.2
405.20920	3.2
416.15863	1.8
417.17026	4.9
417.20993	4.2
418.17786	1.2
419.18674	1.0
419.22495	9.7
430.17905	2.0
431.18292	10.1
432.19510	3.0
433.20419	3.4
443.18805	1.4
445.20181	7.1
446.20914	7.5
447.21680	12.7
457.20917	1.1
459.22278	3.1
461.19565	2.2
463.25278	1.5
473.19095	1.8
474.20490	12.6
475.21292	14.0
477.23273	1.3
478.24280	1.1
487.21429	3.3
488.22156	1.0
490.23584	2.5
491.20578	2.0
491.25143	1.2
501.22882	1.8
519.24048	12.7
532.21326	1.8
533.40259	2.2
547.23407	82.3
548.24060	2.4
551.41144	1.5
579.26068	3.9
589.24213	2.0
598.33008	1.1
607.25562	100.0
607.43292	33.3
608.26056	4.4
610.05682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
67.05492	0.8
69.07048	0.2
70.73942	0.7
73.16768	0.2
79.05498	0.4
81.07063	0.7
86.80384	0.2
91.05515	0.4
93.07055	0.6
94.06526	0.2
95.04953	0.7
95.08524	0.3
105.07040	0.4
107.04948	0.2
117.07041	0.2
120.08118	0.3
131.08604	0.2
132.08087	0.2
133.10217	0.3
147.23039	0.2
183.09251	0.3
197.10725	0.2
206.08282	0.2
209.10777	0.3
221.10828	0.3
223.12576	0.2
273.18460	0.3
298.13556	0.2
310.13626	0.2
312.15054	0.3
336.14734	0.3
348.14780	0.3
370.15634	0.3
373.14551	0.6
374.15750	0.5
375.15860	1.1
376.16943	0.4
377.17834	0.3
386.15997	0.2
387.16302	0.6
388.16647	1.1
389.17599	2.9
390.18448	1.4
391.19189	1.0
400.17853	0.2
401.13330	0.2
401.17883	0.7
402.14578	0.6
402.19244	1.0
403.15616	0.6
403.19601	4.1
404.20111	1.6
405.20810	3.7
407.21872	0.2
415.15271	0.4
415.20032	0.3
416.15881	1.5
417.16315	4.7
417.21161	1.8
418.16843	1.1
418.21899	0.8
419.22446	6.2
420.23026	0.9
429.16336	0.4
429.21448	0.4
430.17752	0.8
431.18277	7.5
432.19147	3.1
433.20129	4.1
434.20898	0.2
435.21606	0.3
443.19064	0.3
444.19357	0.4
445.20154	4.6
446.21005	8.4
447.21634	8.9
448.22510	0.7
449.19693	0.3
459.17502	0.9
459.21994	1.6
460.18741	0.8
460.23807	0.3
461.19656	2.1
462.24664	0.4
463.20810	0.6
463.25674	0.4
473.18811	0.4
473.23743	0.7
474.20493	4.9
475.21036	5.0
476.21982	0.4
477.23395	1.0
478.23801	0.8
487.21481	1.5
490.23840	0.8
491.20105	3.4
501.22977	1.2
503.24817	0.5
504.21420	0.5
505.22275	0.9
506.23129	0.4
518.22308	0.3
519.24060	17.0
520.24725	0.4
529.22650	0.4
536.23633	0.3
547.23383	12.9
548.24146	0.4
551.26093	0.5
561.24695	0.4
579.25964	5.9
606.42328	0.3
607.25500	100.0
608.25470	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52489	2.7
55.01867	16.6
55.05509	34.7
57.03425	6.7
57.06837	3.4
57.07079	48.9
67.05130	3.5
67.05500	64.7
68.05814	3.1
69.03412	5.3
69.07069	27.5
71.04992	4.6
71.08633	39.2
71.34350	7.1
79.05495	44.6
81.03394	3.9
81.07055	90.2
83.04984	5.3
83.08624	26.0
83.33952	2.9
85.06532	3.2
85.10197	15.2
91.05480	36.9
93.07039	32.4
95.04947	12.4
95.08599	52.9
97.06550	14.9
97.10167	14.6
105.07015	38.8
107.04959	16.5
107.08598	24.0
109.06500	11.5
109.10148	32.7
117.07011	12.1
118.06538	3.3
119.08588	30.2
121.06493	5.6
121.10151	17.7
123.08033	3.9
123.11689	11.3
125.09592	6.6
131.08566	18.7
133.10120	23.0
135.08052	10.3
135.11679	8.7
137.09605	3.6
145.10118	21.1
147.11674	20.4
149.09618	20.3
149.13251	7.5
157.10042	3.6
159.11653	13.1
161.13243	8.3
162.09193	4.3
163.11163	9.2
165.12770	7.0
169.10121	4.2
171.11690	3.8
173.11757	3.1
173.13168	4.8
177.12860	4.7
183.11705	5.0
189.11221	4.0
190.40587	3.2
193.10234	3.2
197.13293	3.5
227.12730	10.7
230.15150	4.1
239.17905	7.2
239.23778	6.8
247.20454	3.9
257.19012	11.9
275.20065	100.0
292.19104	6.3
293.19196	3.5
293.21317	5.5
313.27350	59.3
349.23788	32.8
352.87045	3.0
466.86264	4.5
587.39117	3.8
587.46759	33.9
605.32135	6.2
605.48254	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	0.8
60.05633	0.5
61.02929	0.7
62.08334	0.5
69.03433	1.1
71.58795	1.0
83.27766	0.4
85.02888	2.0
85.27007	0.5
86.03537	0.6
86.09685	0.5
87.06716	2.6
95.65553	0.5
97.02873	1.0
98.97564	0.7
113.04613	6.6
121.40904	0.5
127.03896	0.6
141.04073	19.2
142.04860	2.2
143.05634	100.0
152.05760	0.9
161.01117	0.5
163.03886	2.2
171.05164	0.5
180.05145	1.0
189.00711	0.5
199.04698	0.6
237.02733	1.1
265.07983	1.8
305.10898	23.7
353.31131	0.5
365.07651	0.6
389.87207	0.5
407.26053	0.4
579.70367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.1
69.07047	0.8
71.08624	1.0
71.12016	0.8
71.60063	1.2
73.51912	0.7
81.07057	1.3
91.05421	0.9
103.75680	0.7
115.98093	0.8
177.12772	1.8
207.10275	0.9
284.98383	0.8
313.27460	1.4
318.10104	0.8
349.31641	0.8
353.43091	0.8
369.21613	0.8
389.18854	0.7
401.17780	1.6
415.19257	5.2
416.20245	2.5
429.20749	9.2
430.21536	3.7
431.22333	1.5
443.22540	3.4
444.23434	6.6
445.24451	4.3
457.19925	1.6
458.24704	3.3
459.21552	2.9
459.26489	1.6
471.22116	1.1
472.22360	3.9
473.23660	4.9
474.23834	2.5
485.23480	4.1
486.24142	1.7
487.24924	20.7
488.25674	1.7
502.23804	1.1
503.24478	2.5
513.22607	0.9
517.25568	2.3
531.23273	0.8
545.25476	15.4
546.25714	4.1
573.25287	1.9
605.27563	100.0
606.27826	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	605.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27780	0.2
53.03946	0.4
55.01870	0.5
55.05498	0.7
56.05037	0.4
57.03427	0.4
61.02895	0.3
67.05522	0.6
68.16496	0.3
69.03431	0.9
69.07055	0.5
70.06583	0.9
70.28921	0.9
71.01344	0.3
72.59431	0.3
73.02927	0.4
79.05466	0.5
81.03413	0.5
81.07035	1.6
84.08149	0.5
85.02899	1.7
85.06535	0.6
85.90527	0.3
87.04469	0.5
91.05473	1.1
93.07061	0.8
94.70826	0.3
95.04982	0.5
95.08604	1.1
96.24576	0.3
97.02888	1.1
97.06495	0.4
97.10178	0.3
99.04472	0.5
105.07039	1.1
107.04956	0.5
107.08595	0.8
109.02883	0.6
109.10131	0.6
111.08096	1.3
119.04911	0.4
119.08556	0.7
121.06538	0.6
121.10136	0.7
123.08024	0.4
123.11729	0.7
127.03949	0.7
133.10124	0.6
136.07539	0.4
137.05991	1.2
143.05661	6.6
145.04915	0.3
147.04408	0.8
147.11702	1.0
149.09590	0.4
151.03906	0.5
151.11189	0.4
153.05493	0.5
161.09685	0.5
163.03914	0.4
165.12746	0.8
167.07117	0.6
175.03925	0.6
177.05464	0.8
177.12747	1.2
178.13152	0.3
207.06622	0.8
227.08226	0.4
241.09825	1.0
255.11287	1.6
267.15909	0.5
283.10828	1.0
287.05515	0.7
301.12119	0.4
307.10098	0.3
308.00247	0.4
315.13416	0.5
349.50800	0.3
427.15118	1.0
443.13339	1.0
456.75555	0.3
587.21716	0.8
605.22076	100.0
606.22760	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	605.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27780	0.2
53.03946	0.4
55.01870	0.5
55.05498	0.7
56.05037	0.4
57.03427	0.4
61.02895	0.3
67.05522	0.6
68.16496	0.3
69.03431	0.9
69.07055	0.5
70.06583	0.9
70.28921	0.9
71.01344	0.3
72.59431	0.3
73.02927	0.4
79.05466	0.5
81.03413	0.5
81.07035	1.6
84.08149	0.5
85.02899	1.7
85.06535	0.6
85.90527	0.3
87.04469	0.5
91.05473	1.1
93.07061	0.8
94.70826	0.3
95.04982	0.5
95.08604	1.1
96.24576	0.3
97.02888	1.1
97.06495	0.4
97.10178	0.3
99.04472	0.5
105.07039	1.1
107.04956	0.5
107.08595	0.8
109.02883	0.6
109.10131	0.6
111.08096	1.3
119.04911	0.4
119.08556	0.7
121.06538	0.6
121.10136	0.7
123.08024	0.4
123.11729	0.7
127.03949	0.7
133.10124	0.6
136.07539	0.4
137.05991	1.2
143.05661	6.6
145.04915	0.3
147.04408	0.8
147.11702	1.0
149.09590	0.4
151.03906	0.5
151.11189	0.4
153.05493	0.5
161.09685	0.5
163.03914	0.4
165.12746	0.8
167.07117	0.6
175.03925	0.6
177.05464	0.8
177.12747	1.2
178.13152	0.3
207.06622	0.8
227.08226	0.4
241.09825	1.0
255.11287	1.6
267.15909	0.5
283.10828	1.0
287.05515	0.7
301.12119	0.4
307.10098	0.3
308.00247	0.4
315.13416	0.5
349.50800	0.3
427.15118	1.0
443.13339	1.0
456.75555	0.3
587.21716	0.8
605.22076	100.0
606.22760	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	603.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44956	0.2
52.65772	0.2
55.01853	0.5
55.05483	0.6
56.96534	0.2
57.03396	0.2
61.02898	0.3
63.71595	0.2
67.05495	1.2
68.99799	0.2
69.03425	0.8
69.07034	0.6
69.46815	1.4
71.04948	0.2
73.02890	0.2
79.05489	1.0
81.03426	1.3
81.07050	1.4
83.04945	0.6
83.08579	0.5
85.02869	0.8
85.06525	0.2
89.03902	0.2
91.05482	1.3
93.07043	0.9
95.04938	0.8
95.08625	1.0
97.02871	0.7
97.10154	0.4
98.97629	0.2
99.04418	0.3
99.08057	0.3
105.07018	1.0
107.04912	0.7
107.08604	0.8
109.02838	0.8
109.06480	0.5
109.09488	0.2
109.10155	2.5
111.04416	0.3
117.03357	0.3
117.07006	0.2
119.04935	0.6
119.08588	0.8
121.06469	0.3
121.10089	0.6
123.04424	0.2
123.08066	0.2
125.05979	0.2
125.09601	0.3
127.03931	1.0
129.06923	0.4
131.08537	0.4
133.02859	0.3
133.06445	0.3
133.10089	0.7
135.04356	0.7
135.07979	0.2
135.11688	1.2
137.02339	1.8
137.05943	0.8
137.09621	0.4
139.03902	0.3
141.01814	1.2
141.06927	0.2
143.05667	0.3
143.08473	0.4
145.02792	0.2
145.06424	0.3
145.10085	0.4
147.04381	0.5
147.11629	0.5
149.05911	0.3
149.09563	0.3
149.13239	0.2
151.03879	0.2
151.07607	0.3
153.01825	0.5
153.05492	0.2
154.28886	0.2
157.10118	0.3
161.05971	0.5
161.09567	0.2
163.03841	0.3
163.07480	0.2
165.01828	2.6
167.07074	0.8
169.06372	0.2
173.05940	0.3
175.03951	0.5
175.14790	0.6
177.05397	0.5
183.02905	2.2
185.13229	0.2
187.07607	0.2
193.15862	0.8
197.06038	0.4
201.05397	0.6
207.06488	0.8
211.16887	1.1
215.06956	0.5
225.05486	0.6
243.06526	0.7
245.04247	0.2
253.04970	0.6
271.06015	1.1
273.14752	0.2
281.04382	0.7
285.14557	0.2
287.05505	6.5
299.05499	100.0
300.05884	1.0
301.14465	0.3
305.08075	0.3
337.10608	0.4
343.15369	0.2
355.11761	29.7
356.12259	0.2
503.01575	0.2
557.84814	0.2
567.29327	0.4
585.30188	0.6
603.17346	1.5
603.32068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
57.03424	0.2
61.02954	0.3
65.03925	0.2
69.03413	0.7
69.23366	0.2
70.06585	0.7
71.04977	0.2
71.60509	0.2
71.60890	0.2
72.08164	0.3
77.03952	0.2
78.04707	0.8
79.05486	0.9
81.03419	0.8
81.07062	0.6
82.06584	0.2
84.04499	0.3
84.08146	0.7
85.02921	1.6
86.09696	0.4
87.47556	0.2
88.39704	0.2
91.05471	1.2
93.07034	0.6
95.04961	0.7
95.08617	0.3
97.02898	1.1
98.09682	0.3
103.05469	0.4
105.07041	1.2
106.04204	0.4
107.04968	1.3
107.08556	0.4
109.02888	1.0
109.06493	0.3
109.10139	0.3
115.35700	0.2
119.04984	0.4
119.08598	0.2
121.06511	0.8
123.04430	2.5
123.08081	0.2
124.05264	1.0
124.07596	0.8
127.03915	0.5
131.04973	0.2
133.06506	0.6
133.10132	0.6
135.04434	0.5
135.08060	0.4
136.07591	4.6
137.02371	0.2
137.05969	0.9
138.05464	0.4
143.05663	0.8
145.02850	0.2
145.04955	0.4
145.06491	0.2
147.04515	0.5
149.05963	0.8
151.03906	0.8
152.04709	1.1
152.07101	1.5
153.05449	0.3
161.05965	0.9
162.07637	0.2
163.03885	0.3
163.07640	0.3
164.07079	5.1
167.07048	100.0
168.07397	1.9
175.03918	0.2
177.05444	0.6
179.07088	0.6
181.08540	1.0
191.08595	0.2
193.08621	4.2
195.10368	0.2
200.71123	0.2
201.09187	0.3
205.08662	0.3
207.06523	0.4
211.09669	14.8
212.09941	0.2
213.11362	1.0
231.82988	0.2
238.84801	0.2
253.25638	0.2
259.61896	0.2
267.82101	0.2
271.06006	0.4
287.05524	4.7
287.13766	1.1
288.05865	0.6
294.07941	0.3
299.53479	0.2
348.43872	0.2
354.10672	0.3
431.17477	0.3
532.46918	0.2
603.20453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14595	0.5
53.50139	0.6
55.05497	0.7
67.58213	0.6
69.03394	1.0
69.41161	5.8
70.06580	1.6
72.08150	0.5
73.02906	0.5
75.00535	0.5
78.04693	1.9
79.05476	2.6
81.03432	0.7
81.07079	0.7
85.02899	1.7
86.09708	3.0
91.05483	3.1
93.07035	0.8
95.04964	1.4
103.05448	3.1
105.07035	4.7
106.04185	1.4
107.04955	5.0
109.02882	1.0
109.06515	0.6
115.05429	1.4
117.07013	1.1
119.04941	1.6
121.06499	1.6
123.04427	6.1
123.08069	0.7
124.05231	3.1
125.05991	1.1
127.03967	0.7
129.06993	0.9
131.04938	5.2
131.08537	0.9
133.06503	5.3
135.08022	1.3
136.06192	4.3
136.07629	0.8
137.05972	3.9
143.05682	1.8
144.05714	0.8
145.02901	0.7
145.06438	2.5
145.10129	0.8
147.04414	2.3
149.05946	0.9
151.03908	1.7
151.07535	3.9
152.04703	2.0
153.05469	0.7
154.05028	0.7
157.06572	0.7
158.07256	1.3
159.08057	1.3
161.05984	6.0
163.03937	0.8
163.07553	11.0
167.07045	100.0
168.07393	0.9
173.05949	1.2
173.09636	1.4
175.03886	1.1
175.07520	1.9
177.05484	2.2
177.09029	3.0
178.05959	0.8
179.07047	4.4
181.08592	4.3
187.07501	3.1
189.09265	0.7
192.07660	0.9
193.08614	15.3
201.09145	2.6
204.07640	0.6
205.08592	1.2
207.06477	1.4
217.08577	1.1
219.10207	2.2
233.11742	2.5
237.11224	3.2
251.12766	1.7
263.10651	1.7
280.98486	0.6
287.05539	1.6
290.74011	0.6
295.13327	0.8
323.12869	2.2
328.37610	0.6
330.19043	0.6
341.61761	0.7
355.15396	12.6
376.18652	0.6
387.18030	10.9
405.19046	19.9
416.14142	1.0
422.23990	1.9
584.29749	0.8
602.14319	0.8
603.16907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72245	2.7
53.03917	4.8
55.01868	4.1
55.05514	23.7
57.03424	2.5
57.07077	16.2
59.05001	3.1
60.57906	2.3
65.03931	5.8
66.15873	2.5
67.05505	35.3
69.03438	14.5
69.07072	26.7
69.31313	27.6
71.08630	3.8
71.44732	2.5
75.94794	2.7
79.05499	35.1
81.03419	5.8
81.06643	4.2
81.07066	46.7
83.04999	18.9
83.08618	18.9
85.10185	3.5
87.04451	5.5
89.06032	16.8
91.05473	64.4
93.07043	91.0
95.04977	26.7
95.08619	37.6
97.06529	16.0
97.10184	3.6
103.05415	5.7
105.07031	100.0
107.04932	3.3
107.08595	68.2
109.06530	13.2
109.10150	35.9
111.08060	5.4
113.09588	3.3
115.05469	8.7
116.06216	2.9
117.07036	25.3
119.08586	85.7
121.06502	10.9
121.09319	5.2
121.10148	84.2
122.10386	2.5
123.08057	12.0
123.11699	8.4
125.09618	12.2
128.06200	12.7
129.07025	18.6
130.07761	8.2
131.08568	48.3
133.06502	7.4
133.08580	11.4
133.10139	65.1
135.08058	21.1
135.11699	20.4
137.09627	10.0
139.11197	7.3
141.07005	10.4
142.07794	23.4
143.08551	47.3
144.09279	10.4
145.06476	3.9
145.10127	67.8
146.07268	2.9
147.08040	11.9
147.11707	23.2
149.09605	25.8
149.13252	4.5
151.07523	4.0
154.07796	3.5
155.08531	19.8
155.10634	6.4
156.09373	12.9
157.10121	49.3
158.10841	5.6
159.08080	16.2
159.11707	36.6
161.09641	12.2
161.13217	8.9
163.11177	10.9
165.07001	6.1
165.09111	7.0
167.08551	9.5
167.10686	57.0
168.09288	4.7
169.10130	25.2
170.10831	7.4
171.08084	3.4
171.11678	34.4
172.08989	4.6
173.09618	9.1
173.13261	24.8
175.11191	6.7
175.14764	13.1
177.11209	2.9
177.12691	3.4
179.08601	14.0
180.09326	7.5
181.10141	20.4
181.12096	4.3
182.10919	10.4
183.11653	26.3
184.12410	3.5
185.09648	5.4
185.13327	13.9
187.11127	5.6
187.14795	11.7
189.12735	7.4
191.14253	5.9
192.09315	4.8
193.10217	13.2
194.10884	9.5
195.11688	19.6
196.12411	9.2
197.13286	18.3
199.14830	12.9
201.12791	3.6
201.16353	7.3
203.14355	7.1
205.10262	3.1
206.10939	5.3
207.11670	11.8
209.13298	20.6
209.15161	5.1
211.14822	17.0
213.12772	5.1
213.16443	3.1
215.14339	4.4
219.11617	5.5
220.12308	2.6
221.13193	11.9
221.15388	11.9
222.13837	3.7
223.11148	3.6
223.14783	13.6
224.15720	3.1
225.12717	6.6
225.16382	8.3
227.14380	5.7
229.15848	4.8
231.11705	4.3
233.13191	7.9
233.15321	35.1
234.13847	3.2
234.16045	5.2
235.14833	10.0
237.16373	8.0
239.17992	4.7
243.11703	4.5
244.12392	3.4
245.13216	4.7
247.14720	5.5
249.16469	6.5
251.17949	6.7
253.19664	3.1
255.17398	5.4
257.18900	3.3
261.16287	5.6
263.17960	4.8
265.19382	6.4
269.19037	11.5
275.17947	7.5
277.19656	5.5
281.19061	4.4
283.20721	5.1
285.18665	4.6
291.21078	3.6
295.20642	3.8
299.20172	4.9
300.61182	2.8
331.20490	2.9
331.24048	3.6
333.22244	4.6
365.25082	3.5
565.40405	5.9
583.41217	8.6
601.43420	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	601.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.4
55.01875	2.2
55.05513	23.0
57.07060	8.3
59.04999	4.8
65.03939	4.8
67.05506	33.3
67.48843	2.1
69.03429	16.5
69.07069	28.6
70.85905	4.2
71.05003	2.4
71.08626	2.9
79.05492	29.1
81.03429	5.3
81.07059	40.8
83.04971	19.5
83.08633	16.7
85.06542	6.7
87.04462	4.6
89.06033	2.8
89.10974	2.1
91.04904	2.6
91.05479	63.2
93.07045	77.8
95.04974	23.2
95.08604	39.0
97.06524	11.8
103.05466	4.1
105.07034	100.0
107.04913	2.6
107.08595	74.5
109.06523	15.5
109.10152	35.0
111.08070	5.5
111.11781	2.3
113.09626	2.9
115.05443	6.6
117.07015	19.7
119.08585	86.0
120.09283	2.5
121.06490	10.4
121.10143	81.9
123.08092	13.9
123.11687	10.2
125.09602	12.0
128.06209	13.6
129.06992	19.9
130.07774	9.5
131.08569	42.3
133.06461	4.7
133.08617	2.7
133.10121	52.4
135.08069	15.8
135.11678	17.8
137.09615	8.7
138.58087	2.4
139.11191	4.1
141.06989	10.3
142.07768	23.7
143.08569	40.2
144.09314	9.0
145.06482	4.9
145.10123	72.4
147.08055	13.3
147.11708	23.6
149.09616	21.3
149.13269	4.0
151.07535	4.6
151.11134	3.1
153.06985	3.8
154.07713	3.6
155.08563	18.0
155.10612	3.9
156.09372	17.5
157.10146	49.1
158.10881	7.1
159.08067	16.7
159.11707	41.1
161.09613	14.0
161.13229	6.2
163.11183	9.6
165.06996	6.3
165.09129	7.4
167.08630	11.0
167.10686	59.3
168.09319	6.5
169.10117	30.3
170.10861	8.6
171.11699	32.2
172.12355	2.4
173.09656	4.6
173.13275	24.2
175.11139	5.1
175.14841	15.1
177.12709	3.3
179.08600	11.6
180.09273	3.8
181.10107	14.5
181.12167	3.3
182.10950	11.8
183.11676	28.5
184.12404	4.3
185.09627	4.7
185.13226	17.8
187.11192	4.6
187.14844	10.1
189.12756	8.0
189.16473	3.2
191.14349	6.8
193.10172	12.5
194.10844	10.4
195.11719	19.4
196.12360	7.0
197.13252	23.3
199.11205	4.3
199.14857	12.7
201.12753	6.5
201.16330	6.1
203.14323	5.6
205.10136	5.0
206.10789	5.0
207.11768	13.3
208.12421	9.6
209.13310	23.5
209.15167	4.4
211.11244	3.1
211.14919	12.3
212.15417	3.8
213.12727	3.9
213.16411	5.5
215.14313	7.5
218.11005	4.2
219.11705	5.3
220.12437	4.9
221.13234	12.7
221.15388	17.8
223.14784	16.0
225.12766	3.7
225.16347	6.9
227.14310	5.4
229.15929	3.3
231.11581	3.5
232.12416	3.1
233.13152	6.1
233.15314	29.1
234.15977	3.3
235.14766	7.2
236.15553	2.6
237.16357	6.7
239.14272	2.8
239.17955	5.6
245.13211	5.1
245.15434	3.7
247.14795	7.8
247.17023	3.0
249.12769	2.5
249.16356	7.8
251.17766	4.5
253.15823	2.5
253.19482	3.1
257.18912	2.6
259.14844	2.9
261.16342	5.6
262.17148	2.9
263.17996	4.7
265.16324	2.4
265.19476	5.6
269.18997	10.2
272.15488	2.6
273.18726	3.8
277.19553	3.9
281.19116	6.2
283.20499	5.6
287.17645	3.7
287.20358	3.3
295.20563	4.9
299.20023	7.8
301.21750	3.0
349.25381	3.5
361.25174	3.0
455.92404	2.3
565.40118	5.6
583.41412	6.9
601.34808	3.8
601.42096	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	601.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72245	2.7
53.03917	4.8
55.01868	4.1
55.05514	23.7
57.03424	2.5
57.07077	16.2
59.05001	3.1
60.57906	2.3
65.03931	5.8
66.15873	2.5
67.05505	35.3
69.03438	14.5
69.07072	26.7
69.31313	27.6
71.08630	3.8
71.44732	2.5
75.94794	2.7
79.05499	35.1
81.03419	5.8
81.06643	4.2
81.07066	46.7
83.04999	18.9
83.08618	18.9
85.10185	3.5
87.04451	5.5
89.06032	16.8
91.05473	64.4
93.07043	91.0
95.04977	26.7
95.08619	37.6
97.06529	16.0
97.10184	3.6
103.05415	5.7
105.07031	100.0
107.04932	3.3
107.08595	68.2
109.06530	13.2
109.10150	35.9
111.08060	5.4
113.09588	3.3
115.05469	8.7
116.06216	2.9
117.07036	25.3
119.08586	85.7
121.06502	10.9
121.09319	5.2
121.10148	84.2
122.10386	2.5
123.08057	12.0
123.11699	8.4
125.09618	12.2
128.06200	12.7
129.07025	18.6
130.07761	8.2
131.08568	48.3
133.06502	7.4
133.08580	11.4
133.10139	65.1
135.08058	21.1
135.11699	20.4
137.09627	10.0
139.11197	7.3
141.07005	10.4
142.07794	23.4
143.08551	47.3
144.09279	10.4
145.06476	3.9
145.10127	67.8
146.07268	2.9
147.08040	11.9
147.11707	23.2
149.09605	25.8
149.13252	4.5
151.07523	4.0
154.07796	3.5
155.08531	19.8
155.10634	6.4
156.09373	12.9
157.10121	49.3
158.10841	5.6
159.08080	16.2
159.11707	36.6
161.09641	12.2
161.13217	8.9
163.11177	10.9
165.07001	6.1
165.09111	7.0
167.08551	9.5
167.10686	57.0
168.09288	4.7
169.10130	25.2
170.10831	7.4
171.08084	3.4
171.11678	34.4
172.08989	4.6
173.09618	9.1
173.13261	24.8
175.11191	6.7
175.14764	13.1
177.11209	2.9
177.12691	3.4
179.08601	14.0
180.09326	7.5
181.10141	20.4
181.12096	4.3
182.10919	10.4
183.11653	26.3
184.12410	3.5
185.09648	5.4
185.13327	13.9
187.11127	5.6
187.14795	11.7
189.12735	7.4
191.14253	5.9
192.09315	4.8
193.10217	13.2
194.10884	9.5
195.11688	19.6
196.12411	9.2
197.13286	18.3
199.14830	12.9
201.12791	3.6
201.16353	7.3
203.14355	7.1
205.10262	3.1
206.10939	5.3
207.11670	11.8
209.13298	20.6
209.15161	5.1
211.14822	17.0
213.12772	5.1
213.16443	3.1
215.14339	4.4
219.11617	5.5
220.12308	2.6
221.13193	11.9
221.15388	11.9
222.13837	3.7
223.11148	3.6
223.14783	13.6
224.15720	3.1
225.12717	6.6
225.16382	8.3
227.14380	5.7
229.15848	4.8
231.11705	4.3
233.13191	7.9
233.15321	35.1
234.13847	3.2
234.16045	5.2
235.14833	10.0
237.16373	8.0
239.17992	4.7
243.11703	4.5
244.12392	3.4
245.13216	4.7
247.14720	5.5
249.16469	6.5
251.17949	6.7
253.19664	3.1
255.17398	5.4
257.18900	3.3
261.16287	5.6
263.17960	4.8
265.19382	6.4
269.19037	11.5
275.17947	7.5
277.19656	5.5
281.19061	4.4
283.20721	5.1
285.18665	4.6
291.21078	3.6
295.20642	3.8
299.20172	4.9
300.61182	2.8
331.20490	2.9
331.24048	3.6
333.22244	4.6
365.25082	3.5
565.40405	5.9
583.41217	8.6
601.43420	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.05508	20.5
57.07074	11.9
59.04991	4.9
63.33343	2.1
65.03932	4.9
65.58452	2.1
67.05501	34.6
69.03429	15.6
69.07063	22.1
69.28856	20.6
71.04990	3.3
71.08624	2.9
72.67653	2.4
75.47633	2.4
79.05132	2.7
79.05497	33.9
81.03395	3.4
81.06644	3.3
81.07063	41.8
83.04980	19.0
83.08609	14.3
85.06543	5.6
87.04384	2.2
91.05482	54.5
93.07039	78.0
95.04967	27.1
95.08605	48.3
97.06546	13.1
103.05438	7.1
105.07030	100.0
107.08591	70.3
108.08923	4.2
109.06528	18.9
109.10156	32.6
111.08119	3.4
111.11691	3.9
113.09604	4.8
115.05418	6.0
116.06214	3.8
117.07034	19.4
119.08582	87.8
121.06486	9.3
121.09315	4.2
121.10145	79.9
123.08063	16.1
123.11711	10.2
125.05975	4.2
125.09614	12.5
126.21055	2.4
128.06221	10.2
129.07028	17.5
130.07771	6.9
131.08574	41.6
133.06503	6.1
133.10132	60.0
135.08051	22.7
135.11717	21.8
136.08466	2.7
137.09616	12.8
139.11119	5.4
141.06989	10.0
142.07773	26.4
143.08568	45.9
144.09373	14.8
145.01886	2.0
145.06442	3.6
145.10126	65.4
146.10538	3.6
147.08075	16.9
147.11661	23.3
149.09630	20.6
151.07521	7.7
151.11116	3.1
153.07037	4.4
154.07684	3.7
155.08565	19.9
155.10538	4.2
156.09370	18.7
157.10123	64.2
158.10796	4.9
159.08051	16.1
159.11685	36.8
161.09604	15.5
161.13281	10.9
163.11163	10.6
163.14752	3.3
165.06985	6.0
165.09088	22.1
166.07811	3.4
167.08521	8.5
167.10690	40.0
168.09306	9.1
169.10094	28.2
170.10843	10.5
171.11703	36.2
172.12299	3.9
173.09616	7.1
173.13258	23.2
175.11198	11.1
175.14796	14.8
176.20987	2.2
177.12856	4.2
179.08614	11.2
179.10641	2.4
180.09308	6.3
181.08710	2.5
181.10115	16.1
181.12196	9.8
182.10854	8.0
183.11705	21.7
185.09694	4.1
185.13214	22.3
187.11169	4.7
187.14876	11.2
189.12718	9.1
191.14204	5.2
192.09290	3.4
193.10104	13.1
194.10905	9.8
195.11665	25.6
196.12428	7.2
197.13243	29.1
198.13596	2.8
199.11078	5.1
199.14774	16.3
201.12706	8.1
201.16417	4.1
203.14287	9.0
205.10049	3.9
206.10881	6.0
207.11681	15.2
207.13736	5.9
208.12379	6.8
209.09789	2.9
209.13246	24.2
209.15092	5.1
210.13837	6.7
211.14758	14.1
213.12703	6.7
213.16412	5.5
215.14339	4.5
217.10161	3.5
217.15845	5.4
219.11699	4.9
220.12378	4.6
221.13231	14.2
221.15375	50.7
222.13867	5.2
222.15755	5.7
223.14842	14.5
225.12630	5.2
225.16380	8.2
227.14317	6.3
227.17960	3.4
230.10709	2.9
231.11646	6.3
232.12399	3.8
233.13156	8.2
233.15384	18.6
234.13741	3.2
234.15926	5.0
235.14787	9.3
235.16893	3.4
236.15654	3.4
237.16484	4.7
239.17964	3.2
241.15939	3.6
243.17517	2.7
244.12421	2.6
245.13155	5.7
246.13937	3.3
247.14799	6.2
249.16364	5.5
251.17969	7.9
253.15727	3.3
253.19472	3.5
255.17392	3.9
256.17679	3.2
257.13202	4.8
257.19034	3.3
259.14716	4.7
261.16269	7.7
262.17096	3.7
263.18011	5.8
265.19540	5.1
267.17514	2.7
269.19116	11.7
271.20566	3.7
273.16135	3.3
273.18698	2.9
275.17926	9.8
277.19449	4.6
281.19092	4.3
283.20572	5.5
285.18726	3.4
286.19275	2.5
289.19284	3.8
293.19125	3.0
295.20514	6.8
297.22000	4.9
299.20230	4.6
300.20523	3.0
303.19534	2.5
335.23550	2.4
341.30731	2.4
347.23566	3.0
349.25171	6.1
352.23868	5.2
353.24228	4.6
367.26331	3.2
503.34641	3.1
509.35257	2.5
521.35669	3.6
565.40057	10.1
583.41174	15.0
601.36121	11.0
601.42340	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01842	2.4
55.05511	24.5
56.70450	2.3
57.07063	8.8
59.04997	6.0
65.03931	3.0
67.05505	31.5
69.03417	18.8
69.07062	26.7
71.04987	4.5
77.03926	3.2
79.05492	37.9
81.07050	51.4
83.04982	24.0
83.08617	18.2
84.83627	2.2
85.06520	5.9
91.04894	3.5
91.05472	62.4
91.06009	4.7
93.06461	5.6
93.07040	91.0
95.04961	26.8
95.08596	44.6
97.06525	13.9
97.10165	3.3
98.21512	7.0
103.05436	5.5
105.04502	2.4
105.07020	98.9
106.07347	3.3
107.04989	3.3
107.08592	82.4
108.08978	2.8
109.06505	18.4
109.10147	33.2
111.08077	6.2
113.06031	2.8
113.09640	8.2
115.05470	10.8
116.06160	3.2
117.07013	19.4
119.08579	100.0
121.06509	12.7
121.10136	98.5
121.11022	3.4
123.08069	14.5
123.11682	12.6
125.09624	15.0
128.06215	16.4
129.06982	22.0
130.07762	10.4
131.08565	41.5
133.06514	5.0
133.10127	73.2
135.08066	15.9
135.11667	25.1
137.09630	11.4
139.11151	9.4
141.06947	10.0
142.07797	21.6
143.08560	37.6
144.09364	7.4
145.06500	3.3
145.10124	79.7
146.10672	2.7
147.08028	12.9
147.11705	28.5
149.09610	20.6
149.13237	3.8
151.07523	6.6
151.11125	6.2
154.07718	3.3
155.08524	17.0
155.10675	6.6
156.09334	19.2
157.10123	54.7
158.07283	3.3
158.10815	8.2
159.08055	20.5
159.11694	43.7
161.09607	10.7
161.13269	9.2
163.11174	9.3
165.07022	7.4
165.09140	10.3
166.07710	3.4
167.08488	8.0
167.10669	70.9
168.09332	7.4
169.10109	30.6
170.10858	10.1
171.11682	37.4
172.12421	4.7
173.09660	6.7
173.13245	27.0
175.11169	13.2
175.14812	17.4
177.12724	4.1
178.07779	3.9
179.08525	14.3
180.09264	6.3
181.10081	19.3
181.12268	4.8
182.10927	9.8
183.11664	30.0
184.12381	3.5
185.09644	2.9
185.13220	22.1
187.11211	8.8
187.14844	12.8
189.12733	6.1
191.08685	3.4
191.14285	10.2
192.09351	4.1
193.10168	19.2
194.10901	9.7
195.11664	25.3
196.12477	8.1
197.13269	28.8
198.10420	2.5
199.11122	3.6
199.14735	16.4
201.12753	3.4
201.16423	11.2
203.14253	6.8
205.09969	3.7
206.10889	5.0
207.11652	15.4
207.13647	4.7
208.12447	6.1
209.13278	24.5
209.15192	5.1
210.14001	6.5
211.11229	4.0
211.14781	18.2
213.12820	8.3
213.16304	6.9
215.14330	7.8
215.91113	2.6
217.15924	3.3
219.11679	7.4
220.12344	6.2
221.13194	15.2
221.15378	21.4
223.14810	19.4
225.12709	5.7
225.16437	10.2
227.14279	8.8
229.81773	4.4
231.11694	6.1
231.17282	2.9
232.12395	4.9
233.13206	7.6
233.15327	42.6
234.13855	3.5
234.16003	4.3
235.14766	11.6
235.16887	3.3
237.12700	4.2
237.16373	9.3
239.14203	3.0
239.17961	4.8
245.13158	5.2
246.13976	4.7
247.14803	10.7
249.16428	7.5
251.14410	2.9
251.17908	6.1
253.19574	3.4
255.17291	4.5
259.14764	6.3
261.16327	8.8
263.17896	6.1
265.19604	5.9
267.17303	4.4
269.19028	11.8
271.14740	3.4
271.20264	3.6
273.16263	5.5
275.17810	6.7
281.18991	3.6
283.20676	7.0
285.18588	4.6
285.21744	2.7
287.20151	4.6
289.19449	4.5
295.20502	5.1
297.22110	3.6
299.20016	3.8
303.21259	3.9
331.24124	3.7
343.24078	4.2
350.05994	2.8
361.25323	4.2
432.73688	2.8
449.07626	2.6
454.36813	2.6
549.84857	2.7
565.40668	5.4
583.41443	13.0
601.42365	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	601.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07721	0.3
51.41280	0.4
54.42767	0.3
56.96563	0.3
69.03421	0.9
70.06580	0.6
81.03413	1.1
84.04514	0.6
84.08122	0.6
85.02888	1.6
87.06711	3.3
91.05475	0.5
97.02874	0.8
107.04955	4.1
119.04909	0.4
127.03941	0.9
135.04430	0.9
141.04047	0.5
143.05643	100.0
144.05347	0.4
145.02827	0.7
147.04414	1.9
163.03877	1.8
177.05376	0.7
207.06480	0.5
237.02841	0.5
303.11606	0.4
376.45908	0.4
439.14581	7.6
601.20398	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	601.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14731	0.4
53.03942	0.6
55.01868	0.8
60.64833	0.4
65.03928	0.7
65.42062	0.4
67.05495	0.9
69.03431	1.4
71.04995	0.5
78.04330	0.4
78.04727	2.1
78.05096	0.4
79.05487	2.3
81.03413	1.8
81.07051	1.7
83.04966	0.5
85.02908	1.2
91.05495	2.7
93.07052	1.3
95.04961	1.2
95.08582	0.7
97.02890	0.9
103.05479	0.6
105.03349	0.5
105.07021	1.8
106.04176	1.1
106.07319	0.5
107.04961	1.5
107.08584	1.1
109.02879	1.2
109.06540	0.8
109.10159	0.5
111.04446	0.5
111.08099	0.5
115.05431	0.5
117.07008	0.6
119.04969	0.7
119.08580	0.7
120.08076	0.4
121.02880	0.5
121.06527	1.0
121.10145	0.9
122.03708	0.4
123.04427	5.8
124.05203	1.4
125.09566	0.5
127.03907	2.0
127.50207	0.4
129.06993	0.7
131.04958	0.6
131.08563	1.2
133.06488	1.3
133.10130	2.6
135.04500	0.5
135.08063	0.7
137.06020	1.3
137.09608	0.9
141.07001	1.0
143.05664	1.8
145.02812	0.8
147.04439	1.1
149.06049	0.7
151.03906	1.7
151.07509	0.4
152.04704	1.8
153.05507	0.6
157.06569	1.0
159.08084	1.1
161.05994	0.9
161.09637	0.5
167.07051	100.0
168.07419	2.6
169.06383	0.6
169.09740	0.8
173.09747	0.4
174.06754	1.9
175.03900	1.1
175.07600	1.0
177.05493	1.4
179.07146	0.8
181.04974	1.0
181.08626	1.2
186.06766	0.5
189.09114	5.1
191.14343	1.7
193.08614	4.5
201.09102	1.7
207.06516	1.2
211.09668	2.8
219.10167	16.3
271.05893	0.6
287.05499	6.7
293.21249	0.5
463.37192	0.4
601.28625	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.3
55.95514	4.1
57.07078	9.2
67.05493	9.8
69.03422	7.8
69.07073	6.8
71.05032	3.9
71.27048	8.8
79.05476	8.9
79.38531	4.3
79.48748	3.7
81.07052	13.1
82.10312	4.0
83.04987	4.6
83.08603	4.7
89.06022	10.3
91.05499	14.4
93.07030	26.7
95.04937	8.1
95.08603	18.6
97.06550	5.4
105.07032	37.9
107.08572	26.6
109.06507	8.5
109.10159	6.0
117.07020	8.0
118.06014	4.2
119.08600	45.3
121.06519	6.6
121.10138	15.9
123.08064	13.8
125.05983	5.1
129.06998	4.9
131.08578	17.5
133.06471	6.2
133.10092	22.7
135.08051	14.3
137.09621	16.2
142.07854	7.0
143.08575	18.4
144.09462	4.7
145.10130	31.9
147.08049	23.2
149.09634	10.1
151.07596	12.1
156.09373	6.9
157.10123	33.6
158.10751	6.5
159.11699	12.4
161.09651	7.3
161.13225	9.6
163.11192	21.0
163.39854	4.3
165.09100	43.2
165.40530	5.0
168.09471	4.3
169.10139	11.5
171.08028	5.2
171.11720	16.3
173.09648	11.9
173.13303	7.4
175.11198	19.8
179.08508	4.6
181.10069	7.2
181.12245	15.5
182.10948	6.0
183.11737	16.0
185.13197	5.2
187.11189	5.4
189.12750	13.0
190.13559	8.8
193.12280	12.5
195.11569	6.9
197.09697	5.4
197.13243	11.9
199.11201	5.3
201.12717	6.1
203.14331	15.5
207.11678	7.1
207.13722	10.5
208.14589	8.0
209.13260	9.8
210.13881	5.4
211.14729	11.7
213.12645	7.2
216.08607	4.3
219.13896	8.3
221.13374	5.0
221.15358	100.0
222.15714	12.5
225.16371	5.5
230.48505	5.4
234.16214	23.1
237.12526	5.6
237.16331	5.9
247.16983	31.5
259.17105	5.6
274.19415	9.8
286.19162	6.0
287.20139	11.3
299.20026	14.1
311.19907	7.2
312.20767	7.3
313.21823	7.5
325.21634	16.6
331.09576	5.6
340.23993	14.5
352.23941	43.6
365.24847	7.2
387.25403	8.7
391.26236	5.4
413.26990	5.6
419.29294	8.7
425.26688	6.7
427.28430	11.1
440.29239	40.4
508.35037	6.3
520.35498	43.8
567.44983	5.6
600.41211	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	600.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
55.01871	2.1
55.05516	4.5
57.03438	1.4
57.07045	0.8
57.98810	0.9
58.99586	15.9
61.02930	0.7
65.03926	1.2
67.05507	10.5
68.99780	1.0
69.03433	4.1
69.07064	5.8
70.06591	1.4
71.05009	1.1
71.60152	1.2
73.02905	0.6
76.02230	75.6
76.03976	3.0
77.03909	0.6
79.05492	8.1
80.05035	0.9
80.17684	0.6
81.03418	3.8
81.07053	13.4
83.04981	2.8
83.06089	1.6
83.08623	2.5
83.25674	0.6
84.04509	13.7
85.02891	2.2
85.06511	0.6
86.99044	3.7
88.02215	1.6
91.05487	16.2
92.05812	2.6
93.07044	8.1
95.04979	3.5
95.08604	7.5
97.02899	2.1
97.06531	1.6
97.10178	1.7
99.05576	1.1
102.05529	0.7
103.05473	0.8
105.07035	10.1
107.04948	2.4
107.08620	6.4
109.02884	1.7
109.06528	3.1
109.10152	4.7
111.08065	1.6
114.03780	0.6
116.01678	21.4
117.07054	3.3
119.04945	8.5
119.08598	6.0
120.05281	3.0
121.06506	4.0
121.10161	5.0
123.04434	0.7
123.08061	2.1
123.11723	1.3
123.22060	0.6
125.09675	0.6
127.03943	3.7
129.01869	0.8
129.06659	2.2
130.04988	5.1
131.00804	0.8
131.08597	6.0
133.06499	2.6
133.10139	8.4
135.08051	2.2
135.11687	1.8
137.05957	1.6
137.09615	1.2
141.04770	1.1
141.06938	0.8
141.53917	0.6
142.03206	7.1
143.05666	2.1
143.08478	1.4
144.01154	10.1
145.10103	5.4
147.04414	7.4
147.08029	1.9
147.11664	4.8
148.04736	3.4
149.02312	0.9
149.09627	2.5
149.13243	1.8
151.11154	1.2
157.03967	0.6
157.10121	1.1
159.11685	2.9
161.05988	0.7
161.09601	1.9
161.13234	1.0
162.02211	41.5
163.03947	0.8
163.11163	2.2
167.07039	3.8
168.07332	0.8
170.02724	2.6
171.11659	1.3
173.09625	0.8
173.13266	1.6
175.03920	10.1
175.11250	1.5
176.04283	5.9
177.05479	2.1
177.12753	1.2
179.04858	100.0
180.07379	0.6
183.11594	0.9
185.13281	0.7
187.05376	2.7
187.11169	1.2
189.12674	1.0
191.14319	1.3
197.13268	0.9
201.12859	0.8
207.06526	18.5
207.13860	1.7
208.06857	13.3
215.04889	2.3
216.03511	0.7
219.13779	1.8
229.19540	1.0
233.05945	13.5
239.18039	1.4
245.05914	3.9
247.20587	1.1
257.19019	3.7
271.06000	0.7
272.06531	1.2
273.18521	4.6
275.20071	31.9
289.06946	0.8
290.08029	0.9
291.06296	3.1
291.19681	3.5
292.08972	1.0
293.21133	20.4
308.09094	30.2
321.64978	0.7
334.23679	1.4
351.20294	0.8
368.22498	7.7
378.20959	0.9
453.24173	5.8
471.25223	1.6
525.26288	2.9
600.16498	1.4
600.29285	7.0
600.39093	1.5
601.31958	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50319	0.3
53.03933	0.7
55.01862	1.3
55.05311	0.3
55.05516	3.5
55.97359	0.3
56.05029	0.7
57.07071	0.4
58.99579	0.8
61.01159	0.4
61.02921	0.6
65.03947	0.7
67.05506	8.6
68.05028	0.4
69.03429	2.1
69.07077	3.4
69.69358	0.3
70.03747	0.4
70.06582	0.3
71.04980	1.1
71.61029	0.4
73.01151	0.6
74.00660	2.1
76.02232	1.8
77.03955	0.3
79.05067	0.6
79.05490	6.8
80.05023	1.9
81.03414	1.8
81.07060	19.8
83.04975	1.1
83.06097	1.3
83.08622	1.9
84.04510	4.3
85.01125	1.1
85.02905	1.7
85.06509	0.4
86.00658	0.9
86.09663	0.4
86.99066	0.4
87.02654	0.4
89.03949	0.3
91.05481	9.9
92.05820	1.1
93.07042	7.7
94.06573	0.9
95.04961	3.1
95.08606	10.4
96.08130	0.4
97.01115	1.5
97.02917	0.8
97.06534	1.1
99.01427	3.7
99.02650	0.5
99.04471	0.5
99.05572	0.7
99.08091	0.6
100.02206	5.7
105.07039	6.1
106.06557	0.8
107.04991	2.0
107.06060	0.5
107.08598	5.4
108.08110	1.1
109.02885	0.8
109.06517	3.8
109.07655	0.4
109.10162	3.0
111.02654	0.7
111.08073	0.9
112.02196	7.8
113.00645	0.4
113.02967	1.1
113.04241	0.8
114.03751	6.6
115.05701	0.4
116.01733	1.6
117.07012	1.5
119.04949	4.0
119.08575	4.0
120.05267	2.4
120.08128	1.3
121.06538	1.7
121.10153	2.7
122.09674	0.7
123.02654	0.5
123.04424	0.5
123.08060	1.1
123.11708	1.2
125.04202	1.1
125.09634	0.5
126.03730	2.3
127.03912	1.4
127.05821	0.4
128.04268	0.4
129.01866	0.7
129.06685	1.1
130.05016	1.6
131.04993	0.4
131.08575	3.3
132.02101	0.5
133.06487	0.6
133.10126	2.9
134.09653	0.4
135.08072	0.9
135.10558	0.3
135.11696	1.7
136.03979	0.5
137.04228	0.6
137.05989	0.5
137.09630	0.8
138.03729	1.7
139.02100	0.4
139.03255	0.7
139.05812	0.6
140.05289	6.9
141.07204	0.5
142.03223	0.5
142.06805	0.4
143.05649	0.4
143.08565	1.1
144.01089	0.4
145.06227	0.5
145.10107	2.5
147.02744	0.4
147.03300	0.4
147.04396	4.3
147.08026	0.5
147.11688	2.9
148.04747	1.6
149.04236	0.5
149.09612	1.0
149.13297	1.7
151.05789	0.6
151.11143	0.4
152.05327	2.1
153.05487	0.4
153.06657	0.6
154.06868	1.4
157.10176	0.7
159.11702	1.4
161.05994	0.4
161.09520	0.5
161.13292	0.4
162.02238	0.8
163.11195	1.7
163.14819	0.6
165.12746	1.1
166.06870	1.5
167.07059	1.6
168.07051	0.7
168.08437	14.8
169.10211	0.5
171.11752	0.7
173.13269	2.2
175.03909	5.1
175.11093	0.4
176.04250	2.9
177.05573	0.5
179.04932	1.2
180.08487	0.6
181.06157	1.1
185.03818	2.0
187.05423	0.8
187.11163	0.5
191.14317	1.4
193.06226	0.4
193.12253	0.5
197.13263	0.4
202.04065	1.3
205.12294	0.4
207.06529	11.7
207.13887	0.9
208.06876	7.5
209.09329	0.4
209.15364	3.0
211.07553	0.6
211.41602	0.4
215.04938	0.5
216.05673	1.9
222.14932	0.7
229.19661	0.5
231.04356	2.8
233.05978	1.0
236.14658	1.4
236.16716	0.7
241.06400	1.2
247.20541	0.9
248.16534	0.4
255.08127	2.3
256.13623	0.6
257.19162	0.5
264.14182	6.3
265.14935	0.6
269.09598	1.9
270.10345	5.7
271.11099	1.2
275.20099	7.0
277.12558	0.4
281.14417	1.7
282.15228	28.3
283.05920	0.6
285.07492	0.6
287.05579	1.8
288.06149	0.5
292.08850	0.6
292.22781	0.4
293.21124	1.5
299.09344	0.4
307.17441	0.4
308.09259	1.0
309.13846	0.5
315.05301	0.4
315.08664	1.4
315.17877	0.4
316.09070	0.8
323.20267	0.5
324.19931	0.6
332.20383	0.6
333.18814	2.8
350.21512	9.1
351.19821	2.6
368.22519	12.6
378.21002	1.1
384.12115	0.7
384.17120	13.5
385.17932	3.4
422.67181	0.4
435.23087	0.7
453.24207	100.0
454.24664	2.3
479.25876	1.0
507.25272	0.6
525.26373	5.4
546.12299	0.4
582.28632	1.9
600.16266	1.6
600.30090	3.6
601.13306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17504	0.3
57.42498	0.4
62.25110	0.3
64.89391	0.3
69.03424	1.1
71.04988	0.3
72.08138	0.5
76.61701	0.3
81.03416	0.6
81.07016	0.5
85.02886	1.6
86.03224	0.4
91.05482	1.7
95.04996	0.6
97.02285	0.3
97.02869	0.7
100.11248	0.6
105.07018	0.7
107.04939	1.2
109.02824	0.6
109.06550	0.3
111.04406	0.5
115.05459	1.2
117.07032	0.8
127.03918	0.7
128.06215	1.5
128.07062	0.5
129.06995	5.1
131.04906	0.7
131.08566	5.7
133.06476	0.9
137.06000	0.6
141.06998	1.8
142.07770	0.5
143.08530	1.0
144.05740	2.1
145.06519	2.0
146.07243	0.8
147.04420	1.0
153.05440	1.3
153.06905	0.8
154.04942	0.8
157.06439	2.7
158.07179	0.5
159.08055	11.3
161.05962	1.1
161.09663	2.2
167.07037	3.2
169.06334	0.5
169.07623	1.4
170.07286	1.5
171.08012	2.2
172.05203	0.4
173.05952	1.2
174.06755	0.5
175.03876	0.9
175.07521	0.9
177.05545	0.6
178.06314	0.4
181.08659	0.5
182.15442	0.6
187.07565	7.9
189.05426	0.5
189.09091	3.8
191.06972	0.6
193.08659	0.5
198.06779	0.7
199.07521	1.0
201.05489	0.5
201.09082	0.4
203.07034	1.3
204.07837	5.0
205.08681	0.8
206.09367	0.5
207.06519	1.5
207.10040	0.4
210.97008	0.3
211.15210	0.7
216.07770	1.7
217.08447	0.7
218.09393	0.4
219.10172	2.9
221.08110	0.6
221.11732	2.1
231.10175	2.4
233.11678	1.1
237.11227	2.7
249.11223	100.0
250.11572	0.8
251.12712	1.8
258.98587	0.3
264.87054	0.4
265.11221	0.4
267.12271	3.1
333.94519	0.4
351.10745	0.6
365.74713	0.4
450.11667	0.4
499.20267	0.4
539.15002	0.4
599.42279	0.5
600.41962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77932	0.2
55.01863	0.4
60.19646	0.3
67.05491	0.5
69.03422	0.8
69.32236	2.4
69.32641	0.7
70.06567	0.6
71.04995	0.3
81.03421	0.4
81.07005	0.5
85.02901	2.3
86.09707	0.4
89.05968	0.3
89.82297	0.3
90.65231	0.3
91.05493	1.6
95.08607	0.6
97.02890	1.2
97.06520	0.3
98.21581	0.5
105.07010	0.8
107.04955	1.8
109.02845	0.3
115.05439	1.1
116.06253	0.6
117.07018	0.9
119.04984	0.4
119.08591	0.4
121.06511	0.4
123.04430	0.8
127.03911	0.9
128.06227	2.0
129.07016	5.5
131.04930	0.5
131.08574	6.5
133.06491	1.0
133.10129	0.8
137.05966	0.4
141.06978	1.6
142.07788	0.4
143.05672	0.8
143.08563	1.2
144.05673	1.9
145.04947	0.7
145.06485	1.7
146.07260	0.7
147.04393	0.8
151.03864	0.5
153.05620	0.3
153.06969	0.9
157.06505	3.2
158.07257	0.7
159.08066	11.5
161.06006	0.8
161.09618	2.4
162.07632	0.5
167.07063	3.5
169.07645	0.6
170.07254	2.1
171.08075	3.0
172.05162	0.6
173.05971	1.0
174.06723	0.9
175.07561	0.9
177.05530	0.4
179.06960	0.4
179.14256	0.3
180.08714	0.9
186.06686	0.4
187.07552	9.3
189.05452	0.8
189.09143	3.7
190.06258	0.6
191.07010	0.7
192.07820	0.4
193.08569	0.3
198.06714	0.7
199.07603	1.2
201.05418	0.4
203.06860	1.4
204.07811	4.9
205.08556	0.9
206.09442	0.5
207.06586	0.8
216.07780	1.6
217.08617	0.7
218.09401	0.5
219.10181	2.4
221.08217	0.4
221.11717	1.7
231.10225	2.5
234.09004	0.4
237.11205	0.9
249.11230	100.0
250.11470	0.8
253.07431	0.3
267.12228	1.0
287.05508	0.5
290.06223	0.5
290.41196	0.3
410.22235	0.5
503.11008	0.3
532.62830	0.3
589.30035	0.4
600.26422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3424
Annotation	Cyl-2
Peak:m/z	Relative Intensity
53.03926	2.1
53.46773	0.8
55.01859	1.7
55.05508	4.3
57.03436	2.4
61.02916	3.4
63.02374	0.9
65.03943	2.9
67.05500	13.4
68.99783	3.0
69.03427	14.2
69.07059	4.8
70.23140	1.9
70.23545	2.3
71.05007	4.8
77.03938	0.8
79.05489	4.7
81.03420	10.1
81.07056	16.4
83.04979	2.5
83.08630	2.3
85.02902	9.6
85.06525	1.9
89.03900	1.9
91.05479	37.3
93.07060	5.4
95.04962	3.2
95.08620	5.4
97.02895	5.8
97.06538	2.5
97.10199	1.2
99.04454	2.3
99.08069	1.2
103.05451	1.7
105.07026	11.4
107.04975	2.2
107.08589	6.3
109.02857	7.4
109.06507	2.6
109.10134	5.3
111.04432	1.3
115.05447	1.1
117.07008	0.9
119.04945	40.8
119.08564	7.8
121.06527	1.3
121.10146	6.7
123.04380	2.0
123.08047	2.1
123.11703	5.8
124.60460	0.8
127.03912	10.7
127.07590	1.1
129.01808	4.2
129.03314	1.0
129.06970	1.0
129.20715	0.8
131.08549	2.2
132.02094	1.6
133.06499	1.1
133.10139	3.9
135.04443	1.5
135.11705	1.1
136.63815	0.9
137.05978	2.2
143.05612	1.1
145.02867	2.0
145.04941	1.9
145.06456	1.0
145.10161	1.3
147.04410	34.3
147.11676	15.1
148.04840	0.8
149.02365	1.3
149.09637	2.4
151.03934	1.2
153.01913	1.0
157.03976	2.9
159.11674	1.3
161.05975	2.3
161.13237	1.1
162.03008	0.9
163.11279	1.3
164.04668	1.1
165.12732	9.8
167.07048	7.6
173.11798	1.0
173.13277	1.1
175.03908	57.8
176.04285	2.1
179.07079	2.8
183.13718	4.0
184.05240	0.9
187.07573	1.1
189.05571	1.2
191.14311	1.9
193.12213	2.0
199.07541	1.0
207.06525	100.0
208.06856	3.7
209.08012	1.0
209.15388	1.5
211.13268	2.8
215.07082	0.9
217.08609	0.9
219.06332	1.0
224.07556	1.0
227.12659	1.0
229.14343	15.3
245.08130	1.9
251.05440	1.2
251.08060	1.0
254.41096	0.9
255.06604	1.2
259.05896	1.1
263.09152	1.9
271.06232	1.0
271.09634	1.0
285.07574	1.1
291.08594	5.5
297.07492	1.3
301.07181	1.8
315.08728	7.4
333.09674	1.8
337.16376	1.2
351.11386	1.4
355.17606	5.4
373.18616	2.2
382.70856	0.9
518.61829	1.0
581.13550	1.0
599.16608	6.0
599.33936	2.9
608.61676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2502
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.20654	2.4
70.77971	2.4
79.05484	2.9
80.36578	2.6
80.89725	2.7
93.07053	2.8
101.81014	2.2
104.86632	2.6
143.16899	2.3
149.61725	2.5
222.11568	3.3
246.24251	2.8
338.16620	2.9
339.16013	3.6
351.16052	3.7
353.17819	6.1
354.18579	7.9
358.19461	3.0
363.16058	2.8
364.17365	4.7
365.18152	2.9
367.19403	2.9
368.19989	3.4
369.20706	12.8
379.19281	9.0
381.17059	4.0
397.20239	6.8
409.26477	2.6
425.19794	17.4
447.17889	2.8
451.21277	9.9
453.19360	3.9
456.25369	7.1
484.25110	4.9
508.37210	2.8
511.23325	8.5
512.24207	55.3
521.21997	5.1
539.22864	55.0
540.24054	3.5
599.25092	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01857	0.4
55.05517	0.7
57.03421	0.7
59.04999	0.9
60.47306	0.3
61.02930	0.6
65.03944	0.5
67.05502	3.7
68.99799	0.6
69.03429	2.1
69.07066	0.8
70.06552	0.4
71.04985	1.3
79.05503	2.3
80.03126	0.3
81.03416	3.2
81.07056	2.8
82.32388	0.3
83.04980	1.3
83.08612	1.0
83.21007	0.4
85.02914	1.8
85.06529	0.7
91.05487	7.2
93.07066	1.8
95.04966	1.5
95.08607	1.6
97.02877	1.1
97.06547	0.7
97.10217	0.5
99.04455	0.6
105.07037	2.1
107.08582	1.8
109.02877	0.7
109.06552	0.5
109.10155	1.5
111.08089	0.5
119.04946	6.3
119.08572	1.7
121.10139	1.2
123.08095	0.4
123.11687	0.4
127.03924	1.6
127.30814	0.3
129.01830	0.5
129.06993	1.0
129.72275	0.3
131.08594	1.8
132.02133	0.3
133.02875	0.4
133.10155	1.1
135.11679	0.4
143.08572	0.4
145.10117	0.6
147.04414	4.9
147.11700	1.6
149.09641	1.8
157.04005	0.4
157.06560	0.6
157.10143	0.8
161.05968	0.4
162.03175	0.4
164.04616	0.4
167.07033	1.4
173.11757	0.6
175.03922	9.4
175.11211	1.0
185.38100	0.4
193.12373	0.9
207.06534	19.4
208.06848	0.9
225.14914	0.7
232.47707	0.4
233.11562	1.2
267.15979	1.0
268.03317	0.4
283.06003	0.4
283.15170	16.4
291.08640	1.2
315.08731	0.9
339.17755	9.8
391.19803	0.4
599.34027	100.0
600.34448	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71142	1.5
53.65328	1.8
53.93603	1.8
55.01866	3.8
57.03414	2.6
60.35971	1.8
61.02905	1.7
67.05496	2.2
69.03424	7.6
70.06590	4.1
71.60665	1.6
71.61100	2.0
73.02916	2.2
74.06055	1.9
76.70329	1.9
79.05496	8.7
81.03408	16.2
81.07057	2.3
85.02906	17.9
86.09710	3.1
91.05469	6.7
92.67999	1.8
93.07038	3.6
95.04979	3.7
97.02879	5.3
98.97562	1.8
103.05470	3.2
104.34965	1.9
105.07021	5.8
107.04960	11.2
109.02869	5.0
115.05486	6.2
115.35169	1.7
117.07011	14.5
119.04920	3.7
121.02854	4.6
123.04436	38.1
124.04736	11.7
125.06042	2.4
126.10301	4.7
127.03911	7.2
129.07025	4.1
131.04927	3.3
131.08513	5.1
133.06526	2.7
137.05943	3.9
140.07130	1.9
143.05646	6.9
144.05644	4.0
145.02852	2.7
145.05049	4.5
145.06493	40.9
145.07655	3.1
147.04379	5.2
148.04684	2.0
149.05836	2.4
151.03880	3.5
155.06044	3.4
155.08087	2.0
156.05658	6.9
159.08080	8.5
161.05960	6.2
163.03836	3.4
165.05440	6.0
166.05885	1.9
167.07051	58.3
173.05989	61.1
175.03937	5.2
175.07585	2.4
177.05498	7.4
179.03581	2.2
180.08719	3.5
181.04901	2.0
187.07578	8.3
189.05389	2.8
190.06238	41.6
191.07126	3.3
202.06252	4.5
203.07030	8.8
205.08601	100.0
206.09041	2.1
207.06558	7.2
217.08588	44.0
219.10191	3.8
223.09555	2.4
235.09618	28.7
247.09752	5.2
265.10712	25.0
269.07742	2.2
271.06259	2.5
272.06393	2.4
297.07397	2.9
303.04926	6.3
304.05319	8.3
315.08493	4.3
323.12823	2.3
326.07239	3.1
330.11029	4.9
331.11993	2.2
351.12299	6.4
356.07773	2.0
371.14923	3.9
383.14835	12.8
394.10300	2.3
400.10846	2.5
401.16071	8.7
412.10840	3.6
424.10687	3.5
448.12491	3.3
466.11755	2.4
502.14026	2.6
514.13934	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	599.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.2
56.73932	0.2
57.03437	0.3
57.67968	0.2
58.99576	0.2
62.01584	0.2
62.77600	0.2
63.02379	0.5
67.05494	0.2
69.03434	1.5
69.07061	0.8
70.02934	0.8
70.03357	0.3
70.06595	0.6
71.04996	1.2
71.22914	0.2
72.05302	0.2
74.00676	0.3
75.04472	0.2
78.04704	0.4
79.05489	0.3
81.03434	0.4
85.02904	1.6
87.04470	0.2
89.03915	6.9
91.05468	1.0
92.01285	0.2
93.07030	0.2
95.04968	0.4
97.02888	0.5
98.06133	0.2
101.04279	1.1
103.05480	0.3
106.04171	0.3
107.08578	0.2
109.02908	0.2
117.03381	19.0
117.07059	0.2
118.10313	0.2
119.04919	0.2
123.04440	0.3
124.05180	0.3
127.03903	0.6
129.05498	0.3
134.03644	1.4
135.04411	2.0
136.06184	0.4
136.07584	0.4
137.05968	0.6
140.07054	0.5
143.05641	1.5
145.02847	48.2
147.04375	0.4
149.05978	6.8
154.05142	0.2
162.03096	0.2
163.03908	0.7
167.07019	0.6
170.06367	0.3
172.04276	2.7
175.07715	0.2
177.05472	100.0
178.05785	0.4
186.05544	0.9
187.07521	0.2
189.12865	0.2
211.07629	0.2
214.05219	0.4
244.06342	0.3
249.11201	0.5
261.08987	0.4
268.27274	0.2
288.05719	0.3
289.06015	0.2
313.07007	0.3
321.09763	0.7
339.10806	2.8
377.13708	0.7
387.03677	0.5
387.14352	0.4
388.03934	0.3
401.15494	0.2
423.14319	7.1
433.11105	0.2
599.18854	1.9
599.27075	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	598.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21276	1.0
55.01882	1.0
61.02915	1.7
65.03986	1.0
69.03428	3.9
69.54458	9.1
70.06602	1.3
71.04984	2.0
72.12254	0.9
79.05495	4.2
81.03423	12.9
82.20918	1.0
85.02905	10.1
91.03854	1.1
91.05477	4.1
95.04967	6.3
97.02905	2.6
103.05443	2.0
105.07050	2.5
107.04950	9.6
109.02853	2.2
115.05463	5.2
117.03444	1.1
117.07018	12.0
119.04935	2.3
121.02879	2.4
123.04433	16.6
124.04713	2.6
125.05981	1.2
127.03935	2.8
128.06175	1.7
128.18065	1.0
129.07031	1.9
131.04991	1.4
131.08554	3.9
135.04491	1.2
141.06979	1.2
143.05751	2.3
144.05685	3.0
145.05188	2.0
145.06488	32.3
147.04398	1.2
147.07938	1.1
149.05951	1.1
151.57742	1.1
152.04698	2.0
155.06053	3.4
156.05673	6.0
157.06493	2.6
159.08017	5.1
160.05153	1.2
161.05980	4.6
165.05571	1.4
167.07042	46.4
173.05988	54.6
174.06503	1.6
175.03918	2.5
175.07550	2.1
177.05432	2.2
180.08690	3.1
181.05011	1.6
184.05234	2.1
187.07533	5.8
190.06264	30.4
190.07982	1.8
191.03413	1.0
191.06970	1.7
193.08600	2.4
202.06311	2.8
203.07036	7.0
205.08606	100.0
207.06494	3.7
217.08592	39.8
219.08168	1.4
219.10162	4.0
221.08034	1.1
223.09702	3.0
235.09654	31.4
247.07466	1.8
247.09698	8.9
248.08333	1.3
265.07962	1.9
265.10712	27.7
269.07919	2.0
271.06079	2.8
271.09650	1.0
272.06415	1.4
282.08420	1.5
283.06033	12.3
284.06433	11.7
285.07315	1.8
287.05508	1.7
288.05890	2.1
289.05927	2.5
290.06342	1.4
291.10135	1.8
293.08011	1.3
295.06097	1.8
296.06390	4.5
296.09943	1.5
301.07062	2.1
309.07437	1.8
310.04495	1.5
310.07947	3.5
313.07059	8.9
314.07413	11.1
315.08554	5.2
319.09537	1.2
323.09192	1.1
323.12680	1.8
324.09744	1.5
330.10980	5.9
331.11771	3.3
336.10019	1.1
337.07062	2.5
338.07422	4.1
343.11926	1.1
350.07343	2.4
351.12201	3.6
362.07388	1.4
367.08167	1.4
368.08533	2.8
371.14841	2.9
379.07916	2.2
380.08429	4.4
380.30771	1.0
383.14886	12.2
388.09052	1.1
397.09180	2.5
398.09390	3.5
401.15976	11.0
415.10266	3.5
416.10663	10.2
448.11319	2.1
460.11075	2.2
478.12106	1.2
502.12079	5.4
507.00647	1.2
562.14148	2.4
580.15131	1.6
598.22815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.2
66.01118	4.9
67.05493	46.9
69.07076	8.9
71.04985	12.6
73.15405	5.0
79.05487	16.2
80.30479	5.1
81.07056	70.3
81.20216	5.6
85.06566	6.1
85.45930	5.3
91.05473	20.9
93.07026	28.3
95.08595	19.6
105.07049	13.2
107.08590	15.6
109.10184	10.3
119.08566	8.5
121.10118	12.0
123.11704	8.4
133.10201	8.9
135.11652	8.8
141.67491	5.3
170.25029	5.9
286.46683	5.5
301.20154	19.0
335.25900	46.9
461.84238	6.8
476.80591	6.2
503.37256	100.0
517.38324	6.3
561.41345	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3763
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
55.05507	2.9
57.03450	0.9
57.07052	1.0
58.17797	0.8
63.20025	0.8
67.05502	6.1
69.07066	1.3
71.60683	1.2
79.05505	5.0
81.07056	3.4
83.08633	1.2
83.18114	0.8
91.05470	2.3
93.07043	3.6
95.04950	1.9
95.08621	3.8
105.07012	2.4
107.08608	2.0
109.06500	0.8
109.10168	1.8
119.08563	2.2
121.10138	1.3
129.07042	1.0
143.08577	1.7
145.10152	1.1
147.11700	1.3
157.10123	1.2
157.14851	0.8
167.08514	1.0
171.11702	1.0
197.13315	0.9
247.13127	4.3
248.38138	0.9
303.15738	3.2
317.20905	2.6
373.23538	3.6
527.29761	1.1
595.89392	1.0
597.37604	100.0
598.38348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12829	1.6
53.03944	1.8
55.01871	2.9
55.05511	14.5
57.02803	1.7
57.03431	6.0
57.07072	3.8
67.05502	65.1
69.03410	2.2
69.07069	13.9
69.86205	1.5
70.96900	1.7
71.04994	2.8
71.60814	2.4
71.61184	1.8
73.02913	3.4
79.05128	1.1
79.05486	45.6
81.03433	3.5
81.07055	70.3
83.04959	2.3
83.08611	6.2
83.55767	1.9
85.02905	4.0
85.06516	3.5
91.05475	27.5
93.07040	56.9
95.04967	6.3
95.08601	55.8
97.06512	5.1
97.10168	4.9
99.04418	1.9
99.08111	2.0
103.48354	1.5
105.07027	19.6
107.07885	1.9
107.08595	37.3
109.02879	5.2
109.06538	2.2
109.10147	33.7
110.03661	3.5
111.08095	3.1
117.07001	8.8
119.08575	17.2
121.10129	34.4
123.08093	1.9
123.11697	14.6
124.30588	1.6
125.09631	2.8
127.03915	4.4
131.08566	24.1
133.10112	15.8
135.11681	25.6
137.13240	5.4
145.10115	18.0
147.11674	13.2
149.09663	2.2
149.13255	22.4
151.11252	2.1
155.08478	1.8
159.11664	15.4
161.13222	13.7
163.11165	1.7
163.14822	13.2
173.13228	15.0
175.14839	5.5
177.16373	4.5
179.14293	1.9
187.14815	7.1
191.00034	3.2
191.14339	2.0
201.16364	2.0
201.90762	1.8
215.17889	1.8
233.22597	4.0
243.21074	38.0
261.22147	100.0
263.23532	2.2
279.23190	3.5
287.05499	8.4
288.05917	11.5
335.25803	15.1
353.26938	34.9
369.24289	3.7
380.33615	1.7
382.64206	2.3
408.77005	2.3
449.68549	1.8
561.27069	7.7
595.45148	2.4
596.44739	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	596.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01863	7.2
55.05510	54.6
57.03434	17.2
57.07074	2.4
59.04986	5.4
61.02914	6.4
65.03951	3.0
67.05502	100.0
69.03407	5.9
69.07063	14.9
70.88195	1.7
71.01334	3.6
71.04979	4.9
71.61402	3.6
73.02913	2.4
74.57579	1.9
77.94986	1.6
79.05496	26.7
81.03423	18.4
81.07053	35.6
83.04978	15.5
83.08618	18.5
85.02508	1.9
85.02915	21.6
85.06538	3.8
87.04456	10.7
89.58610	1.8
91.05486	14.5
93.07050	17.2
95.04983	10.0
95.08596	15.3
97.02876	8.6
97.06533	3.0
97.10172	36.5
99.04454	3.1
103.03938	15.3
105.07015	8.6
107.04932	6.7
107.08585	18.6
108.27566	1.7
108.70536	1.7
109.06522	4.2
109.10151	78.6
110.78527	1.8
111.04426	4.2
111.08057	5.4
117.07062	2.5
119.08585	9.3
119.09351	2.0
121.10125	5.5
123.08093	3.7
125.09630	47.3
127.11176	2.7
129.05455	3.2
131.08531	4.9
133.10089	2.7
135.08041	3.0
135.11693	8.9
137.09674	4.6
143.10690	7.0
145.10112	9.3
147.11600	2.4
149.09596	2.9
153.01796	2.0
153.12660	12.6
155.10649	4.4
163.11209	15.3
173.09587	4.9
173.11732	35.1
181.12251	9.6
189.11176	3.1
191.10651	7.1
193.12218	6.2
199.13318	9.1
209.11755	10.0
217.14322	6.6
227.12747	16.4
229.14342	61.7
245.13913	4.8
257.13843	21.2
267.86401	2.1
283.15457	14.2
287.05457	17.6
288.05847	16.1
301.16434	44.7
319.17557	9.4
399.23788	4.8
475.85757	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02945	0.7
65.03926	0.8
67.05494	1.1
69.03433	4.9
70.02376	1.0
70.02658	3.5
81.03412	1.2
81.07100	0.7
85.02894	1.9
91.05481	15.1
93.07057	0.6
95.04967	0.9
95.08584	0.9
97.02885	1.2
99.04443	0.7
103.05455	1.1
103.29298	0.7
105.07027	1.2
107.08560	1.4
119.04100	1.5
119.04942	27.5
121.06455	1.3
121.10136	1.0
127.03902	2.2
132.02040	1.2
135.08121	0.7
137.05911	0.9
143.05556	1.4
145.02795	1.1
147.04410	26.2
149.09650	1.6
157.03969	1.9
164.04697	1.5
167.07065	2.3
175.03909	45.4
179.07028	2.2
181.04959	1.2
191.14287	1.4
207.06531	100.0
208.06920	1.4
209.15369	1.6
212.30331	0.7
225.07607	1.6
287.05515	12.6
287.08469	1.4
288.05777	1.1
303.58151	0.7
322.68988	0.6
346.05072	0.7
351.10657	3.7
369.11813	33.7
370.11963	0.8
449.11115	1.2
466.36765	0.8
489.80042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85978	0.7
55.01880	0.9
61.02935	0.8
65.03944	1.0
67.05492	0.7
69.03426	4.6
79.05490	0.7
81.03395	0.6
81.07023	1.1
83.04951	0.7
85.02885	1.6
89.03931	0.8
91.05482	14.3
93.07036	1.3
95.04986	0.8
95.08605	1.4
97.02947	0.7
98.21535	1.3
103.05478	0.5
105.07052	1.0
107.04998	0.9
107.08592	1.9
109.02878	0.6
109.06511	1.0
119.04944	26.0
119.08615	0.7
121.06497	1.6
121.10129	2.1
123.08066	0.8
127.03911	2.8
131.08549	0.5
133.10117	0.6
147.04413	25.1
149.09619	2.1
149.10866	0.5
149.13260	0.8
157.04010	1.8
163.14888	0.7
167.07050	1.9
173.13246	0.6
175.03911	51.8
177.05524	0.6
179.07036	1.9
191.14325	2.4
192.04129	1.1
207.06532	100.0
208.06859	1.4
209.15404	2.4
225.07420	0.9
287.05484	10.5
351.10641	5.0
369.11810	33.9
370.11972	0.8
449.10715	1.1
539.86163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91381	1.1
53.03936	1.9
55.01866	1.5
55.05519	10.1
57.03440	8.0
67.05505	36.0
69.03432	2.0
69.07075	10.5
71.04995	4.7
71.60608	1.3
73.02921	1.3
74.36626	1.0
79.05498	19.7
81.03422	10.5
81.07059	37.2
83.04987	1.5
83.08625	4.9
85.02901	4.1
85.06554	1.8
86.69805	1.2
91.05474	10.1
93.07047	22.4
94.56278	1.0
95.04970	4.2
95.08604	26.4
97.02922	1.5
97.06512	3.4
97.10185	1.4
98.98472	27.5
105.07038	8.4
107.08621	13.7
109.02871	7.8
109.06540	2.4
109.10162	9.9
117.07024	1.4
119.08598	8.0
121.10140	8.0
123.11713	4.0
127.03938	3.4
131.08575	3.6
133.10127	6.0
135.04425	1.3
135.11679	6.1
145.10123	2.5
147.11717	3.5
149.13263	4.0
153.01895	1.4
155.01038	4.0
159.11681	2.5
161.13280	3.5
163.06010	2.4
173.02141	1.8
173.13379	1.5
175.14825	1.2
243.21117	3.1
261.03668	8.2
261.22122	5.6
287.05493	54.4
288.05753	3.5
304.26422	4.8
317.24783	1.9
335.07498	3.0
335.25800	100.0
336.26157	2.2
449.10898	5.8
502.82172	1.1
528.53986	1.3
595.32990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1652
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03428	0.7
67.01863	0.4
68.99796	0.4
70.59084	0.2
70.67085	0.5
71.04993	3.2
73.09830	0.1
75.04456	0.3
76.53053	0.2
80.42323	0.2
85.02426	0.3
85.02905	3.9
89.03907	0.2
90.58094	0.2
97.74163	0.2
107.05013	0.2
111.04469	0.2
129.05476	0.8
135.04413	1.5
137.02309	0.5
142.61496	0.2
153.01834	3.6
153.03001	0.3
161.02382	0.6
171.02866	0.5
179.03319	0.3
241.04962	0.5
245.04587	0.2
269.04416	0.5
271.57965	0.2
276.87994	0.2
278.69534	0.2
287.05499	100.0
288.05658	0.2
382.51605	0.2
449.10825	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	595.1654
Annotation	Kaempferol-3-Glucoside-3''-Rhamnoside
Peak:m/z	Relative Intensity
52.15877	0.1
57.03419	0.7
58.52513	0.1
60.12424	0.1
68.99789	0.1
69.03403	0.2
70.17071	0.2
70.17471	0.4
71.04980	0.1
73.02558	0.1
73.02911	1.2
79.27537	0.1
85.02862	0.5
89.03922	0.1
97.02869	0.3
115.03847	0.2
135.04358	0.4
137.02299	0.1
142.47270	0.1
146.35060	0.1
153.01814	1.3
171.02812	0.2
181.78322	0.2
229.04785	0.2
258.05225	10.7
269.04462	0.2
271.05972	0.5
286.04700	33.2
287.05481	19.3
288.05734	0.3
301.07043	100.0
302.07376	1.2
397.09406	0.1
449.10748	0.8
463.12329	13.7
595.16034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36469	0.2
55.01865	0.3
57.03437	1.2
61.02921	0.6
68.99789	0.3
69.03412	0.7
69.91911	1.1
71.04993	8.3
73.02938	0.3
75.04462	0.2
81.03416	0.4
83.04949	0.3
85.02905	10.1
87.04463	0.3
91.05470	0.2
97.02890	1.0
98.21484	0.4
105.03385	0.2
107.04978	0.3
108.91547	0.2
109.02866	0.7
111.04410	0.4
119.04895	0.3
121.02867	1.3
127.03924	0.7
129.05473	2.2
133.02924	0.3
135.04420	0.4
137.02335	0.4
144.47620	0.2
145.04994	0.7
146.91463	0.2
147.04367	0.3
147.06522	0.5
153.01846	2.3
157.81003	0.2
165.01833	0.6
168.34459	0.2
169.01283	0.3
183.02902	0.7
185.05959	0.4
207.70972	0.2
213.05554	0.5
231.06522	0.4
241.04933	0.6
258.05222	0.5
286.04849	0.4
287.05499	100.0
288.05728	1.2
301.07007	1.7
347.07501	0.3
449.10745	2.4
458.53983	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	595.1656
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
50.34084	0.1
57.03414	0.2
67.01857	0.3
68.99799	0.4
69.51517	0.4
69.51942	0.8
71.04994	0.7
77.24397	0.1
85.02913	1.2
117.03336	0.2
129.05479	0.3
135.04428	1.4
137.02357	0.4
142.30679	0.1
153.01828	3.9
153.02997	0.3
161.02325	0.5
167.04924	0.2
171.02879	0.6
171.04276	0.2
179.03270	0.2
241.04961	0.3
260.66614	0.2
269.04352	0.3
271.05905	0.4
287.05499	100.0
288.05872	0.8
320.54633	0.1
323.42819	0.2
337.40894	0.2
449.10626	0.8
513.48865	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	595.1655
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
57.03438	1.2
57.54573	0.4
59.81893	0.5
71.04991	6.5
71.07488	0.9
71.07801	0.7
79.10876	0.5
85.02907	8.0
95.04882	0.5
107.04918	0.7
108.35213	0.5
121.02892	1.5
123.04432	0.8
129.05457	1.9
135.04449	1.5
137.02335	3.2
151.03949	1.2
153.01816	2.8
161.02394	0.9
165.01825	0.9
189.01733	0.8
191.03366	0.8
195.02809	0.7
203.03351	1.2
207.02782	0.8
213.05469	0.6
217.05020	1.4
219.02945	0.8
241.04883	1.0
259.06064	0.7
261.03946	0.7
271.06021	1.0
283.05978	2.5
284.06848	0.7
287.05490	100.0
288.05716	1.0
295.05939	2.9
297.07779	0.7
299.05518	14.8
300.06271	6.6
307.05795	1.2
308.06717	0.7
311.05600	3.4
313.06989	5.4
321.07681	1.1
323.05450	0.6
324.06091	1.2
325.07056	5.9
327.04929	0.8
329.06537	22.1
330.06689	0.6
335.09018	0.8
337.06937	3.8
339.08548	4.3
341.06482	1.2
343.08328	0.5
349.07034	1.2
350.07932	0.6
351.08545	1.5
353.06567	6.4
355.08081	2.8
359.07663	1.3
361.07181	0.9
363.08481	0.8
365.06403	0.8
366.07114	0.5
367.08051	3.7
371.07602	0.6
379.08249	2.6
381.09515	0.8
383.07849	3.0
391.07983	1.6
395.07626	2.7
397.09052	1.5
403.08133	1.0
409.09134	2.6
413.08749	5.4
415.10287	1.7
421.09329	2.7
427.10266	1.4
431.09714	7.7
433.11337	5.2
439.10345	4.4
449.10797	31.5
450.10944	0.9
457.11349	5.4
463.09607	0.9
475.03275	0.6
475.11969	0.8
481.11288	1.4
511.12308	2.2
523.12488	0.9
529.13574	1.3
541.12994	3.8
559.14496	2.1
577.15479	0.7
595.16583	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	595.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12450	1.5
55.01865	1.8
68.99792	8.8
71.04993	1.9
71.59230	1.5
81.03398	5.6
85.02893	2.3
85.26169	1.4
89.03853	1.5
95.04973	2.7
97.02912	2.1
107.04955	3.6
109.02866	3.8
111.00823	3.9
111.04422	3.1
119.04954	2.3
121.02900	2.9
123.04417	28.1
124.04682	1.6
127.03916	100.0
131.04909	2.3
133.02737	2.1
135.04404	29.5
137.02336	2.3
137.05965	2.1
139.03905	83.0
143.05611	3.6
145.02899	2.4
147.04388	6.2
149.02330	2.5
151.03918	18.3
153.01781	1.9
159.04419	3.9
161.06001	3.7
163.03915	43.8
165.05470	3.9
167.03426	6.5
169.04866	1.7
173.05992	3.2
175.03882	8.1
177.05461	5.3
179.03384	13.8
181.04930	3.3
185.05969	1.9
187.03888	4.1
191.03438	11.2
193.04958	3.8
197.05914	2.7
201.05508	7.8
203.03447	10.4
203.06918	2.0
205.04999	2.5
208.48155	1.8
213.05457	2.6
215.03380	2.4
215.07027	2.6
217.04881	3.5
229.04906	7.7
231.06476	1.8
233.04396	3.2
241.04927	3.1
243.06544	3.5
245.04425	9.8
247.06006	27.1
251.05540	2.0
257.04483	10.2
259.06027	6.2
263.05527	6.7
269.04370	2.2
271.06009	13.2
275.05490	18.3
283.06088	7.9
287.05511	32.1
289.07169	8.0
291.08609	4.4
299.05423	14.7
301.06998	9.1
305.06442	4.0
307.07983	2.2
317.06604	5.6
329.06454	4.3
339.08365	2.0
353.06500	2.0
409.09244	15.2
425.08673	9.6
427.10080	3.4
431.50119	1.8
437.08374	2.3
443.09561	5.7
449.10941	3.8
484.48373	2.0
595.19781	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01881	1.6
57.03434	2.6
60.94279	1.2
61.02901	2.2
69.67626	9.2
73.02920	1.3
73.59971	1.3
73.62797	1.3
85.02914	5.5
98.21465	1.4
103.03964	2.9
107.04965	2.3
109.02884	1.9
119.04902	6.4
121.02018	2.1
121.02866	28.5
135.04401	1.2
145.02841	3.2
161.05927	1.5
163.03908	1.4
179.03441	3.2
189.01872	5.4
191.03476	3.3
195.02875	7.4
201.05423	1.5
203.03371	10.1
205.04941	1.6
207.02905	9.0
209.28929	1.3
215.03510	1.7
217.05016	3.8
219.02888	5.4
219.06493	1.5
221.04449	2.8
225.53624	1.3
227.03404	2.6
229.05002	2.8
231.02853	2.8
233.04410	1.4
236.45724	1.4
243.02921	2.0
245.04433	1.9
255.03001	2.2
257.04382	2.1
257.59222	1.2
267.06424	1.6
268.07391	3.7
279.06488	4.1
280.07266	2.5
281.08023	4.5
283.06058	9.2
285.03882	4.0
291.06476	3.0
293.07916	2.6
294.05249	21.6
295.06015	80.3
296.06815	6.9
297.07602	8.2
307.06033	50.4
307.09573	2.8
308.06784	13.5
309.04172	2.6
309.07529	11.9
313.07025	7.3
317.08032	2.5
319.06097	5.6
320.06802	4.0
321.07581	26.1
322.08322	9.9
323.05472	3.6
323.09024	3.1
325.07059	99.0
326.07455	1.9
329.08090	2.4
331.09671	1.6
333.07553	10.0
334.08734	1.8
335.05399	2.8
335.09055	15.6
336.06155	2.5
337.07071	65.2
339.08734	2.9
345.07510	4.9
346.08685	1.7
347.09097	11.6
349.07034	36.4
350.07819	1.6
351.04935	1.5
351.08615	22.9
355.08109	23.4
357.07556	3.0
359.09274	1.4
360.06644	1.8
361.06989	18.8
361.10666	2.4
363.08582	7.9
365.06479	2.7
365.10245	11.6
367.08212	5.9
373.07275	7.7
375.08728	12.9
378.06494	1.8
379.08151	57.7
385.06976	4.1
389.10168	4.8
391.08066	31.7
393.09900	2.6
401.10199	2.5
403.08112	26.0
405.09360	1.6
409.09195	51.1
413.10156	2.0
415.08282	4.5
417.09668	3.1
421.09161	28.0
427.10339	41.2
433.09094	2.7
439.10172	29.9
445.09985	5.9
449.12039	1.7
457.11295	100.0
463.10269	7.4
475.12335	19.2
481.11288	27.3
487.10123	4.4
493.11319	4.4
499.12329	21.2
505.11401	6.8
511.12384	25.8
523.12421	26.4
529.13361	8.4
541.05548	2.3
541.13379	32.8
559.14478	26.2
577.15686	8.9
623.18591	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63254	1.6
51.25978	1.8
55.01858	1.6
56.96568	1.6
68.99795	6.1
70.05682	8.4
72.94070	1.7
73.38335	1.9
77.36694	1.5
81.03416	5.2
95.04971	1.9
98.21423	1.8
109.02882	3.5
111.00813	5.6
111.04446	1.7
121.02905	2.1
123.04432	28.9
127.03910	100.0
135.04393	4.2
139.02789	3.5
139.03897	68.7
143.05676	6.4
147.04379	12.2
151.03922	22.6
161.06007	2.2
163.03882	11.5
165.05492	5.6
167.03401	4.8
175.03885	16.6
177.05453	6.9
179.03381	33.7
181.04971	2.8
185.05864	2.0
187.03911	1.8
189.05470	2.0
191.03384	11.8
193.04979	4.0
199.03911	2.8
201.05522	4.2
203.03377	22.1
204.14116	1.7
213.05507	4.8
217.05014	3.2
229.05049	3.5
231.06537	1.8
233.04414	4.9
237.03041	2.8
241.04974	3.4
245.04475	7.2
249.49307	1.6
257.04504	9.4
259.06107	4.1
263.05478	5.3
269.04520	3.5
271.06039	3.5
275.05466	21.8
276.05856	2.2
277.07742	1.8
287.05508	54.7
291.08704	10.9
299.05469	15.0
305.06500	10.9
317.06683	9.4
329.06418	2.0
409.09229	7.0
425.08704	15.8
427.10248	2.5
443.09613	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	595.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14718	1.8
52.90279	1.7
55.01863	6.5
65.03951	2.3
66.19294	1.9
67.05509	2.7
68.64005	2.0
68.99790	7.6
69.03434	3.9
69.74137	9.2
69.74547	4.5
70.06585	4.0
71.99793	1.9
81.03422	7.9
83.01366	2.7
84.04538	2.5
85.02910	7.8
91.05522	4.5
93.03432	2.4
95.04975	5.3
97.02905	5.1
107.04972	6.6
109.02874	9.1
109.06523	1.8
111.00799	5.7
111.04450	7.7
117.03395	2.7
117.85397	1.7
119.04959	11.2
121.02870	27.8
123.04429	79.0
125.02358	8.0
127.03919	100.0
131.04915	3.8
132.90265	2.1
135.04416	47.4
137.02309	6.0
139.03902	86.9
143.03391	13.4
143.05705	14.2
145.02882	6.0
145.06554	2.4
147.04420	24.0
149.02364	5.8
149.05968	3.1
151.03914	17.5
153.01764	2.5
155.03407	9.8
159.04442	3.6
161.05998	6.6
163.03914	64.7
164.04285	2.0
165.01817	4.6
165.05545	10.1
167.03471	7.1
169.06389	2.6
171.04472	3.6
173.06009	5.9
175.03893	8.8
177.05443	9.7
179.03406	21.9
181.04997	4.3
183.02827	2.7
185.05945	3.9
187.03960	8.6
187.07610	2.3
189.01813	3.6
189.05499	6.7
191.03387	14.6
193.05017	5.5
195.02910	8.5
197.05980	4.8
199.03944	4.9
201.05540	8.7
203.03362	18.2
205.04997	6.7
207.02939	9.9
207.06639	4.1
211.03909	2.5
213.05498	6.4
215.03477	4.7
215.06990	3.7
217.05032	8.4
219.03052	4.2
221.04388	2.7
227.03384	3.4
229.04980	13.1
231.02841	4.0
231.06596	5.9
233.04402	6.6
235.05835	2.6
237.02769	2.1
241.05016	5.1
243.02969	2.1
243.06619	5.1
245.04459	18.9
247.06012	16.8
255.06473	3.8
257.04507	14.4
259.05984	10.8
261.03979	6.5
263.05566	6.6
268.07318	4.9
269.04449	5.2
271.06000	19.5
273.03958	8.9
273.07098	2.8
275.05438	11.9
277.06985	2.2
281.08139	2.6
283.05972	15.4
284.06787	2.4
285.04062	3.3
287.05515	54.2
289.06900	10.3
291.04977	10.5
291.08643	7.9
294.05341	12.5
295.06027	53.8
296.06677	3.4
297.07486	8.5
299.05392	14.3
301.07025	6.7
303.05032	13.6
305.06631	5.5
307.05832	25.2
308.06854	7.5
309.07733	6.7
313.07050	7.6
319.05939	3.4
321.07568	16.8
322.08438	8.2
323.05701	3.1
323.09128	4.8
325.07065	63.4
325.10989	3.2
333.07581	5.3
335.09204	8.5
336.05969	2.2
337.07022	35.5
337.10648	3.5
339.34235	2.0
345.07639	2.1
347.09125	9.0
349.06955	18.5
351.08701	14.0
355.08032	11.7
361.07050	11.3
363.08615	4.7
365.10153	5.4
367.07889	3.6
373.07120	3.4
375.08820	6.3
379.08105	33.6
385.06870	2.8
391.08075	16.3
403.08102	14.3
407.07532	6.8
409.09247	36.3
421.09259	16.0
425.08572	24.5
427.10294	29.5
433.10031	3.5
439.10239	19.4
443.09637	3.3
445.10492	2.5
457.11337	51.6
463.10208	5.6
475.12006	8.3
481.11337	18.4
499.12616	13.4
505.11282	4.3
511.12183	14.0
523.12238	13.3
529.13568	6.4
541.13629	14.4
559.14185	10.5
577.15167	3.9
595.16418	4.7
602.37244	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31461	1.8
55.01871	4.1
55.05517	18.4
57.03445	9.1
61.02917	2.1
67.05511	23.5
69.03427	4.4
69.07069	10.0
69.29047	14.9
69.29457	4.0
70.60954	1.6
71.04996	5.4
72.25476	1.6
73.12963	1.9
76.60648	1.8
79.05495	25.0
81.03420	53.0
81.07058	27.0
83.04980	8.8
83.08612	16.9
85.02905	4.9
91.05481	21.1
93.07046	20.5
95.04977	24.1
95.08615	11.3
95.56139	1.6
97.02919	2.5
97.06547	3.4
97.10186	18.2
105.07037	16.3
106.07327	2.1
107.04964	14.4
107.08596	12.9
109.06539	9.0
109.10148	7.6
109.40318	1.6
111.04482	1.8
111.08083	4.2
117.07020	5.3
119.08588	13.6
121.06506	13.5
121.10147	10.6
123.08099	4.0
123.11729	1.8
125.09644	14.9
129.07016	8.1
131.04941	2.7
131.08582	14.1
133.06483	4.3
133.10127	8.2
135.04379	2.0
135.08064	8.1
141.07037	2.4
143.08531	3.7
145.06471	5.0
145.10136	5.4
147.08083	4.4
147.11679	6.8
149.09616	6.4
153.01846	2.5
153.09076	3.0
155.08464	2.3
157.06445	2.0
157.10162	4.7
159.08037	3.3
159.11702	2.8
163.11229	3.1
167.10666	2.1
169.10126	2.2
171.08054	2.0
171.11665	1.9
173.09679	2.2
175.11194	6.4
177.12721	2.3
187.11125	2.5
189.11230	8.1
189.12730	2.4
190.96088	2.0
193.12210	12.1
206.43288	2.2
207.06471	2.2
211.13219	2.8
215.14305	4.2
219.13805	2.7
223.13266	2.5
227.12755	3.3
233.15434	3.2
249.14990	2.6
255.14124	2.4
267.15915	36.4
273.14835	6.1
275.20120	2.5
287.05502	51.9
292.19534	2.8
349.21591	6.4
357.24374	4.2
367.22672	24.3
385.19312	3.3
385.23779	34.0
397.26074	1.9
403.24890	9.1
441.26489	8.3
449.10727	5.3
459.27460	100.0
477.28500	83.8
491.30109	10.7
509.31326	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	593.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67879	3.9
53.03934	13.2
53.67476	3.6
55.01876	31.2
55.05516	43.6
56.96568	4.6
57.03447	20.5
65.03922	9.4
67.05178	7.3
67.05505	100.0
69.03424	12.1
69.07067	38.9
71.04969	16.8
73.02903	5.8
79.05489	85.2
81.03396	17.5
81.06587	4.8
81.07055	94.9
83.04973	27.3
83.08604	18.6
85.02887	11.0
85.06544	9.9
91.05467	73.1
93.06471	5.6
93.07041	72.7
95.04951	19.1
95.08593	47.8
97.02855	5.4
97.06535	37.1
97.10155	12.2
98.20699	9.3
99.08087	4.6
105.07030	58.3
107.04943	42.1
107.08584	52.9
109.06511	12.7
109.10136	27.3
111.04433	17.7
111.08070	14.6
117.07021	26.9
119.04930	5.2
119.08581	39.9
121.06507	10.1
121.10142	41.3
123.08063	9.7
123.11676	7.8
125.09625	12.2
129.07007	10.6
131.08563	27.6
133.10132	35.8
135.04407	7.5
135.08022	11.3
135.11707	33.1
137.09627	6.0
139.39508	4.2
143.08549	10.0
145.02843	6.1
145.10132	46.0
147.11690	19.5
149.09627	31.8
153.12675	7.1
155.08577	10.5
157.10153	5.9
157.30698	4.5
157.62468	4.5
159.08188	4.7
159.11699	15.8
161.13234	7.9
163.03886	43.6
163.11172	36.5
165.12733	7.7
173.09628	15.5
173.11723	4.3
173.13232	11.1
177.12691	4.3
181.12209	12.0
185.13226	4.8
187.11258	5.7
189.11220	9.6
191.10658	16.6
193.12257	5.8
197.13249	6.2
209.11658	11.1
227.12762	36.7
229.14278	5.0
229.19545	6.3
240.11507	5.4
247.20621	4.6
257.04468	6.0
257.18985	9.2
265.14316	31.6
267.15891	5.8
274.16989	4.2
275.20090	73.3
283.15387	32.4
291.19461	8.2
293.21243	7.6
301.16318	25.4
349.23672	24.5
501.32791	4.0
557.34546	17.0
575.35706	27.3
593.09998	6.7
593.35382	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	593.2752
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.70458	0.7
71.52558	1.5
93.30592	0.7
118.33854	0.6
157.91174	0.7
169.56020	0.9
189.65141	0.7
190.85611	0.7
326.67169	0.8
389.17648	1.2
402.18619	1.1
403.19241	2.1
405.20752	2.4
416.20142	1.7
417.21329	4.5
418.21506	1.7
419.22382	4.7
430.18365	1.2
431.18259	8.4
432.19385	2.9
433.24252	7.9
434.25024	1.6
445.19962	11.0
446.20651	5.9
447.21695	6.7
449.23624	1.2
459.21240	3.9
460.22543	17.2
461.23291	13.6
473.23569	3.4
476.25714	1.6
477.26923	1.1
487.24902	2.3
491.25027	0.9
492.25140	2.4
505.22012	9.3
515.24939	1.4
519.23901	1.8
533.25513	44.0
561.24243	0.8
564.23529	1.3
565.28027	2.0
593.27576	100.0
594.27661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82953	0.3
58.72558	0.3
70.86280	1.1
78.98216	0.4
102.50220	0.4
107.48438	0.4
158.13023	0.4
202.84251	0.4
210.61700	0.4
254.68343	0.4
300.14304	0.4
340.92462	0.4
388.16739	0.6
389.17734	0.6
390.18411	0.4
402.18503	1.1
403.19397	3.4
404.19836	0.7
405.20874	1.4
415.19424	0.7
416.20129	0.7
417.21069	3.8
418.21521	1.5
419.22186	3.1
430.17798	0.7
431.18115	7.1
432.18735	1.9
433.19095	0.5
433.24115	7.2
434.24493	1.5
444.18933	0.5
445.19919	8.8
446.20679	4.7
447.21570	4.7
459.21338	3.0
460.22565	14.2
461.23267	15.4
462.23996	0.6
463.21268	0.6
473.23724	2.9
474.24094	1.5
476.25699	1.6
477.21991	0.9
477.27448	0.6
487.25110	1.3
489.26273	1.1
491.24362	1.1
492.25223	1.4
504.20959	0.5
505.21902	5.7
518.23279	1.3
519.23859	0.8
533.25500	52.2
534.25659	3.3
547.26886	0.8
564.23578	0.7
565.28198	1.1
575.26501	1.0
593.27570	100.0
594.27948	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	593.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83928	2.1
53.03939	3.6
53.60905	2.1
55.01876	3.2
55.05514	21.2
57.03448	3.7
57.07071	8.4
63.04868	1.8
65.03928	2.6
67.05508	38.0
69.03429	9.7
69.07069	42.2
70.06601	3.7
71.01368	3.0
71.05003	5.4
71.08656	3.6
71.60580	1.7
73.02921	3.8
74.50513	1.9
79.05503	16.7
81.03436	7.3
81.07059	98.9
83.04999	4.9
83.08628	18.8
84.54636	2.0
85.02901	14.4
85.06541	4.5
86.09708	2.7
91.05479	21.6
93.07040	31.5
95.01350	6.0
95.04975	10.2
95.08608	100.0
97.02903	6.8
97.06536	4.6
97.10158	15.9
99.04451	2.9
99.08106	7.0
103.05483	3.1
105.07045	21.3
107.08600	52.4
109.02895	4.8
109.06536	3.3
109.10155	63.6
111.08105	7.7
111.11735	7.9
113.02345	2.4
115.27289	1.9
119.04966	6.9
119.08564	21.2
121.06532	5.8
121.10143	33.3
121.11008	2.2
123.04454	3.2
123.08080	5.0
123.11711	34.0
125.06001	2.3
125.09624	11.8
127.03940	6.1
127.11189	2.5
129.06950	2.5
131.08589	5.1
133.10123	13.7
135.11690	22.2
136.16270	2.2
137.05992	5.4
137.09616	3.4
137.13229	11.7
139.11150	15.3
141.01845	6.3
143.05640	5.6
143.08591	3.5
145.02821	3.0
145.10162	8.5
145.49864	1.9
147.04445	8.1
147.11710	11.9
149.05984	2.1
149.09671	2.9
149.13274	26.0
151.07533	3.0
151.11252	5.5
151.14807	10.8
153.12781	3.7
159.11673	9.4
161.06010	2.9
161.13266	12.6
163.11209	2.7
163.14825	13.1
164.90007	2.2
165.12787	7.4
167.07053	11.1
173.13234	6.5
175.03976	7.7
175.14822	7.2
177.05499	7.7
177.12956	1.9
177.16374	11.9
179.14337	5.9
179.17999	2.9
181.04999	4.7
187.14839	3.4
189.16368	7.5
191.17921	14.1
193.15982	3.9
195.17471	6.0
196.05875	2.1
197.10039	2.0
201.16388	6.7
203.18138	5.2
207.06523	13.4
207.17506	6.9
215.17973	7.6
219.17441	5.9
221.19038	2.8
233.18999	5.2
259.24139	12.6
266.76093	1.9
271.24182	17.8
277.25272	30.9
278.25513	2.3
279.92947	1.9
287.05746	5.2
289.25256	49.1
307.26324	6.0
309.27728	2.3
311.22040	2.7
363.28702	2.7
369.30209	5.2
381.30023	40.5
399.31058	6.6
508.99084	2.0
557.32532	3.0
593.19360	4.3
593.28833	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	593.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69025	0.2
55.05522	0.3
57.03420	0.3
65.03930	0.3
67.05497	0.5
68.99789	0.2
69.03430	1.5
69.07032	0.3
70.06594	0.6
71.04977	0.5
72.08151	0.7
79.05479	0.7
81.03429	1.1
81.07043	0.9
85.02924	1.6
85.06553	0.6
86.09723	0.5
87.00811	0.3
91.05492	2.7
93.07051	0.8
95.04977	0.3
95.08607	0.7
97.02881	0.8
98.20723	0.5
105.03426	0.4
105.07020	0.4
106.39344	0.2
107.01324	0.8
107.08593	0.6
108.02086	0.5
109.02882	0.9
109.10146	0.7
111.04419	0.3
113.65721	0.2
119.04927	0.7
119.08584	0.6
120.08013	0.3
121.06525	0.3
121.10111	0.4
123.04414	0.4
123.08088	0.2
127.03920	1.1
131.04913	0.3
131.08621	0.4
133.02827	0.3
135.04454	0.2
137.05962	0.8
143.05669	0.9
147.04410	0.7
148.05142	1.2
149.06029	0.4
151.03914	0.3
153.01854	1.1
157.06479	0.3
158.20409	0.2
161.05833	0.3
161.09697	0.3
163.07573	0.3
167.03464	0.3
167.06995	1.6
168.05724	0.6
175.03905	0.9
177.05476	0.5
184.03752	0.3
185.05978	1.3
192.04150	0.4
196.05226	0.9
197.05992	0.3
207.06512	1.7
213.05394	1.7
219.03114	0.2
223.03941	0.5
227.07008	0.3
241.04977	6.3
241.07477	0.3
255.06563	0.5
256.07300	7.5
257.04517	0.6
259.06042	0.9
266.05725	0.5
269.04477	3.1
271.06049	1.2
273.03955	0.5
282.05246	0.4
283.06039	0.5
283.09454	0.6
284.06802	28.2
285.04260	0.4
285.07422	0.9
287.05487	4.8
297.03909	0.3
299.05762	0.3
299.09103	0.5
300.06253	0.8
301.07065	1.0
309.27759	0.3
312.06284	22.1
313.06836	0.8
315.04968	2.6
315.08670	2.9
327.08630	0.6
329.06531	1.5
330.07346	22.3
331.07892	0.5
345.09702	100.0
346.10168	1.3
369.84747	0.3
373.09296	1.1
399.11102	0.3
431.13367	3.4
438.77328	0.3
467.54803	0.3
507.14749	1.4
549.19562	3.5
575.14136	0.5
593.15839	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	593.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
56.96533	1.3
67.05494	4.8
67.39812	1.0
69.03427	11.8
69.07057	4.0
71.04980	1.9
71.16011	2.9
72.08128	1.3
79.05495	2.1
81.03403	2.9
81.07066	7.2
83.04985	1.9
83.08613	1.5
84.34488	1.2
85.02901	4.6
85.06542	2.4
91.05476	22.1
93.07038	3.7
95.04958	2.6
95.08606	9.1
97.02884	3.6
105.07007	3.9
107.04981	1.8
107.08564	3.5
109.02885	3.2
109.06499	2.0
109.10155	2.8
111.08102	1.5
111.43542	1.2
119.04935	26.1
119.08559	2.4
121.10098	2.2
123.04441	2.2
123.08066	2.1
123.11658	2.2
127.03901	7.9
131.08562	2.1
133.10129	2.0
135.11678	1.7
137.05963	3.2
137.09708	1.4
143.05615	2.4
145.02795	1.7
145.10109	2.3
147.04414	27.7
147.08009	1.6
147.11707	2.3
149.09650	2.3
151.07538	1.6
157.03961	2.5
167.07077	9.5
175.03911	51.5
176.04306	1.3
177.05440	2.5
179.06987	3.0
181.04982	1.6
184.05507	1.4
189.12708	1.9
207.06531	100.0
207.13826	3.9
208.06917	1.4
225.07556	1.7
257.04291	2.0
273.17038	1.2
285.07260	2.6
351.10605	5.0
364.61960	1.2
369.11826	15.1
374.92371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.4
53.03919	0.4
58.17670	0.4
59.17187	0.3
60.08164	45.5
62.01606	0.4
65.03915	0.8
69.03429	11.2
69.03806	0.7
69.91093	0.9
69.91494	1.4
77.03940	0.4
81.03394	0.5
81.95665	0.4
85.02874	0.4
91.05480	17.0
95.04971	5.4
95.08641	0.4
97.02871	1.2
97.93733	0.3
99.04408	0.4
103.05471	1.3
109.02860	0.9
118.04166	0.5
119.04940	39.4
121.06516	0.8
123.04429	17.2
127.03918	4.3
129.03307	0.4
131.04872	0.5
132.02066	0.5
136.05257	0.4
145.02893	0.4
145.06487	0.5
147.04410	35.9
147.77518	0.4
157.03946	2.3
159.08069	0.4
161.05922	0.9
164.04620	0.5
165.05472	15.5
167.07051	1.1
173.03650	0.4
175.03906	55.5
179.07013	2.1
185.43625	0.4
192.04155	0.9
201.05531	0.4
207.06525	100.0
208.06937	1.2
219.06531	1.2
224.12810	10.4
225.07649	1.1
235.06012	0.7
245.08000	0.6
261.07587	0.9
263.09241	0.7
291.08716	1.8
346.99841	0.3
351.07498	0.3
351.10764	14.3
369.11807	30.3
386.18042	0.5
421.06171	0.4
495.87009	0.4
592.23907	39.4
593.24524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
60.08164	39.8
60.70710	0.4
65.03934	0.8
69.03429	12.1
69.44506	4.2
70.06554	0.8
76.02219	0.8
77.03922	0.8
81.03400	1.2
85.02890	0.9
90.36888	0.5
91.05483	16.9
95.04969	4.6
96.04462	0.9
97.02863	1.6
99.04446	0.6
103.05429	1.5
103.45083	0.5
105.07026	0.7
109.02892	0.9
109.06467	0.6
114.05500	1.9
118.20790	0.5
119.04942	36.4
120.05260	0.5
121.02822	0.8
121.06570	0.6
121.48195	0.5
123.03577	1.0
123.04430	15.7
127.03925	5.6
131.04941	0.8
132.02110	0.8
133.06444	0.5
143.05627	1.2
145.02827	0.9
145.06415	0.5
146.03557	0.5
147.04408	35.0
151.03941	0.7
157.03947	1.8
161.05960	0.6
163.03821	0.5
164.04745	1.0
164.07054	1.5
165.04166	0.9
165.05489	14.6
165.06885	1.0
167.07063	1.5
169.06407	0.9
175.03909	52.8
177.05446	1.7
179.04858	0.8
179.06961	2.4
187.07581	0.6
191.06960	0.6
192.04198	0.8
193.08542	0.5
203.07234	0.6
207.06525	100.0
219.06558	1.3
224.09169	1.4
224.12778	3.9
225.07513	1.3
245.08104	0.8
261.07703	1.1
263.09152	1.4
289.06964	0.5
291.08664	1.7
307.75961	0.5
308.09250	0.6
333.09528	0.6
337.06842	0.6
351.10742	13.8
369.11819	29.1
384.49881	0.5
430.15018	1.2
441.55011	0.5
592.23920	43.9
593.24731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.5
55.01867	8.1
55.05510	24.3
57.03437	10.0
57.07076	8.0
59.04987	2.8
61.02922	3.9
61.86070	2.4
67.05506	36.5
68.99797	2.8
69.03435	29.5
69.07072	70.0
70.06591	7.8
71.01352	3.2
71.04993	10.3
71.08624	2.5
73.02934	5.9
79.05492	22.1
81.03424	20.2
81.07062	100.0
83.04987	8.0
83.08614	13.8
84.08163	3.4
85.02911	54.0
85.06541	20.7
87.00848	14.3
91.03941	3.0
91.05486	24.8
93.07046	51.6
94.18661	2.1
95.04984	14.3
95.08607	79.3
97.02898	23.8
97.06548	8.5
97.10181	15.5
99.04470	8.6
99.08099	16.4
103.03957	2.8
105.01852	13.5
105.07030	28.5
106.89997	2.1
107.04979	3.6
107.08594	47.7
107.18990	2.2
107.45078	2.2
108.28358	2.5
109.02909	17.3
109.06544	6.0
109.10166	41.5
111.08102	12.1
111.11715	12.7
112.07627	5.7
112.83372	2.2
113.09635	2.7
115.05512	2.4
117.07037	2.4
119.04959	7.4
119.08587	25.2
121.02887	2.5
121.06521	2.8
121.10143	44.4
121.11016	2.4
123.04423	6.2
123.08083	6.0
123.11726	34.4
125.09630	4.5
127.03918	29.5
127.07610	3.2
127.11127	2.8
131.04970	3.8
131.08577	3.7
133.06505	4.4
133.10149	14.6
135.04530	2.7
135.11690	36.1
137.02328	4.3
137.05974	8.6
137.09538	2.7
137.13264	11.1
139.11186	23.8
140.07095	3.1
143.05656	15.7
143.08560	3.7
145.02817	4.8
145.04985	9.5
145.10146	9.3
147.04437	7.4
147.11700	22.6
149.06023	4.9
149.09644	3.5
149.13281	24.4
151.03940	7.7
151.14839	4.1
153.01874	4.3
153.12755	18.1
157.10054	2.7
157.12212	3.5
159.02916	5.0
159.11693	14.8
161.13245	12.0
163.03978	4.6
163.07571	3.1
163.14874	8.1
165.12810	7.6
167.07036	10.0
171.11678	3.5
173.13235	7.9
175.03975	8.1
175.07530	2.2
175.14835	4.4
177.05487	7.6
177.16388	16.5
179.14348	3.0
187.11353	3.3
187.14850	3.9
189.16367	5.3
195.17471	9.2
201.12662	2.5
203.17917	2.7
207.06590	18.2
213.16740	2.8
213.18449	13.4
215.18015	4.0
226.98692	2.9
231.04988	5.8
239.20001	3.4
271.06070	2.7
271.24200	3.8
277.25323	12.5
283.06036	2.7
287.05505	19.3
287.23856	3.3
289.25275	26.3
295.26276	23.2
305.24811	6.8
307.26328	41.2
323.25970	3.2
325.27362	30.5
343.28433	4.8
367.28250	2.7
379.28238	4.3
397.29037	4.2
591.25885	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	591.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.7
55.01677	2.0
55.01876	24.4
55.05268	3.9
55.05512	51.4
57.03431	11.2
57.07062	6.4
59.04989	4.0
62.78251	2.3
64.63639	2.4
65.03934	5.6
65.81697	2.4
66.92640	3.1
67.05506	100.0
69.03431	11.4
69.06733	2.6
69.07072	33.6
71.04993	16.6
71.60191	4.2
73.02914	3.8
76.82141	2.2
79.05495	86.0
81.03423	23.7
81.07058	92.1
83.04981	23.5
83.08644	27.1
85.02876	5.6
85.06533	7.9
91.05482	71.9
93.06486	4.6
93.07048	79.7
95.04970	34.2
95.08608	41.9
97.02895	14.7
97.06538	24.6
97.10168	25.2
99.04470	5.5
103.05419	2.6
105.07037	58.3
107.04967	32.2
107.08596	45.7
109.06529	15.2
109.10155	29.0
111.04438	22.3
111.08095	12.9
115.05424	4.2
117.07021	25.9
119.07807	3.6
119.08588	44.4
121.06499	13.5
121.10151	40.6
123.04441	5.4
123.08070	12.0
123.11698	7.1
125.05994	4.8
125.09645	21.6
128.06227	5.4
129.05460	4.4
129.07019	15.5
131.08557	33.5
131.34914	2.3
133.06483	8.2
133.10107	23.2
135.08080	17.4
135.11693	23.5
137.09602	8.9
139.11121	3.3
141.06979	4.0
142.07793	4.1
143.08557	17.2
145.06473	9.3
145.10138	35.5
147.08078	15.0
147.11687	22.5
149.09605	22.7
149.13298	3.6
150.05669	2.4
151.11183	4.6
153.09013	3.5
153.12712	11.4
155.08530	8.4
157.10143	13.6
159.08018	4.7
159.11703	10.8
161.09604	11.7
161.13269	6.8
163.11174	34.8
165.12720	4.7
169.10107	8.1
171.08038	3.8
171.11656	12.2
173.09633	16.0
173.10960	2.4
173.11768	4.9
173.13202	4.4
175.11183	9.7
177.12740	6.5
179.10831	2.8
181.10129	3.0
181.12218	13.8
183.11713	3.2
185.13260	8.5
187.11253	4.2
189.11186	11.3
191.10664	21.7
193.10294	2.4
193.12212	8.8
195.11688	4.6
197.13313	4.9
199.11092	2.8
199.13321	3.5
201.12811	3.4
205.12296	3.3
209.11696	9.9
211.13295	4.9
219.13737	3.5
223.13313	9.9
225.14928	3.0
227.12785	40.1
241.14372	3.1
243.15860	3.0
249.14847	2.9
257.18820	2.4
259.15460	5.0
259.20599	5.6
265.14343	19.8
267.15921	6.6
273.18564	31.6
275.20111	9.3
281.19019	2.7
283.15387	20.1
285.22037	3.1
291.19559	88.1
299.19922	3.4
301.16418	3.6
301.21658	2.8
313.21484	3.6
315.23047	4.2
317.20895	3.9
333.24258	5.9
347.22165	12.2
349.23831	5.2
365.23337	5.4
431.29257	3.1
447.27585	3.2
449.30460	3.9
467.31512	5.0
485.33182	3.9
523.35101	4.0
541.35260	25.1
555.32764	5.6
559.36310	14.8
573.34528	15.8
591.35083	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	591.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01863	5.2
55.05513	30.0
57.03445	8.1
57.07066	11.8
57.20419	3.1
57.41102	3.0
61.02930	5.4
67.05507	33.1
67.81456	3.4
69.03427	13.1
69.07065	48.7
70.02345	19.8
70.06594	5.8
71.04981	4.1
73.02926	6.2
73.12656	3.4
75.05794	4.2
77.62791	3.0
78.15272	3.3
79.05480	17.8
81.03412	13.7
81.07061	71.1
83.04979	5.0
83.08623	19.9
85.02924	19.2
85.06528	9.7
86.09673	4.5
91.05479	26.0
93.07046	37.8
95.04968	13.3
95.08611	100.0
97.02911	11.1
97.06542	13.3
97.10168	23.7
97.79124	3.4
98.21386	5.4
99.04472	4.5
105.07037	26.7
105.07648	3.8
107.08595	41.4
107.12579	3.5
109.02894	5.3
109.06530	6.1
109.10148	34.1
111.08086	13.7
111.11744	6.0
117.07047	5.0
119.04933	7.1
119.08590	24.3
121.10140	30.2
122.22507	3.6
123.08086	6.9
123.11691	25.4
125.09643	4.3
127.03934	5.4
131.08571	10.4
133.06512	5.6
133.10132	15.8
134.99747	3.6
135.04420	3.9
135.08127	4.4
135.11690	23.1
137.05988	18.9
137.13271	16.2
139.11203	5.3
143.05638	7.4
143.08582	4.1
145.02869	3.9
145.10130	9.7
147.04407	10.1
147.11690	10.5
149.05974	3.9
149.13242	26.1
151.11197	4.8
153.12738	7.9
157.10165	3.3
159.11688	5.0
161.05998	7.7
161.13292	6.7
163.03937	4.6
163.11177	4.5
163.14845	8.2
165.12810	3.9
167.07019	10.6
167.78857	3.5
173.13350	3.8
175.03949	9.4
177.05460	12.0
177.16373	5.7
179.03381	4.6
181.04950	4.8
183.11595	3.9
187.07492	3.9
189.16371	5.1
193.04942	11.0
193.08543	7.7
195.17404	3.7
205.08443	4.0
207.06516	15.6
208.06886	4.0
217.19482	5.4
250.78101	3.8
255.15881	4.9
258.05289	7.7
275.13965	6.3
275.23654	4.0
277.25220	5.3
286.04636	19.5
287.05414	24.6
287.23734	6.1
287.91891	3.7
288.05585	3.9
293.24664	6.3
305.24759	41.1
307.26373	4.8
367.28406	27.2
379.28433	35.0
385.29376	11.5
397.29514	40.3
429.11414	18.0
591.17426	4.3
591.33838	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	591.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01868	7.0
55.05512	20.4
57.03443	8.7
57.07079	6.1
64.89391	3.9
65.03932	4.5
67.05514	25.3
69.03434	28.4
69.07072	100.0
70.06583	7.5
71.04985	10.9
71.61034	6.0
72.08138	5.5
76.02203	4.4
79.05499	16.3
81.03432	19.9
81.07059	63.8
83.04972	8.2
83.08627	10.6
85.02904	37.5
85.06535	13.5
86.09698	5.2
87.00844	7.9
91.05493	33.6
93.07039	30.5
95.04971	18.7
95.08616	42.7
97.02905	21.2
97.06533	11.8
99.04450	11.0
99.08114	5.4
103.05448	4.6
105.01864	5.1
105.07033	25.0
107.04944	5.0
107.08600	26.3
109.02853	19.7
109.06501	9.5
109.10175	33.9
111.08114	6.1
111.11739	23.8
113.05984	4.8
119.04952	11.2
119.08591	19.9
119.81502	3.9
121.02895	3.6
121.06577	4.8
121.10137	21.6
123.04427	7.0
123.08054	7.3
123.11710	27.1
124.07621	4.5
125.05983	4.7
125.09647	5.9
127.03936	26.6
131.08592	8.8
133.06470	3.8
133.10149	7.6
135.08055	7.1
135.11708	10.9
136.06676	4.2
136.07550	24.4
137.06010	7.9
137.07927	4.3
137.09586	4.2
137.13264	5.6
139.03888	4.0
139.11197	29.9
143.05690	20.4
143.08551	4.5
145.02859	4.4
145.04970	10.6
145.10126	6.3
147.04420	14.2
147.11696	10.4
149.05968	5.8
149.09576	4.3
149.13231	8.4
151.03867	10.0
151.07491	8.7
151.11192	4.2
151.14851	5.1
152.07121	5.9
153.01863	4.8
153.12764	5.3
157.12195	8.3
159.11681	9.5
161.05951	3.8
161.09608	4.7
161.13278	7.1
162.05467	4.2
163.03973	6.3
163.11159	6.1
164.07098	18.0
165.07481	5.7
167.07079	17.0
171.97746	3.9
173.06107	3.8
173.13266	5.2
175.03882	10.6
175.07561	5.6
177.05464	18.3
179.07022	4.7
179.14348	4.7
181.04970	6.3
187.11261	5.6
189.16420	3.7
191.07031	5.1
191.10857	3.6
207.06566	24.4
223.05960	4.3
237.18401	4.2
238.45235	4.3
256.31085	3.5
270.08789	3.9
275.13986	4.2
277.25214	6.3
280.62433	3.7
287.05411	11.6
289.25253	7.1
295.26340	27.8
307.26300	53.3
309.14780	3.6
315.13358	4.6
325.27405	17.6
390.20294	4.0
429.11691	5.2
591.24310	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	591.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
53.84224	0.3
55.01855	0.3
58.16833	0.3
61.02906	0.5
67.05479	1.1
69.03397	0.8
69.38744	2.0
69.39159	0.7
70.06577	0.7
72.37885	0.3
73.02905	0.3
75.37013	0.3
77.03919	0.5
79.05468	1.0
80.05011	0.3
81.03418	2.4
81.07039	1.2
85.02884	1.2
87.06723	2.6
91.05476	2.5
93.07050	1.7
94.06571	0.9
95.04983	1.5
95.08566	0.6
96.08103	0.8
97.02880	1.3
98.03542	0.3
98.20762	0.5
105.07021	0.4
108.08097	0.9
109.02870	3.6
111.04391	0.3
119.08516	0.4
122.06016	4.0
124.06708	0.6
124.07590	9.9
126.05484	0.9
127.03867	0.7
129.06973	0.3
133.10080	0.3
136.07574	89.7
137.05997	0.4
137.07896	0.7
138.09146	0.9
140.07091	1.5
141.04082	0.8
142.04784	0.3
143.05641	59.7
145.02792	0.3
147.04378	0.4
148.07559	0.5
150.05524	0.7
151.03931	0.7
152.07065	26.8
161.06116	0.3
162.05595	0.3
164.07065	100.0
166.08611	0.8
170.08125	1.2
175.03777	0.3
177.05412	0.6
182.08199	2.6
185.06689	0.5
194.16690	0.3
212.09297	0.5
224.09215	0.8
233.06674	0.5
235.13361	0.4
244.09674	1.0
262.61630	0.3
272.09326	1.0
287.13895	36.8
290.10358	0.9
296.11392	0.5
297.12381	1.1
305.14935	5.1
308.11224	2.5
315.13367	0.7
326.12411	0.4
347.16006	8.7
365.15143	0.7
395.16025	5.2
413.17032	7.2
431.18195	7.9
449.19391	1.3
468.17599	0.4
591.24237	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	591.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01877	0.4
56.05038	2.4
65.03934	0.4
67.05513	1.5
69.03445	0.9
70.06612	1.0
71.04996	0.6
74.06081	1.7
77.03964	0.5
79.05505	1.1
81.03439	1.9
81.07040	2.2
83.05029	0.5
85.02908	1.4
87.06722	3.8
91.05475	3.3
92.93836	0.4
93.05802	0.7
93.07038	1.9
94.06566	1.5
95.04973	1.7
95.08618	1.6
96.08137	1.2
97.02882	0.6
97.06532	0.6
99.37759	0.4
105.07013	1.0
107.08613	0.9
108.04455	0.4
108.08124	1.6
109.02879	3.9
109.10181	0.4
119.08624	0.9
120.06595	0.8
122.06022	5.5
124.07592	12.6
126.05521	1.2
127.03942	1.0
135.11720	0.4
136.07578	95.8
137.07979	0.7
138.09126	1.2
140.07056	1.6
141.04033	1.0
142.04768	0.5
143.05641	77.0
145.04985	0.4
147.04391	0.6
148.07552	0.8
150.05479	2.0
150.09167	0.4
151.03877	0.5
152.07063	31.2
164.07063	100.0
165.07440	0.6
166.08641	1.4
170.08133	1.9
175.03978	0.7
177.05403	0.5
177.68336	0.4
182.08133	3.1
207.06522	1.1
212.09267	0.4
224.16344	0.7
233.06700	0.7
244.09695	0.9
246.11322	0.6
272.09189	1.1
278.10147	0.9
287.13892	32.3
290.10370	0.6
296.11316	2.6
303.05066	0.4
305.11493	0.7
305.14944	4.9
308.11288	4.7
314.12265	0.8
317.01123	1.1
325.21140	0.6
326.12393	0.8
343.22287	7.1
347.15988	1.4
359.16403	0.4
395.16299	1.8
413.17007	7.8
429.11273	0.4
431.18124	9.5
449.19223	2.4
474.18036	0.4
591.24274	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13853	0.3
54.88723	0.2
55.01872	1.4
65.03930	0.6
67.01852	0.5
67.05499	0.3
68.99790	2.1
69.03414	0.3
69.84514	1.6
77.03909	0.4
78.66676	0.3
79.05503	0.5
79.61069	0.3
80.75447	0.2
83.04984	1.0
85.02911	0.3
89.03921	0.4
93.03394	0.6
95.04954	0.7
105.07021	0.3
107.04951	1.1
109.02848	0.4
110.28973	0.3
111.04450	4.0
111.05295	0.3
111.05519	0.3
115.05434	0.3
116.98680	0.3
119.04908	0.7
121.02869	0.3
123.04436	10.6
125.02354	0.4
127.03914	1.0
129.07056	0.3
131.04910	0.6
133.02840	0.3
135.04428	8.8
137.02327	0.5
139.03909	100.0
140.04343	0.4
141.01950	0.4
141.16115	0.3
145.02869	0.4
145.06496	0.7
147.04410	1.7
149.06017	0.4
151.03908	4.5
153.07001	1.4
157.06529	0.6
159.04424	1.2
161.02374	0.4
161.06036	1.4
163.03920	10.3
165.05519	0.7
165.54443	0.3
169.06493	0.9
171.04343	0.3
171.07927	0.3
173.06020	0.7
175.03912	1.4
177.05568	0.7
179.03413	7.7
181.05051	0.4
181.06474	1.9
185.06018	1.6
187.03877	2.5
189.05457	4.1
191.03423	0.7
193.04944	0.5
195.04477	0.3
197.05977	1.3
199.03967	0.4
199.07542	0.7
201.05473	1.6
203.03345	2.3
207.06592	0.3
209.06024	1.3
213.05499	2.7
215.03381	1.8
215.07010	0.5
217.04945	2.6
225.05516	0.4
227.07057	1.6
229.04967	2.1
231.06569	0.3
237.05476	1.2
241.05025	1.7
245.01994	0.2
245.04475	5.9
253.04927	0.3
255.01996	0.4
255.06567	4.2
257.04449	2.0
259.06055	4.9
263.05453	1.4
265.05066	0.8
269.04486	3.4
271.06018	4.6
273.07565	1.3
281.04416	0.6
283.06033	18.6
287.05527	10.8
289.07074	0.4
291.08636	1.0
299.05542	6.7
299.09045	0.4
301.07080	10.8
311.05472	2.0
403.47055	0.3
411.10831	1.1
421.09219	12.6
433.09088	0.7
439.10291	4.5
451.10318	0.4
495.15646	0.3
591.16107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58213	0.4
52.75673	0.5
55.01858	0.6
56.96577	1.0
60.08160	0.7
65.53769	0.6
69.03423	1.7
70.06580	1.6
71.04992	3.9
71.60124	0.6
72.08159	0.8
81.04505	0.5
83.04992	0.8
84.08118	0.7
85.02911	5.6
86.09708	0.8
89.05950	0.5
91.05473	5.8
92.05852	0.6
92.85301	0.6
93.07033	0.9
95.04951	0.9
97.02896	1.6
98.97587	1.7
105.07018	0.5
109.02926	0.6
111.04452	1.0
116.98621	1.6
119.04949	1.4
121.06498	1.7
123.04420	2.5
127.03891	1.3
129.05463	1.7
131.04787	0.7
134.99652	1.2
135.04395	1.0
136.07568	0.6
137.05962	0.8
139.03893	6.4
143.05643	4.9
145.02896	0.6
146.05991	0.7
147.04405	3.1
151.03903	2.9
159.00572	1.1
163.03932	2.0
165.05478	0.7
167.07004	0.5
175.03885	1.4
176.00835	0.9
177.05450	1.7
179.03447	0.9
185.04231	4.4
193.12207	0.8
203.05305	1.2
207.06546	2.4
245.04396	0.6
249.05205	12.0
267.06320	5.8
267.08969	1.0
283.06009	1.7
283.70377	0.6
287.05447	0.7
297.10083	0.7
301.07135	0.6
303.04913	0.6
313.07239	0.7
321.05832	8.1
321.09747	1.0
339.07178	0.8
339.11124	1.3
369.11792	0.7
385.12903	0.7
387.04395	0.6
421.09436	0.6
422.17053	1.8
422.66696	0.6
429.11566	27.0
430.11670	0.6
437.12906	0.6
591.16809	100.0
592.16937	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02736	1.1
56.96566	2.6
62.70936	1.2
67.41341	1.0
71.50997	2.2
89.03909	2.1
91.05466	1.2
96.97491	1.2
117.03378	1.7
117.07016	1.5
117.64519	1.1
118.06530	18.5
123.04416	4.3
130.06491	1.6
132.08104	4.6
135.04419	5.3
139.03891	11.1
142.06560	1.6
143.07281	2.4
144.08064	10.3
145.02803	2.7
146.06007	55.7
147.04457	2.4
151.03880	1.8
159.09183	9.3
160.96581	1.2
163.03894	18.0
164.04233	2.0
167.07068	3.1
170.06003	3.8
175.04013	1.2
180.63181	1.2
188.07057	100.0
205.09709	34.5
237.02931	2.2
245.04535	2.0
283.06061	1.4
355.08517	1.2
394.76080	1.4
417.06909	1.4
421.09030	2.2
449.36819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.2
57.03429	9.3
57.07072	44.8
61.31679	3.7
65.03923	4.3
66.92882	3.1
67.05506	43.7
69.07063	19.2
71.08629	32.5
73.63881	3.1
79.05489	40.3
81.07049	48.3
82.59141	3.0
82.68493	3.3
83.08620	12.7
85.10189	16.4
91.05479	44.9
93.07041	40.7
95.04900	4.4
95.08610	42.9
96.17183	3.1
97.06525	3.1
97.10175	5.3
105.07034	46.8
107.08586	25.6
109.10149	15.5
110.06539	3.5
111.08038	4.6
117.07024	14.0
119.08592	52.7
120.17685	3.3
121.10113	17.5
123.11671	8.3
129.06996	9.7
131.08580	23.8
133.10129	40.5
135.11699	16.5
143.08577	8.0
145.10138	15.0
147.11688	43.7
149.13242	12.0
157.10217	7.8
159.11705	11.5
161.13248	32.2
163.14926	3.3
171.11710	13.2
173.13246	11.2
175.14818	19.0
185.13239	8.4
187.14842	4.4
193.31302	4.1
198.33740	3.4
199.14771	4.7
231.21117	10.4
241.19493	42.7
257.24805	3.8
259.20566	94.9
313.27328	100.0
333.24243	57.1
457.74905	3.5
571.47241	7.2
589.48047	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	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37297	5.2
55.05490	16.9
57.03424	10.7
57.07079	53.5
67.05498	49.8
69.07054	18.4
71.08637	36.3
71.60309	6.7
72.93678	4.5
79.05497	31.9
81.07056	51.3
83.08612	19.2
85.10165	13.9
90.89482	4.5
91.05471	48.0
93.07037	35.0
95.05004	6.5
95.08612	43.8
97.10186	6.9
105.07031	53.8
107.08598	24.0
109.10140	21.8
117.06996	11.4
119.08585	47.2
121.10137	20.2
123.11670	12.5
129.07025	13.6
131.08527	24.1
133.10129	47.3
135.07944	6.1
135.11668	17.7
143.08551	6.5
145.10100	21.6
147.11679	57.0
149.13242	13.7
159.11687	14.8
161.13284	30.7
171.11687	12.8
173.13275	10.8
175.14767	14.3
182.82285	5.2
185.13226	13.6
195.45226	5.4
231.21066	11.4
241.19473	46.1
259.20581	100.0
313.27359	99.1
315.23004	6.9
333.24246	48.3
571.47260	8.8
589.48035	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	589.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.1
55.05503	0.2
57.03423	0.2
57.25180	0.1
67.05498	0.7
69.03419	0.4
69.07061	0.4
69.30752	0.9
69.31160	0.2
70.06605	0.6
71.04980	0.2
71.06899	0.1
73.04053	0.1
79.05500	0.5
81.03432	0.7
81.07053	1.8
83.02446	0.1
83.04988	0.2
83.08632	0.1
85.02903	0.5
85.06517	0.1
87.06716	3.3
91.05477	0.7
93.07039	0.6
95.04970	0.2
95.08615	0.8
97.02880	0.3
97.06554	0.2
97.10180	0.1
99.04454	0.2
101.03497	0.1
103.03986	0.1
105.07044	1.0
107.08575	0.4
109.02875	0.4
109.06486	0.2
109.10193	0.5
112.07611	0.3
113.04658	0.1
119.04884	0.1
119.08580	0.7
121.10178	0.5
123.08038	0.1
123.11652	0.6
125.04588	0.3
126.03001	0.1
127.03948	0.4
131.08511	0.1
133.10115	0.3
135.11717	0.2
137.05977	0.2
139.11154	0.1
140.07118	0.2
141.04076	0.6
142.04883	0.1
143.05640	100.0
144.06082	0.2
145.06412	0.1
147.11673	1.0
151.11191	0.3
158.83052	0.1
165.12747	0.5
167.06995	0.1
175.11212	0.1
177.05417	0.2
178.11404	0.1
185.06731	0.3
199.08257	0.2
207.06627	0.2
216.19347	0.1
217.09303	0.2
229.14368	0.3
267.15948	0.4
285.17026	0.3
287.05478	0.5
288.05936	0.4
303.23285	0.2
305.10947	0.3
355.17679	0.2
377.26913	0.2
395.27820	0.2
429.21359	0.2
469.28995	0.1
535.23773	0.3
548.19513	0.1
553.25085	0.2
571.26080	1.0
589.27106	4.0
589.40979	0.2
591.09149	0.1
610.25616	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	589.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.1
55.05503	0.2
57.03423	0.2
57.25180	0.1
67.05498	0.7
69.03419	0.4
69.07061	0.4
69.30752	0.9
69.31160	0.2
70.06605	0.6
71.04980	0.2
71.06899	0.1
73.04053	0.1
79.05500	0.5
81.03432	0.7
81.07053	1.8
83.02446	0.1
83.04988	0.2
83.08632	0.1
85.02903	0.5
85.06517	0.1
87.06716	3.3
91.05477	0.7
93.07039	0.6
95.04970	0.2
95.08615	0.8
97.02880	0.3
97.06554	0.2
97.10180	0.1
99.04454	0.2
101.03497	0.1
103.03986	0.1
105.07044	1.0
107.08575	0.4
109.02875	0.4
109.06486	0.2
109.10193	0.5
112.07611	0.3
113.04658	0.1
119.04884	0.1
119.08580	0.7
121.10178	0.5
123.08038	0.1
123.11652	0.6
125.04588	0.3
126.03001	0.1
127.03948	0.4
131.08511	0.1
133.10115	0.3
135.11717	0.2
137.05977	0.2
139.11154	0.1
140.07118	0.2
141.04076	0.6
142.04883	0.1
143.05640	100.0
144.06082	0.2
145.06412	0.1
147.11673	1.0
151.11191	0.3
158.83052	0.1
165.12747	0.5
167.06995	0.1
175.11212	0.1
177.05417	0.2
178.11404	0.1
185.06731	0.3
199.08257	0.2
207.06627	0.2
216.19347	0.1
217.09303	0.2
229.14368	0.3
267.15948	0.4
285.17026	0.3
287.05478	0.5
288.05936	0.4
303.23285	0.2
305.10947	0.3
355.17679	0.2
377.26913	0.2
395.27820	0.2
429.21359	0.2
469.28995	0.1
535.23773	0.3
548.19513	0.1
553.25085	0.2
571.26080	1.0
589.27106	4.0
589.40979	0.2
591.09149	0.1
610.25616	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	589.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17374	1.0
53.03931	2.8
53.35489	1.0
55.01862	3.6
55.05305	1.2
55.05514	11.8
56.57026	1.0
57.03431	3.0
57.07043	1.3
61.02919	1.7
65.03929	1.6
67.05495	7.5
68.99773	1.9
69.03426	16.5
69.07074	8.3
70.06566	1.2
70.51266	0.9
71.04977	2.5
71.59872	1.6
73.02910	3.5
79.05489	9.6
81.03416	13.3
81.07056	25.7
83.04980	1.9
84.08158	1.5
85.02906	22.7
85.06536	2.4
86.09689	1.1
87.00824	7.0
87.04480	1.9
91.03992	1.0
91.05480	11.9
93.07034	16.4
94.04170	3.7
95.01309	2.4
95.04968	4.4
95.08618	17.5
97.02900	9.5
97.06512	4.4
97.10166	19.9
99.04453	4.5
99.08100	1.6
103.03897	1.1
103.05460	5.6
105.01871	4.8
105.07031	15.3
105.10825	1.0
107.04955	2.7
107.08587	15.8
109.02882	14.0
109.06520	4.5
109.10157	13.7
111.04433	1.2
111.08081	4.8
113.02380	1.5
115.03946	1.1
115.05451	4.4
117.01797	1.0
117.06990	2.8
118.04128	1.0
119.04900	2.0
119.08565	12.3
121.06520	2.6
121.10161	7.1
122.03658	6.7
123.04414	1.6
123.08028	1.9
123.11729	10.0
124.07558	1.3
125.05983	2.0
125.09647	5.5
127.03914	14.1
128.06224	3.1
129.07007	2.4
131.03391	1.2
131.04930	7.3
131.08540	2.8
132.05699	3.1
133.06476	4.3
133.10132	5.5
135.08032	1.3
135.11694	16.2
136.07576	1.4
137.05975	100.0
137.09523	2.6
137.13258	1.8
139.11194	2.2
140.86389	0.9
141.01802	3.8
141.06999	2.3
141.47469	1.0
143.05669	19.2
143.10657	4.2
145.02812	1.8
145.04967	3.2
145.06470	1.7
145.10106	4.3
146.03639	1.3
147.04367	2.5
147.08034	4.2
147.11690	6.5
149.05989	2.1
149.13257	4.0
151.03923	1.5
151.07562	1.7
151.11165	6.2
153.01741	1.2
153.12740	12.2
157.06551	1.3
157.10130	1.9
159.02916	5.8
159.08089	1.5
159.11659	5.1
160.05232	2.4
161.06001	10.8
161.13246	4.2
163.03856	0.9
163.07532	14.0
163.11208	1.6
163.14775	1.5
165.12759	1.7
167.03363	1.5
167.06995	6.1
169.06505	1.2
171.08029	1.3
171.11705	1.2
173.13306	2.6
175.03954	1.4
175.07550	46.9
175.14838	1.4
177.04149	1.0
177.05432	5.3
177.12698	2.2
179.10704	2.0
184.05145	2.6
184.77930	0.9
185.13237	1.2
187.06023	1.0
187.07539	4.3
187.14812	4.4
189.08968	1.1
191.08534	3.2
191.14265	1.8
195.13710	1.2
197.11679	2.4
199.07521	19.1
201.08989	1.6
201.16357	1.4
201.64413	1.3
202.07799	4.3
203.08562	10.9
203.14290	1.0
205.15900	2.1
207.06531	2.8
208.06837	1.0
209.15210	1.3
211.14799	1.1
215.14281	1.2
219.08168	5.8
220.08849	4.6
227.12860	1.7
229.15874	1.4
231.04788	1.7
231.05815	1.4
231.08043	13.8
232.08836	1.8
233.15346	1.6
235.16891	2.6
245.13754	7.5
247.07501	3.2
248.08363	6.0
251.10754	3.0
257.22635	1.4
259.07501	6.5
260.08337	3.8
261.09348	1.9
263.10760	6.2
265.08502	2.7
267.21033	2.1
273.22070	1.4
276.07764	3.4
277.08655	5.5
279.10123	3.2
281.08139	1.2
285.22226	5.0
287.05389	2.3
291.10135	18.3
291.23154	4.3
292.11008	5.3
293.08142	3.2
295.13226	3.1
303.05057	2.2
303.23157	8.2
307.09668	1.0
308.10355	3.7
311.05237	1.6
311.12695	8.3
321.11111	1.2
321.24182	2.2
323.12753	39.7
325.14310	3.2
353.13434	1.2
365.26785	3.5
377.26877	6.6
383.27856	3.3
395.27924	9.8
413.28931	2.5
427.13708	5.5
571.30780	1.9
589.18378	1.8
589.26440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.05497	0.9
56.96559	0.6
57.03433	0.6
57.86243	0.4
67.05502	2.7
69.03432	1.8
69.07064	1.5
70.06621	0.5
71.61104	0.9
71.82411	0.5
72.08142	0.7
79.05478	1.9
81.03411	1.9
81.07056	2.4
83.01099	0.5
83.04983	0.6
85.02887	1.8
91.05487	3.8
93.03462	0.4
93.07042	1.8
95.01074	0.6
95.04955	1.3
95.08633	2.4
97.02902	1.6
97.06549	0.8
97.10158	0.6
98.81435	0.5
98.98459	0.6
99.04459	0.6
102.32516	0.4
103.05456	0.4
105.07047	1.8
107.04968	0.6
107.08590	1.6
109.02898	1.1
109.06494	0.7
109.10151	1.3
110.11304	0.5
113.02116	0.7
116.04680	0.6
117.03358	0.8
119.04929	1.2
119.08571	1.3
121.10109	1.5
123.11757	0.7
127.03940	1.2
131.08557	0.6
133.10129	1.5
135.11667	0.5
137.02330	1.1
137.05966	2.2
143.05641	1.7
145.02840	1.2
145.10191	0.6
146.03273	0.5
147.04436	2.0
147.11717	1.1
149.05960	1.0
149.70380	0.5
151.07530	1.1
153.05479	0.6
161.06004	0.7
163.07608	0.6
167.03404	0.8
167.07048	1.5
173.09668	0.6
175.03925	1.7
175.11290	0.6
176.04422	1.2
177.05455	2.6
181.06436	0.6
185.04265	1.7
189.05243	5.2
191.07103	0.5
197.11751	0.7
201.05322	1.8
203.06793	1.1
205.08621	0.7
207.06519	2.1
215.06868	1.4
216.07594	12.8
217.08385	3.0
229.08452	1.4
233.07933	1.2
271.05991	3.0
284.06378	0.6
285.07571	0.7
287.05524	1.0
330.07425	1.2
331.08057	2.8
352.11258	1.1
365.11966	3.2
379.13651	10.9
395.13043	3.7
416.62808	0.5
427.17480	4.2
446.07050	0.5
470.58826	0.6
481.39771	0.6
559.21594	1.1
589.22577	100.0
590.23071	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
53.55591	0.9
54.04422	1.0
55.01881	3.7
55.05517	10.0
57.03423	4.8
60.56517	1.0
61.02916	2.6
65.03933	1.3
67.05513	6.9
68.99786	2.1
69.03436	13.6
69.07073	7.8
71.01373	1.7
71.05002	2.3
71.61068	1.1
72.08144	1.0
73.02913	3.4
76.92316	0.9
79.05499	6.5
81.03420	14.1
81.07066	21.6
83.04997	2.3
83.08611	1.8
85.02909	21.3
85.06570	1.1
87.00836	7.8
87.04477	1.1
89.03945	1.0
91.05487	10.6
93.07039	11.8
94.04197	4.5
95.01335	3.3
95.04981	3.9
95.08617	17.9
97.02917	8.3
97.06523	3.3
97.10182	15.8
99.04467	3.5
99.08091	1.1
103.05499	4.5
105.01880	4.2
105.07040	12.6
107.04968	3.0
107.08602	14.6
109.02895	11.3
109.06520	6.3
109.10162	11.2
111.04482	1.7
111.08121	2.4
111.11775	1.1
113.02390	1.4
115.03910	1.6
115.05466	3.8
117.01921	1.8
117.07027	3.3
119.04966	1.2
119.08592	12.9
121.06541	1.9
121.10161	5.9
122.03651	7.9
123.08099	2.3
123.11700	8.9
125.09662	5.1
127.03925	15.8
128.06267	2.7
129.01859	1.0
129.07022	1.7
131.03464	1.7
131.04953	7.7
131.08609	3.2
131.85919	0.9
132.05748	3.5
133.06494	3.4
133.10152	6.0
135.08061	1.5
135.11707	13.1
136.07593	1.1
137.05986	100.0
137.09563	2.3
139.11227	1.3
141.01830	4.3
143.05695	11.0
143.10674	2.4
145.02907	1.5
145.04964	3.0
145.06491	1.2
145.10146	3.9
147.04416	3.1
147.08067	4.5
147.11667	5.4
149.06021	1.2
149.13240	2.6
151.03920	1.8
151.11198	4.8
153.12732	10.1
157.06587	1.4
157.09999	1.0
159.02893	4.6
159.08089	2.6
159.11736	3.8
160.05261	2.3
161.06013	12.2
161.09595	1.1
161.13284	2.9
163.03886	1.3
163.07562	12.4
163.11241	1.4
163.14810	1.1
165.12817	2.2
167.07086	2.9
169.06512	1.9
171.08035	1.2
173.05910	1.0
173.13293	3.0
175.07556	50.1
175.11116	1.7
175.14786	1.8
177.05472	3.3
177.12805	2.1
179.07120	1.2
181.04944	1.1
181.06570	1.0
183.06688	0.9
184.05191	2.0
185.29012	0.9
187.06093	1.0
187.07559	5.2
187.14870	3.8
191.08594	3.3
197.11717	1.4
199.07549	16.2
201.09204	1.9
202.07715	6.1
203.08588	12.0
203.14432	1.1
205.06476	1.5
205.15979	1.2
207.06520	2.0
209.15323	1.8
215.07013	1.4
217.08595	1.0
219.08154	5.6
220.08868	3.3
231.04965	1.2
231.05869	1.1
231.08067	10.1
232.08867	2.8
233.09758	1.4
235.07486	1.1
237.09102	1.0
245.13843	5.6
247.07484	2.8
248.08353	4.2
249.08960	1.0
251.10667	3.8
257.12897	1.4
259.07504	7.4
260.08447	2.3
263.10724	6.7
265.08749	1.7
267.21042	1.5
273.22171	1.5
275.07129	1.3
276.07877	3.8
277.08469	4.5
279.10202	3.1
280.10815	1.3
285.22266	3.5
287.05548	1.7
291.10181	16.1
291.23242	2.3
292.10986	6.0
293.08124	3.4
295.13370	1.6
303.23212	6.9
308.10397	3.0
311.12860	6.9
315.09995	1.2
321.24182	2.4
323.12787	35.7
324.13004	1.5
325.14337	3.4
335.12744	1.5
355.07794	1.1
365.26810	2.7
377.26929	6.2
383.27841	2.0
395.27878	9.5
413.72632	1.0
427.13306	3.4
565.94971	1.0
571.31018	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01861	1.4
55.05500	1.1
57.03422	0.5
61.02925	0.5
67.01865	5.6
67.05492	1.5
68.99788	3.3
69.03426	2.7
69.07074	3.8
70.06868	1.6
73.02892	0.4
79.05490	1.4
81.03413	3.0
81.07051	1.6
83.04951	0.3
83.08586	0.5
84.08155	0.5
85.02908	3.5
87.00825	1.3
91.05475	1.8
93.07030	1.2
95.04955	1.1
95.08594	1.0
97.02892	2.5
98.20927	0.6
99.04458	0.9
103.05445	0.6
105.01884	0.7
105.07031	1.2
107.04955	0.9
107.08595	0.6
109.02878	1.9
109.10132	0.6
111.00784	0.5
111.04455	0.6
115.05524	0.4
117.07000	0.8
119.04963	0.5
119.08579	0.8
119.89375	0.3
121.06475	0.4
121.10107	0.7
123.04432	0.7
125.02351	1.0
127.03944	3.3
129.01822	1.1
129.06996	0.5
131.04926	1.8
131.08542	1.0
133.06487	3.6
133.10153	0.6
135.04488	0.4
137.05957	0.5
139.03951	0.4
143.05626	0.6
143.08395	0.4
145.04962	0.8
145.06477	1.2
145.10201	0.3
147.04398	1.6
147.08057	1.0
149.05992	0.4
151.03868	0.5
151.07527	0.8
153.01826	100.0
154.02151	0.4
156.09244	0.3
157.06471	1.4
159.02921	1.0
159.04393	2.9
159.11714	0.6
161.05934	0.8
165.01929	0.5
165.07042	0.5
169.06529	0.8
171.02890	43.2
171.08002	0.7
173.06001	4.1
173.09607	0.7
175.07550	0.7
175.11197	1.1
177.05457	2.5
179.03386	7.4
179.08516	0.4
179.98549	0.4
181.06464	0.4
183.02864	1.0
187.07590	0.7
189.12750	11.5
191.03410	0.4
191.10661	0.4
195.02882	1.7
197.05962	2.9
197.09628	1.0
199.07573	1.4
201.05493	0.9
215.07050	2.2
215.10680	3.6
217.04968	1.1
219.02887	0.7
221.05978	3.0
225.05428	0.8
231.04987	0.4
239.07002	1.0
243.06548	1.1
249.05463	0.7
261.04108	0.3
267.06516	15.7
273.07690	0.8
273.14905	0.4
285.07605	7.2
299.12552	0.3
341.13831	87.3
342.14194	1.2
372.45029	0.3
383.06375	0.3
401.07141	2.9
589.33582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01867	0.5
57.03424	0.4
61.02916	1.1
64.10710	0.3
65.03941	2.1
69.03429	1.9
70.06570	0.6
71.05001	0.6
71.60699	0.4
73.02903	0.4
77.11107	0.4
79.05502	0.4
81.03413	0.8
81.07093	0.4
85.02908	7.7
86.09724	0.4
91.05486	100.0
92.05815	0.5
94.06567	0.4
94.68502	0.3
95.04988	0.5
95.08582	0.4
97.02892	2.7
99.04462	1.0
105.07054	0.5
107.04982	0.4
107.08614	0.3
109.02901	0.8
117.03465	0.3
119.04952	0.3
121.10154	0.5
127.03942	2.7
128.07109	0.6
137.02379	2.4
137.05971	0.6
138.02766	0.4
143.05640	0.8
145.04964	2.7
151.03889	0.5
163.06044	0.7
167.03426	1.0
167.07074	0.8
177.05489	0.9
179.07068	0.4
207.06642	0.6
245.08159	2.3
271.06091	0.5
287.05466	0.6
288.05927	0.5
313.07394	0.5
372.05743	0.5
431.07928	1.2
432.07990	3.9
433.08450	0.5
449.08728	0.6
450.09241	0.9
584.72504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
53.72443	2.5
55.01861	8.6
55.05513	32.4
57.03434	18.0
65.03933	4.6
67.05505	100.0
69.03423	4.5
69.07057	18.0
69.34359	10.2
69.34786	17.3
71.01345	4.8
71.04969	4.9
79.05060	4.2
79.05493	55.7
81.03418	30.5
81.07058	73.6
83.04974	9.2
83.08630	16.1
85.06519	2.9
91.05484	38.9
93.07040	54.8
93.14973	2.5
95.04969	74.2
95.08610	52.1
97.06516	8.4
97.10149	10.0
102.38166	3.2
105.07034	35.6
107.04958	18.3
107.08588	30.8
109.02893	13.8
109.06499	10.1
109.10162	20.0
111.04436	3.8
111.08151	4.1
117.07017	16.9
119.08582	34.9
121.06490	8.5
121.10152	24.7
123.04426	84.1
123.08047	6.2
123.11745	5.0
125.09619	8.0
129.07034	16.5
131.08594	19.4
133.10117	14.6
135.08064	6.4
135.11711	16.1
141.07004	3.0
143.08557	10.4
145.10112	25.3
147.08047	9.8
147.11674	10.0
149.09647	3.9
149.13219	3.4
153.09087	6.7
155.08556	6.5
157.10101	3.8
159.11722	7.3
159.60464	3.0
161.13199	5.1
163.11180	19.6
171.11693	10.2
173.09608	7.9
173.13318	6.0
189.11215	4.6
189.12706	16.5
191.10684	5.6
199.11072	3.5
207.13728	14.4
217.12204	10.9
221.38950	2.9
223.13220	3.9
235.13286	91.7
243.20863	2.9
253.14354	4.9
261.22073	9.1
309.16977	50.1
335.25815	85.4
477.33347	4.9
551.37946	3.2
569.38397	53.1
587.39465	14.4
590.95245	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	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30864	1.4
53.47771	1.3
57.93254	1.4
66.03865	1.3
67.05489	1.9
69.03427	1.9
69.79160	9.9
70.06591	4.2
71.05007	1.8
71.56763	1.4
72.08117	2.1
79.05499	3.2
84.08129	1.5
85.02937	1.9
86.06067	1.7
91.05469	5.5
94.21277	1.6
95.05009	3.4
97.02885	2.1
103.05450	2.3
105.07015	12.7
107.04973	1.6
118.04158	3.5
119.04942	4.4
131.04974	2.9
133.06474	14.0
135.08014	2.9
137.05986	7.5
143.05714	4.0
147.04434	5.8
149.05992	1.7
150.06757	9.6
151.07533	3.0
157.16013	1.4
161.06035	1.7
163.04013	1.6
163.07579	2.9
165.09103	10.9
167.07060	6.5
175.11261	1.6
179.07040	6.2
182.74257	1.5
193.08601	56.9
207.06462	3.5
211.09648	100.0
224.98773	1.5
225.65396	1.5
229.14520	1.7
254.18861	1.5
341.13782	3.0
351.66602	1.6
466.52759	1.7
500.93817	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.01872	0.2
56.96564	0.1
61.02920	0.2
65.03940	0.2
67.05495	0.4
69.03425	0.5
69.07057	0.1
71.05019	0.1
73.02893	0.1
77.03948	0.1
77.46321	0.1
78.04698	0.8
79.05479	0.9
81.03410	0.5
81.07047	0.3
85.02892	1.3
91.05463	0.9
93.07047	0.3
94.04197	0.1
95.04967	0.4
95.08627	0.2
96.05732	0.2
96.34664	0.1
97.02881	0.8
98.21519	0.2
103.05466	0.3
105.03419	0.1
105.07025	0.7
106.04152	0.6
107.04956	0.9
107.08604	0.2
109.02892	0.4
109.06496	0.2
109.10178	0.1
109.26508	0.1
111.04491	0.2
115.05415	0.2
119.04966	0.1
119.08537	0.2
121.06499	0.5
122.03651	0.2
123.04427	2.7
124.05213	1.1
127.03909	0.4
133.06474	0.5
133.10167	0.2
134.03609	0.1
135.04440	0.2
135.08072	0.1
137.05981	0.4
144.06570	0.1
145.04924	0.2
147.04393	0.1
149.06000	0.6
151.03897	0.4
151.07491	0.1
152.04651	1.0
159.11690	0.1
161.06003	0.6
162.07652	0.2
163.07556	0.1
165.05513	0.1
166.06157	0.2
167.07030	100.0
168.07355	0.3
177.05466	0.2
178.06242	0.1
179.07047	0.5
180.08638	0.3
181.08562	0.6
193.08594	3.8
193.10316	0.2
195.06505	0.1
195.10205	0.1
204.52600	0.1
207.06537	0.1
211.09644	14.1
251.09097	0.1
584.13525	0.1
584.27808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2678
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.01865	0.9
55.05506	1.8
56.96570	4.5
57.03412	0.9
64.26712	0.7
65.69532	0.7
67.05177	0.7
67.05505	7.1
69.03415	2.7
69.07063	2.6
69.30296	0.6
69.36010	0.7
71.04995	0.8
71.59912	1.3
71.76311	0.7
77.58441	0.7
79.05477	3.2
81.03427	3.7
81.07050	5.3
83.04963	1.8
83.08593	0.9
85.02894	2.0
91.05454	3.4
92.20406	0.7
93.07046	3.5
95.04980	1.9
95.08589	3.2
97.02882	2.4
98.97569	1.7
105.07014	3.3
107.08571	2.3
109.02849	1.9
109.10156	4.1
111.08066	1.1
116.98609	2.1
117.07007	1.3
118.96434	0.7
119.08567	2.3
121.06522	0.9
121.10123	1.9
123.04430	1.8
123.08060	1.2
127.03920	1.9
129.06993	0.9
131.00145	2.7
131.08540	1.5
133.02864	0.8
133.06429	0.9
133.10104	1.9
133.18904	0.8
135.08005	0.8
144.49245	0.7
145.02820	1.7
146.99641	0.7
147.04378	1.8
147.11694	1.1
149.01228	6.1
149.05946	1.3
151.03877	1.2
151.13063	0.8
155.13042	0.7
161.01250	1.0
161.05986	1.2
163.07497	0.8
165.09103	0.9
167.02269	2.3
167.07088	7.9
173.11716	1.3
175.07474	0.9
177.00638	1.6
177.05455	2.8
191.02243	1.1
193.05032	0.7
201.05473	0.8
207.06544	1.2
207.73216	0.8
251.09610	1.0
255.06470	2.5
269.10626	6.1
285.10150	1.2
287.05173	1.0
287.11465	4.4
292.11960	1.1
293.05566	3.8
311.06357	3.4
311.11499	1.9
349.16769	1.9
356.63409	0.8
367.17868	2.2
372.19162	1.0
413.17636	2.3
460.18292	1.2
460.48370	0.8
487.18195	2.3
531.63959	0.9
567.27252	0.9
574.82434	1.1
585.26630	100.0
586.27203	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83631	4.8
55.05500	16.8
57.07072	10.0
67.05509	43.2
69.03409	9.6
69.07056	22.3
69.32391	19.5
69.32812	38.7
71.39426	5.5
79.05480	29.9
81.03416	8.7
81.07051	65.0
83.04971	10.2
83.08616	12.1
91.05481	56.8
93.07053	77.4
94.67041	5.3
95.04980	22.1
95.08614	59.2
97.06519	9.4
97.10164	6.6
105.07031	84.9
107.08594	70.9
108.76674	4.8
109.06535	12.4
109.10159	51.4
111.08073	8.2
117.07024	17.2
119.08583	100.0
121.06411	6.4
121.10146	68.0
123.08108	8.0
123.11710	17.6
125.09649	7.5
129.06999	15.4
130.07813	6.7
131.08559	53.2
133.10143	78.2
135.08046	20.5
135.11703	46.6
137.09625	10.2
139.11215	11.3
141.07016	9.7
142.07814	16.4
143.08592	38.0
144.09331	6.5
145.10130	79.1
147.08008	7.1
147.11697	39.7
149.09619	18.7
151.11203	7.8
151.89690	4.8
155.08551	15.9
156.09399	11.2
157.10130	49.6
158.10870	6.0
159.08063	15.2
159.11716	42.5
161.09656	9.8
161.13223	12.3
167.08649	8.5
169.10109	27.8
170.10870	9.8
171.11716	33.2
173.09616	9.6
173.13319	37.9
175.11089	5.5
175.14848	53.5
179.08517	9.4
179.43268	6.0
181.10075	9.9
183.11703	22.4
185.13310	18.0
187.11172	7.1
187.14778	18.8
189.16299	6.5
191.14291	8.3
195.11717	21.6
197.13203	21.4
199.14856	19.8
201.12703	9.5
201.16399	15.8
207.11661	8.8
209.13306	18.8
211.14825	16.5
213.16400	13.8
215.14343	6.9
217.15887	7.1
219.17622	6.7
219.93703	6.2
221.13258	8.7
223.14821	13.4
225.16185	8.8
233.13226	5.9
235.14854	10.6
249.16435	7.5
257.19089	9.0
259.20682	6.9
265.19531	12.2
269.18582	5.1
283.20505	13.7
285.22168	11.1
361.25171	6.4
445.31085	6.6
549.40771	7.4
567.41919	29.4
585.21014	6.6
585.43231	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05519	6.2
57.07077	7.9
58.35858	2.0
67.05507	15.9
69.03439	4.1
69.07082	5.9
69.34853	18.2
79.05490	13.2
81.07066	18.3
83.05003	2.9
83.08640	4.3
85.06554	2.6
91.05483	23.8
91.06004	2.0
92.26531	1.6
92.76710	1.5
93.07049	32.5
93.07637	2.5
95.05002	5.4
95.08609	23.9
97.06573	2.1
98.21490	4.2
105.07035	34.6
106.03739	1.6
107.04977	6.6
107.08593	17.8
109.06557	4.1
109.10176	8.3
112.85555	1.6
114.29701	1.7
117.07021	9.1
119.08583	32.0
119.09361	2.6
121.06551	4.7
121.10147	19.8
123.08076	19.6
123.11687	2.3
128.06253	6.3
129.06989	8.3
130.07831	3.1
131.08562	13.9
133.06555	4.4
133.10129	16.1
135.08000	8.7
135.10803	1.6
135.11700	3.9
137.09595	10.4
138.99062	1.8
141.07028	2.6
142.07796	10.0
143.08574	18.3
144.09369	2.3
145.10130	20.0
147.08057	20.5
147.11751	7.0
149.09631	4.4
151.07542	19.8
153.09178	1.7
154.24550	1.5
155.08565	7.7
156.09393	10.0
157.10141	28.3
158.10828	1.9
159.08197	2.3
159.11742	12.9
161.09677	6.2
161.13297	4.8
163.11194	3.5
165.09122	34.2
167.08643	3.7
169.10114	9.5
170.10922	5.7
171.11702	16.4
172.12473	3.0
173.09604	2.5
173.13254	9.0
175.11334	3.0
177.09073	1.8
179.08588	6.1
180.09462	1.7
181.10165	7.2
181.12306	2.8
182.11057	4.0
183.11729	10.4
185.13240	11.3
187.14850	3.3
189.12825	5.5
192.09421	2.1
193.10184	6.4
194.10973	5.0
195.11760	10.6
195.13560	1.9
196.12511	3.2
197.13295	12.7
199.11250	1.8
199.14832	4.8
201.16467	2.1
203.14294	14.2
206.10942	2.7
207.11781	9.1
207.13872	9.4
208.12534	5.0
209.13280	13.9
210.14050	2.2
211.14883	6.0
213.16518	2.1
219.11813	3.7
219.17447	2.9
221.13310	5.8
221.15353	56.0
223.14890	9.0
225.16512	2.5
229.10162	2.2
231.11708	2.5
231.17719	1.9
232.12453	2.4
233.13309	6.0
235.14903	6.4
237.16545	5.2
239.18079	3.0
247.17096	2.2
248.15556	2.0
249.16574	3.6
251.17993	2.6
253.19511	2.8
257.19165	1.9
259.14713	2.6
261.16400	3.8
263.18030	3.0
265.19638	3.1
268.32077	1.8
269.19089	3.3
271.20499	2.6
273.16330	2.5
275.18051	2.5
277.19519	2.3
279.20966	2.7
283.20624	4.2
287.20126	3.3
289.19583	3.3
295.20724	2.9
297.22241	3.9
305.17514	3.8
309.18848	2.1
333.22195	2.7
347.23764	3.0
352.75604	1.7
358.40872	1.9
365.24985	2.7
373.44714	1.6
375.26840	9.8
403.29932	11.6
503.35281	5.2
509.34860	3.0
547.39624	4.9
565.40417	35.7
583.41516	100.0
602.66705	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29312	1.8
53.03938	6.5
55.01875	2.4
55.05512	19.6
57.07073	12.0
58.83167	2.3
59.04986	3.4
65.03933	4.6
67.05500	29.9
69.03432	7.8
69.07063	26.5
71.04985	3.8
77.03900	1.9
79.05501	35.1
81.07054	44.6
83.04987	8.8
83.08614	10.6
85.06551	7.6
87.04464	2.2
91.05480	50.9
93.07044	79.4
93.94048	2.3
95.04975	17.0
95.08606	42.6
97.06540	9.0
97.10149	4.1
103.05490	4.5
104.93217	2.1
105.07033	82.2
107.04948	4.2
107.08591	52.4
109.06524	9.8
109.10157	29.7
111.08074	4.5
115.05479	6.5
117.07027	16.1
118.43970	2.2
119.08579	100.0
121.06530	5.4
121.10146	64.2
123.08064	14.2
123.11729	8.8
125.09631	3.9
128.06213	13.7
129.07008	22.8
130.07826	9.2
131.08574	46.0
133.06488	3.3
133.10121	46.8
135.08047	10.6
135.11673	19.6
137.09636	9.7
139.11171	4.1
141.07010	7.7
142.07767	25.4
143.08559	48.4
144.09326	8.1
145.06522	3.1
145.10124	62.7
147.08093	11.1
147.11685	22.4
149.09584	12.9
149.13303	4.1
151.07590	8.0
151.11304	2.7
153.07034	7.9
154.07813	4.7
155.08560	18.9
155.10669	4.1
156.09334	17.8
157.10135	65.5
158.10933	8.3
159.08080	8.6
159.11697	37.2
161.09660	8.8
161.13324	8.6
163.11218	9.7
165.07007	8.6
165.09126	16.6
166.07805	4.2
167.08582	14.7
167.10680	45.4
168.09393	5.9
169.10141	32.5
170.10922	7.7
171.11690	37.8
171.12944	3.0
172.12425	4.4
173.09654	5.4
173.13269	32.6
175.11281	5.6
175.14854	15.1
177.09081	2.8
179.08577	17.0
180.09351	7.6
181.10121	20.8
181.12285	6.0
182.10867	11.9
183.11703	27.2
184.12506	7.8
185.13245	22.1
187.11229	2.8
187.14833	13.7
189.12791	5.2
191.14372	7.5
192.09349	5.1
193.10149	15.8
194.10870	11.5
195.11731	22.7
195.13490	3.0
196.12495	5.3
197.13271	28.8
198.14085	2.8
199.11340	3.3
199.14803	29.0
201.12685	2.5
201.16368	4.1
203.14398	8.2
205.10172	5.3
206.10942	9.7
207.11754	23.2
207.13771	4.9
208.12454	7.3
209.13280	32.8
209.15143	3.6
210.14072	3.9
211.11345	2.6
211.14851	15.0
213.12796	2.7
213.16373	5.3
215.14386	7.3
217.10294	3.2
217.15857	20.9
218.10919	5.3
219.11656	10.4
219.17479	4.5
220.12633	6.7
221.13300	21.0
221.15454	31.7
222.14023	3.0
223.14851	13.4
225.12819	3.2
225.16434	9.3
227.14426	2.8
229.16078	2.6
231.11734	7.0
231.17532	3.3
232.12608	4.7
233.13278	8.6
233.15456	16.1
234.13998	3.7
235.14864	11.5
236.15590	2.5
237.16438	8.9
239.14368	4.2
239.17937	4.6
241.19536	3.1
244.12512	4.5
245.13365	6.9
246.14125	7.4
247.14867	10.4
247.17119	3.5
249.16544	12.8
249.18727	2.4
251.17949	5.1
253.15938	3.5
257.13300	3.3
257.19092	6.2
257.52548	2.3
258.14059	2.8
259.14941	7.8
260.15659	5.7
261.16418	11.9
263.18021	8.4
265.19604	9.3
267.17453	3.8
269.19077	4.2
271.14883	2.7
272.15598	2.7
273.16452	6.1
275.17911	13.0
277.19531	5.1
281.19125	2.5
283.20624	14.0
285.18881	2.9
287.17703	4.2
289.19601	4.2
291.21155	3.7
293.19275	2.8
295.20621	5.3
299.20383	4.2
301.19345	3.0
309.22351	3.3
331.24191	5.3
333.22232	3.5
341.30566	3.0
343.24261	2.5
347.24023	3.3
349.25385	9.9
375.26907	4.2
435.44330	2.5
491.35434	3.0
509.35513	2.3
527.35767	2.2
547.39319	4.8
565.40436	24.3
583.41571	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01858	1.6
55.05511	14.7
55.85914	1.4
57.07080	8.8
58.67349	1.1
59.05000	4.1
63.79959	1.1
65.03941	3.6
67.05507	18.9
69.03441	4.8
69.07067	19.9
69.33944	10.6
79.05498	21.7
81.07059	29.1
83.04978	7.6
83.08611	8.7
85.06554	5.3
91.05482	37.4
93.07045	47.4
95.04980	9.6
95.08099	1.0
95.08612	28.2
97.06544	6.2
103.05477	4.2
105.07030	58.5
105.51120	1.3
107.04958	1.8
107.08598	43.7
109.06519	7.8
109.10165	21.0
111.08092	2.3
111.11729	1.7
113.09674	1.6
115.05494	4.9
116.06236	2.8
117.07013	13.2
119.04926	1.2
119.08582	62.4
121.06528	5.0
121.10145	51.6
123.08065	13.9
123.11712	8.1
125.06011	1.5
125.09646	4.3
128.06219	12.7
129.07007	11.7
130.07831	6.7
131.08572	28.8
132.09375	1.3
133.06517	2.8
133.10126	37.5
133.11072	2.0
135.08041	6.3
135.11670	14.2
137.09615	8.7
139.11206	1.8
141.06970	6.5
142.07780	19.5
143.08568	33.8
144.09331	5.0
145.06558	1.5
145.10124	48.1
146.07306	1.8
147.08067	8.8
147.11678	14.5
149.09656	7.8
149.13271	3.1
150.32051	1.2
151.07550	11.2
151.11203	1.4
152.06198	1.3
153.07004	4.7
154.07816	3.3
155.08562	15.8
155.10657	1.9
156.09331	16.1
157.10138	52.1
158.10930	8.0
159.08084	4.8
159.11690	26.9
161.09595	6.3
161.13289	5.4
163.11191	6.6
165.07014	5.0
165.09123	13.2
166.07806	4.0
167.08591	10.3
167.10672	26.9
168.09398	7.8
169.10147	25.5
170.10924	7.0
171.08177	2.0
171.11696	29.1
172.12491	3.0
173.09593	2.6
173.13264	23.1
175.11226	3.3
175.14853	8.7
177.12770	2.3
178.07832	2.0
179.08569	12.0
180.09360	4.9
181.10127	13.7
181.12263	5.3
182.10938	8.5
183.08102	1.3
183.11696	23.1
184.12541	4.3
185.09651	2.0
185.13283	14.4
187.11198	2.9
187.14841	7.7
189.12772	6.6
189.16296	1.4
191.08591	1.8
191.14355	6.8
192.09409	4.5
193.10127	13.6
194.10925	9.4
195.11700	22.3
196.12512	5.4
197.13268	20.1
198.13858	1.4
199.11287	2.9
199.14827	13.0
201.16455	4.1
203.14310	7.7
204.09381	1.4
205.10107	3.8
206.10953	7.2
207.11751	16.6
207.13817	7.4
208.12544	6.4
209.09781	1.4
209.13255	26.5
210.14032	4.9
211.14816	11.0
213.12737	2.0
213.16472	4.0
215.14355	3.9
217.10155	4.5
217.15886	10.2
218.10916	2.8
219.11716	8.1
219.13515	1.4
220.12469	5.1
221.13295	16.9
221.15446	27.1
222.14053	3.6
223.14799	12.5
224.15607	2.2
225.12865	1.4
225.16374	5.4
227.14474	2.8
227.18155	1.4
229.10158	1.9
229.15938	1.8
230.10989	1.5
231.11757	5.5
232.12527	4.9
233.13266	8.1
233.15454	10.6
234.14050	2.2
235.14809	12.8
236.15628	2.9
237.12723	2.4
237.16383	9.3
239.14320	1.6
239.18001	4.4
243.11713	1.6
244.12613	3.2
245.13304	6.5
246.13974	6.5
247.14870	7.5
248.15675	3.5
249.16415	9.1
250.17238	1.8
251.14339	2.0
251.17958	5.0
253.15959	1.5
253.19487	2.0
255.17398	1.6
257.13263	1.9
257.18921	6.2
258.14108	3.0
259.14865	6.0
260.15652	5.7
261.16412	6.5
263.17880	6.5
265.19519	6.5
269.18942	6.0
270.13953	1.4
271.14841	3.1
271.20776	1.3
272.15720	2.0
273.16452	3.8
274.17191	2.8
275.17923	9.7
276.18887	2.0
277.19629	5.3
279.21014	2.6
281.19000	2.6
283.20569	11.5
284.15668	1.5
285.18686	2.6
287.17679	2.6
289.19604	2.6
290.20163	1.9
291.21088	1.4
293.19025	1.5
295.20557	4.4
297.22238	2.3
301.19495	3.4
303.21143	1.9
307.20508	1.6
312.20959	1.7
315.20947	2.0
317.22623	2.1
323.24094	1.3
327.21170	1.7
329.22623	2.4
331.24298	4.0
333.22272	2.0
335.23981	1.7
338.69144	1.3
343.24109	2.3
347.23755	4.3
348.24319	1.6
349.25162	6.2
357.25818	2.6
361.25323	2.8
375.26932	2.3
403.30045	6.9
427.30011	1.9
491.35532	2.3
503.35159	2.4
509.34622	1.7
547.39178	6.0
565.40436	24.5
583.41467	100.0
584.41968	2.0
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
53.03940	6.2
55.01854	1.4
55.05509	18.6
57.07072	14.7
57.14896	1.7
58.14106	1.4
59.04995	4.4
65.03934	6.0
67.05505	30.8
69.03422	7.5
69.07072	19.5
69.33940	14.9
71.08627	2.3
79.05486	24.6
81.07056	40.5
83.05002	8.1
83.08610	12.2
85.06540	6.6
89.01079	1.4
91.05473	46.9
93.07041	61.3
95.04972	11.4
95.08605	40.4
97.06532	4.6
97.10184	2.1
98.21530	2.9
98.98476	6.4
99.08102	2.2
100.96210	1.5
103.05444	3.2
105.07030	80.8
107.08594	47.7
109.06513	11.6
109.10151	26.0
109.10835	2.7
111.08092	4.4
115.05442	5.7
116.06158	1.6
117.07013	18.4
119.08578	88.4
121.06502	6.0
121.10142	50.7
123.08057	18.4
123.11707	6.6
123.12611	1.5
125.05985	3.7
125.09624	3.4
128.06207	15.5
129.07014	19.2
130.07800	8.3
131.08563	40.7
133.06535	2.0
133.10135	42.3
133.11086	3.1
135.08052	12.6
135.11714	13.1
137.09625	12.1
139.11188	3.2
141.06992	10.1
142.07780	25.6
143.08554	48.8
144.09297	7.6
145.06458	2.5
145.10114	56.2
147.08035	17.4
147.11658	17.9
149.09627	7.0
149.13258	4.3
150.18269	1.7
151.07565	16.6
153.07013	6.3
154.07790	4.6
155.01056	5.6
155.08553	20.6
155.09697	2.2
156.09337	22.6
157.10130	59.0
158.10902	7.4
159.08051	2.8
159.11693	30.3
161.09630	6.9
161.13240	8.7
163.11176	9.2
165.07022	8.1
165.09105	39.1
166.07845	4.4
167.08588	12.9
167.10626	11.2
168.09361	10.1
169.10126	32.4
170.10916	8.4
171.11699	37.5
172.12444	2.4
173.09634	4.3
173.13258	28.4
173.14642	2.0
175.11249	4.6
175.14806	10.2
177.12781	2.8
178.07802	2.8
179.08569	14.0
180.09375	7.0
181.10115	19.6
181.12096	7.5
182.10886	11.6
183.11682	34.0
184.12483	6.6
185.13240	21.0
187.11192	5.0
187.14836	9.9
189.12762	5.5
191.08493	2.2
191.14310	12.8
192.09389	8.8
193.10123	16.1
194.10912	13.4
195.11688	25.6
196.12535	6.1
197.13264	21.7
199.11150	2.9
199.14819	19.3
202.07677	1.7
203.08656	3.6
203.14276	18.1
205.10202	5.9
205.15900	1.7
206.10930	8.7
207.11737	22.4
207.13828	8.0
208.12440	8.2
209.13254	31.4
209.15237	2.5
210.13951	3.6
211.11307	1.7
211.14769	14.1
213.12746	2.7
213.16411	4.4
215.14346	3.4
217.10162	4.2
217.15878	10.9
218.10893	5.2
219.11696	9.7
220.12473	6.3
221.13278	18.6
221.15425	75.4
222.14014	4.6
223.14793	18.9
225.16380	7.5
227.14441	3.0
227.18039	3.0
229.10095	1.7
229.15964	1.9
231.11740	6.1
231.17433	2.5
232.12474	4.9
233.13266	12.8
233.15462	5.4
234.14098	5.9
235.14786	14.3
236.15555	2.3
237.16415	7.6
238.17250	1.9
239.18013	5.1
243.11815	4.4
243.17320	2.9
244.12526	3.0
245.13220	7.7
246.14131	5.9
247.14810	12.3
247.16898	3.7
248.15657	2.6
249.16383	10.4
250.17374	2.4
251.14362	1.8
251.17990	4.1
253.19650	2.3
255.17514	2.9
257.13263	4.4
257.19006	7.6
258.14038	4.6
259.14932	6.3
260.15680	6.4
261.16351	11.0
262.17313	4.4
263.17911	8.0
265.19583	10.0
267.11661	1.9
269.19025	4.9
270.13953	2.3
271.14761	2.8
273.16452	6.1
275.17856	12.9
276.18842	1.7
277.19522	4.7
279.17490	1.9
279.21072	3.2
281.18997	3.0
283.20560	18.1
285.16226	2.6
287.20276	3.6
289.19598	5.1
291.21225	3.2
295.20605	4.3
297.22189	5.5
299.20496	2.9
300.20990	3.0
301.19284	3.4
303.21057	2.4
305.22943	2.0
309.22324	2.5
315.21176	3.6
327.21161	2.0
331.24045	8.2
341.30615	6.2
343.24350	2.7
347.23865	1.9
349.24969	7.4
352.24069	2.2
357.25739	2.3
359.23965	1.6
365.24786	2.7
375.26761	8.5
377.24701	2.1
403.29968	7.7
491.34903	5.7
503.35153	6.5
509.34299	3.6
547.39258	2.5
565.40399	21.9
583.41498	100.0
584.42145	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24380	1.1
53.03943	3.4
55.05510	11.8
55.68865	1.0
57.07069	9.0
59.04993	3.6
65.03927	2.9
65.60914	1.0
67.05504	21.9
69.03426	7.3
69.07066	15.3
69.47307	1.8
69.47713	8.3
79.05497	20.5
79.79134	1.0
81.03453	1.2
81.07052	25.9
83.04988	6.4
83.08636	7.0
85.02944	1.1
85.06551	5.5
85.81308	1.0
91.04903	1.2
91.05058	0.8
91.05479	36.2
93.07043	45.4
93.57553	1.3
95.04966	8.2
95.08603	32.7
97.06532	5.1
97.10175	1.5
98.98467	1.7
103.05496	1.7
105.07028	55.6
107.08594	35.6
109.06519	9.1
109.10153	17.3
111.08086	2.5
115.05450	3.4
115.52158	1.1
116.06234	1.9
117.07012	11.5
119.04955	1.1
119.08579	65.5
121.05750	1.0
121.06521	4.8
121.10142	40.8
122.07241	1.3
123.08075	16.6
123.11710	5.1
125.06013	2.5
125.09657	1.1
128.06223	9.7
129.07016	14.0
130.07814	5.4
131.08566	27.8
132.09406	1.5
133.06485	3.2
133.10130	34.4
135.08038	9.0
135.11687	10.7
137.09604	9.9
138.37549	1.1
139.11180	1.5
141.06975	6.6
142.07770	19.1
143.08562	31.8
144.09355	7.2
145.06493	1.7
145.10123	41.8
147.08043	15.0
147.11679	12.0
149.09619	5.3
149.13275	4.0
151.07552	17.2
153.06987	4.6
153.09050	1.4
154.07768	2.3
155.01028	1.8
155.08546	14.4
156.09358	14.8
157.10127	47.9
158.10918	7.5
159.08067	3.4
159.11685	20.5
161.09662	5.1
161.13197	5.3
163.11186	5.3
165.07011	8.0
165.09103	29.3
166.07838	3.1
167.08536	8.1
167.10651	11.3
168.09331	8.4
169.10132	25.2
170.10884	7.6
171.11681	26.2
173.09673	3.9
173.13264	19.5
175.11195	4.2
175.14870	7.9
178.07777	1.5
179.08536	13.0
179.14532	1.3
180.09386	5.3
181.10110	12.9
181.12230	4.6
182.10905	9.4
183.11681	24.2
183.13205	1.8
184.12511	3.1
185.09700	1.8
185.13260	17.1
187.11198	2.8
187.14795	6.0
189.12761	6.5
191.08655	1.1
191.14310	6.9
192.09393	4.8
193.10153	11.9
193.63916	1.1
194.10887	9.4
195.11694	19.4
195.13449	2.2
196.12515	4.6
197.13251	18.2
198.14145	2.1
199.11217	3.0
199.14819	13.2
201.12743	2.5
201.16360	2.4
203.14288	13.9
205.10182	4.1
205.15884	1.2
206.10902	6.5
207.11732	16.4
207.13835	7.7
208.12453	6.2
209.13251	24.3
209.15179	1.2
210.14053	2.2
211.11308	1.3
211.14767	11.1
212.15530	1.6
213.12839	2.1
213.16467	3.6
215.14352	1.3
216.09312	1.5
217.10181	2.5
217.15871	6.3
218.10933	1.5
219.11681	7.1
220.12491	4.8
221.13271	14.0
221.15422	55.4
222.14090	3.8
223.14787	13.5
224.15611	1.6
225.12941	2.0
225.16441	6.2
227.14304	2.0
227.18019	1.8
229.15781	1.4
230.10875	1.7
231.11714	4.5
231.13795	2.5
231.17393	3.5
232.12509	3.3
233.13263	9.2
233.15440	4.7
234.14070	3.7
235.14813	10.2
236.15688	3.2
237.16327	8.1
239.14413	1.9
239.17981	4.5
243.11772	2.3
244.12614	1.6
245.13382	6.0
246.14087	4.5
247.14819	7.3
247.16934	1.4
248.15692	2.4
249.16333	8.4
250.17191	2.1
251.18031	4.1
253.15891	2.7
253.19673	1.7
255.17557	1.6
257.13245	2.5
257.18958	5.7
258.14157	2.2
259.14923	4.7
260.15634	4.3
261.16287	7.8
262.17419	1.4
263.17929	6.5
264.18637	1.7
265.19531	5.4
269.19055	4.1
271.14685	2.2
271.20544	2.8
273.16422	5.0
274.17145	1.5
275.17911	10.7
276.18613	1.9
277.16321	1.3
277.19547	5.0
279.17361	2.1
279.21082	2.6
281.19073	3.2
283.15048	1.3
283.20584	12.9
287.17599	1.7
287.20441	2.5
288.18716	1.3
289.19562	4.3
291.21191	2.3
293.18970	2.6
295.20724	3.5
297.22116	5.3
299.20261	2.4
300.21042	1.8
301.19250	2.1
307.20682	2.4
309.22058	1.8
314.94806	1.3
315.21045	1.7
327.21024	2.4
329.22751	2.2
330.23355	1.2
331.24246	5.2
335.23529	1.4
341.30417	1.7
347.23749	2.4
349.25244	6.7
351.22729	1.7
352.23907	2.5
357.25830	2.4
359.23907	1.7
361.25363	1.7
365.24673	3.1
368.24557	1.2
375.26907	5.7
385.28922	1.7
403.30154	8.4
473.33951	1.3
491.35144	5.1
503.35333	4.5
509.34320	2.5
547.39307	4.0
565.40393	29.4
583.41461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74898	0.6
51.35501	0.6
53.03965	0.6
54.21646	0.6
55.05510	1.6
57.03434	0.7
67.05507	5.4
69.03433	0.8
69.07076	1.7
71.04994	2.2
71.21046	0.8
71.21396	1.3
71.57989	0.6
79.05501	2.8
79.83137	0.6
81.03416	3.0
81.07070	3.9
83.04975	1.1
83.08611	1.0
85.02930	0.7
85.29605	0.6
91.05495	3.5
93.07060	2.0
95.04953	1.4
95.08607	1.5
97.06520	0.8
105.07061	3.5
107.08595	1.5
109.10165	1.7
111.08122	0.6
119.08610	1.4
121.10195	1.4
123.11700	0.7
131.08595	1.4
133.10144	2.3
135.08162	0.6
145.10127	0.8
147.11760	1.1
149.09718	0.9
149.13318	1.0
151.11198	0.9
159.11681	1.0
229.14275	0.9
235.77377	0.5
267.15686	1.8
283.15216	11.5
323.18347	1.8
339.17783	3.6
343.45767	0.6
583.34558	100.0
585.76526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3601
Annotation	Camangeloyl acid
Peak:m/z	Relative Intensity
55.05515	1.2
57.03421	1.7
60.01011	0.8
67.05496	6.0
69.07050	1.4
69.53672	0.8
69.54032	7.0
79.05499	2.7
79.34898	0.8
81.07058	5.4
91.05460	3.1
93.07042	4.3
95.04979	1.1
95.08612	5.1
105.07048	1.5
107.08591	1.7
109.10181	2.1
119.08575	2.2
121.10113	1.3
135.11691	1.2
145.10083	1.2
149.37730	1.0
181.89565	0.8
189.03716	0.9
249.10983	33.3
262.10645	1.1
305.13538	3.0
334.86014	1.0
583.35986	100.0
584.36346	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	583.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	1.4
56.46142	1.7
57.03421	4.2
61.02930	1.5
65.03935	1.3
67.05521	2.1
68.99783	1.5
69.03426	11.5
70.06603	2.0
71.04995	17.3
71.61215	2.3
71.61578	2.0
72.08153	3.4
77.03882	1.2
79.05488	3.3
81.03401	2.7
81.07045	3.8
83.04990	2.6
85.02901	24.8
86.09689	1.8
91.05481	4.2
93.07057	3.3
95.04971	3.3
95.08578	1.4
97.02869	3.7
99.04405	1.4
100.94688	1.4
103.05450	2.6
105.07025	1.8
107.04952	100.0
107.08549	1.8
109.02888	5.2
109.10151	1.6
111.04395	2.4
111.29044	1.3
117.07024	1.8
119.04966	2.7
121.02853	1.9
121.06503	4.7
121.10061	1.4
122.06002	1.4
123.04445	3.4
127.03899	4.8
129.05482	4.3
131.04912	5.9
131.08498	1.9
133.10138	1.8
135.04375	1.5
136.07539	1.7
137.05971	10.1
143.05644	5.3
145.05017	1.5
145.06444	2.1
147.04414	2.7
149.05962	8.6
149.09636	1.8
151.03920	6.4
151.07558	1.9
153.01831	3.2
153.05452	2.4
161.05971	2.4
163.03870	3.9
164.07117	1.9
165.05490	1.8
167.07036	13.2
169.04950	3.2
173.06004	4.5
175.03911	3.3
177.05484	3.8
181.04935	7.2
191.07063	2.3
193.04990	8.8
205.04955	2.3
207.06538	5.2
209.15401	1.7
211.06004	5.2
215.06979	2.8
217.04903	4.2
219.06485	3.9
235.06029	6.1
259.06024	1.8
261.07486	1.6
271.05994	21.6
272.06345	26.1
273.06589	33.0
274.06802	18.1
275.06973	7.5
275.09686	8.0
277.06973	1.4
287.05615	1.7
287.09167	3.2
299.09076	6.2
317.10233	12.6
341.10104	12.5
353.10181	5.1
365.10165	4.1
367.11661	4.8
368.28531	1.8
383.11371	7.6
385.12891	3.0
391.11877	1.7
401.12338	4.0
403.13846	1.5
409.13077	1.8
419.13416	5.2
539.24640	1.7
583.20459	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	583.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.5
56.96556	2.1
57.03442	1.6
63.53558	1.1
65.03941	4.4
67.05530	1.2
68.99793	7.2
69.03420	3.1
70.06574	2.1
71.59706	1.7
71.60081	1.6
72.08134	1.2
77.64580	1.3
81.03403	3.5
83.04992	2.7
84.08157	1.8
85.02913	8.3
85.79523	1.1
86.09679	1.6
87.06670	1.3
91.05476	3.9
93.03412	2.7
95.04970	3.1
97.02897	7.5
98.97590	2.2
100.53840	1.2
103.05450	2.1
105.07036	2.7
107.04955	4.5
109.02861	5.1
111.04458	4.9
112.50334	1.3
116.98571	1.6
117.07014	1.6
119.04923	7.5
121.02869	100.0
122.06089	1.6
123.04409	3.0
127.03934	1.9
131.04939	1.7
135.04419	4.6
136.07646	1.3
137.02341	2.0
137.05954	2.1
139.03894	5.2
143.05678	6.2
145.02835	2.5
145.06587	1.5
147.04405	6.6
149.02357	2.3
149.05981	2.8
151.03923	6.5
153.01816	2.7
159.04396	2.4
159.07938	1.3
161.01237	2.1
161.05980	2.4
163.03922	21.1
165.01839	3.0
165.05553	1.8
167.07082	2.3
173.05978	3.3
175.03947	8.0
177.01883	1.9
177.05518	6.4
181.04956	5.5
183.02916	2.9
187.03946	3.4
189.01923	2.9
189.05408	2.9
191.03465	3.8
193.04974	2.5
195.02840	7.3
199.03951	1.6
201.02029	1.4
201.05447	4.4
201.09059	2.6
203.03395	4.5
205.04987	6.3
207.02968	5.9
207.06596	1.8
213.05452	2.8
215.03494	1.9
217.04929	5.9
219.02922	7.5
225.03876	4.5
229.04967	4.8
229.98804	1.3
231.02951	7.5
233.04327	2.8
235.05994	3.6
237.04073	1.8
241.04999	2.8
243.02937	6.9
243.06604	2.4
245.04443	3.1
247.06046	3.9
249.03944	8.4
253.04727	1.5
257.04300	2.4
259.05978	2.8
261.03888	11.6
265.06992	2.2
269.04465	2.1
271.06070	7.1
273.03998	6.0
279.05109	3.6
281.04285	1.5
283.05902	2.6
285.03918	7.4
287.05573	1.7
288.12106	1.7
289.07086	4.0
291.05048	7.1
295.05930	9.3
299.05600	1.6
301.07028	1.8
303.05029	2.4
307.06052	5.2
308.06653	2.1
309.06052	7.0
313.07004	4.2
315.04950	8.1
321.07697	2.2
325.07001	5.7
327.05014	3.6
331.08081	1.5
333.06091	4.8
335.09045	1.7
337.07025	6.9
339.07254	2.0
345.06122	5.3
347.09335	1.6
349.06873	7.9
351.08380	1.8
355.08032	1.5
357.06177	3.2
361.07004	2.5
363.07178	8.3
367.07657	2.9
375.07248	8.5
379.08084	14.7
391.08072	6.0
393.08154	10.7
397.09146	7.7
403.07990	2.0
409.09000	10.0
411.09274	8.8
415.10211	3.1
421.09116	3.9
425.08502	1.7
427.10150	10.3
429.10394	2.9
433.09042	6.4
433.50412	1.7
439.09918	1.8
445.11365	7.2
451.10406	2.6
457.10880	3.6
463.10114	3.7
469.11163	4.2
475.10544	2.4
481.11279	8.8
493.11243	4.3
499.12094	2.6
511.12399	8.3
529.13269	5.7
547.14386	3.7
565.15363	2.1
566.22083	1.8
583.22559	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	583.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01867	0.6
55.05501	1.2
56.32764	0.5
56.96571	0.7
57.03415	0.5
67.05502	4.8
69.03426	1.5
69.07050	1.1
71.04990	0.8
79.05469	1.9
81.03419	4.3
81.07043	3.0
83.04966	0.5
83.08611	1.0
85.02898	1.4
91.05490	3.2
93.07035	2.0
95.04977	4.7
95.08589	1.9
97.02860	1.6
105.07015	1.7
107.08557	1.6
107.72626	0.5
109.02882	1.6
109.06526	0.7
109.10130	2.9
111.04491	0.5
111.07989	0.6
115.05467	0.8
117.07000	0.7
119.04905	0.6
119.08588	1.6
121.02858	0.7
121.06448	0.6
121.10151	0.8
123.04477	0.8
123.08093	0.5
127.03910	1.7
131.04904	0.9
131.08563	0.7
132.47186	0.6
133.10126	1.5
135.04369	0.5
135.07950	0.6
135.11639	0.6
137.02339	1.0
137.05992	1.4
137.09624	0.6
140.42960	0.5
140.60013	0.5
142.18661	0.5
143.05655	0.9
143.08449	0.7
145.10065	0.7
147.04355	1.0
147.11661	0.9
149.46284	0.6
151.03882	0.8
156.48337	0.5
157.06537	0.7
160.05211	0.9
161.09625	0.5
163.03821	0.5
167.07042	3.9
171.04391	3.4
171.11697	0.6
173.11736	0.7
173.13185	0.5
175.03899	0.7
187.03873	3.7
188.04733	3.1
191.07133	0.6
193.12190	0.7
199.03976	4.4
200.04842	0.6
201.05466	0.6
203.06995	1.1
209.15408	0.7
211.13351	0.8
213.05577	0.8
216.04111	3.3
227.03418	2.2
228.04105	0.8
229.14386	0.8
229.73225	0.5
231.06621	2.8
241.04939	3.1
244.03680	28.9
245.04361	2.0
259.06027	11.7
269.10770	0.6
272.03143	3.1
281.04498	0.7
282.05240	1.4
283.06003	0.8
287.05499	100.0
288.05676	0.6
297.07529	6.6
318.09106	0.6
583.14465	2.9
583.31586	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	581.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86463	0.9
53.03942	2.6
55.01867	2.1
55.05510	21.7
57.07071	2.9
59.04998	2.3
65.03938	1.8
67.05505	39.6
69.03434	3.0
69.07068	19.1
69.39478	1.7
69.39879	7.8
70.47267	1.1
71.04990	1.8
79.05492	24.6
81.03408	1.8
81.07056	41.7
83.04988	2.7
83.08614	13.0
85.06547	3.5
89.39909	0.9
91.05482	26.4
93.07044	32.0
93.07626	1.8
95.04985	4.5
95.08606	37.8
95.71448	1.1
97.06552	5.2
97.10143	6.7
99.08081	1.4
105.07027	33.8
107.08594	24.2
107.09290	1.4
109.06538	3.5
109.10152	17.3
109.10909	1.1
111.08095	2.3
111.11745	1.8
115.05489	2.3
116.06273	1.1
116.96378	1.0
117.07027	16.9
117.79425	0.9
119.08579	31.2
121.06525	1.3
121.10141	17.6
123.08109	3.5
123.11716	4.8
125.09653	4.6
128.06250	5.7
129.07013	18.8
129.07912	1.5
130.07848	2.7
131.08566	29.1
133.10121	24.2
133.11047	1.6
135.08102	1.2
135.11694	8.9
137.09645	3.4
137.13286	1.8
139.11179	2.0
141.06990	5.6
142.07776	6.5
143.08556	24.2
144.09387	2.5
145.10121	26.1
147.08090	1.6
147.11679	11.8
147.12584	1.2
149.03476	1.0
149.09602	2.1
149.13226	4.9
152.18764	1.1
153.06982	1.2
153.12816	1.1
154.07843	2.1
155.08560	12.4
155.10648	1.4
156.09409	3.0
157.10130	25.4
158.10942	1.5
159.11705	19.4
161.13254	6.2
163.11220	1.7
163.14883	1.6
165.07008	1.7
165.09192	1.5
165.20648	0.9
167.08641	3.8
167.10747	2.5
168.09383	1.6
169.10132	17.2
170.10966	2.3
171.11690	23.6
172.12444	1.3
173.13277	13.2
173.14653	1.2
175.14896	3.6
177.12723	0.9
177.16428	1.8
179.08652	2.9
180.09363	1.4
181.10103	5.7
181.12279	1.5
182.10944	2.4
183.11694	15.7
184.12486	1.2
185.13240	16.4
187.14813	8.1
189.16501	2.9
191.14288	1.1
192.09453	0.9
193.10216	2.7
194.11000	2.1
195.11678	7.9
196.12576	1.9
197.13258	11.5
197.14688	1.1
198.13919	0.9
199.14827	12.0
201.16356	4.5
203.18024	1.4
205.10213	1.3
206.11060	1.0
207.11771	3.0
208.12640	1.1
209.13292	6.8
209.15076	1.1
211.11363	1.2
211.14799	6.7
213.16399	7.4
215.14377	1.7
215.17989	1.4
220.12621	1.0
221.09251	1.0
221.13348	3.9
221.15427	2.7
223.14891	4.5
225.12933	1.0
225.16422	6.4
227.17981	6.3
234.14116	1.0
235.14847	3.3
235.17047	1.8
237.16512	2.6
239.18045	3.4
241.19623	2.8
245.15878	0.9
247.14867	1.4
249.16339	1.7
251.18089	2.4
253.19691	2.5
255.17764	1.1
255.21124	1.5
263.17929	1.4
263.20380	1.5
265.21893	1.7
267.20996	1.5
273.18900	1.2
277.19424	2.0
281.18918	1.3
283.20712	2.2
285.22058	1.6
287.05713	2.6
287.20175	1.1
289.21936	1.4
291.23340	1.2
297.22113	1.7
299.20050	1.1
303.23434	1.2
307.20596	1.1
309.22223	1.8
311.23541	1.5
315.23419	2.1
317.25052	2.1
323.23926	1.8
327.23380	2.3
329.24918	1.8
331.26526	1.7
337.25388	1.7
341.24936	2.6
343.26419	1.3
345.28043	2.6
351.26898	2.2
355.26437	3.1
365.28854	1.6
369.28055	3.6
371.29541	2.7
379.30322	1.6
381.28204	1.1
383.29544	4.6
391.29987	1.0
397.31320	2.3
411.33020	2.6
425.34229	1.8
429.31610	1.2
447.33130	3.8
473.36411	1.7
479.35696	2.8
499.39310	2.6
511.37805	2.2
513.39600	1.1
517.40497	8.6
531.42273	1.6
549.42975	17.3
563.39154	1.6
581.45886	100.0
582.46149	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.15
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
50.55568	0.2
59.06112	0.7
65.65979	0.2
67.01852	0.4
68.99786	0.4
69.03447	1.0
69.69650	1.2
69.70067	0.3
70.06608	1.4
73.02898	0.3
81.03386	0.4
82.33231	0.2
83.70066	0.2
85.02885	0.9
85.07665	2.2
87.04465	0.3
89.03961	0.3
89.06017	0.2
91.05479	0.3
97.02899	0.5
107.04939	0.5
111.04342	0.2
111.09187	0.4
115.03913	0.2
118.61095	0.2
128.11842	1.9
133.05006	0.2
135.04419	1.6
137.02348	0.7
143.05626	0.5
145.02931	0.2
153.01823	4.5
161.02327	0.4
167.07045	0.6
171.02876	0.7
175.94855	0.2
177.05511	0.3
179.03432	0.4
181.08607	0.2
207.06456	0.3
223.25916	0.2
241.04993	0.5
269.04364	0.4
271.05872	1.0
272.06351	0.8
273.06631	0.7
287.05490	100.0
288.05783	0.4
303.05023	1.9
324.11392	0.5
349.13300	0.5
411.09772	0.2
449.10782	2.4
491.29181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1499
Annotation	Kaempferol 3-apiosyl-(1->2)-galactoside
Peak:m/z	Relative Intensity
51.77153	0.1
56.96179	0.1
57.03423	0.5
57.94534	0.1
60.91473	0.1
67.01856	0.4
68.99799	0.3
70.76443	0.3
70.76784	0.1
73.02924	1.1
77.44765	0.1
85.02883	0.2
89.03909	0.2
96.75121	0.1
97.02878	0.2
115.03931	0.1
117.03360	0.2
123.00870	0.1
135.04428	1.1
137.02350	0.2
153.01834	3.6
161.02332	0.5
171.02864	0.5
179.03448	0.2
213.05478	0.1
241.05009	0.5
263.05615	0.1
269.04391	0.3
283.05951	0.2
284.06607	0.2
285.06815	0.2
287.05496	100.0
288.05832	0.8
313.07318	0.2
315.07745	0.2
432.52231	0.1
435.11874	0.5
449.10818	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	581.1497
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
53.82722	1.3
55.01852	5.5
57.03422	2.0
61.02929	2.4
69.51203	12.8
69.71436	1.2
81.03400	2.0
85.02884	4.1
90.94655	1.3
107.01346	1.5
107.04960	2.5
109.02846	2.4
121.02826	1.8
135.04410	10.4
137.02328	35.4
159.04324	1.6
161.02335	5.5
175.03757	1.9
177.01744	1.8
177.05388	2.0
179.03435	4.4
183.02718	1.5
187.03874	2.8
189.01787	7.0
191.03386	5.7
193.05093	1.7
195.02916	7.0
199.03931	2.7
201.05530	2.0
203.03377	17.0
207.02835	7.9
209.04430	2.0
213.05492	1.7
215.03377	5.0
217.04988	6.7
219.02870	4.6
221.04410	5.8
227.03346	3.3
229.04944	3.6
233.04367	5.5
243.02684	2.5
245.04442	3.8
255.02856	2.7
257.04300	1.6
267.06512	2.1
271.05939	2.9
273.04010	2.6
283.06039	3.6
284.06696	3.4
295.05923	5.8
296.06732	2.9
297.07520	5.0
299.05466	7.0
300.06274	2.4
307.05835	2.7
308.06757	2.9
309.07474	4.2
310.04718	14.6
311.05475	73.4
312.06210	5.5
313.07034	8.5
321.07648	4.6
322.08456	2.7
323.05475	47.8
323.08740	2.0
324.06277	16.0
325.07037	17.3
326.07339	1.8
329.06436	6.8
333.07556	3.7
335.05527	6.9
336.06204	6.4
337.07062	43.6
338.07712	8.9
339.04965	3.2
339.08539	5.5
341.06549	66.4
345.07465	4.2
347.05502	2.5
349.07010	22.6
350.07678	2.1
351.04608	1.5
351.08594	21.9
352.05658	4.2
353.06570	47.7
355.08072	4.3
359.59454	1.9
361.07031	16.9
362.07825	1.8
363.08722	7.3
365.06506	47.3
365.10803	3.3
367.08124	26.2
371.07605	9.1
375.08505	3.5
377.06531	28.6
377.11087	1.9
378.06799	2.2
379.08057	28.4
381.09732	3.0
383.07455	7.1
389.06326	11.5
391.08063	12.1
393.09790	2.3
395.07605	65.2
395.12781	3.1
397.09006	2.0
403.07956	7.5
405.09894	3.2
407.07623	58.0
409.09018	2.2
413.08505	12.9
417.09924	4.9
419.07654	13.4
421.09296	3.9
425.08664	77.2
431.07779	8.3
433.09329	3.4
435.11398	3.0
437.08749	7.9
443.09738	100.0
444.09854	2.3
445.09323	2.5
449.08746	13.1
455.09558	6.4
461.10327	14.6
467.09760	9.7
473.10760	16.2
479.09558	4.9
485.10828	8.0
491.10315	7.9
497.10791	38.2
509.10818	16.2
515.11853	25.1
527.11841	65.6
528.12061	2.4
545.12897	34.9
563.13831	15.8
581.14465	8.5
590.78876	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38299	1.3
56.74344	1.4
57.07079	2.2
62.54493	1.3
62.60799	1.3
63.68307	1.3
64.61443	1.5
67.05538	1.5
67.34926	1.4
68.03848	1.4
69.32115	8.8
69.32545	5.3
70.93491	1.4
81.07051	1.4
90.70282	1.2
95.08579	1.8
267.15732	4.9
271.06015	3.8
323.18469	5.6
330.39502	1.3
389.01321	1.3
463.44391	1.5
500.97653	1.9
579.42316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
55.01865	11.8
55.05505	30.4
56.96563	3.0
57.03434	18.9
57.07071	3.2
59.04998	3.7
61.02930	13.3
65.03943	5.0
67.05505	97.6
69.03422	10.4
69.07065	61.4
69.93114	4.7
69.93510	7.5
71.04990	10.0
73.02922	3.7
79.05052	4.8
79.05486	53.8
81.03426	21.0
81.07056	73.7
81.73193	2.7
83.04977	10.9
83.08621	14.6
85.02883	15.8
85.06530	7.4
91.03982	3.7
91.05479	58.3
93.07047	45.4
95.04974	16.8
95.08613	48.8
97.02910	7.1
97.06528	22.9
97.10166	8.7
98.20724	3.8
99.08073	3.9
103.03954	3.7
105.07035	38.8
107.04951	11.6
107.08597	35.0
109.02860	6.0
109.06516	8.8
109.10153	51.3
111.04461	2.8
111.08082	7.8
117.07011	17.8
119.04967	5.2
119.08571	34.6
121.06501	5.9
121.10163	19.1
123.04469	3.1
123.08066	11.3
123.11697	6.5
125.09617	7.1
127.03934	7.6
128.06187	3.7
129.05481	6.0
129.07036	5.2
131.08569	20.1
133.06461	3.2
133.10120	36.6
135.08017	5.8
135.11710	22.0
137.05905	2.4
137.09601	11.9
141.06863	3.4
141.58528	2.3
143.08556	4.0
145.04976	2.7
145.06479	3.3
145.10109	22.5
147.04428	5.1
147.08020	3.1
147.11687	17.3
149.09599	22.6
149.13235	3.0
151.11180	6.3
153.01773	3.6
155.08565	3.9
157.10141	8.4
159.11647	17.0
161.09576	2.7
161.13266	10.7
163.11198	16.4
167.07010	12.1
168.07370	3.8
169.10109	4.1
171.10146	12.0
171.11647	6.1
173.11740	16.1
173.13275	11.1
175.03992	5.8
175.11211	6.7
177.12726	7.5
179.14333	6.5
183.11729	3.3
185.13193	3.2
189.12782	2.7
197.13203	2.7
207.06512	11.6
223.13356	4.6
227.12714	2.6
229.14330	29.7
239.17845	5.1
243.15903	9.4
251.16530	2.6
253.18033	9.1
255.15909	9.8
257.19000	10.0
267.15793	4.0
271.06015	14.9
271.15463	5.0
272.06390	20.9
273.18542	3.6
275.20065	44.5
285.16940	3.5
287.05490	10.2
291.19437	3.2
293.21127	7.2
349.23752	100.0
365.50159	2.5
367.24841	8.1
383.24438	3.3
479.86404	3.2
580.33044	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.4
55.01867	8.5
55.05515	30.1
57.03429	11.5
57.07055	4.9
65.03941	6.4
67.05507	100.0
67.05878	4.9
69.03440	7.3
69.07076	23.2
69.62916	2.7
71.04992	7.7
71.60439	5.1
79.05062	5.4
79.05496	62.2
81.03406	9.2
81.07057	88.5
83.04977	17.7
83.08614	11.7
84.68650	2.9
85.02892	3.8
85.06537	6.2
87.94178	2.6
91.05478	41.8
93.07043	54.5
95.04976	16.1
95.08610	61.6
97.06522	8.9
97.10184	6.0
98.98444	13.0
99.04443	5.1
101.05994	2.8
105.07024	26.8
107.04948	15.5
107.08591	33.7
109.02890	2.8
109.06494	7.9
109.10172	30.0
111.04453	11.0
111.08085	5.6
111.11668	3.1
117.07038	12.3
119.08594	21.5
121.06477	4.4
121.10151	33.5
123.08063	6.5
123.11716	9.8
125.09608	5.4
127.03901	2.7
129.06960	4.2
131.08557	21.0
133.10133	18.1
133.11047	3.4
135.08032	5.0
135.11702	26.7
137.13254	3.6
143.08528	4.2
145.06427	3.6
145.10146	23.2
147.11700	14.6
149.09639	5.2
149.13274	9.0
151.11115	3.1
153.01828	4.7
153.12788	5.3
155.01047	12.0
155.08585	7.3
157.10080	5.8
159.11694	10.7
161.13286	6.9
163.11214	21.0
167.10686	4.0
171.11580	5.3
173.09621	11.7
173.11870	3.7
173.13324	8.8
175.11166	3.1
175.14841	3.9
181.12274	10.3
183.02925	3.0
185.13310	3.1
187.14748	3.7
190.07361	2.7
191.10684	12.2
209.11786	7.9
227.12698	12.8
229.14363	5.8
243.21115	6.6
245.13893	4.4
261.22205	14.7
263.23627	3.1
265.14319	13.8
267.16049	4.8
269.17218	2.8
271.06027	73.9
272.06400	3.8
279.23135	4.3
283.15335	22.2
287.05536	3.9
301.16479	23.3
317.24609	3.9
335.25858	19.1
337.27371	10.2
346.83890	2.8
362.87787	2.8
433.11411	3.8
451.32037	4.4
469.32956	5.5
487.34146	4.6
515.37653	5.1
525.35498	7.6
543.36597	14.1
561.37976	17.2
579.38098	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	579.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
54.36193	1.9
55.01869	9.5
55.05508	30.0
57.03431	12.0
57.07063	4.2
65.03921	4.7
67.05505	93.8
69.03444	2.9
69.07073	17.7
71.04988	4.8
79.05495	54.9
79.61192	2.1
81.03405	8.9
81.07055	100.0
83.04972	17.1
83.08612	11.0
85.02902	4.0
85.06551	5.5
91.05479	37.9
93.07043	64.4
95.04960	12.6
95.08602	59.9
97.06535	13.0
97.10161	5.4
99.04408	2.6
99.20385	2.2
99.22442	2.3
101.06037	2.4
105.07028	29.0
107.04946	21.0
107.08597	37.5
109.06528	3.3
109.10160	33.8
110.21691	2.1
111.04441	20.4
111.08086	9.3
117.07018	20.0
119.08570	25.5
121.06512	3.0
121.10143	41.8
123.08117	3.5
123.11710	14.4
125.09650	4.9
129.07019	4.2
131.08551	22.9
132.05707	2.1
133.10153	17.4
135.09050	2.0
135.11693	32.3
137.09698	2.3
137.13254	4.4
139.11116	2.4
143.08571	6.3
145.06485	4.9
145.10110	29.8
147.07979	3.5
147.11674	10.9
149.09613	6.5
149.13269	11.4
153.12764	8.4
155.08556	7.8
157.10149	2.7
159.11708	11.0
161.13245	6.7
163.11171	32.9
163.14844	5.3
171.11583	3.2
173.09645	12.3
173.11903	2.5
173.13303	7.1
181.12193	13.7
183.11714	2.9
185.13258	3.6
187.14853	4.8
191.10712	21.7
199.14868	2.7
201.06122	2.5
209.11725	10.8
209.15488	2.7
227.12787	27.3
243.21158	5.9
245.13542	2.7
259.20407	3.4
261.22177	20.9
265.14255	22.3
271.05991	18.2
277.21771	3.0
279.23218	7.8
283.15396	37.5
299.14917	3.5
301.16483	24.2
317.24716	6.4
333.24710	4.2
335.25781	28.1
353.26746	24.3
451.32025	7.1
469.32950	6.3
487.34164	3.6
515.37170	9.4
525.35791	5.7
536.07605	2.4
543.36725	23.9
561.37744	21.2
579.27216	4.0
579.38330	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	579.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
53.82301	2.3
53.82591	2.1
55.01877	11.5
55.05516	22.9
57.03426	9.5
57.07062	3.0
65.03935	3.4
67.05505	100.0
69.07062	18.8
71.04992	6.5
79.05063	4.9
79.05494	65.5
81.03426	10.8
81.07056	95.2
83.04986	19.5
83.08625	13.4
85.02896	3.5
85.06541	8.1
91.05482	44.6
91.58827	2.1
93.07050	71.1
95.04957	16.2
95.07989	3.7
95.08603	71.2
95.59839	2.3
97.06538	14.2
97.10168	9.5
99.04420	2.7
105.07032	32.6
107.04961	20.8
107.08591	47.2
109.06509	3.8
109.10154	42.0
111.04433	15.7
111.08089	7.0
117.07014	21.0
119.08582	26.0
121.06536	4.5
121.09299	4.9
121.10139	48.2
123.08118	3.1
123.11723	16.0
125.09607	5.5
127.62717	2.1
128.41002	2.2
129.06973	5.4
131.08563	20.0
133.03418	3.2
133.10150	18.3
135.08049	5.1
135.11693	38.3
136.66934	2.4
137.13287	2.8
143.08568	4.4
145.06461	7.4
145.10139	33.8
147.08075	2.3
147.11700	16.7
149.09627	5.2
149.13278	8.9
150.87502	2.5
153.01698	2.5
153.12733	6.7
155.08601	3.8
157.10196	5.5
159.11713	10.3
161.13283	6.5
163.11163	31.2
163.14822	5.1
169.10124	3.5
171.11716	3.9
172.91951	2.4
173.09615	18.8
173.11954	2.5
173.13283	9.9
175.11269	3.7
175.14899	2.8
179.14307	2.5
181.12233	14.1
187.14803	6.0
191.10681	16.2
201.16403	2.3
209.11641	5.5
215.14223	2.7
215.51326	2.4
219.14224	2.4
227.12776	24.1
229.14320	3.3
243.21056	5.1
259.20505	3.2
261.22128	28.0
265.14346	19.8
271.06012	33.3
272.06168	3.3
277.21625	2.6
279.23093	8.4
281.01733	2.6
283.15408	34.0
287.23740	2.6
301.16556	20.3
317.24741	9.1
333.24734	7.7
335.25790	33.1
337.27386	3.5
341.04068	3.2
353.26697	34.3
416.23904	2.6
433.30716	2.8
445.55237	2.2
451.32153	7.8
460.79327	2.3
469.32764	3.8
487.33942	5.0
489.35416	6.9
515.37097	11.2
525.35620	7.9
543.36713	24.8
561.37994	25.0
579.27112	4.2
579.38763	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	579.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15693	0.9
53.03942	3.3
55.01871	4.0
55.05513	10.1
57.03438	5.2
57.07063	4.1
61.02890	1.6
65.03931	1.9
65.10304	1.2
67.05502	69.8
69.03411	3.6
69.07065	11.1
71.04984	4.0
71.08613	1.5
73.02906	3.2
75.04467	1.8
79.05491	34.1
81.03411	6.5
81.07054	74.4
83.04961	1.8
83.08625	6.7
85.02902	5.0
85.06533	2.6
91.05474	21.0
93.07040	53.1
95.04990	5.7
95.08603	56.5
97.02894	3.0
97.06522	3.0
97.10151	3.6
98.20706	1.7
98.98475	3.0
99.04443	3.3
99.08088	2.0
105.07030	18.9
107.04916	1.2
107.07867	2.0
107.08592	36.4
109.02866	7.3
109.06522	2.3
109.10152	33.0
110.03665	3.3
111.04465	5.0
111.08054	2.1
111.11712	1.3
113.09627	1.1
117.07023	10.8
119.08579	18.2
121.06493	1.2
121.10134	31.2
123.08073	1.2
123.11711	16.5
125.09645	2.0
127.03919	7.0
129.07005	1.9
131.08560	19.9
133.10132	17.5
135.11694	26.5
137.09563	2.8
137.13266	7.5
139.11115	1.8
143.08578	3.2
145.06456	1.2
145.10121	15.0
147.11681	11.3
149.09662	1.2
149.13257	16.5
151.11211	2.6
151.14798	1.5
153.12865	1.7
155.01064	2.8
155.08501	1.5
157.10048	1.6
159.11685	15.8
161.13258	10.7
163.11174	1.6
163.14842	11.9
165.12730	2.4
169.10204	1.2
171.11650	2.3
173.13254	17.2
175.14818	4.6
177.16397	4.3
179.14282	2.5
187.14850	8.7
191.00108	3.0
191.14211	1.5
198.30763	1.1
201.16432	2.9
205.15919	2.0
215.17984	1.4
233.22678	3.5
243.21071	28.0
259.20645	1.5
261.22137	100.0
263.23734	2.0
271.06018	26.4
277.21793	1.6
279.23163	3.7
293.20889	1.1
303.23151	2.4
317.24643	1.5
335.25775	18.2
337.27304	3.2
351.22839	1.2
353.26883	82.1
369.24265	3.1
377.26794	2.1
389.26675	1.4
433.11490	1.7
433.20395	1.1
443.28174	1.7
443.88016	1.1
451.21539	2.3
469.22739	1.5
487.23758	1.4
548.79480	1.1
561.27185	4.8
561.36151	1.9
579.37122	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01863	0.6
55.96261	0.3
57.03434	0.4
58.60132	0.2
62.89135	0.2
65.03922	1.0
65.20024	0.2
67.05486	0.5
69.03428	1.7
69.73938	0.7
69.74348	1.0
73.02926	0.5
74.95970	0.2
75.04483	0.3
78.04699	2.4
79.05466	1.1
81.03398	0.7
81.07033	0.3
82.04170	0.3
85.02906	2.0
91.05463	0.8
93.03384	0.4
95.04944	0.9
97.02882	0.7
97.06501	0.4
103.05471	1.0
106.04185	0.8
107.04936	0.9
109.02883	0.3
110.03639	0.4
111.04469	0.3
115.05457	3.2
117.07014	5.4
119.04948	0.4
121.02843	0.5
123.04423	6.2
124.05232	1.9
127.03919	0.7
127.05392	0.8
135.04384	0.3
137.05968	0.4
138.03094	0.4
145.02863	0.3
145.06483	9.0
147.08028	0.5
151.03902	0.9
152.04677	1.9
153.05441	0.4
155.06004	2.3
163.03810	0.3
165.05521	0.5
167.07033	100.0
168.07410	0.6
171.06506	1.2
173.05983	21.6
175.07570	0.5
177.05431	0.5
181.04950	23.0
196.27254	0.2
201.05464	0.9
205.08575	4.7
207.10274	0.3
233.08035	5.8
235.07379	0.2
235.09633	4.4
247.05988	0.3
264.07813	0.3
271.06058	1.5
295.09451	0.3
307.06064	0.3
313.06940	0.3
325.06924	0.4
331.08151	0.3
337.07101	0.5
351.08774	0.3
387.14389	16.5
405.09695	0.3
417.15439	11.2
423.10779	0.5
483.12680	0.3
525.14008	0.6
579.20709	45.2
580.20892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
54.88992	1.3
55.01860	4.2
55.05306	1.1
55.05515	10.4
57.03428	4.9
57.07067	3.3
65.03927	3.0
67.05508	61.4
69.03423	5.5
69.07063	11.3
69.26298	8.8
69.26717	3.8
71.04984	4.6
73.02905	3.3
73.98772	1.1
75.04458	2.1
79.05495	34.1
81.03417	5.9
81.07060	67.3
83.04996	1.4
83.08619	6.2
85.02894	4.8
85.06542	2.4
91.05479	22.9
93.07043	50.1
95.04953	4.0
95.08613	54.9
97.02899	3.0
97.06520	3.0
97.10168	4.4
98.98494	1.9
99.04448	3.5
99.08075	1.9
102.08631	1.1
105.07027	18.3
107.08601	34.9
109.02893	8.4
109.06511	2.0
109.10157	30.9
110.03638	3.9
111.04430	4.4
111.08068	2.5
113.09637	1.5
117.07004	9.1
119.08582	14.9
121.10139	31.7
123.08065	1.5
123.11716	17.2
125.09586	2.0
127.03911	6.2
129.06989	2.3
131.00972	1.2
131.08553	18.5
133.10136	15.4
135.10663	2.3
135.11678	24.9
137.09590	1.6
137.13231	5.9
139.11160	1.9
143.08559	2.5
145.10112	17.8
147.11668	10.6
149.09612	2.9
149.13269	16.4
151.11177	1.8
151.14795	1.4
153.12541	1.1
155.01048	2.5
159.11707	15.1
161.13283	10.1
163.14818	11.5
165.12732	2.6
171.11667	1.4
173.13275	11.6
175.14795	4.0
177.16368	5.3
179.14267	1.6
180.19304	1.2
187.14848	8.0
191.00073	3.1
199.14728	1.4
201.16458	1.3
215.17848	2.8
219.17352	1.5
233.22566	3.3
236.71323	1.2
243.21103	28.3
261.22147	100.0
262.22229	1.5
263.23727	3.0
271.06015	15.9
279.23206	4.3
303.23190	3.3
315.23157	1.3
335.25842	10.3
337.27261	3.4
351.22845	1.4
353.26880	73.2
369.24435	2.6
422.61493	1.4
443.27670	2.2
451.21713	1.7
540.75452	1.4
543.36774	1.4
561.27203	4.7
579.28589	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01861	0.5
55.17543	0.2
56.22493	0.3
57.03420	0.7
65.03932	1.4
67.05487	0.6
69.03428	1.6
69.64365	1.9
71.04989	1.3
78.04698	1.8
79.05470	1.0
81.03407	0.9
81.07039	0.3
82.04179	0.6
84.08105	0.3
85.02914	4.0
87.04424	0.3
89.03918	0.3
91.05458	0.7
93.03381	0.3
95.04955	0.8
97.02876	0.8
97.06508	0.4
99.04465	0.3
103.05435	1.0
106.04163	1.2
107.04963	1.2
108.02058	0.3
109.02844	0.5
110.03631	0.3
111.04460	0.6
115.05451	2.4
117.07008	6.2
119.04951	0.6
119.08582	0.4
121.02857	0.5
121.06511	0.2
123.04424	5.3
124.05236	1.8
125.05975	0.3
127.03911	0.5
127.05427	1.0
129.05562	0.4
137.05948	0.8
138.03136	0.5
140.06973	0.3
142.02632	0.3
143.05731	0.5
144.05591	0.3
145.06485	10.6
147.04436	0.4
147.08026	0.6
151.03928	1.4
152.04657	1.5
153.01823	0.6
153.05463	0.3
153.20262	0.3
155.06020	2.2
161.05931	0.6
163.03929	0.4
167.07036	100.0
168.07346	0.4
171.06496	1.3
173.05983	19.0
175.03918	0.5
175.07533	1.0
177.05493	0.3
181.04953	22.1
187.03926	0.4
201.05440	0.4
205.08611	4.3
207.10194	0.3
233.08070	5.9
235.09677	4.2
253.43031	0.3
271.06018	15.4
280.07660	0.3
281.08011	0.3
283.05978	3.3
284.06799	0.6
295.06021	0.3
297.07486	0.4
309.07571	0.6
313.07007	3.6
323.09317	0.7
325.07230	0.3
331.08148	1.4
337.07040	1.5
349.07108	0.4
355.11783	0.3
367.08176	1.0
379.08231	0.8
387.14377	19.0
397.09155	0.6
413.72668	0.3
415.10126	1.8
417.15463	13.1
433.11334	2.0
466.44064	0.3
579.20758	46.8
580.21411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.0
55.05501	0.1
57.03436	0.2
57.27105	0.0
61.02906	0.0
65.03935	0.1
67.01527	0.0
67.01861	0.5
67.03447	0.0
67.82450	0.0
68.99432	0.0
68.99757	0.3
69.03423	0.1
70.58016	0.0
70.58376	0.0
71.04990	0.8
73.02907	0.1
75.04463	0.1
81.03386	0.0
83.04966	0.1
85.02900	1.3
86.58791	0.0
87.04454	0.1
87.16556	0.0
91.05471	0.4
95.04982	0.0
97.02869	0.1
99.04472	0.0
105.06995	0.0
107.04950	0.1
109.02831	0.1
111.00817	0.1
111.04413	0.1
115.05424	0.0
117.07015	0.0
118.04136	0.0
119.04936	2.2
121.02862	0.7
125.02343	0.0
127.03890	0.1
129.01834	0.2
129.05461	0.4
131.04898	0.0
135.08086	0.0
141.06982	0.1
145.02827	0.7
145.04720	0.0
145.06505	0.0
147.06499	0.1
153.01819	4.5
163.03900	0.4
163.07588	0.1
167.07024	0.4
169.06444	0.0
171.02881	0.9
173.05969	0.1
175.03767	0.0
181.04990	0.1
185.05862	0.0
187.03918	0.2
195.10178	0.1
197.05974	0.1
201.05444	0.0
203.07086	0.2
207.06490	0.1
211.03889	0.0
215.07199	0.0
225.05420	0.4
229.04919	0.3
243.06458	0.4
247.06148	0.2
253.05019	0.1
254.05899	0.0
270.05066	0.1
271.05984	100.0
272.06311	0.7
283.05963	0.2
284.06903	0.0
295.06042	0.1
297.07413	0.0
309.07568	0.1
313.07083	0.3
331.08057	0.1
337.06857	0.1
351.08340	0.0
367.08121	0.1
379.08075	0.1
381.09872	0.0
387.14569	0.0
397.08945	0.0
415.10416	0.1
433.11237	1.4
579.17865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1708
Annotation	RHOIFOLIN
Peak:m/z	Relative Intensity
57.03424	0.5
67.01861	0.3
68.99802	0.3
70.75050	0.4
71.04998	3.0
75.04458	0.2
85.02908	4.1
91.05484	0.2
95.75140	0.1
109.46838	0.1
111.04436	0.1
119.04950	1.4
121.02850	0.4
129.05521	0.8
145.02864	0.4
153.01842	3.2
156.16632	0.1
163.03928	0.3
164.26129	0.1
171.02882	0.5
174.73482	0.1
219.93086	0.1
225.05511	0.2
229.05011	0.2
235.73141	0.1
243.06641	0.2
247.06017	0.1
271.06021	100.0
272.06326	0.6
306.05008	0.1
433.11337	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66835	0.1
67.01858	0.3
68.99796	0.2
70.16940	0.4
71.04984	0.5
84.24831	0.1
85.02897	0.6
87.31833	0.1
91.05473	0.4
114.65932	0.1
119.04932	1.4
121.02946	0.3
129.05457	0.3
145.02853	0.4
153.01828	3.4
156.09673	0.1
163.03900	0.3
171.02895	0.5
225.05493	0.4
230.16222	0.2
257.27124	0.1
271.06003	100.0
272.06424	0.3
313.07016	0.2
429.44992	0.2
433.11304	0.4
455.55676	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	579.1707
Annotation	Isovitexin 4'-O-rhamnopyranoside
Peak:m/z	Relative Intensity
55.01876	1.4
57.03443	6.1
69.80074	3.5
69.80489	3.7
70.37641	1.1
71.04994	28.8
75.04526	0.9
79.01884	1.1
85.02903	28.3
85.77243	1.0
94.44164	1.3
109.02852	1.0
114.54665	1.2
119.04991	3.1
121.02870	12.6
129.05475	4.9
130.73346	1.0
145.02901	1.9
149.02361	1.5
163.03934	2.8
165.01846	8.2
167.03459	4.3
177.01852	2.0
183.02921	7.3
187.03996	2.0
191.03389	1.5
195.02916	2.7
205.05017	2.1
217.04948	1.4
229.04982	1.4
239.07074	2.4
242.05914	1.1
243.88766	1.3
255.06635	2.3
256.07367	3.2
261.04068	1.8
267.06494	10.5
270.05206	3.3
271.06116	7.2
279.06409	1.4
281.08078	7.2
283.06012	100.0
284.06799	24.0
285.07654	1.6
295.06073	14.6
295.09442	2.6
297.04242	1.9
297.07489	8.7
305.08139	3.3
307.06055	1.8
308.06717	3.1
309.07529	20.7
311.05298	1.2
313.07062	92.6
321.07471	2.7
323.09174	16.1
325.07178	1.6
333.07629	3.3
337.07059	37.8
343.07867	1.4
349.07053	6.6
351.08557	3.3
361.06876	6.5
367.08105	27.4
379.08127	14.4
397.09250	24.3
397.79465	1.2
415.10263	39.9
433.11331	80.4
434.11856	1.4
579.17004	5.0
586.63593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1495
Annotation	Procyanidin B2
Peak:m/z	Relative Intensity
55.01857	1.0
58.82462	0.5
64.66421	0.5
65.03933	1.3
65.57791	0.5
67.01846	0.7
67.05492	1.0
68.96423	0.5
68.99785	5.6
69.08952	0.5
70.06568	0.9
71.05087	1.2
77.03934	0.6
81.03401	2.4
89.03910	0.8
95.04941	1.1
97.02822	0.5
99.04438	1.2
103.05479	0.9
105.03371	1.0
107.04939	2.8
109.02839	2.6
111.00801	2.3
111.04439	2.6
115.05483	0.7
117.03393	0.8
119.04929	1.9
121.02861	1.8
123.04421	43.1
123.33551	0.6
127.03910	100.0
129.07045	0.5
131.04924	1.6
135.04413	29.9
137.02322	2.2
137.05984	0.6
139.03897	47.8
141.06935	0.9
143.04855	0.6
145.06497	0.6
147.04414	6.8
149.02309	4.3
149.05949	2.0
151.03897	6.4
155.04897	0.9
159.04405	2.8
161.05986	3.3
163.03899	35.3
165.05476	7.0
167.03404	7.3
167.07045	0.9
169.06470	1.5
173.06006	2.8
175.03920	3.5
177.05458	5.3
179.03375	3.7
179.07091	0.7
181.04990	0.9
183.04375	0.5
187.03845	5.4
187.07581	0.8
189.05457	2.8
191.03375	11.3
193.04970	4.0
197.05949	3.4
201.05508	5.5
203.03398	8.0
203.07082	1.3
205.04990	3.7
207.06642	2.0
213.05493	1.8
215.03377	1.7
215.06909	2.5
217.04950	1.8
225.05434	1.7
227.06895	0.8
229.04965	6.2
231.06531	1.2
233.04428	4.8
241.04965	1.6
243.06461	4.5
245.04466	6.3
247.02245	0.7
247.06015	15.6
251.05501	1.2
253.04857	0.8
255.06464	1.4
257.04434	8.5
259.06021	8.1
269.04382	2.2
271.06000	20.5
273.07620	1.9
275.05505	16.4
283.05969	7.5
287.05499	21.6
289.07034	13.3
291.08597	15.0
292.09122	0.6
297.07520	0.6
299.05515	4.4
301.07050	13.4
303.08664	1.7
311.05777	0.8
337.06982	0.6
367.08249	0.7
388.83307	0.6
391.08801	0.8
409.09134	25.3
410.09534	0.9
411.10757	3.1
421.09171	1.3
427.10229	6.2
435.10880	1.1
439.10339	1.1
441.44153	0.5
579.19861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	ent-Epicatechin-(4alpha->6)-ent-epicatechin
Peak:m/z	Relative Intensity
53.78513	0.7
55.01869	1.0
59.67762	0.6
65.03938	0.6
68.99790	2.7
69.79249	4.0
79.05468	0.6
81.03407	2.3
95.04983	1.4
99.04392	0.5
107.04951	1.4
109.02907	2.9
111.00840	1.3
111.04434	2.7
119.04957	1.1
121.02874	1.4
123.04431	30.5
127.03919	100.0
131.04918	0.9
135.04411	23.8
135.05423	1.4
137.02364	2.5
139.03905	40.2
145.06493	0.8
147.04414	4.8
149.02356	2.8
149.05980	1.5
151.03920	6.8
159.04436	2.5
161.06004	2.8
163.03911	34.0
164.04674	0.8
165.05476	4.4
167.03406	6.5
169.06512	1.0
173.06078	1.6
175.03955	2.0
177.05557	2.9
179.03438	2.7
183.04506	0.8
187.03810	5.0
189.05453	2.1
191.03407	10.1
193.05040	2.8
197.06042	2.1
201.05467	5.2
203.03419	6.4
203.07114	1.5
205.04974	1.7
207.06593	0.9
213.05418	1.1
215.03374	1.4
215.07018	2.1
217.05110	1.3
225.05411	1.1
229.04973	5.4
231.06491	1.1
231.50493	0.8
233.04454	5.4
241.05066	0.9
243.06560	4.7
245.04475	4.5
247.06052	15.1
253.04965	1.0
257.04428	7.6
259.05997	8.6
264.04700	0.6
269.04410	1.5
271.06027	19.8
271.08813	1.2
273.07693	1.2
275.05499	15.9
275.08463	0.8
283.06003	6.4
287.05508	20.1
289.07074	12.8
291.08655	13.8
291.11676	1.1
297.37582	0.7
299.05527	3.3
301.07095	13.6
303.08847	1.9
311.05563	0.6
315.08572	0.9
409.09174	23.0
411.10782	2.8
421.09085	1.6
427.10190	5.7
435.10693	0.7
466.65152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
53.03939	1.0
55.01857	1.9
58.02851	0.8
59.60838	0.9
63.68916	0.9
65.03959	1.5
65.80824	0.8
67.01891	1.0
67.05517	0.9
68.99790	6.2
69.79596	3.0
69.80012	1.9
77.03925	1.8
81.03425	4.2
85.02926	1.0
89.03873	1.4
95.04966	2.6
99.04479	1.3
102.07634	0.9
103.05443	0.9
105.03365	1.7
107.04964	4.4
109.02902	3.7
111.00791	3.0
111.04440	4.4
119.04922	3.2
121.02853	2.3
123.03711	0.9
123.04424	68.2
127.03913	100.0
131.04913	1.7
131.82841	0.9
135.04411	38.3
137.02318	5.9
137.05994	1.6
139.03896	75.6
141.07008	1.4
145.02826	1.4
145.06569	1.3
147.04396	10.4
149.02357	8.1
149.06009	2.3
151.03893	17.6
153.06941	1.2
159.04428	2.9
159.63475	1.0
161.05954	4.7
163.03902	44.5
165.05479	8.6
167.03427	12.0
169.06519	2.5
173.06009	4.3
175.03882	6.6
177.05489	7.2
179.03368	6.4
181.04984	1.5
183.04404	1.6
185.06007	2.7
187.03893	8.5
189.05447	3.1
191.03386	18.1
193.04985	6.2
197.06020	3.4
201.05461	10.6
203.03391	14.9
203.07054	2.7
205.04980	3.6
207.06587	1.8
213.05521	2.5
215.03427	2.0
215.07104	3.4
217.04996	2.8
225.05487	1.2
227.07071	1.8
229.04942	10.9
231.06567	3.3
233.04436	8.4
241.05031	1.9
243.06606	4.7
245.04430	11.8
247.06010	29.0
251.05557	3.0
255.06560	2.8
257.04425	16.3
258.05280	1.8
259.05978	12.9
269.04404	4.9
271.06003	19.9
273.07596	2.2
275.05502	23.4
283.06036	11.1
285.07675	1.4
287.05496	31.6
289.07083	12.9
291.08612	12.1
299.05261	4.8
301.07071	20.2
303.08640	3.7
391.08008	2.3
409.09171	33.9
411.10605	2.3
421.09338	2.4
427.10239	7.6
435.10355	1.8
439.10321	1.5
458.44751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
51.02374	0.5
53.03943	0.9
55.01858	1.7
65.03934	0.9
67.01873	0.6
67.05502	0.9
68.99790	4.7
69.03423	1.1
71.03683	0.9
71.04039	0.9
79.05473	0.6
79.57634	0.4
81.03415	2.2
85.02894	2.0
89.03924	1.3
91.05468	0.6
93.03401	0.7
93.51767	0.5
95.04964	1.7
97.02905	0.6
98.97586	0.7
99.04456	1.5
103.05434	0.7
105.03399	0.7
107.04936	3.5
109.02867	2.7
111.00803	2.1
111.04454	2.4
111.61134	0.5
117.03451	0.7
119.04935	1.8
121.02879	1.4
123.04430	42.7
127.03915	100.0
129.07024	0.6
131.04907	1.7
135.04414	29.8
137.02325	3.2
137.05969	1.2
139.03902	47.4
141.06985	1.1
145.02798	0.7
145.06474	0.8
147.04405	6.4
149.02335	5.3
149.05988	2.1
151.03906	9.0
153.06949	0.7
155.04912	0.7
157.06519	0.7
158.99655	0.6
159.04424	3.8
161.05980	3.3
163.03905	33.0
165.05501	6.4
167.03418	8.0
167.04765	1.0
169.06500	1.5
173.05957	3.5
175.03889	3.3
177.05469	3.3
179.03372	3.5
181.04932	0.6
181.06467	0.9
183.04482	0.6
185.05978	1.4
187.03891	4.7
187.07440	0.8
189.05437	2.5
191.03383	10.4
193.04953	4.0
197.05998	3.0
201.05461	6.1
203.03403	7.7
203.07060	2.1
205.05025	2.8
207.06546	1.4
213.05455	1.7
215.03375	1.5
215.07048	2.8
217.05045	1.8
225.05489	1.7
227.07098	0.6
227.30217	0.4
229.04944	8.1
231.06540	1.3
233.04475	5.9
237.02963	0.6
241.04941	1.1
243.06560	5.5
245.04468	7.7
247.06026	14.6
251.05424	1.0
253.05006	0.8
255.06564	1.3
257.04468	9.9
258.05243	0.8
259.06030	8.9
261.07632	0.5
269.04471	2.5
271.03049	0.8
271.06003	16.6
273.07532	1.0
275.05508	16.2
283.06015	5.5
287.05508	21.3
289.07074	9.6
291.08585	8.9
299.05542	3.7
301.07031	10.7
301.10178	0.8
303.08621	2.1
311.05463	0.7
335.79184	0.5
367.08319	0.4
409.09189	20.1
411.10681	2.8
421.09262	1.1
427.10223	4.4
435.10483	0.9
439.10181	0.8
579.15216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1348
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
50.28614	0.1
50.35000	0.2
50.64442	0.1
60.43418	0.2
68.99796	0.2
69.03442	0.7
71.04989	0.3
73.95044	0.2
81.03405	0.4
85.02906	1.0
87.00818	0.2
87.82024	0.2
91.05460	0.3
97.02876	0.3
98.20702	0.2
101.72481	0.2
107.04977	0.2
109.02863	0.5
110.31813	0.1
119.04953	0.3
120.36729	0.1
123.04453	0.2
127.03947	0.8
131.04903	0.7
133.02863	0.3
134.03607	0.2
135.04428	0.3
137.06009	0.2
143.05641	0.2
145.02834	0.3
147.04416	0.4
148.05212	0.3
149.05934	0.4
153.01805	0.9
163.03850	0.2
167.07056	1.9
168.00507	0.9
169.01340	0.4
169.06548	0.2
173.96700	0.2
175.03920	0.7
183.02873	0.3
185.00836	0.5
186.01570	1.3
191.06866	0.2
194.02071	0.7
200.04674	0.3
203.03313	0.2
207.06529	0.6
209.08194	0.2
214.06252	0.2
217.04967	0.2
219.10136	0.2
229.05064	0.2
241.04871	0.3
242.05783	0.3
245.04448	6.7
253.08551	0.2
255.02908	0.3
256.03653	0.7
257.04523	0.2
258.05258	0.2
259.05988	0.3
269.04468	0.5
270.05106	0.8
271.06012	13.4
272.06125	0.4
273.03955	11.1
283.06122	0.2
284.03149	1.0
285.03983	0.3
285.07428	0.2
286.04755	0.6
287.05505	3.8
288.06113	0.3
297.03854	0.3
298.04730	2.1
299.05554	1.1
301.03494	12.5
301.07037	1.7
303.97684	0.2
313.06940	0.3
315.05014	3.3
316.05783	35.0
317.06171	0.4
317.77203	0.2
331.08121	100.0
332.08426	0.9
415.10083	0.2
433.11304	0.8
492.42151	0.2
579.21088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15318	0.2
52.55222	0.2
53.03933	0.7
55.01863	0.6
55.05505	0.2
56.84767	0.2
57.03420	0.7
61.02908	0.6
64.10032	0.2
65.03925	0.4
67.01850	0.4
67.05486	0.4
68.99788	0.7
69.03086	0.3
69.03432	3.6
69.07059	0.3
70.06592	0.4
70.42425	0.2
71.04999	1.1
71.60410	0.2
73.02919	0.4
78.04693	0.3
79.05484	0.6
81.03421	2.8
81.07032	0.7
83.04949	0.3
84.08118	0.5
85.02439	0.3
85.02911	5.2
87.00830	1.8
91.05476	1.4
93.07024	0.4
94.03502	0.2
94.59770	0.2
95.04960	0.4
95.08611	0.5
97.02898	2.1
99.04475	1.0
103.05446	0.4
105.01856	0.9
105.07023	0.4
107.04934	0.5
107.08601	0.3
108.02098	0.3
109.02881	2.1
109.06517	0.2
109.10159	0.4
111.04405	0.3
115.05415	0.2
117.01857	0.2
117.07027	0.7
119.04952	1.6
119.08566	0.2
121.02907	0.6
121.06483	0.3
123.04428	1.0
123.11695	0.3
124.05184	0.2
125.02372	0.3
127.03919	3.4
129.01843	0.4
129.05411	0.3
131.04901	0.4
133.10127	0.4
134.03648	0.3
135.04388	0.3
136.01559	0.5
137.05960	0.4
139.03879	0.2
143.05701	1.0
145.02850	0.7
145.04951	0.6
145.06503	1.2
147.04388	0.8
147.08052	0.2
149.05942	0.3
151.03966	0.3
151.07555	0.3
152.04707	0.3
153.01833	3.3
154.02603	1.6
155.06052	0.3
159.02910	0.8
161.06020	0.5
163.03925	0.7
163.07503	0.2
167.07045	13.5
171.02875	0.7
173.05994	2.1
175.03897	1.2
175.07555	0.2
177.05565	0.5
181.04968	3.0
182.02092	2.9
183.02937	1.1
186.06744	0.6
187.03888	0.3
191.07048	0.3
193.08659	0.3
199.02391	0.8
200.03159	3.1
200.04837	0.3
201.05476	0.3
205.08577	0.4
207.06520	2.0
209.08083	0.4
213.61285	0.2
214.06316	0.7
215.06992	0.3
225.05501	0.4
229.04964	0.3
231.04884	0.4
232.07402	0.3
233.08051	0.7
235.09636	0.5
242.05727	1.5
243.06509	0.7
245.04460	1.1
259.06018	1.5
260.06870	1.2
269.04407	0.3
270.05234	3.5
271.06024	57.9
272.06351	2.6
273.03891	1.6
273.06653	2.0
275.23636	0.3
283.06033	0.6
284.03275	0.8
284.06659	0.3
287.05460	1.1
288.06226	0.3
298.04773	1.7
299.05450	1.7
301.03458	1.8
301.06729	0.4
313.07034	0.9
315.05014	1.2
316.05786	17.0
317.06335	0.4
323.09299	0.3
331.08127	100.0
332.08533	0.9
337.07175	0.2
369.11807	0.6
387.14459	1.7
397.09283	0.4
404.78555	0.2
415.10352	0.4
417.15610	1.2
433.11404	3.8
435.95486	0.2
547.19574	0.4
555.96991	0.2
579.20941	5.0
579.35193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03930	0.6
55.01858	0.3
57.03424	0.6
61.02919	0.3
64.88010	0.2
67.01842	0.4
68.99793	0.7
69.03131	0.2
69.03429	2.0
70.06586	0.2
71.05004	1.3
71.50456	0.2
71.60909	0.3
73.02917	0.3
81.03416	1.6
81.07056	0.4
83.04964	0.3
84.08131	0.6
85.02435	0.3
85.02907	4.0
86.09709	0.2
87.00813	0.8
91.05461	1.3
95.04975	0.3
95.08576	0.2
97.02890	1.0
99.04435	0.5
103.05439	0.2
105.01855	0.2
105.07003	0.3
107.04938	0.4
109.02895	1.2
111.04438	0.6
117.06995	0.4
119.04958	1.4
119.08553	0.2
121.02880	0.7
121.10155	0.2
123.00787	0.6
123.04422	0.7
127.03923	2.0
129.01852	0.3
129.05495	0.3
135.04405	1.0
137.05994	0.6
139.03900	0.8
143.05652	0.3
145.02811	0.4
145.04860	0.2
145.06499	0.3
147.04401	0.4
150.03127	3.4
151.03864	0.5
152.01035	0.3
153.01839	4.4
159.02890	0.6
161.05904	0.2
163.03880	0.6
164.04688	0.3
167.03406	10.0
167.07048	5.0
169.06483	0.3
171.02879	0.8
173.05992	0.7
175.03929	0.6
177.05467	0.4
179.03456	0.3
181.04953	0.6
183.04456	0.5
184.03723	1.8
184.64111	0.2
185.47864	0.2
187.07532	0.3
191.03400	1.5
197.05995	0.5
200.04701	0.8
201.05453	0.2
203.07059	0.3
207.06523	0.9
211.03944	0.7
212.04536	0.2
214.06348	0.5
215.07031	0.3
217.04924	0.3
225.05414	0.5
226.06215	0.2
227.07022	0.7
228.04124	1.8
229.05022	0.6
231.06601	0.6
233.08109	0.3
239.03229	0.3
241.04919	0.8
242.05736	3.8
243.06544	3.4
245.04454	0.6
254.05786	0.6
256.03677	0.6
257.08173	0.6
258.05338	0.3
270.05304	1.4
271.06015	91.0
272.06290	1.0
273.03943	0.4
273.06580	0.3
275.09164	1.6
282.05212	1.3
283.06134	1.7
284.03165	0.8
284.06500	0.3
285.07559	3.3
287.05502	18.3
288.06012	0.3
295.06036	0.3
298.04660	0.5
299.05518	2.3
301.07123	0.9
303.08533	0.2
309.07675	0.3
313.07056	3.8
315.05228	0.3
316.05789	6.3
317.06427	0.2
331.08118	100.0
332.08450	1.6
337.06958	0.5
367.08340	0.4
386.22748	0.2
387.14304	0.4
415.10208	0.8
417.11777	0.6
433.11185	2.3
579.17615	0.8
579.24060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68458	3.8
55.05510	18.3
57.03432	10.1
60.04215	4.1
62.30384	5.2
65.03945	4.0
67.05506	41.3
69.07050	11.1
70.48284	14.6
79.05489	34.1
81.07062	46.5
83.04956	5.2
83.08604	8.7
83.95271	4.1
90.64882	4.4
91.05481	20.5
93.07043	46.5
95.08602	52.2
98.20782	5.0
105.07031	11.4
107.04955	6.8
107.08608	32.1
109.10167	13.7
117.07018	9.1
119.08577	12.9
121.10145	21.4
133.10088	4.9
135.11714	42.7
145.10117	23.1
159.11665	5.1
163.11211	39.7
181.12259	4.9
227.12779	60.8
261.22205	5.1
271.06015	20.7
283.15393	37.9
335.25848	100.0
336.26389	4.7
543.36743	51.6
545.36139	4.6
605.07117	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	579.1346
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
50.11205	0.2
55.01873	0.4
55.05487	0.2
57.03431	1.5
60.48560	0.2
68.99796	0.4
69.03432	0.2
70.06585	0.2
71.04993	8.1
71.60560	0.2
71.60929	0.2
73.02907	0.2
75.04465	0.4
81.03409	0.3
83.04964	0.2
84.08108	0.2
85.02906	8.5
91.05458	0.7
91.46196	0.2
95.04936	0.3
96.80721	0.2
97.02876	0.4
99.04429	0.2
102.16267	0.2
108.49631	0.2
109.02912	0.4
111.04424	0.8
119.04949	1.3
121.02869	1.5
123.04415	0.9
127.03915	0.3
129.05482	1.4
131.04945	0.2
133.06429	0.2
135.04395	0.7
137.05911	0.2
139.03903	0.6
141.01826	0.2
145.02840	0.8
147.04434	0.4
147.06529	0.2
149.02365	0.6
150.03120	3.9
151.03920	0.3
152.01048	0.6
153.01814	0.9
163.03926	0.8
164.04733	0.5
165.01823	1.2
167.03407	10.9
167.06981	1.4
173.05902	0.2
175.03906	0.3
177.01805	0.3
177.05475	0.4
181.04929	0.4
183.02863	0.9
183.04427	0.5
184.03754	1.1
185.09685	0.2
191.03392	1.7
195.02934	0.4
197.06053	0.3
200.04730	0.5
203.07101	0.2
205.04984	0.3
207.06529	0.5
211.03906	0.5
212.04622	0.4
213.05539	0.3
214.06255	0.5
215.03395	0.3
215.07120	0.3
217.05121	0.3
225.05508	0.2
226.06316	0.2
227.03419	0.2
227.06973	1.0
228.04185	2.0
228.81174	0.2
229.04890	0.6
231.06540	0.6
232.07401	0.4
239.03473	0.3
239.07027	0.3
241.04922	0.4
242.05737	3.9
243.06520	3.5
245.04430	0.4
253.04868	0.2
254.05745	0.6
255.02742	0.2
255.06461	0.5
256.03693	0.8
257.08026	0.6
259.05945	0.4
260.06647	0.3
267.03622	0.3
267.06512	2.3
268.03687	0.3
270.05246	3.1
271.06012	21.4
273.04056	0.3
275.09137	1.2
281.08096	1.6
282.05161	1.3
283.06003	20.8
284.03296	0.6
284.06784	2.5
285.07562	4.0
287.05673	0.4
288.06335	0.3
295.06079	2.9
295.09445	0.4
297.04453	0.2
297.07571	0.8
298.04678	0.7
299.05536	3.1
301.03650	0.2
301.07016	0.5
303.08777	0.2
305.08044	0.4
307.06030	0.4
308.06757	0.3
309.04120	0.2
309.07562	5.3
313.07059	23.1
315.05038	0.4
316.05783	8.6
321.07565	0.5
323.05472	0.3
323.09100	3.6
331.08112	100.0
332.08414	1.1
333.07739	0.9
337.07037	10.3
349.07028	2.3
351.08511	0.6
361.07089	2.0
367.08115	6.5
367.12723	0.3
379.08148	3.7
397.09204	5.2
415.10248	9.3
433.11313	9.1
433.15851	0.2
569.37384	0.2
579.13727	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	577.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
55.01881	5.6
55.05511	36.9
57.03452	14.9
57.07077	2.8
59.04989	3.9
65.03925	5.7
67.05505	87.8
69.03426	3.3
69.07061	22.9
69.92928	6.1
69.93341	9.3
71.04986	12.9
79.05498	67.9
81.03410	26.1
81.07059	100.0
83.04976	10.3
83.08629	21.6
85.06552	11.0
91.05482	55.4
93.07044	69.6
95.04959	17.9
95.08611	69.1
97.06544	14.0
97.10175	20.6
99.08093	3.0
104.00088	2.6
105.07029	54.9
107.04960	6.2
107.08603	43.2
109.06519	6.8
109.10166	32.8
111.08091	4.4
111.11691	2.5
115.05505	2.7
117.07020	17.1
119.08588	47.3
121.06504	3.3
121.10123	25.9
123.08091	8.2
123.11703	10.3
125.09621	15.9
129.06984	14.7
131.08569	30.7
133.10147	28.8
135.08047	3.6
135.11713	16.6
137.09615	5.4
137.13263	3.0
139.11200	4.2
141.06961	5.6
142.07741	4.1
143.08572	17.7
145.10121	28.0
147.08073	6.2
147.11674	26.1
149.09607	4.8
149.13246	7.9
153.09042	3.3
155.08600	5.7
157.10107	15.2
159.11713	22.5
161.13281	11.8
163.11182	3.9
169.10143	9.8
171.10313	2.9
171.11624	12.5
173.11966	2.7
173.13191	14.2
175.11223	5.5
175.14819	4.3
177.12721	3.8
179.56366	3.1
181.10104	3.9
183.11693	6.6
185.13295	7.5
187.11157	3.2
187.14862	8.3
189.11133	13.8
189.16206	2.6
193.12256	10.2
195.11740	7.0
195.13797	3.6
197.13319	5.4
199.14761	7.2
201.16434	2.9
209.13255	3.8
211.14821	3.9
227.12738	18.8
233.18916	2.5
239.16408	3.4
243.20836	3.5
248.56871	2.6
259.20541	6.0
261.22177	10.1
267.15930	19.5
273.22034	3.4
285.21985	6.9
287.23645	3.8
289.21744	5.7
291.19559	4.2
299.23767	4.3
301.25235	11.5
303.23340	5.0
315.23279	3.1
335.25873	16.4
359.25909	3.3
363.25296	7.0
401.89661	2.8
407.32910	3.1
417.31354	7.1
433.26465	2.7
435.27524	3.4
435.32550	16.6
453.33582	19.1
471.34573	10.9
491.35526	2.8
509.36508	7.0
526.94568	3.0
527.37256	66.3
545.38428	47.0
559.39331	9.9
577.36774	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	577.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
53.23088	1.6
55.01876	9.3
55.05514	34.6
57.03439	11.5
57.07068	4.4
59.04984	2.4
65.03925	5.3
67.05507	90.8
69.03420	3.6
69.07069	28.5
69.85339	12.2
71.04996	10.0
74.63633	1.9
79.05495	62.4
81.03425	15.2
81.07057	100.0
82.07384	2.0
83.04962	7.8
83.08627	21.8
85.06525	8.6
87.18637	1.9
91.05482	58.4
93.07043	71.5
95.04971	22.5
95.08606	60.8
97.02866	2.9
97.06526	14.1
97.10171	12.6
99.08070	3.1
105.06391	3.2
105.07036	47.8
107.04941	8.5
107.08596	46.6
109.06503	7.2
109.10152	29.6
110.10474	2.1
111.04427	4.0
111.07438	2.0
111.08108	8.1
115.05437	2.1
117.07031	20.3
119.08584	35.5
121.06474	7.1
121.10149	29.8
123.04472	2.4
123.08042	5.6
123.11689	10.6
125.09637	10.6
128.06172	2.2
129.06973	12.1
131.08562	30.5
133.06445	3.1
133.10146	37.4
135.08003	6.3
135.11713	15.4
137.09657	5.4
137.13242	3.8
139.07558	2.6
139.11208	3.2
141.06967	3.6
143.08569	13.5
145.06482	2.5
145.10110	22.3
147.08029	4.8
147.11673	22.8
149.09613	6.9
149.13268	10.6
151.11185	4.8
153.12730	2.2
154.07831	2.5
155.08548	5.3
157.10138	12.1
159.08087	2.4
159.11691	17.0
161.09590	6.2
161.13292	10.0
163.11162	5.5
163.14803	3.1
165.12827	3.7
169.10065	6.2
171.11691	12.3
172.95456	2.1
173.13258	9.6
175.11214	2.5
175.14792	4.9
177.12766	2.6
179.14378	2.8
183.11667	5.7
185.13271	7.1
187.14871	6.6
189.09213	1.9
189.11230	7.5
189.12720	2.4
191.14308	2.0
191.52042	1.8
193.12175	6.6
195.11760	3.2
195.13820	3.5
197.13260	6.4
199.13251	2.4
199.14911	3.0
201.16393	3.9
203.14342	2.1
205.12227	2.2
225.11200	2.4
227.12666	14.3
229.14244	3.0
237.16377	3.3
243.21034	2.9
245.19135	2.6
253.14336	7.5
255.17561	2.2
259.20621	5.5
261.22095	8.4
267.15924	19.5
269.17456	7.6
273.18439	9.4
273.22128	1.9
275.16751	1.8
275.19989	6.3
277.21640	4.1
283.15408	3.5
285.22107	3.0
287.23621	2.6
289.21564	4.1
291.19565	14.8
299.15054	3.3
301.25174	9.3
303.23013	2.8
333.24380	2.0
335.25787	9.7
341.24487	2.7
359.25830	2.9
363.25180	3.8
365.23425	5.6
417.31558	4.4
435.27426	2.5
435.32617	11.8
453.33676	9.7
471.34909	4.1
501.35159	2.4
509.35834	3.7
527.29926	3.4
527.37299	40.5
541.35516	3.1
545.38385	28.9
559.35687	14.4
577.40564	9.6
595.12152	2.0
599.07709	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
55.01862	13.0
55.05515	37.7
57.03422	14.3
60.48399	2.7
65.03931	7.9
67.05504	100.0
69.03418	3.7
69.07070	28.2
69.13976	3.1
71.04986	9.2
71.08609	3.2
71.60725	5.2
79.05495	53.8
81.03413	8.0
81.07053	97.7
83.04968	13.9
83.08623	23.0
85.06535	6.4
91.05481	55.2
93.07045	71.7
95.04964	21.1
95.08604	57.1
97.06529	8.8
97.10174	19.8
99.08147	3.2
105.07029	52.6
107.04959	4.3
107.08598	50.0
109.02867	6.1
109.06507	11.5
109.10154	50.7
111.04457	4.3
111.08064	6.9
113.05997	4.7
115.05391	3.2
117.07006	17.5
119.08563	32.8
121.06483	8.3
121.10144	22.3
123.08065	7.4
123.11692	13.8
125.09600	13.4
126.01612	3.2
128.06209	3.7
129.06989	8.4
131.08568	28.9
133.06447	3.4
133.10124	54.4
135.07999	9.2
135.11682	22.4
137.09637	5.0
143.08556	9.0
145.10118	21.6
147.08054	3.6
147.11684	14.2
149.09692	5.8
149.13226	13.6
151.11176	21.8
155.08525	5.8
157.10103	6.4
159.11699	13.7
161.09627	17.0
161.13246	9.9
163.11185	6.1
169.10101	4.2
169.12263	4.7
171.11693	4.3
173.09612	3.2
173.13237	10.3
175.14667	4.3
179.10701	8.2
179.14194	3.7
181.12219	7.0
185.13203	4.5
187.14827	7.0
189.09174	6.7
189.11238	8.4
195.13858	4.2
199.14816	4.4
215.12779	12.7
225.11189	6.9
227.12769	14.6
243.21107	4.5
253.14288	11.2
261.22089	23.5
267.15829	3.7
269.17477	14.1
273.18484	11.7
275.20068	6.4
277.21573	4.6
279.23117	4.8
291.19565	22.1
299.14828	18.6
305.24896	3.5
315.22998	8.5
317.24612	4.6
333.24023	5.5
335.25848	12.6
421.30865	7.4
457.33194	4.0
467.31512	9.9
485.32813	5.2
504.05756	3.7
506.27194	3.1
513.35492	8.7
515.37262	3.9
519.36700	7.5
527.37561	5.2
531.36542	11.5
541.35138	30.6
545.38416	6.2
559.36182	33.0
577.29187	5.0
577.37213	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	577.358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87970	7.7
55.05514	35.1
57.07090	9.0
59.10928	7.0
61.02909	9.3
65.03945	7.8
65.41929	7.7
65.68333	6.2
67.05503	45.4
69.03426	33.9
69.07073	52.8
70.06603	9.9
70.95544	7.1
71.05003	11.0
71.60796	9.7
79.05492	38.5
81.03417	39.4
81.07053	100.0
83.04980	17.3
83.08622	25.3
85.02902	63.3
85.06552	17.7
87.00850	15.9
91.05474	73.6
93.07042	42.4
95.04971	24.4
95.08596	90.6
97.02897	28.5
97.06527	10.1
97.10159	17.7
99.04459	16.8
105.01849	20.0
105.07029	29.5
107.04968	16.0
107.08578	39.5
109.02876	34.0
109.06557	11.4
109.10147	64.1
111.04472	12.3
111.11746	14.4
116.33523	7.1
117.07024	11.6
118.93610	6.6
119.04972	29.4
119.08593	22.4
121.06420	7.1
121.10172	29.5
123.04493	7.7
123.11721	32.7
127.03900	62.1
131.08533	12.1
133.10143	26.3
135.04460	9.3
135.11720	20.9
137.05984	22.5
143.05658	19.9
143.08490	8.7
145.02905	10.4
145.04964	10.1
145.10118	15.7
147.04393	30.3
147.07968	7.6
147.11700	17.1
149.09621	12.7
149.13271	20.5
151.14806	20.6
153.05482	9.1
159.11719	9.4
161.13319	8.4
167.07037	35.6
175.03902	38.5
175.07507	13.8
177.05447	26.6
179.18004	10.8
193.08508	9.5
205.08643	8.9
207.06589	83.0
209.08102	22.4
229.12051	6.6
237.03070	8.5
283.49915	6.8
287.05582	19.4
293.28421	19.8
311.29486	17.0
383.11353	9.1
415.13907	15.4
536.85571	7.7
577.20673	9.1
577.29034	13.9
577.36450	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	577.1557
Annotation	Chamaemeloside
Peak:m/z	Relative Intensity
57.03438	0.2
65.03938	0.1
67.01842	0.3
67.05498	0.2
68.99804	0.4
69.03416	0.5
69.07053	0.2
69.43387	1.0
70.06580	0.2
71.04997	0.3
73.02903	0.4
79.05476	0.3
81.03410	0.4
81.07045	0.4
84.08119	0.2
85.02911	0.6
86.09703	0.2
91.05481	0.8
93.07021	0.3
95.04947	0.3
95.08594	0.2
97.02875	0.4
98.20775	0.2
101.40687	0.1
105.06968	0.1
107.04942	0.2
107.08611	0.2
109.02876	0.3
109.06551	0.2
111.04551	0.1
117.27126	0.1
119.04945	1.9
119.08543	0.2
120.08116	0.2
121.02869	0.9
121.06505	0.1
121.10124	0.3
123.04411	0.3
127.03934	0.7
129.01839	0.1
131.08553	0.1
135.11702	0.2
137.02284	0.2
137.05992	0.2
139.03853	0.1
143.05673	0.7
145.02856	0.7
145.04929	0.2
147.04385	0.5
151.03908	0.2
153.01831	3.2
161.05956	0.1
163.03880	0.5
167.07043	0.4
171.02910	0.9
175.03935	0.6
177.05502	0.4
182.15254	0.1
203.07054	0.3
205.05066	0.1
207.06509	1.0
209.08064	0.2
225.05472	0.2
229.04997	0.3
243.06482	0.3
247.06049	0.3
267.06497	0.2
271.06006	100.0
272.06372	1.2
283.05914	0.3
287.05338	0.3
297.03967	0.3
299.05469	0.4
305.09058	0.1
313.67120	0.1
316.10379	0.1
329.06598	0.3
329.10272	0.7
339.08896	0.1
379.08154	0.2
395.11298	0.2
397.08771	0.2
397.13474	0.1
415.09567	0.2
415.14420	0.2
433.11322	2.9
559.13940	0.2
577.14899	1.4
577.23383	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	577.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
65.03938	0.1
67.01842	0.3
67.05498	0.2
68.99804	0.4
69.03416	0.5
69.07053	0.2
69.43387	1.0
70.06580	0.2
71.04997	0.3
73.02903	0.4
79.05476	0.3
81.03410	0.4
81.07045	0.4
84.08119	0.2
85.02911	0.6
86.09703	0.2
91.05481	0.8
93.07021	0.3
95.04947	0.3
95.08594	0.2
97.02875	0.4
98.20775	0.2
101.40687	0.1
105.06968	0.1
107.04942	0.2
107.08611	0.2
109.02876	0.3
109.06551	0.2
111.04551	0.1
117.27126	0.1
119.04945	1.9
119.08543	0.2
120.08116	0.2
121.02869	0.9
121.06505	0.1
121.10124	0.3
123.04411	0.3
127.03934	0.7
129.01839	0.1
131.08553	0.1
135.11702	0.2
137.02284	0.2
137.05992	0.2
139.03853	0.1
143.05673	0.7
145.02856	0.7
145.04929	0.2
147.04385	0.5
151.03908	0.2
153.01831	3.2
161.05956	0.1
163.03880	0.5
167.07043	0.4
171.02910	0.9
175.03935	0.6
177.05502	0.4
182.15254	0.1
203.07054	0.3
205.05066	0.1
207.06509	1.0
209.08064	0.2
225.05472	0.2
229.04997	0.3
243.06482	0.3
247.06049	0.3
267.06497	0.2
271.06006	100.0
272.06372	1.2
283.05914	0.3
287.05338	0.3
297.03967	0.3
299.05469	0.4
305.09058	0.1
313.67120	0.1
316.10379	0.1
329.06598	0.3
329.10272	0.7
339.08896	0.1
379.08154	0.2
395.11298	0.2
397.08771	0.2
397.13474	0.1
415.09567	0.2
415.14420	0.2
433.11322	2.9
559.13940	0.2
577.14899	1.4
577.23383	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	577.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
57.03432	4.5
61.02925	3.0
69.03428	2.1
69.28085	16.0
69.28490	3.4
70.06589	2.6
81.03418	3.6
84.82478	1.8
85.02905	5.3
91.05487	3.8
96.31310	1.9
97.02884	2.2
105.91041	1.6
106.14333	1.9
107.04957	2.7
109.02890	4.7
114.21138	1.8
119.04928	11.8
121.02872	34.8
121.06544	2.2
123.04426	4.1
127.03931	4.7
129.07053	1.9
133.02831	1.8
135.04443	2.9
137.06004	15.7
143.05742	2.7
145.02895	5.8
147.04378	3.6
149.05984	2.2
159.04330	1.9
161.02399	2.0
163.03941	3.4
165.01900	2.6
167.07065	4.7
169.06516	2.1
175.03918	2.9
177.05548	4.2
179.03458	4.2
179.07011	13.3
181.04901	2.1
189.01874	6.1
191.03409	4.1
195.02893	11.9
203.03427	13.8
205.01289	8.8
207.02843	12.8
207.06595	2.7
213.01967	2.4
215.03468	2.6
217.01430	2.3
217.04979	4.9
219.02933	8.3
221.04506	5.8
223.02493	7.5
227.03429	6.7
229.01418	2.2
229.05034	3.1
233.04588	2.4
235.02480	3.1
243.02859	2.7
245.04388	2.4
247.02354	3.3
249.04100	1.9
255.02917	5.1
257.04514	3.0
263.07669	1.8
267.06589	3.5
268.01456	2.2
268.07489	4.5
269.04523	2.3
269.08127	2.3
273.04004	4.5
279.06482	8.8
281.08102	3.5
283.02451	2.8
283.05975	8.4
284.06870	4.5
285.04224	2.5
287.05569	3.4
291.06589	1.9
293.08038	4.0
294.05109	13.7
295.06018	100.0
296.06717	8.3
297.04370	3.5
297.07666	9.0
299.05634	2.4
307.06015	37.1
307.09509	3.2
308.06711	12.0
309.03973	9.0
309.07626	32.1
310.04776	13.7
311.05624	11.9
313.07129	7.4
317.08044	2.3
319.06033	6.3
320.06720	3.4
321.07574	29.0
322.04724	6.3
322.08429	5.8
323.05530	89.9
323.08923	3.6
324.06241	6.2
325.07077	57.2
325.10892	1.9
328.45184	2.0
333.07648	7.6
335.05487	13.6
335.09186	25.3
336.06213	5.6
337.07077	45.5
337.11118	2.2
339.05005	3.8
339.08643	2.8
341.06607	7.7
345.07611	7.5
346.08334	3.1
347.05615	4.1
347.09158	9.5
348.06030	2.7
349.07074	32.9
351.04953	5.2
351.08722	12.4
353.06552	61.8
355.08060	3.3
361.07068	17.1
361.10858	2.7
363.08658	31.5
365.06528	20.6
365.10410	5.2
373.07080	12.1
374.07751	1.9
375.04739	4.7
375.08725	7.0
376.05780	2.7
377.06525	21.2
377.10684	2.7
379.08096	17.6
383.07407	2.5
389.06265	5.0
389.10583	4.0
391.08047	26.0
393.09796	5.6
395.07712	7.7
397.09488	2.3
401.01999	1.8
401.06122	9.5
403.08136	9.1
407.07635	38.8
409.09222	32.6
417.09711	2.8
419.07498	20.3
421.09088	11.1
427.10245	40.2
429.09586	3.2
433.09570	2.1
435.11206	3.0
437.08771	17.3
439.10278	32.3
443.07425	2.8
445.09689	2.4
455.09656	4.2
457.11279	54.1
461.08710	4.3
463.10248	14.8
475.09814	3.8
479.09644	2.8
481.11307	95.8
487.10471	5.3
493.11349	15.3
505.11325	18.2
511.12280	26.7
523.12421	30.1
541.13428	55.7
559.14417	20.3
577.17126	8.3
577.24463	2.3
577.31873	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	575.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
54.67270	2.0
55.01877	12.5
55.05270	2.6
55.05516	47.6
57.03438	15.0
57.07079	2.6
65.03924	3.2
67.05508	92.9
69.03426	9.1
69.07076	36.7
69.49000	5.1
69.49403	14.5
71.04998	16.8
73.76014	2.1
77.05766	2.1
79.05496	87.0
81.03423	26.2
81.07058	100.0
83.04973	14.3
83.08617	25.2
85.02898	9.0
85.06538	7.8
85.28722	1.9
91.05485	80.8
93.07050	70.5
94.07404	2.7
95.04965	25.6
95.08610	63.4
97.02880	4.8
97.06543	14.9
97.10172	17.2
99.08112	7.0
102.72917	2.2
103.05500	2.6
105.07033	69.8
107.04963	19.3
107.08598	42.5
109.06527	15.4
109.10150	24.5
111.04460	2.8
111.08073	8.6
113.05991	2.6
115.05461	5.4
117.07021	31.2
119.04893	2.8
119.08584	49.2
121.06495	10.6
121.10138	31.8
123.08085	10.9
123.11713	9.5
125.09631	17.2
125.18359	2.3
127.07442	2.1
128.06230	6.3
129.07011	17.4
130.07790	3.1
131.04900	3.2
131.08577	43.7
133.06493	7.6
133.10138	40.4
135.08060	17.0
135.11714	12.7
137.09618	6.3
139.07600	3.2
141.06955	6.3
142.07784	5.0
143.08574	24.4
145.06503	5.9
145.10138	36.5
147.08055	8.2
147.11697	20.5
149.09665	11.0
149.13263	6.3
151.11179	9.8
154.07825	2.7
155.08563	11.5
157.10121	22.0
159.08112	3.4
159.11678	25.2
161.09584	10.2
161.13268	8.7
163.11176	11.3
165.09096	2.2
165.12727	3.5
167.08603	3.8
167.10733	2.2
169.10126	14.3
171.08041	2.5
171.11697	14.4
173.09660	11.8
173.13263	12.6
175.11176	11.1
175.14879	3.0
177.12737	4.3
179.14267	2.0
181.10139	6.3
183.11699	10.5
185.09695	3.8
185.13309	10.0
187.11195	4.2
187.14856	6.1
189.11217	11.7
189.12738	4.4
193.12306	14.7
195.11676	5.8
197.13287	7.4
199.11208	3.2
199.14836	3.9
201.16470	2.3
209.11603	3.0
209.13339	5.7
211.13222	20.2
211.14973	3.4
213.12723	2.8
215.14290	2.0
217.15974	3.6
219.13766	4.3
223.13252	3.2
227.12787	20.5
227.18092	3.7
239.18089	2.8
245.19020	2.9
253.14330	4.2
255.17401	3.1
257.19043	7.9
259.20618	2.7
261.18555	2.8
267.15945	8.6
273.18536	23.2
275.20041	16.9
276.57043	2.1
283.15366	5.9
283.20706	3.3
285.17053	4.4
285.22052	3.8
287.20108	2.3
291.19565	38.7
297.22198	2.2
299.20279	3.0
299.23703	7.0
309.20840	2.3
313.21475	2.9
314.17404	2.4
329.20935	2.7
331.22815	2.5
343.22275	2.3
347.22260	5.6
365.23492	3.0
415.30026	3.4
421.25888	4.2
433.31018	12.1
451.32016	11.6
469.32773	3.4
471.31619	3.3
507.34723	3.6
517.35297	12.7
525.35754	31.0
543.36816	40.2
557.34479	14.9
575.35370	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	575.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.05519	3.0
57.03425	1.1
57.07077	1.4
59.05005	1.2
61.02935	1.0
63.02388	0.8
65.03944	3.5
67.05505	14.7
69.03437	10.1
69.07073	3.5
70.06630	0.8
71.05000	1.6
71.46941	1.9
79.05513	3.4
81.03429	3.0
81.07064	6.4
83.04988	2.3
83.08616	1.1
85.02926	4.4
85.06551	7.3
90.56451	0.8
91.05488	20.6
93.07057	7.0
95.04989	2.6
95.08611	24.5
97.02896	2.4
97.06553	2.2
99.04433	1.4
103.05450	1.3
105.07029	6.1
105.39644	0.7
107.04288	0.8
107.04961	1.1
107.08625	4.3
109.02899	2.3
109.06562	2.2
109.10162	3.4
111.08088	1.3
113.06030	1.4
117.07016	0.9
119.04945	25.8
119.08579	6.8
121.06532	2.6
121.10159	3.6
123.04428	1.5
123.08088	13.3
123.11744	1.3
125.05986	1.1
125.09660	1.1
127.03947	3.9
128.07124	1.1
131.08598	2.2
132.02122	1.3
133.06509	1.3
133.10110	2.1
135.08096	1.2
135.11710	2.3
136.05161	1.4
137.05984	1.7
137.09647	3.4
137.13269	1.0
143.05710	1.5
145.06506	0.8
145.10110	1.8
147.04419	24.3
147.05522	1.6
147.08073	1.7
147.11697	3.5
149.09630	9.3
149.13264	1.1
151.07579	3.9
151.14722	0.9
157.03966	1.8
159.08005	0.9
159.11723	2.0
161.05975	1.3
161.09715	1.3
161.13292	3.4
163.11182	1.9
165.12753	1.7
167.07082	2.1
171.11818	1.3
173.09671	1.0
174.03197	0.8
174.10463	1.2
175.03922	45.2
177.05470	1.9
179.07068	1.6
187.11180	1.1
189.12779	5.6
192.04337	1.4
205.12318	0.9
207.06540	100.0
207.13800	7.7
215.10776	1.0
225.07608	2.0
250.28342	0.8
287.05563	3.1
311.12848	1.5
315.05057	2.0
331.10013	3.4
339.12000	1.2
351.10962	5.9
369.11804	13.2
413.12366	3.5
467.11804	1.1
575.17139	10.8
575.25409	1.5
576.17786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01859	0.9
55.05512	2.9
57.03429	1.4
57.07070	0.7
65.03939	0.5
65.75745	0.3
65.99077	0.3
67.05502	4.6
67.92707	0.3
69.03417	1.4
69.06728	0.3
69.07066	4.4
69.76205	0.3
70.06582	0.4
71.01355	0.8
71.08598	0.3
71.61182	0.6
73.02909	1.4
79.05487	3.4
81.03407	1.2
81.06576	0.7
81.07054	13.4
83.04963	0.8
83.08618	2.2
85.02906	3.5
85.06531	0.9
86.28381	0.3
89.03862	0.3
91.05476	4.2
93.07042	4.9
95.01130	1.2
95.04962	1.2
95.08601	12.9
96.01837	0.6
97.02892	1.5
97.06511	1.0
97.10168	1.5
99.08089	1.2
103.05458	0.9
105.07024	4.0
107.04914	0.3
107.08587	5.5
108.81443	0.4
109.02883	0.8
109.06499	1.1
109.10148	7.1
111.08080	1.2
111.11730	1.2
113.02209	1.4
114.30717	0.3
117.07037	0.8
118.04146	1.0
119.04930	2.2
119.08585	2.7
121.06496	1.1
121.10140	4.5
123.04408	0.5
123.08032	0.5
123.11697	3.9
124.05185	0.6
125.05960	0.5
125.09614	1.5
125.10448	0.4
127.03898	1.0
129.07004	0.5
131.03438	0.4
131.08566	1.4
133.06429	2.0
133.10144	1.9
135.07997	0.8
135.11674	2.8
137.05983	1.5
137.09578	0.4
137.13235	0.9
139.11171	1.4
141.01849	1.5
143.05676	1.2
143.08548	0.6
145.02827	0.5
145.10104	1.9
147.04384	2.1
147.08060	0.5
147.11708	1.3
149.05983	0.6
149.09596	0.7
149.13235	2.8
150.06839	0.7
151.03989	0.4
151.07529	0.5
151.11157	0.9
151.14833	1.1
153.05560	0.6
153.12778	0.5
157.10155	0.6
159.08095	0.5
159.11703	1.3
161.05927	0.5
161.13232	0.9
163.03957	0.5
163.07480	0.4
163.11125	0.6
163.14818	1.6
165.09056	1.0
165.12784	1.3
165.16403	0.4
167.03206	0.6
167.07104	0.5
173.05940	0.5
173.13144	0.6
175.03903	1.9
175.14818	1.0
176.04385	0.8
177.05489	0.9
177.12764	0.5
177.16389	1.0
179.06973	0.4
179.08522	0.5
179.14339	0.8
185.04320	2.1
185.05705	0.6
185.09628	0.3
187.11148	0.8
187.14778	0.7
189.16393	0.7
191.10530	0.5
191.17955	1.5
193.08574	3.2
193.15891	0.6
197.09592	0.4
199.11201	0.4
201.02156	0.4
201.03737	1.5
201.05295	1.3
201.16354	0.7
202.06039	0.8
203.05270	13.4
203.17975	0.5
205.12395	0.4
207.06522	3.5
207.17448	0.7
216.07570	11.2
217.08412	1.6
219.17519	0.5
228.04247	0.3
255.06694	0.4
259.24411	0.6
271.24188	2.0
277.25262	1.6
285.07480	0.5
287.05353	0.8
289.25226	4.4
307.26404	0.9
313.87088	0.3
327.12216	0.5
329.13834	0.5
365.13599	4.2
381.11926	0.5
381.29999	3.4
395.14713	0.9
399.30966	0.4
413.11880	0.4
419.22141	0.4
467.11560	2.2
539.26599	0.7
557.27655	1.0
575.20966	100.0
575.27814	4.2
576.20239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.4
55.05507	5.9
56.96564	1.7
57.03443	3.0
57.07077	38.3
58.64264	1.6
61.02927	3.6
67.05509	19.4
69.03440	2.3
69.07067	8.1
71.04994	1.8
71.08636	31.5
71.61092	1.6
74.18043	1.2
75.04483	1.7
79.05495	6.0
81.03408	1.8
81.07059	22.6
83.08624	13.8
84.47440	1.4
85.02911	4.5
85.10186	17.7
89.05976	2.0
91.03946	2.2
91.05485	5.1
93.07036	5.3
95.08611	27.5
97.02912	2.3
97.10164	6.2
98.97535	1.5
99.04443	2.8
99.08133	1.4
105.07034	2.6
107.08610	3.6
109.02937	3.2
109.10148	15.5
110.03631	1.4
119.08607	1.7
121.10143	2.7
123.08043	1.7
123.11722	6.3
124.07586	2.1
127.03913	3.2
133.10141	2.3
135.11668	1.8
137.13223	3.4
147.11623	1.5
173.11902	1.4
199.06451	1.7
221.22673	1.8
222.14978	2.8
229.07483	6.9
239.23688	28.1
247.08545	7.6
252.09074	1.9
257.24731	4.1
296.10284	7.7
305.10602	1.8
313.27374	100.0
331.28415	14.4
349.16049	3.1
364.56241	1.6
435.21344	6.3
465.25140	1.7
473.70859	1.5
539.28503	4.0
556.37500	2.4
574.39911	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	575.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52835	0.6
55.05566	1.0
67.05579	1.9
69.03495	1.7
69.07114	1.1
71.05048	1.2
71.60945	1.0
79.05570	1.7
81.03471	1.2
81.07144	2.6
85.02995	3.3
90.82625	0.6
91.05482	4.4
93.07143	1.8
95.05050	0.7
95.08614	2.9
97.02924	0.7
98.26370	0.6
99.04543	0.7
105.07099	1.4
107.08676	1.4
109.06569	0.6
109.10268	1.6
117.07121	0.7
119.05061	2.0
119.08643	1.5
121.06493	0.6
121.10225	1.4
123.11812	1.0
127.03992	1.0
133.10275	0.7
137.06079	1.2
143.05736	1.3
145.10185	0.7
147.04535	1.6
149.13449	1.0
149.16304	0.6
157.99884	2.0
159.00543	15.5
159.11836	0.6
167.03351	0.6
167.07121	0.7
169.04881	0.7
173.13358	0.6
175.04083	1.8
177.75322	0.6
179.92088	0.6
185.04262	2.8
207.06531	3.4
216.07680	1.1
287.05603	3.0
289.25409	0.8
313.08994	1.3
321.05814	35.9
331.09998	15.0
339.06998	0.9
349.05176	2.8
361.05936	0.7
405.07840	0.8
449.10580	1.9
467.11636	100.0
468.12256	0.9
485.12646	0.7
492.34067	0.7
508.14221	2.1
575.17261	93.1
576.17493	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01866	2.2
61.02915	4.4
67.05495	5.2
70.06596	4.1
70.19474	5.7
70.19892	4.2
72.08159	2.3
73.79139	2.1
79.05495	2.6
80.79948	2.2
82.46789	1.8
85.02902	4.1
91.05480	6.2
93.03391	4.7
93.07035	3.4
95.04970	59.0
95.05560	3.8
95.77429	1.7
96.61085	1.8
97.06497	2.0
103.05466	4.5
105.04575	2.0
106.04173	10.7
107.04945	2.4
109.02901	2.3
110.51833	1.8
114.06631	2.0
119.04955	3.6
121.06499	12.0
122.06064	2.1
123.04427	75.6
125.05995	3.7
131.04930	2.7
135.02713	2.1
135.04391	5.3
137.05969	4.2
139.03912	4.0
140.04675	20.9
145.02943	3.6
147.04431	3.6
149.05963	20.3
151.03906	3.2
153.09120	7.0
155.07043	45.3
161.05936	2.9
163.03888	8.9
167.07016	9.7
177.05463	18.3
177.33662	1.9
180.28520	1.7
181.08559	12.8
183.06528	100.0
191.07019	5.1
195.06572	3.6
207.06564	2.3
209.08089	74.2
223.04198	18.2
237.02849	2.9
243.08600	2.7
251.23296	2.0
313.74008	2.1
323.31738	1.8
365.43896	2.0
467.72809	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81044	0.2
53.03957	0.3
55.01853	0.3
61.36129	0.2
65.03936	1.3
67.05519	0.4
68.99803	0.3
69.03426	1.1
70.06588	0.9
70.74834	0.5
70.75189	0.7
71.04966	0.3
73.02916	0.4
77.03937	0.8
79.05501	0.5
81.03424	4.3
81.07072	0.4
84.08191	0.4
85.02888	1.6
86.09726	0.4
89.03919	0.6
91.05481	19.5
93.07021	0.4
95.04971	0.6
97.02903	0.7
99.04446	0.4
103.05476	0.5
105.03339	0.5
105.07005	0.4
107.04949	0.4
109.02870	1.6
119.04942	26.1
120.05323	0.4
121.02834	0.4
123.04411	0.3
127.03955	1.4
129.03357	0.5
130.16866	0.3
131.86180	0.3
132.02055	1.0
132.04453	9.7
133.02917	0.4
135.04506	0.6
137.05940	0.5
143.05649	1.1
145.02843	1.0
145.05042	0.4
147.04405	23.6
149.02351	1.0
157.03978	2.0
160.03951	0.4
163.03941	0.4
164.04688	0.7
167.07042	2.3
174.03127	0.4
175.03908	43.1
175.20265	0.3
176.04449	0.4
177.05479	0.5
178.04991	71.9
179.05328	0.9
179.07019	1.7
192.04185	0.6
206.04483	100.0
207.06523	96.5
208.06854	1.7
225.07611	0.6
335.09079	0.9
351.06738	0.5
351.10736	7.1
368.09634	1.7
369.11752	4.8
375.09445	0.4
538.16675	0.5
556.18182	1.4
574.16168	1.0
574.28271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.6
52.93538	2.0
53.03937	9.7
55.01872	25.9
55.05510	38.1
55.92153	1.9
57.03435	8.9
57.07073	3.4
65.03931	4.2
67.05505	84.3
69.03423	4.0
69.07066	31.6
70.22175	2.2
71.04988	6.9
71.28271	2.0
71.60141	2.4
71.60516	2.1
79.05494	100.0
81.03416	14.0
81.07060	84.8
83.04980	15.6
83.08624	18.4
85.06533	6.1
91.05479	79.8
93.07044	86.6
93.07639	4.3
95.04967	29.2
95.08601	46.7
97.06528	37.1
97.10158	13.3
99.04454	2.2
99.08080	2.9
103.05471	2.4
105.07036	71.8
107.04958	31.4
107.08596	50.6
109.06519	17.8
109.10167	16.3
111.04431	3.4
111.08091	6.0
115.05483	3.1
117.07034	24.1
119.08588	47.9
121.06488	5.3
121.10138	19.6
123.08086	8.2
123.11724	3.6
125.09611	11.4
128.06163	4.2
129.07018	16.1
131.08534	25.1
133.06519	3.7
133.10124	29.4
135.08040	10.3
135.11691	22.8
137.09613	5.0
137.13210	2.0
141.07050	2.8
143.08572	16.1
143.61313	2.1
144.72321	2.2
145.10124	35.8
147.08063	6.0
147.11691	42.5
149.09619	28.4
151.11145	4.8
153.09131	2.0
155.08528	3.0
157.10121	8.7
159.08051	3.7
159.11728	13.6
161.09610	5.5
161.13304	13.3
163.11182	23.4
165.09134	2.1
165.12805	2.3
169.10179	6.4
171.10223	4.0
171.11668	31.6
173.11836	3.2
173.13258	7.0
175.11243	2.8
175.14760	2.6
177.09273	2.6
177.12769	4.5
181.10144	2.5
181.12213	3.1
183.11804	3.7
185.13310	4.9
187.11166	5.3
187.14838	2.8
189.11214	6.4
189.12811	8.4
193.12325	2.7
197.13284	3.7
203.14328	3.0
207.13805	19.1
220.06349	2.3
225.14703	2.3
227.12785	44.2
229.19443	4.0
251.12872	2.7
257.19141	11.4
263.95380	2.2
273.18439	16.0
275.20065	80.8
279.15997	2.4
281.17477	40.8
283.15335	2.3
289.18109	2.3
291.19577	17.7
293.21097	4.4
347.22015	4.4
349.23694	27.1
365.23349	3.0
377.23233	5.1
451.26620	5.2
537.35535	3.3
541.35370	6.1
555.37073	35.8
573.35925	22.3
573.48340	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	573.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01867	11.1
55.05509	25.7
57.03443	6.7
57.07059	3.5
57.89727	1.4
58.28219	1.3
59.04993	1.5
64.74988	1.3
65.03930	3.1
65.66455	1.4
67.05502	45.2
69.03427	9.5
69.06717	2.5
69.07064	32.6
69.41759	13.9
71.04988	4.1
71.08638	2.6
71.27918	1.4
73.02900	2.2
79.05492	56.2
81.03418	10.5
81.07053	47.5
83.04990	9.9
83.08617	14.8
85.02902	2.0
85.06529	2.3
91.05476	36.5
91.06012	3.0
93.07034	58.8
95.04971	19.1
95.08600	43.3
97.02879	9.7
97.06525	10.4
97.10145	9.2
98.98466	5.1
99.04439	2.9
103.05499	1.7
105.04538	1.7
105.07017	31.9
107.04957	19.4
107.08587	39.2
109.02881	2.1
109.06516	4.6
109.10136	8.7
111.04432	2.2
111.08081	4.7
115.05428	2.5
117.07016	19.3
119.08572	27.5
121.06523	8.9
121.10149	18.0
123.08057	5.1
123.11704	1.4
123.91613	1.4
125.05975	2.2
125.09598	6.7
128.06245	1.8
129.06987	7.7
130.07785	1.6
131.04991	2.0
131.08557	12.1
133.06470	5.3
133.10126	15.2
135.08037	5.7
135.11684	39.8
137.09558	2.0
143.08530	7.0
145.06447	2.3
145.10123	28.9
147.08037	8.7
147.11687	8.8
149.09642	5.2
149.13194	2.1
151.11090	2.2
153.09175	1.7
153.12704	1.5
155.08508	2.5
157.10150	4.2
159.08119	2.1
159.11665	7.0
161.09596	4.7
161.13217	3.5
163.11186	46.7
169.10089	2.4
171.11696	5.0
173.09579	3.4
173.13176	1.8
175.11192	5.1
177.12787	2.0
179.10779	1.6
181.10841	1.5
181.12204	10.5
185.13213	1.9
189.11217	4.1
189.12773	2.7
199.11269	1.4
205.12212	2.4
207.13858	2.0
223.13335	10.6
225.11124	1.6
227.12773	79.2
245.19119	1.7
249.14906	2.1
255.17340	1.9
257.19012	3.5
273.18454	20.7
275.20087	16.0
281.17447	6.6
283.15485	5.4
291.19519	72.6
313.27267	2.6
335.07361	2.9
347.22211	5.1
349.23737	3.4
555.36047	6.4
573.34155	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3035
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05512	5.7
57.03433	6.7
57.07080	28.1
67.05513	9.6
69.03415	1.3
69.07076	5.6
69.69109	6.9
71.08636	20.0
79.05515	4.6
81.03412	4.0
81.07060	13.7
83.04924	1.1
83.08633	7.5
85.02943	1.0
85.10187	11.9
91.05470	3.7
93.07069	4.9
93.07566	0.9
95.04983	1.6
95.08610	15.2
97.06588	1.2
97.10161	3.6
98.20845	1.8
98.98475	28.6
98.99123	1.7
99.04429	1.3
100.67620	0.9
105.07014	3.0
107.04955	1.7
107.08604	2.3
109.02863	3.7
109.10160	7.4
116.99522	1.3
119.08600	2.5
120.16925	1.0
121.10128	1.7
123.11685	2.5
133.10094	1.1
135.11699	1.4
137.13309	1.4
145.10136	1.2
147.11653	1.1
155.01056	26.3
159.08112	1.3
173.02124	2.1
178.83939	1.0
209.11592	1.1
231.11693	1.0
231.77431	0.9
239.23633	5.2
261.03653	1.1
291.19543	1.6
313.27380	100.0
314.27600	1.7
317.06323	3.3
331.27914	0.9
333.84366	0.9
335.07401	1.9
372.51895	1.0
393.24030	4.0
401.28787	3.5
410.04166	0.9
537.27887	3.1
573.34711	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	570.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33521	1.0
55.00180	1.1
56.05042	1.2
59.84099	1.1
62.06989	1.1
67.05495	1.5
69.03425	1.9
69.07059	1.3
69.41934	10.2
70.06587	2.5
71.04990	3.6
72.08174	1.6
74.06081	1.9
79.05502	1.5
81.03441	1.2
81.07075	2.1
84.08127	1.5
84.69744	1.1
85.02911	6.6
86.09707	1.8
91.05472	2.2
93.07021	1.7
97.02898	1.4
98.20684	2.2
105.07036	2.0
109.02850	1.4
109.06601	1.2
110.07166	1.5
111.04402	1.4
115.05444	1.3
121.10149	1.2
124.07547	1.3
125.05982	1.4
127.03911	1.9
128.06155	1.6
129.05417	1.9
129.07030	7.0
131.04950	1.6
131.08549	7.3
137.05977	4.9
139.68993	1.2
141.01839	1.2
141.06981	4.9
143.05698	5.9
145.02937	1.8
147.04393	1.4
151.07625	1.4
152.07094	1.3
157.06447	6.4
158.07251	2.1
159.08040	6.5
164.07065	1.5
167.07066	4.3
169.06493	2.7
174.06766	12.1
175.03960	1.9
175.07547	3.0
177.05475	3.1
182.08116	2.3
186.06747	2.2
187.07544	1.3
189.09109	26.3
191.10663	1.7
201.09135	9.2
207.06558	3.7
208.09624	1.3
219.10165	100.0
220.10527	1.4
237.11143	1.2
262.41782	1.4
271.05988	16.1
272.06351	2.9
273.06531	2.1
274.06812	1.5
285.11609	1.3
345.02847	3.1
352.13739	1.4
378.89822	1.1
384.48373	1.2
417.11761	1.7
538.21606	2.0
561.16113	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01867	1.0
55.05504	1.6
56.96566	1.0
57.03436	8.1
58.02185	0.8
65.03934	1.9
67.05492	1.4
69.03427	4.0
69.07076	1.3
70.06586	1.2
71.04992	55.3
73.02908	2.7
75.04477	4.2
75.06254	0.8
79.05498	0.9
81.03438	1.2
81.07064	2.1
83.04971	5.0
85.02903	69.4
86.09685	1.1
87.04452	2.1
89.03915	1.1
91.05478	100.0
93.07059	2.0
93.67036	0.8
95.04967	1.4
95.08647	1.1
97.02863	5.0
99.04443	1.1
100.87548	0.9
105.07024	1.6
107.04981	1.4
107.08594	1.0
109.02885	2.7
110.76254	0.9
111.04441	3.1
117.03374	3.4
118.03773	1.0
118.52267	0.9
119.04958	1.2
119.08599	0.9
123.04411	1.3
127.03937	5.3
129.05479	29.6
133.10112	0.9
136.01033	1.0
137.02362	1.0
137.06068	1.4
143.05615	4.1
145.02844	6.3
145.04941	1.7
145.06624	1.1
146.03192	3.3
147.03033	0.8
147.04457	1.5
147.06509	14.3
164.09180	1.8
165.07738	0.9
167.03474	1.0
167.07050	3.5
168.07341	1.2
175.03894	1.4
177.05470	11.6
178.05794	7.8
207.06522	2.7
245.08116	4.3
261.16486	0.9
339.13272	1.1
382.53152	1.0
443.45465	0.9
466.95694	0.9
538.21777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	8.3
65.03934	2.2
69.03426	4.1
69.54940	1.6
69.55269	15.9
71.01329	2.0
71.04993	44.0
71.85556	1.8
73.02921	3.5
75.04461	4.1
81.03419	3.4
81.07082	2.8
83.04987	6.3
85.02905	75.6
85.03429	3.8
87.04467	2.0
87.95003	1.9
89.03860	2.0
91.05481	100.0
97.02888	5.9
107.04913	2.2
109.02872	2.4
111.04433	2.8
117.03378	4.1
118.03819	2.3
127.03905	4.6
129.05486	30.7
137.05956	2.1
143.05615	9.8
145.02792	9.1
146.03200	5.2
147.04393	2.7
147.06531	11.6
149.05981	2.0
162.62683	2.0
167.07057	20.1
177.05493	15.3
178.05798	8.9
193.08511	4.5
207.06551	3.1
211.09648	2.6
212.70398	1.9
245.08195	3.6
257.16095	2.0
404.75333	2.2
506.19388	2.6
538.21991	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	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75608	0.3
55.05505	0.6
65.32099	0.3
67.05489	0.9
68.99793	0.4
69.03432	1.9
69.07076	0.4
70.01286	0.5
70.01696	1.1
70.06580	0.3
77.55608	0.3
81.03397	1.0
81.07040	0.8
83.08640	0.4
85.02902	1.0
89.03912	1.0
91.05473	1.2
93.07034	0.4
95.08632	0.5
97.02876	0.7
103.05431	0.4
105.07031	0.8
107.05004	0.3
107.08585	0.4
107.50951	0.3
109.02868	0.8
109.10174	0.6
117.03379	4.1
117.07021	0.5
121.10139	0.5
127.03914	1.1
135.04454	0.4
145.02850	9.8
146.03236	0.4
147.02910	0.6
147.04440	0.6
148.76627	0.3
149.05991	1.6
167.07083	0.7
173.06090	0.3
177.05472	19.2
178.05827	0.6
181.06467	0.6
186.05318	0.4
200.04883	0.3
203.05324	1.3
215.07164	0.4
225.05428	0.4
259.08078	0.8
261.07571	0.8
271.13889	0.5
285.07593	1.1
295.14316	0.4
407.24158	1.3
433.87445	0.4
457.20410	2.1
471.22110	3.2
487.21420	1.0
534.94421	0.4
569.29327	100.0
570.29633	1.4
589.00018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.2
55.05504	0.3
61.02910	0.3
62.54048	0.2
67.05488	0.6
68.99792	0.4
69.03437	0.7
70.36238	0.4
70.36635	0.7
79.05495	0.3
81.03413	0.8
81.07058	0.4
83.05029	0.2
85.02906	0.7
89.03922	0.6
91.05482	0.4
93.07040	0.4
94.07073	0.2
95.08592	0.3
97.02894	0.3
98.31039	0.2
101.14384	0.2
105.07008	0.2
107.04949	0.2
107.08607	0.4
109.02844	0.5
117.03387	2.1
121.10133	0.3
127.03916	0.7
129.01859	0.2
133.10138	0.3
136.93446	0.2
137.06003	0.2
143.72656	0.2
145.02840	5.5
146.03163	0.2
147.11710	0.3
149.05998	0.9
167.03404	0.2
167.07062	0.5
177.05476	11.2
178.05823	0.3
185.04164	0.3
191.07130	0.2
201.03682	0.3
203.03583	0.2
203.05319	0.9
215.07137	0.2
253.12819	0.3
259.07932	1.0
261.07828	0.3
271.14133	0.3
273.89978	0.2
285.07611	0.5
295.15054	0.3
331.09985	0.5
333.20032	0.3
394.00964	0.2
407.23926	1.6
424.17184	0.3
457.20447	2.4
471.21973	2.3
487.21478	0.8
551.28064	0.3
569.29321	100.0
570.29486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	0.4
53.03938	0.6
55.05507	0.6
61.02925	0.7
67.05499	1.2
68.99791	1.3
69.03429	3.3
71.04974	0.4
71.50361	0.5
71.50673	0.5
79.05481	0.8
81.03403	1.6
81.07040	1.0
85.02906	2.1
89.03905	2.7
91.05480	1.7
93.07034	0.9
95.08620	0.7
97.02876	1.1
99.04448	0.4
103.05456	0.4
105.07043	1.0
107.08561	0.8
109.02890	1.6
109.10173	0.4
117.03378	6.8
118.96222	0.4
119.04935	0.5
123.04408	0.9
127.03913	2.8
129.01839	1.3
131.04930	0.7
131.08603	0.4
133.10100	0.4
134.03612	0.7
135.04398	1.0
137.05972	0.6
145.02843	17.6
145.10101	0.5
146.03145	0.6
147.04414	0.4
149.05983	2.3
157.10089	0.5
167.07043	1.5
175.03947	0.8
177.05466	34.3
178.05797	0.9
181.06493	0.9
184.05209	1.4
203.05330	0.9
207.06497	0.9
210.06757	1.2
212.04662	1.5
215.07025	0.5
225.05634	0.5
238.06183	2.1
243.06404	0.5
253.04919	0.6
255.06505	3.7
257.08017	0.7
258.05286	0.4
259.07968	0.9
261.07614	1.3
267.06320	0.4
269.04413	0.4
270.05020	0.7
271.06155	0.5
282.05383	0.5
283.05994	3.4
284.06760	3.4
285.07520	3.4
286.08322	0.7
303.08319	0.5
321.16699	1.4
407.24258	1.4
481.24054	0.9
483.21964	8.1
483.28635	0.8
551.28662	0.5
569.14606	6.8
569.29315	100.0
570.15057	0.5
570.29419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.05511	0.9
57.07084	0.5
67.05504	2.0
69.03436	0.9
69.07056	0.7
71.04993	0.6
71.61352	0.7
79.05495	1.3
81.03420	1.0
81.07055	2.1
83.01071	0.7
85.02868	0.6
91.05482	1.3
93.07031	1.6
95.04995	0.8
95.08647	0.8
97.02901	0.5
97.10168	0.6
105.06988	1.0
107.04996	0.7
107.08577	1.3
107.34812	0.4
109.02934	0.6
109.10155	1.0
115.05424	0.5
116.13540	0.5
117.03390	0.8
117.07012	0.9
119.08572	0.8
127.03883	1.2
131.08492	0.6
131.29079	0.4
133.10057	0.6
145.02863	2.5
177.05458	4.3
184.03397	0.7
185.04242	1.0
201.03683	1.2
203.05165	2.3
225.14987	0.5
229.98085	0.4
256.98050	0.5
259.07944	2.4
264.91940	0.5
321.16605	2.6
331.10123	1.1
349.16129	0.6
453.21005	2.4
457.20303	1.2
471.21863	3.8
481.23700	0.5
483.22021	100.0
484.22333	1.7
551.28149	8.8
569.29169	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	568.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.05501	13.8
57.07069	12.4
57.53146	3.2
59.04992	2.7
67.05499	23.9
69.03431	4.5
69.07072	18.6
70.03420	17.1
71.08626	3.4
79.05500	25.6
81.07059	44.1
83.04987	5.5
83.08610	6.5
88.07639	3.8
91.05483	52.2
93.07041	53.9
94.07856	3.6
95.04971	50.5
95.08611	27.5
97.06497	3.3
97.33172	2.9
103.05451	3.2
105.07037	93.5
106.07868	4.1
106.49462	2.6
107.08606	48.6
107.85706	2.8
109.06498	3.7
109.10153	21.2
115.05465	6.8
117.07025	24.0
119.08585	100.0
120.09395	8.6
121.10165	38.7
123.08066	15.2
123.11701	8.1
128.06216	13.1
129.07002	17.0
130.07777	13.0
131.08582	57.2
132.09344	10.9
133.10133	69.3
134.10921	9.5
135.08052	6.1
135.11668	21.1
137.09615	11.7
138.10368	3.7
138.89407	3.0
141.07005	7.3
142.07799	16.5
143.08572	52.4
144.09349	11.8
145.10126	92.3
146.10843	6.2
147.11693	31.6
149.09602	4.9
149.13272	6.1
151.11191	5.6
153.07014	2.8
155.08557	14.3
156.09358	20.8
157.10139	53.5
158.10907	9.0
159.11691	42.7
161.09665	4.6
161.13263	9.0
163.11241	3.7
167.08563	12.0
168.09358	6.5
169.10188	27.1
170.10913	9.4
171.11702	39.3
172.12500	10.0
173.13271	28.9
175.14828	25.1
177.12737	7.4
179.08554	5.6
180.09338	5.4
181.10147	19.5
182.10907	9.3
183.11749	27.9
184.12457	5.9
185.13290	28.7
186.14024	6.6
187.14795	15.7
189.12697	5.6
191.14322	9.2
193.10153	5.7
194.10884	6.1
195.11697	19.2
196.12460	7.3
197.13274	31.3
198.14038	9.1
199.14842	13.5
201.12698	4.2
201.16455	6.9
207.11737	16.4
209.13283	28.9
211.14876	20.9
213.16310	3.7
217.15985	6.1
221.13303	9.1
222.14099	4.2
223.14853	11.6
224.15787	3.1
225.16377	8.8
231.17679	3.1
233.13286	3.3
235.14864	10.7
237.16409	11.5
239.18036	8.7
241.19720	3.6
249.16479	7.2
251.17868	4.5
253.19560	3.1
263.17929	7.0
265.19528	6.2
275.17868	6.7
277.19400	7.3
311.29572	4.5
323.23651	6.3
337.25345	7.0
338.26074	48.7
430.32230	15.3
476.36401	14.9
568.41882	24.2
568.56586	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	568.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.8
60.04514	1.7
62.11148	0.5
64.31548	0.5
67.05486	1.1
69.07070	9.0
69.73626	2.9
69.74033	1.0
70.06589	6.8
75.05595	1.7
75.62053	0.5
83.06105	3.7
84.04482	0.9
85.06500	0.5
86.09705	100.0
87.04449	1.5
91.05475	0.7
91.16415	0.5
93.04523	2.1
95.06083	3.4
95.08586	1.4
98.97601	0.8
102.05510	0.8
104.07098	3.1
110.07163	61.0
112.03970	9.6
116.98607	0.7
119.04919	0.8
123.07991	0.6
127.03947	0.7
130.04976	0.6
130.06496	1.0
134.56754	0.5
139.05023	1.1
143.05656	1.5
143.11792	7.6
147.04361	0.6
156.07686	75.3
157.07626	0.9
157.09726	1.6
159.09134	0.6
165.05482	0.6
166.06073	1.1
167.07088	0.6
169.06107	4.5
175.03990	0.8
175.08720	2.5
185.09251	0.8
187.07233	0.8
207.06476	1.5
215.10707	1.2
223.15604	1.0
224.14041	0.7
243.10239	0.7
251.15038	3.0
254.15001	2.7
269.16071	20.0
272.07953	0.8
272.16061	8.2
279.06580	0.8
300.15546	21.7
301.11911	0.8
325.59299	0.5
327.81433	0.5
338.36035	0.5
348.08667	0.6
366.14487	2.8
375.14395	2.3
375.64804	0.8
385.24564	0.6
412.09860	1.0
413.23990	3.8
416.42886	0.5
439.26907	1.4
550.29718	2.4
568.30927	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.7
57.03453	4.3
61.02941	3.5
67.05479	4.8
69.03437	8.9
69.68256	8.9
69.68676	12.8
70.06594	6.5
79.05501	6.3
81.03439	4.7
81.07048	4.9
82.77968	3.0
84.08140	4.2
85.02900	15.8
85.60104	2.6
86.09705	7.3
91.05476	12.5
92.49432	2.8
93.07025	3.9
95.04958	7.7
95.66298	2.9
97.02888	12.0
98.21532	3.3
103.05445	5.6
103.11639	3.8
105.07021	16.5
106.96414	3.3
107.04950	22.6
107.08614	4.7
109.02903	3.8
109.06416	3.6
115.05424	8.1
117.03431	4.6
117.07060	3.4
119.04971	3.2
119.08601	9.8
119.63887	3.1
120.08110	4.4
123.04420	5.9
127.03939	5.1
128.46532	3.2
129.07011	6.1
131.04977	7.7
131.08664	3.3
132.05705	4.9
133.06506	12.4
135.04433	3.9
137.05948	19.6
138.05495	3.8
143.05655	21.7
145.02881	4.6
145.06479	4.4
147.04446	9.4
147.08052	7.5
152.04631	3.5
153.01846	11.8
153.05501	3.4
159.08023	4.1
160.05257	8.2
161.05981	16.1
163.03929	5.9
163.07590	4.5
167.07043	100.0
167.08414	6.6
168.07399	3.6
171.02907	6.5
172.62329	3.4
175.04111	4.2
175.07550	88.2
177.05461	13.9
179.10649	3.1
187.07460	15.0
191.07031	9.4
193.08586	46.5
205.08621	6.5
207.06538	10.0
235.09511	3.2
250.96487	3.2
287.05508	23.7
288.05777	27.2
289.06116	17.0
290.06583	16.3
309.11255	3.9
341.13763	19.9
353.13922	12.0
355.15359	9.9
371.14856	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	567.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	29.4
57.07071	8.9
65.03925	7.3
67.05505	51.6
67.76011	5.1
69.03443	7.5
69.07079	32.0
71.60442	7.3
71.60853	6.3
79.05497	40.1
80.05869	5.3
81.03381	7.1
81.07065	70.9
83.04960	10.3
83.08605	14.0
83.51170	4.7
85.06519	6.2
91.05484	54.0
93.07046	75.1
95.05000	12.3
95.08615	58.7
97.06533	11.2
105.07041	85.5
107.08603	88.4
107.88579	6.0
109.06535	13.2
109.10149	57.5
117.07030	16.9
119.08588	92.8
120.64677	5.5
121.06541	6.9
121.10130	76.2
123.08067	6.7
123.11717	25.3
129.06985	17.6
130.07787	6.6
131.08551	40.6
133.10132	98.9
135.08011	7.4
135.11690	60.8
137.09616	11.8
141.06944	7.3
142.07770	13.1
143.08542	35.6
145.10127	78.3
147.11700	27.9
149.09555	7.1
149.13249	9.6
155.08545	16.7
156.09346	18.2
157.10132	47.6
159.11708	37.6
160.18484	5.6
161.09589	7.2
161.13261	13.3
163.11209	6.9
165.07091	6.4
169.10092	27.6
171.11681	35.8
173.09595	7.6
173.13220	34.2
175.14812	40.5
179.08534	12.9
181.10127	20.9
182.10922	9.7
183.11722	26.6
185.09607	6.8
185.13295	16.3
187.14781	32.9
189.16344	8.8
193.10158	14.8
194.10925	10.0
195.11691	18.3
196.12367	8.1
197.13289	27.2
199.14812	17.3
201.16458	9.2
203.43353	5.7
206.11044	5.9
207.11757	18.1
208.12592	5.8
209.13333	31.1
211.14824	18.1
213.16501	11.6
217.15836	5.6
219.11726	5.9
221.13243	14.1
223.14844	17.6
225.16270	10.0
233.13232	12.5
235.14842	18.5
241.19568	12.2
243.21152	6.6
245.13432	8.5
247.14844	18.4
251.18282	7.5
253.19463	7.5
260.15540	6.2
261.16367	10.9
263.18033	11.3
265.19510	6.3
269.19055	6.0
273.16315	8.7
275.17978	7.1
289.19431	7.0
361.25183	10.8
410.48944	7.3
427.29651	11.4
429.31570	18.8
475.35556	9.0
549.40802	30.6
567.41718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30159	0.3
53.03954	0.5
54.31706	0.4
54.42649	0.3
55.01871	0.7
55.05510	2.1
56.96574	0.5
57.03430	1.2
59.04984	0.6
61.02927	0.4
67.05504	7.2
69.03436	1.5
69.07056	1.1
70.14402	1.7
71.04992	1.3
79.05489	3.1
81.03414	5.1
81.07055	4.6
83.04974	1.0
83.08626	1.1
84.11049	0.3
85.02906	1.7
85.06545	0.4
91.05469	3.4
93.07056	3.6
95.04991	1.6
95.08595	2.1
97.02894	1.1
97.06567	0.5
97.10181	0.5
98.21448	0.5
105.07024	2.7
107.04977	0.4
107.08608	1.7
109.02885	0.8
109.06512	0.7
109.10162	3.5
110.19193	0.4
111.08079	1.1
117.07011	0.7
119.08583	1.5
121.10161	1.4
123.08002	0.5
123.11729	0.5
125.09641	0.4
127.03944	0.6
129.07013	0.5
131.08582	1.0
133.06468	0.5
133.10120	1.2
135.11707	0.5
137.06003	0.6
137.09639	0.6
147.11688	1.4
149.09659	1.0
149.13268	1.0
157.10127	0.9
159.11728	0.7
165.12703	0.5
167.07124	0.5
173.11763	1.2
175.11243	0.6
177.12784	0.4
193.12263	0.7
195.13666	0.4
207.06494	0.4
219.61349	0.4
233.11594	0.5
251.12662	1.7
267.16049	0.4
268.04166	0.3
269.25272	0.3
271.06143	0.6
283.06000	0.5
283.15173	10.8
295.06137	0.6
296.06870	0.7
307.15320	0.9
339.17816	5.9
349.17038	0.4
350.63870	0.4
395.20731	0.5
423.27646	0.6
452.43481	0.4
567.31445	100.0
568.31628	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.05499	1.1
56.96562	0.4
67.05492	1.2
69.03416	1.4
69.07072	1.1
70.06580	0.4
70.93868	0.6
70.94197	0.4
71.05001	0.6
72.08114	0.4
73.02891	0.5
79.05508	1.0
81.03419	1.4
81.07046	2.1
83.04963	0.5
83.08625	0.4
85.02909	1.6
85.06545	0.6
91.05485	2.1
93.07046	1.3
93.81274	0.4
95.04973	1.1
95.08624	1.2
97.02900	1.0
97.06544	0.5
99.04453	0.5
103.05450	0.4
105.07028	1.7
107.04935	0.8
107.08582	1.2
109.02866	0.9
109.06498	0.5
109.10182	1.0
115.05442	0.4
119.04996	0.8
119.08582	0.8
121.06477	0.5
121.10141	1.0
123.04416	1.2
127.03899	1.1
131.04945	0.5
133.06506	0.5
133.10120	0.9
135.04410	0.4
135.11720	1.2
136.54286	0.4
137.02338	1.2
137.05965	2.7
137.86403	0.4
140.98459	0.3
143.05637	1.4
145.02910	0.5
145.04893	0.4
145.06493	0.4
147.04381	2.0
147.11771	0.4
149.05997	0.4
149.09615	0.5
151.03874	0.5
153.05502	0.6
161.06021	0.7
163.03915	0.5
167.06995	3.4
173.09657	0.4
175.07579	0.5
175.14810	0.4
177.05493	0.7
179.07062	0.5
179.68539	0.3
185.04266	0.6
191.06978	0.5
203.05263	0.7
203.07095	0.4
207.06531	1.2
211.07397	0.4
211.16917	0.6
220.27509	0.4
250.48241	0.4
259.07864	1.0
277.08557	0.5
331.09937	0.9
331.18872	0.8
400.06479	0.5
405.22449	1.3
415.04144	0.7
419.08771	0.7
426.07538	0.5
428.04944	0.6
429.06033	0.9
430.06833	0.9
431.18948	1.8
443.07568	1.0
444.08203	0.6
445.09500	2.1
458.09882	0.9
459.10794	0.7
465.09692	0.5
507.10611	0.5
523.30267	0.6
535.10181	1.6
536.10754	0.6
539.28687	0.6
552.10370	1.1
553.11334	1.3
567.12903	10.7
567.27753	100.0
568.13544	9.6
568.27472	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2775
Annotation	Ghalakinoside
Peak:m/z	Relative Intensity
50.39420	0.4
53.00689	0.5
53.03921	0.6
55.05503	1.9
57.03426	0.4
61.52715	0.4
65.03926	0.4
67.05183	0.6
67.05506	8.1
69.03412	1.8
69.07052	1.5
69.92350	0.4
79.05495	2.4
81.03416	5.1
81.07045	4.5
83.01114	0.5
83.04958	0.8
83.08599	1.1
85.06525	0.7
87.41311	0.5
91.04915	0.4
91.05477	2.4
93.07043	2.6
95.01073	0.5
95.04955	0.9
95.08578	1.9
97.02876	0.6
97.06508	1.0
97.10168	0.5
105.07017	1.6
107.08598	1.2
109.02849	1.3
109.10155	4.5
111.04410	1.0
111.08027	0.5
117.07021	0.7
119.08558	1.4
121.10130	1.0
123.08065	0.4
125.09624	0.6
127.03904	1.2
129.06999	0.5
131.08534	0.8
133.10127	1.1
147.11583	0.5
149.13210	1.3
159.11664	0.9
167.42119	0.4
173.11710	2.0
175.11130	0.6
184.71548	0.4
185.04242	0.9
189.11198	0.6
193.12244	0.7
195.13838	0.9
201.03635	0.5
203.05206	1.9
214.82272	0.4
227.12862	0.7
229.14360	0.7
259.07800	1.7
268.03531	0.6
281.04404	1.4
295.05878	1.0
296.06714	1.7
299.14877	0.9
331.09940	3.8
331.17606	1.5
339.17606	0.7
349.18582	0.5
355.17563	0.6
373.14606	1.3
387.16119	0.7
387.21228	0.9
395.20599	0.6
405.21695	1.8
413.17258	0.6
423.27295	1.2
427.19113	0.6
455.18640	1.8
466.74942	0.5
469.15051	0.6
469.20499	5.9
498.20535	1.0
549.26660	25.3
550.26593	0.6
567.27466	100.0
568.27936	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	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.05516	11.4
56.35747	2.2
57.07074	5.2
67.05511	21.0
69.07061	15.9
71.08639	3.3
78.61776	1.8
79.05494	16.8
81.03413	2.6
81.07062	32.1
81.82201	2.0
83.04964	5.1
83.08622	9.9
85.06516	2.7
91.05472	29.2
93.07047	31.8
95.04974	12.3
95.08612	26.9
97.06535	4.5
97.10161	2.2
105.07021	46.8
107.08589	24.9
109.06538	4.3
109.10138	14.8
115.05452	4.7
117.07013	12.2
118.07830	1.9
119.08585	53.9
121.04134	1.9
121.06543	4.6
121.10147	35.7
123.04421	3.0
123.08086	6.2
123.11739	5.2
124.32645	2.2
128.06271	4.6
129.07004	9.8
130.07774	3.1
131.08578	18.4
133.06509	2.2
133.10133	29.1
135.08069	4.5
135.11653	10.7
137.09651	5.3
137.13324	2.1
138.40959	2.3
139.11166	2.7
141.06990	5.6
142.07809	15.0
143.08549	25.5
144.09343	5.2
145.10147	28.5
147.08095	4.1
147.11681	12.3
149.09644	8.8
151.07515	2.3
151.11177	2.6
154.07819	2.6
155.08557	13.8
156.09332	10.8
157.10129	29.9
158.11003	4.9
159.11720	16.5
161.09749	3.6
161.13271	6.8
163.11174	4.2
165.07089	4.3
165.09175	7.7
167.08627	6.9
167.10657	14.0
168.09351	4.6
169.10146	17.8
170.10945	5.1
171.11696	20.3
173.09756	3.2
173.13281	19.6
175.11183	2.9
175.14868	5.0
179.08653	7.4
180.09430	4.5
181.10176	10.5
181.12262	3.7
182.10970	3.3
183.11685	14.2
184.12480	2.8
185.13283	13.4
187.14816	4.9
191.14455	2.2
193.10162	12.7
194.10939	6.1
195.11719	15.5
195.13351	2.6
196.12474	2.4
197.13226	12.2
199.14819	12.1
201.16426	3.4
203.14311	3.7
205.10144	3.7
206.10980	5.2
207.11848	12.8
207.13658	3.9
208.12561	3.6
209.13289	20.7
210.14043	3.6
211.14841	8.3
213.12764	2.3
213.16524	4.0
215.14398	2.5
218.11028	3.2
219.11740	3.9
220.12494	4.1
221.13275	8.9
221.15457	17.1
222.14091	4.1
223.14870	8.5
225.16414	3.4
231.11809	3.7
232.12483	4.0
233.13280	7.7
233.15436	6.2
235.14905	5.3
237.16425	6.9
239.18044	4.8
243.11734	3.1
244.12665	3.5
245.13278	4.8
246.14090	3.5
247.14877	5.2
248.15953	3.2
249.16408	6.0
251.18059	4.1
253.19693	5.2
257.13373	2.8
259.14865	4.0
260.15649	3.6
261.16403	5.6
263.17996	5.0
265.19644	6.6
273.16409	4.5
275.18027	5.1
277.19568	3.8
285.16214	3.1
289.19476	3.3
295.20880	2.8
303.21011	3.0
309.16977	3.6
313.27380	3.7
317.22540	2.3
329.22729	3.2
343.24268	5.0
357.25769	2.7
473.34555	6.9
547.39453	15.3
565.40472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00017	1.0
52.83381	1.1
53.03943	2.8
55.05511	11.5
57.07059	4.6
59.05001	2.1
65.03930	2.4
67.05498	16.9
67.63697	1.1
69.03421	3.3
69.07060	11.3
69.42255	11.0
71.04987	1.1
79.05489	13.0
81.07051	21.6
83.04975	3.5
83.08605	6.4
85.06509	2.8
90.99083	1.2
91.05475	23.0
93.07038	30.2
95.04967	9.5
95.08602	19.7
97.06545	4.8
97.10159	1.4
103.05470	2.2
105.07024	47.6
107.08585	29.2
109.06528	5.4
109.10149	18.9
111.08083	1.4
115.05418	2.8
116.06239	1.8
117.07003	10.9
119.08575	55.3
121.06500	3.2
121.10138	35.6
123.08035	6.2
123.11686	6.7
125.06039	1.3
125.09621	2.8
128.06184	6.3
129.06992	11.1
130.07782	5.1
131.08554	20.9
133.06488	1.4
133.10118	32.4
135.08072	5.0
135.11664	10.8
137.09621	6.2
141.07004	5.3
142.07780	14.4
143.08560	23.8
144.09314	4.9
145.10101	35.4
147.08040	7.1
147.11679	10.4
149.09631	6.2
149.13345	1.3
151.07559	3.8
151.11211	1.4
153.06978	3.1
154.07761	2.6
155.08548	13.5
156.09341	13.7
157.10120	33.0
158.10884	4.0
159.08076	3.2
159.11676	18.0
161.09630	3.6
161.13274	5.1
163.11223	3.6
165.07018	3.0
165.09119	8.6
166.07826	1.7
167.08592	6.2
167.10640	12.8
168.09346	5.5
169.10109	18.7
170.10918	6.4
171.11716	22.5
172.12477	2.4
173.09607	2.6
173.13252	20.5
175.11226	1.8
175.14835	6.5
177.12726	1.2
178.07748	1.7
179.08578	9.2
180.09314	4.3
181.10143	13.1
181.12224	3.7
182.10901	6.1
183.11667	15.9
184.12445	2.9
185.09682	1.3
185.13252	13.2
186.13936	1.2
187.14845	7.5
189.12790	4.8
191.08598	2.2
191.14311	2.3
192.09366	4.9
193.10097	11.5
194.10902	7.4
195.11682	15.2
196.12471	5.3
197.09650	1.5
197.13252	15.8
199.11189	1.7
199.14818	10.9
201.16423	3.5
203.08691	1.9
203.14362	6.2
205.10201	3.5
206.10852	7.7
207.11717	14.6
207.13600	2.0
208.12411	7.6
209.13252	20.6
209.15189	1.1
210.14030	3.7
211.14833	8.5
213.12718	1.8
213.16365	3.7
215.14365	4.5
217.10114	2.7
218.10992	2.1
219.11736	7.5
220.12410	5.7
221.13261	13.8
221.15411	19.0
222.14055	3.4
223.14781	12.2
224.15524	1.5
225.16359	7.0
227.17926	2.1
229.15923	1.7
230.10872	2.2
231.11697	4.6
231.13948	1.8
231.17693	1.4
232.12442	3.2
233.13255	9.1
233.15430	5.7
234.14047	3.6
235.14810	8.3
237.16409	7.3
239.18024	5.3
243.11789	3.2
244.12553	2.5
245.13298	6.3
246.14027	4.8
247.14833	7.5
247.17017	2.5
248.15627	3.3
249.16348	7.7
250.17203	1.9
251.17941	7.9
253.19453	2.9
255.17523	1.5
257.13327	3.4
257.19272	1.3
258.11536	1.7
258.14053	3.2
259.14783	6.8
260.15640	3.6
261.16385	8.0
263.17960	6.4
265.19528	7.3
267.17493	1.7
267.21039	2.0
269.13144	1.5
269.19122	2.4
270.14063	1.4
271.14825	3.1
272.15448	2.3
273.16364	4.5
274.17245	2.6
275.17987	5.4
277.19446	5.6
279.21091	3.2
281.19061	2.0
283.20554	3.2
285.16309	2.2
287.17865	2.9
289.19504	4.5
291.21170	3.4
293.19113	1.2
295.14890	1.3
295.20547	2.2
297.22186	1.2
299.17770	2.2
301.19434	1.7
303.21167	2.8
307.20685	2.5
311.17767	1.9
313.19171	1.6
315.21222	1.5
317.22632	3.2
319.20676	1.7
329.22629	3.7
331.24240	3.5
333.22263	1.8
341.22391	1.5
343.24146	2.8
347.23685	2.2
355.24384	2.0
357.25912	4.1
365.24701	4.8
373.25485	1.7
385.29156	1.9
387.01367	1.2
425.28632	1.9
427.30472	1.4
443.29282	1.4
453.31433	1.5
473.34064	6.6
509.34152	2.3
547.39368	15.3
565.40363	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.05527	0.9
57.03439	1.2
65.03931	1.0
67.01103	0.9
67.05503	1.8
69.03423	5.7
71.66594	0.8
79.05488	1.7
81.03419	3.1
81.07026	2.4
85.02876	2.7
89.03899	3.2
91.05473	4.1
93.07033	2.8
95.04970	1.8
95.08611	2.2
97.02908	0.9
98.21484	3.8
103.05440	1.2
105.07028	2.0
107.08594	3.1
109.02863	1.4
115.17299	1.1
117.03386	13.5
117.07056	1.0
119.04945	2.0
121.02838	1.0
121.10129	1.7
127.03921	2.0
131.04868	1.0
133.06506	1.2
133.10185	1.4
134.03603	1.0
135.04422	2.5
137.05943	3.7
137.20706	1.0
145.02846	45.6
145.04001	2.2
145.06517	1.3
147.04405	2.4
149.05988	6.1
161.05992	2.0
163.03929	2.1
167.07047	6.1
173.06007	1.4
175.03899	2.3
177.05469	100.0
181.05005	2.2
191.06973	1.3
191.14383	1.8
193.08685	1.3
206.28958	1.0
207.06526	4.7
209.15379	1.4
212.07835	1.0
229.80592	1.0
249.87102	1.2
271.05994	3.2
297.11145	1.5
321.09552	1.8
339.10754	24.1
388.14725	1.1
409.09106	1.5
565.20923	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	565.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91021	1.4
51.12909	1.7
53.03941	1.7
55.01872	2.1
55.05507	4.3
56.96564	4.3
57.03427	2.2
61.02924	2.8
65.03931	2.4
67.05493	6.0
69.03419	9.3
69.07086	3.6
71.61380	2.1
73.02910	1.6
78.68446	1.3
79.05493	7.0
81.03415	6.3
81.07042	8.8
83.04987	3.5
83.08598	1.7
85.02885	6.4
89.03915	6.6
91.05483	11.8
91.20657	1.6
93.07032	5.6
95.04947	4.2
95.08610	6.0
97.02866	3.1
97.06538	4.3
97.10135	1.8
99.04446	2.6
100.37298	1.4
103.05449	2.4
105.07033	6.7
107.04926	4.5
107.08618	5.0
109.02903	5.2
109.10161	6.7
115.05447	2.4
116.01711	3.1
117.03384	18.0
117.07049	2.0
119.04943	6.7
119.08574	4.1
121.02882	2.8
121.06532	3.8
121.10112	3.7
122.60415	1.4
123.04456	3.3
123.08059	2.0
127.03922	6.1
131.04893	2.6
131.08618	3.1
133.02837	1.6
133.06535	3.3
133.10097	3.7
135.04472	2.8
135.08052	3.4
135.11659	1.7
137.05989	9.3
143.05664	7.1
145.02838	49.4
145.10106	3.0
146.09575	1.7
147.04405	5.3
147.11674	2.3
149.05946	8.2
149.09653	4.2
149.13286	2.0
151.03876	3.6
151.07602	1.7
153.05444	3.5
157.10147	2.3
159.08064	2.2
161.06030	3.4
162.02190	1.7
163.03891	4.0
167.07051	20.5
173.05956	1.8
175.03934	6.8
175.07510	3.7
176.14403	2.8
177.05466	100.0
178.05721	2.4
179.07074	4.3
181.04979	5.4
181.08626	2.1
191.07027	2.5
191.14334	2.7
193.04955	5.8
193.08575	2.0
195.06566	1.8
201.05602	2.4
207.06514	13.9
207.08228	2.6
209.08055	3.1
209.15382	3.5
217.08510	1.6
271.05927	9.9
287.05588	1.8
295.06073	1.9
307.09592	1.5
321.09891	2.9
323.62595	1.6
339.10764	21.5
355.11911	3.9
379.08142	2.4
389.23181	2.0
391.08301	3.0
397.09567	2.2
409.09082	2.6
427.10098	2.1
521.30341	2.3
565.27234	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	565.1554
Annotation	Apiin
Peak:m/z	Relative Intensity
56.37757	0.1
57.03440	0.5
61.02917	0.2
67.01862	0.3
68.99803	0.2
69.59825	0.7
73.02914	1.2
79.66195	0.1
84.58194	0.1
85.02927	0.2
91.05476	0.2
93.21711	0.1
98.21445	0.2
115.03947	0.2
119.04955	1.6
121.02850	0.4
132.74028	0.1
143.81917	0.1
144.10739	0.1
145.02798	0.6
153.01842	3.3
163.03918	0.4
171.02867	0.5
211.28423	0.1
225.05516	0.3
229.04910	0.3
243.06448	0.3
271.06015	100.0
272.06314	1.9
433.11319	10.0
434.11508	0.2
459.36954	0.1
565.15210	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	565.1548
Annotation	Vitexin 4'-O-xyloside
Peak:m/z	Relative Intensity
55.01862	2.1
55.78407	1.4
57.03442	10.1
61.02924	2.4
63.79942	1.3
69.03413	2.8
69.83444	1.5
73.02923	14.8
84.42355	1.2
85.02917	6.2
91.05473	1.6
97.02888	2.9
98.21619	2.8
109.02874	2.7
111.04440	1.9
119.04948	5.4
121.02869	20.9
145.02835	4.0
163.03917	2.4
165.01802	10.0
167.03403	4.3
177.05505	2.5
183.02893	4.8
187.03856	1.8
188.93553	1.3
189.01862	3.7
190.57581	1.3
191.03413	3.1
195.02899	4.6
203.03337	5.2
205.04796	1.6
207.02843	3.8
215.03374	1.7
217.04913	2.5
233.04507	2.3
241.05135	1.3
243.02954	2.6
261.03955	2.4
267.06552	7.3
270.05280	3.1
271.05975	9.9
279.06491	2.4
281.08090	8.5
283.06021	98.6
284.06757	13.5
293.08304	1.9
294.05066	3.9
295.06021	32.6
295.09381	3.4
297.07465	6.4
299.05426	1.8
305.08130	3.9
307.05994	13.4
308.06769	8.1
309.04111	2.4
309.07526	26.9
313.07059	100.0
314.07629	1.7
319.06186	1.7
320.06796	4.2
321.07510	13.7
322.08240	2.6
323.05579	2.4
323.09113	16.5
325.07056	21.3
333.07629	11.2
335.09116	4.7
337.07065	64.6
345.07578	4.8
347.09070	1.9
349.07031	26.2
351.08664	11.3
355.08221	2.7
361.07101	16.3
363.08569	7.2
367.08096	28.8
373.07034	5.6
375.08603	2.5
379.08105	41.4
383.07587	1.9
389.10269	1.7
391.08087	17.8
397.04153	1.0
397.09164	24.2
403.07883	2.7
409.09222	28.5
415.10266	38.9
421.08984	1.9
427.10272	32.4
429.09436	1.6
433.11392	42.9
445.10031	1.7
457.10739	3.9
463.10165	2.0
481.11304	10.7
493.11292	5.8
499.12570	8.3
505.48300	1.3
511.12418	20.7
529.13544	9.2
547.14362	4.2
565.15363	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	565.155
Annotation	Cachimoside
Peak:m/z	Relative Intensity
51.19579	2.2
54.52550	2.3
55.01876	3.8
61.44898	2.5
69.12656	1.9
69.14770	2.2
82.36826	2.5
85.02907	4.1
92.42590	2.2
107.04982	4.0
109.02926	2.9
119.04947	9.1
121.02867	39.7
145.02869	5.5
152.24738	2.4
161.02303	2.4
168.39334	2.3
177.01837	3.5
179.03444	2.9
189.01817	9.7
191.03400	5.7
195.02907	10.2
201.25610	2.6
203.03331	11.3
205.04929	3.5
207.02907	13.0
217.05040	3.9
219.02895	8.6
221.04445	3.7
227.03409	3.3
229.05052	3.5
233.04543	4.5
243.02927	2.7
245.04573	2.7
273.03848	3.2
279.06628	5.3
281.08017	6.0
283.05963	9.3
293.08206	4.2
294.05255	19.9
295.06015	100.0
296.06863	5.5
297.07709	5.9
307.06024	59.7
307.09525	5.4
308.06833	16.4
309.07529	21.2
313.07117	4.8
317.08221	4.4
319.05945	8.5
320.06918	8.1
321.03870	3.9
321.07605	52.8
322.08353	8.1
323.05542	3.8
323.09119	7.2
325.07062	93.7
329.08078	4.8
331.05948	3.6
333.07584	28.2
335.09167	24.9
336.06375	5.2
337.07053	68.9
345.07587	9.3
347.09106	14.8
349.03076	5.0
349.07108	63.5
351.08633	29.4
355.07980	11.5
359.09357	3.5
361.07013	37.2
361.11111	2.9
363.08630	26.7
365.10150	9.0
367.08154	10.3
373.06934	12.0
375.08795	14.7
377.10394	3.5
379.08145	95.5
387.08502	8.2
389.10388	6.4
391.08099	53.2
393.09607	3.3
397.09201	37.1
399.08578	4.6
401.10065	5.8
403.08075	24.2
405.09683	7.3
409.09216	50.1
415.10129	14.2
417.09741	4.2
419.11264	5.7
421.09262	15.3
427.10364	51.8
433.09338	23.0
439.10333	11.3
445.09631	17.4
451.10242	19.4
455.27646	2.9
457.11298	22.7
463.10147	7.1
469.11325	30.0
475.10333	13.4
481.11243	28.5
493.11304	26.0
499.12408	26.6
511.12488	41.5
529.13470	33.3
547.14557	12.6
565.15845	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	565.1555
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.00059	0.2
51.64140	0.2
53.03933	0.3
55.01863	0.3
57.03436	0.3
59.03797	0.2
61.02915	0.3
67.01865	0.6
67.05485	0.2
68.99789	0.7
69.03421	1.4
71.04980	0.7
73.02895	0.4
79.05473	0.2
81.03416	1.4
81.07069	0.2
82.69464	0.2
85.02504	0.2
85.02912	2.3
87.00792	0.5
89.03963	0.3
89.06010	0.6
91.03961	0.2
91.05457	0.3
91.18824	0.2
92.02655	0.2
95.04955	0.3
97.02888	1.1
98.20767	0.4
99.04459	0.4
105.01859	0.5
105.07038	0.2
107.04951	0.3
109.02882	1.1
111.04415	0.2
117.03371	0.4
119.04957	0.6
121.02846	0.8
127.03921	1.5
129.01834	0.3
129.89357	0.2
131.04958	0.2
135.04399	1.8
137.02344	0.7
137.05992	0.4
143.05618	0.8
145.02850	0.6
145.04930	0.6
145.06569	0.3
147.04393	0.3
151.03954	0.2
153.01828	5.3
159.02922	0.5
161.02336	0.6
161.05991	0.3
167.07031	1.0
171.02870	1.3
175.03838	0.2
177.05458	1.5
179.03415	0.3
201.05423	0.5
203.03421	0.2
207.06535	0.7
213.05641	0.2
217.04869	0.2
228.04089	0.2
229.04955	0.4
241.05014	0.8
245.04526	0.3
246.05128	0.3
250.05853	0.2
257.04373	0.4
269.04477	0.5
271.06009	9.1
273.04034	0.4
274.04709	0.6
283.06009	0.6
284.06696	0.3
285.03909	0.4
287.05496	100.0
288.05765	1.2
295.06039	0.6
299.05609	0.2
302.04248	1.5
303.04810	0.4
304.89249	0.2
307.06250	0.3
313.07117	1.1
317.06564	15.9
318.06863	0.3
325.07077	0.5
337.06940	0.4
349.07059	0.3
379.08282	0.4
391.08008	0.3
397.09171	0.4
409.09174	0.3
415.10437	0.3
427.10522	0.4
433.11261	0.6
511.12567	0.4
565.15314	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1552
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
52.03889	0.1
57.03836	0.1
61.38512	0.1
67.01844	0.6
67.41908	0.1
68.99804	0.4
69.03430	0.4
71.04978	0.2
71.11843	0.1
71.12173	0.3
81.03419	0.2
85.02898	0.3
89.03877	0.2
89.06019	0.6
91.05511	0.1
97.02882	0.5
107.04926	0.1
109.02888	0.3
117.03378	0.3
119.04902	0.2
121.02865	0.1
127.03908	0.3
127.95176	0.1
129.01805	0.1
135.04411	1.5
137.02299	0.6
137.06001	0.2
145.02858	0.2
145.04941	0.5
147.04327	0.2
153.01817	4.5
161.02344	0.7
167.06967	0.3
171.02908	0.9
176.11020	0.1
177.05438	0.2
179.03381	0.5
203.03450	0.1
213.05360	0.2
217.04921	0.2
218.90950	0.1
219.06487	0.2
241.04938	0.7
245.04482	0.3
269.04370	0.5
271.05981	2.1
286.04504	0.1
287.05478	100.0
288.05771	1.9
295.05945	0.2
302.04068	0.2
307.05942	0.2
317.06516	0.6
368.28711	0.1
449.10974	0.2
552.08746	0.1
565.15399	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	565.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.9
60.47089	2.2
70.47259	6.4
85.02892	5.5
91.05485	2.9
107.04986	2.6
119.04173	2.7
119.04892	12.5
121.02863	38.0
124.24765	2.1
129.93930	2.9
145.02821	5.9
163.03870	4.1
177.01802	2.7
179.03369	4.0
189.01826	6.5
191.03418	6.9
195.02847	9.5
201.01903	2.9
203.03427	15.8
207.02907	11.2
215.03395	4.5
217.04892	5.3
219.02859	4.6
221.04425	7.0
233.04422	3.1
237.63100	2.6
241.05106	2.7
245.04541	2.7
253.04939	3.3
255.02789	3.2
257.04279	3.7
267.06436	5.8
268.07233	2.8
273.03876	3.0
279.06467	5.6
281.08032	6.4
283.05939	9.9
293.08151	3.4
294.05331	20.4
295.06006	99.6
296.06659	6.0
297.07480	5.5
305.08026	2.8
307.05988	60.9
307.09442	4.7
308.06796	19.7
309.07504	20.8
313.07031	4.9
317.08145	4.2
319.05911	8.5
320.06876	7.0
321.07587	46.7
322.08331	7.4
323.09125	9.0
325.07077	80.7
333.07568	21.1
334.08563	3.3
335.05661	3.4
335.09186	16.4
336.06213	3.8
337.07028	60.5
339.08658	5.9
345.07529	4.2
347.08951	11.5
349.07028	53.2
350.07574	3.5
351.08612	25.6
355.08188	11.4
357.07587	3.2
359.09186	4.5
361.06949	26.6
363.08612	15.0
365.10211	10.1
367.08081	9.4
371.09161	3.5
373.06870	5.5
374.07550	2.7
375.08844	14.0
377.10217	3.9
379.08099	100.0
385.06821	3.4
387.08664	4.3
389.10132	4.1
391.08099	41.8
397.09229	66.1
401.10266	4.4
403.08200	20.2
405.09677	8.7
407.07486	2.7
409.09119	57.9
409.14362	4.7
415.10245	18.8
417.09695	5.1
419.11298	3.8
421.09195	16.4
427.10321	49.1
429.09525	4.7
433.09344	20.0
439.10367	18.0
445.11279	35.6
451.10196	32.3
457.11197	30.8
463.10123	8.6
469.11334	50.0
475.10312	16.6
481.11298	35.4
493.11288	35.2
499.12170	28.9
511.12375	56.1
529.13348	44.7
547.14508	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	565.1187
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03947	1.4
55.01875	1.2
57.03421	0.8
60.73548	0.2
61.02921	0.9
65.03957	0.2
68.28500	0.2
68.99783	0.7
69.03080	0.3
69.03432	5.0
71.04988	0.4
71.60622	0.2
71.61009	0.2
73.02920	1.2
81.03419	5.7
85.02906	8.1
87.00830	3.8
91.03945	0.3
92.02609	0.7
93.03382	0.9
97.02892	2.7
97.17189	0.2
99.04447	1.5
105.01864	2.2
109.02879	5.0
111.00818	0.3
117.01834	0.6
117.57297	0.2
121.02888	1.1
126.03159	0.3
127.03917	6.0
129.01837	0.6
135.04388	0.5
137.02353	0.4
145.04955	1.9
146.63162	0.2
147.02905	0.3
147.04382	0.2
151.03854	0.5
153.01831	7.1
159.02895	3.3
163.03870	0.4
165.01826	0.7
173.06015	0.2
177.04076	0.2
177.05510	0.7
187.33569	0.2
188.87930	0.2
201.05516	0.8
203.03389	0.3
210.14955	0.2
213.03882	0.3
217.05078	0.9
218.05785	0.3
228.04190	1.0
229.04919	2.0
231.04987	0.6
245.02170	0.2
245.04359	1.0
246.05232	1.6
257.04474	1.9
260.03128	0.4
261.07376	0.4
271.06046	1.2
273.03897	1.8
274.04749	3.4
284.03125	0.4
285.03964	2.2
286.04834	0.3
287.05496	16.4
288.06006	0.3
299.05835	0.2
302.04202	11.3
317.06558	100.0
318.06979	1.1
359.07632	0.3
383.08282	0.2
404.26782	0.2
412.99338	0.2
511.89194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02344	2.8
53.03941	5.5
55.01875	14.8
55.05513	26.7
57.03432	21.6
61.02931	4.7
67.05502	74.1
69.03439	14.0
69.07071	31.6
69.33855	23.7
69.34267	6.9
71.04985	7.0
73.02888	4.3
79.05495	47.9
79.77850	2.8
81.03423	14.8
81.07055	85.0
83.04966	12.6
83.08611	19.0
85.02908	11.9
91.03988	4.6
91.05482	41.3
93.07050	52.1
95.04964	18.0
95.08608	32.6
97.02893	7.4
97.06539	23.7
97.10176	8.1
98.20747	6.0
99.04453	3.7
99.08141	4.3
101.00151	3.1
105.07037	36.9
105.19444	3.0
107.04956	8.7
107.08595	41.2
109.06540	4.8
109.10150	11.8
111.08058	7.9
117.07014	18.4
119.08584	25.5
121.06485	4.9
121.10133	21.3
121.23238	3.7
123.11724	4.0
125.09632	7.4
127.03887	7.4
129.06989	5.5
131.08582	20.4
133.06430	3.1
133.10139	30.7
135.08070	3.9
135.11673	23.5
139.15971	3.1
143.08559	3.8
145.10100	17.7
147.11694	13.1
149.09590	16.6
149.13263	13.9
157.10121	4.2
159.11707	32.7
161.13249	5.3
163.11166	13.6
165.12708	3.5
167.07068	3.7
167.08514	3.0
167.68887	3.3
169.10147	2.9
173.13301	11.1
175.11221	3.9
177.12737	32.0
179.14302	12.9
181.12242	4.3
195.13774	10.2
207.06499	5.1
227.12810	4.5
229.14343	4.0
239.17897	3.7
251.16370	8.3
255.15932	61.3
257.19003	13.6
260.35977	3.0
267.16058	4.0
269.17490	100.0
275.20038	38.3
289.82663	3.1
293.21082	3.1
299.76410	3.2
314.00882	3.2
349.23724	74.2
367.24844	28.8
511.28616	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	564.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.9
55.05515	34.6
57.03437	19.2
58.50091	4.6
61.02920	11.5
65.03951	7.1
67.05501	73.5
67.44362	5.0
69.03414	20.9
69.07069	26.0
70.99063	7.0
70.99415	10.2
71.10661	5.0
73.02921	5.3
74.01967	4.5
79.05492	61.8
81.03416	17.6
81.07061	86.9
83.04987	16.2
83.08620	20.0
84.15070	4.9
85.02917	20.9
85.06528	10.1
91.05482	81.1
93.07049	62.5
95.04962	17.3
95.08601	43.0
97.02884	10.4
97.06546	17.2
97.10168	19.2
99.04446	7.4
99.08099	8.1
103.05441	7.8
105.07028	47.9
107.04922	8.5
107.08591	62.4
109.02895	12.6
109.06541	8.2
109.10167	22.9
111.08092	11.2
115.05457	5.3
117.07048	23.1
117.57707	7.2
117.77232	5.0
118.06548	5.7
119.04954	6.6
119.08582	52.5
119.63367	5.4
121.06499	6.6
121.10125	26.4
123.04435	5.2
123.11723	10.6
125.09638	14.6
127.03946	8.4
129.07069	10.5
131.08578	30.9
133.06490	6.8
133.10117	33.4
135.08083	10.5
135.11717	21.4
137.05992	12.3
137.09708	8.2
143.05630	8.6
143.08569	11.8
145.10115	29.3
147.04358	7.3
147.11722	22.5
149.06030	7.7
149.09628	9.1
149.13239	13.6
157.10083	10.9
159.11682	29.3
161.13274	7.4
163.11198	10.8
167.07048	16.8
167.83667	5.1
171.11671	7.6
173.13260	12.6
175.03966	7.2
177.05487	12.1
177.12747	10.7
181.12137	5.5
185.13275	8.5
189.11171	8.4
195.13795	7.3
197.13235	7.7
207.06526	19.3
208.06885	8.7
217.15924	7.4
227.12799	15.7
239.17798	11.6
245.13783	7.8
255.15892	52.5
257.19025	31.5
268.03561	6.8
269.17480	55.0
271.05875	6.4
275.20129	61.7
283.06152	6.8
298.07971	6.6
318.16959	19.2
349.23746	100.0
351.74048	5.3
367.24863	32.9
546.30817	12.1
564.31830	19.0
590.37378	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.6
55.05502	16.3
57.03434	10.9
58.56286	4.9
61.02932	7.6
67.05508	49.8
69.07069	21.4
69.87324	22.6
71.04955	5.0
79.05484	33.0
81.03407	10.1
81.07057	50.9
83.04999	11.0
83.08600	11.2
84.70159	4.3
91.05472	32.9
93.07050	48.7
95.04947	6.8
95.08603	18.2
97.06521	16.5
97.10231	4.7
99.08109	5.0
101.51533	5.2
105.00755	4.2
105.07027	19.8
107.04922	4.8
107.08571	27.3
109.06521	8.4
109.10143	9.0
111.08042	5.0
112.62589	4.6
117.07027	10.8
119.08569	15.9
121.10178	14.8
131.08557	11.4
133.10133	16.5
135.11679	24.9
145.10153	9.0
147.64220	4.5
149.09686	7.7
149.13251	17.1
157.10107	5.7
159.11687	20.9
163.11217	5.5
166.20328	5.2
173.13284	5.9
177.05504	7.7
177.12750	19.2
179.14275	8.6
192.31480	4.3
195.13831	6.6
196.68491	4.9
236.44742	4.6
239.18010	5.3
255.15857	39.1
257.18900	6.4
269.17490	100.0
275.19925	9.6
349.23657	33.1
367.24863	11.5
564.31995	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	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	8.1
55.01865	9.2
55.05503	32.7
57.03428	23.4
61.02919	18.3
65.48321	7.7
67.05505	87.5
69.03426	18.3
69.07063	35.3
70.67271	8.5
71.04959	8.9
71.60444	11.1
71.60833	12.2
72.00830	6.6
73.02908	12.0
79.05490	81.1
79.79697	6.7
81.03409	27.1
81.07052	100.0
82.07362	7.4
83.04958	16.5
83.08585	23.9
85.02866	17.7
89.06084	7.3
91.03945	10.3
91.05477	91.2
93.07047	85.3
95.04955	28.1
95.08605	48.0
97.02898	13.0
97.06527	32.7
99.08108	9.7
105.07027	75.4
107.04978	11.0
107.08572	52.4
109.06493	10.1
109.10135	27.9
117.07023	21.3
119.08577	48.6
121.06512	10.9
121.10157	47.7
123.08006	13.0
125.09651	7.9
129.05455	8.1
129.06973	15.3
131.08560	40.0
133.10121	61.4
135.11691	28.6
136.02750	7.0
145.10118	24.9
147.11710	38.8
149.09624	20.1
149.13239	31.8
151.11110	7.4
156.43640	8.1
157.10165	13.4
159.11734	20.8
161.13249	25.6
163.11108	10.2
171.11682	14.7
173.13237	13.6
175.14810	9.6
177.12794	9.5
199.14719	9.3
241.19473	11.9
259.20569	40.6
269.17490	62.2
275.19958	17.3
349.23746	9.1
351.25339	56.9
490.26434	7.2
508.12915	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22015	3.6
53.03942	7.6
54.57469	3.9
55.01883	9.0
55.05510	29.7
57.03429	25.4
61.02925	18.3
67.05501	75.6
68.20169	3.7
69.03429	12.5
69.07072	32.1
69.42952	36.4
71.04973	6.7
73.02898	4.7
75.00729	3.5
76.14336	3.5
79.05061	7.2
79.05490	87.7
80.01077	3.9
81.03428	8.6
81.07061	96.6
83.04982	19.8
83.08604	16.6
85.02885	19.0
85.06538	9.2
91.03944	6.5
91.05482	67.3
93.07043	100.0
95.04967	16.4
95.08598	40.5
97.02908	19.9
97.06519	14.2
97.10180	4.5
99.04469	4.8
99.08048	8.9
105.07038	60.4
107.04930	12.1
107.08594	60.8
109.06499	7.2
109.10166	17.7
111.08093	6.7
117.06994	27.9
119.08578	49.3
121.10155	42.2
123.08108	4.3
125.09648	4.3
127.03875	7.5
129.06975	13.4
131.08566	27.0
133.10138	46.2
135.11693	38.4
143.08530	12.0
145.10098	18.3
147.11705	31.7
149.09563	12.0
149.13266	30.2
157.10103	9.4
159.11707	31.4
161.13260	19.9
163.11227	6.4
163.14861	5.9
171.11688	8.1
173.13306	8.0
175.14795	7.2
177.12759	12.8
185.13237	7.4
195.13799	8.1
199.14941	5.1
231.21094	6.3
241.19466	13.8
259.20605	44.4
269.17505	67.3
275.20178	13.0
277.21759	8.8
333.24274	6.8
341.96585	3.9
349.23846	7.3
351.25256	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.7
55.01865	7.7
55.05499	24.2
56.96577	7.1
57.03427	25.9
57.07069	5.7
58.37154	5.9
64.52188	6.2
66.86814	5.6
67.05505	55.2
69.03410	14.6
69.07059	25.0
70.99966	8.3
71.00330	13.7
71.05004	7.3
79.05487	43.6
81.03399	20.2
81.07050	61.7
83.04976	14.6
83.08614	13.1
85.02884	24.6
91.05475	81.7
93.07036	58.4
95.04977	15.1
95.08601	32.6
97.02895	11.2
97.06518	9.0
97.10158	9.3
99.08080	9.1
105.07025	58.3
107.04927	11.1
107.08582	36.6
109.02869	17.1
109.06535	11.7
109.10158	19.9
111.08078	7.6
117.07027	31.2
119.04907	8.9
119.08566	47.9
120.05496	6.0
120.08061	6.3
121.10134	17.9
122.06006	6.3
123.11710	8.2
124.83312	5.8
129.07001	13.7
131.08553	31.5
133.10129	28.8
135.08061	10.0
135.11624	15.4
137.05974	17.2
143.08560	13.3
145.02847	8.2
145.10123	39.9
147.04402	15.7
147.11673	18.8
149.13310	8.7
155.08635	6.4
157.10162	12.8
159.11699	31.0
161.13274	8.9
163.11136	10.6
167.07045	17.7
169.10039	10.8
171.11646	13.6
173.13286	17.7
175.03896	12.4
175.11148	7.7
176.04228	6.7
177.05452	15.0
183.11736	7.6
185.13260	35.0
189.05486	7.6
191.07080	7.2
197.13309	10.0
207.06528	22.1
208.06859	9.5
239.17966	19.3
244.16899	6.5
257.18970	37.3
269.17447	10.2
271.06024	9.9
275.20078	44.7
283.06058	6.8
287.05475	11.0
295.05945	9.6
300.15829	8.1
318.16873	14.1
349.23749	100.0
391.25400	7.0
546.30841	10.7
564.31909	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	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01865	4.0
55.05513	20.9
57.03438	10.3
57.07072	2.2
62.69687	1.3
65.03938	3.2
67.05505	61.5
69.03416	2.1
69.07076	20.6
71.04980	5.9
79.05496	40.4
80.05796	1.4
81.03410	3.2
81.07059	100.0
82.07366	2.2
83.04979	4.6
83.08616	11.8
85.06531	3.6
91.04907	1.8
91.05478	35.1
93.07047	49.8
95.04977	8.5
95.08612	59.7
97.06512	7.6
97.10161	4.9
99.08081	3.2
101.74502	1.3
101.78696	1.4
105.06395	2.7
105.07038	35.3
107.08605	32.4
109.06533	7.1
109.10165	21.8
111.08054	2.1
117.06984	8.3
119.07814	2.9
119.08588	32.8
121.10139	33.4
122.10380	1.5
123.08073	4.3
123.11724	22.5
125.09632	2.2
127.07532	1.5
129.07019	4.3
131.08559	14.7
133.10126	16.7
134.58662	1.4
135.11699	15.0
137.13239	4.3
139.11197	1.9
143.08556	4.4
145.10133	11.9
147.11688	39.7
149.09622	3.3
149.13257	10.6
153.12686	2.2
155.08536	2.3
157.10136	6.1
158.10986	1.9
159.11742	7.9
161.13269	5.0
163.11160	3.1
163.14833	4.4
165.12772	15.7
167.78870	1.9
171.11716	3.5
173.13200	5.2
175.11169	3.6
175.14844	2.9
183.11697	1.7
183.13792	3.0
185.13255	2.1
187.14798	5.1
191.14378	2.2
193.12268	2.0
201.16356	1.7
227.12695	2.8
229.14354	6.3
243.21153	7.1
261.22171	26.9
267.15912	31.1
275.20129	1.6
277.21771	2.1
279.23218	3.6
285.16931	24.9
317.24835	7.6
335.25803	40.3
394.11334	1.5
435.32434	1.8
453.33356	3.5
471.34491	4.6
527.37109	6.5
545.38287	27.9
563.39423	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01857	9.5
55.05512	39.1
57.03427	9.0
57.07067	5.8
65.03933	4.6
67.05505	100.0
69.03410	6.8
69.07069	17.3
70.20682	5.4
70.21095	6.9
71.04970	8.8
77.11258	2.5
77.43968	3.1
79.05064	4.3
79.05489	55.5
80.47019	2.1
81.03420	14.6
81.07055	91.0
83.04990	15.0
83.08613	23.8
85.02901	4.7
85.06527	7.7
91.05484	52.8
92.05819	3.8
93.06484	4.1
93.07040	60.0
94.07372	2.6
95.04977	15.2
95.08608	58.3
97.06535	14.3
97.10127	12.5
99.08102	3.6
105.07028	44.5
107.04971	5.6
107.08587	35.7
108.08891	2.5
109.06493	8.4
109.10159	38.5
111.04410	6.1
111.08078	9.0
114.58109	2.2
115.05473	5.4
116.57259	2.4
117.07023	17.7
119.08575	46.4
121.06487	4.8
121.10142	28.8
122.10498	2.5
123.08071	9.3
123.11707	14.6
123.42226	2.4
125.09616	12.0
128.06212	3.1
129.07021	12.0
131.08575	30.5
132.08929	2.6
133.06479	2.3
133.10139	40.9
135.08083	4.3
135.11685	20.9
137.09650	5.3
139.11113	3.1
141.06944	3.4
142.07777	4.8
143.08495	11.6
145.10126	27.1
147.08064	2.8
147.11711	22.6
149.09604	8.3
149.13240	9.7
151.11198	5.9
153.12727	5.1
155.08540	6.3
157.10147	15.3
159.11678	20.4
161.09590	2.6
161.13261	11.0
163.11205	6.4
165.12891	2.9
167.08513	2.6
169.10109	10.1
171.11652	11.4
173.11896	3.5
173.13255	14.4
175.11182	4.6
175.14822	5.8
179.10767	3.5
181.10162	2.6
181.12225	5.3
183.11668	6.7
185.13252	11.6
187.14801	8.9
189.11241	7.9
191.10698	3.3
193.12204	12.7
195.11772	4.3
195.13765	2.8
197.13243	5.9
199.14850	4.7
206.10973	2.9
207.11725	4.9
209.13379	3.0
211.13248	19.5
211.14967	3.8
222.44571	2.3
223.14922	3.7
223.16997	2.9
227.12787	8.5
229.14325	4.0
261.22180	9.5
267.15750	4.6
279.23227	3.2
283.15179	3.7
285.16898	11.2
285.22083	3.2
299.23947	2.6
301.21854	3.5
301.25378	4.5
303.23087	7.6
317.24738	3.8
335.25803	15.1
417.30853	2.8
435.32529	9.4
453.33905	11.2
471.34720	8.8
473.32819	4.0
487.34109	4.0
489.35776	3.6
527.30139	2.7
527.37402	29.2
545.38275	65.5
563.39209	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.7
55.01857	9.5
55.05512	39.1
57.03427	9.0
57.07067	5.8
65.03933	4.6
67.05505	100.0
69.03410	6.8
69.07069	17.3
70.20682	5.4
70.21095	6.9
71.04970	8.8
77.11258	2.5
77.43968	3.1
79.05064	4.3
79.05489	55.5
80.47019	2.1
81.03420	14.6
81.07055	91.0
83.04990	15.0
83.08613	23.8
85.02901	4.7
85.06527	7.7
91.05484	52.8
92.05819	3.8
93.06484	4.1
93.07040	60.0
94.07372	2.6
95.04977	15.2
95.08608	58.3
97.06535	14.3
97.10127	12.5
99.08102	3.6
105.07028	44.5
107.04971	5.6
107.08587	35.7
108.08891	2.5
109.06493	8.4
109.10159	38.5
111.04410	6.1
111.08078	9.0
114.58109	2.2
115.05473	5.4
116.57259	2.4
117.07023	17.7
119.08575	46.4
121.06487	4.8
121.10142	28.8
122.10498	2.5
123.08071	9.3
123.11707	14.6
123.42226	2.4
125.09616	12.0
128.06212	3.1
129.07021	12.0
131.08575	30.5
132.08929	2.6
133.06479	2.3
133.10139	40.9
135.08083	4.3
135.11685	20.9
137.09650	5.3
139.11113	3.1
141.06944	3.4
142.07777	4.8
143.08495	11.6
145.10126	27.1
147.08064	2.8
147.11711	22.6
149.09604	8.3
149.13240	9.7
151.11198	5.9
153.12727	5.1
155.08540	6.3
157.10147	15.3
159.11678	20.4
161.09590	2.6
161.13261	11.0
163.11205	6.4
165.12891	2.9
167.08513	2.6
169.10109	10.1
171.11652	11.4
173.11896	3.5
173.13255	14.4
175.11182	4.6
175.14822	5.8
179.10767	3.5
181.10162	2.6
181.12225	5.3
183.11668	6.7
185.13252	11.6
187.14801	8.9
189.11241	7.9
191.10698	3.3
193.12204	12.7
195.11772	4.3
195.13765	2.8
197.13243	5.9
199.14850	4.7
206.10973	2.9
207.11725	4.9
209.13379	3.0
211.13248	19.5
211.14967	3.8
222.44571	2.3
223.14922	3.7
223.16997	2.9
227.12787	8.5
229.14325	4.0
261.22180	9.5
267.15750	4.6
279.23227	3.2
283.15179	3.7
285.16898	11.2
285.22083	3.2
299.23947	2.6
301.21854	3.5
301.25378	4.5
303.23087	7.6
317.24738	3.8
335.25803	15.1
417.30853	2.8
435.32529	9.4
453.33905	11.2
471.34720	8.8
473.32819	4.0
487.34109	4.0
489.35776	3.6
527.30139	2.7
527.37402	29.2
545.38275	65.5
563.39209	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1761
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
53.03940	0.1
55.05499	0.2
57.03435	0.6
61.56278	0.1
67.01855	0.4
68.99789	0.2
69.03416	0.3
69.03781	0.1
70.79526	0.1
70.86429	0.3
71.01329	0.1
71.04992	3.8
72.08144	0.2
73.02896	0.1
73.25259	0.1
77.24653	0.1
79.05505	0.1
81.03411	0.2
81.07013	0.1
83.04977	0.1
85.02905	4.3
85.34745	0.1
87.04467	0.1
91.05482	0.2
97.02857	0.1
97.92056	0.1
103.05455	0.5
105.03400	0.2
105.06992	0.1
107.04960	0.1
109.02843	0.2
110.55122	0.1
121.06362	0.1
129.03340	0.5
129.05486	1.2
131.77969	0.1
137.05939	0.1
143.05637	0.1
145.02849	0.2
147.04398	0.5
153.01826	2.1
163.03947	0.2
167.07042	0.3
171.02832	0.3
177.05496	0.2
187.07565	0.3
207.06503	0.3
209.05940	0.4
231.06462	0.2
242.97548	0.1
255.06511	100.0
256.06851	1.1
315.08701	0.2
383.11224	0.3
392.21747	0.1
401.12204	0.3
417.11792	10.7
418.12158	0.2
488.85547	0.1
563.31799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1762
Annotation	Genistein 4',7-di-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
53.03918	0.1
55.05487	0.2
57.03415	0.1
60.45087	0.1
67.01866	0.7
68.99781	0.4
69.03394	0.3
71.04990	0.8
73.02885	0.1
75.38415	0.1
81.03361	0.2
81.07005	0.1
83.04996	0.4
85.02902	1.4
91.05464	0.6
93.07047	0.1
95.04932	0.2
95.08469	0.1
97.02850	0.1
98.20787	0.2
103.05447	0.2
105.07031	0.1
107.08455	0.1
109.02822	0.1
111.00816	0.1
111.04427	0.2
119.04943	2.0
121.02876	0.7
123.04388	0.1
125.05975	0.1
127.03903	0.1
129.01834	0.2
129.05420	0.4
131.41763	0.1
137.05936	0.1
139.12053	0.1
140.52528	0.1
143.05612	0.2
145.02834	0.8
147.04327	0.2
147.36739	0.1
151.03728	0.1
153.01826	4.8
161.05920	0.1
163.03912	0.6
163.07465	0.1
167.07002	0.3
169.06287	0.1
171.02898	1.1
175.03807	0.1
177.05493	0.5
181.04942	0.1
187.03918	0.1
187.07619	0.1
203.07042	0.2
207.06532	0.3
209.06190	0.1
215.07133	0.1
225.05446	0.4
229.05002	0.3
243.06448	0.3
253.04907	0.2
255.06519	17.9
256.06882	0.3
270.05096	0.1
271.06003	100.0
272.06351	1.2
285.07669	0.2
287.05493	0.1
315.08670	0.2
325.07083	0.2
381.09689	0.1
383.11353	0.4
401.12292	0.3
417.11740	0.3
518.23236	0.1
563.18079	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	563.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33638	0.2
57.03428	0.2
61.65687	0.2
65.30158	0.2
68.99798	0.3
69.03442	0.2
70.06572	0.7
71.04997	0.5
75.58668	0.2
76.88919	0.2
79.05490	0.2
81.03410	0.4
84.08133	0.2
85.02915	1.3
110.55898	0.2
119.04926	0.2
120.08120	0.3
121.02888	0.5
127.03965	0.3
134.03642	0.2
143.05652	0.8
145.02870	0.4
157.06474	1.2
167.03375	0.9
167.07022	0.7
171.04446	1.4
177.05531	0.6
181.06480	0.4
184.03661	0.7
185.05862	0.2
187.07523	0.2
192.07787	0.4
207.06586	0.3
213.05515	1.0
227.06985	1.3
240.04205	0.3
243.06517	0.5
244.07335	0.5
254.05704	0.3
255.06523	100.0
256.06891	1.4
271.05984	0.6
272.06641	0.4
283.06000	0.9
285.04053	0.3
285.07474	0.2
287.05508	0.4
297.07526	0.3
298.04147	0.3
299.05490	1.1
300.06305	4.6
315.08630	20.6
316.09021	0.4
321.07431	0.3
329.06436	0.2
401.12073	0.3
402.12488	0.2
563.14191	0.3
563.34058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1755
Annotation	Chrysin 7-rutinoside
Peak:m/z	Relative Intensity
55.74577	0.1
57.03436	0.2
61.76927	0.2
66.39893	0.1
67.05495	0.3
67.28244	0.2
68.99791	0.4
69.03415	0.3
70.06590	0.3
71.04971	0.5
71.61115	0.2
73.54544	0.1
81.03416	0.3
81.07042	0.1
84.04530	0.1
84.08122	0.2
85.02897	0.9
91.05495	0.2
93.07026	0.2
95.04967	0.3
97.02905	0.3
118.51446	0.1
119.04951	0.2
120.08138	0.2
121.02876	0.2
131.05022	0.2
131.08565	0.1
133.02827	0.1
134.03743	0.2
143.05667	0.8
153.01863	0.2
157.06476	0.9
163.03909	0.2
164.03098	0.2
167.03389	0.5
167.07031	0.6
171.04398	1.0
177.05487	0.4
181.06529	0.4
184.03668	0.2
185.05865	0.3
192.07834	0.4
207.06448	0.1
213.05452	0.8
226.06328	0.2
227.07001	0.9
229.05084	0.2
240.04349	0.2
243.06596	0.3
244.07259	0.3
254.05840	0.4
255.06516	100.0
256.06805	1.2
259.09427	0.2
271.05994	0.7
272.06610	0.3
283.06049	0.6
285.04269	0.2
297.07352	0.2
299.05453	0.4
300.06271	2.9
315.08621	14.4
316.08908	0.4
325.07153	0.2
354.99225	0.2
358.13843	0.2
383.11255	0.2
417.11768	0.2
541.95032	0.2
563.23120	0.3
563.33197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34207	0.3
53.03936	0.6
55.01860	0.5
55.05501	0.7
57.03424	0.5
60.48082	0.3
61.02910	0.4
65.03936	0.4
67.05477	1.2
68.02633	0.3
68.99796	0.6
69.03433	2.0
69.07063	0.8
69.17985	0.3
70.06600	0.5
71.04995	0.4
71.06026	0.5
71.06387	0.8
73.02914	0.5
74.84769	0.3
79.05455	0.8
81.03413	2.3
81.07037	1.3
83.08584	0.4
84.08109	0.4
85.02895	3.2
87.00844	0.6
91.05472	2.5
93.07023	1.3
95.04956	1.1
95.08614	0.7
97.02895	1.8
97.06548	0.6
99.04457	0.5
103.05441	0.6
105.03411	0.4
105.07018	1.4
107.04930	0.9
107.08557	0.7
109.02872	2.8
109.06517	0.4
109.10166	0.4
117.07067	0.4
119.04911	1.4
119.08573	0.8
121.06493	0.6
121.10138	0.8
123.04386	1.1
125.05977	0.4
125.82946	0.3
127.03909	2.1
131.04922	0.6
131.08517	0.5
133.10114	0.4
135.04413	1.0
137.05975	0.8
137.09506	0.5
143.05699	0.9
145.02898	0.7
147.04399	1.3
147.11687	0.5
149.05945	0.5
149.09595	0.7
151.03879	0.4
151.07639	0.4
153.01805	0.9
153.05467	9.5
161.05934	0.8
163.03862	1.0
164.04684	0.5
167.07068	2.6
175.03940	1.2
175.14752	0.5
177.05446	2.8
179.07042	0.5
180.07896	0.3
181.04990	0.7
181.08536	0.5
183.04391	0.5
185.05977	0.5
189.05444	0.8
191.03447	0.4
191.06999	1.3
192.07802	1.1
193.05005	1.1
193.08586	0.9
201.05525	0.7
203.06934	0.4
205.04982	0.5
207.06516	3.4
215.03418	3.0
216.04324	0.5
219.06599	0.4
223.03880	0.4
225.05382	0.4
226.06192	0.5
227.07082	1.1
229.04962	1.3
230.05774	0.6
231.06602	2.1
240.07762	0.8
254.05727	1.0
255.06468	1.6
257.04443	4.1
258.05219	3.3
267.15906	0.8
268.07422	1.1
269.04456	0.8
271.05997	0.7
272.06747	1.2
282.05164	0.6
283.06140	2.2
284.06470	0.5
285.03961	7.9
285.07187	0.7
286.04688	7.9
287.05508	11.9
287.08789	0.8
296.06689	0.6
297.07556	0.7
299.05490	12.8
300.06281	34.8
301.07059	23.0
313.07077	1.3
314.04126	0.5
314.07666	0.7
315.08615	100.0
316.09140	1.5
320.27567	0.4
325.07013	0.5
329.06522	1.7
329.10037	0.8
339.08624	0.6
351.08640	0.4
357.09561	2.7
365.10321	0.6
368.08963	0.7
383.11237	16.2
401.12207	1.8
402.25574	0.4
477.13901	6.8
477.29041	0.4
494.31305	0.5
519.14960	7.7
545.16431	1.2
562.33405	1.0
563.13855	25.8
563.23633	0.9
563.34149	1.4
564.14185	0.5
565.64160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26935	0.6
53.03957	0.7
55.01866	0.9
55.05505	1.0
57.03427	1.1
61.02917	1.2
65.03930	0.9
67.05482	2.2
68.99789	1.0
69.03432	4.8
69.07070	1.8
69.39937	6.2
70.06592	1.5
71.04979	1.0
71.44151	0.6
73.02921	0.9
79.05497	2.8
81.03425	5.2
81.07061	3.0
84.08141	1.3
85.02911	3.7
85.06565	1.1
86.09690	1.5
91.05487	3.9
92.72741	0.6
93.07028	1.6
95.04952	2.0
95.08604	1.5
95.22596	0.7
95.31575	0.5
97.02885	2.6
97.06546	1.7
98.20770	1.4
99.04430	0.7
103.05459	0.9
105.07048	3.1
107.04958	2.5
107.08613	1.5
109.02883	3.7
109.06506	1.5
109.10154	0.9
111.04456	0.7
115.05437	1.0
119.04930	2.7
119.08566	2.2
121.06528	0.9
121.10143	0.9
123.04454	1.3
123.08044	0.9
125.06054	0.8
127.03886	3.4
129.07028	1.1
131.04959	1.9
131.08527	1.5
132.05693	0.9
133.06499	1.0
133.10133	1.2
135.04510	0.6
135.11661	0.8
137.05949	2.4
143.05641	2.7
143.08549	0.7
145.02849	2.4
145.10185	0.7
147.04399	2.6
147.11699	0.9
149.06010	1.3
149.09598	0.8
151.03909	1.3
151.07549	1.1
151.11256	0.7
153.01884	0.9
153.05461	7.9
159.11794	0.7
160.05284	0.8
161.05981	2.2
163.03915	2.7
163.11220	0.7
165.05461	0.9
167.07027	5.9
173.09662	0.9
175.03949	3.3
175.07465	0.7
177.05481	5.7
181.04933	1.2
181.08592	0.6
184.13254	1.0
189.05515	1.5
189.12726	1.0
191.06993	1.2
192.07774	2.1
193.04971	1.0
193.08577	1.5
195.10207	0.8
201.05537	1.3
205.04990	0.7
205.08624	0.7
207.06502	6.0
215.03473	3.3
216.04155	0.8
217.04970	1.1
219.06573	0.7
229.04968	1.9
230.05792	0.7
231.06511	1.5
248.08183	0.7
254.05791	1.2
255.06561	2.0
257.04364	4.8
258.05219	3.5
259.09882	0.9
268.07404	0.9
271.06036	0.9
272.06769	1.6
282.05368	0.8
283.05994	1.7
285.03943	8.5
286.04752	9.0
287.05496	11.3
297.07645	0.8
299.05508	12.8
300.06287	33.8
301.07062	26.4
313.07043	1.8
314.07849	0.8
315.08627	100.0
316.09088	1.1
325.07324	1.0
329.06537	1.9
329.10190	1.2
337.10812	0.8
339.08282	0.7
341.10495	1.0
351.08563	1.3
357.09720	2.8
365.10184	0.9
368.08585	0.7
375.22964	0.7
383.11246	17.9
401.11896	3.8
459.27454	0.9
460.27441	0.8
477.14093	6.2
494.30884	1.0
495.31967	1.1
501.13739	0.8
519.15057	6.0
545.16486	1.1
562.33667	2.1
563.13849	23.2
563.24335	2.2
563.34723	4.2
593.35999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
55.05514	15.8
57.03441	15.8
60.19254	2.0
63.66237	1.9
65.38802	1.6
67.05508	26.1
69.03434	4.1
69.07087	9.1
69.67774	13.1
71.04991	3.2
71.56755	1.8
79.05502	28.4
81.03423	98.8
81.07052	32.5
83.04976	13.3
83.08624	25.2
85.02917	14.6
91.05486	35.7
93.07059	17.2
95.04980	33.0
95.08625	11.9
97.02907	5.1
97.06543	4.3
97.10164	6.9
105.07034	21.8
107.04975	7.5
107.08601	12.6
109.06509	7.5
109.10155	6.4
111.04425	4.1
111.08087	9.5
115.05447	3.5
117.07022	3.7
119.08591	20.1
121.06489	2.8
121.10136	8.2
123.08049	4.7
125.09653	5.4
129.07037	13.9
131.08577	15.3
133.06496	4.0
133.10104	9.2
137.09644	2.7
142.07823	2.7
145.06488	6.1
145.10123	5.4
147.04387	2.5
147.08066	5.0
147.11687	14.0
149.09622	6.7
157.10141	15.0
165.12727	2.8
175.11180	12.4
193.12260	35.0
207.06479	1.8
211.13310	21.9
249.15027	2.4
267.15930	100.0
273.14902	5.8
285.17010	18.5
291.19754	2.3
349.21585	3.2
365.23343	6.1
367.22620	10.9
385.23764	10.5
403.24716	2.5
433.26001	8.6
441.26367	3.8
459.27484	47.3
477.28442	30.9
562.36481	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	562.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97718	1.8
51.61839	2.3
51.68440	1.9
55.01884	5.2
55.05515	16.3
56.96571	3.0
57.03442	16.0
61.02920	2.1
67.05508	36.4
68.88399	2.3
69.03430	6.4
69.07076	11.3
69.63010	4.8
69.63403	15.2
71.04997	6.8
73.02910	2.3
74.52472	2.0
79.05494	33.9
79.65185	2.3
81.03422	100.0
81.07058	35.6
83.04987	13.6
83.08624	25.4
85.02904	17.7
85.06609	5.2
91.05486	37.9
93.07045	19.8
95.04969	34.8
95.08613	16.2
97.02904	3.8
97.06517	5.2
97.10180	7.7
99.04433	2.5
105.07030	28.1
107.04968	12.1
107.08588	19.1
109.02892	2.5
109.06530	6.2
109.10171	18.0
111.08084	11.0
115.05459	2.3
117.07014	5.4
119.04897	4.3
119.08576	22.6
121.06544	5.0
121.10155	15.2
123.08061	5.0
125.09628	5.2
129.07024	14.0
131.04939	2.7
131.08572	16.6
131.92345	2.2
133.06499	8.2
133.10112	22.6
135.08057	5.2
135.11717	3.3
137.09619	3.6
142.07701	3.1
143.08647	4.8
145.06451	4.1
145.10132	6.9
147.08089	6.5
147.11714	11.8
149.09677	6.0
151.11194	6.6
155.08499	3.2
157.10126	16.5
159.08014	2.9
160.11996	2.4
161.03407	2.1
161.09645	3.9
163.11176	4.3
165.12726	3.0
167.07010	2.4
175.03931	3.2
175.11160	11.7
189.11278	2.4
193.12251	35.5
211.13292	23.6
229.14371	4.0
233.15227	2.0
238.42416	2.8
253.14342	21.6
267.15942	94.7
273.14893	5.2
273.18353	2.9
285.16968	21.6
291.19519	3.8
349.21652	2.8
365.23312	17.7
367.22726	8.3
385.23706	12.0
403.25055	3.7
433.25742	10.4
441.26468	5.4
459.27399	45.8
477.28513	35.5
562.36713	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	562.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72028	2.0
53.93386	1.8
55.01880	4.3
55.05511	15.3
57.03417	7.9
61.02917	2.1
63.14369	1.9
65.03931	2.7
67.05501	26.9
69.03421	6.4
69.07075	26.0
69.86543	9.4
71.04991	3.5
79.05486	18.7
81.03419	12.6
81.07053	24.0
81.69487	2.0
83.04942	3.3
83.08606	12.0
85.02899	5.4
91.03912	2.2
91.05482	20.9
93.07050	16.8
95.04976	11.6
95.08611	11.1
97.02878	7.4
97.06523	3.6
97.10185	11.7
105.07029	15.5
107.04926	7.6
107.08611	11.7
109.02876	6.0
109.06529	4.5
109.10165	9.8
111.04426	3.6
111.08044	2.9
116.06327	1.9
117.07019	6.0
119.04937	2.6
119.08571	13.7
120.54642	2.0
121.06450	4.3
121.10110	7.2
123.08080	3.6
125.09634	8.9
127.03923	2.7
129.06937	3.9
131.08545	9.0
133.06477	4.3
133.10144	6.0
135.08043	5.4
135.11659	5.3
137.09596	4.5
143.08562	3.1
145.10118	6.3
147.07973	6.0
147.11690	6.1
149.09644	3.5
149.13313	2.1
157.10150	4.5
159.11537	2.7
161.09575	2.7
161.13261	2.0
163.11197	4.9
167.07072	2.8
175.03911	5.5
175.11203	3.4
177.05557	2.3
178.36960	2.0
189.11179	6.9
193.12294	6.1
207.06500	9.1
211.13226	2.5
221.67668	1.9
223.13229	8.7
227.12798	8.5
245.13800	2.7
249.14832	3.7
267.15930	4.4
273.18457	14.9
283.15424	4.1
285.16986	8.7
291.19543	92.1
301.16418	2.5
307.19086	2.4
347.22058	4.8
365.23206	100.0
509.27066	2.7
517.94244	2.0
527.28546	4.2
562.37555	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	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.5
55.01858	2.4
55.05510	17.9
56.96576	2.7
57.03444	2.9
64.08028	1.8
67.05508	27.6
67.36887	2.1
69.03432	7.1
69.07077	18.7
71.04996	4.2
71.61283	2.1
73.02919	1.8
79.05504	22.3
79.40034	1.4
80.14005	1.7
81.03413	14.8
81.07061	23.8
83.04991	4.4
83.08628	10.9
85.02900	6.4
85.66098	1.6
91.03911	1.9
91.05485	20.9
93.07041	20.7
95.04988	11.2
95.08618	11.1
95.93904	1.7
97.02890	7.6
97.06533	3.2
97.10168	12.9
104.31808	1.6
105.07023	14.7
107.04945	7.4
107.08599	13.7
109.02879	3.1
109.10166	7.3
111.04432	2.0
111.08083	3.6
117.07025	7.7
119.08562	10.5
121.10157	5.8
123.08095	2.8
125.09629	11.0
129.07034	5.2
131.08604	9.1
133.06491	3.1
133.10123	7.6
134.12140	1.9
135.08026	3.9
137.09587	2.3
143.08542	3.3
145.10144	4.3
147.08029	4.4
147.11682	5.4
149.09633	2.4
151.11092	2.3
157.10201	2.7
159.11705	2.5
161.09598	2.1
163.11151	4.2
169.10097	2.1
171.11691	3.6
173.11789	2.3
175.11217	3.2
185.13167	2.6
186.49170	1.8
189.11224	3.5
193.12267	7.2
195.13824	2.2
205.12358	2.4
207.06567	1.9
208.00612	1.8
211.13081	3.7
223.13324	13.7
227.12785	7.1
249.14955	2.8
255.17566	2.1
262.18011	2.8
267.15900	9.4
273.18515	14.3
283.15411	2.1
285.16974	11.8
291.19540	100.0
334.23715	4.1
363.22430	1.9
365.23245	97.8
366.23453	2.1
384.27432	2.1
385.23782	2.2
429.92413	1.7
456.62384	2.7
459.27350	5.3
477.28467	10.6
562.37549	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	562.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01873	9.5
55.05513	15.2
57.03435	10.3
57.07081	1.3
59.04982	1.5
61.02921	3.9
64.19359	1.0
65.03952	1.5
67.05505	49.5
69.03437	5.7
69.07069	13.3
71.04979	6.8
71.61409	1.1
73.02915	1.5
79.03904	0.9
79.05058	2.0
79.05493	26.7
81.03417	15.9
81.07057	49.9
83.04983	11.9
83.08612	8.7
85.02906	4.6
85.06521	5.2
91.03950	1.2
91.05480	42.9
93.00472	1.0
93.07043	30.4
95.04975	14.2
95.08611	14.5
97.02908	3.4
97.06509	5.1
97.10173	4.3
99.08109	1.2
105.07031	37.8
107.04967	8.6
107.08594	34.3
107.09293	2.1
108.08906	1.0
109.06513	7.5
109.10157	52.7
111.04474	1.8
111.08084	4.0
113.06013	2.8
115.05473	1.2
117.07021	5.4
119.04959	1.4
119.08578	12.4
121.06520	4.9
121.10171	8.1
123.04410	1.2
123.08062	4.2
123.11694	6.9
125.09650	3.6
127.03958	1.7
127.07556	2.6
127.94405	1.0
128.06209	2.0
129.05478	1.9
129.07042	2.8
131.08571	12.5
133.06502	6.1
133.10132	58.3
134.10478	1.5
135.08051	7.1
135.11705	4.4
137.05959	1.6
137.09615	3.2
139.07516	1.3
139.11153	1.0
143.08588	4.2
145.10118	5.4
147.08034	2.4
147.11664	6.1
149.09613	7.8
151.11179	30.1
153.12706	1.2
157.10158	3.5
159.11696	2.0
161.09625	6.5
163.11183	2.4
169.12241	4.2
171.11678	2.4
173.09590	1.6
175.11186	4.5
177.09149	4.0
177.12636	1.3
179.10541	1.3
185.13208	1.5
189.12787	1.5
193.12209	5.5
197.11711	1.2
207.13892	1.1
209.11653	1.4
211.13342	4.2
215.12744	2.8
245.19057	3.8
253.14348	100.0
254.14661	1.6
263.20093	3.5
267.15915	9.5
269.13892	3.3
271.15378	13.4
273.18512	14.3
276.20364	1.2
285.17053	5.0
291.19504	16.1
347.22186	7.2
365.23230	89.2
366.23636	2.1
383.24420	2.9
385.23422	1.7
423.56476	1.1
436.13492	1.1
459.27286	3.4
477.28455	12.0
527.28571	1.9
544.36670	1.7
562.17725	1.4
562.37378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06564	0.5
59.04649	0.3
60.08163	32.2
60.08455	1.2
63.02359	0.6
69.03430	9.2
69.36919	1.0
69.37321	3.6
70.06557	1.3
79.84972	0.4
85.02876	0.6
86.06030	1.1
89.03506	0.3
89.03910	3.5
91.05431	1.5
95.04966	3.8
97.02857	1.4
99.04424	0.9
103.05429	0.7
109.02882	0.6
117.03375	12.9
119.04134	0.4
119.04947	6.5
121.02802	0.9
121.06470	0.4
123.03572	0.8
123.04427	13.8
127.03921	4.5
131.04881	0.6
134.03642	0.8
135.04375	1.2
137.05945	1.6
145.02840	49.1
146.91832	0.4
147.04410	5.7
149.05992	5.2
151.03938	0.6
157.06477	0.5
161.05946	0.4
163.03902	0.5
164.07024	1.0
165.05469	11.2
175.07567	0.7
177.05467	100.0
178.05905	1.0
189.05423	0.8
191.28154	0.4
195.06491	1.1
209.06761	0.9
215.07103	0.5
217.04968	0.5
224.09183	0.5
224.12857	2.9
231.06584	1.1
233.08116	1.0
261.07510	0.7
295.06067	2.7
307.06128	1.3
309.07605	1.2
321.10132	6.3
325.07187	1.4
333.07849	0.5
335.09286	0.8
337.07141	0.7
339.10782	15.5
347.09387	0.5
349.07178	0.9
351.08578	0.5
363.08749	2.3
375.08746	0.9
393.09790	0.5
394.13052	0.7
409.09702	0.5
410.14310	1.9
417.09668	0.9
427.10727	0.6
436.69675	0.5
448.14108	0.7
495.13281	0.8
508.16241	1.1
526.17114	4.3
544.18243	1.8
562.23041	28.6
563.23212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42800	0.3
54.48370	0.3
60.08163	33.4
63.02363	0.5
65.65958	0.4
69.03084	0.7
69.03425	10.4
69.74162	2.8
85.02865	0.5
89.03916	3.3
91.05442	1.7
95.04476	0.3
95.04974	3.7
95.19022	0.4
97.02858	0.9
98.20660	0.8
99.04465	0.5
103.05492	0.5
117.03374	12.8
119.04942	5.4
121.06482	0.6
123.03555	0.8
123.04423	12.2
127.03904	4.0
131.04889	0.6
134.03670	0.6
135.04414	1.0
137.05913	0.9
138.03932	0.4
145.02840	48.0
147.04408	4.3
149.05966	5.1
161.06029	0.4
163.03848	0.5
165.04140	0.8
165.05479	11.5
165.06851	0.7
175.03888	0.6
177.05463	100.0
178.05865	0.7
195.06607	0.9
203.07135	0.4
215.06996	0.6
224.12785	7.1
224.72235	0.5
233.07993	1.4
252.67946	0.5
261.07620	1.2
321.09732	8.2
339.06589	0.9
339.10742	21.4
562.22809	31.6
563.23328	0.9
582.95782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.1
58.06567	4.4
60.08164	27.1
61.02890	2.4
69.03433	11.6
69.95222	3.3
69.95632	8.0
70.06596	38.8
71.04967	1.9
72.08120	2.3
81.03374	3.1
83.01262	1.8
84.08112	3.3
85.02853	8.5
86.06066	16.9
86.09681	2.8
89.03886	2.9
90.05550	2.4
91.05431	8.2
93.07018	2.1
94.06540	4.3
95.04920	5.6
95.08585	2.3
96.04450	3.1
97.02853	3.0
98.20818	2.7
103.05463	1.9
105.06958	2.0
107.04899	3.1
109.02828	6.8
112.07556	3.5
117.03320	7.8
119.04961	11.8
121.02852	11.1
121.06459	3.0
123.04446	20.5
127.03831	7.6
129.06941	2.0
137.02261	2.6
137.05898	5.6
139.03839	2.6
140.07024	1.8
143.05591	5.3
145.02852	39.7
145.13800	1.8
147.04398	9.7
149.05896	4.6
151.03883	13.7
157.06468	2.6
163.03876	2.4
164.07030	15.7
165.05515	11.4
167.07016	4.4
168.03677	1.7
173.05908	3.7
175.03851	2.9
175.07449	3.6
176.07007	2.6
177.05473	93.2
188.06964	4.6
189.05086	1.9
195.02803	2.0
197.06134	1.9
200.06438	1.7
201.05305	2.4
202.10622	5.7
203.03320	4.7
203.06969	2.3
209.06747	7.9
213.08961	1.8
215.06961	2.6
217.04852	5.6
221.04436	2.7
223.07585	2.7
224.09161	15.1
224.12604	2.3
229.04861	2.7
234.11316	4.2
242.10126	1.8
243.06450	3.2
251.06956	3.5
253.04643	1.9
257.04147	2.1
267.06357	4.8
269.08047	2.3
271.05881	2.3
281.07840	1.8
283.05740	5.5
285.07242	2.7
295.02979	2.7
295.06033	33.4
297.07434	3.3
299.93524	2.0
307.06039	9.1
308.06543	2.9
309.07544	12.9
321.07297	19.0
322.08142	2.8
323.05142	2.8
323.08963	3.2
325.07043	12.0
328.13962	4.1
333.07135	2.6
335.09320	13.5
337.06772	2.7
339.11078	14.8
347.09064	5.0
349.06760	9.4
349.10489	4.3
351.08783	10.5
361.10672	3.0
363.08624	17.1
365.09949	4.6
373.06763	2.4
375.08536	17.0
375.12662	3.2
377.10172	3.4
379.07788	3.2
389.09863	4.3
391.07919	6.6
393.09769	10.2
394.12405	5.3
401.10245	2.2
403.11316	4.1
405.09341	3.9
406.12314	2.4
407.07010	2.9
409.08850	7.1
410.14499	68.0
417.09586	10.8
424.13571	7.6
427.10413	8.7
429.09503	4.3
431.10892	2.1
435.10333	3.1
441.11148	5.3
448.13498	4.1
453.11462	3.9
459.10587	2.6
472.13736	3.3
473.82913	2.2
477.11551	3.1
478.14557	3.3
490.14410	6.1
495.12918	14.4
508.16022	14.7
526.17145	66.7
527.11182	2.7
544.18323	44.6
562.18799	100.0
563.20172	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	562.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
58.06613	3.0
60.04526	0.7
62.57788	0.5
65.03935	0.6
67.05509	0.8
68.99796	0.6
69.03418	1.7
70.06596	38.4
71.60477	0.9
72.08154	0.7
73.02953	0.5
79.05473	0.8
81.03425	0.9
83.01327	0.7
84.04482	0.6
84.08147	1.1
85.02900	1.2
86.06040	0.6
86.09693	1.3
91.05476	2.8
91.87126	0.7
93.07038	1.0
94.06607	0.6
95.04967	1.3
96.08143	2.7
97.02881	1.6
98.05979	0.6
103.05502	0.7
105.03347	0.7
105.07035	1.1
107.04922	1.3
108.08135	0.8
109.02902	0.6
110.07162	0.6
117.03413	0.5
117.06960	0.7
119.04953	2.8
119.08617	0.7
120.08071	0.9
121.02891	1.4
121.06520	1.1
123.04427	16.1
124.07578	0.7
127.03922	1.5
128.89310	0.5
129.07069	0.6
131.04904	1.8
132.08067	0.7
133.06500	1.0
135.04468	1.2
136.07550	1.5
137.05977	1.9
138.09206	0.8
139.03905	3.1
141.07024	0.7
142.17369	0.5
143.05681	2.6
144.08121	0.5
145.02855	1.8
145.06444	0.9
147.04404	5.2
148.07567	1.9
149.05971	1.5
150.09119	1.4
151.03906	16.0
153.05457	1.0
157.06485	1.0
159.08014	0.6
160.07600	0.7
161.05989	1.5
162.05522	0.6
162.09131	1.8
163.03911	2.7
164.07072	3.3
165.05504	3.8
165.06834	0.7
166.08693	0.8
167.07077	1.4
167.08585	1.6
168.10187	0.6
169.06552	0.7
171.08145	0.9
173.05977	2.2
175.03909	1.8
175.07523	3.8
176.07079	2.0
177.05475	13.4
178.06015	0.6
178.08644	0.8
179.07101	0.6
179.08546	1.3
180.10191	1.5
181.06506	0.8
183.02904	0.6
183.08093	1.0
185.05992	1.3
187.07578	1.0
188.07066	5.3
189.05487	1.6
189.09029	0.6
191.07068	0.6
193.05045	0.8
193.06776	0.7
195.08080	1.8
197.06009	1.7
197.09653	1.0
199.07530	1.1
201.05568	1.1
203.03456	0.7
203.07037	1.5
206.08051	0.8
207.06517	1.6
207.08173	0.6
208.09636	0.6
209.06117	0.7
211.07433	2.6
213.05588	0.9
215.07042	2.5
216.10251	1.0
217.08682	0.6
219.06575	0.6
221.06087	0.6
223.07559	3.3
225.05533	1.0
225.09155	1.6
227.07100	2.3
231.06468	1.0
233.08058	0.6
234.11295	4.9
235.07544	0.7
237.05424	0.7
239.06938	3.5
241.08636	2.1
242.10249	2.4
243.06526	1.9
245.08170	0.8
249.05536	1.2
251.07098	4.5
253.04881	0.8
253.08649	2.2
255.06398	1.6
257.08139	1.2
261.07605	1.9
265.04913	0.7
267.06555	2.5
269.04559	0.5
269.08081	2.4
271.05832	0.9
271.09900	0.6
272.11337	2.0
273.07751	0.7
279.06592	1.1
281.08035	1.2
283.06143	0.7
285.07608	1.9
287.05600	1.0
295.05975	1.0
297.07440	1.5
299.05548	0.7
299.08902	0.7
303.05087	0.8
303.08704	1.7
305.11145	0.6
313.07037	1.1
315.08508	1.0
333.09778	3.5
339.10550	0.7
343.08234	0.8
374.12320	0.6
377.01990	2.1
386.16058	1.2
392.13339	1.8
395.02991	1.0
410.14468	100.0
411.14853	1.7
494.19653	0.6
494.83264	0.5
512.20856	0.7
526.16779	1.5
544.18036	3.6
562.19135	81.7
563.19836	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69614	1.6
53.03936	5.0
55.01865	3.5
55.05268	1.7
55.05510	25.2
57.03426	5.3
57.07067	1.3
57.30222	1.2
58.26134	1.0
59.04987	1.7
59.05685	1.0
61.02913	1.4
61.97484	1.1
65.03934	4.0
67.05502	84.0
69.03430	3.4
69.07067	18.2
71.04990	56.0
72.49977	1.1
77.03934	1.2
79.05490	66.3
81.07055	100.0
83.04980	11.7
83.08611	11.5
85.06551	7.9
87.04474	1.8
91.04895	2.3
91.05477	65.3
93.07040	66.6
95.04977	10.6
95.08603	39.5
97.06525	9.5
97.10184	3.8
98.21517	3.1
100.77680	1.2
105.04509	1.5
105.07032	34.6
107.08588	33.1
107.16978	1.3
109.06513	5.1
109.10146	19.8
111.08076	4.5
114.31992	1.2
115.05479	1.4
117.07011	9.6
119.08562	15.6
119.09223	1.3
121.10136	25.6
123.08073	2.3
123.11706	19.0
125.09672	2.5
131.08551	16.4
133.10126	33.5
135.11693	19.7
143.08632	1.7
145.10098	7.9
147.11684	6.1
149.13275	13.4
151.11179	14.8
159.11688	12.9
161.13261	5.0
163.14847	1.6
165.12744	1.9
173.13271	4.4
175.14865	2.2
177.12782	4.2
183.13812	22.2
187.13321	2.7
195.13818	5.3
199.14680	1.7
227.16489	3.0
229.72426	1.3
253.18002	1.4
257.17380	1.8
261.22198	4.8
269.17474	3.0
283.19046	4.1
285.16989	5.8
301.87756	1.1
324.36298	1.3
361.27591	1.6
363.25476	4.0
517.38867	28.6
529.38843	13.6
561.41486	69.6
562.42017	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03733	1.1
53.03931	5.9
55.01878	3.2
55.05515	24.6
57.03442	6.5
57.07088	2.7
59.05005	2.7
65.03951	4.4
67.05506	82.5
69.03441	4.5
69.07068	20.9
69.28701	1.2
71.04993	42.0
77.03892	1.5
79.05495	66.3
81.03439	3.8
81.07059	100.0
83.04990	11.0
83.08620	15.3
85.06535	6.3
91.05482	60.6
93.07047	64.5
95.04973	13.4
95.08612	46.7
97.06532	11.6
97.10162	6.1
99.08134	2.5
105.07034	39.7
107.05009	3.1
107.08599	40.1
107.09290	2.3
109.06547	5.2
109.10162	20.7
109.10851	2.0
111.08112	5.0
113.06120	1.4
115.05487	1.6
117.07024	14.1
119.08579	21.4
119.09346	1.7
121.06535	2.5
121.10146	25.7
123.08118	4.3
123.11719	19.2
124.13916	1.3
125.09653	3.5
129.07033	5.1
131.08588	19.1
133.10130	33.8
133.11087	2.0
135.08127	3.3
135.11685	18.3
135.12552	1.4
137.09633	2.4
139.11212	1.3
141.07024	1.4
143.08583	3.2
145.10120	13.9
147.11717	10.1
149.09663	1.9
149.13275	14.8
151.11203	12.7
153.09114	1.3
153.10583	1.2
153.12846	1.6
155.08568	1.9
157.10173	4.7
159.11696	13.6
161.13283	9.0
163.11249	4.8
165.12816	1.7
167.14468	1.3
169.10214	1.6
169.12239	2.2
171.11723	4.5
173.13246	5.8
175.11194	2.0
175.14905	2.3
177.12819	5.2
177.16487	1.4
178.60028	1.2
179.14380	1.7
183.12239	2.3
183.13809	13.3
183.15041	1.1
185.13377	3.5
187.13489	2.3
187.14920	2.9
195.12311	1.6
195.13763	6.2
197.13397	2.5
199.14911	2.9
203.18106	1.2
209.13370	1.6
227.12929	5.8
229.64835	1.5
243.21375	1.4
253.14572	4.8
253.18170	2.3
259.20786	4.4
261.22296	5.3
269.17682	5.0
271.20679	2.2
273.18503	1.7
275.20169	7.1
283.15656	2.9
283.19009	2.2
285.17200	3.8
289.21680	2.0
291.19678	3.1
293.21017	1.7
317.24829	1.8
327.23273	2.4
335.26062	3.4
349.24100	2.8
363.25400	3.7
389.94806	1.3
437.34329	3.6
463.31012	1.7
469.33429	1.8
511.38187	2.1
517.38947	21.6
525.35529	2.4
529.38861	32.8
543.36401	7.7
561.41284	78.9
562.40723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01870	5.2
55.05303	2.1
55.05511	20.6
57.03429	7.3
57.07065	3.1
65.03928	2.8
67.05507	59.0
69.03423	3.2
69.07072	13.9
70.73766	7.7
71.04980	4.0
79.05066	3.3
79.05495	48.6
81.03401	3.9
81.07054	61.7
83.04966	7.2
83.08617	11.7
91.05484	30.7
93.06483	3.6
93.07047	68.3
94.07378	2.8
95.04961	10.1
95.08610	61.3
97.02880	2.6
97.06520	6.0
97.10186	3.7
99.04478	2.8
105.07037	20.5
106.07402	3.0
107.04956	7.7
107.08601	40.1
109.06504	2.5
109.10161	16.7
111.04457	2.9
111.08112	2.6
117.07012	18.7
119.08575	16.9
121.06474	5.7
121.10152	28.8
123.11740	7.0
123.69147	2.1
125.05999	3.1
131.08617	11.8
133.10095	12.9
135.07973	2.4
135.11690	49.2
137.13255	2.8
143.08528	3.9
145.10126	28.6
147.11679	5.4
149.13258	9.7
151.11151	2.5
153.12672	2.8
155.08513	2.5
157.10150	3.1
159.11688	8.2
161.13223	4.4
163.11197	43.1
163.14786	2.8
171.11775	2.5
173.13264	4.5
181.12219	13.5
187.14885	3.8
209.11676	3.6
227.12788	100.0
243.21028	9.0
261.22134	23.7
275.20154	2.7
279.22955	3.7
282.17719	2.4
283.15344	40.1
283.18124	3.5
293.21274	3.9
317.24783	10.6
335.25809	59.6
336.26337	2.9
380.65274	2.5
469.32297	2.9
543.36902	29.3
561.39886	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03943	5.8
55.01868	3.8
55.05510	20.8
57.03439	4.1
57.07067	2.2
59.04992	1.2
61.02930	1.5
63.01484	0.7
65.03948	4.7
67.05502	86.3
69.03429	2.8
69.06715	1.2
69.07066	18.6
70.32010	2.4
70.32362	1.1
71.04990	53.6
71.08644	1.1
77.03939	0.8
79.05490	67.2
81.03425	3.2
81.07054	100.0
83.04977	12.5
83.08614	10.9
83.11566	0.6
85.06537	6.7
91.05479	61.5
93.07039	67.7
95.04969	12.7
95.08607	37.5
95.09236	1.1
97.06522	9.9
97.10163	5.3
99.08127	2.2
103.05437	0.8
105.04527	1.6
105.07031	35.4
107.04959	1.8
107.08590	35.9
109.06532	5.2
109.10152	17.8
111.07063	0.6
111.07394	0.7
111.08067	4.1
113.09675	0.7
115.05447	1.3
117.07015	11.0
119.08580	16.0
121.06525	2.3
121.10144	21.7
121.11021	1.2
123.08091	2.1
123.11700	19.9
123.12564	1.3
125.09670	3.1
127.07481	0.9
129.07013	2.6
131.08549	18.4
131.09470	1.1
133.10123	30.0
133.20129	0.7
134.10555	0.7
135.08083	2.2
135.11697	16.3
137.09581	0.8
137.13266	1.3
139.11111	1.1
143.08591	2.2
145.10107	8.2
147.08064	1.1
147.11688	7.4
149.09679	3.0
149.13252	15.0
149.14333	1.0
151.11177	13.6
153.12811	1.4
155.08604	1.5
157.10155	3.3
159.11688	12.2
161.13258	5.9
163.11211	1.3
163.14905	1.3
165.12819	1.1
169.10129	1.2
169.12292	1.2
171.11754	2.5
173.13242	3.9
175.14792	0.9
177.12758	5.4
183.12051	1.4
183.13800	14.8
183.15306	1.0
185.13351	1.2
187.11668	0.6
187.13345	3.2
187.14833	1.7
189.11270	0.8
189.12814	0.9
195.13744	5.0
197.13316	1.7
201.16420	1.0
213.14803	1.1
227.12880	2.0
227.16499	1.1
229.89412	0.7
243.21199	1.4
253.17943	0.8
259.20712	1.5
261.22168	4.6
267.15936	0.9
269.17535	4.3
275.20105	3.4
283.19104	2.7
285.16940	3.7
289.21942	1.0
293.21167	0.9
317.24860	1.0
335.25989	2.2
349.23932	1.3
349.27844	1.1
361.27573	2.4
363.12180	0.8
363.25491	2.8
437.34186	1.3
455.34457	0.8
469.33459	1.1
511.38242	0.9
517.38879	23.5
525.36151	1.3
529.38934	9.4
543.36676	5.9
561.41418	67.1
562.41681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18950	0.4
53.03921	0.6
57.03437	1.3
61.02915	0.6
65.03938	0.9
68.02605	0.5
69.03445	3.7
69.60591	3.9
70.06628	0.5
71.04970	0.6
71.63550	0.4
72.08123	0.7
81.07054	0.7
83.04995	0.7
85.02914	3.4
87.04469	1.2
91.05484	4.8
95.04961	0.5
97.02917	3.0
99.04463	0.6
103.05494	0.5
107.04980	1.0
109.02848	0.5
115.03894	0.6
131.04739	0.5
136.45920	0.6
137.05986	1.2
143.05640	1.4
147.04443	1.1
153.01846	0.6
155.03127	0.8
159.00470	0.6
177.05534	0.6
184.01483	0.5
185.04242	2.2
192.31482	0.5
192.87755	0.5
207.06598	1.2
247.28409	0.5
249.05260	2.6
267.06335	2.7
279.98608	0.5
287.05771	0.7
299.07843	0.5
317.08456	33.0
321.05811	6.3
335.09552	2.6
355.08328	0.8
369.10992	0.5
399.10843	2.1
453.10010	6.2
477.20575	0.5
517.16693	2.9
561.15833	100.0
561.32452	3.8
562.16107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01870	4.9
55.05511	26.2
56.74251	1.9
57.03432	9.1
57.07079	3.5
65.03934	3.7
65.54833	1.9
67.05505	75.7
69.03428	3.6
69.07076	20.6
69.41872	2.0
71.04990	17.2
71.52222	3.1
75.12910	1.8
79.05059	4.1
79.05494	62.4
81.03417	3.1
81.07060	81.4
83.04980	7.0
83.08624	14.0
91.05482	37.8
91.06026	4.0
92.91387	2.1
93.07047	78.6
95.04978	15.9
95.08605	73.2
97.02862	2.3
97.06525	7.9
97.10149	3.9
99.04495	3.7
105.07035	33.7
107.04960	7.8
107.08596	51.4
109.06510	4.1
109.10159	23.2
109.14747	2.0
111.08150	2.2
117.06998	19.4
119.08596	26.3
121.06535	3.6
121.10149	36.0
123.08096	2.3
123.11678	11.2
125.05977	2.4
129.07013	4.2
130.07805	2.0
131.08571	15.7
133.10115	16.4
135.08025	4.2
135.11687	52.7
143.08580	2.3
145.10124	34.1
147.11667	10.7
149.13274	10.8
151.11174	5.8
159.11725	11.6
161.13272	5.8
163.11182	55.8
163.14818	7.2
173.13251	6.5
175.14734	2.5
181.12245	11.2
183.13786	3.4
187.14851	2.9
195.13850	2.4
209.11783	2.3
215.18117	2.0
227.12775	100.0
243.21024	11.4
249.18549	2.2
251.11160	2.0
261.22202	34.3
279.23035	2.4
283.15369	35.9
291.19525	3.9
293.21115	2.2
317.24774	9.2
335.25793	72.2
517.38586	9.4
529.38684	9.0
543.36926	45.9
555.77722	2.7
561.41260	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	560.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.9
57.03404	1.4
61.02897	1.7
67.05483	1.4
68.05002	0.7
69.03425	4.7
70.06568	1.4
70.40900	0.4
71.01340	0.5
71.04988	0.5
71.59933	0.5
72.08126	0.6
73.02876	1.6
75.94699	0.5
81.03393	1.6
85.02898	6.9
86.09664	1.5
87.04431	0.9
91.05457	1.1
93.07013	0.5
94.06555	0.5
97.02915	3.9
99.04440	0.7
109.02857	1.5
119.04891	0.5
121.02888	0.7
127.03894	2.4
134.04614	5.6
135.03035	0.6
136.06189	0.5
143.05623	2.0
147.04361	0.5
152.05626	1.4
162.09155	1.0
163.03899	0.8
165.02296	5.4
165.05547	0.4
167.02586	1.0
175.09761	1.3
177.05450	0.9
181.05466	0.9
182.04956	100.0
185.08395	0.5
190.02959	0.9
194.04994	3.8
200.09314	1.4
205.05408	3.2
207.06493	0.9
208.09685	0.9
216.04628	2.4
219.06978	1.3
224.06050	1.0
231.06989	12.9
248.09647	27.6
257.09390	0.6
266.10696	58.2
267.11008	1.1
303.09924	0.9
314.09113	0.8
344.10324	0.5
380.13910	0.6
398.14923	9.8
399.15228	0.5
428.15976	45.6
442.58725	0.5
498.17719	0.8
510.18741	2.8
528.19360	0.9
542.16315	1.1
560.20270	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86600	2.1
53.03946	11.8
55.01842	3.1
55.05511	29.6
55.39078	1.9
57.03446	13.4
57.07075	4.4
57.31578	2.5
67.05505	96.9
69.03455	2.6
69.06768	2.6
69.07072	23.6
71.04969	5.1
71.52824	3.5
76.13023	2.2
79.05493	100.0
81.03408	4.7
81.07056	93.9
83.04967	10.5
83.08636	13.3
85.06529	5.0
90.43467	2.3
91.05478	71.8
93.07043	99.0
95.04983	24.5
95.08604	64.1
97.06529	6.9
97.10170	7.7
99.08107	2.5
105.07026	57.5
105.07684	4.3
107.04945	6.6
107.08595	42.6
109.06516	8.4
109.10163	22.9
117.07009	17.8
118.48164	2.1
119.08586	37.1
121.06559	2.5
121.10140	24.4
123.08070	6.5
123.11712	8.3
125.09596	2.8
128.06171	2.9
129.06976	19.3
131.08572	23.4
133.10143	20.8
135.08035	2.6
135.11707	16.2
137.13243	3.2
143.08557	15.9
145.10118	17.5
147.11679	46.8
149.13246	12.3
157.10179	6.1
159.11656	10.8
161.09578	4.8
161.13272	20.8
163.14830	4.4
169.10129	3.2
171.11662	32.9
173.13272	6.7
177.12721	3.4
179.14223	2.6
181.10063	3.1
187.14774	4.8
189.12714	14.9
193.62895	2.0
199.14819	3.9
207.13802	28.8
211.14761	2.1
225.14835	3.5
243.21080	5.4
261.22159	18.6
279.15790	4.6
281.17444	44.4
298.92386	2.2
317.24869	5.2
335.25784	78.7
449.33853	6.1
467.34998	5.0
487.35144	2.3
488.37439	2.2
523.37695	2.7
541.38892	99.7
542.38995	4.6
559.40393	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.05508	35.4
57.03434	13.6
57.07067	3.1
65.03946	5.2
66.29580	2.8
67.05501	89.0
69.07060	27.3
69.37369	6.1
69.37775	21.9
71.04988	3.6
73.06531	3.5
73.50472	2.6
75.82804	2.5
78.08429	2.5
79.05493	98.2
79.05965	4.9
81.03419	7.1
81.07053	85.2
83.04980	12.4
83.08626	13.3
85.06535	3.4
91.05483	84.9
93.07042	100.0
95.04960	30.9
95.08606	58.2
97.06548	4.6
97.10168	7.8
103.05477	3.0
105.04478	3.5
105.07031	52.9
107.04937	11.2
107.08578	31.9
109.06514	8.8
109.10152	18.7
117.07017	17.1
119.08572	39.1
119.94527	2.6
121.06491	5.0
121.09373	4.2
121.10125	18.2
123.08051	6.0
123.11719	3.0
128.06244	3.2
129.06979	23.9
130.67107	2.8
131.08534	18.8
133.10088	18.0
135.11710	12.9
143.08572	16.9
145.10115	22.7
146.82066	2.4
147.11702	43.8
149.13257	7.9
157.10097	7.4
159.11719	9.6
161.09621	6.0
161.13234	13.0
163.14877	3.5
169.10118	5.9
171.11682	33.9
173.13190	7.0
189.12727	11.9
207.13773	24.3
213.16435	3.1
231.27274	2.7
243.21066	4.2
243.87508	3.0
261.22095	10.3
279.16049	6.5
281.17438	56.2
317.24689	3.9
335.25763	51.0
425.07968	3.0
449.34064	7.8
467.35056	4.5
485.35794	3.5
489.94293	3.2
502.03049	2.7
511.00839	3.6
541.38947	63.5
542.38916	5.4
559.40161	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	559.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.05516	29.1
57.03442	12.8
57.07065	4.5
65.03929	4.3
67.05507	100.0
67.33067	1.9
69.07072	18.3
70.73804	7.1
71.04989	4.5
79.05495	94.5
79.63821	2.1
81.03403	5.7
81.06583	4.2
81.07059	83.2
82.72392	2.2
83.04976	11.6
83.08607	14.1
85.06546	3.6
91.05482	62.8
93.07045	91.9
93.07634	4.9
95.04958	23.3
95.08049	3.7
95.08608	51.4
97.06525	6.2
97.10149	5.4
98.21350	2.2
99.08080	2.3
105.04564	2.6
105.07037	47.3
107.04950	5.9
107.08598	33.5
109.06495	9.0
109.10143	18.0
111.08081	2.9
117.07011	19.9
119.08575	38.2
121.06507	3.5
121.10147	23.6
123.08046	6.4
123.11677	6.6
128.06273	3.6
129.07008	16.7
131.08578	20.9
133.10118	14.2
135.11729	12.8
137.09613	3.1
143.08582	10.4
145.10146	13.0
147.08096	2.6
147.11696	33.1
149.13278	7.0
157.10147	6.8
159.11678	8.6
161.09584	4.9
161.13272	12.8
163.14786	3.2
166.77722	2.3
169.10130	4.5
171.11716	22.7
173.13269	7.5
175.11288	2.3
177.12692	2.8
179.14342	2.5
181.10271	1.9
183.11716	5.3
185.13274	3.4
187.11136	2.9
187.14919	4.6
189.12801	7.3
199.14841	2.2
207.13791	22.4
241.14230	2.6
243.21167	3.5
261.22150	13.9
279.15686	4.8
281.17459	33.4
335.25836	45.0
336.26077	2.4
449.34375	4.2
467.35141	2.4
485.36179	3.8
503.58157	2.5
541.39020	70.4
542.39404	4.0
559.40155	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
53.16127	2.8
55.01872	20.5
55.05511	63.0
57.03434	15.3
57.07076	5.1
63.71122	2.4
65.03947	4.6
67.05503	95.8
69.03430	11.4
69.07066	43.6
69.37960	8.1
69.38377	17.8
71.04995	7.3
73.25201	2.4
79.05493	81.8
81.02977	5.4
81.03419	65.6
81.07055	100.0
83.04988	13.0
83.08623	44.0
85.02901	3.7
85.06532	6.6
88.42671	2.6
90.42842	2.6
91.05479	71.1
93.07043	60.7
95.04969	43.6
95.08605	42.6
97.06530	18.6
97.10169	40.2
99.08091	3.4
103.05502	2.8
105.07029	73.0
107.04961	22.7
107.08591	58.1
109.06539	15.8
109.10149	36.1
111.04446	3.7
111.08074	9.8
115.05491	6.5
117.07008	29.1
119.04988	3.9
119.08574	50.7
121.06500	14.0
121.10128	25.6
123.08086	10.8
123.11723	15.0
125.09630	41.2
128.06262	3.7
129.06998	22.9
131.04932	6.3
131.08565	44.2
133.06503	8.7
133.10143	40.1
135.08061	13.8
135.11667	12.9
137.09604	7.2
141.06985	6.3
142.07794	5.6
143.08543	21.2
145.06496	11.0
145.10098	34.8
147.08072	11.7
147.11685	41.0
149.09642	18.8
149.13290	5.3
151.11174	4.0
153.09129	6.3
155.08578	9.0
157.10132	20.4
159.08116	11.4
159.11707	22.9
161.09592	8.1
161.13347	6.4
163.11145	16.9
165.12770	3.7
165.15154	3.0
167.08641	5.2
169.10175	11.6
171.08066	3.9
171.10323	4.0
171.11665	15.3
173.09665	9.9
173.13310	10.3
175.11200	14.0
177.12793	3.5
181.10190	3.8
183.11705	13.0
183.22227	2.7
185.13272	12.8
187.11177	12.6
187.14877	3.5
189.11215	28.8
189.12775	4.3
193.10503	5.4
193.12251	26.8
195.11708	6.5
197.13319	5.5
199.14876	6.4
201.12752	3.8
203.14445	4.6
207.13844	3.7
209.13263	5.3
211.13205	4.8
211.15004	3.1
214.60204	2.9
219.13818	3.1
227.12766	28.3
229.14374	4.2
229.19588	4.0
239.17984	4.7
243.15804	2.8
249.14908	3.5
255.17413	3.8
257.19034	8.6
262.55994	2.6
267.15884	30.1
271.20590	5.2
273.18524	5.0
275.20062	66.1
279.21176	2.7
280.26834	2.9
281.18906	4.6
291.19601	6.5
293.21045	6.4
297.22061	6.5
299.20053	29.0
313.21729	5.9
315.23093	16.6
317.21228	14.2
325.21640	3.2
337.21347	3.6
349.23828	21.5
355.22726	3.9
373.23807	12.0
385.23767	3.4
397.22699	3.6
417.26538	3.4
431.29453	7.3
439.32516	3.5
447.27469	6.3
449.30606	14.0
467.31781	27.6
485.32928	14.5
523.34357	7.1
541.35278	79.1
559.36365	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.4
55.01871	19.7
55.05509	54.5
57.03435	15.8
57.07047	2.5
65.03926	4.4
67.05503	94.1
69.03436	5.0
69.07067	39.1
71.04987	11.6
71.30837	2.0
71.31183	4.4
79.05491	91.2
81.03419	69.2
81.07053	98.5
83.04964	20.4
83.08616	39.8
85.02911	17.9
85.06543	4.9
91.05479	84.9
93.07043	65.2
95.01278	2.1
95.04964	45.9
95.08607	48.3
97.06538	16.3
97.10172	20.7
99.08128	2.3
103.05461	3.3
105.04526	2.6
105.07030	76.8
107.04958	22.0
107.08589	69.6
107.09168	1.7
109.06525	20.9
109.10156	28.9
111.04408	4.4
111.08106	13.8
113.06005	2.5
113.09639	4.3
115.05445	6.2
117.07027	28.3
118.50153	2.3
119.08575	52.2
121.06525	11.8
121.10130	20.0
123.08048	10.9
123.11725	10.1
125.09631	22.9
127.07533	2.0
128.06224	3.6
129.07005	18.5
131.08577	45.1
133.06499	7.8
133.10129	33.6
135.08076	12.0
135.11702	11.0
137.09610	6.0
141.07028	6.7
142.07768	4.9
143.08575	16.3
143.50563	2.5
145.06461	5.8
145.10132	37.0
147.08072	7.3
147.11685	33.8
149.09624	25.3
149.13208	4.2
151.11177	4.6
153.09061	2.5
153.12753	2.2
155.08565	7.8
157.10117	20.4
159.08099	5.1
159.11682	19.6
161.09607	8.1
161.13277	5.8
163.11118	14.8
165.07030	2.8
165.12622	4.2
169.10112	11.1
171.07953	2.6
171.10448	2.4
171.11650	11.4
173.09653	5.9
173.11823	4.2
173.13297	9.4
175.11182	13.9
177.12773	2.4
179.14346	5.7
181.10184	2.6
183.11685	7.7
185.09619	2.6
185.13235	6.8
187.11195	7.2
187.14789	4.3
189.09393	1.9
189.11212	12.4
189.12665	5.0
193.12224	33.3
195.11624	3.6
197.13226	5.9
199.06653	2.4
199.11139	3.0
201.12776	4.0
205.12233	2.3
211.11301	4.2
211.13242	29.8
211.14912	3.3
212.78894	2.2
213.12743	3.5
215.14363	3.3
219.13785	2.9
223.13206	3.9
223.15189	2.6
227.12749	13.2
229.14331	2.8
229.19533	4.2
239.18019	4.0
247.20486	2.7
249.14893	2.3
257.18970	16.3
267.15866	28.3
267.18484	2.5
273.18484	6.3
275.20074	72.8
280.54221	2.2
285.16901	2.6
291.19461	5.2
293.21155	5.7
297.22046	2.5
299.20074	9.2
310.19803	2.2
313.21738	4.7
315.23193	7.2
317.21362	2.5
323.20120	2.2
331.22623	3.8
349.23703	15.3
355.22787	2.6
371.25858	2.3
373.23755	4.0
397.23178	2.3
431.29056	4.2
433.25879	4.6
449.30450	8.3
461.28513	2.3
467.31656	12.5
485.32837	6.6
513.35620	2.6
523.34351	6.2
541.35242	53.4
559.36212	100.0
560.36780	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01869	11.6
55.05507	31.1
56.96555	4.6
57.03424	8.9
57.07072	12.1
59.05008	4.0
61.02917	6.6
67.05502	54.5
69.03423	28.5
69.07066	46.9
71.01376	5.4
71.04988	7.2
71.08624	9.0
71.60387	5.3
79.05491	35.5
81.03429	31.3
81.07057	100.0
83.04973	7.9
83.08622	33.4
85.02421	5.6
85.02902	55.8
85.06532	11.4
85.10202	4.9
86.09672	4.2
87.00834	12.8
91.05495	34.2
93.07042	63.7
95.04945	18.8
95.08604	68.9
97.02879	22.0
97.06522	13.9
97.10167	22.0
99.04450	8.3
99.08089	18.8
103.05477	4.0
105.01849	16.0
105.07015	29.7
107.04945	7.3
107.08603	43.9
109.02879	14.7
109.06514	9.5
109.10154	55.2
111.04498	4.4
111.08080	16.4
111.11732	5.5
112.07659	3.7
114.32458	3.1
117.07015	5.9
119.04935	3.5
119.08614	23.8
121.10166	30.5
123.04438	9.9
123.08047	5.4
123.11700	32.4
125.13267	4.7
127.03903	23.2
129.01848	4.4
129.06985	4.5
131.04890	3.5
131.08606	16.8
133.10127	15.4
135.04431	5.1
135.08061	6.6
135.11694	25.4
137.05960	6.7
137.13222	8.2
143.05647	5.4
145.02931	4.2
145.04967	7.9
145.10118	9.6
147.04446	5.3
147.08011	6.2
147.11690	9.7
149.02383	9.0
149.06000	5.0
149.09605	6.5
149.13231	26.8
151.14862	6.2
155.08572	5.0
157.10115	8.3
161.05887	3.6
161.09595	3.5
161.13316	6.6
163.11197	5.6
163.14871	14.2
165.16393	7.2
167.07086	4.3
169.10127	4.5
171.11732	3.7
173.09595	6.0
173.13234	3.6
177.05464	6.0
179.17964	8.9
185.09732	4.3
191.17992	3.8
207.06456	6.2
231.05092	4.7
275.20142	8.3
275.27368	10.3
286.04721	5.6
293.28348	50.8
305.28275	4.1
311.08957	3.9
311.29526	7.1
325.04962	3.5
397.12659	4.8
401.30261	4.8
449.30615	4.0
480.50931	4.0
487.30460	4.8
505.31851	5.4
541.34753	10.6
559.35492	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	559.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.3
70.06570	1.9
70.33240	8.0
84.04466	1.5
85.02895	3.4
97.02892	2.1
98.97584	3.6
116.98589	1.9
117.03380	1.9
134.99673	2.1
137.06024	1.6
143.01842	2.2
147.04424	2.6
149.01245	2.4
163.03856	12.8
168.63307	1.8
177.00792	2.2
185.02895	1.8
187.02667	1.6
187.45888	1.6
189.00807	2.2
189.04427	2.0
207.06435	1.8
216.92731	4.3
245.05049	5.0
247.04930	3.3
248.22412	1.9
261.02899	4.4
270.90222	1.6
277.00116	2.1
277.05856	2.3
359.32349	1.7
406.39697	1.8
452.15060	1.9
559.14166	100.0
560.14624	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	7.3
66.13541	2.3
68.15914	2.0
70.06592	3.0
71.59008	2.4
71.59422	2.6
79.05507	2.2
86.38554	2.3
89.03902	16.0
91.05490	3.6
95.04972	2.2
107.04942	2.7
117.03389	13.9
118.06544	19.3
122.20489	2.1
123.04455	3.9
132.08087	4.9
133.02835	2.6
135.04408	25.7
143.00192	3.2
143.07332	2.8
144.08116	11.1
145.02846	17.1
146.03233	3.9
146.06009	53.1
147.04404	7.9
159.09210	5.2
161.01212	4.9
163.03909	100.0
164.04247	9.1
170.06042	5.0
179.03444	4.3
182.08119	3.6
188.07072	99.0
189.00722	2.1
201.94798	2.1
205.09735	28.6
213.40355	2.0
221.03198	2.5
237.00688	8.5
237.38466	2.1
255.01791	7.7
273.02762	6.5
411.06149	2.8
429.06808	3.5
483.98947	2.5
499.97876	2.3
549.47272	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	558.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01347	0.5
55.01872	0.7
56.96563	0.6
57.03419	0.5
60.51505	0.5
61.02925	7.3
65.03950	0.5
69.03403	1.5
69.07034	0.5
69.47678	1.1
69.48092	3.5
70.06576	1.9
72.08137	0.7
72.69888	0.6
73.02918	0.6
78.04688	1.7
79.05479	2.0
81.03423	1.2
81.07078	0.7
82.06625	0.5
84.08146	0.8
85.02884	2.0
89.06015	0.6
91.05461	3.0
91.39639	0.5
93.03433	2.6
93.03909	0.5
93.07034	1.5
95.04950	1.1
97.02869	1.0
98.40276	0.5
103.05480	1.4
104.52557	0.5
105.07010	1.0
106.04159	4.4
107.04962	3.7
108.04488	0.6
109.02836	1.1
109.06516	0.6
111.08065	0.7
117.03394	1.0
119.04933	1.1
121.06503	5.4
123.04428	4.5
124.05224	2.7
124.06050	0.5
125.05991	1.5
127.03834	1.0
131.04903	0.6
134.03568	1.0
135.04398	1.3
137.05962	1.8
139.07510	1.8
143.05624	5.0
144.04076	0.9
145.02844	1.9
147.04398	2.8
148.05106	0.5
149.05975	7.8
151.03880	0.8
151.07491	0.6
152.04675	1.6
153.09096	1.6
162.01363	0.5
163.03870	2.5
163.07481	0.6
164.81139	0.6
165.05455	0.7
167.07033	100.0
175.03877	0.8
177.05443	7.7
178.08580	0.6
179.07056	1.5
179.08881	0.5
181.08614	4.3
191.07124	0.7
195.06564	0.7
202.16866	0.6
207.06549	1.4
209.08084	25.3
223.04213	3.8
227.09119	23.4
251.05478	0.8
289.54172	0.5
326.48935	0.6
340.15546	0.9
381.16357	0.9
382.16745	3.2
419.16513	0.6
558.19940	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01863	5.9
55.05508	23.8
57.03425	4.8
57.07077	2.1
60.15493	1.4
65.03933	2.7
67.05503	46.8
67.23637	1.1
69.03408	2.1
69.07064	19.1
69.37835	3.1
69.38235	9.4
71.04971	3.5
72.28352	1.3
79.05492	43.3
81.03420	6.9
81.07057	43.0
83.03929	1.3
83.04974	6.4
83.08615	12.1
83.31158	1.1
85.06533	2.8
91.05479	38.1
93.06463	2.5
93.07043	37.8
95.04961	11.2
95.08046	2.7
95.08607	32.3
97.06525	4.7
97.10157	6.7
103.05489	2.0
105.07026	36.2
106.07307	1.7
107.04970	7.1
107.08595	24.4
109.06538	6.5
109.10160	11.2
111.08094	3.6
115.05447	3.4
117.07015	22.1
119.07784	2.4
119.08588	29.6
121.06492	2.6
121.10154	12.8
123.04417	1.3
123.08073	3.1
123.11677	3.5
125.09628	5.2
128.06229	4.1
129.06999	19.1
131.08571	30.9
133.06493	2.2
133.10126	19.5
135.08025	3.0
135.11670	11.0
137.09605	1.8
139.11209	1.4
141.06953	9.4
142.07793	3.6
143.08554	21.4
145.06474	3.5
145.10117	27.8
147.08058	2.7
147.11693	14.8
149.09613	3.1
149.13249	5.5
150.09944	1.5
153.07021	2.2
154.07811	2.9
155.08553	19.7
156.09373	2.9
157.06514	1.6
157.10127	24.9
157.11328	2.4
159.08086	2.6
159.11697	19.7
161.09653	3.9
161.13237	11.6
163.11156	4.3
163.14806	1.6
165.07036	3.3
166.07880	2.7
167.08549	10.1
168.09315	3.2
169.10117	22.3
170.49030	1.3
171.08083	1.3
171.11688	20.3
173.09642	2.3
173.13260	12.5
175.11182	2.3
175.14845	4.6
179.08533	3.0
180.09393	1.6
181.10109	13.8
182.10947	1.9
183.11685	16.9
185.09637	2.9
185.13272	12.9
187.11165	2.7
187.14816	5.5
189.11186	1.9
189.12737	3.0
191.14153	1.4
193.10197	4.3
195.11728	13.2
197.13281	14.4
199.11082	1.4
199.14825	8.7
201.12869	1.5
201.16402	2.5
205.10123	1.3
207.11722	5.6
207.13800	4.3
209.13281	9.7
211.14780	8.7
213.16368	8.4
215.14333	1.6
219.11787	2.2
220.70280	1.3
221.13223	5.0
223.14899	8.0
225.16426	5.3
227.12785	2.3
231.17519	1.7
233.13197	1.4
233.15511	1.4
235.14713	2.8
235.17027	1.8
237.16367	2.9
239.17937	3.7
241.19415	6.8
247.16945	2.5
249.16472	2.7
251.18034	1.6
253.19556	2.0
255.17584	1.6
257.19000	3.8
259.20532	9.9
271.17020	1.7
273.18427	1.8
275.20059	3.6
279.15646	1.9
281.17322	6.8
287.20090	1.8
289.18488	1.7
297.18451	2.6
297.21976	2.0
309.22055	1.6
311.19781	1.6
311.23584	1.3
313.21490	2.4
315.19867	2.0
321.22046	2.8
323.23798	3.0
333.24246	2.7
335.23611	3.6
337.25479	1.7
339.22922	2.9
349.25186	1.5
351.22958	1.6
353.24820	2.3
363.26987	1.5
367.26166	1.8
419.33081	5.3
429.31720	6.3
437.34082	13.0
447.32587	23.6
448.32538	1.7
465.33908	29.3
483.34958	17.7
501.35571	2.3
511.37198	2.1
521.36353	11.5
527.36652	2.0
529.38763	5.8
539.37360	100.0
540.37494	2.5
557.38818	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	557.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01863	5.9
55.05508	23.8
57.03425	4.8
57.07077	2.1
60.15493	1.4
65.03933	2.7
67.05503	46.8
67.23637	1.1
69.03408	2.1
69.07064	19.1
69.37835	3.1
69.38235	9.4
71.04971	3.5
72.28352	1.3
79.05492	43.3
81.03420	6.9
81.07057	43.0
83.03929	1.3
83.04974	6.4
83.08615	12.1
83.31158	1.1
85.06533	2.8
91.05479	38.1
93.06463	2.5
93.07043	37.8
95.04961	11.2
95.08046	2.7
95.08607	32.3
97.06525	4.7
97.10157	6.7
103.05489	2.0
105.07026	36.2
106.07307	1.7
107.04970	7.1
107.08595	24.4
109.06538	6.5
109.10160	11.2
111.08094	3.6
115.05447	3.4
117.07015	22.1
119.07784	2.4
119.08588	29.6
121.06492	2.6
121.10154	12.8
123.04417	1.3
123.08073	3.1
123.11677	3.5
125.09628	5.2
128.06229	4.1
129.06999	19.1
131.08571	30.9
133.06493	2.2
133.10126	19.5
135.08025	3.0
135.11670	11.0
137.09605	1.8
139.11209	1.4
141.06953	9.4
142.07793	3.6
143.08554	21.4
145.06474	3.5
145.10117	27.8
147.08058	2.7
147.11693	14.8
149.09613	3.1
149.13249	5.5
150.09944	1.5
153.07021	2.2
154.07811	2.9
155.08553	19.7
156.09373	2.9
157.06514	1.6
157.10127	24.9
157.11328	2.4
159.08086	2.6
159.11697	19.7
161.09653	3.9
161.13237	11.6
163.11156	4.3
163.14806	1.6
165.07036	3.3
166.07880	2.7
167.08549	10.1
168.09315	3.2
169.10117	22.3
170.49030	1.3
171.08083	1.3
171.11688	20.3
173.09642	2.3
173.13260	12.5
175.11182	2.3
175.14845	4.6
179.08533	3.0
180.09393	1.6
181.10109	13.8
182.10947	1.9
183.11685	16.9
185.09637	2.9
185.13272	12.9
187.11165	2.7
187.14816	5.5
189.11186	1.9
189.12737	3.0
191.14153	1.4
193.10197	4.3
195.11728	13.2
197.13281	14.4
199.11082	1.4
199.14825	8.7
201.12869	1.5
201.16402	2.5
205.10123	1.3
207.11722	5.6
207.13800	4.3
209.13281	9.7
211.14780	8.7
213.16368	8.4
215.14333	1.6
219.11787	2.2
220.70280	1.3
221.13223	5.0
223.14899	8.0
225.16426	5.3
227.12785	2.3
231.17519	1.7
233.13197	1.4
233.15511	1.4
235.14713	2.8
235.17027	1.8
237.16367	2.9
239.17937	3.7
241.19415	6.8
247.16945	2.5
249.16472	2.7
251.18034	1.6
253.19556	2.0
255.17584	1.6
257.19000	3.8
259.20532	9.9
271.17020	1.7
273.18427	1.8
275.20059	3.6
279.15646	1.9
281.17322	6.8
287.20090	1.8
289.18488	1.7
297.18451	2.6
297.21976	2.0
309.22055	1.6
311.19781	1.6
311.23584	1.3
313.21490	2.4
315.19867	2.0
321.22046	2.8
323.23798	3.0
333.24246	2.7
335.23611	3.6
337.25479	1.7
339.22922	2.9
349.25186	1.5
351.22958	1.6
353.24820	2.3
363.26987	1.5
367.26166	1.8
419.33081	5.3
429.31720	6.3
437.34082	13.0
447.32587	23.6
448.32538	1.7
465.33908	29.3
483.34958	17.7
501.35571	2.3
511.37198	2.1
521.36353	11.5
527.36652	2.0
529.38763	5.8
539.37360	100.0
540.37494	2.5
557.38818	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	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.5
53.03735	1.5
53.03947	14.5
55.01862	5.9
55.05511	20.8
57.03454	2.6
57.07065	3.1
62.17284	1.1
62.66089	1.2
65.03938	3.1
67.05504	85.1
69.03410	1.7
69.07069	15.2
69.47095	7.7
69.47501	3.2
69.86053	1.7
71.04982	5.4
73.62748	1.1
77.03942	1.5
78.44144	1.2
79.05495	70.4
81.03419	25.7
81.07055	85.7
83.04967	9.8
83.08637	10.3
85.06516	3.5
86.51952	1.2
87.04449	1.1
91.05482	46.1
93.07043	78.6
94.41928	1.3
95.01328	3.8
95.04971	21.7
95.08604	57.6
95.90256	1.3
97.06526	5.4
97.10160	4.6
98.21456	2.3
99.08124	2.0
103.05488	2.2
105.04503	2.0
105.07029	30.5
107.04958	27.1
107.08595	33.9
109.06520	6.5
109.10159	16.3
111.04455	1.4
111.08099	7.1
113.05969	1.6
115.05389	1.3
117.07014	19.0
119.04946	1.9
119.08582	18.3
121.06534	7.9
121.10128	21.1
123.04459	2.7
123.08071	13.6
123.11745	2.4
125.09634	1.9
128.06215	2.9
129.07018	5.7
131.04942	2.0
131.08575	27.7
133.06493	3.5
133.10121	17.8
134.41360	1.3
135.08061	4.1
135.11694	29.0
137.09619	2.0
141.06995	6.7
143.08536	7.0
145.06502	10.6
145.10136	16.5
147.11671	7.4
149.09642	2.4
149.13264	15.0
155.08548	2.9
157.10144	4.4
159.08054	4.2
159.11691	25.2
159.12990	1.2
161.09618	1.4
161.13257	5.1
163.11174	2.6
163.14809	3.5
167.08669	1.6
169.10126	8.7
171.11739	4.9
173.11861	2.2
173.13290	7.2
177.12758	13.2
183.11673	4.1
185.13268	3.0
187.11197	21.4
187.14911	2.9
189.11186	2.2
195.11824	2.4
195.13815	9.9
195.67656	1.3
197.13310	1.5
199.14838	2.1
205.12262	6.2
209.13220	1.7
223.13235	12.0
227.12779	2.1
233.22548	2.1
241.14345	24.5
241.16757	1.9
243.21188	4.4
259.20557	2.3
261.22110	17.8
279.15906	100.0
283.26547	2.3
297.16937	10.2
311.23453	2.1
315.23279	1.8
317.24875	3.6
323.23221	1.6
447.32520	3.9
465.33557	7.9
483.34882	6.2
529.38855	3.7
539.37415	20.9
557.38397	82.1
557.53284	6.2
558.38635	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84619	1.8
53.03944	18.5
55.01870	6.0
55.05513	27.6
57.03437	6.4
57.07081	4.0
65.03953	6.8
67.05505	97.7
69.03444	4.9
69.07065	22.8
69.83807	9.7
71.04994	5.2
71.08652	2.3
79.05494	83.8
81.03424	29.6
81.07060	100.0
83.04971	11.1
83.08612	13.7
85.06557	5.1
89.06064	2.6
91.05479	61.2
93.07042	91.6
95.01336	3.3
95.04974	26.4
95.05540	1.9
95.08609	60.3
97.06551	8.0
97.10194	6.4
99.08125	2.7
105.07024	47.5
107.04952	27.0
107.08601	43.8
107.09290	3.6
109.06512	9.5
109.10148	18.4
111.08070	3.9
115.05485	3.9
117.07027	27.2
119.05002	2.9
119.08572	28.2
119.09317	1.7
121.06568	7.2
121.10152	25.9
123.08058	15.9
123.11765	3.3
125.09657	4.1
128.06242	3.3
129.07005	9.5
131.04936	2.1
131.08575	32.5
131.09521	2.4
133.06558	3.8
133.08609	2.0
133.10112	23.0
134.24091	1.9
135.08089	4.1
135.11690	28.8
141.07033	5.2
142.07866	2.5
143.08557	14.1
145.06479	12.9
145.10130	22.4
147.11658	12.3
149.13231	13.7
155.08591	5.1
157.10158	10.9
159.08147	3.2
159.11690	27.0
161.09680	2.9
161.13336	7.9
163.11206	2.7
167.08618	1.9
169.10146	11.7
171.11716	9.4
173.13338	8.2
175.11319	2.0
177.12755	9.3
179.14258	1.8
181.10191	3.6
183.11713	3.1
185.13295	3.5
187.11177	15.9
187.14871	4.7
189.11264	2.1
189.12895	2.9
195.12064	3.3
195.13895	9.5
197.13332	2.4
199.14905	3.5
201.16315	2.2
205.10632	1.7
205.12373	8.0
207.13802	4.3
209.11700	1.9
211.14754	1.5
215.14482	2.1
223.13303	9.8
225.27560	1.6
227.12846	5.7
237.16536	2.2
241.14316	22.0
241.16333	1.7
243.21236	3.0
257.19287	2.2
259.20636	4.2
261.22131	12.9
270.49210	2.8
275.20294	4.2
277.21811	3.1
279.15918	82.0
283.26294	1.9
291.19708	3.1
297.17242	7.0
317.24933	3.1
353.29745	1.8
437.34427	2.2
447.32697	4.9
465.33887	7.7
467.37436	4.3
483.34946	7.4
529.39166	4.0
539.37561	26.1
557.38580	80.9
557.53271	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01862	6.0
55.05265	2.4
55.05507	29.5
57.03427	6.5
57.07058	7.1
64.36632	2.0
65.03919	3.4
67.05505	60.8
67.60516	2.0
69.07061	20.3
69.26347	14.7
69.26772	9.1
71.04972	3.7
74.01714	1.8
74.55330	1.9
75.59188	2.1
79.05064	3.2
79.05494	49.2
79.70148	2.1
81.03426	10.1
81.07054	53.8
83.04955	4.1
83.08619	14.4
84.59592	2.0
85.37680	2.1
91.05478	47.2
93.06472	3.4
93.07044	42.9
95.04966	12.6
95.08606	35.1
97.02844	2.2
97.06528	4.8
97.10151	9.6
98.21504	5.8
99.08102	3.3
103.82822	2.2
105.07024	33.7
107.04950	6.3
107.08595	22.4
109.06488	4.4
109.10168	15.9
111.08071	4.7
117.07010	25.5
119.08583	24.7
121.06529	3.7
121.10147	20.9
123.08073	3.4
123.11684	3.8
125.09641	4.5
128.06218	3.1
129.06987	18.6
131.08577	29.6
133.10100	19.8
135.08098	4.1
135.11699	14.9
137.09691	2.0
137.58673	2.0
141.06961	7.3
142.07813	3.0
143.08556	21.5
145.06461	3.1
145.10118	32.4
147.08015	2.5
147.11693	16.0
149.09644	3.2
149.13239	5.7
155.08545	18.9
155.83224	2.1
156.09245	3.0
157.10156	18.7
159.11664	20.4
161.13232	10.2
163.11069	2.6
167.08609	10.0
168.09331	2.6
169.10098	24.0
171.08081	3.0
171.11707	17.9
173.13243	12.3
175.14728	3.4
179.08618	2.5
181.10156	13.1
182.10944	2.4
183.11713	19.7
185.13248	14.0
187.11227	3.1
187.14850	7.9
195.11661	11.1
197.13277	13.6
199.11206	4.2
199.14824	8.9
205.12263	3.3
207.11761	5.2
207.13617	4.1
209.13287	8.9
211.14816	9.7
213.16411	7.0
223.13092	12.2
223.15154	3.4
225.16463	5.0
235.14838	3.8
237.16466	4.5
241.19501	3.9
245.80501	2.3
251.17903	2.5
259.20609	7.7
279.15918	7.1
279.20770	2.2
283.26285	2.4
284.26633	2.8
297.22000	3.2
299.23520	2.6
325.25208	3.3
327.23093	2.9
329.24561	3.0
333.24512	2.7
341.24622	3.3
353.24576	2.6
419.33087	2.9
429.31503	7.0
437.34250	12.2
447.32724	23.0
465.33704	29.2
483.34705	19.5
485.33963	3.0
493.36469	2.8
501.35825	5.3
511.38190	3.2
521.36157	8.7
529.38745	9.6
539.37317	100.0
557.38367	77.1
557.52740	5.7
559.27179	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01876	3.0
55.05507	20.1
57.03432	5.1
57.07078	3.9
60.81579	1.4
65.03946	2.0
67.05506	41.6
68.56644	1.2
69.07069	18.8
69.84104	3.1
69.84517	6.3
71.04990	1.9
71.08627	1.3
79.05495	37.8
81.03434	2.2
81.07058	37.4
83.04995	3.0
83.08623	8.4
85.06545	2.9
89.26882	1.5
91.05479	34.0
91.06006	2.1
93.07038	37.1
95.04993	5.9
95.08606	27.3
97.06536	4.6
97.10172	6.6
98.21445	2.6
99.08091	2.1
102.05329	1.5
103.05433	1.8
105.07028	31.6
107.04971	4.1
107.08588	17.4
109.06515	2.9
109.10135	11.3
111.08112	2.1
113.06018	1.3
115.05437	2.5
117.07008	17.4
119.08585	25.1
121.06519	2.9
121.10140	11.0
123.08083	4.3
125.09644	1.8
128.06180	7.3
129.06996	18.2
130.07841	1.5
131.08569	33.1
131.09517	2.0
133.10124	17.7
135.08084	3.5
135.11746	4.4
141.06984	9.6
142.07803	5.1
143.08565	24.7
144.09242	1.7
145.06502	1.8
145.10112	26.4
147.08118	2.4
147.11681	16.6
149.09633	2.4
149.13280	3.0
154.07817	1.6
155.08548	20.1
156.09363	2.7
157.10109	20.9
159.11714	17.3
161.09665	2.0
161.13231	9.3
166.07777	2.4
167.08516	10.1
168.09402	3.8
169.10144	26.8
169.11562	1.7
169.68922	1.4
171.11688	22.8
173.13239	12.1
175.11319	2.5
175.14893	4.8
179.08594	2.3
181.10094	13.0
182.10933	1.8
183.11707	18.5
185.09691	1.9
185.13255	16.7
187.11226	3.8
187.14830	6.1
189.12753	3.7
193.10153	3.6
195.11713	13.5
197.13255	14.2
199.14806	9.6
201.16403	3.5
205.10168	2.2
207.11844	3.6
207.13820	3.3
209.13309	10.7
211.14766	11.1
213.16373	8.9
221.13321	4.3
223.14862	6.4
225.16469	4.9
231.17474	2.9
235.14864	2.7
237.16479	2.7
239.18115	1.7
241.19562	6.6
247.17004	3.6
259.20615	12.4
279.16013	3.2
281.17212	6.9
297.18433	1.7
305.21896	1.8
313.21539	2.2
323.23923	3.1
333.24353	5.5
339.23059	2.1
353.24698	2.4
419.33218	4.9
429.31519	6.2
437.34317	13.4
447.32620	29.2
465.33725	26.1
483.34714	15.7
511.37759	3.2
521.36383	6.7
529.38788	5.3
539.37305	100.0
540.37958	2.7
557.38416	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39359	1.7
53.03945	3.4
55.01873	4.0
55.05518	20.3
57.03439	5.7
57.07073	7.4
63.20258	1.5
65.03946	3.7
67.05505	41.3
67.05834	3.2
67.75106	1.6
68.69969	1.5
69.07068	19.3
69.32130	6.2
69.32555	10.4
71.05003	2.4
71.08636	5.0
71.94754	1.4
77.03960	2.1
79.05502	35.2
81.03439	5.3
81.07059	44.1
81.07526	3.5
83.05003	4.2
83.08618	13.5
85.06560	4.7
85.10165	2.2
91.05489	35.1
93.07047	31.7
95.04430	1.8
95.04989	7.2
95.08610	30.5
97.06545	3.1
97.10199	5.5
98.98473	9.1
105.07031	36.0
107.04985	7.3
107.08612	19.8
109.06547	3.8
109.10159	14.0
111.08076	2.7
111.11741	2.1
115.05453	2.4
117.07021	17.6
119.08580	23.9
121.10144	12.1
122.26646	1.8
123.04446	1.8
123.08102	4.5
123.11745	5.3
125.09678	1.8
128.06250	3.3
129.07010	19.5
130.07770	1.8
131.08562	27.1
131.09375	2.0
133.06471	1.8
133.10127	18.9
135.08063	3.1
135.11697	8.4
141.07047	6.1
142.07825	3.5
143.08571	26.5
143.09700	2.1
145.06508	2.1
145.10135	26.3
145.11174	2.7
145.38438	1.8
147.08136	3.2
147.11687	15.3
149.13327	6.3
153.06970	2.2
154.07838	3.0
155.01062	9.1
155.08551	19.7
155.86154	1.8
156.09299	2.3
157.01517	2.2
157.10120	22.1
159.08064	4.0
159.11720	14.6
161.09668	2.4
161.13222	10.6
163.11223	4.0
165.07005	2.4
167.08614	8.4
168.09444	2.6
169.10126	22.4
171.11682	24.7
173.09634	3.7
173.13258	11.0
175.11244	2.1
175.14908	4.9
177.12854	2.2
181.10126	17.4
183.11679	17.2
185.13264	14.9
187.11292	4.8
187.14914	5.4
189.12758	2.3
189.16495	1.7
193.10176	3.9
194.11043	1.6
195.11710	12.1
197.13277	14.7
199.14896	6.3
201.16536	3.0
207.11920	3.4
207.13805	2.5
209.13293	10.2
211.14804	7.9
213.16467	10.4
219.11838	2.0
221.13235	3.9
223.14909	6.3
225.16391	4.9
231.17714	1.7
233.13274	2.4
235.14912	2.3
237.16458	3.9
239.18117	2.4
239.23737	1.6
240.30336	1.9
241.19551	5.8
243.21121	2.2
247.16966	3.3
259.20636	13.2
261.22229	2.4
279.15967	3.7
281.17688	6.7
287.20114	3.0
297.22275	3.3
313.27542	7.7
314.27954	2.7
315.28113	4.1
323.23825	2.2
325.21671	2.6
333.24399	6.0
335.23599	3.2
339.23184	3.4
341.24664	2.5
353.24789	2.7
377.24826	2.1
419.33359	3.4
429.31476	8.1
437.34045	11.8
447.32629	31.2
465.33786	29.5
483.34811	19.7
501.35883	4.3
511.37683	2.2
513.36023	2.1
521.36475	10.5
527.37433	2.8
529.38660	8.9
539.37384	100.0
540.38098	2.0
557.38525	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	556.9654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	7.2
69.03374	0.6
69.67954	0.5
71.58307	0.8
71.95239	0.9
97.02893	1.2
98.97582	37.4
116.98619	52.2
123.21304	0.5
134.99657	51.7
135.14282	0.5
140.00172	1.2
147.40784	0.5
153.00711	11.4
158.01254	1.5
172.94373	0.9
173.66765	0.5
174.00690	0.5
177.00908	1.2
190.95389	4.3
208.96437	3.3
214.95465	1.8
232.96436	7.8
234.99936	0.6
248.94540	0.9
250.97505	7.5
256.96396	13.4
256.98792	1.0
258.99847	2.4
260.99612	0.7
261.03046	1.6
266.95462	0.9
272.94446	0.7
274.97513	100.0
275.97717	0.9
276.98013	1.0
277.00864	4.4
279.00732	0.6
280.56165	0.6
290.95654	2.4
292.98557	95.9
293.98868	0.8
294.98868	1.0
297.99054	4.4
298.97870	0.6
301.00946	0.9
303.00970	0.8
306.93188	0.9
308.96396	0.7
310.99725	1.8
314.95584	1.3
315.06516	0.5
316.00131	2.9
316.98755	2.0
332.96677	2.6
348.94296	0.8
360.27762	0.6
390.95892	0.9
396.94458	0.9
398.97931	2.8
414.95389	24.6
416.98782	10.2
432.96457	57.7
434.99896	3.3
440.22501	0.7
450.97473	14.8
455.98196	2.8
456.96600	1.4
472.94675	1.4
474.97650	0.8
479.88068	0.5
490.95770	0.9
514.97491	3.4
556.96545	12.9
574.97284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01870	11.1
55.05511	34.0
57.03440	7.2
59.75758	1.2
65.03925	3.8
67.05506	45.5
69.03419	9.1
69.07066	22.4
69.48471	7.3
69.48874	4.1
71.04989	4.5
77.03956	1.5
79.05492	44.5
81.03420	54.1
81.07055	36.6
83.04986	6.9
83.08615	18.9
85.06537	3.2
91.05480	37.7
91.06025	2.7
93.07040	28.2
95.04973	29.4
95.08604	19.2
96.69642	1.4
97.02878	7.9
97.06529	5.7
97.10184	18.6
103.05502	2.0
105.07034	28.8
105.07691	2.4
107.04964	16.8
107.08587	16.4
109.06521	10.0
109.10165	11.7
111.04458	1.8
111.08096	5.9
115.05464	3.7
117.07021	13.4
119.08578	23.2
121.06506	7.6
121.10133	11.3
123.08081	3.5
123.11732	3.4
125.09611	13.5
128.06267	4.5
129.06993	13.4
130.07773	1.9
131.08560	17.9
133.06517	5.4
133.10127	11.4
135.08075	10.0
135.11716	3.4
137.09604	2.6
141.07001	2.3
142.07774	3.0
143.08580	7.4
143.57297	1.4
144.05678	1.4
145.06496	4.9
145.10120	12.8
147.08049	8.2
147.11716	6.6
149.09587	6.6
151.11208	1.6
153.09113	2.1
155.08617	4.8
157.06566	2.3
157.10141	9.6
159.08127	3.4
159.11705	5.6
160.12364	1.5
161.09668	3.3
163.11195	3.8
169.10126	4.3
171.08064	3.0
171.11758	3.6
173.09686	3.8
173.13293	3.5
175.11116	6.6
177.12839	1.9
181.10141	2.5
183.08113	2.2
183.11720	4.6
185.09570	3.1
185.13293	2.4
187.11160	3.6
187.14857	1.9
189.11220	9.6
189.12746	2.0
191.14384	2.0
193.12238	13.2
197.13406	2.1
199.11160	2.7
201.12744	3.4
205.12332	3.4
211.11174	3.2
217.12270	1.4
219.13774	13.0
223.13263	14.3
227.12703	10.5
249.14825	3.4
253.14308	1.6
257.15305	1.6
263.20041	1.6
265.14450	1.9
267.15945	2.8
271.16992	1.5
273.18466	11.3
275.20029	5.8
287.19965	1.6
291.19547	53.2
295.20560	2.1
297.18576	2.2
311.20053	1.9
313.21631	10.5
315.19650	2.4
347.22382	2.1
353.20853	1.7
371.22290	2.4
419.29929	1.6
421.25717	1.8
431.78290	1.6
445.25888	4.7
447.29141	3.2
465.29636	7.0
483.31018	6.5
515.43628	1.7
539.33704	22.2
557.34753	100.0
558.34894	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	556.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.4
70.06585	1.2
71.60764	1.2
79.05505	0.9
81.03403	0.7
81.07060	1.6
84.08166	1.0
85.02892	1.6
86.09705	1.6
91.05490	4.9
93.07055	5.2
94.06564	1.5
95.04971	2.4
107.08591	0.8
108.08102	2.2
109.96929	0.8
111.08088	4.6
117.07049	1.2
119.04931	0.7
119.08561	0.9
119.91223	0.7
120.08112	0.7
121.06516	2.1
122.06029	1.3
122.09681	1.0
124.07635	1.0
127.03942	1.1
132.08098	1.2
134.06017	0.7
134.09650	3.5
135.08081	2.3
135.29318	0.7
136.07585	5.2
137.06029	2.2
137.08363	0.8
138.09158	1.0
140.07144	0.9
143.05649	4.9
147.04395	1.2
148.07582	0.8
150.09187	1.2
152.07062	0.8
152.10698	2.2
154.08647	1.9
160.07611	1.0
161.05998	1.0
162.09149	21.4
162.80653	0.7
163.07552	2.6
163.49153	0.7
164.07051	1.0
166.08665	1.9
167.07103	1.6
168.10158	3.8
177.05461	0.9
180.10205	14.4
185.50050	0.7
187.08696	1.4
190.08687	2.4
193.90779	0.7
194.08211	1.0
199.08701	2.1
200.09384	1.3
202.08736	0.8
204.10323	1.4
208.09706	29.6
213.06534	1.4
213.10304	2.8
214.07343	2.4
215.08284	4.0
215.10260	0.9
218.08189	1.9
219.10121	0.8
225.06757	2.0
227.08194	2.9
228.08995	1.8
228.20175	0.8
229.09717	4.8
230.08180	1.2
230.10466	1.0
234.07623	1.2
237.10396	0.9
239.08168	3.4
241.09822	2.1
242.06845	1.6
242.10458	0.8
243.07637	4.1
243.11346	2.6
244.06004	0.7
248.09143	2.0
250.10822	3.7
251.08247	0.8
253.09766	1.8
255.07660	4.4
255.11223	1.3
257.09256	11.0
258.10034	3.9
265.09851	1.4
267.07779	1.0
267.11240	0.7
269.09222	1.6
271.10822	3.5
272.11578	1.2
273.08789	1.2
273.12338	1.4
276.08676	6.9
279.07675	1.1
281.09195	2.3
281.12292	0.8
283.10696	1.5
285.08734	10.0
287.10248	1.2
289.11816	7.8
297.08768	0.9
299.10330	3.7
302.09109	2.7
309.03976	0.9
309.08752	1.7
311.10422	1.9
315.09665	2.2
315.13242	1.2
316.10571	8.2
317.11340	72.7
325.11734	0.9
329.11197	1.8
339.09940	1.0
342.12286	1.3
343.12961	1.5
349.13809	1.1
355.13074	2.6
358.15607	1.1
369.11081	1.4
371.12210	1.3
383.12482	4.0
386.15228	1.2
414.14529	1.6
424.64938	0.9
447.15738	1.0
464.18726	1.1
474.16815	5.5
480.21497	1.4
492.17517	3.9
506.19598	2.5
524.20331	100.0
525.20575	2.3
542.21362	9.3
556.22974	22.5
556.30646	1.0
557.08813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62530	2.4
53.18596	2.3
55.05496	2.8
57.03435	6.4
63.94382	2.3
67.05510	2.9
69.03441	18.8
69.34562	3.1
69.34911	26.9
70.06607	3.8
73.02926	5.1
74.06085	2.9
81.07061	3.9
84.08150	2.7
85.02917	13.3
86.09673	3.3
87.04481	9.0
91.05486	100.0
93.07076	5.1
93.28362	2.4
95.47201	2.3
96.08147	2.9
97.02900	19.0
98.20754	3.5
115.03922	11.2
124.07624	5.1
133.04971	9.2
138.54091	2.8
143.05649	14.7
145.04845	2.9
167.07103	7.9
177.05522	2.6
187.03484	2.6
223.12299	4.4
237.10397	6.7
245.08096	5.4
249.10222	9.8
250.11139	4.2
251.11792	6.6
252.12584	2.6
264.08908	6.2
265.09723	6.7
269.08325	3.8
269.13226	2.7
277.09705	11.0
278.10532	6.3
279.11270	18.7
283.06070	5.5
293.12866	23.0
295.05984	8.9
295.14261	3.1
297.12387	18.4
305.09146	8.0
307.10806	10.9
309.12354	7.8
311.13834	3.3
312.14984	2.9
313.15439	9.4
321.12424	2.5
323.10205	2.9
325.11920	14.0
333.08710	12.0
337.11682	3.4
338.12561	4.9
339.13379	14.3
351.09778	27.9
353.14804	15.1
357.14743	4.8
366.12051	17.3
369.14514	7.3
371.15869	19.3
372.17093	3.0
383.12299	8.5
397.14322	3.0
398.14755	27.7
401.13385	8.6
406.12454	2.6
506.19391	3.3
512.24005	13.3
524.20447	7.4
538.21924	59.9
556.22803	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.05521	1.8
56.96586	2.1
57.03436	9.4
58.23125	1.9
61.02925	4.7
65.03940	2.7
67.05508	5.5
69.03465	9.2
69.07070	2.6
70.06581	3.9
71.04997	60.1
71.60649	1.7
71.61078	2.9
73.02898	2.0
75.04469	5.5
79.05507	5.9
81.03429	6.9
81.07072	4.8
83.04987	9.3
85.02912	82.0
86.09756	2.4
87.04467	4.1
91.05486	100.0
92.05823	2.5
93.07048	4.8
95.04984	3.8
95.08610	3.1
97.02902	10.8
99.04430	2.6
105.07032	4.1
107.04959	52.3
107.08589	4.6
109.02887	10.0
111.04463	6.9
116.98707	2.4
119.04959	5.5
119.08584	3.7
120.08099	2.7
121.02891	7.3
121.06542	6.8
121.10172	2.5
122.03268	3.2
123.04468	2.4
127.03931	10.4
129.05489	32.6
131.04910	3.3
133.06432	3.9
135.04436	4.2
137.05978	6.3
143.05669	34.5
144.04080	5.1
144.05997	7.4
147.04478	4.2
147.06534	15.0
149.05995	4.7
151.03928	4.1
153.05489	3.5
156.99422	2.0
161.06036	9.9
161.09616	2.4
163.03938	7.8
167.07100	7.6
175.03896	4.1
175.07486	2.7
177.05493	4.9
181.05000	2.7
187.07582	4.0
205.08484	2.4
207.06589	6.2
217.08577	2.1
223.09642	4.3
247.11040	1.8
315.13605	2.0
335.94083	2.2
400.49960	2.4
413.20789	2.6
413.37604	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	2.1
52.49818	1.7
53.03941	9.8
55.01873	27.3
55.05267	1.8
55.05513	28.4
57.03426	4.0
57.07070	2.3
65.03941	4.7
65.58047	1.6
67.05505	77.7
68.05813	1.8
69.03412	3.6
69.07069	36.5
70.20879	3.9
70.21271	4.1
70.51498	1.5
71.04980	3.5
77.03920	2.0
79.05492	75.8
81.03421	14.1
81.07056	76.5
83.04982	18.6
83.08614	13.2
85.06565	3.9
91.05479	85.9
93.07045	65.7
94.42163	1.4
95.01332	12.9
95.04969	30.1
95.08606	47.9
97.02887	1.9
97.06528	59.1
97.10173	3.6
99.22372	1.6
103.05428	2.1
105.04520	1.6
105.07028	79.8
107.04282	2.4
107.04957	25.7
107.08599	25.6
109.06546	8.4
109.10148	16.1
111.08070	4.5
113.09682	2.2
115.05483	2.2
115.07699	1.4
117.07019	20.4
119.08583	51.6
121.06535	5.2
121.10125	11.1
123.04404	1.9
123.08079	8.0
123.11681	3.5
125.09631	4.7
128.06190	4.7
129.06989	12.8
130.07820	1.7
131.08575	22.8
132.80299	1.5
133.06491	3.4
133.10130	37.8
135.08066	5.9
135.11729	11.5
137.09630	3.2
139.07549	3.1
141.06993	4.8
141.45950	1.6
143.08580	10.7
145.06464	3.8
145.10126	23.0
147.08060	2.4
147.11691	33.4
149.09608	9.1
149.13257	5.7
151.11162	1.6
155.08537	3.7
157.10104	6.9
159.11711	17.7
161.09608	5.3
161.13255	13.4
163.11171	6.8
165.09082	3.4
165.69330	1.8
169.10146	3.5
171.11676	16.3
173.13268	6.0
175.14787	2.7
177.12740	6.6
179.14301	19.7
183.11694	4.5
185.13280	2.0
187.11154	4.0
187.14883	2.7
189.12749	5.6
197.13252	2.5
205.12277	1.6
207.13756	9.7
215.18004	2.5
225.14769	3.0
229.14342	5.7
229.19453	2.5
239.17960	3.6
247.20525	4.7
257.19055	12.0
259.20648	3.4
275.20065	100.0
276.20554	1.6
279.15961	8.3
281.17453	2.2
291.19495	2.5
292.19775	4.2
293.21088	9.5
349.23776	5.4
366.23508	1.8
427.04660	1.7
463.31641	2.1
465.84204	1.6
520.33313	3.6
537.35468	3.6
555.22729	2.0
555.36792	50.9
556.37463	2.4
556.80756	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2986
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
52.34444	0.4
55.05507	0.8
59.81118	0.3
67.05501	1.1
69.03396	0.4
69.72979	2.6
73.38956	0.3
79.05509	1.0
81.03441	0.4
81.07074	0.8
91.05482	0.8
93.07043	0.7
95.08624	0.6
105.07053	0.6
107.08653	0.4
109.10149	0.7
119.01872	0.4
132.75182	0.3
133.10132	0.7
143.05632	0.7
145.10165	0.4
170.93883	0.4
174.13687	0.4
185.04224	0.4
203.05267	1.1
259.07986	0.6
285.10471	0.5
317.19687	2.2
335.20639	1.0
370.84442	0.4
391.24582	1.0
463.26202	0.5
501.54895	0.4
535.28955	0.5
553.29858	100.0
554.30487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21443	2.1
70.44668	5.9
70.45023	4.4
103.63036	2.2
113.61990	2.3
141.67012	2.1
163.02690	2.9
163.03941	8.8
207.27956	2.3
275.28418	2.5
433.29117	2.4
483.72873	2.5
553.11676	100.0
554.12061	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	553.2978
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
53.48431	0.2
55.05504	0.6
55.06886	0.2
56.76071	0.2
57.03436	0.3
67.05491	0.8
68.89064	0.3
69.07056	0.3
77.00885	0.2
79.05494	0.8
81.03408	0.4
81.07038	0.7
83.01090	0.9
83.08609	0.5
84.01864	0.2
91.05479	0.7
93.07043	0.8
95.01087	0.6
95.01899	0.3
95.04937	0.5
95.08615	0.5
96.01871	0.4
97.02819	0.2
105.07042	0.4
107.08607	0.5
109.06509	0.4
109.10133	0.4
117.07056	0.2
119.08566	0.6
121.10128	0.3
125.09512	0.2
131.08536	0.3
133.03484	0.9
133.10078	0.3
139.65704	0.3
143.05656	1.5
145.10136	0.4
151.04498	0.4
156.03844	0.4
157.04744	0.3
161.03029	0.4
167.06996	0.3
175.04541	0.2
175.06366	0.3
184.03485	0.4
185.04263	1.3
201.03703	1.2
201.06047	0.3
203.05290	2.1
217.05566	0.2
223.12752	0.3
259.08060	1.9
281.08163	0.7
299.18674	0.9
315.18130	0.6
317.19614	2.1
331.09991	2.7
335.20779	2.1
345.11804	0.4
357.13641	0.3
359.13348	0.6
359.20657	0.8
373.14835	0.6
373.22192	0.4
373.98743	0.2
377.21808	0.4
391.24414	0.9
401.17651	0.4
415.19519	1.2
441.20755	0.3
455.22781	0.5
483.21979	1.9
535.28503	0.8
553.29828	100.0
554.30524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2829
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
53.82839	0.4
55.05497	0.5
57.02614	0.5
57.03420	0.7
65.03910	0.6
67.05499	1.4
69.07071	0.6
70.73310	1.1
70.73662	0.7
79.05495	1.0
81.07056	1.5
84.23203	0.5
85.02917	0.5
91.05479	0.9
93.07030	0.8
95.08604	1.0
98.66727	0.5
105.07049	0.7
105.49000	0.5
107.04984	0.5
107.08560	1.1
109.06568	0.6
109.10144	0.8
112.64626	0.4
119.05041	0.5
119.08580	0.6
133.10146	0.6
149.02415	0.6
167.07088	0.6
169.86104	0.6
193.04955	0.9
200.18930	0.5
222.10307	0.5
259.07968	1.1
275.37634	0.5
303.05051	0.6
333.19125	1.4
351.19839	0.7
389.22937	2.1
479.26077	0.6
517.49768	0.6
551.28253	100.0
552.28406	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.4
57.03424	7.0
57.07075	41.3
64.22678	1.9
67.05500	28.9
67.13047	2.0
69.03421	4.1
69.07066	12.3
71.03375	4.4
71.04994	4.6
71.08630	24.3
79.05492	16.9
81.03418	43.5
81.07057	36.7
83.04987	9.0
83.08614	23.3
85.02908	18.3
85.06557	1.9
85.10188	16.0
91.05485	16.7
93.07046	11.1
95.04964	14.8
95.08606	28.1
96.24701	1.9
97.06539	2.0
97.10162	11.1
99.68079	2.1
105.07041	12.3
107.04992	3.2
107.08598	3.4
107.53397	2.1
109.06519	4.7
109.10162	16.9
111.04530	2.9
111.08087	5.4
111.11722	4.7
118.89073	1.9
119.08588	8.7
121.10173	8.0
123.11711	5.5
129.07018	7.0
131.08574	7.9
133.06528	2.2
133.10115	6.9
145.10089	3.0
147.08090	1.9
147.11681	9.1
149.09702	2.3
150.21344	1.8
155.29329	2.3
157.10136	6.9
165.12695	2.3
175.11217	7.8
193.12247	40.4
205.73720	1.9
211.13297	48.4
267.15897	6.1
267.26944	4.5
341.30493	4.7
496.27948	2.3
551.43085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05497	0.5
57.07053	0.3
67.05489	0.4
69.03420	1.4
69.91302	1.7
70.06586	2.8
71.04961	0.4
74.06073	0.4
74.12059	0.3
79.05479	0.7
81.03396	1.2
81.07039	0.8
83.04975	2.6
85.02901	1.9
86.09689	0.9
87.06727	3.3
89.29005	0.3
91.05462	1.5
93.07023	0.8
95.04939	0.8
97.02912	1.4
105.07010	1.2
107.04954	1.0
107.08597	4.3
109.02853	0.8
109.06521	0.7
109.10173	0.4
109.76409	0.3
115.05508	0.3
117.07040	0.5
119.04925	0.5
119.08563	1.1
120.08103	0.9
121.06487	1.0
121.10092	0.3
123.04411	0.4
127.03921	0.8
128.06218	0.3
131.04959	0.6
131.08560	0.6
133.06461	0.3
133.10133	0.6
135.04355	0.5
135.08049	7.3
137.05995	0.9
141.04109	0.5
143.05641	100.0
144.05907	0.5
145.02817	0.5
145.04883	0.3
145.06493	0.7
145.10135	0.4
147.04401	0.9
147.08069	0.8
149.05951	0.7
153.01825	1.2
159.08035	0.7
159.11707	0.8
161.05920	0.5
161.09659	0.5
161.13168	0.4
162.17024	0.4
163.07498	2.0
167.07059	3.5
173.06026	0.4
173.13278	0.6
175.03903	0.7
175.07578	0.6
177.05484	1.2
181.04971	0.4
183.14992	0.6
185.09576	0.3
186.10478	0.5
187.07419	0.5
187.11160	0.6
188.08163	0.3
189.08932	0.4
191.06972	0.5
193.08592	0.5
201.05537	0.5
201.12784	0.6
205.12276	0.9
207.06569	0.9
212.16641	0.3
219.13782	2.3
223.07454	0.4
224.18562	0.3
229.04909	0.7
229.12234	1.0
234.06715	0.4
237.09146	0.4
239.06975	0.4
239.33853	0.3
247.13379	1.7
249.08984	0.5
252.07527	0.3
257.04483	0.9
259.06158	1.1
265.08609	0.3
275.05511	0.3
278.08994	0.5
281.07507	0.3
283.06012	0.3
285.04028	1.4
285.06714	0.4
287.09900	0.7
303.04980	10.4
303.08279	0.7
304.05444	0.7
305.10974	2.4
310.11618	0.6
320.10361	0.4
321.10812	0.6
322.11517	0.8
325.10739	0.4
338.11194	0.6
339.08109	0.5
339.12152	1.2
340.12686	1.6
341.13531	0.5
353.13440	0.7
356.12195	0.7
370.14203	1.2
371.14468	3.8
405.11020	0.9
409.18649	1.1
551.23572	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	551.1032
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03949	1.8
55.01618	0.2
55.01869	1.9
55.05494	0.2
56.41676	0.1
57.03437	1.2
61.02930	1.1
65.03932	0.2
67.01854	0.2
68.99787	1.6
69.03430	7.4
69.39873	1.3
71.01348	0.2
71.04991	1.1
73.02921	1.9
81.03418	9.1
83.01330	0.1
83.04986	0.1
83.42543	0.1
85.02905	13.5
87.00830	5.9
87.04458	0.2
91.03945	0.6
91.05435	0.2
91.60748	0.1
93.03391	0.1
95.04941	0.4
97.02889	4.7
97.03516	0.3
99.04454	2.9
101.02373	0.1
103.05500	0.1
105.01868	3.1
107.04955	0.2
109.02876	7.4
111.00809	1.2
112.17505	0.1
115.03925	0.2
117.01870	1.2
121.02868	1.0
123.04406	0.3
127.03917	10.3
129.01857	0.9
131.04893	0.2
135.04456	0.3
137.02330	3.3
137.05980	0.3
139.42667	0.1
143.05688	0.8
145.02937	0.2
145.04961	2.9
145.06224	0.2
147.02856	0.6
147.04459	0.3
149.02333	0.5
153.01811	4.5
153.02991	0.3
155.04834	0.2
159.02890	4.4
159.04178	0.2
161.05974	0.2
163.03932	1.1
165.01852	2.0
166.02592	0.2
167.07051	0.5
173.06007	0.5
177.05450	0.3
183.02875	0.9
183.04366	0.3
187.03914	0.2
193.08516	0.1
201.05447	1.7
205.05029	0.2
207.06355	0.2
213.05592	0.2
219.02927	0.2
219.06493	0.3
228.04163	0.1
229.04973	4.2
231.05029	1.1
233.04614	0.1
246.05098	0.2
247.06006	0.6
257.04456	2.5
274.04715	0.8
275.05579	0.2
285.03912	1.5
303.04987	100.0
304.05240	0.9
345.06030	0.4
551.18726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24398	0.1
53.03948	0.2
55.01875	0.4
55.05514	0.2
56.05027	0.2
57.03435	0.3
60.32465	0.2
67.05495	0.2
68.99787	0.4
69.03420	0.9
70.06591	1.9
70.68611	0.1
71.05017	0.2
71.60890	0.3
72.08158	0.3
79.05490	0.4
81.03413	0.7
81.07067	0.3
83.04951	0.2
84.04507	0.3
84.08139	0.3
85.02911	1.0
86.09708	0.8
87.00784	0.2
87.04457	0.2
89.03886	0.2
91.03942	0.2
91.05474	0.5
95.01313	0.3
95.04974	0.3
95.67324	0.2
97.02882	0.8
97.06466	0.2
99.04426	0.3
105.07045	0.3
107.04950	0.3
109.02872	0.6
109.06522	0.2
117.03393	0.3
119.04984	0.2
120.08123	0.5
121.02850	0.2
123.00797	1.6
123.04418	0.5
124.07596	0.2
127.03912	1.1
127.08686	0.4
131.08594	0.2
133.02856	0.2
135.04416	2.0
136.07562	0.8
137.02325	2.2
137.05975	0.9
141.01830	0.5
143.05666	1.9
145.02876	0.5
145.04964	0.4
147.04410	0.4
149.05963	0.2
151.03917	0.8
153.00574	0.2
153.01826	4.8
153.05493	0.2
155.08226	0.3
161.02351	0.2
161.06023	0.3
163.03941	0.3
164.07083	0.6
165.01929	0.4
167.07060	2.0
169.01326	1.8
173.05981	0.4
175.07515	0.2
177.05453	1.0
183.02971	0.3
183.14981	0.4
187.03944	0.2
201.05527	0.6
203.03479	0.3
205.04945	0.5
211.03896	0.2
211.14333	0.2
219.06503	0.2
229.04968	2.7
231.06606	0.2
233.04471	0.3
245.04460	0.5
247.05934	0.4
253.88968	0.2
257.01773	0.3
257.04465	5.6
259.06024	2.5
261.03946	0.5
271.05997	0.2
274.04636	0.2
275.05460	2.0
283.05872	0.3
284.06622	0.3
285.03940	4.4
285.06723	0.2
286.04684	0.3
286.17642	0.2
287.05460	0.7
302.03986	0.4
303.04993	100.0
304.05319	0.9
313.07208	0.4
315.07932	0.4
368.08536	0.3
369.08902	0.4
387.09885	0.2
403.10172	0.3
404.10510	0.5
405.10721	0.8
465.10605	0.4
533.09186	0.2
551.09851	0.6
551.17859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01886	1.8
57.03421	2.4
61.02930	2.4
67.05527	1.4
69.03432	12.8
70.06577	2.6
70.95713	4.0
71.04992	5.1
73.02919	2.1
76.02180	1.9
81.03413	13.6
81.07053	3.1
85.02910	70.4
91.05482	4.4
93.07050	1.4
95.04992	1.7
95.08614	1.8
97.02895	21.6
99.04454	39.7
103.03944	97.5
105.07040	2.5
107.04951	2.2
109.02885	15.9
109.06511	2.4
109.10142	2.0
117.05506	1.2
119.08571	2.0
120.08086	2.0
121.10152	3.9
123.04379	1.6
125.05964	1.5
127.03922	100.0
133.10138	2.9
136.06216	1.6
136.62685	1.3
137.05971	16.5
138.06364	3.5
143.05644	5.6
145.04961	63.6
149.13150	1.6
151.07477	1.7
163.06027	83.1
167.07051	17.6
168.07393	4.8
177.05461	3.3
181.04968	3.0
187.06004	6.0
191.14296	2.9
198.31157	1.5
205.07112	5.1
207.06430	1.8
209.15405	5.6
227.16455	8.8
231.07997	1.5
271.05685	3.0
271.08109	4.6
289.09052	6.8
301.07031	2.8
302.07431	4.7
307.10251	21.0
324.38538	1.5
339.11423	1.6
358.13513	1.9
370.14047	5.1
371.14932	2.5
510.30392	1.5
550.19995	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	550.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05511	12.6
57.03420	4.1
57.07072	3.2
60.08162	4.4
61.02945	3.2
65.67736	2.3
67.05506	20.6
69.03436	15.2
69.06730	3.5
69.07074	45.3
70.06586	2.7
71.04992	6.1
79.05488	19.3
81.03400	9.8
81.07063	68.1
83.04986	11.4
83.08613	9.0
84.83102	2.6
85.02911	12.4
85.06517	2.8
86.09717	25.1
91.05484	20.3
93.07052	31.6
95.04974	9.7
95.08608	35.6
97.02883	9.8
97.06548	10.2
98.98439	3.8
99.04482	5.4
99.08102	12.7
103.05534	3.2
104.10755	17.9
105.07040	42.9
107.05004	2.6
107.08604	34.7
108.79379	2.5
109.02871	10.3
109.06551	14.5
109.09602	3.0
109.10179	36.6
111.06466	2.2
111.11721	9.1
117.03394	5.3
117.06998	3.0
119.04948	6.2
119.08582	24.6
119.62409	2.5
121.06504	5.7
121.10126	20.8
122.05992	3.6
123.04464	5.7
123.08071	8.9
123.11725	26.7
124.99995	13.4
125.09631	7.4
127.03898	8.0
127.07574	5.3
127.11186	18.0
128.06212	3.1
129.07024	3.0
131.04947	3.8
131.08563	6.6
133.06488	2.5
133.10133	14.6
135.04460	2.8
135.08130	4.4
135.11693	16.1
137.05975	22.5
137.09560	4.7
137.13261	5.9
138.06320	3.9
139.11176	8.1
143.05620	3.8
143.08498	3.1
145.02835	12.4
145.04945	5.3
145.10159	8.3
146.03223	3.0
147.04405	6.5
147.11710	51.8
149.05971	5.0
149.09595	7.7
149.13254	7.2
151.03903	3.8
151.11191	10.8
157.10098	5.4
157.12282	4.0
159.11668	8.0
161.05928	2.6
161.13257	24.8
163.14824	3.4
165.12743	34.4
167.07068	77.2
167.10709	3.2
168.07372	24.3
171.11737	4.7
173.13164	2.9
175.03976	3.2
175.11127	8.6
175.14806	3.2
175.68115	2.6
177.05450	30.0
178.05858	6.0
179.14317	12.0
183.11636	2.7
183.13855	3.3
184.07362	60.9
184.08972	3.1
189.12755	4.3
191.10333	2.7
193.08565	3.9
193.12238	23.7
195.13739	3.4
205.15762	3.0
207.06566	9.3
207.13843	26.0
207.17537	3.0
211.09666	4.5
229.14418	23.7
237.18452	12.3
243.15977	31.4
255.19528	20.8
287.05420	6.9
299.23685	7.6
302.07388	4.7
317.24728	20.2
335.25830	91.5
353.26889	100.0
371.28073	15.0
375.64703	2.8
446.18927	3.2
501.69229	3.0
532.30371	3.0
550.31158	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	550.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68943	0.3
51.02359	0.4
53.03944	0.3
53.80588	0.3
55.01859	0.5
64.21951	0.3
65.03946	0.8
69.03430	12.6
70.06580	1.1
71.60066	0.6
76.06532	0.3
76.45203	0.3
77.03942	0.6
81.03430	0.4
85.02898	1.5
89.03932	0.6
91.05482	22.9
93.07038	0.3
95.04971	3.0
97.02883	1.4
98.94297	0.3
98.97631	0.3
99.04435	0.5
103.05462	0.8
105.03407	0.5
107.04959	1.3
109.02848	0.8
115.05469	0.3
118.06553	0.4
119.04945	37.9
121.02898	0.6
121.06488	0.8
123.04427	10.9
127.03920	5.6
128.01799	0.3
128.07083	0.3
129.03406	0.4
131.04929	0.6
132.02052	0.6
133.02803	0.7
133.06544	0.4
136.07584	27.9
137.05984	1.0
143.05663	0.7
145.02858	1.3
147.04410	33.7
149.02364	0.8
149.05966	0.5
151.03894	0.5
157.03952	2.5
162.03174	0.4
163.03903	1.1
164.04684	0.9
165.05479	20.2
167.07024	1.2
175.03911	53.3
176.04308	0.4
177.05470	1.9
179.03397	0.4
179.07050	2.5
182.08134	28.2
191.07001	0.6
192.04306	0.6
207.06529	100.0
208.06825	0.8
219.06589	0.7
225.07538	1.3
235.05949	0.5
248.09138	0.6
261.07526	0.5
263.09042	0.7
291.08713	1.3
303.08737	0.4
304.16122	0.4
321.09875	0.5
351.06784	0.5
351.10764	6.9
369.11804	8.5
371.41739	0.4
550.16052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01870	0.9
57.03421	0.7
58.73756	0.5
65.03951	0.8
69.03078	1.0
69.03428	11.8
69.46333	4.6
70.06585	1.5
72.08109	0.8
79.05492	0.9
80.98705	0.5
81.03421	1.2
84.08141	0.7
85.02885	1.9
86.06064	0.7
87.04480	0.6
91.05485	20.9
95.04952	2.3
97.02894	2.6
98.97545	0.6
99.04502	0.5
103.05455	1.5
104.07123	0.6
105.03365	0.7
107.04951	0.7
108.76445	0.5
109.02885	0.7
111.04495	0.6
117.03378	0.8
119.04948	32.8
121.02871	0.9
123.04408	6.5
127.03928	6.0
132.02075	1.3
133.02850	0.7
134.25792	0.6
136.07581	14.4
137.05946	1.1
137.66365	0.6
142.81955	0.5
143.05675	1.3
145.02838	2.3
147.04413	33.4
149.02338	0.8
149.05995	0.6
157.03970	2.5
161.05966	1.1
163.03813	0.7
164.04596	0.8
165.05472	9.7
167.07002	2.5
169.06461	0.6
175.03915	51.2
177.05515	4.0
179.07030	2.2
182.08138	23.2
189.05394	0.8
192.04298	0.7
195.06641	0.8
207.06538	100.0
208.06784	0.7
208.14189	0.7
219.06413	0.7
225.07567	1.5
261.07501	0.7
263.09180	1.0
291.08600	1.9
313.31433	0.6
351.10803	7.5
369.11841	10.8
372.77753	0.5
376.09302	0.6
402.09650	0.6
430.29849	0.7
514.13678	0.8
550.16595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.01863	6.9
55.05511	26.8
55.74924	2.9
57.03432	11.1
57.07056	8.8
57.53118	3.1
65.03932	3.7
67.05502	100.0
69.03410	5.5
69.07063	37.0
71.04984	7.9
71.08624	5.3
71.52184	3.1
79.05489	51.4
81.03422	20.4
81.07059	93.7
83.04977	10.6
83.08620	26.0
85.02901	10.5
85.06532	10.0
88.11844	2.7
91.05484	59.4
91.37782	2.8
93.06474	4.6
93.07040	60.8
95.04957	16.6
95.08604	62.1
97.06512	5.1
97.10146	7.4
105.07030	53.1
107.04961	4.1
107.08591	52.6
109.06532	8.1
109.10152	74.5
111.08071	5.9
111.11713	4.4
117.07036	5.5
119.08569	21.2
121.10123	20.3
123.08109	4.8
123.11710	17.5
125.09604	5.1
129.07024	6.8
130.59575	3.2
131.08575	14.4
133.10130	73.9
135.08047	3.1
135.11676	16.7
137.13237	4.8
145.10135	8.9
147.11690	11.6
149.13246	7.5
151.11198	35.0
157.10136	5.9
159.11649	6.7
161.13249	6.3
169.12247	10.7
173.13306	3.8
175.11177	4.0
187.14844	4.4
193.12242	23.5
202.47031	3.1
211.13329	19.3
215.12730	6.8
222.29776	2.7
243.21078	7.5
249.10060	3.0
253.14345	83.2
261.22141	29.1
271.15399	38.2
278.01239	2.7
279.23257	4.6
288.46967	2.7
317.24814	7.6
335.25790	30.0
339.28964	3.2
439.31638	4.4
457.33286	3.3
513.35443	11.2
531.36096	14.9
549.42047	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.6
55.01863	6.9
55.05511	26.8
55.74924	2.9
57.03432	11.1
57.07056	8.8
57.53118	3.1
65.03932	3.7
67.05502	100.0
69.03410	5.5
69.07063	37.0
71.04984	7.9
71.08624	5.3
71.52184	3.1
79.05489	51.4
81.03422	20.4
81.07059	93.7
83.04977	10.6
83.08620	26.0
85.02901	10.5
85.06532	10.0
88.11844	2.7
91.05484	59.4
91.37782	2.8
93.06474	4.6
93.07040	60.8
95.04957	16.6
95.08604	62.1
97.06512	5.1
97.10146	7.4
105.07030	53.1
107.04961	4.1
107.08591	52.6
109.06532	8.1
109.10152	74.5
111.08071	5.9
111.11713	4.4
117.07036	5.5
119.08569	21.2
121.10123	20.3
123.08109	4.8
123.11710	17.5
125.09604	5.1
129.07024	6.8
130.59575	3.2
131.08575	14.4
133.10130	73.9
135.08047	3.1
135.11676	16.7
137.13237	4.8
145.10135	8.9
147.11690	11.6
149.13246	7.5
151.11198	35.0
157.10136	5.9
159.11649	6.7
161.13249	6.3
169.12247	10.7
173.13306	3.8
175.11177	4.0
187.14844	4.4
193.12242	23.5
202.47031	3.1
211.13329	19.3
215.12730	6.8
222.29776	2.7
243.21078	7.5
249.10060	3.0
253.14345	83.2
261.22141	29.1
271.15399	38.2
278.01239	2.7
279.23257	4.6
288.46967	2.7
317.24814	7.6
335.25790	30.0
339.28964	3.2
439.31638	4.4
457.33286	3.3
513.35443	11.2
531.36096	14.9
549.42047	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84308	3.9
55.05514	22.1
57.03428	5.8
57.07056	4.1
65.03911	5.9
67.05502	82.0
69.07059	19.4
69.37107	18.3
69.37533	17.6
71.04967	6.1
79.05495	54.9
81.07059	64.6
81.31060	3.5
83.04974	8.0
83.08632	10.2
85.06530	4.4
91.05478	76.2
93.07047	54.3
95.04956	17.8
95.08598	41.1
105.07037	45.2
107.08593	36.9
109.06551	4.9
109.10141	48.1
117.07014	12.7
119.08582	24.2
121.10120	21.5
123.11691	11.9
128.06255	6.7
129.06978	4.0
131.08575	11.8
133.10126	100.0
133.11090	7.4
135.11688	14.4
137.09587	4.9
143.08556	9.6
145.10175	9.1
147.11725	6.9
151.11174	40.2
159.11656	5.4
161.09624	26.2
169.12277	10.8
173.11789	6.2
173.13266	8.4
179.10686	23.9
197.11746	7.9
205.29326	3.4
215.12752	36.4
227.16444	6.5
243.21130	4.1
253.14304	19.2
261.22171	12.2
263.05295	3.7
271.15396	31.7
281.72711	3.8
301.06979	4.8
335.25882	14.6
408.32681	4.0
447.29590	3.7
531.37238	12.5
549.38147	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	549.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36202	0.8
55.01873	1.1
56.05039	1.1
67.05512	0.9
69.03419	2.1
70.06584	3.3
71.04990	1.0
71.60649	1.4
72.08150	0.8
81.03398	2.0
81.07056	0.9
84.08111	1.0
85.02888	2.6
86.09698	1.3
86.96137	0.8
91.05473	1.6
94.06567	1.8
95.04952	1.2
105.07018	1.2
107.04959	1.2
109.02884	1.4
119.04900	1.1
119.08566	0.9
119.66682	0.8
121.02869	3.5
121.06474	1.0
122.06043	0.8
123.04443	0.9
127.03954	1.1
133.06415	1.1
137.02368	0.7
137.05977	3.3
138.01500	0.6
140.07094	1.0
143.05641	5.1
145.02867	2.2
146.06013	1.2
147.04433	0.9
151.03918	1.3
161.05971	0.9
163.03951	1.1
167.07056	8.5
171.86426	0.7
175.03947	1.0
177.05505	4.0
178.05038	2.5
181.04979	3.1
182.05313	1.8
186.97583	0.7
191.05774	1.0
195.02930	1.0
196.11324	1.0
197.10760	2.1
198.07883	1.7
198.11560	1.0
199.08669	9.0
200.09457	0.8
201.10248	0.9
206.04497	2.6
207.04791	1.5
207.06564	1.3
211.08600	10.7
211.12239	1.5
212.09396	4.0
213.10234	11.2
214.07495	1.1
214.11015	1.6
215.11815	0.9
216.64063	0.8
219.10243	2.1
223.12390	0.9
225.10228	20.8
226.07391	10.1
226.10887	8.1
227.08163	14.3
227.11682	8.0
228.08913	1.0
233.09322	0.9
239.08127	2.8
239.11806	11.1
240.08934	2.4
240.12529	6.4
241.09717	16.1
241.13364	2.3
242.10489	11.5
242.14137	1.3
251.11906	2.1
252.08777	1.8
253.09668	12.8
254.10468	3.2
255.11275	14.8
257.12845	33.6
265.09790	1.3
267.11307	16.7
268.08755	1.7
268.12012	13.8
269.09326	1.8
269.12848	3.4
271.10840	1.2
273.12375	0.8
279.06613	1.3
280.12097	2.8
281.09268	2.7
283.10919	2.2
284.11542	2.4
285.12308	8.1
286.09668	1.1
286.13022	2.9
295.06030	1.3
295.10800	10.1
296.06314	2.1
296.11536	15.1
297.06784	2.4
297.12354	4.1
298.13123	1.6
299.10010	0.9
301.07181	2.3
307.06192	0.9
308.06552	1.0
309.07028	2.6
313.11801	50.6
314.12534	23.4
315.13333	1.1
319.09406	1.1
321.07645	1.8
323.09482	1.0
324.10922	1.3
326.07458	1.1
327.07526	1.7
339.07941	1.4
341.11310	4.5
342.12109	33.6
343.12799	1.5
345.14606	1.2
350.07462	0.9
351.08023	2.6
355.12918	1.9
356.13751	1.3
363.08414	2.1
373.14008	14.3
374.14429	11.7
379.08188	1.0
381.08936	3.0
393.08987	1.2
397.14114	0.9
399.09781	2.4
401.09476	1.8
401.14114	1.6
411.11249	1.3
417.12650	1.0
429.12909	3.2
433.16312	2.0
441.10995	1.2
443.14636	8.1
453.11050	2.6
455.14304	2.2
457.12302	3.1
459.11694	2.1
461.15460	1.1
471.13773	6.6
473.15378	5.9
475.13315	0.8
477.11411	1.1
483.12094	1.6
489.15021	46.1
490.15048	0.9
495.12039	3.2
499.13361	2.6
513.13342	2.9
517.14502	58.0
518.15070	1.1
531.14465	4.9
549.17090	100.0
550.17480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1602
Annotation	Isohemsleyanoside
Peak:m/z	Relative Intensity
53.25144	1.0
55.01866	3.3
57.03437	6.5
61.99007	0.8
68.99820	1.7
69.03413	2.0
70.06611	1.0
70.97172	1.8
70.97510	2.3
71.04592	2.1
71.04993	41.9
75.04488	2.0
83.04993	1.5
85.02907	42.2
87.04483	1.7
91.05479	1.7
97.02875	2.2
99.04437	1.5
103.03939	1.7
103.18089	1.0
111.04445	1.7
119.04939	2.0
121.02865	14.9
129.05498	7.3
137.06026	3.5
141.01805	1.2
145.02850	3.8
147.04449	1.3
147.06587	1.3
163.03929	4.2
165.01846	8.1
167.03447	2.5
167.07060	6.4
175.03990	1.9
175.07468	1.1
177.05452	1.4
181.04968	1.5
183.02899	5.1
195.02982	2.4
201.51971	1.1
203.03410	3.3
207.06503	1.5
221.04454	1.2
229.04903	2.4
249.03941	1.7
267.06516	7.7
270.05295	2.1
271.06012	6.4
279.06586	3.2
281.08142	9.5
283.06012	93.2
284.06699	9.6
286.04761	2.1
293.07983	5.3
295.06018	14.4
297.07523	13.3
301.07047	8.7
305.08109	2.4
307.05997	4.0
309.04221	1.5
309.07556	24.8
311.05768	1.1
311.09213	3.9
313.07050	74.0
321.03799	2.0
321.07571	40.8
323.05710	1.3
323.09171	1.3
325.07056	9.2
336.06357	1.2
337.07034	48.5
339.08600	6.2
349.07080	47.2
367.08124	100.0
368.08289	2.4
385.09204	45.1
386.09793	1.2
403.10245	81.6
495.12589	1.4
513.13818	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53186	1.0
55.01873	2.5
57.03437	3.6
59.63261	0.9
63.04523	1.0
68.99789	1.2
69.03431	3.9
69.41473	2.7
69.41891	6.0
70.07405	0.9
71.04638	1.7
71.04994	19.0
73.02900	1.2
79.05492	1.2
81.03396	1.9
81.07062	1.2
83.04948	1.6
85.02901	23.2
86.09702	1.5
89.03883	1.1
91.05476	2.7
93.07050	1.0
95.04966	2.6
97.02907	2.3
103.05444	1.6
105.07023	1.4
107.04942	2.8
109.02888	1.9
111.04431	1.4
111.59693	0.9
119.04970	3.0
121.02854	14.1
121.06506	1.2
123.04469	2.5
127.03944	2.3
129.05484	3.0
131.04962	1.7
133.06570	1.1
135.04445	1.1
137.05952	6.5
138.68744	1.3
141.01761	1.1
143.05692	2.6
145.02837	6.3
145.10094	1.2
147.04463	2.9
149.06018	2.4
151.03880	1.3
161.05998	2.1
163.03915	4.0
163.07599	1.2
164.65901	1.2
165.01863	2.5
165.05482	1.3
167.07033	28.5
167.08415	2.0
173.34192	1.1
175.03915	1.8
175.07576	1.1
177.05472	10.5
177.09077	1.0
179.03450	1.6
179.07147	1.1
181.04955	1.8
181.08601	1.1
183.02928	2.8
183.06529	1.4
187.03947	2.4
191.03346	1.0
191.07057	2.3
193.08702	1.3
195.02863	1.8
199.16638	0.9
201.05518	1.5
203.03357	2.6
205.05035	1.3
207.02930	1.9
207.06544	3.6
209.08229	1.7
211.09618	1.8
213.05463	1.4
221.04564	1.7
231.02805	1.6
249.03932	1.4
255.06593	1.4
256.07455	1.6
267.06555	2.7
270.05130	1.3
271.06024	12.5
273.03949	2.9
277.08731	1.8
279.06619	2.6
281.08096	6.5
281.10934	0.9
283.06009	63.6
284.06775	16.4
287.05606	1.7
293.08206	3.8
294.05478	1.2
295.06046	14.5
297.07596	13.8
301.03629	1.8
301.07104	5.7
305.08142	2.3
307.06131	6.4
308.06873	2.8
309.07535	22.6
309.10992	1.4
311.05609	1.9
311.09204	4.0
313.07043	53.5
321.07596	20.6
321.11160	2.3
322.08313	1.6
325.07043	11.3
333.07568	1.0
335.09232	1.6
337.07053	55.5
337.10410	2.0
338.07092	1.8
339.08493	5.1
343.08112	7.5
349.07050	26.8
351.08487	2.1
357.13010	1.3
363.08609	3.0
367.08121	76.2
368.08481	2.0
369.13034	2.9
370.13937	2.7
373.07123	1.5
379.08102	4.6
385.09189	27.5
387.10461	1.3
391.08289	4.7
393.09540	2.4
403.10239	100.0
404.10846	1.4
409.09253	7.1
411.10791	2.9
427.10385	2.8
459.10458	1.2
465.11768	2.2
477.11877	1.6
483.12988	3.0
495.12961	6.1
513.13501	3.2
531.14398	1.9
549.15649	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	549.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
63.22071	0.2
65.03936	0.2
66.10697	0.2
67.01839	0.5
68.99781	0.4
69.03409	0.5
70.06370	0.6
75.57946	0.2
79.05474	0.3
81.03394	0.4
81.07058	0.2
85.02899	1.1
87.89829	0.2
89.05999	0.8
91.05490	0.9
93.07018	0.2
97.02877	0.6
98.20725	0.3
102.97287	0.2
103.03957	0.2
105.06998	0.2
109.02831	0.5
117.03375	0.3
119.04937	1.4
121.02849	0.7
121.06448	0.2
123.04448	0.3
127.03897	0.7
129.10257	0.2
131.04868	0.3
137.05975	1.0
143.05635	1.0
145.02826	1.5
145.04886	0.3
147.04422	0.3
147.11652	0.2
151.03786	0.2
153.01830	3.7
161.05956	0.3
163.03922	0.3
167.07033	4.8
171.02930	1.0
173.05919	0.2
175.03870	0.3
177.05460	1.7
193.08540	0.3
197.06070	0.2
202.67696	0.2
203.07085	0.2
207.06564	0.3
225.05321	0.2
229.04912	0.5
243.06543	0.3
247.06128	0.2
258.05249	10.8
271.06006	100.0
272.06253	1.3
283.05902	0.4
286.04718	23.5
287.05240	0.7
301.07068	61.7
302.07272	1.4
549.15900	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33276	0.1
51.38730	0.1
51.83490	0.1
53.15077	0.1
58.42162	0.1
67.01870	0.5
68.99812	0.4
69.87849	0.7
69.88264	0.3
71.04998	0.3
85.02882	0.8
91.05477	0.3
97.02900	0.2
101.46937	0.2
119.04943	1.6
121.02856	0.5
121.23103	0.2
129.01900	0.2
137.06003	0.4
145.02834	0.6
153.01831	4.5
163.03888	0.4
167.07047	1.3
171.02876	0.6
177.05467	0.5
187.03827	0.2
187.07439	0.2
225.05511	0.4
229.04947	0.6
232.67982	0.2
243.06516	0.4
258.05258	4.1
271.06015	100.0
272.06345	1.5
286.01508	0.4
286.04718	10.3
287.05466	4.3
301.07074	36.2
302.07458	0.8
369.09598	0.2
463.12558	0.8
549.12726	0.7
567.92371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1242
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
69.03396	0.1
69.79388	0.2
69.79790	0.4
98.20808	0.2
100.11065	0.1
104.68563	0.1
109.02845	0.2
126.25605	0.1
127.03882	0.1
130.95580	0.1
149.05986	0.2
151.03868	0.2
153.01854	0.7
167.07048	0.2
171.02878	0.3
224.38962	0.1
229.04962	0.3
257.04529	0.2
258.05240	18.5
259.05609	0.3
269.04337	0.2
276.93860	0.1
286.04715	43.2
287.05002	0.4
301.07059	100.0
302.07504	1.0
305.60565	0.1
320.00949	0.1
419.32803	0.1
463.12347	1.8
505.13196	0.2
531.11218	0.2
549.12408	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	549.1247
Annotation	Kaempferol 7-(6''-p-succinylglucoside)
Peak:m/z	Relative Intensity
50.94683	0.1
53.03925	0.2
53.09922	0.1
54.28382	0.1
55.01857	0.2
55.05504	0.4
57.03444	0.8
59.04985	0.3
61.69685	0.1
66.46966	0.2
67.01855	0.5
67.05508	0.9
68.99793	0.5
69.03429	1.0
69.07069	0.6
69.29212	0.6
69.29643	0.8
70.06586	0.4
71.01345	0.5
71.04990	0.6
73.02916	0.3
75.04482	0.3
79.05490	1.0
79.77721	0.1
80.90897	0.1
81.03420	0.3
81.07059	2.5
83.04987	0.3
83.08605	0.2
85.02906	1.7
85.06538	0.3
87.04462	0.5
89.03924	0.3
89.31380	0.1
91.05474	1.4
92.05140	0.1
93.07044	0.8
95.04948	0.4
95.08624	0.7
97.02887	1.0
97.06528	0.4
98.05148	0.1
99.00809	0.3
99.04459	0.5
101.02345	0.4
103.03910	0.3
103.05460	0.2
105.07036	1.4
107.04970	0.2
107.08577	0.7
109.02866	0.5
109.06509	0.4
111.04475	0.3
113.02361	0.5
117.03398	0.6
119.03410	0.3
119.04949	0.6
119.08580	1.2
121.02867	0.3
121.06478	0.4
121.10096	0.7
123.04427	0.7
123.08074	0.3
123.11708	0.8
124.05220	0.1
127.03925	0.5
127.07578	0.2
129.01852	0.1
129.07005	0.2
131.04915	0.3
131.08528	0.2
133.02840	0.3
133.06525	0.2
133.10146	0.3
135.04436	1.6
137.02298	0.4
137.05969	1.6
141.01865	0.2
143.05635	0.5
145.02881	1.2
147.04410	0.4
147.11699	3.2
147.12823	0.3
149.06000	0.4
151.03894	0.9
153.00606	0.2
153.01836	5.1
157.10132	0.3
161.02353	0.7
161.05998	0.4
163.03958	0.3
163.11238	0.1
165.05521	0.4
165.12767	1.7
167.07050	8.2
171.02914	1.0
171.06473	0.1
173.04520	0.2
175.03920	0.3
175.07576	0.1
175.11211	0.2
177.05475	2.7
179.03413	0.3
179.07069	0.1
181.08656	0.1
183.13817	0.3
191.07097	0.2
193.08577	0.3
193.12215	0.2
207.06465	0.7
208.06935	0.2
211.09668	0.4
213.05423	0.2
215.05441	0.2
217.04996	0.2
219.06592	0.2
219.10181	0.7
229.14392	0.8
241.04916	0.7
255.06479	1.3
258.05267	0.5
259.06161	0.2
267.15939	2.5
269.04510	0.5
271.06021	20.5
285.16971	1.8
286.04712	1.9
287.05502	100.0
288.05814	0.9
301.07059	4.8
339.10968	0.6
341.19543	0.6
359.20615	1.2
371.14886	0.5
449.10504	0.6
517.09729	0.3
517.18451	0.3
548.34760	0.7
549.12439	2.1
549.20123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.05315	2.2
55.05510	22.5
57.03442	23.2
57.07080	3.0
61.02911	6.2
67.05502	49.0
69.03413	4.8
69.07063	16.7
71.04985	3.8
71.60661	4.9
79.05058	4.1
79.05486	42.2
81.07053	65.7
83.04993	3.4
83.08605	10.0
85.02892	8.5
85.06533	6.9
91.05481	43.0
93.06472	4.6
93.07039	65.9
95.04942	6.9
95.08601	48.0
97.02861	7.0
97.06520	5.4
97.10157	6.2
99.08076	4.7
105.07027	43.3
107.04897	2.7
107.08586	46.1
109.06519	4.7
109.10151	15.4
111.08083	4.4
117.07005	11.5
119.08582	38.6
121.06525	3.9
121.10130	34.9
123.08028	4.0
123.11698	5.8
129.07028	4.3
131.08553	27.3
133.10112	36.4
134.20892	2.5
135.11696	32.2
143.08569	9.2
145.10092	19.2
147.11691	24.6
149.09625	3.0
149.13235	17.7
157.10123	7.5
159.11653	17.4
161.13231	14.7
163.11156	3.0
163.14830	6.3
171.11729	9.3
173.13258	9.7
175.14822	7.0
177.12770	6.6
185.13310	5.0
187.14838	14.0
199.14780	6.3
201.16455	5.5
203.14293	3.3
205.15880	6.3
219.17491	7.1
234.17476	2.6
241.19576	15.4
259.20584	37.1
269.17459	10.4
277.21585	33.6
277.24301	3.4
294.88757	2.8
333.24377	5.9
351.25281	100.0
495.29892	3.4
495.58536	3.0
513.30463	5.1
540.08820	2.6
559.78528	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	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.5
55.05513	22.5
57.03438	19.9
61.02922	11.4
67.05506	63.4
69.03425	11.4
69.07062	18.8
69.32101	3.9
79.05489	60.0
81.03426	8.5
81.07056	65.3
83.04961	4.9
83.08626	13.7
85.02916	13.0
85.06548	5.5
91.03941	5.2
91.05489	49.4
93.07042	75.8
95.04968	8.9
95.08611	50.0
97.02892	7.7
97.06538	9.2
97.10176	8.6
99.08080	5.7
100.90272	3.7
105.07031	52.0
107.08600	53.0
109.06513	9.9
109.10170	24.7
111.08091	5.8
113.09657	4.2
114.44653	4.1
117.07014	12.4
119.08592	33.5
121.10146	34.8
123.11732	7.2
129.07007	4.6
129.11964	4.5
131.08582	19.8
133.10115	40.8
135.11699	32.0
143.08638	4.5
145.10127	18.8
147.11681	28.6
149.09607	4.7
149.13257	18.7
157.10135	11.2
159.11725	23.3
161.13248	18.5
163.11154	4.7
171.11710	12.2
173.11873	5.4
173.13300	11.6
175.14882	4.7
180.62766	3.8
185.13203	8.1
187.14876	12.5
199.14842	5.2
205.14041	4.0
205.15903	6.9
219.17516	6.7
229.14276	10.9
241.19536	15.5
246.61444	4.2
259.20508	45.4
269.17377	9.7
277.21667	38.0
286.04868	5.1
351.25296	100.0
358.20078	4.6
548.35168	7.4
549.30072	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	548.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01865	4.8
55.05499	10.8
57.03424	5.4
61.02922	11.6
62.86568	2.1
65.03925	2.9
67.05508	11.1
67.37254	2.1
69.03423	26.3
69.06721	3.0
69.07069	30.5
69.27375	8.8
69.27802	16.3
70.06579	8.2
71.04982	4.0
72.08146	2.1
73.02898	2.9
74.06052	2.4
79.05472	7.0
81.03414	6.6
81.07040	10.2
83.01350	2.7
83.04977	14.6
83.08604	3.5
85.02441	2.5
85.02903	31.0
85.06525	5.4
86.09694	2.5
91.03960	4.6
91.05476	17.0
93.07062	15.1
95.01331	6.7
95.04972	10.6
95.08610	30.2
97.02890	12.1
97.06530	6.3
97.10144	9.8
99.04455	5.1
105.07018	23.2
107.04915	3.9
107.08570	14.5
109.02878	8.1
109.06512	5.0
109.10170	16.0
111.04443	3.6
111.08083	3.3
113.02359	2.3
117.06972	3.2
118.98045	2.4
119.03436	2.3
119.05010	3.2
119.08573	58.2
121.06492	6.4
121.10133	29.6
123.04454	11.3
123.08038	8.9
123.11692	8.8
125.06053	5.1
125.09620	4.0
127.03912	11.4
129.06964	2.2
131.08549	5.7
133.09113	4.7
133.10117	85.6
134.10808	2.4
135.08063	11.9
135.11679	3.4
137.05997	12.6
137.09610	3.6
139.03879	7.8
140.07048	3.1
141.01878	3.0
143.03354	4.7
143.05676	11.5
143.08466	2.6
145.04962	4.6
145.10117	8.0
147.04410	9.8
147.08113	5.1
147.11693	34.0
149.05981	4.8
149.09612	3.8
151.07556	5.0
151.11212	3.0
153.05473	6.7
153.09108	5.6
157.04979	6.2
159.06589	4.8
159.11697	2.9
161.05978	2.9
161.09628	4.7
161.13229	10.6
163.07605	2.9
167.07001	22.8
173.13278	3.2
175.03845	5.8
175.14821	100.0
176.15623	12.2
177.03943	7.6
177.05472	7.7
179.07025	8.7
179.10693	2.7
181.04970	3.1
183.06508	10.4
185.04437	3.9
185.08061	4.1
187.14804	3.3
193.15904	6.3
201.05544	4.7
203.05446	7.5
207.06494	12.6
207.10260	3.2
209.11697	2.4
211.06006	9.0
213.07495	3.5
215.05457	21.5
217.08649	4.2
225.11186	7.1
229.07057	31.2
243.08588	9.0
253.10582	6.3
255.14058	2.5
257.10181	8.5
271.05560	2.7
271.11786	31.8
287.16519	2.6
295.11853	2.6
298.04669	8.7
299.05087	11.6
301.07065	17.7
305.17471	6.5
313.06964	31.1
314.07407	42.9
315.15823	2.8
326.07147	3.4
333.16962	4.0
351.18005	92.5
360.97656	2.2
361.02142	12.4
362.02692	21.7
368.11990	7.0
373.13925	3.3
379.03214	7.0
380.03726	12.7
385.12781	10.6
386.13214	31.1
481.87317	2.7
488.05756	2.5
494.11404	3.3
548.18085	8.5
577.73730	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38563	0.3
53.03935	0.7
53.22092	0.3
54.03440	0.3
55.01846	0.3
60.08164	24.5
63.02376	0.3
69.03431	9.1
70.06593	24.1
71.35545	0.5
72.08141	0.3
74.06049	0.6
77.03905	0.4
79.05491	0.7
81.03399	0.8
83.04962	0.3
84.08147	0.5
85.02908	1.4
86.06010	0.3
86.09693	0.4
89.03917	3.4
91.05471	1.9
93.07039	0.4
95.04973	3.0
97.02876	1.1
99.04453	0.5
103.05458	0.7
107.04955	1.9
109.02883	0.4
117.03392	4.7
119.04944	6.0
121.02879	0.3
121.06550	0.6
123.04426	14.1
127.03915	4.7
129.06987	0.4
131.04884	0.3
134.03690	0.3
135.04411	11.9
143.05653	1.0
145.02850	11.9
145.03996	0.6
147.04402	7.7
149.05968	0.8
153.05452	0.4
161.06001	0.4
161.73041	0.3
163.03902	100.0
164.04237	0.8
165.05479	11.1
175.03917	0.7
177.05472	13.6
178.04970	0.5
181.04962	1.6
189.05515	0.4
201.05455	0.6
206.04486	0.7
207.06526	1.6
210.11172	0.3
217.05009	0.5
224.12828	4.9
234.11273	0.4
247.06059	0.5
261.38522	0.3
307.08148	5.6
325.09204	17.8
329.10257	3.1
350.07629	0.3
386.16031	0.8
389.10675	0.3
498.18579	0.8
516.19818	0.3
548.21295	41.6
549.21436	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	20.3
57.03428	7.2
57.07067	6.1
67.05505	88.2
69.07071	23.6
71.05005	4.7
79.05500	43.1
81.03426	3.4
81.07059	100.0
81.07528	7.1
83.04964	4.0
83.08616	17.3
85.06554	5.7
91.05476	33.5
93.07046	65.4
95.04967	8.3
95.08605	56.7
97.06527	9.1
97.10179	7.0
99.58790	3.0
105.07030	28.3
107.08599	36.1
109.06556	4.1
109.10146	31.5
111.08105	6.1
117.07018	10.7
119.08574	34.9
121.10146	30.9
123.08051	3.3
123.11726	10.5
125.09648	3.0
131.08580	22.5
133.10136	22.8
135.11678	24.8
137.09679	3.4
137.13350	4.1
143.08597	5.6
145.10129	21.2
147.11690	21.0
149.13255	23.9
151.11195	3.2
155.08568	4.5
157.10132	6.0
159.11693	20.0
161.13289	10.9
162.55052	2.8
163.11212	3.5
165.12837	3.6
171.11694	8.0
173.13260	11.2
175.14835	6.4
177.12767	5.9
187.14888	8.5
195.13727	7.3
198.21585	3.1
199.14778	3.3
215.17905	3.2
229.14398	4.2
245.34531	3.0
259.20633	3.5
261.22214	20.8
267.15964	9.0
269.17474	25.2
287.23691	6.7
301.25250	3.5
317.24820	4.8
335.25757	24.7
337.27753	3.1
355.88074	2.8
419.32376	3.4
423.42978	4.0
437.34088	12.6
455.35184	19.0
473.36340	13.1
511.37796	4.8
512.00024	3.2
517.93207	3.5
529.38922	78.6
547.39362	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	547.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01870	4.7
55.05509	31.4
55.47079	2.0
56.21359	1.8
57.03438	13.1
57.07069	6.2
62.52060	1.9
65.03925	4.9
67.05505	91.7
68.05820	2.3
69.07070	24.8
69.26581	16.7
69.27013	6.4
71.04981	6.5
71.08636	2.6
79.05056	3.4
79.05493	51.0
80.05841	2.0
81.03410	8.0
81.07056	100.0
83.04981	5.9
83.08631	17.6
85.06529	5.0
91.04961	3.1
91.05487	42.8
92.05827	2.6
93.06466	4.5
93.07042	67.4
95.04979	14.9
95.08607	64.0
96.08919	3.3
97.06522	9.4
97.10159	6.8
99.08101	3.8
105.07034	35.5
106.07339	2.8
107.04967	3.9
107.08597	41.8
109.06526	5.1
109.10154	33.3
109.10837	3.9
111.08077	3.9
113.09637	2.2
117.07025	15.5
119.08575	36.1
121.06497	3.6
121.10131	30.0
123.08073	2.5
123.10896	2.9
123.11687	15.0
125.09634	4.8
129.07011	7.9
131.08571	24.8
133.10101	24.1
134.10451	2.6
135.08063	3.4
135.11684	21.6
137.09616	4.4
143.08540	7.2
145.10132	20.8
145.98944	2.0
147.11703	23.9
149.09663	3.4
149.13269	15.0
151.11197	2.7
157.10156	7.9
159.11681	20.9
161.13327	11.1
163.11139	5.3
163.14847	5.0
165.12836	4.0
169.10100	2.5
171.11674	7.4
173.11929	2.5
173.13229	10.4
175.14828	5.2
177.12717	4.9
183.11746	3.6
185.13206	5.6
187.14859	5.9
189.16374	2.6
191.72935	2.0
193.12253	3.1
195.11839	2.1
195.13861	5.9
197.13225	2.4
199.14816	2.9
201.16364	2.7
213.16368	3.3
227.12825	2.7
229.14214	3.2
243.15773	2.8
243.21184	2.9
261.22025	13.9
267.15805	3.6
269.17377	11.3
277.21536	3.6
285.22095	2.3
287.23773	3.3
301.21875	2.8
301.25238	5.3
303.23077	2.8
317.24506	3.2
335.25760	12.8
351.26358	2.3
361.27390	3.0
419.33249	3.4
433.70908	2.5
437.33997	13.5
455.35190	17.9
473.36044	7.7
475.34027	3.0
503.37271	2.6
510.65332	2.1
511.37674	4.0
529.38916	76.9
547.39081	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.7
55.01878	3.2
55.05510	29.9
57.03426	9.2
57.07069	6.6
58.96412	2.1
65.03942	5.2
65.98709	1.9
67.05505	100.0
68.05843	4.4
69.03426	2.9
69.07069	28.2
70.85738	5.6
71.04982	7.2
71.08626	3.6
75.52910	2.0
77.81879	1.7
79.05492	57.2
80.05827	2.9
81.03397	6.4
81.07058	97.9
82.07368	2.2
83.04977	6.3
83.08607	17.8
85.06527	5.1
89.07467	2.0
91.05482	46.4
93.07041	64.1
94.07359	4.0
95.04965	13.6
95.08607	65.2
97.06545	10.9
97.10158	8.3
99.08131	2.6
105.07032	39.7
105.66569	2.4
107.04967	3.8
107.08590	39.3
109.06524	5.1
109.10158	32.5
111.08080	5.6
117.07002	14.4
119.08581	39.0
121.06464	4.1
121.10138	30.8
123.04430	3.6
123.08062	4.1
123.11668	13.4
123.84286	2.0
125.09642	3.1
129.06993	6.0
131.08568	26.4
133.10126	29.1
135.11700	20.9
137.09665	2.4
137.13248	3.4
142.07886	2.3
143.08563	8.8
145.10150	22.7
147.11699	21.8
149.09616	2.1
149.13268	19.5
151.11105	2.6
153.12811	3.1
155.08600	2.6
157.10133	9.5
159.11693	21.3
161.13275	7.9
163.11180	3.8
163.14803	2.2
165.12788	2.9
169.10080	2.6
171.11688	8.0
173.11925	2.7
173.13202	9.8
175.11241	3.5
175.14934	5.0
177.12781	4.3
183.11684	2.6
185.13293	8.5
187.14870	8.2
189.11140	3.3
195.11841	3.0
195.13831	6.2
197.13190	2.6
199.14920	5.5
201.16348	2.9
227.12782	2.8
229.14264	3.0
240.07835	2.1
247.20592	2.4
259.20746	3.3
261.22131	15.2
267.15952	6.1
269.17560	10.7
277.21927	2.9
287.23575	3.8
301.25186	7.3
314.90210	2.1
317.24628	2.8
321.24258	3.1
335.25754	14.3
343.26105	4.1
361.27371	3.4
383.24857	2.3
419.32953	5.7
437.34210	16.2
446.22214	2.6
455.35165	18.9
467.55994	2.2
473.36444	15.7
503.37207	4.0
511.37772	5.0
529.38855	81.2
547.40332	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	547.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.4
56.05021	0.5
57.05824	1.3
57.07088	0.7
58.06600	0.9
60.04513	1.0
67.05502	2.2
69.03434	0.8
69.07068	6.7
70.06594	3.9
72.04509	0.8
72.08156	100.0
81.07059	0.9
82.06583	1.0
83.04980	0.6
84.08145	17.1
85.02910	0.7
85.08922	1.2
86.09706	52.5
91.05486	3.5
93.07064	0.6
95.04969	2.8
96.08124	0.5
97.06544	0.8
98.09666	0.6
98.21545	0.9
99.09216	1.1
105.07041	0.7
107.04942	0.8
109.52334	0.4
112.07611	3.2
115.05464	0.8
117.07037	0.6
117.56113	0.4
119.04955	5.2
123.04451	1.2
127.03970	0.6
127.08672	2.4
128.10719	31.1
130.08653	0.5
131.04955	0.5
132.08101	1.0
136.07590	4.4
137.05983	1.4
138.12802	1.4
140.07179	0.5
141.10229	0.7
143.04907	0.6
145.02927	0.5
145.06531	0.9
145.10075	0.6
146.06023	1.2
147.04407	3.4
149.05917	0.4
156.10216	5.5
157.10089	0.6
160.07536	2.6
161.05959	0.7
161.09659	1.9
162.05418	0.4
165.05519	2.7
166.12270	3.5
167.07048	1.7
171.04419	0.6
174.12788	1.1
175.03943	2.1
177.05527	1.4
180.13861	0.6
182.08098	6.0
183.14963	3.9
184.08669	0.4
185.09642	2.3
187.11209	0.4
188.07097	0.6
189.05441	0.9
189.09109	19.0
190.12267	0.4
192.31377	0.5
194.11800	1.9
201.05518	1.7
202.12265	25.3
206.08089	0.5
207.06506	4.3
208.13329	0.7
211.14404	8.5
212.10701	0.5
213.05518	0.5
213.09131	1.7
219.10236	0.5
219.14996	0.9
220.06163	0.7
220.13260	0.6
225.15981	2.0
230.11798	1.0
230.92560	0.5
231.06589	0.9
231.10165	19.7
239.17505	0.9
247.14496	0.5
248.12823	32.4
258.11285	1.3
265.15475	10.2
267.17047	22.7
275.13940	1.9
276.12311	1.5
281.14938	9.1
285.07904	0.5
287.05405	3.6
293.14975	4.5
301.19171	1.2
313.07001	1.0
319.13022	1.5
324.33051	0.5
335.09262	0.9
338.24402	2.8
347.19659	12.1
364.22385	5.4
366.23947	3.5
367.11697	1.6
374.20743	2.1
375.19183	4.2
385.12888	2.3
392.21793	34.2
393.22238	0.8
420.21277	1.4
448.24719	2.3
519.31732	0.7
529.30029	0.8
547.18671	0.8
547.31201	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	547.1813
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
53.03921	0.2
55.05503	0.2
57.03427	0.2
58.37045	0.2
61.02913	0.2
61.82445	0.2
67.01876	0.2
67.05494	0.6
69.03440	1.0
70.85684	0.4
72.69614	0.2
76.44711	0.2
81.03414	0.6
81.07044	0.5
85.02910	2.2
91.05481	0.7
92.99744	0.4
93.95635	0.2
95.04932	0.3
95.08594	0.3
97.02884	0.5
105.07027	0.4
106.04207	0.3
107.04955	0.4
109.02889	0.4
115.05443	0.3
116.59383	0.2
117.07025	0.2
119.04950	0.7
127.03876	0.7
131.04915	0.3
134.03651	0.7
135.04405	0.3
137.05965	0.9
145.02863	0.2
145.04910	0.4
147.04420	0.7
149.05975	0.3
153.05473	0.2
158.99713	0.2
163.03844	0.2
163.07552	0.2
165.05510	0.3
167.03528	0.2
167.07043	1.0
173.06056	0.3
175.03914	1.0
177.01869	0.2
177.05463	0.8
179.03340	0.2
183.77199	0.2
186.55048	0.2
187.07590	0.3
191.06935	0.3
194.02153	0.4
200.04826	0.3
201.05428	2.0
203.03384	0.7
207.06535	1.5
208.03755	0.2
213.05434	0.5
218.05782	0.4
221.04366	1.1
231.06551	0.5
235.07495	0.2
236.06839	0.7
241.05051	0.2
247.07661	0.2
253.04771	0.4
254.05692	0.5
261.09198	0.4
263.07095	0.4
264.07739	0.3
265.04999	0.3
267.06488	1.0
269.08209	0.5
270.05243	0.5
277.08652	0.6
278.09314	0.4
279.10248	0.4
281.05017	0.3
281.08032	1.5
282.05292	0.8
284.06863	0.9
285.07648	0.2
287.05472	0.9
289.08694	0.6
291.06491	0.4
292.07239	0.3
293.04300	0.4
295.06027	1.1
295.09665	0.8
296.10416	0.4
297.07550	1.6
298.04715	7.0
299.05734	0.4
299.09045	1.9
301.07077	0.5
303.05490	0.3
305.07980	0.2
306.09009	0.4
307.09665	0.5
309.07507	3.6
310.04742	1.4
310.08014	0.3
311.09244	0.5
313.07053	13.9
317.08081	0.5
319.05957	0.2
320.06741	0.4
321.07724	0.4
321.11249	0.4
323.05475	1.4
323.09122	0.4
324.06393	0.6
324.09958	0.3
325.07074	3.2
325.10785	1.1
327.08633	0.5
333.07520	0.3
334.08356	2.0
335.09161	1.2
337.07056	7.2
338.07834	1.6
339.08685	1.0
339.12326	0.7
349.06534	0.1
349.10660	3.4
351.08658	0.9
352.09406	9.4
355.11578	0.3
367.11768	100.0
368.12140	1.4
385.12766	2.1
529.17047	0.8
547.18658	0.2
547.34686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05540	0.2
67.05490	0.5
69.03437	0.9
69.39993	0.5
69.40397	1.5
79.05516	0.3
81.03420	0.6
81.07057	0.2
85.02903	1.3
89.77307	0.2
91.05483	0.8
91.30230	0.2
95.04936	0.2
95.08566	0.2
97.02898	0.6
104.11523	0.2
105.07072	0.3
107.04955	0.3
109.02845	0.3
119.04959	1.1
121.06526	0.2
127.03947	0.7
131.04950	0.4
134.03635	0.7
135.04503	0.3
135.85614	0.2
137.05997	0.8
142.04781	0.2
143.05663	0.9
145.02834	0.3
147.04401	0.9
149.06004	0.4
151.03938	0.3
151.07579	0.3
161.02397	0.3
161.05991	0.2
167.03375	0.3
167.07079	0.8
172.05229	0.3
175.03946	0.7
177.01950	0.4
177.04065	0.2
177.05418	1.0
190.02576	0.4
191.03462	0.4
191.07042	0.3
193.10411	0.2
194.02103	0.5
201.05469	1.9
203.03471	0.5
207.02843	0.2
207.06480	1.3
208.03790	0.2
213.05516	0.4
218.05692	0.5
219.06522	0.3
221.04391	1.1
231.06584	0.5
235.07567	0.3
236.06750	0.7
237.05431	0.4
253.04970	0.5
253.08572	0.4
261.09036	0.4
264.07870	0.3
265.04959	0.5
265.08514	0.2
267.06662	0.9
269.04813	0.2
269.07996	0.3
277.05045	0.2
277.08530	0.5
281.04639	0.5
281.08136	1.4
282.05307	0.8
289.08661	0.6
292.07391	0.3
293.04437	0.6
295.06061	1.5
295.09482	0.5
296.10358	0.5
297.07581	1.4
298.04745	6.7
299.09113	0.4
300.96591	0.2
301.06992	0.4
305.07932	0.3
306.08887	0.4
307.09625	0.5
309.04318	0.3
309.07635	2.5
310.04706	1.0
310.08191	0.4
311.05823	0.3
311.12842	0.3
313.07068	13.1
317.08221	0.5
319.06192	0.3
323.05463	1.2
323.08878	0.4
324.06400	0.6
325.07098	3.6
325.10773	1.0
327.08694	0.4
333.07681	0.2
334.08398	1.7
335.09167	1.1
337.03357	0.3
337.07056	5.8
337.11133	0.4
338.07843	1.9
339.08621	1.0
339.12390	0.7
349.10736	2.8
351.08734	1.0
352.09433	8.8
367.11792	100.0
368.12140	1.5
385.12906	2.1
529.16901	0.7
546.33118	0.3
547.18494	0.2
547.34387	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	547.1806
Annotation	Pedunculosumoside D
Peak:m/z	Relative Intensity
50.53346	0.4
55.05454	0.6
57.03374	0.4
60.64624	0.4
61.02872	0.7
65.03907	0.6
67.05441	1.4
69.03362	2.0
69.36504	1.0
69.36919	3.5
70.06519	4.2
71.04961	0.6
71.06895	0.6
72.08103	0.7
73.02837	0.7
78.91920	0.5
79.05460	0.6
81.03327	1.3
83.04945	0.5
84.08073	0.9
85.02895	2.6
85.06488	0.8
86.09666	0.6
91.05400	2.0
95.04893	0.9
95.08505	0.6
97.02801	2.0
99.04392	0.7
101.32572	0.4
103.03904	0.8
103.05439	0.8
105.06970	1.0
107.04919	1.2
109.02790	1.5
111.04396	0.8
115.34163	0.5
119.04870	1.4
121.02879	2.8
121.06488	0.5
121.82288	0.4
122.05936	0.7
127.03904	2.7
131.04811	0.7
131.08456	0.5
137.02313	3.4
137.05882	2.0
142.85640	0.4
143.05670	2.9
145.02776	1.1
145.04857	0.7
145.06401	0.6
147.04301	1.4
149.09517	0.6
150.05449	0.5
151.03819	0.7
153.01720	0.6
161.05878	0.5
163.03865	0.5
163.05969	0.5
163.07420	0.5
165.01782	0.7
167.06981	1.9
173.05939	0.6
175.03833	1.3
175.07437	1.0
175.54671	0.4
177.05431	1.9
181.04892	1.6
183.83989	0.4
189.05383	0.5
195.02893	0.6
197.05916	0.5
201.05464	5.8
203.03366	0.5
207.06485	2.0
208.09557	0.7
210.99094	1.3
213.05385	1.0
217.04987	0.7
231.06502	0.9
241.04907	1.2
242.05721	0.7
253.04941	0.5
269.06598	0.8
269.13559	0.4
270.05176	2.4
283.06003	0.7
287.05527	0.9
295.06088	3.9
295.09183	0.8
296.06461	0.5
297.07474	0.8
298.04709	29.5
299.05359	1.8
301.07019	2.1
307.05920	1.2
307.09641	0.5
309.07553	1.6
310.04788	0.6
311.05728	0.8
313.07034	100.0
314.07324	1.6
321.07452	1.6
323.05621	1.0
325.00339	1.8
325.07059	2.1
326.06567	0.8
327.04831	0.8
333.07294	0.6
335.09204	1.3
337.07175	2.2
343.01212	2.0
349.07065	1.4
349.10718	0.7
351.08572	0.5
352.09497	1.3
355.11832	1.0
361.02322	23.3
361.06598	0.8
362.02783	1.2
367.11807	11.7
368.07828	0.5
379.03400	11.6
379.08017	1.2
384.04004	1.6
385.12827	58.1
386.13486	0.9
386.30643	0.4
391.08191	0.7
397.09198	1.2
403.03479	1.7
409.09225	0.9
421.09201	1.1
426.05200	0.6
426.46033	0.6
427.10562	0.7
457.10629	0.5
463.10410	0.7
481.11377	1.1
487.05569	1.2
493.11346	1.1
505.06512	0.8
511.12500	2.5
516.29285	0.5
529.13000	1.0
547.18091	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	547.1456
Annotation	Afrormosin 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03133	0.2
57.03442	0.2
67.05508	0.4
69.03434	1.0
69.07048	0.3
79.05499	0.5
80.65057	0.2
81.03424	0.5
81.07057	0.5
85.02915	0.9
89.03903	0.2
91.05479	1.4
93.07038	0.2
95.04967	0.4
95.08617	0.6
97.02908	0.4
98.20744	0.6
103.05446	0.2
105.07031	0.7
107.04962	0.7
107.08579	0.3
109.02882	0.5
109.10188	0.3
119.04958	1.5
119.08585	0.3
121.02879	0.2
121.06491	0.3
123.00793	0.3
125.09678	0.2
127.03918	0.5
129.03105	0.2
131.04927	0.4
132.05728	0.2
133.06459	0.2
133.10146	0.2
135.04410	0.3
137.02353	0.4
137.05971	1.3
143.05664	0.5
145.02878	0.5
147.03357	0.2
147.04384	1.0
151.00272	0.4
152.01019	0.9
153.01854	0.3
161.05974	1.2
163.03947	0.3
166.02631	0.2
167.07059	1.8
168.05748	0.3
169.01288	0.3
170.02144	0.7
173.05956	0.3
175.03865	1.2
175.07550	0.2
177.05453	1.1
179.07018	0.4
182.07115	0.3
183.08078	0.5
185.06027	0.2
185.65385	0.2
191.07036	0.5
193.08644	0.2
196.05139	0.3
197.05908	0.4
201.05453	2.6
203.85936	0.2
205.04973	0.3
207.06494	2.7
207.08170	0.3
209.08026	0.2
210.06802	0.3
211.07553	0.8
213.05418	1.1
224.04811	0.2
225.05518	0.2
227.07040	0.5
228.07828	0.2
231.06508	0.7
239.07021	2.3
241.04958	1.1
243.10178	1.2
252.03995	0.2
253.04927	0.5
255.06516	0.9
256.07281	2.6
267.06396	0.2
269.04535	1.0
283.06110	0.3
284.06787	44.0
285.07217	0.4
287.05453	1.7
291.06616	0.3
292.07419	0.2
298.04745	0.8
299.09128	100.0
300.09467	1.1
303.06537	0.3
309.07574	0.3
313.06967	1.9
320.06607	0.3
325.07053	0.4
334.08429	0.3
335.09158	0.7
337.07211	1.0
337.10568	0.2
349.10684	0.4
352.09409	1.2
355.11749	0.7
367.11755	13.2
385.12872	1.0
510.70447	0.2
546.33527	0.6
547.17889	0.7
547.35400	0.9
567.80573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
57.03421	2.5
61.02925	3.2
65.03918	1.6
68.99770	0.7
69.03400	0.6
70.06557	1.3
71.19454	1.5
73.02898	1.4
81.03390	1.2
85.02899	5.1
90.04754	0.6
91.05452	2.3
94.15786	0.6
95.04909	1.0
97.02863	2.0
103.03921	2.3
103.05487	1.2
105.03385	0.6
105.06978	0.7
107.04953	4.2
109.02858	2.5
111.04447	1.5
115.05464	0.7
117.07079	0.9
119.04946	11.8
121.02872	45.4
121.06479	1.0
131.04903	1.7
135.04391	1.9
139.03926	0.7
141.01797	0.7
145.02856	6.2
145.06458	1.9
147.04367	2.4
149.06003	1.0
157.06516	0.8
159.04410	2.4
161.02414	0.9
161.06009	1.5
163.03882	2.2
165.01804	0.9
171.04427	1.6
173.06003	1.4
175.03914	2.5
177.01823	2.5
177.05453	1.5
179.03389	2.0
183.04424	1.0
185.05940	1.2
187.03917	2.9
189.01840	5.2
189.05452	1.7
190.02640	0.6
191.03391	4.4
195.02884	11.1
195.34680	0.6
197.04314	1.0
197.06012	1.4
199.03931	2.5
201.01855	1.3
201.05473	3.5
203.03400	21.6
205.01279	0.8
205.04939	3.9
207.02916	9.2
207.06493	0.7
208.03575	0.8
209.04375	1.0
211.03928	1.7
213.01967	0.9
213.05447	1.2
215.03401	8.8
215.06801	0.7
217.01614	0.6
217.04961	8.1
219.02893	3.6
219.06543	1.3
221.04437	9.1
225.05672	1.3
227.03413	2.5
229.04932	5.3
231.02873	1.8
231.06441	0.8
233.04398	6.0
239.03329	1.1
239.07033	0.8
241.04945	3.7
243.02866	3.8
243.06471	2.0
245.04401	2.2
247.05998	1.5
249.03983	1.2
251.07040	1.3
252.07848	1.0
253.05042	1.9
255.02844	2.7
255.06535	1.3
257.04465	2.3
259.06024	1.0
261.04019	2.9
265.04941	0.9
265.08630	0.8
267.03058	0.9
267.06561	2.3
268.07236	4.3
269.04428	2.2
271.05954	2.1
273.03860	3.3
277.08627	1.2
279.06564	5.9
280.07278	1.8
281.04877	0.9
281.08124	2.5
282.05298	0.8
283.05988	9.3
284.06702	1.1
285.03928	1.7
289.08618	0.8
291.06519	1.6
292.07300	3.6
293.04767	1.1
293.07999	8.2
294.05240	6.7
294.08713	1.5
295.06024	92.2
296.06741	6.8
297.07458	6.8
298.49475	0.6
304.07355	1.4
305.07965	3.5
306.08804	1.9
307.06024	47.6
307.09464	3.1
308.06775	20.9
309.03976	2.5
309.07532	21.8
311.05569	0.8
313.07062	2.9
317.08051	4.8
318.08768	0.9
319.05972	4.3
319.09616	1.7
320.06796	6.9
321.07571	64.2
322.04807	1.3
322.08322	15.1
323.05582	2.0
323.09061	9.3
325.07059	67.8
329.08072	4.0
331.06012	1.8
331.09619	1.6
333.07590	28.5
334.08301	4.0
335.05499	1.8
335.09122	24.0
336.06308	4.3
336.09866	1.0
337.07053	31.5
339.08591	4.2
343.09500	1.0
344.06714	0.9
345.07578	10.9
346.08328	3.1
347.05432	1.3
347.09143	16.0
348.06232	1.2
349.07059	65.5
350.07703	2.3
351.08646	38.6
352.08878	1.1
353.06509	0.9
355.08362	1.0
357.07571	2.4
359.09134	5.5
360.06226	1.3
361.07031	33.2
361.10687	2.6
362.07809	1.7
363.08603	21.9
363.13080	1.1
365.06552	1.2
365.10217	5.5
367.08127	6.7
371.08972	1.1
371.60770	0.8
373.06958	11.9
373.10898	1.3
374.07822	1.3
375.08682	18.7
377.06320	1.6
377.10205	5.2
378.07300	0.7
379.08130	100.0
381.09799	1.9
383.08899	0.9
385.07324	2.6
387.08670	10.9
389.06671	0.6
389.10355	5.7
391.08084	41.3
392.08554	1.2
393.09631	2.7
395.07724	0.9
397.09186	41.1
399.08685	3.1
401.10349	4.9
403.04086	0.4
403.08105	24.4
405.09772	11.9
409.09195	60.4
415.09961	12.6
417.09827	5.1
419.11304	2.8
421.09207	16.2
423.10657	0.8
427.10294	65.3
428.10620	1.0
429.09518	4.0
433.09189	25.1
435.10675	1.2
437.12372	0.9
439.10278	10.8
445.09198	13.6
447.10678	2.7
451.10251	33.7
457.11264	26.4
463.10175	11.8
465.11835	1.7
469.11322	41.0
470.11685	0.9
475.10281	13.6
481.11316	54.0
493.11310	32.0
493.18628	1.1
499.12363	34.7
511.12390	64.1
529.13452	47.2
530.13928	0.8
547.14471	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	546.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.5
55.05515	15.9
57.03434	13.3
67.05506	43.7
69.07063	15.4
70.93238	3.3
71.05000	6.9
71.60915	7.4
79.05487	26.2
81.03421	58.8
81.07053	57.9
83.04985	8.3
83.08623	17.6
85.06557	4.7
91.05480	24.4
93.07046	39.3
95.04952	20.3
95.08603	21.5
95.98429	3.5
97.06544	7.2
105.07064	18.0
107.08607	20.8
109.10185	8.9
111.08072	9.2
117.07010	7.3
119.08592	13.6
121.10146	14.1
123.08023	4.6
129.07010	4.9
131.08553	10.6
133.10136	9.9
135.11710	6.0
145.10138	4.7
147.11653	7.6
149.09630	5.0
149.13278	13.0
157.10182	6.0
159.11682	8.7
175.11221	8.1
193.12254	14.3
195.13826	7.8
249.33867	4.4
267.15918	56.5
269.17465	55.6
353.41837	4.1
354.23041	4.4
435.27335	4.8
445.18430	4.4
453.28455	8.4
461.28998	100.0
479.79276	4.6
546.38873	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	546.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.34099	0.3
56.86763	0.3
56.96557	0.3
61.01130	0.9
65.03931	1.1
66.68356	0.3
67.05479	0.3
69.03416	0.7
69.66980	0.3
70.06594	1.8
70.85417	0.8
71.04984	0.3
72.04504	1.7
72.08145	0.8
78.03418	0.3
78.03793	2.2
81.03400	0.6
84.04515	0.4
84.08111	0.4
85.02884	0.9
85.06535	0.5
86.06059	0.6
86.09698	0.9
88.02202	0.9
91.05476	6.6
95.04989	0.4
97.02875	0.7
98.02429	0.4
102.03761	3.4
107.04949	0.4
109.02850	0.5
113.05994	0.5
114.03755	1.1
119.04937	18.5
121.02885	1.4
121.06532	0.5
122.02744	0.6
122.06020	0.6
123.04421	0.4
123.77013	0.3
124.07579	0.5
126.01048	1.0
127.03887	0.6
128.02621	3.6
130.03226	0.8
130.08588	0.8
131.06371	1.8
132.04811	2.0
136.07626	0.8
137.05986	0.5
138.05450	0.4
140.07123	0.4
141.06619	0.4
142.00557	1.2
142.08646	1.8
143.05646	0.8
144.02113	1.3
145.02837	0.4
147.04402	100.0
148.04813	0.8
149.07436	11.1
154.08643	1.0
156.06541	0.8
159.05875	0.6
162.09116	0.9
163.03882	0.6
164.07039	0.6
167.07024	0.6
171.03191	1.7
175.03906	0.7
175.05392	1.0
177.05478	0.8
177.09090	0.7
180.10213	0.7
184.09683	1.2
207.06528	1.2
208.09668	2.3
218.08118	14.9
233.04459	0.3
243.11659	0.7
244.08394	0.4
261.12677	6.1
261.15329	0.2
267.11267	0.4
277.10080	0.6
281.95724	0.4
283.06207	0.5
295.06277	1.9
295.11105	22.2
298.05066	3.5
298.10934	0.4
302.15164	0.3
307.05972	1.6
308.06699	0.6
309.07562	0.3
313.11752	1.0
321.07681	1.4
321.10870	0.5
323.05405	0.4
325.07056	1.1
333.07669	0.7
335.09207	0.6
337.07257	0.7
347.09109	0.7
349.07019	1.9
351.08655	0.9
361.06934	0.5
363.08551	0.8
363.15503	0.5
373.07007	0.4
373.14014	3.1
375.12244	0.5
376.12643	0.8
379.08105	1.7
391.08157	0.9
397.09045	1.1
407.16342	4.1
409.09161	1.0
416.13062	20.0
427.10242	1.4
451.10364	0.7
457.11188	0.6
469.11398	1.1
475.10242	0.3
481.11166	0.9
493.11252	0.6
499.12222	0.7
511.12378	1.4
528.11365	0.3
528.18378	6.7
529.13446	0.9
546.19867	1.1
547.14508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01868	6.7
55.05257	3.0
55.05510	33.8
57.03447	9.3
57.07082	2.8
65.03924	3.2
67.05503	69.7
69.03423	3.8
69.07063	19.7
69.28181	14.9
69.28607	6.5
71.04975	5.2
79.05491	44.0
81.03419	23.4
81.07055	68.0
83.04980	7.0
83.08611	25.8
85.06560	3.4
91.05477	37.8
93.07050	44.1
95.04980	23.5
95.08606	43.7
96.45963	1.8
97.06516	4.2
97.10163	25.4
98.21550	3.1
105.07025	32.2
107.04932	8.5
107.08588	34.5
109.06524	6.4
109.10150	29.5
111.08105	4.8
117.06991	14.6
119.08595	24.0
121.06498	9.9
121.10136	22.1
123.08090	6.8
123.11709	9.5
125.09627	18.5
129.07013	9.1
131.08588	24.2
133.06532	3.7
133.10126	20.3
135.08060	10.0
135.11662	13.3
137.09657	4.1
139.11147	2.4
141.24184	2.0
143.08554	9.0
145.06471	2.1
145.10100	21.3
147.08017	3.5
147.11670	15.1
149.09650	4.4
149.13263	7.1
155.08521	3.9
157.10161	9.1
159.11670	16.1
161.09618	3.1
161.13271	9.6
163.11237	3.1
165.12851	2.5
169.10107	5.0
171.10374	2.6
171.11720	8.7
173.13295	10.8
175.11221	4.2
175.14798	5.5
183.11639	4.1
185.13284	9.1
187.11238	3.1
187.14885	6.5
189.11200	12.2
189.16376	2.4
193.12178	4.2
197.13322	3.9
199.14883	4.3
201.16344	3.7
209.13496	2.3
225.16289	1.8
227.12802	14.5
227.17944	2.2
233.15370	2.4
243.21182	3.0
247.16995	2.1
261.22162	14.6
267.15906	26.3
279.23163	5.5
283.24298	2.9
285.22223	6.3
299.23715	2.6
301.25201	21.9
303.23209	3.3
317.24747	2.6
323.23495	1.9
335.25827	15.7
359.25635	3.9
403.25092	2.4
421.25937	4.7
435.32565	8.1
453.33472	19.4
471.34900	8.6
527.37292	66.3
545.38354	100.0
546.38812	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
53.88804	1.7
55.01862	8.3
55.05262	3.5
55.05510	42.7
57.03429	7.6
57.07085	2.3
59.04979	2.7
65.03934	3.9
67.05509	76.6
69.03423	4.1
69.07072	20.5
70.85882	4.4
71.04993	5.2
73.75227	1.7
79.05064	3.1
79.05495	42.3
81.03423	28.5
81.07059	81.9
83.04971	6.7
83.08613	23.8
85.06544	3.5
91.05486	45.8
92.48611	2.2
93.07050	45.7
94.14150	1.7
95.04976	26.4
95.08611	50.7
97.06523	7.7
97.10180	21.4
99.08038	2.2
101.18923	2.2
105.07042	46.8
107.04951	6.8
107.08602	35.5
109.06532	5.8
109.09440	4.0
109.10149	31.2
111.08089	5.0
115.03224	1.9
115.05419	2.7
117.07013	22.4
119.08581	32.4
121.06495	11.5
121.10145	20.8
123.08102	5.2
123.11720	8.1
125.09638	19.7
129.06987	12.4
131.08565	26.6
133.06509	4.8
133.10118	22.9
135.08041	7.5
135.11713	15.9
137.09631	5.1
137.13303	2.9
142.07811	2.3
143.08565	12.1
145.06471	2.1
145.10146	21.2
147.08073	4.1
147.11696	19.8
149.09641	4.7
149.13268	7.8
153.09154	2.3
155.08571	4.7
157.10159	11.9
159.11723	14.5
161.09604	2.6
161.13277	11.8
163.11209	4.5
163.14941	2.3
169.10152	5.2
171.10426	2.2
171.11694	10.5
173.09695	2.8
173.11882	2.3
173.13263	10.8
175.11162	3.6
175.14836	5.6
177.12746	3.4
177.16476	2.3
179.14268	2.1
181.10225	2.9
183.11714	5.0
185.13263	9.4
187.11197	2.5
187.14809	9.3
189.11218	10.8
189.16452	2.6
193.12305	10.2
195.11714	2.0
197.13231	4.2
199.14731	4.2
209.13336	2.4
211.14961	3.0
215.14354	2.2
227.12822	16.2
243.15984	2.5
247.17154	3.7
249.14906	3.6
259.20642	3.2
261.18405	2.0
261.22064	10.7
267.15909	25.0
278.28546	2.0
285.22330	5.6
299.23920	3.3
301.25284	22.3
303.23343	4.8
315.23004	2.1
317.24991	2.6
335.25821	16.3
359.25879	2.6
417.31812	4.0
421.25839	5.4
435.32742	8.2
453.33551	17.9
471.34839	10.5
509.35712	2.3
527.37360	63.8
545.38379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01869	3.2
55.05511	25.8
57.03440	8.6
65.03933	4.3
67.05502	62.4
69.03425	4.2
69.07053	16.9
70.20943	6.4
71.04983	5.4
71.49530	1.4
79.05489	58.9
81.03410	32.4
81.07055	65.0
83.04962	8.2
83.08620	19.8
85.02891	13.9
85.06536	3.2
91.05482	44.2
91.90394	1.5
93.07041	50.2
93.07629	3.2
95.04967	22.0
95.08604	34.6
95.09523	1.5
97.02913	1.5
97.06528	6.5
97.10164	8.3
105.04568	1.7
105.07035	31.5
107.04947	5.5
107.08597	30.5
109.06531	4.3
109.10148	18.4
111.08065	7.4
115.05510	2.2
117.06993	8.2
119.08573	27.6
121.06515	2.9
121.10149	23.7
123.08064	3.6
123.11707	7.2
125.09593	7.9
129.06998	11.0
131.08569	18.1
133.06508	3.5
133.10136	21.0
135.08101	3.2
135.11688	11.6
137.09625	2.9
143.08578	4.9
145.10141	14.9
147.08099	2.3
147.11700	17.2
149.09624	4.5
149.13287	3.8
151.11130	2.6
157.10147	7.7
159.11676	9.2
161.13217	6.9
163.11150	3.8
163.14900	1.6
165.12784	4.0
169.10208	2.3
171.11732	3.6
173.13301	4.8
175.11211	6.0
183.11737	1.9
185.13225	2.4
187.14796	3.2
189.11198	2.2
191.14325	1.8
193.12230	35.7
196.45140	1.6
209.13263	1.9
211.13271	32.7
220.24748	1.5
227.12798	5.8
259.20715	1.5
261.22116	7.9
267.15991	9.1
271.20874	1.8
299.23721	1.8
301.25400	5.7
335.25781	8.2
435.32663	5.1
453.33777	7.8
456.13052	1.7
471.34753	5.4
521.18384	1.5
527.37274	31.6
545.38367	100.0
546.38257	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
53.53334	2.0
55.01867	4.8
55.05511	29.4
57.03439	7.5
57.07075	2.1
65.03966	1.9
67.05505	60.2
67.88801	1.5
69.03425	4.8
69.07076	16.8
71.04992	3.9
79.05495	42.3
81.03418	22.9
81.07057	56.1
81.07534	3.2
83.04984	6.2
83.08621	20.8
85.06550	4.2
91.05476	33.2
93.07043	32.8
95.04975	19.1
95.08605	31.1
97.06532	4.5
97.10172	21.3
98.20742	2.9
99.08121	1.3
105.06390	2.6
105.07035	29.4
107.04960	4.6
107.08595	27.0
109.06528	7.8
109.10155	25.7
111.08072	3.9
115.05485	1.4
115.78526	1.4
117.07022	11.7
118.99777	1.3
119.08584	24.6
121.06488	7.0
121.10146	17.8
123.08089	3.7
123.11705	9.1
125.09617	14.4
129.06993	8.6
131.08572	22.5
133.10127	17.3
135.08095	6.8
135.11703	11.8
137.09634	3.4
137.13231	2.2
141.06996	2.2
143.08554	8.8
145.10118	18.5
147.08054	3.1
147.11717	12.1
149.09604	3.4
149.13310	6.7
153.09090	1.6
155.08588	4.0
157.10094	8.4
159.11681	11.9
161.09615	3.3
161.13254	9.9
163.11189	2.0
163.14828	2.8
169.10146	4.3
171.10352	2.2
171.11629	7.8
173.13287	9.2
175.11263	5.1
175.14862	4.3
177.12796	2.0
177.70935	1.6
181.10208	2.4
183.11731	3.4
184.71590	1.5
185.13281	4.9
187.11218	1.8
187.13300	1.6
187.14839	6.4
189.11217	9.4
189.16396	1.7
193.12270	13.6
195.11678	1.7
197.13293	4.0
199.14841	2.6
201.16394	3.2
211.13326	6.4
219.13838	1.6
227.12677	7.1
243.21330	2.4
247.16946	2.8
249.14900	1.9
261.18646	1.3
261.19568	1.6
261.22095	10.3
267.15948	17.2
275.20221	1.7
279.23236	2.5
285.22217	3.5
299.23499	1.5
301.21793	3.0
301.25168	19.9
303.23386	2.1
311.23633	1.6
317.24887	1.9
329.24811	2.2
335.25793	11.2
342.97604	1.4
359.25797	2.9
372.82330	1.9
373.27515	1.4
396.73761	1.3
403.25360	1.4
421.25894	4.7
425.34354	1.8
435.32883	7.3
447.40485	1.4
453.33719	14.0
471.34723	11.6
509.36209	2.1
527.37305	53.8
545.38367	100.0
546.38306	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95142	1.5
53.03934	5.3
55.01867	5.8
55.05515	33.2
57.03449	9.3
57.07070	3.1
65.03928	2.7
67.05505	69.8
69.03423	3.8
69.07066	20.0
71.04975	4.4
71.52182	1.9
79.05496	49.4
81.03420	25.2
81.07057	66.9
83.04971	4.5
83.08625	22.0
85.02914	2.0
85.06540	4.4
91.05482	36.5
93.07050	47.5
95.04971	19.7
95.08604	48.7
97.06525	7.0
97.10159	21.5
97.54243	1.5
105.07030	29.9
107.04975	7.6
107.08594	31.4
109.06510	5.0
109.10161	27.7
111.08083	5.7
112.69161	1.5
115.05489	2.1
117.07017	14.8
119.08592	29.4
121.06524	11.3
121.10143	19.9
123.08067	5.5
123.11716	9.4
125.09645	19.1
128.06238	2.5
129.07018	10.2
131.08577	27.1
133.06610	2.4
133.10127	22.1
135.08080	8.2
135.11685	13.3
137.09619	4.5
137.13164	1.8
141.07007	2.6
142.07750	2.4
143.08517	9.7
145.06490	4.5
145.10141	21.7
147.08058	3.6
147.11707	14.0
149.09610	5.8
149.13254	7.3
151.11212	2.5
153.09178	2.3
155.08615	3.5
157.10091	10.5
159.07967	1.6
159.11703	13.9
161.09564	2.3
161.13292	8.3
163.11163	3.1
163.14818	3.3
165.12749	1.8
169.10152	5.5
171.08069	2.0
171.11642	8.2
173.09639	2.0
173.13260	10.4
175.11235	5.8
175.14859	5.0
177.12770	3.3
183.11734	4.8
185.13300	6.1
187.13234	1.9
187.14844	6.2
189.11160	9.6
189.16373	3.5
193.12230	8.2
195.11824	2.2
197.13275	2.4
199.14891	2.4
201.16391	2.9
211.13188	2.8
211.14964	3.2
213.12920	2.0
213.16388	2.2
219.14093	1.9
227.12798	11.0
233.15367	2.8
243.21130	3.1
247.16953	3.6
249.14975	1.8
259.20642	1.8
261.22159	10.8
267.15942	21.2
273.18561	2.0
273.22214	1.6
279.23318	1.7
283.20544	1.8
285.22177	4.0
287.20032	2.2
299.23489	2.4
301.25235	21.2
303.23254	3.7
317.24725	4.0
329.20889	2.1
335.25882	22.4
357.27484	2.2
359.25775	2.7
398.35464	2.1
403.24789	1.8
417.31741	2.0
421.25848	3.9
428.34030	1.6
435.27625	2.1
435.32468	8.1
453.33676	12.4
461.28012	2.5
471.34732	10.3
509.36478	4.2
527.29205	1.8
527.37317	59.3
545.38361	100.0
546.38434	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03937	4.9
55.01860	2.9
55.05509	26.0
55.07979	0.9
57.03438	10.2
57.07066	3.1
58.15699	1.0
65.03931	3.5
67.05507	58.9
69.03438	3.2
69.07069	14.8
69.60635	2.2
69.61040	5.3
71.04989	5.8
73.76313	1.0
74.77350	0.9
75.30293	0.9
79.05495	54.0
81.02928	1.5
81.03418	37.6
81.07056	55.4
83.04974	10.6
83.08615	19.8
85.02911	18.0
85.06529	3.3
91.04900	2.1
91.05482	44.1
93.07046	48.2
95.04969	22.2
95.08609	34.9
97.02892	1.6
97.06536	6.3
97.10173	7.6
99.08101	1.4
103.05502	1.4
105.04490	1.3
105.07030	28.8
107.04969	3.8
107.08587	25.4
109.06524	4.3
109.10152	13.9
110.67415	1.0
111.04449	2.3
111.08065	9.1
113.06054	1.3
115.05471	1.6
117.07025	8.8
119.04932	1.0
119.08584	24.8
121.06519	1.9
121.10141	24.9
123.08073	3.3
123.11716	4.8
125.09629	5.6
127.98227	1.0
128.06203	1.9
129.07014	11.3
129.91508	1.2
131.08560	19.4
133.06531	1.5
133.10144	16.7
135.08066	2.0
135.11681	11.9
137.09633	2.5
137.13232	1.7
139.11162	0.9
142.07860	2.3
143.08580	4.0
145.10123	9.8
147.08096	2.4
147.11705	12.7
149.09650	5.4
149.13271	5.0
157.10139	10.0
159.11694	9.0
161.13235	5.7
163.11153	1.6
163.14879	1.7
165.12746	2.1
169.10292	1.2
171.11714	2.4
173.13284	4.4
175.11176	11.7
175.14919	3.2
181.09956	1.2
183.11746	1.5
185.13316	2.2
187.13322	1.0
187.14883	3.8
189.11287	1.5
190.37758	1.0
193.12247	37.4
199.14922	1.6
209.13377	1.2
211.13287	35.5
217.59598	1.0
227.12816	2.7
243.21007	1.0
249.14925	1.1
261.22086	6.5
267.15927	6.7
280.81485	0.9
285.22156	1.7
299.23544	1.2
301.25214	5.3
317.24792	1.6
335.25977	3.8
374.68436	1.3
417.31909	1.1
435.32715	4.4
453.33740	5.5
471.34930	3.5
509.36359	1.2
527.37378	20.4
545.38385	100.0
546.39014	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18067	1.7
52.68471	2.0
53.03935	4.8
55.01865	5.2
55.05512	36.0
57.03436	11.4
62.59518	1.9
65.03933	4.3
67.05505	64.0
69.03419	3.6
69.07071	17.2
71.04990	3.3
79.05059	3.4
79.05491	46.4
81.02983	2.6
81.03419	22.5
81.07058	61.0
82.07370	1.6
83.04982	9.4
83.08614	19.0
85.06553	4.2
91.05486	38.4
91.06032	1.3
91.43631	1.7
93.07043	40.6
93.07625	2.4
95.04966	20.9
95.08607	39.9
97.06524	4.3
97.10166	21.3
105.07025	32.5
107.04945	5.2
107.08593	27.9
109.06529	5.3
109.10153	24.8
111.08082	4.4
115.05437	2.1
117.07000	13.7
119.08579	28.3
121.06512	9.7
121.10153	18.6
123.08085	4.9
123.11703	10.2
125.09615	17.3
128.06244	2.0
129.07024	10.6
131.08572	23.8
133.06453	2.1
133.10150	20.1
135.08060	6.5
135.11708	11.0
137.09599	5.3
141.06967	2.5
142.07845	2.1
143.08553	9.5
145.06435	2.6
145.10109	23.1
147.08058	3.6
147.11694	14.7
149.09625	4.8
149.13225	7.1
155.08514	2.5
157.10150	12.1
159.08101	2.6
159.11688	15.0
161.09619	1.8
161.13264	8.8
163.11250	4.3
163.14818	3.9
165.12762	1.6
169.10120	7.9
171.10278	2.9
171.11685	7.9
173.11980	2.2
173.13234	10.9
175.11172	5.4
175.14886	4.9
177.12798	3.7
179.14206	2.1
183.11688	5.0
185.13304	5.3
187.11212	2.2
187.13307	1.7
187.14874	3.0
189.11232	12.2
189.16423	1.8
193.12244	8.9
197.13318	3.9
199.14799	3.2
201.16451	3.3
209.13376	3.4
223.13185	2.1
227.12820	14.8
229.73866	2.0
233.15457	3.1
237.16405	2.3
247.16943	3.1
252.76900	1.8
261.22165	13.2
267.15933	22.1
285.22144	5.4
291.19522	2.8
299.23734	2.1
301.25302	20.5
303.23401	3.1
317.24576	2.5
329.21448	2.0
335.25922	14.1
359.25772	2.8
403.24850	2.7
417.31250	3.3
421.25940	4.8
435.27423	3.2
435.32349	8.7
453.33640	18.2
471.34842	14.2
491.35464	2.1
521.38055	2.0
527.37329	59.2
545.38385	100.0
546.39166	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.0
53.03954	4.4
55.01870	3.2
55.05510	21.3
57.03441	9.4
57.07071	1.8
59.05007	1.2
64.34434	0.9
65.03943	3.7
65.25506	1.0
67.05505	51.5
69.03434	4.1
69.07073	15.2
71.04994	4.7
71.08623	1.3
71.94179	0.8
74.17331	0.8
75.36916	0.9
77.03896	0.9
77.40663	1.0
78.28763	0.9
79.05494	48.8
81.02933	1.4
81.03419	35.8
81.07058	52.3
83.04989	8.4
83.08619	20.3
85.02905	18.1
85.06546	2.2
87.96956	0.8
91.04902	1.4
91.05482	40.2
93.07045	48.9
95.04965	20.9
95.08605	33.5
97.02920	2.3
97.06522	5.5
97.10175	7.6
99.08112	2.2
105.07030	30.5
107.04965	3.6
107.08598	24.4
108.17418	0.9
109.06513	4.5
109.10157	13.1
111.04427	2.0
111.08067	9.3
113.05996	1.7
115.05468	1.3
117.07018	7.0
119.08586	23.5
121.06535	1.9
121.10147	21.8
123.08104	3.1
123.11729	5.1
123.12502	0.9
125.09653	4.7
129.06995	10.2
131.08575	17.4
133.06531	1.8
133.10133	15.0
135.08057	2.2
135.11696	13.3
137.09599	2.8
141.07001	2.7
142.07764	2.9
143.08562	4.5
145.06471	1.3
145.10123	11.2
147.08063	2.1
147.11684	12.4
149.09615	4.8
149.13225	4.9
155.08549	2.1
157.10133	10.9
159.11697	8.0
161.09656	1.2
161.13211	4.7
163.11221	1.2
163.14755	1.2
165.12796	3.4
169.10191	2.4
171.11719	3.4
171.31870	1.0
173.12013	1.1
173.13216	5.7
175.11214	8.3
175.14812	2.0
179.14333	1.1
183.11685	1.3
185.13327	2.9
186.11711	1.0
187.14879	4.0
189.11252	2.6
193.12250	37.9
195.11667	1.0
197.13283	1.8
199.14818	1.6
201.16418	1.9
209.13281	1.4
211.13280	43.3
211.15227	2.2
227.12817	3.5
229.68803	1.1
235.91325	0.9
243.06810	0.9
243.21227	1.0
249.15021	1.0
261.22095	6.9
262.65234	0.9
267.15875	7.0
269.17764	1.1
273.22037	1.3
275.20215	1.0
285.22089	1.9
301.25388	5.1
303.23389	2.1
313.21738	1.0
317.24716	1.4
335.25836	4.2
341.24588	1.6
417.31522	1.7
435.32721	5.2
453.33572	7.4
471.34695	3.2
491.35629	1.1
509.36588	1.2
527.37292	22.6
545.38379	100.0
546.38861	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62135	0.2
55.01866	0.3
55.05500	0.6
57.03447	0.3
61.02936	0.4
67.05500	0.4
69.03427	0.7
69.07067	0.7
69.40952	1.9
69.41360	0.3
70.06595	0.3
72.08151	0.4
73.17839	0.3
79.05489	0.7
80.69942	0.2
81.03427	0.6
81.07059	1.8
81.43447	0.2
84.08144	0.5
85.02901	1.0
88.90990	0.2
91.03948	0.3
91.05476	0.7
93.07035	0.3
95.04974	0.6
95.08608	0.7
97.02895	0.6
97.06525	0.4
98.97604	0.3
99.04456	0.2
99.81017	0.2
105.07021	0.8
107.04963	0.4
107.08612	0.4
109.02880	0.4
109.06517	0.3
109.10159	0.5
117.03432	0.5
119.04930	0.5
119.08598	0.4
121.06603	0.3
121.10144	0.3
123.08050	0.3
123.11752	0.3
125.09682	0.3
127.03945	1.0
131.08615	0.3
135.04436	0.2
135.08076	0.3
137.06007	0.7
143.05663	1.5
145.02914	0.8
145.10124	0.3
147.04428	0.7
147.11627	0.3
153.01878	0.7
161.13306	0.3
163.11183	0.2
167.07080	0.6
175.03999	0.6
177.05450	2.1
193.05225	0.2
207.06523	1.4
219.10091	0.3
273.18692	0.3
275.74603	0.2
287.05557	0.3
311.05301	0.2
325.07138	0.3
350.07758	0.7
353.10229	0.3
365.10150	2.3
367.11807	0.3
383.11182	3.0
383.28046	0.7
384.11496	0.5
389.44434	0.3
422.67853	0.3
497.30875	0.4
545.33014	100.0
546.33130	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51879	0.3
51.72427	0.2
55.01860	0.5
55.05511	0.4
56.96553	0.3
57.03452	0.4
67.05501	0.9
69.03436	0.7
69.53606	0.7
69.54015	1.4
70.06589	0.9
71.04998	0.3
72.08163	0.3
79.05495	0.5
81.03421	0.6
81.07062	0.6
83.04980	0.6
84.08145	0.3
85.02907	1.0
86.09693	0.7
91.05510	1.5
93.07027	0.6
95.04967	0.6
95.06126	0.3
95.08599	0.5
97.02891	0.8
97.06525	1.0
98.09683	0.6
98.20749	0.6
99.04436	0.5
105.07064	0.4
107.04931	0.5
107.08624	0.5
109.02901	0.6
109.06582	0.4
109.10165	0.5
111.04473	0.3
113.09537	0.4
119.04950	1.2
119.08595	0.5
121.02886	1.0
121.06499	0.3
121.10157	0.5
127.03932	0.6
131.04916	0.4
131.08583	0.4
133.06532	0.3
137.05975	0.6
138.05544	0.3
143.05635	2.4
145.02832	1.0
146.45049	0.3
147.04410	0.7
149.06085	0.4
151.03951	0.4
153.01801	0.9
167.07072	1.2
173.07994	0.3
175.03943	0.7
177.05521	0.9
189.05589	0.3
199.02411	0.6
207.06618	1.3
241.05080	0.4
269.04514	0.8
269.08173	1.0
271.06027	0.4
281.04410	1.3
283.06104	0.3
287.05511	0.3
295.05988	0.5
296.09250	0.7
297.04208	1.7
297.07126	0.5
297.09851	0.5
298.07379	0.5
299.05341	1.5
311.05518	1.2
323.05435	0.9
325.06967	0.4
329.06723	0.3
337.07068	0.4
339.08658	1.3
353.10461	0.4
383.11243	2.9
383.27310	0.6
395.11395	3.3
396.11697	0.4
421.12936	0.7
425.12344	3.7
426.12775	0.5
435.14661	0.3
449.12424	2.5
461.12222	0.4
473.12598	0.5
479.13989	0.6
491.13538	1.0
501.26630	0.4
509.14493	1.3
515.32056	2.2
527.15491	0.7
527.32043	1.0
545.32996	100.0
546.33350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.3
55.01862	12.1
55.05505	40.9
57.03438	21.8
61.02925	25.0
67.05504	61.4
69.03435	35.0
69.07058	32.6
71.05003	8.8
71.60970	7.2
73.02914	8.6
79.05481	55.3
81.03419	77.6
81.07056	67.0
83.04993	22.1
83.08621	34.5
85.02901	37.2
85.06567	7.6
91.03956	13.2
91.05473	49.4
93.07049	48.1
95.04971	36.5
95.08610	27.3
97.02898	31.5
97.06505	11.0
97.10161	42.0
99.04451	7.5
101.02355	4.8
104.39310	4.2
105.07021	36.8
107.04958	15.5
107.08600	30.4
109.02936	8.2
109.06497	11.6
109.10167	13.3
111.08080	13.8
117.07006	14.4
119.08592	40.8
121.06538	15.5
121.10131	20.4
123.08047	20.8
125.09618	26.4
127.03903	12.2
129.07019	14.1
131.08589	18.6
133.06494	10.5
133.10121	14.1
135.08075	7.8
135.11665	10.4
137.09578	6.9
143.08562	8.6
145.10138	16.1
147.04367	4.3
147.08086	15.0
147.11681	13.3
149.09625	9.3
157.10144	15.5
161.09688	7.0
163.11192	7.2
165.09084	7.2
175.11182	9.9
177.05428	5.6
181.12117	4.7
189.11258	27.3
193.12234	36.2
196.12726	5.1
207.06593	6.1
211.13269	47.2
213.16409	5.1
223.13188	21.2
227.12796	13.1
245.18979	6.7
249.14850	4.9
267.15939	17.0
273.18497	32.4
285.17014	42.6
289.94818	4.6
291.19556	100.0
292.67392	5.7
347.22040	7.2
361.73199	4.5
365.23206	75.4
383.24478	12.1
527.28210	10.0
545.34576	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	545.1996
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
52.12343	0.4
55.95870	0.3
59.29031	0.4
61.02915	0.4
69.03442	0.6
71.27583	0.7
72.08152	0.4
74.36576	0.4
79.05500	0.6
81.03400	0.6
85.02908	0.8
86.09695	0.8
91.05482	0.9
93.07057	0.5
95.08575	0.6
107.08656	0.5
119.04970	0.6
127.03954	0.6
131.08632	0.5
137.05930	0.5
143.05644	17.8
144.05978	0.7
147.04353	0.5
175.03943	0.5
177.05460	0.5
207.06599	1.2
297.03912	0.5
308.38663	0.4
318.60657	0.4
365.13846	0.8
383.11325	1.0
395.11292	1.0
530.18518	0.5
545.19946	100.0
546.20129	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.7
53.32791	2.2
55.05503	7.4
56.33892	2.2
56.96552	3.1
57.03441	13.6
61.02911	5.2
65.03924	2.6
66.47622	2.4
67.05511	25.7
69.03427	10.6
69.07066	8.5
71.04981	3.2
71.69209	2.4
73.02915	2.3
79.05488	12.8
81.03407	6.7
81.07049	17.4
83.04977	5.9
83.08629	4.3
85.02904	13.1
85.06549	11.1
89.03897	4.3
91.05472	21.4
93.07043	17.4
95.04963	23.9
95.08626	15.3
97.02888	6.9
97.06516	6.4
97.10190	3.9
105.07036	13.8
107.04967	6.0
107.08589	12.7
109.02875	4.9
109.06532	19.5
109.10173	7.4
111.08052	3.1
113.06005	26.6
115.05445	3.1
117.03404	6.5
117.07017	3.2
119.04942	7.5
119.08565	8.2
121.10139	9.6
122.05962	3.0
123.08012	3.5
123.11681	7.2
125.09591	4.0
127.03913	8.9
128.06168	2.4
129.07048	4.7
131.08572	7.4
133.06528	3.6
133.10144	9.1
135.08047	14.3
135.11713	6.8
137.05922	7.5
143.05647	8.0
143.08572	3.6
145.02850	13.0
145.10040	5.4
147.04402	8.6
147.08008	2.8
147.11664	2.6
157.10153	2.8
159.41679	2.5
161.09674	2.9
163.11223	2.9
167.07042	4.9
175.03929	9.0
175.14824	3.2
177.05475	29.6
193.70970	2.4
205.61458	2.5
207.06503	13.6
217.15892	5.1
257.04428	23.9
258.05179	6.0
267.09213	2.5
273.18582	10.0
286.04712	8.0
287.05542	24.3
291.19510	32.3
297.04050	4.4
297.07425	2.7
297.24124	3.4
347.22125	3.9
365.23227	31.1
383.11264	100.0
383.27502	10.5
384.11697	3.9
545.25793	5.0
545.33209	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	545.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
57.03430	0.3
65.03938	1.1
67.05498	0.4
69.03433	1.8
70.06581	0.5
71.04993	0.4
72.08155	0.6
73.02904	0.3
79.05514	0.2
81.03416	0.8
82.58160	0.2
83.02503	0.3
83.04995	0.9
84.08138	0.2
85.02908	1.4
86.09207	0.2
86.09709	2.0
87.04459	0.2
87.06717	3.9
88.76300	0.2
91.05492	0.3
93.03397	0.7
93.57744	0.2
95.05006	0.3
97.02898	0.7
98.20754	0.2
99.04441	0.5
101.03477	0.2
103.03938	0.2
105.37897	0.2
109.02865	0.5
111.04440	2.2
113.04586	0.3
121.02872	1.9
123.04394	0.2
125.04655	0.3
127.03936	0.3
133.07579	0.2
135.04390	0.2
135.90402	0.2
136.07588	0.2
137.05917	0.2
138.21516	0.2
139.03896	0.4
141.04092	0.8
142.04953	0.2
143.05647	100.0
144.06009	0.5
145.02937	0.3
145.07581	0.9
147.04449	0.5
152.04605	0.2
161.07144	0.3
163.03935	0.2
163.07454	0.2
163.08679	0.7
175.03947	0.3
175.08702	0.2
177.05417	0.2
185.06628	0.3
189.06610	0.8
199.18112	0.3
205.05077	0.2
207.07706	4.5
220.88358	0.2
227.17525	0.5
230.53998	0.2
232.07159	0.6
251.05501	0.3
277.11603	0.2
278.12732	0.2
279.13483	0.5
287.10001	0.2
305.11392	0.4
319.16385	0.3
323.12357	2.6
348.11978	2.4
366.12967	3.9
413.29736	0.2
443.14441	0.3
510.17270	0.3
519.46326	0.2
528.18262	5.3
529.18713	0.2
545.17273	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	545.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37358	0.1
55.01881	0.1
67.01550	0.1
67.01871	0.5
67.05491	0.1
68.99796	0.3
69.03419	0.3
69.07068	0.5
78.22803	0.1
79.05476	0.3
81.03416	0.3
81.07040	0.2
82.31865	0.1
85.02900	0.2
85.06505	0.1
89.03916	0.3
91.05488	0.3
92.19612	0.1
93.07026	0.2
97.02883	0.2
97.57063	0.1
105.06984	0.1
107.04948	0.2
109.02876	0.2
109.10132	0.1
111.04431	0.1
117.03404	0.2
121.10117	0.1
127.03908	0.3
133.10101	0.1
135.04410	1.4
137.02345	0.6
143.05646	0.1
147.04414	0.2
153.01834	4.0
161.02307	0.5
167.07011	0.1
171.02914	0.8
175.03920	0.2
177.05449	0.3
179.03374	0.3
203.03384	0.1
207.06537	0.3
213.05476	0.2
222.04372	0.1
241.04858	0.6
241.10617	0.2
252.33133	0.1
257.04459	1.2
258.05295	0.4
259.06067	0.2
263.05716	0.1
269.04510	0.3
277.83606	0.1
286.04703	1.1
287.05490	100.0
288.05753	0.5
356.02484	0.1
383.11255	4.9
387.36734	0.1
440.33163	0.1
537.62988	0.1
545.16626	0.8
545.31952	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	544.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11099	0.3
53.03936	0.4
53.74812	0.3
55.01877	0.3
57.03421	0.3
69.03441	1.2
70.06590	1.1
70.26055	1.2
70.26473	0.6
71.05005	0.3
73.02925	0.5
81.03419	4.2
84.08173	0.4
85.02909	1.4
86.09705	0.5
89.03915	6.1
89.30325	0.4
91.05481	0.6
95.04982	0.5
97.02866	0.9
99.04462	0.8
106.04215	0.4
109.02884	1.4
111.26257	0.3
117.03381	17.4
127.03909	1.1
132.04456	7.5
134.03642	1.1
135.04424	1.8
137.05965	0.5
143.05676	0.8
145.02844	46.7
146.03255	0.3
147.04382	0.5
148.07350	0.3
149.05981	6.1
163.03932	0.5
165.50441	0.3
167.07114	0.4
177.05469	100.0
178.04985	62.9
179.05429	0.6
186.05432	0.6
195.06474	0.8
206.04488	88.6
207.04832	1.1
271.05981	0.4
313.11823	0.4
321.09717	6.5
339.10715	3.7
368.09711	1.5
403.14960	0.9
500.25186	0.6
512.20148	0.8
526.22870	0.5
544.24146	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	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63233	0.7
52.69057	0.8
53.03946	4.9
55.01868	3.6
55.05262	1.3
55.05510	17.6
57.03426	2.4
57.07069	1.6
61.48133	0.7
63.35231	0.8
65.03940	2.1
67.05504	42.5
69.03418	2.3
69.07065	14.4
70.14021	1.5
70.14415	1.8
71.04993	2.9
73.02917	1.2
78.57523	0.8
79.05492	55.0
81.03416	2.6
81.07055	42.0
83.04966	4.9
83.08622	8.8
85.06519	1.5
91.04895	1.0
91.05479	27.2
93.07043	61.0
95.04963	12.6
95.08607	43.6
97.02910	4.1
97.06530	5.8
97.10149	2.2
99.04454	3.1
103.05453	1.4
105.04539	1.2
105.07024	22.0
107.04948	6.0
107.08594	35.8
109.06504	4.0
109.10159	10.6
111.04419	1.3
111.08055	1.5
115.05464	1.8
117.06999	13.7
119.08581	17.4
121.06506	5.7
121.10145	24.7
121.11028	1.2
123.08059	1.1
123.11726	2.0
125.05992	1.9
125.09636	1.3
129.06982	2.4
130.07777	2.3
131.08563	9.7
133.06462	1.0
133.10130	12.3
135.08070	2.4
135.11690	45.7
139.07529	1.6
143.08563	2.1
145.06435	1.1
145.10120	28.6
147.11633	3.9
149.09647	1.5
149.13275	4.4
151.11133	1.0
155.08556	2.0
157.10098	2.2
159.11703	5.9
161.13260	2.9
163.11182	52.8
169.10179	1.6
171.11682	1.8
173.09584	1.7
173.13287	3.3
175.14807	1.0
177.12831	1.1
179.14246	0.8
181.10504	1.0
181.12207	12.9
185.13341	1.1
187.11189	0.8
187.14803	1.0
189.11247	1.5
191.10669	1.0
195.11839	0.9
209.11771	2.0
227.12776	100.0
259.20578	1.1
261.22186	5.5
275.20117	6.4
283.15497	1.1
297.22086	0.8
299.23660	1.1
317.24725	2.4
385.62524	1.0
433.31024	1.2
451.32111	3.1
469.32880	1.4
525.35809	4.6
543.36804	66.5
572.15875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01860	3.6
55.05512	18.4
57.03414	2.5
57.07073	1.6
62.19096	1.1
65.03922	3.1
67.05505	43.9
68.05821	3.9
69.03392	1.2
69.06766	1.4
69.07066	13.3
69.34553	13.4
71.04993	2.5
79.05491	53.2
80.05816	6.0
81.03404	2.8
81.07056	46.3
82.07364	2.3
83.04960	6.0
83.08619	11.0
85.06540	2.7
88.05811	1.2
91.05475	33.0
92.05804	3.7
93.07043	64.4
94.07361	5.0
95.04974	14.8
95.08604	47.1
95.53000	1.4
96.08932	1.7
97.02874	4.4
97.06490	5.4
97.10142	1.8
99.04474	2.6
103.05438	1.3
105.06388	2.1
105.07036	23.9
106.07332	2.8
107.04949	7.2
107.08595	39.2
108.08908	2.6
109.06504	4.5
109.10162	9.5
110.10433	1.3
111.08088	3.5
117.06993	13.7
119.08578	20.3
120.08923	2.3
121.06492	4.9
121.10136	23.9
122.10467	1.4
123.08065	1.9
123.11730	1.5
125.05964	2.6
129.06975	2.2
130.07767	1.6
131.08568	8.5
133.10129	9.1
135.08066	2.7
135.11682	38.7
143.08543	3.4
145.10127	28.7
147.11684	8.6
148.12025	2.3
149.13255	4.5
155.08510	2.0
157.10075	1.9
159.11658	4.8
161.13271	5.3
163.11182	53.8
163.14816	2.5
171.11670	3.0
172.12038	2.3
173.13333	2.6
181.12248	15.0
183.11688	1.7
185.13213	1.9
190.13004	1.3
197.13225	1.3
208.14215	2.1
227.12776	100.0
261.22198	7.8
262.22421	1.3
275.19968	2.8
317.24759	2.8
525.35632	3.1
543.36816	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.8
51.16309	0.6
53.03949	2.7
55.01868	3.4
55.05506	13.1
57.03407	2.5
57.03657	0.5
57.07053	1.3
65.03909	2.3
67.05502	32.0
69.03393	1.4
69.07067	10.3
71.04976	2.7
72.44713	0.5
73.02891	1.4
79.05489	42.3
79.64964	0.5
81.03399	2.2
81.07054	33.3
83.04956	3.4
83.08227	0.7
83.08612	7.1
85.06517	1.2
89.47856	0.5
91.05479	19.8
93.07038	51.9
95.04973	10.2
95.08603	41.0
97.02879	3.5
97.06510	3.8
97.10166	1.5
99.04414	3.1
103.05427	1.2
105.04488	1.1
105.07030	15.8
107.04955	8.3
107.08589	32.5
109.06532	2.8
109.10155	6.9
111.04424	1.1
111.08045	1.6
113.05979	0.7
113.09627	0.6
115.05442	0.9
117.07003	11.0
119.08578	14.4
121.06507	4.0
121.10136	19.5
121.11021	1.0
123.08014	1.2
123.11681	1.6
125.05972	1.9
129.06979	0.8
130.07761	2.4
131.08568	5.7
133.10132	5.6
135.08008	1.6
135.11685	44.0
136.12007	0.5
139.07471	0.9
143.08528	1.5
145.06418	0.7
145.10112	27.1
147.11713	3.0
149.13232	2.5
153.12814	0.8
159.11676	2.4
161.13231	1.6
163.11174	51.0
165.12790	0.6
171.11526	0.6
173.13242	2.0
175.14795	0.8
176.89667	0.5
181.10767	1.0
181.12231	12.7
187.14746	1.1
201.16299	0.7
209.11711	2.2
215.30150	0.6
227.12773	100.0
228.13110	1.2
243.21083	1.0
261.22046	5.7
275.19748	0.6
317.24713	1.3
525.35895	1.4
538.06970	0.6
543.36798	49.5
544.37140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
53.03936	4.4
55.01861	3.1
55.05510	24.4
57.03424	4.6
57.07063	3.6
65.03931	4.2
67.05505	54.8
69.03428	3.1
69.07065	17.2
69.26726	2.1
69.27130	10.9
71.04978	5.5
77.03934	1.4
79.05492	65.8
81.03406	3.7
81.07058	60.6
83.04993	6.7
83.08622	12.5
83.41698	1.0
83.42313	1.0
85.06541	3.5
91.04903	1.5
91.05482	39.6
93.07044	72.8
95.04972	15.4
95.08606	52.6
97.02892	4.2
97.06551	8.1
97.10169	1.3
99.04451	3.5
103.05447	1.3
105.04517	2.0
105.07032	30.1
107.04952	9.4
107.08593	47.6
109.06512	5.6
109.10164	12.6
111.04424	2.3
111.08079	3.3
115.05479	2.2
117.07030	17.0
118.98557	1.0
119.08575	26.2
120.52293	1.0
121.06516	6.0
121.10140	28.0
123.08089	1.7
123.11703	3.6
125.05960	2.3
125.09628	2.3
129.07013	4.5
130.07811	2.7
131.08569	16.4
133.10132	18.4
135.08043	3.3
135.11691	49.0
135.12732	2.4
137.09586	1.9
139.07515	1.2
139.11264	1.2
141.06891	1.3
143.08568	4.3
145.10127	34.2
145.11296	1.6
147.11693	7.7
149.09627	3.1
149.13313	7.7
153.12718	1.4
155.08543	2.0
157.10139	3.8
159.11729	9.6
161.09613	1.1
161.13286	3.5
163.11180	56.2
163.14787	1.8
169.10094	1.8
171.11667	2.4
173.09718	1.1
173.13242	5.9
175.14880	1.9
175.41588	1.1
177.12740	1.0
179.14323	1.2
181.12248	11.8
183.11720	2.2
185.13171	2.4
187.14812	3.2
191.61536	1.1
197.13196	2.1
209.11699	2.8
227.12778	100.0
239.17947	2.0
243.21045	1.8
257.18973	2.3
261.22113	8.3
275.20059	18.9
283.15405	1.4
299.23715	1.8
317.24728	2.6
400.32196	1.0
415.29510	1.3
433.31265	2.4
451.32062	3.5
515.37891	1.3
525.35760	6.1
543.36798	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05523	0.3
57.03432	0.3
58.63140	0.1
67.05496	0.3
69.03423	0.3
69.07057	0.3
69.69521	1.0
70.06590	0.2
71.04976	0.5
73.04046	0.2
79.05484	0.6
81.03396	0.4
81.07056	0.5
81.61724	0.1
83.04996	0.2
83.08598	0.3
85.02888	0.4
85.06516	0.2
87.06717	2.9
89.03911	0.4
91.05487	1.8
93.07059	0.8
95.04950	0.5
95.08620	0.4
97.02874	0.2
97.06511	0.3
99.04498	0.1
104.22808	0.1
105.07041	1.0
107.04917	0.1
107.08601	0.5
109.06490	0.3
109.10194	0.2
111.08058	0.5
117.03389	0.4
117.07029	0.2
119.04948	1.2
119.08553	0.7
121.06465	0.2
121.10154	0.4
123.08094	0.7
126.02972	0.2
127.03922	0.4
129.09056	0.3
133.02843	0.2
133.10109	0.4
135.04411	0.9
137.05939	0.2
141.04033	0.3
143.05641	100.0
144.06026	0.2
145.02885	1.0
145.06223	0.1
145.10077	0.4
147.04419	1.2
147.11667	0.6
151.03903	0.1
157.10066	0.2
161.05922	0.2
162.09149	0.3
163.03908	5.1
163.11194	0.2
167.07039	0.2
175.03923	2.6
175.14839	0.2
176.04283	0.2
177.00737	0.2
177.05469	0.2
179.07085	0.2
180.10214	0.3
182.64882	0.2
185.06825	0.2
185.13260	0.2
203.14363	0.3
207.06535	4.5
208.09737	0.3
209.09984	0.3
221.15324	0.3
305.10886	0.4
311.12750	0.2
319.07999	0.8
328.13312	0.1
330.33740	0.1
335.12515	0.2
363.10724	0.5
493.17993	0.2
499.25055	0.2
511.19452	0.5
543.18408	1.0
543.26294	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	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.43303	1.3
71.43639	1.4
85.02905	2.4
86.39117	1.3
97.02852	1.4
108.96381	1.2
127.03909	2.4
136.06206	1.8
153.11221	1.4
159.63878	1.4
163.03862	1.5
183.29904	1.3
250.69365	1.2
278.26376	1.3
302.82877	1.3
363.06863	2.6
381.07916	18.7
421.37234	1.2
543.13141	100.0
544.13672	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.0
69.03438	0.7
69.07056	0.9
70.06589	0.8
70.08681	3.4
71.04984	1.7
79.05496	1.0
81.07059	1.6
83.05029	0.8
85.02917	1.7
86.09701	1.4
87.06725	0.9
91.05493	2.3
93.07036	1.4
95.08606	0.9
96.12541	0.7
97.06528	0.8
98.97620	0.9
105.07039	1.2
107.08606	0.9
109.02901	1.0
109.10210	0.7
111.08064	1.0
117.07006	0.9
119.08584	1.0
122.06052	0.8
127.03963	1.0
133.10049	1.0
137.06006	1.2
143.05640	25.1
145.02861	0.8
147.04411	1.2
151.03925	1.1
162.09137	3.5
163.09518	1.9
167.07021	1.1
175.04033	0.9
177.05525	1.6
180.10181	4.0
181.10501	0.7
190.08588	0.9
207.06541	1.1
208.09692	7.3
209.10043	5.6
229.74194	0.8
243.04953	0.9
245.06305	0.8
267.11301	0.8
268.11725	0.7
277.17657	2.6
282.09485	1.0
287.03857	0.9
295.18851	8.9
303.09894	1.3
304.10104	1.7
323.18335	1.0
335.12378	1.0
336.12552	1.5
358.84509	0.8
381.10156	0.8
427.19418	1.1
439.22736	1.7
457.23972	7.7
463.22910	0.9
481.24170	3.7
493.17993	2.3
499.25168	28.0
507.21896	4.7
511.19229	4.1
525.23090	10.6
541.62622	0.7
543.24133	100.0
544.24011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64718	0.7
59.85757	0.6
65.35387	0.7
70.27475	1.4
70.27872	1.5
71.38829	0.6
82.04918	0.7
111.11005	0.6
112.69178	0.6
119.59143	0.8
127.86008	0.6
152.06006	0.8
185.03011	0.8
232.03537	1.0
363.06863	4.4
381.07880	12.1
381.12341	1.0
543.13214	100.0
544.13818	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.05511	2.0
56.42840	1.2
56.96559	1.9
57.60207	1.2
58.07970	1.3
61.02905	1.3
65.03958	1.4
65.24629	1.2
67.05495	3.6
69.03413	3.9
69.07059	4.3
69.59655	1.1
69.73045	6.3
69.73454	2.4
70.06580	3.3
71.04990	1.6
77.97454	1.1
79.05489	3.1
81.03416	1.5
81.07059	3.0
85.02910	6.1
87.06675	1.8
91.05486	17.7
93.07040	12.8
94.06565	6.4
95.04973	6.1
95.08634	2.2
97.02911	2.8
103.05494	1.5
105.07009	1.9
106.06548	1.4
107.04967	1.9
107.08530	1.9
108.08136	2.9
109.02892	1.6
109.06567	2.8
110.06058	1.5
111.08088	10.6
114.11753	1.4
117.07027	1.8
117.65542	1.2
119.04950	2.3
120.08099	3.0
121.06502	2.7
122.06049	12.1
124.07660	2.2
127.03922	2.5
132.08110	2.7
133.09970	1.5
134.05946	1.8
134.09660	8.2
135.08037	4.0
135.11703	1.2
136.07584	9.1
137.05981	4.6
138.05473	2.5
138.09140	4.2
139.07549	2.0
140.03429	2.0
140.07060	5.7
143.05644	52.0
144.06030	3.6
144.08107	2.9
145.02928	1.6
146.05998	2.0
147.04466	1.8
147.06808	1.8
148.07568	1.6
150.09193	3.2
152.07101	1.2
152.10664	3.8
154.05038	2.2
154.08598	2.0
162.05511	2.4
162.09145	52.8
163.07527	2.2
164.07091	1.9
166.05032	3.4
166.08566	3.1
167.07188	1.8
172.07585	2.1
175.03946	2.3
176.07040	1.2
177.05447	1.7
177.54883	1.3
178.08627	1.8
180.10207	41.3
182.08270	1.7
182.09680	1.5
183.09163	1.8
184.07578	1.5
188.07021	2.0
190.04977	1.8
190.08635	9.6
199.08653	1.6
201.10330	1.5
207.06512	1.6
208.09697	100.0
211.08675	3.9
212.90120	1.3
213.06557	1.4
213.10277	2.5
214.08655	2.2
215.08185	4.4
216.06584	1.9
224.09198	1.4
225.10233	1.9
227.08113	2.0
229.09688	3.4
231.11334	1.5
237.10199	4.3
239.08194	5.2
239.11751	2.4
241.09755	3.0
242.08311	2.8
243.07622	2.9
251.08127	2.3
251.11758	2.4
253.09721	3.1
255.07666	1.6
255.11423	2.3
257.09216	4.7
259.10779	1.6
261.08646	2.2
265.09674	4.3
267.07693	5.3
267.11343	2.2
269.09363	2.5
273.08829	2.3
275.10220	2.1
279.07867	2.8
279.11279	3.4
281.09183	6.5
283.07248	2.3
283.10706	5.1
285.08728	6.6
285.12122	2.3
293.09140	7.0
295.07178	1.9
303.09708	25.4
309.08771	3.0
311.10291	11.5
311.13641	2.0
313.11862	2.9
325.11847	7.3
327.09711	7.1
329.11511	2.6
329.62878	1.7
335.12433	26.0
337.07898	1.8
343.12833	1.8
347.00803	1.5
353.11356	3.3
355.09204	2.9
361.13800	2.1
371.12378	4.9
373.64316	2.7
374.14496	3.8
385.14008	1.7
389.65631	3.5
390.15677	5.3
390.65790	2.6
401.13486	3.0
446.17252	2.7
474.16656	5.2
478.19626	5.4
492.17645	16.2
496.20505	1.7
499.24579	1.4
506.19287	10.7
510.18707	45.2
524.20459	13.1
542.21399	56.7
543.24036	6.5
558.70477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26949	0.7
51.02363	1.5
53.03943	6.8
55.01863	3.8
55.05508	29.1
57.03433	3.8
57.07064	2.1
59.20778	0.6
62.22137	0.7
65.03931	5.3
66.04705	0.8
66.50937	0.7
67.05502	83.4
69.03425	2.6
69.07062	18.5
71.04993	4.4
73.06554	1.4
77.03942	1.7
79.05490	100.0
81.03423	7.8
81.07055	65.0
83.04980	12.2
83.08620	10.5
85.06547	2.6
91.05476	69.6
91.24152	0.7
93.07039	88.1
95.04353	1.5
95.04966	27.2
95.08603	44.2
97.02857	1.0
97.06537	6.0
97.10161	4.2
98.20782	1.2
99.08120	0.7
103.05451	1.7
105.04509	2.7
105.07025	47.9
107.04951	5.9
107.07865	1.7
107.08591	32.7
109.06501	5.5
109.10158	13.6
111.08094	2.5
115.05418	1.9
117.07014	12.4
119.08578	31.0
121.06503	2.1
121.10139	23.4
121.11024	1.2
123.08078	4.6
123.11718	2.3
125.09659	1.2
127.07539	1.7
128.06221	3.1
129.06998	14.9
130.07813	1.0
131.08560	13.1
133.06523	0.9
133.10130	17.1
133.11078	1.2
135.08073	1.3
135.11696	12.4
137.09636	1.4
137.13184	0.7
141.06998	1.3
141.09062	1.9
142.07751	0.8
143.08553	10.0
145.10110	15.0
147.08078	1.9
147.11688	34.5
149.13260	4.1
155.08604	2.2
157.10138	1.7
159.11664	5.4
161.09627	4.2
161.13254	13.3
163.14726	1.1
169.10112	2.6
171.11679	22.2
171.13132	1.2
173.13246	4.6
175.14890	1.4
179.14339	1.0
180.71207	0.8
181.06265	0.7
181.10143	0.9
183.11693	2.2
185.13203	1.6
187.14867	1.8
189.12726	9.7
197.13316	1.1
199.14856	1.2
201.16422	0.7
207.13788	26.7
209.13269	1.3
225.14861	2.0
243.21054	0.9
261.22131	4.8
281.17456	1.1
317.24911	1.2
364.99063	0.7
379.32410	0.7
431.33191	1.1
447.91745	0.7
449.34180	3.0
467.35205	1.2
523.37762	1.5
541.38873	87.2
542.39331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34476	2.0
53.03941	3.3
55.01857	3.5
55.05516	12.8
57.07072	9.1
59.04990	4.6
67.05505	27.9
68.84028	2.1
69.03427	8.3
69.07066	35.0
70.16764	3.5
70.17179	8.2
71.04963	2.7
71.71255	1.9
79.05486	16.5
81.07050	78.9
83.04985	4.1
83.08614	11.0
85.02902	12.8
85.06540	100.0
90.55394	2.0
91.05477	10.3
93.03374	2.8
93.07043	37.7
95.04986	4.4
95.08603	55.3
97.02902	3.9
97.06541	8.8
97.10194	3.8
99.08088	14.5
105.07030	19.1
106.04180	6.5
107.08595	32.8
109.10150	46.1
111.08073	13.4
111.11717	6.4
113.09641	7.7
115.07558	2.6
117.07010	2.2
119.08560	17.0
121.06505	5.5
121.10149	29.1
123.11707	26.1
125.09596	11.2
131.08560	2.4
133.10120	14.2
135.11705	27.9
137.13264	8.9
139.11200	11.0
143.05649	8.4
143.10667	5.3
145.10100	5.8
147.11685	9.7
149.06032	6.0
149.13263	21.0
150.06395	4.4
153.12769	7.8
157.12207	12.0
159.11710	8.1
161.13266	10.2
163.14812	12.5
165.12898	2.1
167.07057	3.1
167.88432	2.0
173.13264	3.7
175.14819	9.0
177.05466	6.5
177.16376	9.2
178.05872	3.5
181.08527	3.8
181.15913	2.8
189.16374	7.6
190.33627	2.3
191.17946	8.6
193.08615	3.7
193.15900	8.7
202.53520	2.1
203.17929	5.2
205.19466	2.9
205.53319	2.0
209.08081	16.4
209.19003	2.7
210.08464	8.7
211.09744	6.6
211.16902	27.2
215.18085	4.2
223.04349	3.1
229.17961	25.4
231.21097	3.0
259.24066	2.7
271.24152	4.1
277.25235	7.6
289.25238	17.1
295.26324	24.2
307.26263	33.6
313.27350	27.0
325.27310	34.3
343.28464	51.4
469.25827	2.5
505.47250	2.2
541.26019	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	541.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54226	0.8
53.03939	3.6
55.01879	9.3
55.05511	23.3
57.03423	3.6
57.07084	1.4
59.04988	1.3
65.03934	3.2
67.05504	40.8
69.03423	3.2
69.07063	20.5
71.04988	3.3
79.05492	42.3
81.03416	35.3
81.06581	1.8
81.07056	36.5
83.04974	5.7
83.08615	15.1
85.02901	1.8
85.06559	1.0
91.05480	34.0
93.07037	27.1
95.01332	1.7
95.04969	20.2
95.08604	19.3
97.02927	1.2
97.06534	8.2
97.10168	11.9
98.20702	1.7
99.08076	0.9
103.05441	1.0
105.04496	1.1
105.07026	29.1
105.73048	0.8
107.04955	9.5
107.08597	20.6
109.06514	5.9
109.10158	10.1
111.04309	0.9
111.08095	4.6
115.05492	2.9
117.07014	13.8
119.04927	1.2
119.08581	22.8
121.06504	5.8
121.10139	10.0
123.04492	1.0
123.08068	3.8
123.11721	2.3
125.09620	10.3
126.56460	0.9
128.06221	4.3
129.07001	11.9
130.07785	1.6
131.08568	17.1
132.94601	1.0
133.06512	3.2
133.10133	15.2
135.08058	5.8
135.11697	4.2
137.05997	1.5
137.09630	2.6
140.93312	1.0
141.06944	4.6
142.07788	2.8
143.08551	11.9
144.09315	1.2
145.06488	6.9
145.10117	14.7
145.11165	1.6
147.08028	6.5
147.11671	10.6
149.09613	8.7
149.13248	1.4
153.07045	1.4
153.09062	1.5
154.07741	1.4
155.08557	8.2
157.06512	2.3
157.10133	10.9
158.07280	1.4
159.08055	5.3
159.11670	9.1
161.09573	2.0
161.13286	3.7
163.11240	5.4
165.06914	1.3
167.08607	2.8
168.09367	1.3
169.10133	8.5
171.08066	2.9
171.11671	8.5
173.09647	4.8
173.11832	2.0
173.13312	3.8
175.11255	3.5
177.12817	2.4
179.08588	1.1
179.14352	3.2
181.10129	4.2
183.07999	1.6
183.11681	6.8
185.09676	3.5
185.13235	5.4
187.11176	2.3
189.11195	5.4
193.10353	2.1
193.12222	15.3
195.08101	1.4
195.11746	4.2
197.09720	1.9
197.13303	5.0
199.11201	3.5
199.14899	1.7
201.12790	1.4
203.14252	1.3
205.12218	1.3
207.11703	3.4
209.13335	3.3
211.11261	2.0
211.14812	1.8
213.12834	1.7
213.16624	1.0
215.14279	1.2
217.15883	1.1
219.11739	1.3
221.13280	1.0
223.14964	1.6
225.12721	2.1
227.12788	1.4
229.19562	0.9
229.70348	1.0
231.13867	1.1
234.19612	1.0
235.14888	1.3
239.17862	1.6
241.16023	1.5
249.14926	2.1
257.19012	5.2
260.76227	1.0
267.16010	2.6
275.20065	25.8
276.20483	1.0
281.19122	1.4
293.21277	2.1
295.20618	1.6
297.18802	1.3
297.22217	3.5
299.20032	5.4
313.21536	1.7
315.19577	2.0
315.23129	1.8
317.21033	1.1
325.21664	1.7
327.19577	1.1
329.21283	1.5
337.21597	1.8
339.23227	1.3
355.22733	2.9
373.23813	1.3
379.23035	1.3
413.28601	1.0
431.29498	4.6
439.32471	1.2
441.93512	0.9
449.30447	12.8
467.31570	9.9
485.32706	3.4
523.34174	8.8
541.35284	100.0
542.35632	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	540.9878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21487	0.6
53.41584	0.5
56.96564	6.9
60.68518	0.7
69.98858	1.9
69.99260	1.1
71.95241	1.3
81.25495	0.6
98.97583	43.3
116.98622	53.0
134.99657	48.3
140.00131	0.8
152.99649	0.9
153.00719	9.8
158.01268	1.7
172.94336	1.1
179.76472	0.6
190.95410	4.2
208.96449	2.5
210.99887	0.7
214.95393	1.0
232.96506	7.9
239.69043	0.6
240.12102	0.6
240.98724	0.7
241.94160	0.9
248.94405	0.7
250.97487	8.0
256.96387	13.9
258.99814	7.5
274.97519	100.0
275.97925	2.3
276.97824	1.4
277.00815	16.8
278.00989	0.9
279.00610	0.7
290.95490	0.9
292.98566	96.3
294.98776	0.9
297.99213	3.0
298.97772	1.5
301.00934	1.5
310.99521	0.8
314.95654	0.9
316.00266	2.5
316.98767	5.0
317.99011	1.5
318.98920	0.7
332.96567	1.5
398.97610	15.5
401.01041	3.6
416.98700	55.9
417.98849	1.1
432.96881	1.5
433.96640	0.7
434.99854	16.0
440.00323	4.0
456.96625	1.5
458.01813	1.0
459.00275	1.9
474.97632	0.9
493.46121	0.7
498.99313	0.8
538.33014	0.8
540.98877	13.4
558.98181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05503	0.6
57.03432	0.6
57.32985	0.4
58.98922	0.5
67.05498	0.7
69.03422	1.3
69.07058	0.6
70.06587	1.3
70.50082	1.9
79.05490	1.1
81.03418	0.7
81.07060	1.6
85.02905	1.2
85.06562	0.5
86.09693	0.7
87.06725	3.1
91.05484	3.3
93.07037	4.8
95.04980	2.3
95.08619	0.7
105.07056	2.1
107.08585	1.3
109.06491	1.1
109.10133	0.9
117.06981	0.6
119.04948	0.5
119.08583	0.7
120.08109	0.6
121.06493	1.5
121.10139	0.7
124.90982	0.4
129.07039	0.7
129.10272	0.5
130.07840	0.5
131.08551	1.1
133.10155	0.9
136.07578	1.1
141.07071	0.4
143.05643	100.0
145.10121	3.4
147.11707	0.6
159.08066	5.8
164.07091	0.9
167.07062	0.5
172.08849	0.8
173.09593	0.8
173.13272	1.6
175.03900	0.7
175.11185	0.6
177.05486	0.7
177.12660	1.0
201.12753	5.6
207.06682	0.7
219.13762	0.8
271.06058	2.1
275.16376	0.6
277.17743	1.0
280.11658	0.5
289.05219	1.9
293.17300	0.6
305.11218	0.5
328.13638	0.6
339.13266	0.9
340.13666	1.6
363.17999	2.2
367.12793	0.7
368.13239	1.8
386.14313	0.6
455.22302	0.6
479.21118	0.8
497.23386	1.7
505.22867	1.8
509.21182	1.9
523.24255	2.0
541.21600	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	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	1.1
66.04733	0.9
69.03423	2.9
70.06593	1.4
70.57845	3.4
74.11323	0.9
78.45834	0.9
79.05487	1.2
81.03415	1.1
81.07061	1.1
85.02925	7.0
85.06556	1.2
89.78761	0.9
91.05476	9.7
93.07056	2.2
94.04196	1.1
95.04964	2.7
97.02898	2.2
98.64268	1.1
103.05454	1.9
105.07020	1.4
107.04972	1.6
109.06477	1.5
111.04395	1.2
119.04958	4.7
119.08619	1.0
121.06530	2.4
122.03650	2.3
123.04484	1.2
128.06261	1.4
129.07025	5.5
131.04988	2.2
131.08586	3.5
135.07976	1.2
136.05161	1.3
137.05984	34.4
138.05475	1.0
139.03949	1.2
141.07013	1.7
143.05652	4.0
145.06480	2.1
147.04401	1.5
148.05154	1.0
149.05989	6.6
151.03937	1.2
151.07552	47.9
152.07080	1.8
157.06482	6.4
158.07300	1.7
159.08051	1.9
161.05983	5.1
161.09583	1.6
163.07556	12.8
165.06999	1.9
165.09148	1.3
167.07176	1.5
167.08566	3.1
169.06575	1.3
174.06758	6.4
175.07544	3.8
177.05508	2.2
177.09100	1.9
186.06799	1.1
189.09102	25.7
193.06516	1.6
193.10158	1.6
195.08084	9.9
201.09142	2.9
207.06503	1.0
207.10223	3.2
209.09750	1.3
210.06781	2.4
211.16769	1.3
219.10161	31.2
221.06012	3.7
221.09634	3.4
223.07498	5.1
224.08302	1.8
225.09018	3.4
227.10664	13.9
231.89445	0.9
237.09087	1.4
238.06026	1.1
240.07735	1.7
249.09167	3.1
253.08603	6.4
253.12207	5.5
255.10179	13.6
267.10199	2.3
269.08112	1.6
272.10373	1.4
281.11765	3.9
284.10333	1.7
285.11237	10.4
287.05814	1.3
287.12799	34.9
301.14200	1.4
313.11615	0.7
313.14340	33.5
331.15424	100.0
332.15793	1.3
343.15530	1.5
400.60117	1.0
533.42224	1.1
559.23920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
61.02891	0.4
64.97623	0.3
65.03931	0.4
67.05466	1.0
67.08792	0.3
67.44268	0.3
69.03397	1.2
69.07027	1.6
69.46476	1.0
69.46896	2.0
74.14094	0.4
79.05470	0.6
81.03391	0.7
81.07028	1.0
84.04487	0.6
85.02891	0.9
86.09697	0.6
91.05483	1.9
93.07043	0.6
94.06553	0.8
95.08578	0.5
97.02834	0.5
98.21512	0.3
101.41891	0.4
104.34648	0.3
104.60658	0.3
105.07012	0.8
106.07277	0.4
107.04925	0.4
107.08557	0.4
109.02869	0.6
116.98571	0.5
119.04937	0.5
119.08540	0.5
120.04426	0.5
120.08083	0.5
121.10117	0.4
121.40545	0.4
122.05993	0.7
124.07561	0.4
131.04944	0.4
137.05936	1.0
139.29529	0.4
140.07011	1.6
143.05658	1.9
146.05974	0.8
147.04364	0.9
149.87646	0.4
150.05531	3.0
152.07069	2.0
154.08621	0.9
156.10184	1.3
162.05476	0.6
166.08635	0.5
167.07066	0.9
168.06564	1.1
172.03918	1.0
175.03859	0.4
176.10660	0.9
177.03937	0.4
177.05418	0.9
190.05109	0.5
192.06485	0.5
194.08115	1.5
196.09763	0.4
202.08562	0.7
207.06473	0.3
208.09740	0.6
209.10617	0.8
211.12427	0.5
212.09610	0.3
220.18568	0.4
221.10718	0.5
222.07903	0.4
222.11389	0.7
223.08682	0.5
223.12227	2.2
224.09357	1.0
224.13036	0.5
225.10289	3.5
226.11032	0.5
233.10765	0.8
234.09294	0.5
234.11609	0.4
235.08646	2.9
235.12161	0.4
236.09396	3.5
237.10249	8.8
238.11061	2.2
239.11763	1.1
240.12488	1.1
241.13373	0.7
243.11275	0.6
248.09294	1.0
249.10255	9.6
250.11003	5.1
251.08107	1.2
251.11807	13.1
252.08862	1.1
252.12541	2.5
253.09715	17.3
253.13466	1.2
254.10321	1.1
255.11127	0.5
261.10220	1.3
262.10934	0.7
263.08118	0.8
263.11792	2.7
264.08908	0.7
264.12457	0.6
265.09723	20.6
266.10495	2.6
266.13254	0.4
267.11301	7.2
267.14545	0.5
268.11987	0.4
268.77502	0.4
269.12881	0.6
277.09717	4.5
278.06644	1.4
278.10489	7.8
279.07700	4.9
279.11267	20.0
280.08820	0.6
280.12057	5.4
281.09286	1.0
281.12863	1.7
282.10062	0.6
283.10773	1.3
287.05453	2.6
288.05692	0.4
289.09641	1.1
290.10626	0.6
291.11292	1.3
293.09186	7.6
293.12845	6.4
294.09921	3.1
294.13199	0.7
295.10779	4.8
295.14429	3.5
296.11502	1.3
297.12347	5.9
299.13806	0.9
306.09882	1.3
307.10779	2.8
308.11670	1.7
309.08774	0.7
309.12286	6.9
310.09482	0.5
311.10254	3.6
311.13950	3.0
311.99173	0.3
312.11029	13.7
312.14670	0.8
313.11725	0.7
317.09604	0.4
321.12238	1.2
322.13089	0.6
323.10394	0.8
323.13931	1.7
324.11121	3.5
325.11847	13.3
326.12506	1.2
327.13391	64.6
328.13849	1.2
334.09735	0.8
335.10175	5.4
336.10953	1.7
337.11884	4.7
339.13394	100.0
340.14032	4.3
341.14899	0.7
341.75912	0.4
349.11752	0.7
352.10562	1.4
353.11307	11.8
354.11896	0.9
356.08627	0.5
357.14331	0.5
367.12897	89.5
368.13556	8.4
369.14337	1.5
384.13245	0.9
385.13940	7.4
399.15543	13.3
400.16025	0.4
408.18414	0.4
467.20816	0.8
476.18140	3.1
480.21472	2.1
508.20804	93.1
509.21329	2.8
526.22052	2.9
540.23370	8.8
540.31006	0.6
541.23444	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10228	0.6
52.55965	0.6
59.63860	0.5
66.91738	0.5
69.03407	0.8
69.07034	1.3
70.06564	1.3
70.49987	1.2
72.08100	0.6
79.05455	0.5
81.03345	0.6
81.07003	1.1
85.02871	0.7
86.09676	0.9
91.05460	1.7
94.06521	0.9
95.04932	1.0
97.02820	0.6
105.06967	0.9
109.06499	0.6
115.96738	0.6
116.98504	0.5
119.04903	0.6
122.05979	1.2
129.06961	0.6
131.04828	0.7
137.05907	2.4
138.05402	0.7
140.07018	1.9
143.05679	3.2
146.05966	0.6
151.07474	1.5
152.07008	2.3
154.08636	0.7
156.10193	1.0
161.05942	0.6
163.07451	2.4
164.06929	0.7
167.07011	1.0
172.03918	0.7
176.10646	0.9
177.07855	0.5
177.09125	5.0
181.87953	0.5
190.04958	1.0
192.06421	0.7
194.08133	1.8
196.09660	0.6
208.09683	0.9
209.10774	1.2
222.11490	0.5
223.12294	1.7
224.09241	0.7
225.10210	2.8
235.08638	1.9
236.09454	2.6
237.10214	7.7
238.10892	2.2
239.11722	1.1
248.09087	0.9
249.10220	7.7
250.10944	5.2
251.08084	1.4
251.11765	11.7
252.12576	2.2
253.07057	0.9
253.09706	16.5
261.10083	1.2
262.11096	0.8
263.08072	0.7
263.11758	2.4
265.09695	16.4
266.10458	1.3
267.11282	6.7
268.11914	0.7
277.09668	3.3
278.07132	1.0
278.10471	6.7
279.07727	3.2
279.11252	16.3
280.12021	4.4
281.12811	1.5
283.10779	1.3
287.12659	0.8
289.09601	0.9
293.09155	5.7
293.12799	4.7
294.09882	3.3
294.13202	1.1
295.10767	4.7
295.14386	3.5
296.11472	1.3
297.12302	5.1
298.13260	0.6
299.13849	0.7
304.22980	0.7
306.10010	1.6
307.10742	2.4
308.11517	1.8
309.08929	1.0
309.12317	5.1
311.10233	3.5
311.13885	2.9
312.11066	13.8
312.99353	0.6
313.14447	0.9
321.12375	0.7
323.13806	1.9
324.10999	2.6
325.11801	11.2
326.12415	1.4
327.13379	61.4
328.13943	1.4
331.15497	3.4
334.04858	0.8
335.10254	4.6
336.10919	1.5
337.11899	4.2
339.13373	84.9
340.14084	2.8
341.15118	0.8
349.11584	1.0
352.10541	2.4
353.11206	9.3
354.11990	1.0
367.12863	84.2
368.13568	7.6
369.14478	0.8
384.13113	1.0
385.13824	7.2
399.15521	12.2
400.16034	0.7
460.56396	0.6
476.18079	2.7
480.21313	2.6
508.20776	100.0
509.21170	2.4
526.21942	3.1
540.23560	10.2
540.31256	0.9
541.23010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42509	0.7
69.07040	1.4
70.06593	1.7
71.07387	1.5
74.92638	0.8
82.12469	0.8
86.09753	0.9
91.05488	1.5
95.04984	1.0
119.08658	0.9
120.04453	1.0
122.06054	1.3
137.06001	2.2
140.07051	1.1
143.05656	5.1
146.06001	1.0
151.07492	0.9
152.07091	1.8
154.08510	0.9
163.07549	1.3
167.07094	1.0
168.10248	0.9
174.05554	0.9
176.10683	0.9
177.09160	1.7
190.05067	1.1
194.08180	1.7
208.09862	1.1
209.10802	1.5
222.07623	1.1
223.12265	1.0
224.09480	0.9
225.10281	4.0
226.10922	1.1
235.08733	2.7
236.09494	2.6
237.10289	8.1
238.10992	1.5
239.11891	1.4
240.12601	1.0
249.10277	9.9
250.10954	4.8
251.08119	1.6
251.09093	1.3
251.11795	14.5
252.09636	0.9
252.12418	3.7
253.07117	1.4
253.09709	20.7
253.13582	1.5
261.10205	1.2
262.11151	1.2
263.08005	0.9
263.11862	1.2
264.08917	1.1
265.09723	19.7
265.12924	1.4
266.10577	1.2
267.11322	7.2
277.09744	2.7
278.07010	1.2
278.10541	6.9
279.07736	3.7
279.11319	18.1
279.14017	1.4
280.12015	4.6
281.09354	1.5
281.12756	1.9
283.10892	1.8
291.11346	1.1
293.09232	8.8
293.12878	5.8
294.10010	2.7
295.10831	5.2
295.14514	3.7
296.11368	1.4
297.12381	5.3
299.13922	1.2
306.10114	1.1
307.10678	2.1
308.11517	1.7
309.12360	6.0
311.10242	4.4
311.13931	2.9
312.11041	13.2
321.12338	0.9
323.13803	1.8
324.11105	2.8
325.11807	11.0
327.13394	64.0
331.15555	1.2
335.10153	6.6
336.11060	0.9
337.11777	4.1
339.13403	93.0
340.14023	3.6
352.10562	2.2
353.11307	11.0
367.12912	83.8
368.13623	8.6
385.13907	7.7
399.15588	12.1
476.18192	3.5
480.21533	1.6
508.20819	100.0
509.21024	2.5
526.21503	2.1
540.23505	7.2
540.30957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58879	0.7
61.02921	0.8
63.37153	0.7
67.05497	0.9
69.03400	1.5
69.07061	1.5
70.02789	3.6
70.06561	1.0
72.30489	0.6
73.02915	1.1
79.05479	1.1
81.03400	1.3
81.07063	1.3
85.02912	2.4
86.09658	0.6
91.05491	4.6
93.07072	2.0
94.06570	1.0
95.04966	1.5
95.08632	0.7
95.09238	0.7
96.94207	0.6
97.02905	1.7
105.07042	1.6
107.04958	6.8
107.08585	1.1
108.08142	1.1
110.07080	0.7
119.08604	0.7
120.04453	0.7
120.08096	0.8
121.10197	1.1
122.06045	2.2
123.04405	0.9
123.91072	0.6
127.03911	0.9
132.08060	0.8
136.07578	0.9
137.05980	1.7
140.07068	0.7
143.05644	4.2
146.06133	1.0
147.04434	1.3
147.11656	0.8
149.05919	0.8
152.07091	2.7
154.08646	2.2
156.10181	5.5
163.07562	0.7
166.08681	1.6
167.07034	16.8
168.10233	1.3
172.03925	1.5
177.05524	1.2
192.10103	0.9
193.08755	0.9
194.08199	2.4
196.09721	1.0
204.06610	1.0
207.06586	1.1
208.09773	1.4
209.10742	1.4
210.11539	0.9
211.09639	1.9
222.11473	0.8
223.12251	1.8
224.09409	0.9
225.10213	12.9
226.11043	1.0
234.11635	0.9
234.54790	0.7
235.08661	3.7
236.09360	4.0
237.10211	11.4
238.10947	3.7
239.11742	1.6
240.12527	5.8
249.10242	7.2
250.11046	3.8
251.08081	1.7
251.11790	19.8
252.08926	1.0
252.12511	2.5
253.09749	11.9
253.13370	2.1
261.10275	1.0
263.08145	0.7
263.11826	2.5
265.09729	17.9
266.10522	3.0
267.11371	5.2
277.09811	3.0
278.10526	4.9
279.07773	3.9
279.11258	25.1
279.14380	1.6
280.09186	1.0
280.11893	5.2
281.09891	1.1
281.12622	3.8
283.10828	1.9
284.11649	1.1
285.12210	0.9
289.09665	0.8
291.11163	0.7
293.09241	9.3
293.12894	6.4
294.09973	3.4
295.10806	3.3
295.14270	1.7
296.11282	1.5
297.12335	11.6
297.15695	0.9
299.13885	10.0
303.39569	0.8
306.10019	1.1
307.10843	5.1
308.11432	2.3
309.12241	5.1
311.10339	4.0
311.14023	3.2
312.11136	10.2
312.14667	1.9
313.11847	1.0
313.15414	0.9
321.12399	1.0
323.14148	1.0
324.10989	2.7
325.11816	27.1
326.12503	1.5
327.13382	36.7
328.13879	0.9
335.10144	3.5
337.11725	1.4
339.13397	48.6
340.14108	7.4
341.15286	1.0
352.10681	1.1
353.11285	8.2
357.14560	2.5
367.12863	16.4
368.13620	6.3
369.14490	1.7
384.13141	1.6
385.13934	56.8
399.15555	31.2
400.16003	7.4
419.14426	1.1
476.18521	0.9
496.18896	1.2
508.20886	14.7
540.23456	100.0
541.23553	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
68.90972	0.5
69.03415	1.1
69.07067	1.2
70.06587	0.9
71.60574	0.5
71.60956	0.6
81.03427	0.7
81.07052	1.3
82.07390	0.5
85.02920	0.6
85.06545	1.1
86.76410	0.4
91.05509	1.6
93.07055	1.0
94.06580	0.8
95.04978	0.9
95.08601	0.7
96.08866	0.4
105.07011	0.9
107.04964	0.7
107.08575	0.5
110.06064	0.6
111.08076	0.6
115.82366	0.5
119.04952	1.0
120.04465	0.8
120.09035	0.5
121.10206	0.6
122.06053	0.8
128.07127	0.7
136.07591	0.9
137.05954	1.0
138.05505	0.6
138.09166	0.7
140.07050	0.9
143.05695	2.7
145.02869	0.7
146.05998	0.7
147.04388	0.8
149.06076	0.6
151.04095	0.6
152.07076	3.1
154.08661	1.3
156.10188	4.8
161.05937	0.5
163.42395	0.5
164.07108	0.6
166.08661	1.1
167.07104	1.1
168.10193	1.2
172.03972	1.1
175.03949	1.3
177.05455	1.0
190.05022	0.7
194.08286	2.2
194.09683	0.5
196.09706	0.9
204.06595	0.5
207.06531	1.7
209.10864	1.2
210.09254	0.5
210.11470	0.9
219.10092	0.6
221.10719	0.7
222.11578	0.8
223.08847	0.7
223.12355	2.2
224.09395	1.2
224.13026	0.7
225.10229	12.1
226.10831	1.2
234.09244	0.7
234.11674	0.6
235.08604	2.9
236.09328	3.9
237.10236	9.7
238.10965	4.8
239.11803	1.9
240.12587	8.2
241.13214	0.7
248.09367	1.5
249.10254	8.0
250.10983	3.8
251.07994	1.1
251.11801	17.8
252.09048	1.4
252.12506	1.6
253.09731	10.7
253.13380	2.1
254.10535	0.6
262.08636	0.6
262.11081	0.9
263.11832	2.3
264.09888	0.6
265.09711	16.9
266.10501	1.9
267.11380	5.8
268.12076	0.7
269.12903	0.6
271.06186	0.7
271.83493	0.5
277.09723	2.7
278.10489	5.6
279.07761	4.8
279.11343	24.2
280.11905	4.1
281.09628	0.9
281.12903	4.1
283.10742	1.2
284.11542	1.1
285.12338	0.8
291.11288	0.9
293.09241	11.3
293.12881	5.7
294.10022	2.8
294.13260	0.7
295.10867	3.0
295.14468	2.0
296.11581	0.9
297.12305	10.6
299.13898	8.9
300.14545	0.7
301.15463	0.6
306.09940	1.0
307.10724	5.1
308.11646	0.8
309.12265	5.0
311.10303	4.7
311.13959	2.8
312.11093	8.8
312.14630	1.3
313.11807	0.7
322.13025	0.6
323.13943	1.8
324.10950	2.5
325.11823	25.5
326.12421	2.1
327.13403	33.8
328.14063	0.9
335.10248	3.1
336.10748	0.6
337.11945	1.2
339.13403	46.5
340.14120	7.7
341.14999	0.8
351.13525	0.5
352.10629	0.9
353.11325	6.6
357.14438	2.3
367.12891	16.3
368.13690	5.4
369.14410	2.0
379.30176	0.5
384.12811	1.0
385.13940	52.0
386.14459	0.6
399.15524	29.4
400.16293	5.5
452.18011	0.5
476.18307	0.5
480.20746	0.6
508.20905	13.3
540.23450	100.0
541.24158	2.6
564.21649	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08503	1.8
55.05511	17.3
57.03436	2.4
57.07074	51.4
61.20433	1.8
67.05503	64.0
69.07056	16.7
69.92739	3.6
69.93144	10.3
71.04992	61.8
71.08631	39.7
79.05492	17.6
80.16262	2.0
81.07056	83.4
83.04985	10.4
83.08620	20.1
83.21912	1.7
85.06531	6.0
85.10179	19.5
85.15262	1.9
89.06032	2.0
91.05478	32.9
93.07041	26.0
95.04974	3.6
95.08607	35.2
96.34294	1.7
97.06532	6.3
97.10149	8.8
99.08057	2.2
105.07018	18.7
106.43618	1.8
107.08610	10.2
109.06513	3.2
109.10161	24.4
111.11735	3.0
117.06998	3.9
121.10134	7.1
123.11702	23.3
130.58168	1.8
131.08575	6.8
133.10117	29.7
135.11700	4.7
137.13292	2.7
149.13239	11.6
151.11177	15.0
154.22752	1.9
159.11737	5.3
162.51111	1.7
169.12260	1.9
177.12793	4.8
183.13794	20.1
187.13264	3.2
195.13748	9.1
213.14928	3.0
227.16560	2.2
239.23640	12.4
269.17416	4.1
283.19089	3.8
285.16876	6.5
313.27029	2.4
327.28958	2.0
339.29001	3.6
341.26926	6.3
440.27478	1.9
446.60965	2.1
495.40479	34.3
507.39923	3.4
539.43085	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77404	0.5
52.36234	0.7
53.03934	1.9
55.01857	2.0
56.10555	0.6
65.03925	2.8
67.05507	1.0
70.06593	1.6
70.87360	1.1
70.87691	0.8
71.04996	0.7
75.04469	2.5
78.04701	2.2
79.05482	2.0
81.07061	1.2
84.04479	0.6
85.02908	2.9
85.06537	0.9
89.03921	1.3
89.06020	1.0
91.05477	12.3
93.03408	10.4
93.07043	5.4
95.04967	5.8
97.06528	2.0
99.73602	0.6
103.05476	4.3
105.06998	1.4
106.03466	1.3
106.04174	23.9
107.04942	2.2
107.08566	0.7
109.02831	0.8
109.06518	1.1
111.04439	1.3
117.03391	1.1
119.04934	1.7
121.06507	27.2
123.04439	1.0
123.08094	1.0
124.03916	0.8
125.06006	6.7
131.04907	1.4
134.03644	4.0
135.04410	0.7
137.05998	4.1
138.06743	1.0
139.07532	2.5
143.05658	1.8
145.02826	1.4
147.04355	1.2
148.05186	2.3
149.05986	34.5
151.07533	2.5
152.08333	1.4
153.05499	1.4
153.09096	9.5
154.08618	0.7
161.05946	1.2
163.07491	1.4
166.06287	1.5
167.07080	3.9
177.05475	19.6
179.01634	0.6
181.08598	19.2
191.06967	2.0
194.40741	0.6
209.08095	100.0
213.53581	0.6
215.08293	0.8
215.90521	0.7
219.10161	2.2
223.04247	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01868	2.6
55.05508	9.5
57.07071	9.4
59.05000	2.4
65.03928	2.1
67.05502	25.4
69.03423	4.6
69.07067	13.8
70.06556	2.0
71.04990	2.5
71.35094	2.9
76.11944	1.2
79.05487	9.2
81.03407	2.3
81.07052	37.2
83.04983	5.1
83.08613	3.4
85.02905	7.7
85.06538	100.0
87.04536	1.6
91.05500	10.3
93.07040	24.5
95.04951	4.5
95.08604	29.1
97.02882	2.3
97.06527	2.5
97.10161	2.0
99.04492	2.2
99.08102	5.1
101.02453	1.3
101.06030	1.6
105.07030	18.3
107.08583	19.2
108.08134	1.5
109.02856	1.6
109.06503	2.9
109.10155	22.4
111.08084	2.4
111.11729	3.2
113.09615	2.6
117.07000	1.6
119.04915	1.9
119.08573	15.8
121.06499	2.8
121.10147	16.3
123.08030	2.3
123.11726	8.7
125.09629	8.6
127.03886	1.5
127.11185	1.4
129.06995	1.3
131.08540	3.2
133.10083	15.0
134.57056	1.3
135.11688	19.1
137.05972	5.7
137.09581	4.0
137.13263	2.3
139.11163	4.2
143.05632	18.5
143.08557	1.7
145.10124	6.4
147.11716	10.2
149.13260	8.6
151.07571	1.7
151.11176	2.1
155.10672	3.4
157.10118	2.2
157.12224	5.3
159.11681	12.8
161.13248	3.9
163.03911	1.4
163.11171	1.4
163.14836	4.6
165.12749	2.6
167.07047	1.7
171.11687	1.5
173.13289	3.5
175.03819	2.3
175.14851	4.2
175.74010	1.3
177.16399	3.4
183.13770	2.0
185.13295	2.1
187.14804	6.9
189.16400	7.7
193.15918	3.3
195.13753	2.3
199.14796	2.3
201.16429	1.6
203.17891	3.1
207.06578	2.3
211.16975	7.8
213.16409	5.1
215.17967	1.6
226.73802	1.2
257.22589	1.7
269.22626	6.7
275.23697	3.9
287.05380	1.8
287.23679	7.4
293.24741	4.2
305.24695	13.4
323.25821	12.4
341.26767	10.5
359.27856	10.5
502.69318	1.3
539.20154	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	539.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38388	4.7
53.03939	6.2
55.01852	6.4
55.05511	32.2
57.03431	12.5
57.07076	40.8
67.05503	54.6
69.07060	29.0
71.04984	6.6
71.08630	16.3
71.61141	5.9
79.05496	42.8
81.07050	58.1
83.04992	8.5
83.08621	16.2
85.10172	15.2
85.14861	4.7
91.05481	32.6
93.07050	42.7
95.04966	11.3
95.08611	48.1
97.06531	5.8
97.10170	12.0
105.07031	30.7
107.04969	9.6
107.08608	35.4
109.10155	20.1
111.04380	4.7
117.07014	14.5
119.08580	22.1
121.06528	7.8
121.10152	10.5
128.31769	4.9
129.07002	15.3
131.08556	15.1
133.10117	10.6
135.11667	38.2
143.08568	15.6
145.10130	32.6
147.11676	12.9
149.13295	6.7
155.08562	14.9
157.10114	10.0
159.11685	8.0
163.11215	36.8
167.08675	6.9
169.10130	14.2
171.11681	12.2
181.10130	6.7
181.12210	10.3
183.11716	11.3
185.13272	9.2
191.10660	6.0
195.11679	8.3
197.13222	8.5
209.13264	9.5
213.16368	4.7
223.14841	7.7
227.12776	84.2
237.16592	5.8
247.14883	5.8
259.20642	5.3
283.15353	35.4
313.27353	68.8
339.23398	5.7
429.31061	6.0
447.32413	18.9
465.33588	8.0
521.38281	44.7
539.37494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
55.01818	0.2
67.05484	0.2
69.03448	1.1
69.03745	0.3
69.07044	0.2
70.26375	0.8
78.04709	0.5
79.05488	0.2
81.03400	0.3
85.02886	0.7
89.03912	0.5
91.05485	1.0
93.07065	0.3
95.04932	0.2
103.05471	0.8
105.03374	0.3
105.07020	0.4
106.04151	1.0
107.04962	0.4
109.02870	0.7
117.03383	1.3
119.04955	0.4
121.06490	0.4
121.48431	0.2
123.04442	0.2
123.08079	0.2
125.02314	1.2
127.04045	0.2
131.04924	1.0
132.05698	0.6
133.02856	0.7
134.03625	7.9
137.05991	0.3
143.05646	0.4
147.04379	0.8
148.05176	0.8
149.05962	1.7
151.03900	0.7
151.07471	0.2
153.01819	6.9
157.01320	0.2
160.05194	0.2
161.05949	0.3
163.03911	0.2
163.07671	0.3
165.05476	0.2
167.07050	0.8
170.03595	0.2
171.02893	2.3
174.06735	0.3
175.03882	0.3
177.05440	0.5
179.07022	0.8
180.07846	0.6
181.01263	0.2
184.05196	0.2
187.03934	0.5
191.07111	0.9
192.04152	0.4
192.07784	0.8
193.08595	0.3
195.04485	0.3
198.01651	0.3
199.03889	0.2
202.06221	0.6
209.08127	0.3
212.04698	0.2
213.05489	0.6
215.03369	0.9
223.03906	0.6
226.02676	0.2
229.04959	0.4
230.05736	4.4
240.04256	0.2
241.05034	1.0
243.02946	0.6
251.03317	0.3
255.06471	0.4
257.04565	1.2
258.05237	2.8
268.03696	0.2
269.04474	1.2
271.02377	0.3
273.07602	0.4
283.05948	0.2
284.06982	0.2
286.04712	17.2
287.05234	0.5
289.03546	0.3
297.03918	0.4
298.04550	0.2
301.07053	50.8
302.07324	1.0
303.04797	0.3
314.04187	2.7
315.08594	0.6
329.06531	100.0
330.06924	1.7
331.07938	0.3
355.40976	0.2
399.15881	0.3
489.11978	1.6
503.13165	0.3
509.14432	3.1
521.14471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.8
53.38035	1.9
55.01879	15.6
55.05513	18.6
56.96555	4.4
57.03440	20.5
57.07077	68.3
60.90404	1.7
61.02913	6.6
65.03891	1.6
67.05173	2.9
67.05508	36.3
69.03432	53.8
69.07066	18.6
71.04988	9.0
71.08235	2.9
71.08634	59.5
73.02509	2.4
73.02919	46.1
75.04472	2.9
75.52280	1.8
75.88957	1.7
79.05515	9.6
81.03422	39.1
81.07058	46.6
83.04974	8.9
83.08618	27.5
85.02905	34.5
85.06564	2.5
85.10185	29.9
91.05475	5.2
93.07040	7.8
95.04974	2.8
95.08607	61.8
97.02883	14.5
97.10177	14.8
99.04462	24.4
99.11745	3.4
103.03908	3.0
105.07010	4.2
107.08592	5.2
109.02886	67.4
109.10164	31.5
110.03693	12.2
110.31276	1.9
111.04448	61.9
111.11694	6.3
113.79313	1.9
117.07004	2.3
119.08600	3.0
121.10143	3.6
123.11719	14.2
125.09646	2.4
125.13272	4.9
127.03929	36.2
131.08530	3.7
132.99550	23.9
133.10030	2.0
135.11745	2.9
137.13235	9.0
139.14865	3.2
145.04970	2.8
145.10153	3.4
148.98996	2.7
149.04893	2.0
149.49371	1.9
151.00584	9.7
151.14856	2.9
165.16397	2.3
167.00058	3.0
169.10115	2.1
172.99065	5.3
183.06532	2.5
191.00084	35.3
197.01151	2.4
209.01161	15.0
209.11740	4.1
221.22716	3.7
225.79585	2.0
227.02020	1.8
227.12860	3.2
233.16650	2.2
239.23708	100.0
246.13051	1.9
253.07516	2.6
257.24835	8.7
265.03824	5.4
269.09830	1.8
271.08655	4.1
283.15439	2.2
298.27469	3.7
313.27408	50.3
355.28482	3.6
409.18930	5.4
515.51453	2.1
539.28845	64.9
539.38458	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	538.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81816	0.5
65.03939	2.3
67.05492	0.9
69.03431	10.2
71.27158	1.5
77.03927	0.8
79.05499	3.9
81.05785	1.8
83.04967	0.8
84.29752	0.6
85.02892	1.6
91.05482	15.5
92.04993	2.4
95.04958	2.0
96.08129	3.6
97.02920	1.6
103.26234	0.5
106.06556	20.9
107.04929	0.8
108.08108	3.7
109.02871	0.7
109.05230	0.9
110.06016	0.8
119.04946	26.8
123.06784	2.9
124.07598	12.8
124.08488	1.0
127.03910	4.9
131.04897	0.8
132.02078	0.8
134.06024	14.3
135.04404	0.7
136.07564	3.1
143.05672	1.3
144.05620	0.6
145.02838	1.0
147.04417	26.1
152.07065	33.7
157.03970	1.8
160.07520	0.7
161.05984	1.1
164.04778	0.8
167.07057	2.3
169.33336	0.6
170.08131	19.6
172.07710	0.6
175.03915	48.1
176.04303	0.7
177.05463	1.2
179.03435	0.6
179.06978	1.8
181.04950	0.7
186.05486	1.0
192.04300	0.9
204.06509	0.8
207.06534	100.0
208.06805	0.7
217.41988	0.6
219.06503	1.3
225.07581	2.0
231.06607	0.6
233.63806	0.6
263.09256	1.2
277.07526	0.6
291.08594	1.9
312.12350	1.0
312.67780	0.7
332.13324	1.7
340.12042	1.1
351.10767	8.9
358.12643	1.3
369.11829	14.1
502.16516	0.8
520.18195	12.4
538.19061	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
62.78262	0.2
67.05499	0.3
68.99799	0.2
69.03433	1.4
69.83199	1.1
72.08154	0.4
78.04733	0.4
78.64902	0.2
79.05518	0.2
81.03408	0.3
85.02911	0.8
85.28509	0.2
86.09718	0.4
89.03966	0.2
91.05483	1.0
93.07054	0.4
95.04980	0.5
95.08624	0.3
97.02913	0.2
98.21479	0.3
103.05460	0.6
105.07036	0.3
106.04176	0.9
107.04961	0.4
109.02895	0.7
115.05466	0.2
117.03400	0.5
119.04955	0.2
119.08636	0.3
121.06528	0.5
125.02350	1.2
129.06935	0.2
131.04929	1.2
131.08562	0.2
132.05711	0.8
133.02887	0.6
134.03630	8.1
135.08005	0.2
137.06015	0.3
139.05510	0.2
143.11743	0.2
145.02922	0.2
147.04402	0.9
148.05190	0.5
149.05986	1.6
151.03896	0.8
153.01828	6.8
159.04362	0.2
160.05289	0.4
161.05969	0.3
163.03864	0.2
163.07680	0.2
165.05486	0.2
167.07091	0.6
169.06351	0.2
171.02905	2.6
171.04295	0.3
174.06882	0.2
175.03935	0.5
177.05469	0.7
179.06987	0.4
180.00436	0.3
180.07805	0.3
181.01395	0.2
181.02878	0.2
184.05193	0.3
185.06029	0.3
187.03909	0.4
191.07079	0.8
192.04181	0.3
192.07857	0.6
195.04346	0.3
198.01588	0.4
198.91859	0.2
201.05421	0.3
202.06259	0.5
212.04745	0.4
213.05508	0.5
215.03409	0.9
215.10715	0.3
223.03903	0.5
229.05016	0.6
230.05737	5.5
230.07947	0.3
240.04207	0.3
241.05003	0.6
243.02803	0.3
243.06447	0.2
251.03291	0.4
255.06374	0.2
257.04431	1.5
258.05231	2.1
268.03696	0.3
269.04453	0.7
271.02386	0.4
273.07516	0.4
283.05954	0.5
286.04721	18.1
287.05328	0.6
289.03427	0.5
297.04065	0.3
301.07062	59.4
302.07394	0.8
314.04251	1.5
315.08585	0.7
327.08566	0.2
329.06540	100.0
330.06845	1.6
331.08200	0.4
428.08575	0.3
472.94980	0.2
489.11749	1.5
489.93375	0.2
503.13300	0.4
509.14465	2.0
521.14447	0.4
539.31683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.7
53.19970	5.7
55.05516	28.3
55.05719	5.5
57.03422	19.5
57.07069	60.0
58.91277	5.6
61.84362	5.6
67.05185	5.1
67.05506	76.3
69.07047	22.7
69.41287	28.3
69.41714	21.7
70.05328	6.4
71.08634	38.6
74.21046	6.4
79.05493	90.8
80.24272	6.0
81.03414	6.9
81.07051	59.7
83.04980	18.8
83.08599	16.1
84.28328	5.0
85.10178	25.9
91.05460	57.6
93.07040	66.2
95.04959	34.3
95.05479	5.1
95.08591	42.5
97.10184	8.6
100.02075	6.0
105.07024	46.2
107.04945	8.3
107.08578	22.7
108.24259	5.3
109.06496	8.4
109.10143	14.6
117.07018	7.7
119.08596	19.9
123.08035	6.7
123.11716	6.3
129.06969	13.5
133.10127	8.8
143.08603	7.7
145.10072	11.8
147.11687	46.9
161.13263	17.6
171.11658	25.2
189.12704	14.4
207.13823	31.7
260.57471	6.7
281.17532	63.0
313.27390	79.1
519.40417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75029	0.6
53.03939	0.9
55.01862	1.3
55.05499	1.9
57.03433	1.2
61.02927	0.8
67.01884	0.6
67.05501	2.6
69.03432	5.2
69.07061	3.1
70.06580	1.6
71.04979	2.3
71.59995	1.2
72.08139	1.6
73.02907	1.5
79.05496	2.5
79.28841	0.6
80.05020	0.6
81.03403	2.7
81.07052	5.7
83.04973	6.3
84.08137	1.2
85.02911	5.4
85.06565	1.6
86.09672	1.3
87.00813	0.8
87.04444	0.7
89.03918	1.3
91.03960	0.7
91.05477	5.4
93.07034	4.9
95.01324	0.8
95.04951	3.8
95.08604	2.6
97.02888	2.8
97.06532	6.5
99.04450	2.6
99.08077	1.0
105.07032	8.3
107.04922	1.5
107.08593	5.0
108.04475	0.7
109.02880	2.7
109.06519	3.6
109.10148	1.2
111.04443	1.0
111.07996	0.6
113.05992	0.8
117.03368	2.8
117.07010	2.6
119.04916	2.4
119.08563	3.8
120.05318	0.9
121.02872	1.1
121.06525	4.0
121.10187	3.5
123.00762	1.0
123.04412	1.2
123.08102	0.7
125.05990	8.9
127.03922	3.6
127.07538	2.4
129.07004	1.0
131.04922	1.1
131.08549	3.9
133.02893	0.7
133.06468	1.7
133.10114	1.9
135.04417	2.7
135.08040	0.8
135.11711	1.6
137.02312	0.9
137.05977	6.4
139.07561	1.1
140.07062	1.0
141.01834	2.5
141.09085	0.7
143.05644	4.9
143.06984	6.9
143.08572	1.4
143.10670	0.8
144.04063	1.5
144.05927	1.2
145.02863	5.1
145.04961	2.2
145.10123	12.8
146.03233	2.1
147.04430	1.8
147.07999	1.0
147.11664	2.1
149.05965	1.2
149.09627	2.0
151.07512	3.2
153.01814	4.0
154.02171	1.4
157.10083	0.8
159.08044	1.2
159.10323	1.1
159.11681	5.4
161.09587	0.7
161.13283	0.9
163.11176	5.8
167.07007	1.6
169.10167	1.4
171.02844	1.1
173.09607	8.0
175.03856	0.9
175.07556	1.3
177.00363	0.7
177.05479	10.8
177.12752	2.6
178.05836	5.0
185.11726	0.8
187.11180	10.2
187.14771	0.7
189.08990	0.7
189.12720	1.1
191.10629	5.7
197.09625	1.1
205.12215	8.9
207.06500	2.1
209.11699	2.4
215.10680	9.2
223.13257	0.8
233.11711	9.6
235.16890	2.1
251.12808	8.2
269.04248	0.7
269.13840	2.1
270.04919	0.8
271.05963	1.8
287.05496	64.1
288.05829	100.0
289.06036	3.1
299.06122	0.8
307.15472	1.7
325.16440	11.2
343.17477	6.6
432.19220	2.2
450.11005	1.9
504.17361	0.8
536.11322	1.5
536.19019	1.2
536.26550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63945	0.7
55.05505	1.8
57.03422	1.4
58.25129	0.7
63.98613	0.6
67.05509	4.3
67.05818	0.7
69.03432	1.6
69.07061	1.6
70.27205	1.8
70.27599	1.3
71.04986	0.8
79.05486	3.1
81.03412	2.5
81.07049	3.8
83.04959	1.0
83.08624	1.7
84.08132	0.8
85.02901	2.8
89.03903	0.7
91.04233	0.8
91.05492	5.0
93.07045	3.0
95.04943	2.1
95.08613	1.9
105.07021	2.8
106.11227	0.7
107.04940	0.9
107.08604	2.7
109.06544	1.2
109.10160	2.8
117.03410	1.3
119.04944	0.8
119.08616	1.7
121.10150	1.6
127.03881	1.2
129.06940	0.7
131.08603	1.3
133.10144	1.8
135.04433	1.8
135.07994	1.0
135.11647	1.0
137.05974	1.7
141.75137	0.7
143.05637	2.7
145.02835	2.9
145.06496	0.9
147.11671	1.2
149.09685	1.1
153.01830	2.6
157.10149	1.6
175.03920	0.8
177.05484	6.4
207.06648	0.9
211.13358	0.8
229.14403	0.7
251.12599	8.8
287.05521	73.1
288.05896	5.1
290.17334	0.9
291.17844	1.0
307.15210	8.1
413.51233	0.7
443.26144	0.8
517.30219	0.7
535.28790	100.0
536.29211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01864	3.0
55.05506	1.5
57.03431	7.2
61.02924	1.5
61.20245	0.6
65.03923	0.9
65.45322	0.6
67.01846	0.6
67.04239	1.3
67.05509	4.4
68.04996	0.7
69.03431	10.0
69.07042	2.1
70.71226	1.4
70.71545	0.6
71.01337	2.5
71.05001	1.0
73.02916	6.1
75.04469	0.7
75.56509	0.6
79.05488	4.2
80.05013	7.0
81.03397	2.1
81.07054	9.3
83.01296	0.7
83.04954	1.4
85.02905	10.1
87.00822	1.3
87.04459	0.7
87.06683	0.7
89.03899	2.6
91.05472	6.4
92.04955	1.1
93.07068	3.8
94.06570	2.4
95.01321	2.0
95.04946	2.1
95.08598	4.5
97.02903	4.1
97.06525	2.4
99.04449	1.3
103.05446	1.7
105.07028	7.4
106.06541	1.9
107.08613	5.3
108.04475	22.6
108.05634	1.1
109.02882	2.7
109.06504	1.5
109.10152	1.3
111.04416	1.8
113.02337	0.9
113.05967	0.8
115.03923	1.5
115.05437	0.8
117.03387	8.1
117.06998	2.1
118.06513	1.0
119.04932	2.1
119.08583	71.3
120.04440	3.2
120.08128	3.5
121.06497	3.8
121.10152	1.9
122.06033	6.2
123.04414	1.7
123.08067	10.6
123.11697	2.6
124.41727	0.6
127.03931	4.0
129.07030	0.9
130.06535	1.2
131.03381	0.9
131.04912	1.1
131.08586	0.9
132.08069	2.4
133.04962	1.2
133.06477	1.4
133.10123	1.3
134.06032	4.9
135.04427	3.0
135.08049	18.7
137.02368	0.8
137.05946	4.7
137.09583	1.5
141.01814	2.4
143.05637	13.5
144.08075	0.9
145.02840	18.0
145.06494	1.3
145.10112	1.5
146.06058	1.0
146.09680	0.9
147.04459	3.1
147.08052	3.8
147.11705	8.6
148.03917	5.8
148.07573	15.0
149.06021	3.8
149.09758	0.7
150.05499	3.0
150.09097	0.8
153.01833	4.0
157.10181	1.4
158.05998	1.4
159.11653	0.8
160.07570	11.8
161.05969	2.1
161.09573	0.9
161.13309	0.7
162.05495	11.2
162.06737	0.9
162.09166	1.8
163.03949	1.1
163.07530	2.4
164.07037	0.7
165.05460	0.9
165.09117	5.1
165.12762	4.0
166.05016	1.7
167.06993	2.9
171.11707	2.0
172.07568	1.4
173.05992	1.5
174.09122	2.1
175.03923	1.7
175.07553	0.7
175.11131	1.1
176.03485	1.2
176.07074	29.3
177.05466	33.3
177.12732	0.7
178.08643	19.1
179.03323	0.8
179.06999	1.2
184.07655	0.8
186.05515	1.6
187.11229	0.9
188.06976	3.3
190.04977	6.7
190.08594	5.1
191.07076	0.8
191.10654	1.4
193.05017	1.5
193.12280	0.9
194.04597	0.6
201.05566	1.5
201.09145	0.7
202.08662	3.3
204.06627	0.9
205.12247	1.6
207.06622	1.1
209.08058	2.0
214.08678	2.0
217.12216	2.4
218.08078	4.4
220.09706	7.2
222.07487	0.9
229.14346	2.9
242.08159	1.0
251.12697	4.5
262.10944	0.8
265.08563	0.9
267.15927	7.1
271.05978	0.8
278.15652	0.7
283.09509	0.9
285.16980	4.7
287.05505	91.6
288.05850	4.6
292.11914	0.7
319.11685	1.2
320.16830	0.8
322.14359	1.4
324.15967	9.8
325.10733	1.0
339.10922	1.1
340.15271	0.9
341.19492	1.8
355.11951	1.6
358.16605	1.2
359.06635	0.7
359.20602	2.9
364.15790	0.7
366.17291	0.9
368.14963	6.6
382.16577	1.8
386.15973	100.0
387.16330	1.3
398.16028	13.8
400.17551	5.3
403.18628	12.1
410.15814	1.8
420.17633	0.7
428.17056	29.9
445.19647	7.0
452.16821	1.0
463.18896	0.8
464.16998	5.4
482.18250	2.4
500.19131	16.0
518.20190	21.1
535.11023	1.8
535.23157	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	535.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.9
53.02525	0.7
53.03928	2.5
55.01862	3.1
55.05480	1.0
57.03442	4.1
61.02909	3.3
63.02377	0.8
67.05489	1.6
68.99786	4.5
69.03432	14.2
69.07059	1.4
71.01330	0.8
71.04973	1.6
71.59892	0.9
72.41624	0.7
73.02914	2.2
79.05482	2.8
81.03026	0.9
81.03419	8.3
81.07038	2.7
83.01360	0.8
83.04970	1.2
85.02905	18.9
87.00838	9.3
88.87151	0.8
89.03919	6.5
91.03931	1.1
91.05475	5.6
93.07033	2.1
95.04939	1.3
95.08575	1.6
97.02908	6.2
97.06531	0.9
99.04443	3.6
103.03958	4.5
103.05494	1.4
105.01864	4.0
105.03400	1.4
105.07036	2.2
107.04933	3.3
107.08549	1.0
109.02875	8.2
110.98891	0.7
111.04464	0.9
115.05467	1.9
117.03378	17.6
117.07018	1.7
119.04924	4.8
119.08586	2.2
121.06505	2.3
121.10146	0.9
122.03662	1.1
123.04436	1.2
124.44644	0.8
127.03915	12.8
129.01801	4.3
131.04927	3.0
131.08533	1.1
131.30775	0.7
133.02844	3.6
133.06502	1.3
133.10081	1.4
133.76886	0.7
134.03587	1.8
135.04424	6.0
137.02332	7.5
137.05968	11.3
138.03238	0.9
141.06984	0.9
143.04576	1.2
143.05661	30.0
145.02847	46.1
145.04935	3.4
145.06471	1.8
146.03146	0.9
147.02890	3.0
147.04395	7.4
147.07991	1.1
148.05150	1.3
149.05986	12.1
150.03101	6.2
151.03899	1.8
151.07547	2.3
153.01822	3.6
153.05486	2.4
155.04912	1.0
157.06439	1.1
157.10071	0.8
159.02899	3.6
159.04312	1.9
159.08064	0.9
161.02394	1.4
161.05975	4.8
162.03197	1.5
162.06793	1.5
163.03905	8.9
165.05516	9.4
167.07068	5.0
167.08348	1.1
169.06470	1.1
171.02870	2.6
171.04327	1.9
173.05971	1.4
175.03951	1.9
175.07562	1.9
177.05476	100.0
178.02692	1.1
178.06158	3.6
179.03400	1.3
179.07040	3.4
181.06497	1.2
186.05440	1.0
187.03900	3.9
187.07556	2.4
189.03937	3.5
189.05493	1.4
193.04979	16.3
195.08022	1.3
197.05969	2.7
198.06506	1.5
200.04645	0.8
201.05458	6.1
205.04938	3.0
207.06488	2.0
213.05521	1.7
215.06956	1.3
219.06429	1.1
223.07632	2.0
225.05476	2.5
226.05833	2.1
227.06903	1.6
229.04962	1.1
231.04866	1.3
231.06818	1.1
231.08832	0.9
234.06868	0.9
237.05438	1.1
241.08394	1.1
244.06960	0.9
250.06131	1.2
251.07083	3.6
253.04948	2.2
254.05588	3.7
255.06409	1.7
259.09610	1.4
263.07068	1.0
264.07849	0.9
265.08633	1.6
268.07178	1.1
269.07944	2.0
271.06039	19.2
272.06351	27.5
279.06482	2.7
283.09613	2.5
285.07486	3.0
286.08325	16.2
287.05472	90.5
287.08771	35.0
288.05746	2.0
293.08200	1.3
295.09473	0.9
296.06870	1.2
297.07593	1.6
297.11032	1.0
299.09259	4.3
301.10684	3.4
305.08130	1.2
307.09552	1.9
311.09171	15.8
323.09131	3.5
325.10712	4.9
329.10205	19.6
335.09283	1.4
337.10739	3.6
339.10715	3.6
341.10117	1.0
349.10748	1.7
353.10190	11.4
355.11667	2.8
377.05887	0.9
377.10324	5.0
395.11240	8.0
426.97192	0.8
449.10532	1.4
481.11148	0.9
487.16037	1.6
517.18018	1.2
535.12579	1.1
535.20325	1.9
555.27026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.8
61.02920	3.0
65.41711	2.0
69.03427	7.7
69.44903	17.8
70.44084	1.9
71.11847	1.7
79.05477	2.9
81.03432	4.6
85.02894	4.8
86.97655	1.9
87.06732	3.7
89.03914	3.4
91.05477	6.1
93.03397	2.5
93.07033	2.5
97.02895	6.6
105.07053	3.5
107.04955	7.3
109.02909	4.6
111.04477	3.5
117.03380	10.4
119.04933	16.7
121.02862	54.0
125.12724	1.9
127.03948	2.8
129.07062	2.3
131.04936	2.2
131.43944	1.9
133.02850	2.9
135.04390	2.9
137.05957	6.2
140.86913	2.1
143.05647	43.8
145.02863	27.3
147.04437	6.1
149.05992	5.7
159.04422	4.3
161.02252	2.1
161.05952	3.8
163.03902	3.8
167.07079	3.1
175.03920	3.7
177.01913	2.5
177.05464	36.3
179.03438	3.3
179.06964	3.5
187.03865	5.2
189.01852	8.4
191.03430	6.9
195.02888	11.2
199.03967	2.9
201.05489	8.3
203.03394	20.6
205.05035	5.2
207.02843	9.9
213.05502	2.2
215.03448	9.3
217.05017	10.1
219.02946	4.9
221.04500	8.5
227.03633	2.0
229.04985	2.4
231.02908	3.7
233.04391	5.1
235.05833	2.3
243.02896	4.7
245.04401	4.9
249.03850	2.5
253.05035	2.7
255.02885	2.7
257.04327	2.4
268.07318	3.7
273.03897	3.4
277.08636	2.1
279.06577	4.7
281.08182	4.6
283.06030	8.9
287.05658	6.8
289.08466	2.3
291.06610	2.5
292.07376	4.0
293.08136	8.2
294.05215	14.3
295.06009	63.9
295.09363	2.6
296.06769	3.9
297.07651	7.7
305.08182	6.2
306.08783	2.8
307.06030	47.3
307.09555	4.7
308.06696	18.2
309.03940	3.8
309.07550	24.3
313.06940	3.3
317.08157	6.5
319.06003	7.6
320.06793	9.4
321.07520	60.0
321.11169	3.7
322.08496	6.2
323.05679	3.1
323.09171	7.4
325.07053	53.6
325.10547	2.6
329.07977	5.9
333.07571	32.7
334.08261	7.9
335.05380	2.3
335.09012	21.8
336.06381	3.4
337.07047	44.3
337.10742	2.9
339.08630	6.1
345.07571	20.0
347.09143	11.4
349.07083	51.9
349.10889	2.7
350.07855	3.0
351.08594	27.8
355.08148	6.5
355.12411	2.3
359.09192	7.8
361.06989	32.2
361.11157	2.5
362.07831	2.3
363.08606	30.0
367.08096	10.7
371.09290	2.9
373.07123	20.0
375.08636	15.8
377.10324	3.5
379.08163	72.8
380.08282	2.2
381.09592	2.5
385.08963	3.5
387.08401	13.3
389.10184	5.4
391.08081	54.9
393.09290	5.0
397.09164	52.7
399.08414	6.0
403.08115	12.5
405.09836	9.9
409.09192	59.5
415.08176	12.0
417.09689	8.7
421.09143	7.2
427.10312	34.0
433.09122	41.5
445.09213	20.3
451.10272	52.1
451.16663	2.7
463.10229	37.5
469.11316	51.4
481.11316	100.0
499.12387	63.4
517.13208	15.1
535.13306	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	535.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72981	2.3
55.01865	11.6
55.05485	2.5
57.03431	3.5
61.02925	4.8
65.03923	4.1
67.05504	4.4
68.99796	3.6
69.03423	14.0
69.97729	12.9
70.06580	10.1
71.04997	4.4
72.08167	5.2
74.06050	2.4
79.05495	5.0
81.03401	7.4
83.04966	2.4
84.04520	2.3
84.08148	4.9
85.02908	10.6
86.09705	5.5
89.03930	8.6
91.05483	19.2
95.04973	6.0
97.02892	10.9
98.20794	3.6
98.97636	3.1
103.05431	6.9
105.06999	3.9
107.04963	10.5
109.02885	7.0
111.04438	6.6
117.03385	20.5
118.90916	2.4
119.04934	20.8
120.08112	6.5
121.02863	80.9
121.06491	5.0
123.04443	4.0
124.27768	2.9
127.03909	9.6
133.02837	3.4
133.06479	5.8
135.04405	8.7
137.05962	14.4
139.03888	4.4
143.05640	51.6
145.02847	65.8
147.04407	12.7
149.06013	14.1
151.03833	3.9
151.07573	3.1
153.01871	3.6
153.05368	3.0
159.04379	5.4
161.05934	4.8
163.03914	15.5
165.01782	4.9
167.07079	5.1
173.05978	3.8
175.03915	11.6
177.05461	98.0
179.03355	4.1
179.07034	7.6
181.04956	2.7
187.03958	4.7
189.01848	6.4
189.05542	3.6
191.03418	7.2
193.04971	7.9
195.02910	11.3
199.03883	4.0
201.05525	11.8
203.03398	22.5
205.04990	6.9
207.02937	12.7
207.06535	8.1
215.03481	12.7
217.04982	9.3
219.02921	5.0
221.04494	8.6
227.03400	3.6
229.04959	4.5
231.02881	8.3
233.04504	3.2
241.04907	5.2
243.02899	7.9
245.04515	5.6
249.03922	6.9
261.03928	5.0
267.11285	3.2
269.04517	4.1
271.06052	7.3
273.04041	2.8
277.08740	3.6
279.06699	3.3
280.07254	3.5
281.07809	2.6
283.06033	6.9
285.04260	4.1
287.05453	28.0
292.07315	7.2
293.08096	4.1
294.05212	13.6
295.06009	69.6
295.09430	5.0
295.10892	2.9
296.06714	6.2
297.04068	3.8
297.07574	9.7
299.05740	6.8
305.08038	5.4
307.05975	52.0
307.09271	3.7
308.06641	23.8
309.07477	22.8
313.07056	4.0
313.11713	3.1
317.08072	7.7
319.06058	8.1
320.06842	10.0
321.07526	55.5
322.08295	7.8
323.09128	8.1
325.07080	48.2
325.10825	9.4
329.08093	4.6
331.09689	3.2
333.07581	30.3
334.08325	9.6
335.09137	19.7
336.06403	6.2
337.06992	41.0
337.10544	4.9
345.07697	20.6
347.09106	9.8
349.07037	56.1
351.08563	20.5
355.07925	5.8
355.11963	4.8
359.09305	9.0
361.06992	28.5
361.10623	3.3
363.08594	28.5
367.08142	10.6
371.09055	3.1
373.06842	16.2
373.13654	3.2
375.08649	18.1
379.03275	4.0
379.08118	80.6
381.08548	5.5
387.08899	14.1
389.10257	5.2
391.03146	3.4
391.08118	63.7
393.09760	4.1
397.09158	49.4
399.08774	5.3
403.08047	12.5
405.09622	9.9
409.09152	61.3
415.08698	11.1
417.09702	8.3
421.09210	5.3
426.76123	2.8
427.10330	42.5
433.09262	33.5
445.09262	27.3
451.10275	42.9
463.10315	37.4
469.11301	60.0
481.11331	100.0
499.12311	76.2
517.12915	23.9
535.18805	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	535.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.2
57.50811	3.0
69.92107	14.3
83.55712	3.2
98.20712	3.6
119.04940	10.6
121.02882	41.4
126.62588	3.7
143.05653	10.8
145.02827	9.9
145.82338	3.4
177.05437	14.9
189.01854	5.3
191.03401	4.9
195.02834	7.4
203.03430	12.4
207.02892	10.7
215.03442	5.3
217.05002	6.7
219.02975	6.1
221.04417	5.2
233.04536	6.6
235.37015	4.0
241.05148	4.3
243.02881	4.1
268.07367	5.1
273.04037	3.9
273.33658	3.7
287.05606	12.1
292.07199	3.6
293.08011	7.7
294.05264	14.9
295.06015	66.6
295.09314	6.1
297.07507	6.5
307.05991	43.2
308.06766	15.5
309.07565	23.4
313.06866	4.5
317.07864	5.6
319.06116	6.8
320.06787	12.3
321.07602	50.2
322.08380	9.5
323.09204	10.3
325.07028	52.0
329.08218	4.3
333.07642	31.6
334.08298	6.0
335.09143	18.8
336.06195	6.6
336.82996	3.9
337.07047	43.6
339.08347	7.1
345.07547	22.0
347.09149	9.2
349.07053	46.7
351.08600	22.6
355.08459	5.2
359.09274	4.4
361.07062	26.3
363.08624	28.9
367.08170	9.3
373.07037	19.9
375.08627	15.6
379.08105	72.6
387.08542	7.4
389.10275	5.2
391.08118	58.4
397.09216	49.2
399.08606	6.7
403.08234	9.9
405.09586	9.8
409.09198	70.2
415.08258	10.5
417.09711	12.0
421.08844	7.4
427.10284	48.0
433.09244	29.4
445.10004	22.3
451.10129	37.6
463.10068	27.3
469.11295	63.1
481.11264	100.0
499.12244	67.1
517.13708	25.3
535.14441	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	535.1444
Annotation	LLP3
Peak:m/z	Relative Intensity
55.01872	10.1
55.62132	1.9
58.30761	2.3
61.02914	2.9
68.47010	2.3
69.80493	12.1
97.02921	3.4
98.20836	3.3
107.04967	3.4
117.03413	2.5
118.07372	2.1
119.04955	10.1
121.02866	46.0
137.66650	2.1
145.02856	10.0
159.04453	2.4
163.03911	3.1
169.03053	2.1
169.06671	2.9
171.04431	2.8
175.03976	2.8
177.01813	2.6
177.05431	3.8
179.03445	2.9
187.03929	4.0
189.01814	5.5
189.05429	3.1
190.02646	3.3
191.03429	9.8
191.99811	2.2
194.15620	2.1
195.02910	6.8
203.03389	20.8
205.04955	4.1
207.02953	7.1
213.05522	2.6
215.03427	9.4
217.05051	7.0
219.02936	5.6
221.04482	7.3
227.03490	3.7
231.02779	2.8
233.04523	5.3
241.04962	3.3
243.02934	5.1
245.04388	3.6
267.06622	2.7
269.04541	3.4
273.04056	3.1
279.06564	4.5
281.08081	5.3
283.06015	6.7
292.07211	3.5
293.08026	5.5
294.05261	13.4
295.06039	66.4
296.06717	6.4
297.07452	8.4
305.07950	4.5
306.08707	3.3
307.06033	48.8
307.09467	4.9
308.06766	16.0
309.07477	23.1
313.07001	5.2
317.08044	7.6
319.05963	6.9
319.09735	3.4
320.06793	13.8
321.07599	68.2
322.08246	6.6
323.05719	4.0
323.09238	7.9
325.07071	42.8
329.07990	4.1
331.09756	2.6
333.07565	31.3
334.08386	7.2
335.05545	4.8
335.09198	20.0
336.06104	4.7
337.07077	39.7
339.08652	4.1
345.07532	17.2
347.09052	10.8
349.07071	51.0
350.07849	3.6
351.08661	27.1
359.09146	5.7
361.06982	32.2
361.10843	2.6
362.07797	2.5
363.08530	32.6
367.08020	15.3
373.07135	19.9
375.08624	18.7
377.10321	3.4
379.08160	70.3
387.08569	14.8
389.10385	3.8
391.08136	57.9
393.09589	3.0
397.09164	42.1
399.08618	7.5
403.08243	16.1
405.09818	10.9
409.09213	53.7
409.14365	4.2
415.08954	15.5
417.09567	9.2
421.09192	5.5
427.10349	37.9
433.09244	33.9
445.09726	19.3
451.10239	39.5
463.10248	26.8
469.11319	74.0
481.11365	100.0
482.12247	2.7
499.12363	82.1
517.13263	24.0
519.82434	2.5
535.14392	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	535.1086
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
67.01543	0.0
67.01865	0.6
68.99777	0.4
69.03415	0.1
69.28488	0.4
69.28819	0.1
69.52743	0.0
79.05447	0.0
81.03394	0.1
85.02882	0.1
87.00836	0.0
89.03914	0.2
89.19371	0.0
97.02888	0.1
98.21527	0.1
107.04951	0.1
109.02854	0.1
111.00829	0.1
111.04413	0.1
117.03371	0.2
125.02334	0.1
127.03918	0.1
129.01808	0.1
135.04416	1.9
137.02345	0.6
143.05682	0.1
145.02812	0.1
147.04402	0.1
153.01823	5.2
161.02324	0.7
161.05992	0.0
171.02888	0.9
171.04317	0.1
177.05478	0.2
179.03387	0.3
185.06015	0.1
189.05458	0.1
201.05446	0.1
203.03424	0.1
213.05453	0.1
217.04979	0.1
219.06488	0.2
227.03395	0.0
231.06422	0.1
241.04901	0.7
245.04448	0.1
258.05133	0.1
259.05902	0.1
263.05539	0.2
269.04410	0.5
286.04630	0.1
287.05487	100.0
288.05817	0.9
449.10806	1.0
491.11356	0.1
517.10028	0.1
535.10846	1.8
535.19116	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.01839	6.7
55.05514	30.1
57.03419	15.5
57.07060	19.2
67.05504	88.0
69.07077	33.3
70.56369	11.3
70.56729	13.8
71.04989	6.3
72.64980	6.0
79.05501	54.4
81.03402	16.6
81.07059	100.0
83.04983	11.1
83.08608	26.0
86.94828	5.2
91.05473	43.8
93.07043	69.6
95.04956	13.6
95.08611	66.3
97.06558	10.1
97.10157	14.5
105.07025	48.5
107.08595	43.4
109.10164	37.9
109.61815	5.3
111.08109	7.0
117.07014	14.1
119.08575	41.6
121.10151	30.6
123.11717	10.5
125.09614	7.6
129.06987	10.7
131.08615	27.5
133.10086	30.9
135.11674	38.4
137.13252	9.8
143.08549	10.8
145.10143	23.5
147.11673	14.3
153.12704	7.8
157.10121	13.8
159.11696	15.2
161.13235	12.6
169.10156	5.5
173.13269	13.9
175.14818	10.2
181.12286	10.1
185.13263	7.9
187.14861	9.1
189.11159	9.2
193.12222	9.3
227.12836	9.3
229.14308	9.4
243.15910	7.0
255.15938	13.7
259.20428	6.6
261.22107	13.2
273.21997	8.7
287.23517	10.4
291.23306	6.8
335.25885	11.2
423.32526	22.3
441.33481	11.9
459.34561	12.3
515.37256	78.7
521.71722	6.3
533.39453	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	21.2
57.03436	12.9
57.07067	15.9
59.57249	5.2
61.02924	6.6
67.05509	86.4
69.07066	37.9
71.08636	8.2
71.60389	6.0
79.05506	33.7
81.07062	100.0
83.08620	25.1
85.02882	5.6
85.26749	5.9
86.09698	18.1
91.05484	20.7
93.07037	37.8
95.08611	85.8
97.06538	8.9
97.10152	16.4
99.04452	5.7
99.08101	7.2
104.10740	24.3
105.07029	16.0
107.08597	32.1
109.10149	52.9
110.06170	5.3
119.08592	12.7
121.10117	20.7
123.11694	20.8
131.08554	5.1
133.10124	19.4
135.11641	9.6
137.13222	10.4
147.11702	11.0
149.13297	9.2
151.14771	8.9
161.13289	15.4
163.14856	13.4
165.16382	8.1
175.14853	13.9
184.07355	25.6
231.21959	6.0
245.22661	62.2
263.23715	80.3
266.45544	5.1
287.05533	92.6
307.31772	5.9
337.27341	68.3
345.95200	5.5
367.59857	5.7
463.26477	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	533.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16225	3.5
53.03941	4.4
55.01864	4.9
55.05509	44.4
57.03434	11.6
57.07074	6.2
67.05508	78.3
69.07079	33.1
69.39593	17.2
69.40032	15.7
70.85439	3.3
71.04993	3.9
79.05499	55.9
79.40446	3.4
81.07059	75.0
83.04984	12.3
83.08631	19.8
85.06548	6.8
87.04491	4.5
91.05482	40.3
93.07053	64.6
95.04967	12.1
95.08605	45.3
96.45055	4.1
97.06539	14.4
97.10177	25.1
105.07024	30.8
107.04953	7.3
107.08583	48.1
109.06565	5.1
109.10192	24.3
109.16500	3.1
111.08070	6.7
111.64619	3.4
117.07027	18.1
119.08578	38.7
121.06540	4.6
121.10143	30.6
123.08087	3.9
123.11697	10.8
125.09633	22.2
129.07024	4.6
131.08575	20.0
133.10152	21.2
135.08072	6.2
135.11714	25.7
142.20248	3.2
143.08571	8.3
145.10118	24.4
147.11684	23.4
149.13272	8.3
153.12755	8.2
157.10133	9.2
159.11719	17.2
161.13251	4.2
163.11186	4.4
165.86086	3.2
171.11711	11.8
173.13271	9.4
175.14867	5.6
181.12251	10.0
183.11702	7.5
185.13217	10.2
187.14896	8.6
189.11229	17.2
213.00380	4.2
213.41499	3.4
227.12785	33.3
250.47423	3.5
255.15868	8.7
261.22159	6.6
273.18558	3.9
273.22180	6.9
275.20181	4.1
289.25238	8.1
291.23145	10.0
299.23804	4.0
303.23206	4.9
323.42682	3.9
335.25723	10.0
399.18103	10.5
405.31516	6.8
423.32721	16.0
441.33618	15.6
459.34769	13.5
473.21579	4.5
483.62112	3.6
497.36197	6.5
515.37421	100.0
533.39166	56.2
540.01880	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	533.3839
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
55.01868	4.0
55.05508	35.3
56.19446	2.8
57.03427	10.7
57.07080	5.9
67.05167	5.8
67.05503	77.9
67.37946	3.7
69.03405	5.0
69.07078	25.3
71.04985	4.2
71.60438	4.0
72.06130	3.7
79.05492	55.1
81.07058	72.5
83.04974	11.7
83.08627	17.9
83.54942	3.3
85.06528	7.3
91.05472	31.1
93.07038	65.9
95.04999	6.8
95.08602	54.1
97.06539	8.9
97.10157	20.2
99.55885	3.3
105.07024	36.6
107.08588	40.1
109.10139	28.4
111.08101	3.9
115.42999	3.5
115.78714	3.4
117.07016	11.4
119.08585	26.5
121.10124	27.4
123.11721	9.4
125.09595	17.7
129.07011	6.2
131.08580	25.1
133.10152	25.7
133.15193	3.4
135.11703	26.5
137.13240	4.1
143.08543	5.5
145.10109	20.5
147.11676	16.7
149.13243	12.4
151.14296	3.2
157.10162	8.2
159.11707	15.7
161.13303	7.5
163.14787	5.5
169.10165	5.5
171.11708	5.2
173.13260	9.6
175.14815	7.4
177.12766	4.0
181.12192	7.1
183.11726	4.5
185.13292	4.9
185.56497	3.4
187.14862	3.9
189.11177	16.3
195.00217	6.0
197.13142	5.5
203.16525	3.4
213.16406	3.6
227.12733	22.8
255.15898	9.5
255.64270	3.7
261.22049	5.6
273.22113	8.2
284.66858	3.7
289.21909	4.8
289.25214	8.9
291.19714	7.3
291.23157	4.3
335.25787	11.8
347.25824	5.4
370.88699	3.5
405.31482	5.4
423.27209	3.6
423.32590	15.6
429.51871	3.4
436.50900	3.8
438.99103	3.8
441.33405	11.4
459.34601	12.2
497.36176	7.1
515.37323	100.0
533.38531	47.6
555.63757	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	533.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01857	1.2
57.03416	0.9
59.06112	0.6
61.02937	0.7
67.05483	0.7
69.03428	3.5
69.07031	0.8
70.06584	2.4
70.96857	0.6
71.04984	1.5
71.07494	1.7
72.08147	1.2
74.06139	0.6
76.79085	0.6
78.04700	2.2
79.05493	8.5
81.03413	2.3
81.07059	2.1
83.04963	1.0
84.08116	1.3
85.02942	4.2
85.03345	0.9
85.06518	0.7
85.07674	1.0
85.83594	0.7
86.09729	1.2
89.03907	1.0
91.05470	3.5
93.07017	1.5
95.04970	3.2
95.08604	0.8
95.71042	0.7
97.02898	2.3
98.06026	0.7
103.05470	2.9
104.06233	0.7
105.07030	7.3
106.04181	1.4
106.79025	0.7
107.04960	13.4
107.08600	0.6
109.02864	2.3
115.05433	3.9
115.96861	0.6
117.03447	0.8
117.06998	2.0
118.04128	1.4
119.04940	1.8
119.08572	1.6
121.06495	1.6
123.04439	5.2
124.05226	3.6
125.06005	1.8
127.03915	2.7
128.06224	2.2
129.07005	5.9
131.04933	3.6
132.05698	1.8
133.06487	6.1
137.02321	1.2
137.05963	2.5
139.07581	0.8
141.06982	1.3
143.04749	1.0
143.05667	13.9
143.08652	0.8
144.05865	2.9
145.02831	3.1
145.05017	0.9
145.06409	3.4
147.04407	2.6
147.08023	2.5
149.05978	1.2
149.09651	1.1
151.03915	1.8
151.07539	0.8
152.04707	2.0
153.01903	0.7
153.05489	1.3
155.04933	0.8
157.06531	0.9
159.08055	4.9
160.05188	3.0
161.05971	11.8
161.09659	0.8
163.03908	1.9
163.07532	0.9
165.05556	0.7
165.06992	0.7
167.07040	100.0
168.07350	0.9
171.07964	0.9
172.05196	1.6
173.06006	0.9
175.04007	0.9
175.07547	23.5
176.04619	0.8
177.05452	6.4
178.07813	1.4
179.07019	1.4
179.08452	0.8
181.06386	0.8
184.05203	1.1
187.07538	21.8
189.06985	1.8
189.09055	1.7
190.07762	1.4
191.07019	9.9
191.08537	1.5
199.07523	8.2
201.05478	1.4
201.12379	0.8
202.07811	1.8
203.06906	1.1
203.08578	3.0
206.07202	1.6
207.06432	1.2
207.08183	0.8
209.08101	2.7
215.08636	1.7
217.06529	0.8
217.08517	1.6
218.07271	2.9
219.08023	3.0
220.08826	1.1
221.09654	2.8
231.08141	1.2
232.08836	1.6
233.09572	2.6
234.06624	1.6
235.07520	2.1
245.06218	0.9
245.09187	0.9
246.06898	1.0
247.07555	1.6
248.08150	1.0
249.09061	3.9
250.09827	1.3
251.06975	1.1
259.07608	0.7
260.08383	2.0
261.09094	6.1
262.09863	0.8
263.07047	2.2
265.08627	0.8
275.06943	1.0
276.07693	0.9
277.08615	2.8
278.09402	2.3
281.11722	7.3
285.07578	1.6
287.05490	2.3
289.08667	3.5
290.09207	0.9
291.06613	0.8
291.09894	1.6
293.11758	2.9
294.08737	1.1
295.10016	0.7
299.05557	2.1
306.09015	1.8
307.09558	1.8
309.11194	6.6
321.11258	9.2
322.11911	2.0
323.09161	0.8
325.14267	1.5
326.11313	1.5
341.09943	1.4
341.13855	21.0
343.12738	0.7
353.10291	1.4
353.13910	10.9
354.06100	1.3
371.11548	1.0
387.21329	0.8
389.07349	1.6
533.21753	2.9
550.56525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01862	0.5
57.03434	0.3
57.42149	0.3
61.02910	0.8
65.03924	0.5
67.05488	1.1
69.03439	1.6
69.07056	0.5
69.45171	1.6
69.45576	0.8
70.06587	0.3
74.06059	0.3
74.09708	0.3
74.43452	0.2
79.05492	0.5
81.03409	0.9
81.07050	0.5
83.04977	0.6
84.08167	0.3
85.02907	2.5
86.09698	0.3
87.00826	0.3
91.05473	1.1
93.07082	0.3
95.04946	0.3
95.08587	0.3
97.02908	1.3
103.05466	0.3
105.03420	0.4
105.07008	1.1
105.44781	0.3
107.04954	0.8
107.08604	0.5
109.02843	0.7
109.06505	0.5
117.06951	0.3
119.04944	0.7
121.02875	0.8
121.10139	0.4
123.04414	0.5
127.03926	0.9
129.06944	0.4
131.04913	0.5
133.10071	0.4
135.04433	0.4
135.11638	0.3
137.02345	1.1
137.05968	0.9
138.44702	0.3
141.01819	0.3
143.05640	0.9
145.02849	0.3
145.04982	0.5
145.06511	0.5
147.04413	0.6
149.02287	0.5
151.03925	0.9
152.05965	0.3
153.01846	0.5
155.04822	0.3
155.98651	0.3
161.02361	0.9
161.05916	0.6
162.06763	0.4
163.03912	1.2
163.07521	0.4
165.01819	0.8
167.03278	0.5
167.07109	1.8
169.06508	0.4
175.03905	0.7
175.07585	0.4
176.04758	0.3
177.01874	1.0
177.05505	0.9
179.03577	0.3
179.06946	0.3
183.02916	0.6
185.05984	0.3
187.03937	0.4
189.05440	0.3
190.02568	0.3
191.03468	0.5
191.07080	0.7
193.04922	0.3
197.06023	0.4
201.05501	1.1
203.03424	0.8
207.06572	0.8
208.03792	0.4
217.05042	0.4
219.06526	0.9
229.04936	0.6
233.09669	0.3
237.05382	0.6
239.07152	0.4
242.05774	0.8
243.06445	0.3
245.04558	0.4
247.07460	0.3
249.05556	0.3
251.07018	0.3
255.06560	1.1
257.04459	4.7
261.09158	0.9
265.04959	0.7
265.08514	0.3
267.06570	0.3
270.05331	2.1
271.06049	1.3
275.06744	0.3
279.06641	0.5
279.10022	0.4
283.05997	4.5
285.03964	1.2
285.07593	5.5
287.05426	1.0
289.03452	0.4
289.08588	0.4
292.07504	0.4
295.06003	1.2
297.07642	0.6
297.11139	0.4
299.05511	21.5
307.06503	0.4
307.09857	1.0
309.07410	0.7
311.05496	5.1
311.09186	1.5
313.07080	1.6
317.08167	0.4
320.06818	0.4
321.07681	0.4
321.11111	0.5
323.05548	2.7
323.09021	0.5
324.06207	3.3
325.07025	2.0
325.10776	0.8
335.09207	4.6
337.07080	1.9
338.07855	4.3
353.10202	100.0
354.10593	2.0
371.11188	2.0
379.08228	0.6
389.13284	0.4
473.15405	1.1
479.13406	0.4
515.15509	0.8
516.15503	0.7
533.18652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34351	0.3
56.96544	0.3
61.02906	0.6
67.05489	0.8
69.03416	1.3
70.06568	0.4
79.05489	0.6
81.03402	0.9
84.08102	0.4
85.02908	2.2
89.43755	0.3
91.05481	0.9
97.02865	0.7
105.07017	0.6
107.04956	0.9
109.02882	0.6
115.05359	0.3
121.02882	0.3
123.04449	0.5
127.03895	0.7
129.06989	0.4
133.02907	0.4
133.06465	0.4
135.04428	0.6
137.02338	1.1
151.03955	0.7
153.01825	1.0
161.02328	0.7
161.05949	0.8
165.01784	0.7
167.07059	4.9
169.06560	0.4
175.03877	0.4
175.07487	1.7
177.01862	0.7
177.05426	0.7
181.06493	0.5
183.02824	0.4
187.07521	0.9
189.05388	0.4
191.03497	0.5
191.06989	0.8
193.08600	0.9
199.07492	0.6
201.05394	0.8
202.00092	0.3
203.03346	0.4
205.10207	0.5
217.61699	0.3
218.07341	0.4
219.06529	1.0
233.09639	0.6
235.29036	0.3
237.05525	0.7
251.07036	0.4
255.06534	1.0
257.04291	2.1
261.09128	1.1
265.05063	0.8
271.05832	0.6
277.08282	0.3
279.10031	0.6
281.04349	0.3
283.06003	3.3
285.03726	0.4
287.05487	0.8
289.08832	0.7
292.07419	0.6
295.06042	0.9
297.07654	0.8
297.11044	0.4
298.25153	0.5
299.05502	22.7
303.05023	2.1
307.09583	1.0
309.07446	0.4
309.11084	0.5
310.04825	0.4
311.05469	5.1
311.09116	1.3
317.08231	0.5
321.07849	0.6
321.11279	1.0
323.05542	2.8
324.06253	2.8
325.07074	1.6
325.10724	0.9
335.09155	4.6
337.07227	1.8
338.07870	4.5
341.13864	1.1
353.10178	100.0
354.10519	1.2
371.11200	2.6
384.42865	0.3
389.05139	0.4
515.15454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1292
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.03936	0.3
54.76188	0.2
55.05498	0.4
65.03920	0.3
67.05492	0.8
68.99775	0.2
69.03432	1.0
69.07059	0.7
71.04974	0.2
71.60112	0.2
75.45306	0.3
79.05481	0.7
80.65672	0.2
81.03419	1.0
81.07056	1.1
85.02901	1.5
87.00816	0.5
91.05473	1.3
93.07056	0.5
95.04973	0.4
95.08601	0.7
97.02875	0.7
97.06536	0.2
99.04459	0.4
103.05460	0.4
105.01831	0.3
105.07025	0.8
107.04936	1.0
107.08588	0.3
109.02865	1.4
109.06527	0.2
109.10150	0.3
115.05485	0.2
116.98610	0.2
117.03388	0.5
117.07070	0.3
118.04179	1.0
119.04952	0.5
119.08615	0.5
121.02908	0.3
121.10143	0.4
122.06020	0.3
123.04428	2.5
123.08015	0.3
123.11706	0.3
123.96680	0.2
124.01569	0.8
127.03927	1.0
129.06963	0.4
130.04166	0.2
131.08560	0.4
133.06473	0.6
133.10114	0.3
135.04376	0.6
135.08051	0.3
135.11707	0.3
137.05939	0.8
139.11292	0.2
143.05678	0.2
145.02843	1.2
145.10120	0.3
147.04417	0.7
147.11713	0.3
149.02327	2.3
151.03870	0.4
152.01012	0.7
153.01811	1.8
156.13487	0.2
158.03632	0.4
159.02858	0.3
159.07996	0.2
161.05991	0.5
162.06772	0.5
163.03970	0.9
163.07495	0.3
163.88664	0.2
166.45915	0.3
167.07065	1.0
170.02116	4.0
175.03926	0.4
175.07486	0.5
177.05478	2.0
179.03331	0.5
187.07538	0.3
191.03383	0.2
192.07816	0.3
195.10071	0.3
197.05940	0.6
201.05466	0.4
207.06534	0.7
213.05498	1.3
214.06236	0.4
229.08568	3.7
229.10614	0.3
241.04990	0.6
242.05722	2.9
243.06230	0.3
252.04182	0.6
253.04956	2.9
257.04401	0.8
257.08087	0.4
269.04416	2.4
270.05206	5.2
284.06805	0.4
285.07568	100.0
286.07904	2.2
287.05518	5.2
288.05820	1.3
289.06076	0.3
315.04971	0.4
321.07437	0.2
327.08725	0.2
353.10153	0.4
371.11240	1.7
447.12723	0.3
532.38995	0.6
533.12708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1294
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
53.03942	0.5
55.01861	0.6
55.05505	0.6
57.03424	0.6
61.02919	0.4
65.03954	0.3
67.01845	0.4
67.05487	0.9
68.99797	0.4
69.03423	2.8
69.07046	0.4
69.55220	1.7
70.06590	0.5
71.04983	0.6
73.02917	0.4
79.05466	0.5
81.03413	2.1
81.07049	1.6
85.02515	0.3
85.02911	3.4
85.06495	0.2
87.00811	0.7
91.05476	2.1
93.07022	1.1
95.01340	0.2
95.04951	0.7
95.08604	0.6
97.02907	1.6
97.06526	0.3
99.04427	0.6
103.03938	0.3
103.05466	0.3
105.03410	0.3
105.06999	0.9
107.04935	0.8
107.08577	0.6
109.02887	1.9
109.06432	0.5
109.10136	0.6
117.03343	0.5
119.03436	0.3
119.04936	1.8
119.08539	0.5
121.02869	0.6
121.06506	0.3
121.10128	0.4
123.04429	8.5
123.11666	0.6
127.03917	2.3
129.01978	0.2
130.04108	0.2
131.04895	0.3
131.08507	0.3
133.06422	0.3
133.10150	0.5
134.03650	0.6
135.04401	0.3
135.08051	0.3
135.11763	0.4
137.05969	1.5
141.01768	0.5
141.06979	0.5
143.05643	0.8
145.02818	1.5
145.04948	0.6
145.06418	0.3
145.10107	0.5
147.04384	1.4
149.05956	0.5
151.03955	1.2
151.07520	0.4
153.01839	2.7
153.05423	0.9
153.06581	0.3
159.02921	0.3
161.05968	0.8
162.06743	0.7
163.03940	1.6
163.07541	0.3
165.05615	0.3
167.07021	1.7
169.06464	0.4
171.02872	0.9
173.05940	0.4
175.03889	0.8
175.07524	0.4
177.05489	2.3
181.04860	0.3
181.06398	0.4
183.04526	0.2
185.05994	0.4
186.06677	0.4
187.03886	0.3
189.34479	0.2
191.06969	0.4
191.10689	0.3
192.07794	0.4
196.05139	0.5
197.05957	1.5
201.05409	0.6
203.06946	0.3
207.06474	1.3
208.06946	0.4
210.06854	0.5
213.05518	0.3
214.06218	0.5
217.04977	0.4
221.05965	0.3
223.16924	0.4
225.05368	1.3
226.06192	0.3
229.08603	0.8
238.06233	0.9
239.07043	0.4
241.04942	0.4
242.05777	1.4
243.06403	0.6
253.04996	1.8
254.05774	0.6
255.06342	0.3
257.04498	1.0
266.05972	0.4
267.06500	0.6
269.04453	21.9
270.05225	32.8
271.06003	63.7
272.06326	1.0
283.06021	0.9
284.06689	0.6
285.07568	100.0
286.08060	3.0
299.05972	0.4
299.09183	1.3
303.04935	0.3
309.07455	0.6
321.07709	0.3
325.07025	0.9
327.08594	3.1
335.09009	0.3
339.21710	0.5
341.10245	0.4
353.10284	1.1
357.22565	0.7
371.11435	1.6
433.11047	0.3
447.12863	6.2
448.13092	0.3
489.14001	1.7
533.12805	19.4
546.16809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1287
Annotation	Malonylglycitin
Peak:m/z	Relative Intensity
50.96328	0.3
53.03915	0.4
55.01853	0.4
57.03422	0.4
61.02877	0.4
68.99764	0.4
69.03426	2.6
69.35126	0.3
73.02874	0.5
79.05473	0.5
81.03422	1.9
81.07011	0.5
85.02914	2.0
87.00786	0.8
90.99183	0.3
91.05465	0.8
93.06995	0.7
95.04958	0.5
97.02849	1.2
98.21600	0.7
99.04422	0.7
105.06992	0.4
106.04099	0.4
107.04938	0.6
107.08559	0.3
109.02885	1.5
109.94881	0.3
119.04916	0.5
119.05920	0.3
119.08588	0.4
123.04433	7.1
123.08072	0.3
127.03937	2.2
134.03577	1.0
137.05946	0.8
138.06856	0.3
143.05643	0.7
145.02840	0.5
147.04347	1.4
153.01749	0.3
153.05447	1.1
153.06697	0.4
161.05927	0.5
163.03883	1.0
163.07553	0.4
167.07030	0.8
169.06435	0.3
175.03888	0.4
177.05452	1.4
181.06561	0.4
185.05983	0.5
187.05919	0.5
189.09096	0.3
197.06033	1.7
201.05489	0.4
207.06511	0.6
210.06769	0.4
217.05069	0.4
224.04703	0.4
225.05438	1.8
229.08598	0.6
238.06253	0.8
239.07051	0.8
241.05205	0.4
242.05785	1.5
253.04959	2.3
254.05768	0.5
255.06445	0.5
266.05786	0.5
267.06512	0.9
269.04453	22.5
270.05231	34.5
271.05978	8.1
283.06021	0.9
284.06827	0.9
285.07565	100.0
286.08136	5.1
299.09122	1.3
303.08606	0.4
309.07391	0.4
321.07327	0.4
327.08624	3.1
341.10229	0.5
353.10104	0.5
371.11658	0.5
421.57840	0.3
447.12790	5.5
489.14172	1.9
533.12909	18.6
533.20044	0.8
534.13184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
53.52089	1.0
55.01873	1.7
55.05504	2.9
57.03435	8.7
57.27407	0.8
59.05014	1.2
61.02929	2.0
63.42478	0.9
65.03944	1.3
65.31380	0.9
67.05509	1.9
69.03442	6.2
69.07080	1.3
69.21547	0.8
69.54453	3.3
69.54887	4.2
70.06605	1.3
71.04998	63.4
72.08144	1.6
73.02921	3.5
75.04493	5.9
79.05493	5.2
81.03419	4.0
81.07063	2.3
83.04988	9.8
84.08154	1.1
85.02908	100.0
85.06546	8.0
86.09727	1.1
86.37856	0.9
87.04469	2.5
89.06061	1.2
91.05491	3.3
93.07046	2.7
95.04974	3.6
95.08636	2.7
97.02898	7.3
97.06508	1.2
98.20859	2.0
99.04460	2.3
103.03959	1.2
103.05509	1.1
105.03399	9.0
105.07052	2.3
107.04964	1.4
107.08615	1.8
109.02884	2.7
109.06548	3.3
109.10155	1.3
110.06084	1.1
111.04453	7.5
115.03967	1.3
119.04947	3.0
119.08572	1.1
120.05252	1.2
121.06491	1.4
123.04435	22.8
123.05332	1.1
123.08088	1.6
127.03923	8.9
129.05489	47.7
133.06490	1.5
135.04503	1.3
135.08125	2.3
137.05974	2.2
139.07524	1.4
143.05696	4.5
145.02914	1.4
145.04967	9.8
147.04530	2.1
147.06535	28.2
147.07787	1.6
149.09622	2.0
151.07552	2.4
163.06042	3.3
164.09241	3.7
165.07596	1.0
167.07111	1.7
167.10703	1.8
174.06903	1.0
175.03984	2.7
175.07608	1.0
175.89742	1.0
176.04337	1.5
177.05438	2.1
177.09088	1.9
189.09135	3.0
194.62331	0.9
195.10179	1.7
207.06541	5.7
208.06879	3.9
213.11238	6.0
255.08681	1.9
273.09708	1.3
285.23007	1.0
309.11700	2.0
319.10132	1.2
330.59979	0.9
355.29663	0.9
454.26590	1.1
532.18195	1.9
532.24994	2.5
532.32153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01874	8.3
55.05508	29.1
56.93104	2.0
57.03440	7.1
57.07067	5.1
64.92120	2.1
65.03934	5.0
67.05504	100.0
69.03433	3.2
69.07069	27.4
69.32865	22.2
71.04996	8.9
79.05494	63.5
81.03425	9.3
81.07058	84.9
83.04983	10.9
83.08620	9.8
85.06554	4.8
91.05484	63.4
92.05786	2.9
93.07043	70.3
95.04971	16.0
95.08607	45.8
97.06544	8.6
97.10180	9.0
99.04470	3.7
105.07033	64.3
107.08593	61.6
107.09295	4.1
109.06528	7.2
109.10157	62.7
111.08065	2.7
117.07014	15.7
119.08585	25.7
121.06563	2.5
121.10150	28.1
123.08094	4.0
123.10943	2.4
123.11678	11.9
125.09680	3.8
129.06976	5.8
131.08556	26.3
133.06499	2.5
133.09111	4.4
133.10129	82.6
135.11697	19.1
137.09660	3.9
143.08582	12.5
144.09294	2.1
145.10118	17.7
147.11723	12.4
149.02457	2.4
149.13297	8.1
151.11180	37.8
153.12810	3.2
155.08559	3.4
157.10193	7.1
159.11678	17.1
161.09618	2.7
161.13205	10.8
163.11256	2.9
163.14835	4.2
169.10086	5.6
169.12286	9.8
171.11751	8.2
173.13217	12.7
175.14867	4.2
183.11627	5.1
185.13301	4.2
187.14891	5.1
195.11792	3.1
197.13217	4.3
199.14914	4.3
211.14790	2.8
215.12746	5.0
215.18053	2.3
227.12813	3.0
239.18054	2.7
241.19543	3.2
243.21201	4.3
253.14359	81.9
255.16119	5.1
256.26218	3.5
259.20648	9.2
261.22079	16.6
271.15451	3.0
285.22192	2.2
411.32770	3.9
421.31180	7.3
429.33234	2.2
439.32196	11.9
457.32980	10.6
503.37555	7.5
513.35724	39.6
531.37067	72.2
531.81824	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	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69563	2.0
53.03945	5.9
55.01876	6.1
55.05513	29.3
57.03437	6.9
57.07082	5.8
65.03941	4.8
67.05506	100.0
69.07075	21.7
70.95158	4.9
71.05000	7.8
78.96133	1.9
78.97114	2.0
79.05496	60.2
81.03432	7.6
81.07058	84.5
83.04993	9.8
83.08630	13.2
85.06554	5.8
91.05484	63.8
93.07044	67.3
93.96913	2.3
95.04978	12.8
95.08611	41.7
97.06555	7.9
97.10170	6.7
99.08106	2.5
105.04521	2.0
105.07032	60.5
107.04973	3.3
107.08595	63.1
109.06542	8.2
109.10162	73.4
111.08092	3.5
113.06011	4.3
117.07024	13.6
119.08596	25.9
121.10150	23.5
123.08105	2.3
123.11706	14.9
125.05981	2.4
125.09636	2.7
127.07568	4.1
129.07057	6.9
131.08569	22.9
133.10136	80.3
135.11699	21.2
142.07787	2.8
143.08611	7.9
145.10132	17.7
147.11703	11.4
149.02359	5.3
149.09732	2.4
149.13306	6.4
151.11180	39.7
151.12341	2.7
155.08572	5.0
157.10173	8.5
159.11676	15.1
161.09602	2.6
161.13303	7.6
163.11201	2.6
169.10245	3.7
169.12274	8.8
171.11755	7.6
173.13312	9.4
179.10829	2.2
183.11642	4.7
185.13316	4.0
187.14850	3.1
193.05077	2.4
195.11755	3.4
199.14886	2.6
201.16444	2.4
211.14838	2.3
215.12732	3.5
227.12785	2.4
243.21121	5.4
249.16669	2.6
253.14360	98.6
254.14580	2.9
255.15909	4.1
256.26370	5.4
257.17346	2.1
259.20691	5.1
261.22089	21.7
267.15970	2.9
275.20062	3.1
287.23746	2.9
317.24741	2.8
369.59006	2.3
403.29684	3.0
411.32968	3.4
421.31073	7.4
439.32239	9.7
457.33347	10.3
503.37421	7.2
513.28912	1.7
513.35779	41.7
531.37128	76.7
532.38086	3.1
555.35748	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3682
Annotation	CHEBI:66780
Peak:m/z	Relative Intensity
55.01862	4.9
55.05510	40.9
57.03427	12.0
57.07088	5.8
65.03948	4.8
67.05502	86.0
68.92987	2.9
69.03439	5.5
69.07071	34.2
69.42284	28.8
71.05003	3.5
79.05496	63.2
81.03438	16.6
81.07056	76.9
83.04990	10.5
83.08620	20.1
85.06553	7.6
91.05489	63.5
93.07043	68.8
95.04964	15.6
95.08609	54.9
95.27767	2.8
97.06515	8.3
97.10162	12.0
105.06387	5.7
105.07040	58.0
107.08593	48.7
109.06517	6.6
109.10168	27.2
111.08074	6.0
117.07016	25.6
119.08588	42.7
121.06526	3.1
121.10148	25.8
123.08047	4.9
123.11738	5.7
125.09619	8.2
128.06262	4.5
129.06998	21.5
131.08571	37.3
133.10143	46.4
135.11694	27.2
135.36763	2.8
137.09627	4.5
141.07054	6.7
142.07788	6.9
143.08562	29.3
144.09254	4.2
145.06537	3.3
145.10118	50.0
147.08031	4.8
147.11687	34.3
147.31987	3.3
149.09625	4.1
149.13269	9.1
151.11200	4.1
155.08612	11.2
157.10153	30.0
159.11708	32.4
161.09737	4.6
161.13272	17.1
163.11142	7.7
169.10109	15.5
171.11708	23.4
173.13304	23.5
175.11206	7.7
175.14832	9.4
181.10117	5.4
181.12233	3.5
183.11707	13.3
185.13277	19.1
187.14825	12.7
189.12769	4.7
193.12276	8.2
195.11731	5.0
197.11710	4.1
197.13289	11.8
199.14899	9.9
209.13387	4.5
211.14851	6.8
213.16357	6.4
223.14796	5.5
225.16383	3.9
227.12778	4.1
239.18050	5.8
241.19572	12.9
243.21315	3.5
253.14294	8.3
255.15871	17.1
259.20557	27.2
273.18494	3.5
285.22122	6.1
287.23883	6.0
297.22235	4.4
327.23257	4.2
333.24100	10.8
393.31671	4.6
403.29971	5.5
409.30728	7.2
411.32504	10.6
421.31119	24.9
429.33899	4.3
439.32059	26.1
457.32944	18.8
485.36288	13.6
487.34378	4.1
495.34674	8.5
501.35736	4.8
503.37234	31.4
513.35736	100.0
531.36646	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2931
Annotation	Asn Ile Glu Arg
Peak:m/z	Relative Intensity
55.05500	1.2
55.34340	0.4
56.73488	0.4
56.96581	0.5
67.05503	3.1
69.07066	0.9
79.05485	1.7
81.03384	0.4
81.07037	1.7
82.98823	0.4
91.05474	1.5
93.07043	1.7
95.04941	0.9
95.08605	1.6
97.10148	0.8
98.20766	1.3
105.07030	1.1
107.08611	1.0
107.39829	0.5
109.06516	0.7
109.10143	1.0
116.60519	0.5
117.06979	0.6
119.08585	0.7
121.10178	0.8
131.08565	0.8
133.10167	0.7
145.10138	0.5
159.11665	0.6
187.03667	2.4
210.06848	0.5
227.12721	0.5
293.19666	0.8
311.20810	0.6
329.21808	1.3
367.24561	23.5
513.35638	1.1
531.29291	100.0
532.29504	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
56.05022	0.1
56.96564	0.2
60.04501	0.2
65.03934	0.3
66.70517	0.1
68.48093	0.1
69.03423	1.3
69.85365	0.8
70.06589	1.1
72.08146	0.4
79.05470	0.2
81.03425	0.3
81.07062	0.2
84.04479	0.2
84.08135	0.4
85.02905	1.1
86.09695	0.5
87.06687	0.3
89.03922	0.3
91.05478	4.4
93.07029	0.4
95.04951	0.2
97.02870	0.5
98.97570	0.2
105.07069	0.2
107.04911	0.2
108.04478	0.2
109.02880	0.3
110.07150	0.3
111.04469	0.2
117.05761	1.4
118.06544	9.0
119.04948	3.6
121.02855	0.4
121.06575	0.2
122.06055	0.2
123.04417	0.3
127.03924	0.6
129.10210	0.2
132.46082	0.2
133.06499	0.2
133.07584	0.4
135.04373	0.2
136.07605	0.4
137.05933	0.5
143.05638	6.5
145.07605	100.0
146.08029	0.5
147.03242	0.2
147.04411	3.3
149.05942	0.2
157.03918	0.2
162.09129	0.9
163.03925	0.3
163.07312	0.3
163.08615	4.4
167.06996	0.2
175.03905	5.8
177.03247	0.2
177.05513	0.4
179.07053	0.3
180.10191	0.6
181.10471	0.4
207.06520	10.0
208.09662	2.0
209.10072	1.4
210.44611	0.2
219.48065	0.2
227.08580	0.2
230.09978	0.2
245.09192	0.2
263.10486	0.1
291.09686	0.5
292.10159	0.4
293.08212	0.2
295.10532	0.2
311.09137	0.2
323.12555	0.9
324.12677	1.2
339.08499	0.2
351.10715	0.4
369.11533	0.8
377.13367	0.2
467.58032	0.2
481.17953	0.2
499.18994	1.2
513.20239	0.3
531.20050	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	531.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
60.05631	0.1
65.03928	0.6
67.05497	0.3
69.03432	0.2
71.34680	0.3
73.04025	0.2
80.73796	0.1
81.03405	0.5
83.02430	0.2
83.04971	1.0
83.05410	0.2
85.02879	0.1
87.06718	3.6
93.03429	0.6
95.05004	0.2
97.02878	0.2
101.85930	0.1
107.04972	0.2
109.02845	0.1
111.04446	1.4
113.04597	0.4
121.02837	1.0
127.03909	0.3
135.04367	0.2
139.03891	0.2
141.04094	0.7
142.04866	0.3
143.05643	100.0
144.06012	0.3
154.69215	0.1
163.03918	0.3
169.07228	0.4
171.92108	0.2
176.56172	0.1
185.06702	0.4
191.03326	0.2
209.04460	0.2
243.66937	0.1
244.29791	0.1
443.13748	0.2
513.14746	0.2
531.15717	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	531.1865
Annotation	Icariside I
Peak:m/z	Relative Intensity
51.98315	0.2
55.05523	0.2
57.03435	0.3
65.03977	0.2
67.05511	0.5
67.16065	0.2
69.03425	0.5
69.07066	0.3
71.60592	0.2
71.60975	0.2
79.05462	0.4
81.03434	0.5
81.07069	0.4
85.02912	0.4
86.58566	0.1
87.51615	0.1
91.05509	0.7
93.07064	0.4
95.04976	0.3
95.08615	0.3
97.02895	0.2
97.06527	0.2
105.07043	0.3
106.04205	0.3
107.08651	0.2
109.10182	0.2
117.07014	0.2
119.04926	0.3
119.08613	0.2
121.06485	0.3
121.10137	0.2
127.03977	0.3
133.10097	0.2
134.03648	0.7
134.91217	0.2
137.78717	0.2
143.05713	0.2
147.04387	0.2
151.03915	0.2
165.01825	0.2
167.07071	0.3
171.11700	0.2
175.03914	0.5
177.05492	0.3
183.02965	0.3
207.06558	0.9
213.05496	0.3
214.06325	0.3
224.04663	0.2
241.05034	1.3
242.05789	0.7
246.51852	0.2
253.04924	0.2
269.04504	0.4
270.05249	2.5
270.07993	0.3
287.05521	0.2
297.03970	0.4
298.04742	32.1
299.05167	0.3
313.07065	100.0
314.07449	0.9
352.72720	0.2
369.13364	26.9
370.13654	0.2
531.18164	0.3
531.34937	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01869	5.7
55.05509	20.0
57.03434	12.9
63.13010	2.0
67.05501	25.0
69.03427	5.6
69.07060	8.2
69.46713	17.1
71.05000	4.1
71.71829	2.0
79.05496	29.7
81.03419	70.7
81.07063	35.2
83.04980	20.5
83.08624	26.3
85.02906	35.6
85.06545	3.4
91.05487	47.1
93.07043	27.2
93.10223	1.5
95.04966	33.2
95.08589	14.2
95.09131	2.2
97.02901	5.0
97.06564	4.6
97.10174	3.7
105.07029	29.6
107.04963	10.3
107.08617	9.5
108.53680	1.8
109.06515	5.6
109.10166	3.0
111.04430	3.6
111.08070	12.5
113.06018	2.3
115.05409	1.9
117.07030	4.2
119.08581	22.0
121.10113	15.4
123.08111	2.1
123.11702	3.3
125.09657	2.5
129.06972	14.5
131.08543	14.2
133.06520	3.3
133.10109	17.5
142.07794	4.4
145.10106	3.1
147.08125	2.8
147.11682	19.8
149.09637	7.1
157.10143	19.2
165.12778	3.9
165.81015	1.8
175.11189	16.3
193.10461	3.0
193.12247	62.3
211.13301	100.0
267.15869	24.6
285.16983	85.9
285.20200	4.0
372.23889	1.9
385.23474	2.2
459.27585	8.7
477.28754	12.7
495.29596	29.1
502.18127	1.8
530.35876	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.6
55.01857	7.5
55.05509	35.4
57.03431	20.0
57.07072	3.6
58.84616	2.3
59.04993	2.6
65.03937	2.9
67.05504	100.0
69.03432	3.6
69.07067	21.9
69.70998	1.8
71.04991	9.9
73.02898	6.6
75.69991	1.8
79.05058	3.6
79.05494	47.5
81.03422	15.0
81.07056	86.0
83.04973	8.8
83.08612	25.8
85.02896	10.0
85.06525	6.1
87.04436	5.8
91.05477	33.3
93.07039	53.7
94.07365	3.2
95.04940	11.9
95.08600	26.1
97.02883	3.9
97.06519	10.6
97.10188	9.8
99.04420	2.4
105.07021	19.0
107.04926	4.5
107.08591	34.1
109.06518	3.5
109.10149	35.0
110.26097	1.9
111.08076	8.1
116.04685	2.8
117.07005	13.1
119.08597	11.0
121.10151	11.4
123.11687	5.7
125.09621	15.1
129.05467	6.2
129.07030	2.4
131.08565	12.6
133.10107	19.1
133.21741	1.8
135.08096	2.8
135.11678	14.7
135.23000	1.9
137.09712	1.9
145.10129	7.0
147.11696	3.2
149.13260	16.5
151.11232	2.7
153.12741	4.5
159.11664	11.5
163.11154	8.8
173.11748	14.7
177.12766	7.2
193.12480	2.4
195.13792	18.9
199.13319	6.2
209.11734	3.5
213.14864	3.5
225.83377	2.1
227.12625	4.3
229.14342	44.8
267.15964	3.0
269.17484	53.9
275.20029	4.2
276.20425	2.4
301.16394	8.6
301.19952	4.3
341.02646	2.1
393.26666	2.1
411.27094	2.2
421.44427	2.2
423.27368	13.8
437.29074	21.8
451.30823	2.3
463.30643	17.4
495.28503	4.4
495.33871	2.7
513.30396	7.4
530.36975	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28074	2.8
55.01871	6.5
55.05505	21.7
56.96563	3.0
57.03429	10.1
60.55293	3.3
65.03928	4.2
67.05173	3.9
67.05506	52.3
69.07058	11.4
71.04987	5.1
71.22157	4.7
71.22482	5.5
79.05494	39.8
81.03421	18.8
81.07066	57.7
83.04979	12.4
83.08616	14.4
85.02905	7.3
91.05478	29.6
92.05807	3.5
93.07049	43.0
95.04982	15.7
95.08600	21.5
97.02872	4.2
97.06519	11.4
97.10167	3.8
99.04486	3.5
105.07030	11.8
107.04961	13.2
107.08583	30.8
109.06512	5.0
109.10143	11.3
111.08063	5.6
116.45052	3.3
117.07041	9.2
119.08585	10.1
121.06535	3.4
121.10140	11.0
125.09669	5.4
131.08571	10.8
133.06483	3.4
133.10110	11.2
135.08069	4.0
135.11679	13.1
145.10115	11.6
147.08057	5.7
147.11652	3.5
149.09657	4.8
149.13280	7.6
153.12726	6.6
159.11687	5.4
163.11209	14.3
177.12762	9.4
195.13779	9.7
209.11714	8.0
221.85168	3.4
222.50250	3.2
227.12708	5.6
229.14299	5.2
265.14392	6.9
269.17450	30.5
283.15472	6.4
301.16611	10.1
427.36618	3.1
459.27600	14.9
477.28510	49.4
495.29590	100.0
530.35651	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	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01858	8.9
55.05267	3.1
55.05512	39.5
57.03428	19.3
57.07058	2.2
59.04994	4.1
65.03939	2.0
67.05506	100.0
68.05841	2.2
69.03421	3.0
69.07065	22.5
69.74600	4.1
69.75003	7.9
71.01350	1.9
71.04985	6.7
73.02914	5.4
74.96575	1.9
79.05492	49.7
81.03423	13.6
81.07056	91.1
82.07381	1.8
83.04971	12.7
83.08618	26.7
85.02905	11.5
85.06536	5.4
87.04488	8.8
91.05476	33.3
93.07041	47.9
95.04973	11.0
95.08614	28.3
95.15345	1.6
97.02905	4.0
97.06527	12.2
97.10167	21.5
99.08070	2.6
105.07043	15.2
107.04950	2.9
107.08601	30.4
109.06520	4.4
109.10155	48.4
111.08073	8.5
117.07043	12.4
119.08587	10.2
121.06496	4.8
121.10162	10.7
123.04382	2.0
123.08065	3.7
123.11686	4.9
125.09632	17.5
129.05470	6.5
129.07016	2.9
131.08580	12.7
133.10132	21.0
135.11685	12.3
137.09613	3.0
143.10696	2.6
145.10150	7.7
147.11723	3.1
149.09593	2.1
149.13264	16.1
151.11179	1.8
153.12758	2.9
155.10648	2.3
157.10020	2.6
157.52322	1.9
159.11710	10.5
163.11191	8.4
167.14371	2.1
173.11746	18.2
175.11301	1.7
177.12755	5.0
181.12341	1.8
185.11789	2.0
193.12193	2.6
195.13789	18.8
199.13293	11.0
209.11719	7.0
213.14879	2.0
227.12766	7.1
228.19867	2.0
229.14369	51.5
266.59280	2.1
267.15756	4.6
269.17462	51.5
283.15576	2.2
301.16385	12.8
393.26373	2.4
411.27280	5.1
423.27499	16.0
495.29596	11.4
513.30573	14.5
530.39252	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	529.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05124	0.8
51.05570	0.8
53.03943	2.4
55.01869	1.0
55.05507	15.1
57.03423	3.8
57.07062	2.9
65.03925	2.3
67.05502	45.8
69.03413	1.0
69.07069	16.4
71.04981	2.3
71.08608	1.0
71.52399	1.3
79.05492	35.2
81.03413	1.9
81.07055	52.6
83.04971	3.5
83.08610	8.0
85.06535	2.7
91.05478	23.4
93.07041	44.7
95.04959	4.4
95.08605	26.1
95.09235	1.1
97.06522	4.4
97.10167	3.0
99.08078	1.7
105.07027	17.9
105.07688	1.7
107.08591	21.9
107.46050	0.9
109.06530	2.0
109.10155	9.4
109.14825	0.9
111.08076	3.1
114.60873	0.9
117.07007	8.9
119.08590	12.9
121.06492	0.9
121.10135	19.1
123.08089	1.0
123.11700	3.9
125.45988	0.9
129.07005	2.1
131.08562	14.8
133.10124	12.0
135.07997	0.9
135.11693	10.4
139.11192	1.3
141.06981	1.3
143.08513	4.5
145.10115	9.9
147.11679	7.1
149.13258	16.6
157.10152	4.1
159.11694	10.7
161.13223	4.6
163.14870	1.6
167.08493	1.0
169.10165	3.4
171.11725	4.0
173.13251	4.9
175.14815	2.4
177.12794	2.7
179.14355	1.0
181.10191	1.3
183.11710	1.6
185.13191	1.7
187.14851	3.3
195.12048	1.4
195.13737	6.2
197.13335	1.5
199.14833	2.0
209.13187	1.1
211.14856	1.4
213.14723	1.4
253.17926	1.0
261.22153	3.8
325.25577	1.2
329.24622	1.2
363.32666	1.1
399.34488	1.1
437.34122	8.8
450.22549	1.0
450.30945	1.0
455.35751	3.8
473.36279	1.5
511.37888	4.0
529.38867	100.0
530.39240	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03937	3.6
55.01864	2.5
55.05515	19.9
57.03428	4.4
57.07069	4.3
59.81323	0.9
65.03935	4.2
67.05506	60.2
69.06722	1.7
69.07068	22.9
69.26405	12.1
71.04990	3.6
79.05494	51.4
81.03418	2.1
81.07056	64.5
83.04982	4.4
83.08624	13.2
85.06545	2.3
87.04494	1.0
91.05478	32.6
93.07047	53.1
95.04971	7.8
95.08610	35.8
95.09080	0.9
95.09225	1.6
97.06539	6.2
97.07056	1.1
97.10154	3.3
98.20802	2.5
99.08092	2.1
105.04516	1.2
105.07033	22.8
107.05025	1.1
107.08595	30.6
109.06496	2.9
109.10150	11.5
109.53018	0.9
111.08074	3.6
111.11667	1.1
116.06206	1.6
117.07020	14.6
119.08589	19.7
121.06447	1.4
121.10143	19.0
123.08069	2.1
123.11716	4.3
125.09608	1.5
128.06224	2.0
129.06984	5.4
131.08574	21.1
133.10126	15.4
135.11707	13.3
141.07037	1.6
143.08578	8.0
145.10114	16.6
147.11679	7.6
149.09691	1.5
149.13245	14.5
155.08588	3.5
157.10138	7.2
159.11702	14.1
161.13283	5.1
163.11171	1.4
167.08672	1.3
169.10159	3.8
171.11681	6.2
173.13272	6.6
177.12733	1.7
181.10146	1.4
183.11700	4.3
185.13243	5.1
187.14856	2.5
195.11929	1.8
195.13831	6.2
197.13306	3.3
199.14830	2.4
201.16457	1.4
209.13243	2.1
211.14890	1.6
213.16539	1.4
223.14882	1.9
225.16397	2.0
259.20410	1.4
261.22220	2.6
275.20145	1.5
285.22263	1.7
339.27206	1.2
419.32880	2.2
437.34116	9.3
455.35275	4.5
473.36475	1.7
511.37808	6.3
529.38885	100.0
530.39429	2.2
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
53.03939	4.7
55.01873	1.5
55.05507	17.7
57.03434	5.3
57.07066	2.5
65.03932	3.0
67.05503	67.3
68.44007	0.9
69.07064	22.3
71.04980	3.8
71.52293	1.5
71.52628	1.1
73.99194	0.9
79.05492	55.7
81.03406	1.3
81.07055	81.1
83.04984	4.7
83.08615	13.6
85.06076	1.0
85.06544	2.8
91.05481	34.1
93.07042	69.6
95.04964	8.8
95.08602	35.2
97.06524	9.6
97.10141	2.9
99.08099	2.3
105.04514	1.5
105.07031	18.2
107.04928	1.3
107.07862	2.3
107.08591	38.7
109.06512	3.6
109.10156	9.5
111.08076	6.5
113.09624	1.4
116.66779	0.9
117.06999	10.4
119.08574	12.6
121.10143	28.9
123.11713	3.8
125.09644	1.3
129.07031	2.4
131.08574	19.1
133.10121	12.6
135.11687	15.7
137.13263	1.3
139.11203	1.3
143.08548	3.1
145.10127	9.7
147.11682	5.6
149.09557	1.1
149.13257	28.6
150.13716	1.1
154.28008	1.1
155.08514	1.2
157.10136	3.2
159.11705	15.3
161.13220	3.5
169.10146	1.4
171.11705	2.9
173.13300	5.7
175.14832	1.3
177.12776	4.3
185.13298	1.5
187.14844	2.8
190.98532	1.1
195.11819	1.8
195.13823	8.1
197.13304	1.7
199.14793	2.1
201.16379	1.2
211.14755	1.3
243.21187	1.8
261.22162	5.8
307.75641	1.0
419.33450	1.2
437.33987	5.9
455.35281	2.0
482.85306	1.0
511.37985	3.1
529.38879	100.0
530.39374	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14045	0.7
53.03944	3.3
55.01858	2.6
55.05261	1.2
55.05511	17.9
57.03447	4.9
57.07061	3.4
58.12684	0.8
63.35482	0.8
65.03940	3.3
67.05505	57.2
69.07067	19.2
69.36625	4.3
69.37047	2.7
71.04984	3.2
77.03948	1.0
79.05492	46.6
81.03407	1.4
81.07056	62.7
83.04981	4.9
83.08623	10.1
85.06556	2.2
91.05482	30.7
93.07043	56.3
95.04979	7.1
95.08604	28.4
97.06528	8.9
97.10160	2.2
99.08091	2.7
103.05466	0.8
105.04494	1.4
105.06379	1.5
105.07034	20.2
106.07182	0.7
107.08596	26.4
109.06513	3.0
109.10155	10.4
111.08088	4.6
111.43395	0.7
115.05458	0.9
117.07011	11.5
119.08575	13.3
121.06499	1.1
121.10139	21.2
123.08086	1.2
123.11707	3.1
125.09628	1.4
129.06999	3.7
131.08569	17.7
133.10130	13.5
135.08104	0.8
135.11691	13.7
141.07014	1.1
142.07751	1.0
143.08554	6.3
145.10110	12.4
147.11736	5.5
149.09650	1.3
149.13252	20.7
151.11250	0.9
155.08601	2.4
157.10109	5.0
159.11687	16.1
161.13268	4.4
163.14841	1.6
167.08620	1.1
169.10158	2.6
170.31532	0.8
171.11636	5.0
173.13293	5.5
175.14876	1.2
177.12753	4.7
181.10165	1.5
183.11734	2.5
185.13239	2.6
187.14919	3.7
191.33064	1.0
195.12143	0.8
195.13750	5.2
197.13223	1.3
199.14871	2.5
201.16444	1.5
211.14845	2.1
223.14912	0.9
225.16460	1.2
239.18124	1.2
254.82091	0.9
261.22198	3.5
271.20786	0.7
317.24799	1.3
325.24982	0.9
361.22937	0.9
404.69983	0.8
419.32956	2.2
437.34299	8.5
448.15091	0.8
455.35327	2.8
461.82672	0.8
473.36234	1.3
511.37766	4.3
529.38916	100.0
530.39661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.85801	0.3
55.01862	0.5
55.05499	0.9
57.03423	0.6
61.02925	0.5
67.05497	2.1
69.03427	1.5
69.07050	1.1
69.88767	1.3
70.06583	0.5
71.04988	0.6
73.02930	0.4
79.05500	1.7
81.03407	1.1
81.07059	2.3
83.04964	0.8
83.08611	0.7
85.02898	2.4
85.06536	0.4
88.97511	0.3
91.03987	0.4
91.05476	3.0
93.07042	1.8
95.04981	1.0
95.08620	2.1
97.02901	1.0
97.06553	0.8
97.10155	0.4
98.21467	0.6
99.04423	0.4
105.07049	1.9
107.04955	0.6
107.08599	1.4
109.02876	1.1
109.06506	0.7
109.10175	1.5
119.04958	0.9
119.08577	1.5
121.06503	0.6
121.10157	1.3
125.09563	0.3
127.03921	1.2
129.07008	0.7
131.08585	0.6
133.10147	1.1
135.08044	0.6
135.11711	0.4
137.05991	1.1
137.09569	0.3
143.05649	1.0
144.04059	0.9
145.02849	0.6
145.10176	0.5
147.04401	0.8
147.08052	0.4
147.11693	1.0
149.09584	0.6
149.13324	0.3
150.69467	0.3
155.08574	0.4
159.11681	0.6
161.05936	0.3
163.11226	0.3
166.39401	0.3
167.07097	0.8
171.11646	0.3
173.13217	0.3
175.03917	0.6
177.05505	0.9
191.61778	0.4
193.12276	0.4
207.06540	1.4
275.20123	1.1
327.87384	0.4
349.23688	0.5
352.09418	0.6
358.82617	0.3
367.11765	5.0
367.28394	0.4
378.72745	0.4
499.32343	0.8
529.33521	100.0
530.33868	1.2
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
50.42971	0.8
51.02380	1.2
52.85493	0.8
53.03946	3.9
55.01877	1.9
55.05510	19.6
57.03437	4.5
57.07065	2.6
60.20590	0.9
65.03934	3.6
67.05503	65.3
69.03436	1.1
69.07067	19.0
69.40268	5.5
69.40679	2.1
71.04989	3.6
73.69696	0.7
77.03918	1.4
77.68039	0.8
79.05490	52.3
81.03429	1.6
81.07053	68.4
83.04982	4.1
83.08622	12.8
85.06534	3.6
87.04443	0.8
91.05476	31.3
93.07040	61.7
95.04964	8.5
95.08604	32.5
97.06532	7.9
97.10140	1.9
99.08105	2.0
105.04518	1.4
105.07029	19.9
106.12884	0.8
106.99572	0.8
107.08593	31.1
109.06532	2.5
109.10156	10.7
109.94543	0.8
111.08066	4.4
115.05419	1.4
117.07008	12.8
119.08581	13.9
121.06483	1.2
121.10143	23.2
123.11710	2.5
129.06998	2.8
131.08565	16.7
133.10129	13.8
135.07991	0.9
135.11694	15.4
139.11151	0.9
141.07031	1.0
143.08542	4.7
145.10136	12.3
147.11725	5.9
149.09703	0.9
149.13249	26.1
151.11125	0.9
155.08643	2.2
157.10117	4.5
159.11697	17.8
161.13275	3.8
163.14883	1.0
164.48758	0.8
165.12799	1.3
169.10161	2.2
170.38846	0.8
171.11700	4.3
173.13261	7.1
175.14716	1.0
177.12778	3.4
181.10051	0.9
183.11754	2.4
185.13281	2.5
187.14873	2.4
195.12073	1.1
195.13820	5.9
197.13234	1.5
199.14833	2.8
201.16437	1.1
213.16441	1.2
243.20995	1.3
253.14284	1.2
261.22083	4.8
299.23657	1.3
313.25171	1.1
317.24820	1.2
419.33325	1.7
437.34009	6.5
449.74698	0.9
452.42352	0.9
455.35324	1.7
511.37985	3.1
529.38898	100.0
530.39703	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01871	18.1
55.05274	1.8
55.05516	26.5
57.03438	23.5
57.07056	2.0
59.04977	2.2
61.02928	51.6
65.03953	2.4
67.05506	54.5
69.03431	27.4
69.07069	30.8
70.06590	2.3
71.01337	4.4
71.04987	5.7
71.59738	1.6
71.60152	2.6
72.08127	1.8
73.02920	20.8
79.05494	47.8
81.03410	20.3
81.07059	100.0
83.04990	10.8
83.08624	14.9
85.02437	2.9
85.02911	39.6
85.06547	5.6
86.09697	2.4
87.04453	1.4
90.33528	1.6
91.03963	20.8
91.05482	44.1
93.07047	40.1
95.04961	15.4
95.08611	41.5
97.02888	35.8
97.03505	1.8
97.06531	23.9
97.10148	9.2
97.47388	1.6
99.04472	7.9
99.08073	5.4
101.02386	10.7
105.07034	47.9
107.04958	14.0
107.08598	32.1
109.02876	9.8
109.06501	21.8
109.10156	15.8
111.08056	7.3
115.03945	3.5
117.05583	1.6
117.07009	12.6
117.93304	1.5
119.04958	3.5
119.08580	31.7
121.06511	6.7
121.10157	17.7
123.04409	4.5
123.08064	10.0
123.11728	11.6
125.09667	11.2
127.03917	14.9
128.06190	1.6
129.05482	4.1
129.06984	5.7
131.08582	20.7
133.06505	3.7
133.10130	26.4
135.08067	6.5
135.11705	12.2
137.05968	3.6
137.09616	5.8
137.13239	2.1
139.07573	1.7
141.07002	1.9
143.08621	4.1
145.04927	4.3
145.06453	2.7
145.10124	19.9
147.08066	4.9
147.11696	29.2
148.24640	1.5
149.09624	18.4
149.13280	12.7
151.07603	2.2
151.11220	3.9
155.08571	3.8
157.10118	7.7
159.06680	2.3
159.07986	2.7
159.11696	12.1
161.09618	3.5
161.13274	5.2
163.11156	10.7
165.12759	11.9
167.07054	2.3
171.10220	3.2
171.11665	3.7
173.11884	2.5
173.13249	9.9
175.04004	2.9
175.11203	5.0
175.14737	2.1
177.05548	2.2
177.12769	6.3
178.05832	1.8
179.10698	2.1
179.14282	4.5
183.06512	4.4
183.11685	2.6
185.13338	2.9
187.11252	2.9
189.11241	6.4
189.12816	1.7
193.12259	4.0
195.13867	3.0
197.13339	2.3
201.07581	3.2
201.12753	3.3
227.12791	5.4
229.14279	3.8
229.19498	4.4
233.15236	2.1
239.17914	5.4
245.13824	4.4
247.20517	5.5
253.18053	3.8
257.19022	12.9
265.21805	2.2
267.15878	1.9
269.17575	1.9
271.05994	5.4
275.20059	83.4
276.20370	2.0
278.27048	2.2
285.17078	1.6
293.21121	21.8
349.23761	30.7
367.12000	2.3
367.24774	54.0
368.25153	1.8
391.24652	2.3
493.28485	1.8
511.28424	2.4
527.34369	1.6
529.28668	6.2
529.34741	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01872	10.1
55.05308	1.9
55.05514	19.9
57.03432	20.1
57.07077	2.0
61.02613	2.2
61.02928	43.0
65.03941	4.1
67.05506	58.6
69.03432	24.4
69.07079	23.9
69.62831	1.7
71.01338	3.8
71.04974	6.4
71.27793	3.7
73.02917	15.3
77.38068	1.6
79.05494	49.1
80.24693	1.6
81.03427	22.9
81.07059	100.0
83.04973	12.0
83.08625	11.0
83.12937	1.6
85.02908	43.4
85.06541	6.6
91.03960	18.1
91.05487	53.6
93.06479	3.2
93.07047	45.5
95.04958	15.6
95.08617	34.6
97.02887	30.2
97.06543	14.2
97.10146	4.2
99.04445	7.8
99.08050	2.3
101.02393	7.7
103.03931	3.1
105.07034	48.1
107.04935	11.4
107.08595	31.1
109.02874	8.2
109.06525	13.6
109.10165	16.5
111.04489	1.9
111.08089	6.0
115.03927	3.2
115.05492	2.8
117.07034	16.6
119.04962	2.2
119.08583	42.1
121.06522	6.3
121.10146	19.2
122.77187	1.6
123.08075	8.2
123.11701	7.7
123.16286	2.1
125.09634	6.9
125.99562	2.1
127.03938	14.3
128.06230	2.3
129.05557	2.0
129.06964	6.8
131.08595	20.3
133.06490	2.2
133.10135	28.1
135.08058	9.7
135.11699	13.1
137.09566	6.6
141.06989	2.9
143.05627	2.1
143.08563	5.8
145.04982	5.9
145.06488	3.2
145.10124	21.8
147.04341	3.0
147.08073	2.0
147.11664	19.8
149.09642	14.2
149.13257	9.7
151.11215	4.4
153.01849	2.3
157.10149	7.3
159.11691	15.3
161.09639	3.8
161.13249	5.0
163.11224	10.5
163.14757	1.9
165.09109	1.9
165.12737	8.4
169.10204	4.6
171.11655	4.2
173.09666	3.4
173.13263	8.9
175.03938	3.3
175.11209	3.2
177.05450	2.3
177.12769	10.4
183.06534	2.1
183.11742	3.3
185.13327	2.0
193.12251	3.2
195.13844	8.3
197.13248	1.9
207.06465	2.6
227.12738	2.6
229.14308	3.2
229.19594	4.0
239.17935	5.9
247.20570	6.2
257.19037	7.7
267.15918	3.8
269.17365	14.8
275.20062	60.6
285.16916	2.6
293.21164	8.5
349.23770	42.0
367.11832	2.2
367.24780	31.7
413.21548	2.2
419.24869	1.8
493.27924	2.4
511.28833	4.3
529.28009	3.2
529.34558	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01872	1.1
55.05268	0.2
55.05510	2.2
57.03424	0.9
60.05636	0.2
61.02924	1.4
67.05505	2.4
69.03420	1.2
69.07073	1.4
69.60155	0.3
69.60558	1.0
69.77525	0.1
71.04993	0.5
73.02917	0.8
79.05490	2.6
81.03422	1.2
81.07061	3.2
83.04973	0.7
83.08622	0.7
85.02916	1.7
87.06712	4.0
90.28437	0.2
91.03961	0.7
91.05488	2.1
93.07038	2.1
95.04974	0.6
95.08599	1.3
96.08974	0.2
97.02890	1.4
97.06528	1.7
97.10181	1.4
98.21491	0.2
99.04451	0.2
101.03423	0.1
105.06364	0.3
105.07032	2.6
107.04958	1.0
107.08598	2.8
109.02882	0.7
109.06522	0.4
109.10168	0.7
111.04466	0.2
111.08078	0.3
115.05386	0.2
115.06126	0.2
117.07038	0.5
119.08596	1.6
121.06548	0.3
121.10165	0.9
123.08115	0.2
123.11716	0.6
125.04645	0.2
125.09624	1.7
127.03932	0.7
129.06964	0.2
131.08583	1.1
133.10123	1.1
135.08043	0.4
135.11690	0.5
137.09602	0.4
141.04025	0.4
141.06963	0.2
143.05641	100.0
144.05960	0.7
145.04990	0.2
145.10139	0.9
147.11691	1.2
149.09644	1.4
157.10170	0.4
159.11674	0.5
161.13252	0.2
163.11218	0.4
163.14972	0.2
165.12717	0.4
169.10112	0.2
171.10194	0.4
171.11681	0.3
173.11902	0.2
173.13234	0.3
175.11160	0.2
175.70955	0.2
177.05455	0.3
185.06599	0.2
185.13318	0.2
187.11168	0.2
189.11186	1.6
191.14412	0.2
193.12257	0.2
207.06590	0.2
217.08620	0.2
227.12776	1.4
229.14348	0.3
239.18019	0.2
243.15956	0.3
245.13890	0.7
252.25726	0.2
253.17914	0.4
257.18951	0.5
275.20050	3.2
287.09949	0.2
293.20834	0.2
305.10825	0.3
349.23712	3.6
367.11926	1.1
367.24829	1.1
529.24902	2.7
529.33643	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	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	25.2
56.30008	3.3
56.96561	3.8
57.03430	11.1
57.07077	3.8
65.03934	7.6
67.04100	3.3
67.05506	98.7
69.03429	6.6
69.07071	18.4
69.63864	22.0
71.01340	6.1
71.67538	4.1
73.02906	4.7
74.53621	3.3
75.04527	4.0
79.05495	57.1
81.03417	8.0
81.07059	100.0
83.04974	5.0
83.08608	17.6
85.02905	17.6
85.06492	4.0
91.05489	39.5
93.07045	78.7
95.01333	9.5
95.04984	17.5
95.08606	78.2
97.02871	3.6
97.06541	7.8
97.10186	7.5
103.03931	4.2
105.07025	31.7
107.08592	51.3
107.55753	3.6
109.06509	4.8
109.10158	37.6
111.08081	3.9
113.02345	3.6
117.07014	15.5
118.78619	3.1
119.08587	20.5
121.06555	4.8
121.10143	39.7
123.08055	4.3
123.11714	22.5
129.06996	7.3
131.08549	24.8
133.06441	4.4
133.10101	18.9
135.11699	28.9
137.13243	6.6
141.01837	11.1
143.08571	10.6
145.10120	24.4
147.11690	15.7
149.13309	18.0
157.10095	8.6
159.11699	19.5
161.09770	3.9
161.13264	11.8
163.11183	4.3
163.14824	9.4
169.10110	4.4
173.13280	14.9
175.14835	5.3
183.11586	7.0
187.14821	9.9
243.21135	22.5
261.22141	90.1
272.66989	3.0
275.20096	8.0
279.23331	8.5
335.25912	19.9
353.26917	72.6
529.35297	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.6
55.01876	18.7
55.05513	29.9
56.96563	33.1
57.03443	21.4
57.07064	11.3
61.02930	38.4
67.05517	90.2
69.03436	10.7
69.07057	41.9
69.90986	23.1
69.91398	41.0
71.04980	20.0
71.96681	9.4
72.08159	16.1
79.05497	78.1
81.03416	32.4
81.07056	84.7
83.04986	23.3
83.08587	13.5
85.02921	31.1
91.03954	20.6
91.05481	85.3
93.07053	63.1
95.01319	14.1
95.04995	19.3
95.08607	44.5
97.06543	29.8
97.10221	13.1
98.20805	13.7
105.07052	57.9
107.04977	24.5
107.08600	38.8
109.02870	12.4
109.10176	39.3
117.07036	21.3
119.08612	38.3
121.10142	14.7
127.03949	16.6
129.07072	13.0
131.08594	44.0
133.10141	38.3
137.09621	14.3
145.10153	23.3
147.11681	18.8
149.09679	13.7
157.10165	15.5
159.11761	11.7
180.39326	9.9
269.10513	22.0
275.20004	55.2
284.12698	16.1
293.21179	25.8
331.15714	13.1
349.16949	28.5
349.23785	100.0
359.17172	13.4
367.18008	69.6
408.20435	11.4
529.34644	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01875	6.8
55.05510	7.4
56.96553	1.1
57.03447	4.0
61.02927	8.0
64.19270	0.8
65.03951	1.2
67.05171	1.2
67.05504	14.6
69.03426	5.8
69.07066	9.1
70.05176	2.9
71.04980	1.6
73.02909	5.0
77.09567	0.8
79.05063	1.0
79.05491	11.6
81.03421	4.6
81.07058	14.8
83.04984	3.5
83.08627	4.4
85.02905	10.1
85.06519	1.3
91.03952	4.6
91.05482	12.0
92.05809	0.6
93.07042	10.9
95.04983	4.3
95.08604	8.2
97.02886	8.5
97.06525	10.5
97.10170	5.6
97.63555	0.7
99.04447	1.5
101.02361	1.1
103.05466	1.0
105.07037	11.0
107.04960	5.3
107.08604	12.7
109.02850	2.5
109.06502	2.7
109.10150	6.3
110.10446	0.8
111.04400	0.8
111.08123	0.9
112.33114	0.7
115.05420	1.0
117.07016	2.5
119.04945	2.1
119.08578	8.8
121.02890	1.9
121.06513	1.4
121.10128	4.9
123.04450	0.8
123.08056	2.1
123.11739	1.9
125.09642	6.5
127.03937	3.8
129.06976	0.9
131.08577	4.3
132.50436	0.7
133.06508	1.7
133.10136	7.1
135.08061	2.6
135.11697	2.7
137.09631	1.0
143.05608	1.3
143.08571	1.4
145.02890	1.0
145.04913	0.8
145.06522	0.8
145.10138	4.0
147.11678	4.8
149.09633	8.3
149.13263	1.3
151.11174	1.4
153.01840	4.9
155.08525	1.2
157.10120	1.8
159.08122	1.0
159.11674	3.4
161.09709	1.2
161.13235	2.5
163.03915	0.8
163.11214	3.6
165.12842	1.1
167.07092	1.3
168.07274	0.7
171.02843	0.8
171.10150	3.0
171.11528	1.0
173.09654	1.5
173.11830	1.1
173.13254	2.6
177.05447	1.4
177.12724	0.8
179.14323	1.5
187.11229	1.1
189.11258	6.5
195.13768	0.7
197.13284	1.1
205.12320	0.9
207.06497	1.8
227.12794	6.1
229.14418	1.7
245.13835	4.1
253.18031	2.7
257.18991	2.8
269.17361	1.0
271.06009	100.0
272.06229	5.1
275.20078	15.9
293.20975	1.8
349.23773	17.4
367.11902	1.0
367.24707	6.4
429.26544	0.8
529.35394	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	529.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42282	0.2
53.03942	0.3
53.14548	0.2
55.01882	1.0
55.05512	1.3
57.03445	0.8
60.05639	0.2
61.02919	1.0
64.87015	0.1
65.03927	0.2
67.05507	1.9
69.03431	1.1
69.07073	1.2
71.05005	0.3
73.02924	0.6
79.05498	2.0
81.03419	1.2
81.06638	0.2
81.07063	2.6
83.02451	0.2
83.04973	0.5
83.08613	0.8
85.02913	1.4
85.06544	0.2
87.06718	3.4
91.03954	0.7
91.05489	1.9
93.07049	2.0
95.04966	0.6
95.08620	1.0
97.02910	1.1
97.06557	1.0
97.07063	0.2
97.10191	1.1
98.20709	0.3
99.04436	0.3
101.02386	0.2
105.07036	2.3
107.04946	0.8
107.08594	2.2
109.02875	0.8
109.06494	0.3
109.10166	0.6
111.08112	0.1
117.07043	0.7
119.08624	1.2
121.06472	0.2
121.10188	0.9
123.08042	0.3
123.11691	0.6
125.09660	1.0
126.03046	0.2
127.03942	0.8
127.16104	0.2
131.08554	0.7
133.06419	0.2
133.10132	1.0
135.08092	0.3
135.11652	0.2
141.04083	0.5
143.05649	100.0
145.04915	0.2
145.10141	0.7
147.11696	1.6
149.09669	1.2
151.11174	0.3
157.10138	0.2
159.11653	0.4
161.05939	0.2
161.09628	0.2
161.13277	0.3
163.11163	0.4
165.12776	0.6
167.07054	0.2
169.10109	0.2
171.10172	0.3
173.13272	0.5
177.12778	0.3
185.06599	0.3
189.11237	1.2
217.34299	0.2
219.13757	0.2
227.12778	1.4
243.15865	0.3
245.13895	0.7
246.85994	0.2
257.19055	0.6
275.20087	2.7
293.21188	0.2
305.10934	0.4
313.07068	0.2
349.23743	3.2
367.11743	1.2
367.24710	0.8
529.24976	2.9
529.33777	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	529.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
57.03423	0.3
61.02916	0.3
66.93791	0.2
67.05494	0.7
69.03409	0.6
70.06599	0.3
71.60386	0.3
74.09525	0.1
79.05480	0.4
81.03411	0.4
81.07048	0.8
83.04986	0.3
84.08144	0.2
84.96041	0.2
85.02889	0.7
91.05479	0.6
92.55666	0.2
93.07038	0.4
95.04955	0.4
95.08602	0.5
97.02898	0.4
100.11239	0.2
103.05438	0.2
105.03407	0.2
105.07027	0.5
107.04974	0.4
107.08597	0.5
109.02880	0.4
109.06560	0.3
109.10159	0.5
118.43861	0.2
118.93714	0.2
119.04942	0.4
119.08602	0.4
121.06466	0.3
121.10139	0.3
123.08081	0.2
125.09709	0.2
127.03935	0.4
128.01657	0.2
131.08562	0.4
133.10132	0.3
134.03647	0.5
135.11665	0.4
137.02359	0.2
137.06007	0.4
138.05518	0.2
143.05669	0.8
145.02831	0.4
147.04414	0.7
147.11658	0.2
149.06021	0.2
151.03874	0.3
151.07501	0.2
153.05496	0.2
165.05501	0.2
167.07071	0.7
172.05208	0.2
175.03885	0.5
177.01862	0.3
177.05475	0.6
191.07089	0.3
192.10254	0.3
194.02083	0.4
201.05463	0.9
203.03467	0.4
207.03009	0.2
207.06566	0.6
215.82986	0.2
218.05658	0.2
219.06540	0.4
221.04408	1.2
236.06859	0.7
237.05467	0.3
250.09991	0.2
253.04962	0.4
253.08661	0.3
254.05804	0.2
261.09296	0.3
263.07132	0.4
265.04745	0.4
265.08844	0.3
267.06546	0.4
269.08087	0.3
270.05255	0.3
277.08649	0.6
278.09393	0.3
279.10275	0.4
281.05203	0.2
281.08081	1.0
282.05179	0.8
287.05835	0.2
289.08487	0.4
292.07312	0.3
293.04547	0.4
295.06027	1.1
295.09671	0.6
296.10446	0.4
297.07596	1.5
298.04688	4.4
301.07086	0.4
305.08075	0.3
306.08905	0.4
307.09625	0.4
309.04031	0.3
309.07532	2.6
310.04712	1.3
310.08017	0.3
311.09253	0.4
313.07040	8.1
317.08105	0.5
319.05902	0.2
320.06766	0.2
321.07715	0.3
321.11276	0.3
323.05566	1.0
323.08951	0.3
324.06137	0.6
324.09842	0.2
325.07022	2.8
325.10782	0.9
327.08820	0.3
333.07596	0.5
334.08453	1.7
335.09143	0.8
337.07068	7.1
338.07806	1.5
339.08691	1.1
339.12326	0.4
349.10709	2.9
351.08600	1.1
352.09418	9.3
353.09888	0.5
367.11777	100.0
368.12158	2.7
485.26370	0.7
511.23889	1.0
529.17114	0.7
529.25232	4.8
529.33264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1336
Annotation	Justalakonin
Peak:m/z	Relative Intensity
53.03933	0.9
55.01875	7.4
57.03442	3.6
61.02921	3.1
65.03925	1.9
67.05470	1.0
68.99767	1.4
69.03413	3.3
70.06576	1.7
71.05011	0.7
71.60303	0.9
73.02905	1.1
77.52030	0.6
79.05483	0.8
81.03408	3.5
81.07024	0.8
83.04951	1.1
84.08120	1.1
85.02901	7.6
86.09685	3.7
87.06692	1.8
87.10021	0.9
91.05487	3.9
93.03404	1.2
93.06989	0.7
95.04975	1.7
97.02850	2.3
99.04427	0.9
103.03911	1.9
103.05456	1.8
105.03397	0.9
105.07024	1.4
107.04948	6.2
109.02879	4.9
109.06488	0.7
111.04420	2.2
115.05437	1.3
117.07015	1.5
119.04941	15.4
119.08504	1.6
121.02866	51.0
121.06458	1.9
123.04421	1.3
125.12720	0.6
127.03901	1.5
129.06972	0.7
131.04890	2.6
133.02821	0.9
133.06458	1.2
133.10159	0.9
135.04404	2.6
137.02351	1.1
137.06001	1.1
141.01848	0.8
141.06830	0.7
143.05647	73.4
145.02837	7.8
145.06506	1.0
147.04402	3.9
149.02258	0.8
149.05940	1.5
155.04887	1.1
159.04427	3.4
161.02367	1.5
161.05972	1.6
161.09653	1.0
163.03908	2.8
165.01759	1.2
167.03458	1.0
167.07074	1.2
169.06511	0.8
170.22316	0.7
170.38509	0.6
171.03035	0.6
171.04411	2.6
173.05920	1.4
175.03925	3.9
177.01826	2.2
177.05479	2.9
179.03400	2.0
179.10585	1.7
183.04350	0.8
185.05998	1.8
187.03888	3.2
189.01799	8.3
189.05437	2.4
190.02589	0.6
191.03378	4.8
192.04153	1.0
193.04932	1.0
194.02097	0.8
195.02898	13.8
197.04410	1.1
197.05963	1.6
199.03889	2.9
201.01837	1.7
201.05502	3.0
203.03392	22.5
204.04218	0.9
205.04965	2.7
207.02866	12.5
207.06412	1.7
207.09993	0.9
209.04422	2.3
211.03941	1.5
213.05455	2.8
215.03377	10.1
217.04971	10.0
218.05598	0.9
219.02934	3.1
219.06485	1.7
221.04425	12.3
223.05675	0.8
225.03683	1.0
225.05518	1.7
225.11134	0.7
227.03455	4.0
227.06929	0.8
229.04948	6.2
231.02882	2.9
231.06561	1.2
233.04446	6.3
235.05826	1.3
237.05428	1.7
239.03348	1.0
239.07121	0.9
241.04936	3.1
243.02882	4.6
243.06505	1.4
245.04414	4.5
247.06067	1.1
249.03966	1.8
251.07001	1.1
253.04967	2.3
255.02966	3.2
255.06526	2.3
257.04416	2.2
259.06158	1.4
261.03949	3.5
265.05008	1.0
266.05762	0.8
267.06519	2.9
268.07257	3.0
269.04425	2.1
269.07986	1.0
271.05939	1.4
273.04065	4.6
277.08661	1.2
279.06610	5.0
280.07358	1.0
281.04462	1.8
281.08115	2.4
282.05249	0.9
283.05981	9.1
285.03915	1.8
289.08578	1.1
291.06641	1.1
292.07269	3.6
293.04736	1.2
293.08124	4.8
294.05206	8.6
295.06006	100.0
296.06766	5.3
297.04468	1.1
297.07477	5.8
303.06537	0.8
304.07419	1.6
305.08044	4.7
306.08884	2.1
307.06012	54.6
307.09351	2.7
308.06720	9.0
309.03992	2.0
309.07492	20.8
310.08191	0.7
313.07074	2.0
317.08014	6.4
318.08978	1.3
319.06003	6.0
319.09637	1.6
320.06760	8.2
321.07571	62.5
322.04736	1.8
322.08322	7.0
323.05466	2.8
323.09164	6.6
325.07034	42.3
329.08087	5.7
330.08633	0.9
331.05975	1.7
331.09695	2.2
332.06619	0.9
333.07544	36.3
334.08334	4.2
335.05402	3.1
335.09122	26.7
335.12579	0.5
336.06171	3.9
336.09879	1.6
337.07053	21.3
337.10764	1.4
339.05008	1.4
339.08743	3.0
343.09750	1.2
344.06647	0.8
345.07581	23.2
346.08499	2.4
347.05429	1.3
347.09125	15.4
348.06262	1.7
349.07053	71.2
349.10364	3.4
350.07651	2.2
351.04852	1.3
351.08649	10.3
353.06454	1.8
353.10309	0.8
355.08118	0.7
357.07474	2.9
358.08334	1.7
359.09189	6.3
361.07004	39.9
361.10562	2.7
362.07697	2.4
363.08615	21.3
363.13046	1.2
365.06534	1.3
365.10214	4.9
367.08060	6.6
371.09143	3.5
373.06985	17.4
373.10870	1.8
374.07657	2.2
375.04111	0.9
375.08682	16.2
377.06134	1.2
377.10559	3.1
379.08112	54.7
381.09851	1.0
383.09167	0.9
385.06717	3.2
386.07828	0.9
387.08624	9.8
389.06439	0.7
389.10275	7.4
391.08090	60.9
392.08630	0.7
393.09634	4.5
395.07343	0.8
397.09167	35.6
397.34509	0.8
399.08612	7.4
401.10199	6.1
403.08102	18.9
405.09845	6.6
407.07620	1.6
409.09183	47.6
411.09119	0.9
415.07971	11.9
416.08643	0.9
417.09723	6.1
419.11658	5.1
421.09167	13.1
423.10898	0.8
425.08405	0.9
427.10342	36.9
428.09671	0.9
429.09702	4.9
433.09183	21.6
435.11154	1.2
437.12549	1.9
439.10303	12.4
445.09161	22.6
447.10703	4.0
451.10223	14.0
457.09183	13.0
463.10236	12.0
465.11783	2.4
469.11356	5.9
475.10236	22.0
481.11307	27.8
493.11295	42.9
499.12338	2.4
511.12372	84.3
512.12964	0.9
529.13385	41.4
529.21143	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	529.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01875	7.4
57.03442	3.6
61.02921	3.1
65.03925	1.9
67.05470	1.0
68.99767	1.4
69.03413	3.3
70.06576	1.7
71.05011	0.7
71.60303	0.9
73.02905	1.1
77.52030	0.6
79.05483	0.8
81.03408	3.5
81.07024	0.8
83.04951	1.1
84.08120	1.1
85.02901	7.6
86.09685	3.7
87.06692	1.8
87.10021	0.9
91.05487	3.9
93.03404	1.2
93.06989	0.7
95.04975	1.7
97.02850	2.3
99.04427	0.9
103.03911	1.9
103.05456	1.8
105.03397	0.9
105.07024	1.4
107.04948	6.2
109.02879	4.9
109.06488	0.7
111.04420	2.2
115.05437	1.3
117.07015	1.5
119.04941	15.4
119.08504	1.6
121.02866	51.0
121.06458	1.9
123.04421	1.3
125.12720	0.6
127.03901	1.5
129.06972	0.7
131.04890	2.6
133.02821	0.9
133.06458	1.2
133.10159	0.9
135.04404	2.6
137.02351	1.1
137.06001	1.1
141.01848	0.8
141.06830	0.7
143.05647	73.4
145.02837	7.8
145.06506	1.0
147.04402	3.9
149.02258	0.8
149.05940	1.5
155.04887	1.1
159.04427	3.4
161.02367	1.5
161.05972	1.6
161.09653	1.0
163.03908	2.8
165.01759	1.2
167.03458	1.0
167.07074	1.2
169.06511	0.8
170.22316	0.7
170.38509	0.6
171.03035	0.6
171.04411	2.6
173.05920	1.4
175.03925	3.9
177.01826	2.2
177.05479	2.9
179.03400	2.0
179.10585	1.7
183.04350	0.8
185.05998	1.8
187.03888	3.2
189.01799	8.3
189.05437	2.4
190.02589	0.6
191.03378	4.8
192.04153	1.0
193.04932	1.0
194.02097	0.8
195.02898	13.8
197.04410	1.1
197.05963	1.6
199.03889	2.9
201.01837	1.7
201.05502	3.0
203.03392	22.5
204.04218	0.9
205.04965	2.7
207.02866	12.5
207.06412	1.7
207.09993	0.9
209.04422	2.3
211.03941	1.5
213.05455	2.8
215.03377	10.1
217.04971	10.0
218.05598	0.9
219.02934	3.1
219.06485	1.7
221.04425	12.3
223.05675	0.8
225.03683	1.0
225.05518	1.7
225.11134	0.7
227.03455	4.0
227.06929	0.8
229.04948	6.2
231.02882	2.9
231.06561	1.2
233.04446	6.3
235.05826	1.3
237.05428	1.7
239.03348	1.0
239.07121	0.9
241.04936	3.1
243.02882	4.6
243.06505	1.4
245.04414	4.5
247.06067	1.1
249.03966	1.8
251.07001	1.1
253.04967	2.3
255.02966	3.2
255.06526	2.3
257.04416	2.2
259.06158	1.4
261.03949	3.5
265.05008	1.0
266.05762	0.8
267.06519	2.9
268.07257	3.0
269.04425	2.1
269.07986	1.0
271.05939	1.4
273.04065	4.6
277.08661	1.2
279.06610	5.0
280.07358	1.0
281.04462	1.8
281.08115	2.4
282.05249	0.9
283.05981	9.1
285.03915	1.8
289.08578	1.1
291.06641	1.1
292.07269	3.6
293.04736	1.2
293.08124	4.8
294.05206	8.6
295.06006	100.0
296.06766	5.3
297.04468	1.1
297.07477	5.8
303.06537	0.8
304.07419	1.6
305.08044	4.7
306.08884	2.1
307.06012	54.6
307.09351	2.7
308.06720	9.0
309.03992	2.0
309.07492	20.8
310.08191	0.7
313.07074	2.0
317.08014	6.4
318.08978	1.3
319.06003	6.0
319.09637	1.6
320.06760	8.2
321.07571	62.5
322.04736	1.8
322.08322	7.0
323.05466	2.8
323.09164	6.6
325.07034	42.3
329.08087	5.7
330.08633	0.9
331.05975	1.7
331.09695	2.2
332.06619	0.9
333.07544	36.3
334.08334	4.2
335.05402	3.1
335.09122	26.7
335.12579	0.5
336.06171	3.9
336.09879	1.6
337.07053	21.3
337.10764	1.4
339.05008	1.4
339.08743	3.0
343.09750	1.2
344.06647	0.8
345.07581	23.2
346.08499	2.4
347.05429	1.3
347.09125	15.4
348.06262	1.7
349.07053	71.2
349.10364	3.4
350.07651	2.2
351.04852	1.3
351.08649	10.3
353.06454	1.8
353.10309	0.8
355.08118	0.7
357.07474	2.9
358.08334	1.7
359.09189	6.3
361.07004	39.9
361.10562	2.7
362.07697	2.4
363.08615	21.3
363.13046	1.2
365.06534	1.3
365.10214	4.9
367.08060	6.6
371.09143	3.5
373.06985	17.4
373.10870	1.8
374.07657	2.2
375.04111	0.9
375.08682	16.2
377.06134	1.2
377.10559	3.1
379.08112	54.7
381.09851	1.0
383.09167	0.9
385.06717	3.2
386.07828	0.9
387.08624	9.8
389.06439	0.7
389.10275	7.4
391.08090	60.9
392.08630	0.7
393.09634	4.5
395.07343	0.8
397.09167	35.6
397.34509	0.8
399.08612	7.4
401.10199	6.1
403.08102	18.9
405.09845	6.6
407.07620	1.6
409.09183	47.6
411.09119	0.9
415.07971	11.9
416.08643	0.9
417.09723	6.1
419.11658	5.1
421.09167	13.1
423.10898	0.8
425.08405	0.9
427.10342	36.9
428.09671	0.9
429.09702	4.9
433.09183	21.6
435.11154	1.2
437.12549	1.9
439.10303	12.4
445.09161	22.6
447.10703	4.0
451.10223	14.0
457.09183	13.0
463.10236	12.0
465.11783	2.4
469.11356	5.9
475.10236	22.0
481.11307	27.8
493.11295	42.9
499.12338	2.4
511.12372	84.3
512.12964	0.9
529.13385	41.4
529.21143	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	528.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79274	0.2
53.03933	0.4
55.01864	0.4
55.05481	0.7
56.05005	0.3
57.03407	0.5
61.02880	0.9
67.05487	0.7
69.03427	1.9
69.07034	0.8
70.06580	2.2
71.04976	0.6
71.06091	0.5
71.06426	0.3
72.04451	0.6
72.08127	0.6
72.14362	0.3
72.83723	0.3
73.02877	1.0
74.06037	0.4
79.05459	0.7
81.03397	1.4
81.07010	0.9
81.07457	0.3
84.04455	0.4
84.08096	0.5
84.86759	0.3
85.02917	1.9
86.06042	0.4
86.09678	1.0
91.05486	2.2
92.05010	2.7
93.05740	0.5
93.07006	0.5
94.06538	0.7
95.04922	0.5
95.08556	0.4
97.02854	1.2
97.06542	0.3
103.05399	0.3
105.07062	0.6
105.66790	0.3
106.06517	1.0
107.08569	0.7
109.02853	0.9
109.10139	0.7
110.06033	0.3
110.07147	2.9
111.04455	0.4
111.08021	0.3
114.06616	0.5
117.05726	1.2
117.93359	0.3
118.06544	9.8
119.04920	0.8
119.07267	1.0
120.08057	1.3
121.02818	0.6
121.06446	0.7
122.05968	0.4
123.04371	0.4
124.03944	0.3
127.03916	1.3
130.06500	1.1
133.02797	0.3
133.06406	0.3
135.04338	0.4
136.07547	0.7
137.05957	0.6
138.05449	0.4
140.08115	0.4
143.05637	4.3
144.04016	0.8
144.05963	0.3
144.08008	0.5
145.02792	0.5
145.97221	0.3
146.09555	0.5
147.04344	0.9
149.05945	0.5
149.09630	0.4
151.03841	0.4
156.07629	0.8
160.07175	0.7
161.05959	0.4
162.09146	12.3
163.03897	0.3
163.07602	0.4
163.09943	2.9
164.07025	0.6
164.10716	0.7
167.06989	0.6
175.03926	0.6
176.10690	0.6
177.05431	0.9
178.04950	0.3
180.10229	0.7
202.15907	2.5
206.04420	0.8
207.06546	1.1
208.09622	1.5
222.03937	0.3
230.15392	22.9
248.16455	1.2
252.09999	0.4
274.18188	0.4
284.17685	0.4
292.19067	37.6
293.19504	0.6
295.05823	0.5
304.19055	1.2
304.80835	0.3
321.10831	0.6
322.12640	0.4
349.07172	0.5
366.23041	7.2
397.09265	0.4
415.07907	0.3
501.79492	0.3
511.12234	0.3
528.28058	100.0
529.28516	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
54.03465	0.7
55.01867	1.0
57.19590	0.7
61.02909	0.9
64.15830	0.8
65.03909	0.9
67.05507	1.0
69.03416	2.2
70.06589	100.0
71.04990	1.3
71.59832	0.9
73.71546	0.8
75.84633	0.8
79.05486	1.3
81.03396	2.1
81.07014	0.9
84.08118	2.0
84.12873	0.8
85.02898	3.0
85.03716	0.8
86.09697	1.6
91.05482	2.2
93.07030	0.8
95.04949	2.2
97.02902	1.2
105.07032	0.9
107.04962	2.7
109.02889	1.7
119.04929	2.9
121.02860	15.4
123.04391	1.1
143.05692	4.0
145.02817	2.9
147.04428	1.3
149.09587	0.9
152.53374	0.9
159.04388	1.0
163.03925	1.8
171.89606	1.0
173.05942	1.1
175.03894	2.8
177.05496	1.7
191.03407	1.4
193.12158	2.5
201.05424	1.7
203.03395	15.6
205.04927	1.4
206.04544	0.9
207.06522	1.8
209.04457	1.1
213.05486	1.0
215.03406	0.9
215.06895	1.1
217.04832	1.7
219.06490	1.9
221.04434	10.5
225.05437	0.9
229.05017	2.3
232.35129	0.9
233.04440	1.0
237.10794	0.7
241.23155	0.8
243.06503	2.0
247.05988	1.4
253.05093	1.1
271.05984	1.3
279.06622	1.2
281.04416	1.5
285.16864	1.7
293.08185	1.8
297.07687	1.2
305.08017	1.5
307.05942	2.0
307.09338	1.2
308.06631	3.8
309.07529	31.9
310.08005	1.3
319.09491	1.4
321.07562	93.8
322.08044	3.5
323.09100	1.6
333.07532	4.0
333.11127	1.2
335.05475	1.5
335.09061	7.5
339.08545	9.8
343.09558	2.1
345.07391	1.7
347.09119	17.9
349.10648	5.4
351.08569	19.1
359.09018	2.6
361.10687	13.6
363.08560	11.5
371.09082	2.2
375.08603	25.2
376.08698	0.9
387.08286	9.0
387.12585	0.9
389.10065	2.3
393.09671	6.4
399.08710	10.1
405.09698	18.4
408.14325	8.7
417.09772	8.8
423.10681	8.6
432.14499	8.0
435.10684	14.2
441.11786	51.8
442.11880	2.6
453.11838	18.9
459.12946	3.6
462.15521	1.1
492.16315	6.1
510.17526	29.4
511.18011	1.0
528.18018	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	528.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02691	0.8
54.03456	1.1
55.43923	0.8
56.96570	6.3
59.74054	0.8
69.03416	1.6
69.07062	1.0
70.06596	100.0
70.17626	1.8
70.18031	2.3
73.84424	0.8
77.44501	0.9
81.03414	2.0
81.07076	1.5
83.04955	0.8
84.08150	1.0
84.28346	0.8
84.96040	2.4
85.02911	1.9
86.09702	2.1
89.15502	0.8
91.05486	6.6
93.07024	1.3
95.08591	0.7
97.02864	2.0
98.97600	7.8
105.07007	1.0
107.04965	2.4
109.02858	0.9
110.97586	1.5
116.98624	5.8
119.04943	2.0
119.08616	1.2
120.06456	0.9
121.02871	8.8
121.06499	1.4
124.07576	0.9
127.03967	1.5
128.98595	4.6
131.00200	2.0
134.99661	3.3
143.00154	1.3
143.05684	1.9
145.02834	1.7
146.99649	3.8
158.99738	1.7
161.01265	5.0
166.08560	0.8
167.00143	1.0
170.99588	1.2
174.45094	0.9
175.03993	0.9
177.00763	3.2
177.05594	1.1
179.02217	1.2
185.01218	2.2
189.00702	3.8
191.03453	2.6
195.01593	0.9
197.04660	0.9
201.00737	2.1
201.05463	1.2
203.03595	9.4
205.04826	0.9
207.01759	1.1
209.04527	1.2
210.99173	1.3
217.05042	2.2
219.01755	9.6
221.04475	5.8
229.00160	9.4
229.05046	1.3
237.00479	1.4
237.02838	24.8
243.06575	3.2
247.01341	3.1
255.03865	2.4
260.04507	1.1
269.04422	1.6
271.01172	1.1
279.06659	1.8
293.08203	2.1
295.06079	3.7
303.03845	1.5
307.06046	5.0
307.09399	1.5
307.13593	1.0
308.06705	4.8
309.07562	29.5
313.02524	0.9
315.03598	1.0
320.06839	1.1
321.07605	47.1
322.08359	8.0
323.09149	2.9
333.07581	2.7
334.08441	1.3
335.05615	1.4
335.09207	7.9
337.02289	1.0
339.08594	11.5
346.08463	1.2
347.09317	4.0
349.07098	1.6
349.10779	5.8
351.05045	1.1
351.09006	20.4
355.03360	6.5
355.12692	1.0
361.06976	1.3
361.10812	8.6
363.08667	6.4
373.04337	1.7
375.08575	12.1
377.10132	2.1
381.09702	2.0
389.10214	2.7
393.09891	4.2
405.09744	9.4
408.14478	7.5
417.09821	8.2
423.10757	11.1
435.10773	11.8
438.15521	2.0
441.11810	35.8
450.02710	0.9
453.11847	18.2
459.12860	23.0
469.06335	1.6
471.12820	10.3
487.07620	27.6
488.08020	1.2
496.17688	1.4
505.08743	1.7
510.09912	1.0
510.17691	19.2
511.17764	0.8
528.18658	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59793	0.6
51.02383	0.8
53.03944	1.9
55.01861	2.6
55.02117	0.7
55.05257	1.1
55.05510	16.3
57.03434	3.1
57.07069	1.9
58.05533	0.5
59.05001	0.7
61.02904	0.6
65.03922	0.9
67.05503	33.3
68.27392	0.6
69.03426	1.7
69.07072	11.7
69.79003	0.6
69.93105	2.2
69.93511	1.4
71.04991	3.3
75.91695	0.5
77.26657	0.6
79.05491	24.5
80.05848	0.7
81.03416	18.7
81.07053	25.1
83.04982	3.4
83.08617	11.1
85.06509	1.5
86.00854	0.7
87.05888	0.6
89.06038	0.8
91.05480	21.5
93.07041	22.5
95.04962	7.7
95.08605	19.5
97.02871	1.0
97.06524	2.5
97.10175	6.6
105.07027	19.2
107.04948	1.9
107.08597	13.3
109.06512	2.6
109.10148	11.7
111.08080	2.6
113.09669	0.7
115.05483	2.1
117.07021	10.3
119.08584	14.8
121.06519	1.3
121.10134	9.7
123.08080	2.0
123.11719	1.5
125.09624	5.3
128.06233	1.8
129.06989	11.8
130.07806	0.9
131.08559	17.3
133.06549	1.0
133.10147	8.9
135.08063	1.1
135.11713	5.0
137.09625	1.4
141.06964	3.4
142.07803	2.6
143.08557	13.6
145.10107	13.2
147.08025	0.8
147.11707	6.6
149.09653	1.2
149.13295	1.9
153.07011	0.8
155.08545	8.3
156.09291	1.0
157.10132	14.0
159.08116	0.6
159.11682	11.1
161.13275	2.6
163.11162	0.8
163.14859	0.8
165.12741	0.7
167.08566	2.5
168.09361	1.2
169.10135	8.6
171.11700	10.0
173.09708	0.9
173.11754	1.6
173.13281	4.7
175.11212	2.1
175.14850	1.6
175.54633	0.6
181.10120	4.6
182.10822	0.9
183.11693	9.6
183.64621	0.6
185.13213	7.1
187.11119	0.8
187.14827	2.6
189.11317	3.2
189.12755	0.7
191.61121	0.7
193.10356	1.5
193.12283	7.8
195.11792	4.4
195.13530	1.0
197.13242	6.2
198.97490	0.7
199.14853	3.7
201.16414	1.4
207.11757	1.8
209.13245	4.4
211.14854	3.8
213.16406	1.7
215.17998	0.9
221.13382	1.0
223.14861	2.9
225.16397	1.8
235.14792	1.4
237.16382	1.6
239.17996	0.9
243.21082	1.0
249.14708	0.9
251.18079	1.3
261.22144	3.2
265.19571	1.1
269.19073	0.7
271.20386	0.7
273.18802	0.9
277.19571	0.7
279.21057	0.9
281.19040	0.9
283.20630	1.5
285.22192	1.2
287.20038	0.9
295.20642	1.0
297.22162	1.3
299.20242	0.9
299.23743	1.0
301.21680	0.8
301.25269	1.6
309.22122	1.7
311.23779	1.4
315.23260	0.8
323.23730	1.2
325.25259	0.8
325.84195	0.7
327.23328	2.0
337.25443	1.0
339.23013	0.7
341.24841	1.3
347.23651	0.8
372.03299	1.0
380.21463	0.8
407.33102	1.3
417.31598	4.7
435.32642	16.0
453.33713	10.4
471.34665	6.2
473.34393	1.5
491.35257	1.7
509.36383	7.1
515.80286	0.8
527.37323	100.0
528.37488	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	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01861	2.1
55.05267	0.8
55.05515	14.1
57.03428	2.0
57.07071	1.8
61.02945	0.7
65.03931	1.7
67.05508	25.0
67.05875	1.3
69.03446	1.5
69.07073	11.4
69.54477	1.4
69.54893	3.8
71.04985	2.0
79.05499	20.1
81.03426	12.0
81.07062	24.7
83.04974	2.5
83.08620	8.6
85.06550	1.6
91.04976	0.6
91.05481	18.6
93.07047	20.0
95.04968	6.2
95.08047	1.3
95.08613	16.3
97.06544	1.8
97.10161	5.4
103.05424	0.8
105.07033	17.4
107.04944	1.9
107.08595	10.5
109.06500	1.4
109.10156	9.6
111.08084	2.5
115.05452	1.2
117.07015	8.4
119.07787	1.0
119.08591	13.4
121.06541	0.6
121.10144	7.6
122.79830	0.6
123.08036	0.8
123.11660	0.9
125.09626	3.1
128.06230	2.8
129.06995	8.5
131.08563	15.1
131.09531	1.2
133.06502	1.0
133.10135	9.4
135.08087	1.0
135.11700	3.9
137.09622	0.9
139.11104	0.8
141.07016	2.7
141.09280	0.6
142.07776	1.7
143.08574	10.2
144.09325	0.7
145.10112	11.7
147.08028	1.2
147.11699	6.3
149.09639	1.5
149.13242	3.3
153.09064	0.8
155.08536	4.4
156.09357	1.1
157.10126	9.7
159.08115	0.8
159.11685	9.3
161.13284	2.2
167.08569	1.7
168.09377	1.1
169.10143	7.1
171.11682	8.6
173.13239	6.8
175.11206	1.5
175.14871	1.2
177.05470	2.1
179.08485	1.1
181.10147	2.2
182.11028	0.8
183.07907	0.6
183.11705	6.6
185.13272	5.9
187.11238	0.7
187.14864	2.7
189.11270	2.4
193.10507	1.0
193.12227	6.1
195.11742	2.1
197.13223	5.5
198.97359	1.0
199.14812	4.4
201.12923	0.7
201.16484	0.9
207.11627	0.8
209.13268	2.3
211.14848	3.3
213.16380	1.1
221.13286	1.0
223.14830	2.0
225.16467	1.6
227.14067	0.6
235.14920	1.0
237.16426	1.3
239.17972	1.2
240.62532	0.6
241.19598	0.9
251.17976	1.2
256.54822	0.6
257.18976	1.0
259.20630	1.8
261.22159	1.7
263.17892	0.8
273.18433	1.0
279.21237	0.7
283.20459	1.2
285.22153	0.6
297.22452	0.8
299.23602	0.9
301.21872	0.9
301.25342	1.7
311.23816	1.3
313.21637	1.0
315.23169	1.7
317.24667	0.8
323.23840	1.4
325.24969	0.9
327.23126	1.4
353.24786	0.8
367.26392	0.8
417.31638	2.8
435.32663	10.9
453.33679	8.4
467.58060	0.7
471.34882	6.2
491.35184	1.3
509.36166	4.9
527.37354	100.0
528.37689	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05629	0.7
52.57881	0.6
53.03942	1.6
55.01865	1.8
55.05507	12.4
57.03425	4.0
57.07076	1.3
65.03934	1.0
67.05502	26.0
69.03403	0.9
69.07066	8.7
71.04986	2.1
71.08635	0.7
79.05057	1.3
79.05488	18.5
81.03420	6.8
81.07055	24.4
83.04968	2.1
83.08619	7.3
85.06523	1.5
91.05482	18.9
93.07043	20.1
95.04959	4.2
95.08608	15.1
95.09177	1.5
97.06543	3.0
97.10164	4.1
99.08113	1.0
103.05443	1.0
105.07024	19.0
107.08589	10.6
109.06554	1.6
109.10152	7.5
111.08081	2.2
115.05417	1.6
117.07018	10.6
119.08571	14.6
121.10136	7.1
123.08089	1.7
123.11731	1.9
125.09627	2.6
128.06255	2.7
129.06992	11.9
130.07822	1.2
130.31186	0.7
131.08568	17.3
133.06459	0.7
133.10147	10.9
135.08075	0.9
135.11688	5.3
137.09583	1.2
141.07008	4.1
142.07759	4.0
143.08548	16.5
144.09317	1.2
145.06502	0.8
145.10117	13.3
147.08093	1.3
147.11708	5.8
149.09602	1.3
149.13310	2.1
154.07784	0.8
155.08556	10.2
156.09290	1.1
157.10143	13.0
159.07994	0.9
159.11711	9.7
161.13272	2.8
163.11140	1.0
167.08571	2.9
168.09331	1.0
169.10135	11.9
171.11670	11.0
173.09531	0.9
173.13261	6.3
175.11211	2.2
175.14833	1.5
177.12706	1.2
179.08559	1.5
181.10168	5.1
183.11710	9.9
185.13246	7.0
187.11145	1.0
187.14899	2.4
193.10139	2.4
193.12263	2.0
195.11684	5.5
197.13220	7.9
199.14813	4.4
207.11694	1.9
209.13261	4.5
211.14870	4.7
213.12775	0.8
213.16464	1.7
219.11716	0.9
221.13303	1.9
223.14803	3.5
225.16441	3.4
235.14835	1.4
237.16408	2.1
239.18071	0.9
241.19460	1.3
243.17517	1.0
249.16481	1.3
251.17984	1.8
255.17241	1.0
257.18918	1.0
259.20786	0.8
261.22198	0.8
263.17975	0.9
265.19830	0.9
269.19162	1.2
275.20126	0.9
283.20627	1.2
283.66217	0.8
287.20029	1.0
295.20898	1.2
297.22107	1.6
309.22110	1.8
311.23630	1.5
315.23178	1.8
323.23810	1.3
325.21640	1.1
335.23865	1.2
337.25159	1.0
339.23199	1.1
341.24695	1.5
353.24796	0.9
407.33560	0.9
415.28232	1.0
417.31613	6.1
421.76633	0.8
435.32605	17.0
453.33606	7.6
471.34717	3.3
473.34195	1.9
491.35251	1.8
509.36380	8.9
527.37317	100.0
528.37848	4.7
528.44592	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03934	2.1
55.01864	1.6
55.05511	13.4
57.03435	3.9
57.07070	1.7
63.69777	0.7
65.03922	1.2
66.59788	0.7
67.05504	26.8
69.03407	1.0
69.07069	11.2
71.04985	1.3
79.05495	19.0
81.03426	4.1
81.06583	1.5
81.07056	25.9
83.04967	2.5
83.08617	7.2
85.06551	1.6
91.05477	17.5
93.07043	17.4
93.16590	0.7
95.04952	5.1
95.08604	16.6
97.06538	1.6
97.10178	4.4
98.20707	1.5
103.05444	0.8
105.07027	18.4
107.04951	1.5
107.08597	11.3
109.06528	1.4
109.10152	7.3
111.08057	1.3
115.05442	1.2
117.07016	12.3
119.08581	11.6
120.66205	0.8
121.10148	6.3
123.08045	1.1
123.11704	1.0
125.09653	2.0
128.06245	3.5
129.07014	12.2
131.08562	18.0
133.06549	0.9
133.10149	8.9
135.08060	1.4
135.11687	4.2
137.09598	0.9
141.06963	3.4
142.07774	2.1
143.08559	15.9
143.09683	0.9
145.10129	14.4
147.08113	0.9
147.11678	5.5
149.09610	1.6
149.13252	2.1
153.07124	1.0
154.07788	1.2
155.08525	7.3
156.09322	1.4
157.10132	13.0
159.11681	11.1
161.09735	1.1
161.13281	1.6
163.11209	0.7
163.14790	0.7
167.08601	2.9
168.09335	1.1
169.10121	10.2
171.11685	13.8
172.12228	0.8
173.09671	1.2
173.13255	6.9
175.14824	1.2
179.08559	0.9
181.10150	4.0
182.10835	1.1
183.11671	10.7
185.13284	7.3
187.14861	3.0
189.11211	0.9
189.12892	0.9
193.10217	1.2
193.12202	1.3
195.11713	5.2
197.09773	0.8
197.13240	7.1
199.14845	4.1
201.16385	0.9
209.13228	4.3
211.14842	4.3
213.16499	1.9
221.13301	1.8
223.14828	3.6
225.16389	2.5
229.68481	0.8
233.15562	0.7
235.14792	1.5
237.16460	1.4
239.17989	1.5
249.16557	1.1
259.20554	1.9
261.24146	0.7
283.20587	1.2
295.20847	1.0
297.22208	1.0
309.22040	1.4
311.23849	1.4
315.23221	1.4
323.23718	1.4
335.22903	1.1
385.96426	0.9
407.33310	1.0
417.31738	5.8
418.31873	0.8
435.32605	18.2
453.33627	8.2
471.34857	3.8
473.34143	1.3
491.35281	2.2
509.36258	9.6
527.37335	100.0
528.37610	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.9
53.03947	1.7
55.01861	2.6
55.05266	1.3
55.05515	16.8
57.03441	4.1
57.07071	1.7
57.87245	0.8
65.03935	2.0
67.05508	34.7
69.07071	14.2
69.26508	6.5
69.26933	3.0
71.04991	2.4
71.08638	1.1
73.06583	0.9
79.05500	25.7
81.03425	3.6
81.07057	32.7
83.04993	2.7
83.08612	9.3
85.06554	2.4
91.05487	24.4
93.07046	24.6
93.07632	1.5
95.04969	6.2
95.08617	23.2
97.06537	4.8
97.10155	4.5
99.08121	1.0
103.05491	1.0
105.04559	0.8
105.07036	27.0
107.04967	1.3
107.08599	16.8
109.06538	2.2
109.10147	9.2
109.10732	0.9
111.08059	1.8
115.05449	1.8
117.07018	15.4
119.08595	20.3
121.06537	1.2
121.10148	10.4
123.08102	1.2
123.11670	1.9
125.09689	1.7
128.06227	5.3
129.07016	17.8
131.08577	26.6
133.10141	12.3
135.08022	1.2
135.11703	6.2
139.11154	1.0
141.06992	6.1
142.07774	3.8
143.08569	22.2
144.09291	0.7
145.10127	19.2
147.08072	1.6
147.11693	8.0
149.09673	1.4
149.13268	3.5
153.07018	1.8
154.07802	1.2
155.08565	14.1
156.09329	2.4
157.10124	17.8
159.08041	1.1
159.11705	15.7
161.09642	0.8
161.13261	3.9
163.11168	1.4
165.07098	1.1
165.12772	1.0
167.08601	3.8
169.10123	14.3
171.11707	16.8
173.13260	8.3
175.14783	1.3
177.12733	1.1
178.22310	0.8
179.08643	0.9
181.10110	6.5
182.10936	1.1
183.11678	13.8
185.13263	11.5
187.14821	4.3
193.10175	1.9
195.11702	5.6
197.13281	12.1
199.11319	0.9
199.14874	5.7
201.16360	1.0
207.11717	2.0
209.13336	4.6
211.14835	5.4
213.16418	3.0
215.17979	1.1
221.13293	2.7
223.14853	5.1
225.16396	3.4
235.14900	2.0
237.16425	2.6
241.19553	1.1
243.17461	1.2
247.14641	1.0
250.88565	0.9
251.18051	1.4
257.19110	1.0
259.20685	1.9
261.22089	1.0
263.90384	0.9
275.20306	0.9
277.19510	1.1
283.20627	2.5
285.22272	0.9
295.20627	1.1
297.22101	1.8
299.20050	0.9
309.22156	1.8
311.23795	1.1
313.21692	1.3
315.23132	1.8
323.23672	2.3
325.25253	1.8
327.23239	1.1
335.23843	1.8
337.25037	1.1
341.24747	1.8
353.24835	1.2
355.26270	0.9
365.24585	1.2
401.26431	0.8
407.33334	1.3
417.31625	6.4
435.32611	19.4
438.67587	1.0
453.33670	9.6
471.34952	5.7
473.33981	2.1
491.35336	1.5
509.36230	10.7
523.45172	1.0
527.37329	100.0
528.37640	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96198	1.3
53.03946	5.8
55.01876	3.0
55.05513	23.3
57.03439	6.5
61.02929	21.0
65.03936	3.2
67.05505	27.2
68.44385	1.4
69.03432	9.6
69.07066	12.1
69.97924	5.3
69.98349	2.4
71.05008	3.0
73.02908	6.6
79.05499	28.1
81.00839	1.4
81.03421	5.1
81.07059	38.5
83.04983	2.7
83.08636	7.2
85.02909	17.1
85.06531	1.8
91.03960	10.2
91.05484	48.6
93.07047	33.9
95.01324	1.8
95.04969	9.1
95.08619	21.7
97.02885	9.3
97.06534	6.3
97.10161	5.8
103.05449	2.4
103.89427	1.6
105.07036	41.7
107.04964	4.6
107.08596	14.0
109.02884	2.2
109.06506	11.7
109.10139	5.8
111.08076	5.9
115.03899	1.8
115.05473	6.5
116.06232	2.3
117.07018	25.4
119.04944	3.3
119.08583	24.8
121.06476	8.7
121.10151	7.1
123.08063	10.3
123.11681	1.5
125.09632	2.2
127.03915	3.6
128.06218	13.6
129.06993	19.2
130.07788	6.1
131.07582	2.7
131.08572	53.0
133.06511	10.1
133.10152	16.5
135.08063	6.0
135.11662	3.4
137.09579	3.0
139.11255	1.7
141.07011	7.0
142.07791	4.3
143.05719	3.8
143.08563	63.4
145.06487	3.4
145.10123	58.2
147.08043	10.8
147.11678	6.8
149.09604	5.2
149.13297	2.3
151.07544	3.3
151.11182	2.8
155.08569	5.9
156.09279	1.5
157.10130	18.4
159.08087	6.4
159.11691	17.3
161.09605	11.5
161.13280	2.4
163.11230	5.8
165.07005	2.7
167.08687	2.0
169.10123	12.0
171.08051	2.5
171.11667	14.4
173.09645	4.3
173.13290	4.6
175.11168	7.3
177.05513	1.7
177.12794	6.6
181.10103	10.7
183.11720	10.2
185.09634	2.1
185.13263	6.2
187.11124	2.5
189.12720	1.7
193.12352	1.9
195.11700	14.5
197.13367	2.0
198.15839	2.2
199.11201	3.4
199.14871	2.3
201.12772	4.1
203.12753	2.1
208.09732	1.9
209.13344	2.6
213.12675	2.4
215.12799	1.6
221.13066	1.7
227.17946	7.9
237.16383	23.2
245.18985	4.3
255.17429	23.4
273.18503	55.0
291.19470	2.8
347.22177	100.0
350.07712	1.8
365.10312	4.0
365.23166	4.6
400.95981	1.7
473.35199	1.8
483.25562	2.7
527.31372	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	527.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.0
55.01875	17.3
55.05509	29.3
56.96561	3.2
57.03435	27.9
61.02926	29.5
65.03930	4.8
67.05505	99.3
69.03429	46.4
69.07065	30.7
71.01331	6.1
71.04990	13.2
71.61517	3.9
73.02911	15.1
79.05491	65.3
81.03425	53.1
81.07059	100.0
83.04979	28.7
83.08611	15.6
85.02908	46.0
85.06528	11.2
85.56660	2.8
91.03971	15.0
91.05486	87.9
93.07048	64.0
95.04974	28.9
95.08607	33.6
97.02899	35.3
97.06519	7.2
97.10184	7.2
99.04457	12.0
101.02380	8.6
103.03963	5.6
105.07034	61.5
107.04967	20.8
107.08601	48.7
109.02869	15.3
109.06531	14.8
109.10155	70.4
111.04451	8.1
111.08099	8.5
113.05966	3.0
117.07034	14.5
119.08588	22.6
121.06506	11.5
121.10126	18.6
123.04412	7.3
123.08067	10.4
123.11714	12.5
125.09653	8.6
127.03922	23.4
128.06181	4.2
129.05478	5.2
129.07007	11.8
131.08598	22.0
133.05571	2.5
133.06493	11.7
133.10133	97.5
135.04471	3.1
135.08070	17.4
135.11679	10.5
137.05972	3.0
137.09616	6.1
141.07025	3.3
141.09125	2.3
142.07767	3.3
143.05672	4.1
143.08583	7.7
145.04935	4.7
145.06464	3.8
145.10118	11.0
147.04408	5.3
147.08054	5.0
147.11682	12.3
149.09634	19.7
151.11185	58.4
157.06541	3.6
157.10144	7.3
159.08008	6.7
159.11717	6.5
161.09624	12.1
161.13275	3.4
163.11165	5.1
167.08522	3.6
169.10045	3.5
169.12251	11.2
171.11710	5.2
173.04593	2.7
173.11723	6.1
173.13126	3.1
175.11185	11.6
175.41557	2.8
177.09138	8.9
179.10617	6.3
183.06586	3.7
185.09584	4.0
185.13297	5.1
189.12732	4.2
193.12257	10.4
195.11633	4.5
197.11699	3.6
209.11766	3.4
211.13223	6.8
213.12686	3.2
213.16396	2.9
215.12833	14.1
227.17972	3.9
233.15263	4.4
234.62086	2.6
237.16283	2.7
245.18958	6.6
251.12827	5.0
251.15239	3.3
253.14342	33.4
255.17427	2.9
263.20126	4.5
263.38062	2.8
267.15945	3.5
269.13849	9.0
271.15393	7.4
273.18515	31.9
283.15488	3.2
291.19489	22.9
299.14828	3.8
347.22269	12.7
365.23251	35.0
377.23846	3.4
450.96814	3.0
509.27719	6.9
527.27942	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
54.78328	1.5
55.01869	10.1
55.05509	29.8
57.03438	17.6
59.05011	2.2
60.39380	1.6
61.02927	14.3
64.54283	1.4
65.03932	3.0
65.16279	1.5
67.05503	42.5
69.03429	25.4
69.07068	29.0
69.45777	5.5
69.46199	9.0
70.06523	1.7
71.01353	3.4
71.04987	6.9
73.02912	8.6
79.05497	35.0
79.42009	1.6
81.03413	35.3
81.07058	34.6
83.04973	12.5
83.08607	15.3
85.02906	28.4
85.06534	3.1
87.04478	2.1
89.98146	1.4
91.03963	7.2
91.05478	28.8
93.07043	26.3
95.04961	22.7
95.08607	19.2
97.02887	24.1
97.06519	8.2
97.10162	14.3
99.04462	6.3
99.08092	1.8
101.02363	4.9
103.03934	2.7
105.07037	19.0
107.04964	13.6
107.05679	2.1
107.08593	21.1
109.02859	10.1
109.06514	6.8
109.10164	20.0
111.04434	5.7
111.08071	4.6
115.05425	2.5
117.06988	10.0
119.04927	3.6
119.08582	18.2
121.06479	5.5
121.10150	10.5
123.04501	2.5
123.08081	9.6
123.11722	2.3
125.06010	2.6
125.06909	1.7
125.09634	17.4
127.03931	16.6
128.06221	2.9
129.05495	3.0
129.06999	6.2
131.08568	11.4
133.06474	6.2
133.10143	9.2
135.08038	6.0
135.11671	2.8
137.05975	3.1
137.09641	3.1
141.06963	2.8
143.05557	2.2
143.08577	6.5
144.75055	1.8
145.05011	2.5
145.06499	3.6
145.10121	9.4
147.04401	3.9
147.08066	9.2
147.11678	7.6
149.06000	3.3
149.09615	4.1
149.13213	3.6
151.07503	3.0
153.09091	3.0
153.12695	2.3
157.10153	6.2
159.08061	3.3
159.11668	6.3
161.09662	5.2
161.13318	2.1
163.11188	4.5
165.09123	4.4
171.11641	3.4
173.09608	2.5
173.11784	4.6
175.11203	4.9
177.09082	2.5
183.06499	3.6
185.13348	2.5
189.09464	2.3
189.11203	13.6
189.12733	2.8
193.12228	8.9
201.07597	2.4
205.12286	4.6
211.13266	8.3
223.13266	17.7
227.12784	7.1
229.14273	2.1
245.18996	2.2
249.14850	4.5
255.17451	3.3
259.13266	1.9
263.20087	2.7
267.15817	3.9
273.18472	25.1
287.05273	2.3
291.19537	100.0
347.22131	6.6
365.23270	28.5
368.47147	1.9
393.18616	1.9
407.24960	2.1
509.27200	6.5
527.27838	30.2
550.25171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01874	8.5
55.05511	30.7
57.03434	17.3
61.02929	16.1
65.03926	3.2
66.81439	1.2
67.05508	40.6
69.03084	1.7
69.03432	31.3
69.07066	30.6
69.61487	11.6
71.01334	3.7
71.05000	8.6
73.02923	10.4
73.90692	1.3
79.05494	36.6
81.03417	33.7
81.06580	2.5
81.07057	42.1
83.04980	10.8
83.08617	15.0
85.02901	28.7
85.06561	2.5
91.03965	7.4
91.04900	2.1
91.05475	30.3
93.07048	28.6
95.01329	1.5
95.04972	20.1
95.08602	17.1
97.02281	2.4
97.02892	32.5
97.06513	4.8
97.10171	21.7
99.04450	5.6
101.02357	5.7
103.03931	4.1
103.05442	2.7
105.07027	23.5
107.04976	11.5
107.08598	21.4
108.77721	1.3
109.02892	9.3
109.06521	12.6
109.09545	1.6
109.10166	15.8
111.04454	6.2
111.08059	4.0
115.03925	1.8
117.07001	10.1
119.04881	1.9
119.08575	17.5
121.06478	6.9
121.10136	9.5
123.04416	1.7
123.08068	12.2
123.11644	1.6
125.09636	16.3
127.03909	14.0
128.06207	2.3
129.05475	4.0
129.07004	8.2
130.10034	1.3
131.08566	12.6
133.06470	4.2
133.10146	14.1
135.04456	1.5
135.08038	7.6
135.11732	6.8
137.05965	2.5
137.09586	6.0
142.07742	1.7
143.08586	5.5
143.10645	1.7
145.04955	3.9
145.06540	1.9
145.10114	9.6
147.08075	8.5
147.11659	4.5
149.05968	1.4
149.09583	7.3
149.13251	4.1
151.07578	2.2
151.11194	3.7
153.05432	2.0
153.09109	2.4
157.10149	4.8
159.08054	2.7
159.11691	4.1
161.05945	1.7
161.09622	5.9
163.11182	5.4
165.09093	3.5
167.07054	3.0
169.12245	2.0
171.08063	2.1
171.10178	2.5
171.11659	3.0
173.04451	3.5
173.09599	2.6
173.11809	2.4
175.11165	4.7
177.09093	1.5
177.12733	2.2
181.12189	1.6
183.06485	2.3
185.13252	2.2
187.11197	2.8
189.11203	13.9
189.12718	3.1
191.10654	2.4
193.12218	9.3
195.11606	1.6
195.13765	1.8
205.12245	2.5
208.07574	1.4
211.13300	8.6
213.12761	1.4
217.15950	1.5
223.13321	17.1
227.12794	6.9
229.14331	1.9
243.12180	2.2
245.13795	1.5
245.19078	2.6
249.14851	6.0
255.17447	2.8
257.04437	4.3
258.05093	1.5
263.19971	2.1
267.15897	2.5
273.18497	26.4
277.14301	1.5
286.05011	1.6
287.05576	1.7
291.19537	100.0
333.20486	2.1
337.16483	1.6
347.22131	9.5
365.23227	32.2
389.22873	1.6
407.24234	1.8
429.21014	1.6
435.23770	1.9
435.80411	1.7
473.25031	2.3
491.26593	2.0
509.17535	1.6
509.27466	4.4
527.11597	4.5
527.28162	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36880	0.4
59.80975	0.4
67.05492	0.5
69.03421	0.6
69.47646	1.5
69.48079	2.1
71.04963	0.5
79.05489	0.5
81.03413	0.9
81.07046	1.3
85.02884	0.5
86.09727	0.5
87.82043	0.4
91.05460	1.0
93.06992	0.7
97.02918	0.4
97.06564	0.5
105.07018	0.8
107.08613	0.5
119.08569	0.5
121.10127	0.6
122.33854	0.4
127.03945	0.5
133.10094	0.7
137.06035	0.4
144.97121	0.5
153.05544	0.5
167.07097	0.7
177.05406	0.6
185.04219	0.5
227.05350	0.8
251.14784	0.5
261.18274	0.7
279.19318	3.5
309.29822	0.5
423.23660	2.9
441.24554	7.5
441.30234	0.7
465.24609	5.2
471.13885	0.4
483.25674	19.2
484.26166	0.7
509.23615	23.8
510.24438	0.5
527.24646	100.0
528.25238	2.4
530.30878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.2
55.01872	19.7
55.05512	29.4
56.96550	2.7
57.03442	29.1
57.07066	2.7
59.05008	3.0
61.02930	29.1
65.03922	7.3
66.52477	2.1
67.05505	89.7
69.03430	36.7
69.07063	23.3
71.01340	7.2
71.05013	13.5
71.60948	2.5
71.61338	4.8
73.02930	15.6
76.72686	2.6
79.05495	58.2
81.03419	43.3
81.07059	100.0
83.04981	27.0
83.08617	14.2
85.02913	46.1
85.06542	9.6
87.04476	5.2
91.03948	17.9
91.05482	94.2
93.07046	63.1
95.04972	25.1
95.08614	33.9
97.02896	31.6
97.06540	15.6
97.10150	4.6
99.04447	13.5
99.08112	6.0
101.02360	6.3
103.03933	4.6
105.07035	70.5
107.04955	19.6
107.08600	56.0
109.02876	15.3
109.06541	13.2
109.10155	63.9
109.10905	2.6
111.04431	6.9
111.08104	5.5
113.06013	3.6
115.05462	4.8
117.07030	15.6
119.04971	2.8
119.08591	17.9
119.86148	2.3
121.06500	10.8
121.10128	20.2
123.04413	4.4
123.08060	10.1
123.11710	13.8
125.09628	6.1
127.03920	23.9
127.07547	4.1
128.06236	2.7
129.05484	6.4
129.06999	11.2
131.04932	3.6
131.08585	24.0
133.06491	10.3
133.10133	97.6
135.08070	15.5
135.11681	8.7
137.09608	3.5
139.07565	3.0
141.07089	2.9
143.08531	7.8
145.04967	7.1
145.10141	15.2
147.08034	4.5
147.11719	8.5
149.09639	18.2
151.11188	63.1
155.08586	5.2
157.10080	11.4
159.08057	7.5
159.11719	4.2
161.09647	12.0
161.13214	3.1
163.07436	3.3
163.11163	4.9
165.09131	2.2
165.12711	2.9
169.12241	15.6
171.11681	7.0
173.04457	3.1
173.09727	2.7
173.11723	2.7
173.13257	4.2
175.11198	6.7
177.09122	10.8
179.10669	7.3
183.06548	6.6
183.11607	3.3
185.09625	2.7
185.13255	3.6
187.57796	2.4
189.12698	5.6
189.71289	2.1
193.12292	4.5
199.11369	2.6
201.07703	3.2
209.11670	2.4
211.13211	3.3
215.12732	12.4
233.15331	3.1
245.19138	2.8
250.18875	2.5
250.32094	2.4
251.12964	4.3
253.14336	39.8
263.20050	4.8
269.13852	8.0
271.15381	4.9
273.18506	28.4
285.16907	3.3
291.19650	19.1
299.14627	2.4
323.14938	3.2
347.22009	12.1
365.23267	40.0
452.10123	2.9
491.26498	3.4
527.28668	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
65.25515	0.3
67.05492	0.6
69.03423	0.9
69.07066	0.7
70.86565	1.0
79.05463	0.5
81.03434	0.5
81.07060	1.0
85.02893	0.5
86.09721	0.4
91.05487	1.2
93.07024	0.5
95.04969	0.7
95.08609	0.8
97.02888	0.6
109.06533	0.6
109.10149	0.6
119.08565	0.5
127.03913	0.4
133.10175	0.4
137.05965	0.4
138.90135	0.3
143.05649	0.6
145.02899	0.4
145.10031	0.3
155.08807	0.3
159.07945	0.3
167.07120	0.5
177.05533	0.7
185.04233	0.5
191.92572	0.3
207.06624	0.5
227.05324	0.6
228.32603	0.3
261.18365	0.7
279.19409	3.7
289.05560	0.4
303.92670	0.3
307.18903	0.3
321.19684	0.4
342.93155	0.4
423.23578	2.1
441.24680	7.0
465.24707	5.9
475.05020	0.3
483.25677	18.9
509.23608	25.0
510.24112	1.0
527.24646	100.0
528.24957	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	527.1733
Annotation	Pityriarubin A
Peak:m/z	Relative Intensity
55.05520	0.4
55.52699	0.4
56.96553	0.5
57.03420	0.4
61.02898	0.4
69.03429	1.3
70.06586	1.3
71.00043	0.4
71.00394	0.9
72.04501	0.6
72.08159	0.5
73.02917	0.4
74.87791	0.4
81.03417	1.0
81.07056	0.5
85.02908	1.9
86.03224	0.3
86.09701	0.6
91.05481	0.9
95.04970	0.6
97.02890	1.1
98.97598	0.6
99.04426	0.6
109.02875	0.6
110.07162	0.5
111.04415	0.5
119.04976	0.9
123.04424	0.5
127.03926	0.8
136.07536	0.7
137.05981	0.5
143.05627	10.6
145.02864	1.3
147.04454	1.8
152.07050	0.6
159.06268	1.9
163.03963	1.0
163.07529	0.4
167.03217	0.6
167.07024	0.9
168.82443	0.4
170.07973	0.4
175.03912	0.8
177.05539	2.0
187.11211	0.5
207.06543	1.4
233.46617	0.4
261.93179	0.4
303.10461	0.9
303.19867	0.4
311.05316	0.4
335.74280	0.4
347.12430	0.6
391.10077	1.1
527.17346	100.0
528.17700	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	527.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
55.01868	2.0
57.03444	3.3
59.21815	1.6
61.17091	1.5
67.05494	3.3
69.03427	13.4
69.23232	1.8
70.06584	5.9
71.04988	5.4
73.02927	2.3
79.05486	2.7
81.03432	11.1
81.07050	2.3
83.04984	2.5
84.08133	2.1
85.02913	9.2
86.09706	2.9
87.06715	2.9
91.05484	4.1
95.04971	3.1
95.08609	2.1
97.02906	4.4
98.97607	2.2
99.04459	23.6
103.03930	8.7
104.29881	1.8
107.08579	2.0
109.02872	7.2
116.07142	1.7
117.05477	6.1
117.07063	1.9
119.04913	2.5
121.02913	2.1
123.04513	2.7
126.05600	1.8
126.39375	1.6
127.03934	13.4
133.07620	5.6
137.06013	2.6
143.05641	41.2
145.07582	17.9
147.09172	2.3
149.09599	2.1
161.05904	2.0
161.07091	6.3
163.08675	7.7
167.07043	3.7
171.05490	2.5
173.07117	4.9
175.03770	1.7
175.08693	6.4
177.05354	2.3
189.06590	19.7
191.08159	4.0
197.10622	2.3
201.10304	3.6
205.09776	1.9
207.07669	69.6
213.10265	2.4
214.06128	6.1
216.56573	1.7
229.09648	3.3
231.11324	2.4
232.07130	9.5
240.95930	1.7
241.09750	2.2
243.11246	4.2
245.12869	2.1
259.10831	1.9
261.08493	2.0
261.12280	5.6
269.09259	5.4
277.11853	5.1
278.12430	2.0
279.13409	4.7
287.05255	2.3
287.10220	6.6
301.07391	1.7
305.08337	2.4
305.11179	11.8
322.13779	2.4
323.12350	26.3
330.10629	10.3
348.11902	56.8
362.13232	1.8
365.13611	2.5
372.12094	3.0
387.15485	3.4
405.16617	6.7
430.16174	4.0
431.14639	3.5
441.12033	2.5
448.17126	4.0
449.15472	3.1
467.16653	4.6
474.15094	15.2
492.16129	43.3
510.17236	100.0
527.17499	6.7
527.24390	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	526.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.3
57.03430	14.5
57.80486	6.3
67.05492	41.0
69.07065	30.0
71.04974	10.7
71.60170	11.1
79.05492	18.6
81.07049	34.2
83.08633	20.1
91.05499	19.3
93.07035	29.3
95.04964	6.8
95.08607	29.3
97.06522	7.0
97.10177	16.0
102.99420	6.4
105.07051	20.3
107.08614	18.7
109.10118	15.4
116.98626	7.6
119.04974	18.9
119.08582	14.2
121.10150	14.5
125.09624	9.6
133.10149	8.8
135.11668	16.2
137.20651	6.8
142.07373	6.8
145.10089	7.9
147.04402	100.0
149.02356	9.3
149.35948	7.4
154.83751	6.6
163.11177	7.7
165.05577	8.3
173.11771	8.3
196.80774	6.4
227.12856	10.2
235.20503	11.3
237.07526	12.3
271.36465	6.6
327.25296	64.5
382.99527	6.3
527.27966	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	526.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26412	1.4
55.01862	1.7
60.92029	1.4
61.02933	1.7
67.05501	2.0
69.03427	4.0
69.63087	4.1
69.63515	7.6
70.06589	7.1
79.05492	2.9
81.03438	2.1
84.08146	4.1
85.02894	9.7
86.09705	4.6
87.04502	1.4
90.62032	1.4
91.05485	13.0
93.07032	2.4
94.06573	2.1
95.04976	4.7
97.02882	3.2
98.09706	2.0
105.07032	3.2
107.04955	3.1
109.02850	2.5
113.04739	1.5
119.04941	8.9
120.08133	2.3
121.02895	2.1
121.06510	7.1
121.10196	2.9
122.03612	2.1
123.04483	7.3
127.03963	1.9
129.06998	9.5
131.04948	2.9
135.04395	4.3
136.06198	2.1
137.05978	63.3
138.05507	2.0
143.05690	10.3
144.04044	1.5
144.61566	1.4
145.02911	1.7
147.04449	8.1
147.08015	2.6
149.06003	16.4
150.06715	1.7
151.04007	1.8
151.07538	33.7
151.08652	2.7
157.06517	4.0
161.05977	4.7
163.03841	1.7
163.07553	8.6
165.07007	3.1
167.07034	3.3
167.08466	1.6
175.03903	1.9
175.07552	21.8
177.05464	3.7
177.22325	1.4
181.08586	2.1
184.82379	1.5
189.09114	2.3
193.04874	1.8
193.06558	1.8
193.08533	2.1
193.10127	3.2
195.08105	4.2
207.06432	2.1
209.08037	1.9
210.06947	1.5
210.08936	1.5
211.07571	3.5
213.09167	4.7
221.06059	4.2
221.09715	4.4
223.07697	2.8
225.08957	2.1
227.10521	2.3
239.07079	4.6
239.10791	1.7
241.08594	5.5
249.09196	2.2
253.08620	4.8
253.12306	4.9
258.08871	2.9
271.09595	14.3
272.46933	1.6
273.11194	9.5
281.11761	3.3
295.06024	3.0
299.05545	8.3
299.12784	24.2
309.07608	2.6
317.13831	100.0
321.07867	2.2
325.07077	4.4
329.06516	10.9
337.07303	2.8
353.06613	2.0
383.07693	2.4
391.08072	2.9
399.03958	2.5
403.02866	1.8
413.09094	2.2
441.04956	3.3
457.60910	2.0
505.06467	2.0
508.15826	2.4
526.16028	14.1
526.23096	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26412	1.4
55.01862	1.7
60.92029	1.4
61.02933	1.7
67.05501	2.0
69.03427	4.0
69.63087	4.1
69.63515	7.6
70.06589	7.1
79.05492	2.9
81.03438	2.1
84.08146	4.1
85.02894	9.7
86.09705	4.6
87.04502	1.4
90.62032	1.4
91.05485	13.0
93.07032	2.4
94.06573	2.1
95.04976	4.7
97.02882	3.2
98.09706	2.0
105.07032	3.2
107.04955	3.1
109.02850	2.5
113.04739	1.5
119.04941	8.9
120.08133	2.3
121.02895	2.1
121.06510	7.1
121.10196	2.9
122.03612	2.1
123.04483	7.3
127.03963	1.9
129.06998	9.5
131.04948	2.9
135.04395	4.3
136.06198	2.1
137.05978	63.3
138.05507	2.0
143.05690	10.3
144.04044	1.5
144.61566	1.4
145.02911	1.7
147.04449	8.1
147.08015	2.6
149.06003	16.4
150.06715	1.7
151.04007	1.8
151.07538	33.7
151.08652	2.7
157.06517	4.0
161.05977	4.7
163.03841	1.7
163.07553	8.6
165.07007	3.1
167.07034	3.3
167.08466	1.6
175.03903	1.9
175.07552	21.8
177.05464	3.7
177.22325	1.4
181.08586	2.1
184.82379	1.5
189.09114	2.3
193.04874	1.8
193.06558	1.8
193.08533	2.1
193.10127	3.2
195.08105	4.2
207.06432	2.1
209.08037	1.9
210.06947	1.5
210.08936	1.5
211.07571	3.5
213.09167	4.7
221.06059	4.2
221.09715	4.4
223.07697	2.8
225.08957	2.1
227.10521	2.3
239.07079	4.6
239.10791	1.7
241.08594	5.5
249.09196	2.2
253.08620	4.8
253.12306	4.9
258.08871	2.9
271.09595	14.3
272.46933	1.6
273.11194	9.5
281.11761	3.3
295.06024	3.0
299.05545	8.3
299.12784	24.2
309.07608	2.6
317.13831	100.0
321.07867	2.2
325.07077	4.4
329.06516	10.9
337.07303	2.8
353.06613	2.0
383.07693	2.4
391.08072	2.9
399.03958	2.5
403.02866	1.8
413.09094	2.2
441.04956	3.3
457.60910	2.0
505.06467	2.0
508.15826	2.4
526.16028	14.1
526.23096	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17103	0.6
59.97148	0.6
69.07065	2.3
87.59305	0.6
91.05499	3.3
94.06558	4.4
98.20805	1.4
110.06036	0.7
112.07656	0.6
120.04467	1.3
120.08052	0.7
122.06033	6.7
138.05484	0.8
140.07083	9.2
143.05646	12.5
144.04372	1.2
144.05960	2.2
146.06021	2.8
147.06801	1.1
154.08630	0.8
166.04993	1.1
172.03978	5.5
173.04785	0.8
174.05481	4.8
176.07047	1.4
176.38112	0.8
190.04971	4.1
203.61314	0.7
204.06592	5.3
206.08138	2.7
208.09779	0.9
209.10803	1.5
211.08629	0.9
211.12271	1.0
212.09436	2.3
222.07986	1.1
223.12337	2.3
224.09491	1.9
225.10277	8.7
234.09242	1.2
235.08633	4.0
236.09448	5.0
237.10225	18.7
238.11034	2.2
239.11789	3.7
240.09012	0.9
249.10199	3.6
250.11125	3.2
251.08224	1.5
251.11801	18.2
252.08940	3.4
252.12567	1.6
253.09718	6.3
253.13339	1.3
254.10333	1.0
255.11311	4.7
257.12650	0.7
261.12555	1.6
263.11688	1.6
264.08978	1.6
265.09735	23.8
266.10391	3.9
267.11304	16.0
275.03754	1.4
278.06586	1.9
279.11240	22.1
280.12073	2.0
281.12726	3.1
282.10037	1.1
283.10837	3.9
284.11533	0.7
285.12354	2.3
291.11411	1.4
293.09232	20.4
293.12296	0.7
294.10001	5.3
295.10757	18.2
297.12344	6.2
307.10840	6.8
309.12357	5.1
310.13043	0.8
311.10260	2.4
312.11240	3.2
313.11795	19.9
324.10876	1.2
325.11804	27.9
326.12268	1.0
331.12851	2.1
335.10278	16.8
337.11877	1.9
345.14453	2.6
353.11319	100.0
354.11935	2.8
355.12912	3.3
364.08456	1.0
371.12399	1.3
385.09402	1.1
385.13986	14.9
387.15482	1.6
452.18048	2.2
453.18878	1.0
466.19821	4.0
476.18185	1.8
491.73199	0.7
494.19223	55.8
495.19122	1.1
526.21759	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	526.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33351	1.1
55.05505	1.4
67.05477	1.2
69.07064	3.3
69.73308	4.2
69.73707	3.1
70.06586	1.3
73.23759	1.2
81.07057	1.2
84.84978	1.2
85.02895	2.0
91.05487	2.9
93.07040	1.3
94.06553	5.8
95.08589	1.5
112.07613	1.4
112.28988	1.0
116.04973	1.2
116.74362	1.3
117.06921	1.0
119.04916	1.4
119.95601	1.0
120.04404	1.8
120.85880	1.3
122.06045	8.8
124.07614	1.1
137.31094	1.1
138.05467	1.4
140.07056	11.7
143.05658	2.8
146.06018	2.9
164.07175	1.7
167.07108	1.7
172.03935	6.4
174.05527	4.5
177.05528	1.7
190.04927	4.2
204.06557	6.7
206.08076	1.9
207.06543	1.6
209.10687	1.9
210.15028	1.2
215.07001	1.3
223.08360	1.3
223.12291	2.0
225.10213	5.8
234.35835	1.0
235.08696	4.6
236.09293	5.8
237.10258	18.0
238.11073	1.9
239.11734	1.9
243.11310	1.9
244.45390	1.3
245.72937	1.3
248.09688	1.1
249.10248	5.0
250.11035	4.9
251.08037	1.2
251.11792	22.3
252.09004	4.4
252.12630	2.2
253.09769	6.2
255.11281	3.2
261.12350	2.0
263.11835	2.0
264.08981	1.5
265.09708	23.2
265.12329	1.9
266.10510	4.7
267.11279	14.7
267.57291	1.2
278.06665	2.5
279.11261	24.3
280.12112	2.9
281.12912	2.0
282.10458	1.8
283.10681	3.8
285.12341	3.1
293.09201	23.4
294.10007	5.0
295.10797	21.1
295.14102	1.4
297.12283	7.0
307.10886	8.1
309.12170	6.2
311.10251	2.9
312.11127	3.7
313.11832	18.9
324.11044	1.4
325.11807	32.4
326.12402	1.3
331.12805	2.9
335.10233	15.8
337.11743	1.5
345.14407	3.3
353.11322	100.0
354.11911	3.1
355.12775	3.4
371.12155	1.4
385.13953	14.1
452.17841	2.5
466.19751	2.0
476.18033	2.3
494.19260	49.9
526.21704	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	526.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
53.79288	0.3
55.01863	0.4
57.03429	0.9
61.02920	0.7
63.29514	0.3
65.03933	3.2
67.05495	0.4
69.03435	2.3
70.06582	1.2
70.86176	0.6
71.05016	0.4
72.08138	0.4
72.16906	0.3
73.02895	0.5
74.00641	0.5
74.57458	0.3
78.10200	0.3
79.05482	0.7
80.53753	0.3
81.03406	1.5
81.07054	0.9
83.04974	0.3
84.08118	0.8
85.02908	6.5
86.09665	0.3
87.04457	0.3
88.03990	0.9
91.05479	100.0
92.05804	0.8
93.07053	1.0
93.83541	0.3
95.04947	0.4
96.08068	0.3
97.02885	2.8
99.04438	0.5
105.07027	0.6
105.78209	0.3
107.08538	0.4
108.08106	0.8
109.02879	0.8
109.06532	0.5
110.06062	0.4
111.04452	0.5
117.07004	0.4
119.04958	0.7
120.01154	1.1
121.02862	0.3
121.06503	0.9
121.10119	1.7
122.02734	1.1
123.04435	0.5
123.11727	0.4
127.03928	1.1
136.07701	0.4
137.05974	4.6
138.05511	0.5
141.00008	1.7
141.01791	0.4
141.98685	0.6
143.05635	2.0
145.02831	0.6
145.04933	0.8
147.04445	0.8
149.02347	0.4
149.06003	0.8
149.09601	0.5
151.07547	2.2
157.06616	0.4
166.98041	0.4
167.01656	1.5
167.07011	0.3
167.10712	1.0
168.39784	0.4
168.99547	1.9
175.07561	1.1
175.88698	0.4
177.05562	0.8
183.01151	1.6
184.99042	12.0
192.01154	1.1
193.06567	0.7
193.08487	0.4
195.01085	0.6
207.06567	0.7
209.08147	0.4
210.02281	1.1
211.07602	0.6
213.09132	0.4
216.02399	0.7
229.03163	1.0
231.04720	2.1
241.08699	0.7
253.08624	0.7
256.02747	7.1
257.02707	1.5
271.09692	1.2
273.11118	0.4
275.03665	2.1
299.12863	1.2
312.08026	0.3
317.13840	7.1
320.09613	0.3
325.07214	0.3
346.07352	3.3
347.05954	0.8
364.08475	19.8
442.09265	0.5
475.41669	0.4
526.15167	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.6
55.05502	5.9
57.07071	2.6
59.33622	1.8
61.02917	3.4
61.68454	1.7
65.03941	4.1
67.05506	14.0
69.03429	5.5
69.07063	17.1
70.06586	3.2
71.04990	4.2
73.02899	2.3
79.05486	10.1
81.03417	3.2
81.07055	44.6
83.04964	2.2
83.08621	5.8
84.08144	3.3
85.02900	12.4
85.06547	17.3
86.09717	2.5
91.05479	100.0
91.35806	2.1
93.07042	17.5
95.04972	5.5
95.08606	36.0
97.02910	4.5
97.06575	2.8
97.10161	4.1
98.20698	3.2
99.04431	2.4
99.08090	12.7
103.05477	2.5
105.07059	6.2
107.04965	2.7
107.08587	20.7
109.02912	4.6
109.06528	3.0
109.10163	18.3
111.08064	4.7
111.11715	5.5
113.09634	2.7
119.04947	4.2
119.08573	6.8
121.06475	3.6
121.10121	15.9
122.05980	2.2
123.11720	12.1
125.09676	2.6
127.03954	3.6
128.06219	2.2
131.04947	2.9
131.08556	4.5
135.11690	6.5
137.05994	7.1
137.13264	6.1
138.98492	6.2
139.11154	1.8
143.05646	9.3
145.10129	2.7
147.04507	2.1
147.11703	3.3
149.09676	2.4
149.13242	11.2
153.05472	2.5
154.08623	3.8
161.06058	2.3
161.13297	2.9
162.09169	8.0
163.03955	3.4
163.14833	5.3
165.05519	2.5
167.07043	3.2
168.99635	3.1
169.01204	1.7
175.03922	3.6
175.07533	2.4
177.05458	4.8
177.16386	8.5
180.10231	7.5
184.99034	4.7
191.03453	3.2
191.06793	2.1
193.04994	4.1
195.17458	6.1
199.02365	3.7
207.06479	5.3
208.09677	14.4
213.18500	20.0
235.20651	2.5
241.09763	2.7
243.11176	2.7
256.02811	4.0
257.02646	5.2
264.79324	2.0
273.25793	2.9
275.03769	6.8
279.26761	2.4
285.03864	2.1
287.10257	21.3
289.05435	3.1
291.26770	10.1
297.27954	4.1
309.27792	16.9
309.98883	2.0
327.29010	10.0
345.09796	8.6
345.13626	2.1
347.05835	11.4
352.10303	2.8
353.11243	3.1
363.06952	3.0
363.10904	5.6
364.08481	12.8
367.12726	3.7
368.13123	5.5
375.08755	2.6
405.10031	2.9
479.11353	1.9
494.18948	11.2
507.12799	3.1
507.19519	3.3
512.20642	2.2
525.13690	4.1
525.23108	10.3
525.34167	3.3
526.21545	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	525.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01868	0.2
60.05649	0.2
63.04179	0.2
67.05482	0.3
69.03416	0.4
69.42511	1.6
70.06577	0.6
71.04992	0.2
73.50608	0.2
79.05492	0.2
81.03408	0.6
85.02888	0.8
86.09683	0.3
87.06720	3.8
91.05515	1.0
93.07048	0.5
97.02895	0.3
105.07067	0.9
107.08582	0.4
109.02842	0.3
113.04596	0.2
119.08585	0.7
122.06048	0.2
123.81447	0.2
127.03954	0.3
133.10147	0.4
136.07642	0.3
137.05986	0.7
141.04088	0.8
143.05650	100.0
144.06038	0.3
145.10110	0.5
147.04420	0.4
147.11716	0.5
149.09679	0.3
151.03973	0.2
161.09644	0.2
164.07127	0.3
175.03938	0.3
175.11224	0.8
185.06721	0.3
192.31885	0.2
207.06531	0.4
221.11794	0.2
264.07986	0.2
293.09424	0.3
295.10980	0.3
304.05518	0.3
305.11121	0.3
353.11435	0.5
355.11923	0.2
385.14246	0.2
494.19250	0.3
525.22192	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	525.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01873	2.9
55.05518	16.4
56.73402	2.0
57.03432	3.5
57.07067	2.7
59.05008	3.9
67.05508	20.6
68.99784	7.6
69.03433	12.8
69.07074	14.8
69.42788	4.7
69.43196	15.6
71.04989	8.7
73.02930	3.6
79.05491	22.3
81.03424	12.4
81.07055	31.1
83.04995	11.4
83.08601	5.5
85.02908	15.1
85.06564	5.6
87.00818	2.8
89.03907	3.8
90.03349	2.2
91.05479	27.7
91.46019	2.1
93.07050	27.7
95.04961	11.9
95.08613	24.6
97.02889	8.3
97.06529	3.9
97.10137	2.4
103.05455	4.4
105.07040	28.5
107.04966	10.7
107.08601	28.8
109.02847	4.1
109.06506	11.0
109.10170	23.9
111.08077	7.7
113.09640	7.7
115.05453	2.5
117.03359	4.5
117.07024	5.4
118.92034	2.2
119.04918	3.3
119.08583	31.5
121.06509	11.6
121.10143	26.4
122.07256	4.1
123.08104	6.5
123.11705	11.6
125.09626	7.8
127.03915	6.8
129.06993	4.5
131.04939	9.1
131.08560	12.5
132.05692	9.3
133.06480	4.4
133.10132	51.0
134.03616	3.0
135.08052	4.8
135.11716	15.7
137.05984	4.5
137.09624	31.9
139.00249	5.5
139.11137	5.9
141.06950	2.3
143.08603	3.9
145.10109	11.6
147.08037	6.2
147.11685	10.9
149.05946	9.7
149.09642	7.8
149.13248	6.4
151.03876	3.4
151.11179	18.5
153.05502	3.0
157.10202	4.7
159.08005	2.7
159.11693	7.2
160.05188	3.8
161.05978	4.1
161.09613	7.0
161.13243	6.1
163.03993	2.9
163.11197	3.6
167.03465	3.2
167.07068	7.7
171.11792	3.7
173.09628	2.7
173.13223	2.4
175.03915	2.8
175.11169	6.1
175.14859	22.3
177.05444	3.5
177.12677	2.5
178.02618	3.4
185.13298	5.7
189.12645	4.8
191.07031	3.2
191.10756	2.9
191.14232	2.8
192.07787	9.5
193.12273	5.3
199.14809	2.8
201.16327	5.3
203.14348	11.4
216.04366	2.3
217.15825	3.8
241.19380	4.0
244.03625	5.1
259.20544	33.0
272.03159	13.1
277.21646	100.0
287.05511	75.1
288.05878	4.7
315.05005	88.7
316.05402	5.5
363.21756	3.4
367.22556	2.9
507.29938	4.5
525.13965	29.4
525.30048	6.6
526.14124	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	525.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00327	0.2
53.02824	0.2
53.03945	0.4
55.05506	0.2
57.03439	0.3
67.05499	0.5
68.99796	0.3
69.03433	1.8
69.07069	0.4
71.01337	0.2
71.12234	0.4
73.02913	0.2
79.05503	0.4
81.07066	1.3
83.04951	0.3
85.02898	1.5
85.06536	0.2
89.03918	0.4
91.05474	1.1
93.07058	0.7
95.01318	0.3
95.04964	0.5
95.08610	0.6
97.02909	0.3
97.10201	0.2
101.46706	0.2
103.05478	0.6
105.07021	1.0
107.04978	1.0
107.08597	0.6
109.02875	1.0
109.10159	0.5
111.00776	0.3
113.01593	0.2
115.05473	0.4
115.74627	0.2
117.03402	0.7
117.06997	0.4
119.04978	0.4
119.08600	0.7
121.06527	0.4
121.10130	0.4
122.06021	0.2
123.00806	0.3
123.04430	0.2
123.11714	0.4
125.02348	1.7
125.85075	0.2
129.07016	0.3
131.04951	1.3
131.08577	0.6
132.05763	1.0
133.06479	0.3
133.10126	0.4
134.03630	1.4
135.04408	2.3
135.08075	0.2
137.02332	1.1
137.05966	0.4
137.13310	0.3
139.03888	0.2
141.01880	0.3
143.05650	1.0
145.10147	0.6
147.04414	0.7
147.11707	0.4
148.05215	0.3
149.05963	0.4
151.03845	0.2
153.01826	11.0
154.02206	0.3
157.06451	0.2
157.35580	0.2
159.11658	0.3
160.05202	1.1
161.02356	0.5
161.06000	0.5
163.03886	0.5
163.07573	0.3
165.05498	0.3
167.07065	0.8
169.04761	0.2
171.02896	4.0
171.04314	0.3
175.03943	0.5
175.07634	0.2
177.05466	0.8
178.02505	0.3
179.07031	0.5
180.07896	0.6
181.01358	0.4
184.77832	0.2
185.06026	0.7
188.04704	0.5
191.07045	1.0
192.07755	1.0
193.08583	0.2
195.04465	0.4
199.03918	0.3
201.05450	0.3
203.03406	0.3
203.07010	0.4
207.06537	0.2
213.05469	0.9
216.04170	8.2
223.03947	0.9
231.06592	0.6
233.85861	0.2
239.03380	0.2
241.04967	0.6
243.02901	0.4
244.03667	4.7
245.06348	0.3
257.18991	0.6
259.06030	0.8
259.16766	0.4
269.04395	0.7
272.03131	0.5
277.17709	0.3
287.05493	59.6
288.05829	1.3
289.05316	0.3
301.07056	0.6
309.27893	0.3
315.04968	100.0
316.05347	2.1
317.06750	0.4
318.14807	0.2
349.23737	0.7
409.77191	0.2
439.22894	0.2
475.10364	1.8
481.24112	1.2
489.11676	0.4
495.12759	2.7
507.13507	0.4
507.21802	0.7
525.23096	6.1
525.30554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
54.12586	3.7
55.05512	12.4
57.03428	13.0
67.05503	100.0
69.07055	12.4
69.67068	26.9
74.98016	4.2
79.05497	21.0
81.07053	44.8
83.08617	8.6
85.06518	5.2
87.04459	3.8
91.05467	12.0
93.07063	31.6
94.94851	4.2
95.08599	33.6
98.21495	4.9
99.08095	4.1
99.75024	3.5
105.07040	9.5
107.08604	16.8
109.10158	73.9
113.97281	3.3
117.06973	4.8
119.08575	12.0
121.10138	11.4
133.10162	7.4
135.11697	9.2
139.89101	3.8
149.13303	4.9
173.11749	23.7
229.14359	75.6
243.21074	7.4
261.22192	15.3
335.25797	94.4
489.35675	46.2
524.60339	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	525.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
56.64898	0.2
57.03431	0.2
57.21637	0.2
59.00689	0.2
65.03933	0.2
67.05492	0.4
67.49380	0.2
68.99821	0.3
69.03433	2.2
69.07072	0.3
70.42525	0.5
70.42924	0.4
78.04694	0.3
79.05493	0.5
81.07037	0.6
85.02906	1.1
89.03915	0.2
91.05496	1.1
93.07033	0.5
95.01315	0.3
95.04967	0.4
95.08611	0.6
103.05470	0.6
105.07008	0.6
107.04968	1.0
107.08556	0.3
109.02895	1.1
109.06480	0.2
109.10128	0.4
115.05466	0.3
117.03384	0.8
117.07030	0.2
119.04943	0.4
119.08557	0.4
121.06467	0.3
121.10139	0.3
123.00804	0.3
123.08104	0.2
125.02328	1.9
127.03914	0.3
129.07027	0.6
131.04918	1.0
131.08537	0.4
132.05707	0.7
133.10138	0.4
134.03658	1.4
135.04398	2.0
137.02348	1.2
137.05980	0.3
139.05380	0.2
141.01762	0.2
143.05687	1.3
145.10094	0.5
147.04451	0.5
147.11606	0.2
149.06050	0.2
153.01831	10.3
157.06496	0.3
159.11726	0.3
160.05173	1.0
161.02339	0.4
161.05986	0.7
163.03934	0.3
163.07481	0.2
165.05518	0.5
167.04892	0.3
167.07071	0.8
170.03600	0.3
171.02899	3.6
171.04300	0.4
171.11736	0.2
175.03932	0.3
175.07565	0.3
177.05452	0.5
178.02618	0.4
179.07039	0.5
180.07843	0.6
181.01256	0.4
183.04308	0.3
185.02504	0.2
185.05969	0.6
187.03935	0.3
188.04666	0.7
191.07005	1.1
192.07787	0.8
193.08640	0.2
195.04422	0.3
199.02345	0.3
203.06999	0.4
209.08101	0.3
213.05428	1.4
216.04189	8.3
223.03923	0.8
231.06561	0.7
241.04913	0.6
243.02893	0.5
244.03682	4.5
251.03484	0.4
257.19098	0.4
259.06094	0.7
269.04364	1.0
272.03262	0.3
277.17792	0.3
287.05499	62.9
288.06000	0.9
289.05273	0.4
301.06982	0.7
313.11282	0.2
315.04974	100.0
316.05322	2.0
317.06528	0.4
339.13470	0.3
340.13602	0.4
349.23773	0.6
368.13217	0.5
385.30756	0.2
439.22839	0.4
475.10327	1.7
481.24011	1.1
489.11981	0.4
493.21802	0.4
495.12888	2.8
507.12793	0.6
507.21774	0.7
525.23071	3.7
525.30316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05505	0.9
56.05028	1.6
57.03439	0.7
57.07079	3.1
58.06599	1.3
60.08165	16.5
65.33489	0.4
67.05492	1.4
67.69669	0.4
69.07051	0.9
71.07367	5.6
71.08641	2.3
76.17979	0.4
79.05479	0.5
81.03414	1.0
81.07052	1.6
83.08604	0.7
85.10172	1.5
86.09705	49.0
87.73939	0.3
88.45033	0.4
95.08606	1.5
96.08894	0.4
97.10147	0.4
98.98474	3.6
104.10742	100.0
107.08609	0.5
109.10156	0.9
119.08559	0.4
125.00006	25.9
143.01080	0.4
163.01553	0.7
184.07341	96.6
193.12102	0.5
221.52036	0.4
250.42596	0.4
258.10974	0.9
268.16385	0.7
289.30759	0.4
314.27463	0.8
341.30524	1.7
447.28619	0.4
506.35992	10.1
524.37109	29.9
525.37024	0.9
553.18372	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.3
55.01859	1.1
57.03443	1.0
65.03959	1.1
66.04719	0.7
67.05505	1.0
69.03413	0.6
70.28703	0.5
71.13191	1.3
75.04501	1.7
78.04732	1.0
79.05499	6.0
81.07067	0.8
82.20752	0.5
85.02882	1.1
87.17757	0.5
89.03905	1.1
90.04695	0.8
91.05479	7.5
93.03397	4.5
93.07037	3.2
95.04984	3.1
97.06556	0.9
98.97551	0.6
103.05469	8.2
105.07030	15.6
106.04176	8.3
107.04977	3.6
108.05753	0.9
109.02888	1.5
109.06516	1.8
115.05459	0.7
117.03428	0.5
118.04161	18.0
119.04962	2.6
120.05742	1.5
121.06506	13.4
122.07318	1.4
123.08144	0.7
124.05211	7.9
125.06006	3.0
131.04941	2.8
132.05693	1.5
133.06490	25.2
134.03635	1.7
134.07300	1.7
135.04399	2.9
135.08081	4.5
137.05969	4.2
137.09544	0.6
139.07555	1.0
143.05618	1.0
145.02907	0.8
146.03661	0.7
147.04396	0.8
148.05186	1.3
149.05983	20.6
150.06766	9.5
151.03897	0.6
151.07541	4.7
153.05470	0.7
153.09108	4.8
159.04402	0.8
160.05186	0.7
161.05972	5.7
162.01419	1.2
163.03934	2.3
163.07549	2.3
165.09109	13.1
166.06290	0.6
167.07066	3.9
175.07573	0.7
177.05481	13.7
178.06203	1.0
179.07057	0.8
180.07878	0.8
181.08600	11.3
191.07008	3.7
192.07922	1.4
193.08607	100.0
195.06570	1.2
207.08925	0.7
209.08090	71.2
210.08443	0.5
212.22899	0.5
214.68074	0.6
222.36084	0.5
223.04292	8.1
279.11255	0.9
345.00922	0.5
353.13910	1.0
385.16574	0.6
524.20599	1.1
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
55.05503	18.5
57.07076	44.6
65.03885	3.4
67.05499	40.0
69.07076	19.4
71.05001	5.0
71.08625	32.8
75.97659	3.6
79.05482	17.0
81.06576	6.3
81.07048	97.0
83.04958	4.6
83.08620	25.2
85.06524	8.1
85.10172	14.8
91.05473	20.5
93.07028	11.8
95.08598	39.1
97.10155	7.0
98.21513	10.3
105.07024	34.4
107.08565	7.6
109.10133	13.5
119.08578	25.9
121.10115	15.7
123.08058	3.8
123.11703	26.0
133.10081	3.8
137.13249	4.7
147.11674	60.6
165.12743	34.8
229.14413	5.2
239.23627	9.3
267.15906	41.6
276.55872	3.9
479.50974	4.1
523.40082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01857	1.9
55.06920	0.7
57.03419	1.5
65.03942	1.3
69.03413	1.0
71.12870	1.5
75.04478	1.9
77.12617	0.6
78.04680	1.7
78.51084	0.6
79.05485	5.5
81.03387	0.7
81.07028	1.7
85.02898	1.6
89.03928	0.7
90.04684	0.8
91.05490	9.7
93.03416	6.0
93.07043	3.5
94.04198	0.6
95.04942	3.3
97.06542	1.7
103.05467	8.0
104.06233	1.1
105.07034	14.9
106.04170	10.4
107.04949	5.4
107.08614	1.3
108.05712	0.8
109.02870	1.2
109.06516	2.8
115.05451	1.4
118.04171	18.1
119.04925	1.9
120.05725	2.3
121.06506	14.8
122.07258	2.0
123.04409	1.1
123.08085	0.9
124.05219	9.7
125.05987	3.1
131.04892	3.5
132.05676	0.9
133.06493	26.5
134.03616	2.3
134.07295	2.5
135.04440	3.5
135.08083	3.9
137.05956	4.6
147.04376	1.3
148.05193	1.6
149.05986	20.9
149.24448	0.7
150.06786	10.8
151.07544	3.5
153.09070	5.2
161.05988	6.2
163.03918	2.1
163.07562	1.7
165.09134	16.0
167.07082	4.5
177.05476	15.7
181.08609	8.8
191.07016	4.3
192.07748	1.1
193.08611	100.0
195.06483	1.3
209.08096	74.8
223.04251	8.3
237.10114	1.2
249.10184	0.9
251.11723	1.7
253.09673	2.5
265.09766	4.0
267.11536	0.8
278.10614	0.9
279.11349	3.1
291.29733	0.7
293.09229	0.9
293.12720	1.1
295.10947	1.3
309.12360	1.0
312.11160	1.5
325.11816	2.1
327.13458	8.3
335.10342	0.7
339.13400	16.6
353.11270	1.6
367.12863	15.0
385.16867	1.0
399.15387	1.9
445.35855	0.7
492.21381	16.3
524.23877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74746	4.8
55.01883	9.0
55.05506	21.5
57.03427	20.1
57.07077	55.7
57.22186	5.0
59.41135	4.8
60.43229	5.0
64.09695	5.4
67.05505	47.9
69.03446	4.9
69.07056	20.6
70.66778	12.7
70.67104	6.8
71.05003	7.9
71.08633	48.0
79.05490	20.3
81.03416	100.0
81.07050	49.7
81.55393	5.6
83.04969	6.9
83.08624	42.1
85.10181	22.9
88.32204	5.0
91.05477	32.6
93.07041	20.5
95.04977	29.3
95.08612	46.3
97.10141	8.9
105.07024	20.6
107.04960	9.2
107.08594	11.4
109.10156	27.2
111.08085	12.9
119.08575	20.7
121.10133	8.3
122.88818	5.5
123.11704	7.8
127.12453	5.3
129.07031	10.2
131.08583	14.6
133.06606	5.8
133.10139	12.3
135.01382	6.2
144.99896	5.5
147.11728	10.8
149.09641	7.6
150.04138	5.7
157.10124	13.3
175.11227	16.4
188.19814	5.4
193.12231	89.3
211.13341	29.8
239.23857	7.0
241.18839	5.6
249.14967	7.0
267.15906	75.1
313.27307	94.9
319.96075	5.7
373.32181	5.9
470.85751	5.7
505.38910	59.4
523.25616	94.6
523.40094	55.2
524.25897	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01866	2.3
55.05509	16.5
56.41997	0.9
57.03434	7.6
57.07076	45.5
59.05001	1.7
60.48350	0.8
65.03947	1.7
67.05505	34.7
69.03436	2.9
69.07069	14.3
69.34199	5.1
69.34623	3.0
71.04995	5.0
71.08631	35.2
79.05058	1.4
79.05497	19.0
81.03418	47.5
81.07053	36.6
83.04977	7.7
83.08617	30.8
85.02902	24.0
85.06543	1.7
85.10183	16.3
89.84080	0.7
91.05477	24.7
93.07048	11.8
95.04970	18.8
95.08604	31.3
97.02911	1.9
97.06547	2.6
97.10168	8.6
98.20686	1.5
99.08084	1.6
99.11728	1.4
105.07025	17.1
105.13853	0.8
107.04932	2.6
107.08599	4.8
109.06528	2.9
109.10159	14.9
111.04442	2.4
111.08059	7.8
111.11725	1.2
113.06038	2.4
115.05452	1.1
119.08574	15.0
121.06553	1.0
121.10149	7.1
123.08076	1.3
123.11685	6.4
125.05933	0.9
125.09621	1.0
125.13225	1.0
129.06999	8.0
131.08574	7.5
133.06482	1.9
133.10104	5.4
137.09596	1.7
137.13264	2.0
142.07777	3.6
145.10150	1.1
147.08070	3.4
147.11699	11.7
149.09605	7.0
151.11186	1.1
153.48508	0.7
157.10130	9.8
165.12788	2.5
173.64328	0.9
175.11194	11.5
190.68080	0.9
193.12236	47.5
211.13283	50.7
212.13689	0.8
239.23689	7.7
241.59114	0.8
267.15918	8.1
285.02161	0.9
285.16763	1.0
313.27368	7.2
505.38910	1.9
523.39941	100.0
524.40057	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81960	2.1
52.56777	1.9
53.03942	3.3
55.05510	14.9
57.03432	6.8
57.07076	40.7
63.71177	1.7
67.05505	24.1
68.80088	1.7
69.03412	1.8
69.07064	13.0
70.66779	4.6
71.04975	3.8
71.08633	26.8
79.05492	13.2
81.03421	39.8
81.07056	32.6
83.04966	7.4
83.08623	23.1
85.02906	22.7
85.10179	16.0
91.05481	16.7
93.07027	11.3
95.04970	17.8
95.08613	26.1
97.06538	2.9
97.10168	6.0
105.07040	11.3
107.04961	3.6
107.08598	4.5
109.06527	3.5
109.10181	13.8
111.08100	7.5
119.08582	11.3
121.10143	5.4
123.11724	6.0
127.67094	1.7
129.07016	5.4
131.08583	7.5
133.10159	4.4
147.11700	7.6
149.09692	2.6
157.10114	6.9
162.00165	1.6
165.12776	2.9
175.11188	11.5
187.05791	1.7
193.12241	39.1
193.13861	3.0
202.57301	1.8
211.13304	47.7
239.23700	9.0
267.15942	3.7
270.57285	1.8
313.27399	5.3
523.24518	31.6
523.39948	100.0
524.24780	4.4
544.66321	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79136	2.6
53.03934	7.5
55.01867	6.5
55.05512	87.2
57.03436	18.8
57.07081	13.0
60.95103	2.6
65.03931	2.8
67.05507	92.4
69.03419	9.7
69.07068	27.3
69.58481	2.3
71.04989	4.1
71.08624	7.1
71.12477	3.6
71.12803	2.8
79.05057	4.3
79.05494	60.2
81.03419	5.5
81.07058	100.0
83.04982	4.6
83.08621	53.9
91.05490	31.0
93.07043	61.1
95.04962	14.1
95.08612	60.4
97.06528	5.0
97.10173	82.8
101.07957	2.5
105.07025	25.5
107.08594	54.7
109.06514	3.6
109.10151	35.3
110.91185	2.4
111.08112	5.5
117.07032	11.5
119.08592	19.1
121.10152	27.6
122.87290	2.8
123.11738	14.5
125.09638	72.0
126.71449	2.5
131.08574	17.2
133.10117	13.8
135.08035	8.7
135.11702	21.4
137.13229	6.0
145.10156	12.6
147.11687	11.5
149.09714	2.6
149.13242	12.5
153.09096	4.1
157.10156	3.6
159.11676	12.9
161.13258	6.8
163.14764	7.2
171.10170	7.1
172.95236	2.9
173.13235	11.6
177.16573	2.6
187.14774	4.7
189.11226	73.7
189.12949	3.5
190.96060	2.5
193.12370	2.4
196.99120	2.2
201.16397	2.4
227.12782	77.4
233.22681	2.9
243.21143	16.1
245.13847	96.4
246.14088	2.5
254.59167	2.7
261.22113	58.7
267.15961	4.9
279.23178	9.3
292.77768	3.0
313.27194	3.7
317.24796	14.6
335.21997	4.7
335.25812	67.2
336.25937	4.8
413.30438	4.7
431.31525	8.0
487.33942	9.9
505.35065	23.8
523.39734	7.6
544.77869	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
54.37248	2.8
55.01865	7.6
55.05514	83.9
57.03453	19.6
57.07068	11.4
65.03947	3.3
67.05508	100.0
69.03419	10.1
69.07069	24.3
71.04991	3.8
71.08633	7.5
71.60129	3.2
71.60480	4.1
79.05494	66.4
79.12054	3.2
81.03430	17.7
81.07063	97.9
83.04987	6.6
83.08626	53.9
85.06532	5.2
85.10165	3.2
91.05480	29.7
93.07043	66.0
93.12598	3.4
95.04987	11.7
95.08609	72.2
97.06542	3.8
97.10169	89.5
102.55827	3.2
105.07050	21.4
107.08597	59.8
109.06528	3.0
109.10157	35.5
117.07010	8.8
119.08588	16.3
121.10132	32.3
123.11685	14.0
125.09627	78.8
129.07071	3.7
131.08553	19.5
133.10124	11.5
135.08041	7.5
135.11708	23.9
137.13275	5.0
143.10703	4.9
145.10130	13.8
147.11690	12.2
149.13226	17.4
153.09094	5.5
159.11684	10.6
161.13278	12.0
163.11244	4.3
163.14818	9.2
165.12814	3.4
171.10162	7.2
173.13268	8.8
175.14824	7.2
187.14778	6.0
189.11223	70.9
193.12245	8.2
227.12781	71.3
229.14165	5.0
243.21101	14.9
245.13864	84.4
261.22147	77.2
267.15924	15.3
279.23303	6.5
313.27405	17.6
317.24664	14.5
335.25754	70.9
431.31598	6.6
487.34277	9.8
505.34549	31.6
523.24487	17.1
523.38544	7.3
534.47534	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	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.69751	0.5
55.05505	3.6
56.05034	1.0
57.03429	0.7
58.06603	1.5
60.07881	1.1
60.08164	16.8
67.05510	3.7
69.07063	3.3
69.98280	3.1
71.07380	8.3
71.08629	0.7
79.05495	1.5
81.07053	2.9
83.08620	1.7
86.09708	48.5
91.05463	0.7
93.07047	1.7
95.08619	2.6
97.06536	0.7
98.98471	3.7
104.10746	95.2
104.90337	0.7
107.08625	1.0
109.10133	1.3
121.10143	1.3
125.00008	28.5
133.78069	0.5
154.94189	0.7
163.01465	0.6
172.95235	1.6
184.07344	100.0
190.96284	0.8
209.11804	0.7
246.98965	0.6
258.11115	1.0
339.28943	1.8
504.34439	9.1
522.35522	26.8
523.35565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	11.1
57.03390	5.1
67.05497	29.0
69.03437	9.5
69.07059	25.6
70.06579	10.3
71.12904	13.8
79.05470	18.2
81.07055	69.5
83.04990	5.9
83.08594	12.5
85.02898	12.7
85.06535	16.4
91.05479	21.6
93.07037	30.8
95.04986	11.5
95.08605	56.5
97.02854	9.0
97.06590	6.3
97.10179	6.8
99.08088	17.1
105.06999	21.6
107.08592	21.9
109.10152	34.8
119.08591	18.0
121.06470	9.2
121.10173	28.0
123.11703	13.0
127.11195	6.8
131.08571	5.9
133.10168	8.9
135.11670	20.8
137.06000	19.2
143.05652	11.2
147.04346	7.0
147.11707	18.3
149.13275	13.4
153.05496	7.9
159.11610	10.0
161.05960	6.4
161.13287	9.1
163.14815	6.2
167.07062	13.1
168.48213	5.5
176.24995	5.2
177.05519	9.6
177.16350	20.6
181.06723	6.5
195.17468	13.3
213.18410	15.3
238.42282	6.6
271.06076	54.3
272.06339	61.4
273.06589	100.0
274.06827	59.0
275.07059	32.3
289.25089	8.2
307.26340	27.0
390.93509	5.9
523.18945	6.0
523.32178	9.8
524.20111	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	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	1.8
55.01877	3.4
55.05514	12.4
57.03433	1.4
57.07078	24.6
61.24497	0.8
65.03938	1.4
67.05505	28.7
69.03453	1.5
69.07069	11.4
70.64618	2.2
71.05001	2.6
71.08630	20.7
71.09001	1.5
72.71533	0.8
73.02933	1.2
79.05489	21.4
81.03439	3.0
81.07058	31.2
83.05001	3.0
83.08620	10.2
85.02902	0.9
85.06577	1.4
85.10187	9.5
91.05472	9.2
93.07043	27.3
95.04974	7.3
95.08607	40.5
97.02915	2.8
97.06557	3.0
97.10184	4.6
99.04482	3.1
99.08089	1.5
105.07056	6.5
107.04953	8.2
107.08592	23.3
109.06532	1.7
109.10155	14.7
111.04485	1.8
111.08096	1.6
111.11716	0.9
117.07011	6.7
118.22969	0.7
119.08583	10.0
121.06517	4.1
121.10148	10.5
123.11754	2.2
125.06020	3.0
127.07563	0.8
130.07828	2.1
131.08606	1.7
133.10168	3.3
135.08090	1.8
135.11688	36.3
135.12695	1.8
137.13264	1.0
139.07553	1.3
143.08572	0.8
145.10127	22.9
147.11827	0.7
149.09689	0.9
163.11183	50.2
169.27682	0.7
173.09676	1.3
173.11728	1.5
181.12254	11.5
181.13745	1.2
209.11847	3.4
210.14478	0.8
227.12784	100.0
228.13239	1.2
229.14462	1.0
239.23828	2.9
275.20102	1.9
293.21106	7.4
349.23807	0.9
354.21921	0.9
500.94266	0.9
503.37030	0.9
521.38538	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.21
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01323	0.9
55.01859	1.4
67.05499	1.4
69.03429	3.4
70.06591	1.9
71.60779	1.0
76.01553	0.9
79.05509	0.9
81.03420	1.1
81.07066	1.7
85.02902	3.7
86.09713	1.3
91.05482	2.5
92.05894	0.9
92.27699	1.0
97.02880	1.9
99.04521	1.3
103.05460	1.0
104.97184	0.8
105.06990	2.2
109.02874	0.9
110.11090	0.9
116.01646	1.1
117.03391	2.5
119.04916	1.3
119.08556	1.0
121.10123	1.2
127.03913	1.7
128.46291	0.8
130.19937	1.0
131.04936	1.3
135.04370	0.9
137.05988	9.9
138.06750	1.6
143.05704	1.5
147.04424	3.5
149.05986	1.3
150.06682	0.9
151.03973	1.7
151.07581	1.2
161.05971	10.4
161.09627	2.8
162.06783	3.8
163.07509	2.0
165.07063	2.5
166.07846	1.2
167.07082	1.0
167.08617	1.1
169.06534	1.0
174.06770	2.2
175.03917	2.2
175.07558	1.1
177.05479	1.3
177.07083	1.4
178.07799	2.6
179.08505	1.6
181.10312	1.0
182.07297	1.7
183.08087	1.8
189.09055	4.5
191.08542	2.2
192.09180	0.9
193.10190	1.3
194.07253	1.5
194.37450	0.9
195.08049	3.3
203.08641	2.0
205.06580	2.4
206.07294	2.2
207.06444	2.4
207.08195	1.8
207.10115	9.3
208.08911	1.0
208.10809	1.1
209.09627	1.3
210.06830	1.5
211.07463	2.0
212.08270	1.6
219.08084	2.2
220.08774	3.4
220.77298	1.0
221.05994	2.6
221.09570	4.8
222.06714	1.9
223.07579	5.8
224.08267	1.5
225.09100	4.9
227.10841	1.4
233.05972	1.8
234.06776	2.9
235.07570	2.6
236.16544	1.5
237.09111	4.5
238.09811	5.0
239.07133	1.6
240.07864	3.1
248.08345	4.1
249.09117	2.7
250.06157	1.5
251.07043	4.1
252.07719	1.7
253.08649	8.2
253.10947	1.0
253.12265	1.3
254.09222	1.3
254.17543	1.7
255.10196	2.5
263.10593	1.1
265.08627	6.5
266.09393	9.8
267.06509	1.7
267.10092	2.4
268.07361	3.1
270.08701	1.3
277.08667	1.3
279.06729	1.1
279.10040	1.1
280.07455	1.2
280.11029	1.0
281.08115	5.9
281.11783	3.1
282.12396	1.2
283.09637	7.8
285.11264	1.2
286.11984	2.8
287.05643	1.4
288.05933	2.3
291.10168	1.3
293.08109	0.9
293.11588	1.3
294.08762	2.1
295.09912	1.2
297.11346	3.9
298.12036	4.6
299.12759	2.5
309.11221	3.8
310.12009	12.2
311.12790	6.1
326.11319	1.1
327.12305	46.5
328.21255	1.3
329.13867	3.5
330.14618	10.8
341.13821	3.6
342.14639	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36983	1.8
53.03939	3.1
54.50740	2.2
55.01865	11.4
55.05510	20.2
56.96561	5.4
57.03434	8.5
57.07070	3.4
59.05002	2.9
61.02928	4.2
62.57993	2.0
67.05505	100.0
69.03427	5.9
69.07071	19.0
70.06598	7.1
71.04993	7.5
73.02918	2.0
79.05496	30.5
80.05840	1.9
81.03430	5.1
81.07061	45.1
83.05005	4.7
83.08628	14.2
85.02924	3.0
85.06527	4.5
91.05473	25.9
93.07056	28.0
95.04965	8.4
95.08601	26.3
97.02880	4.5
97.06536	16.3
97.10178	7.4
98.20756	3.5
105.07029	23.6
107.04966	10.1
107.08591	25.4
109.06520	7.7
109.10160	60.6
111.08076	6.3
117.07024	8.3
119.08582	24.1
121.06519	2.8
121.10172	12.2
123.08072	3.8
123.11722	3.7
125.09642	7.7
129.07089	4.5
131.08585	12.2
133.10129	17.0
135.08022	4.8
135.11699	7.1
137.09589	6.4
143.08582	6.1
145.10133	16.7
147.08031	2.8
147.11713	12.5
149.09610	15.5
149.13278	3.9
151.11182	2.7
157.10155	4.2
159.11676	6.8
161.01353	2.1
161.13289	6.9
163.11198	7.8
165.12793	2.0
167.39447	2.1
171.11644	3.3
173.11760	17.6
173.13182	4.9
175.11215	4.0
187.11253	2.5
189.11229	4.5
227.12650	9.6
229.07571	4.0
229.14313	40.9
239.18050	3.2
247.20569	2.9
257.19006	7.5
275.20074	50.8
277.21713	2.5
292.13568	2.5
293.21191	7.3
331.16135	2.5
336.26199	3.2
349.16925	5.5
349.23752	22.8
350.24139	2.5
367.18011	10.0
374.15851	3.5
407.27908	2.7
423.27420	4.4
485.31952	2.2
503.33688	22.8
521.29535	7.0
521.34900	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	521.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.6
55.05514	20.5
56.92108	5.6
56.96556	11.0
57.03418	8.5
59.04989	10.0
67.05499	26.0
69.03429	26.1
69.07080	41.3
70.06576	10.0
71.04993	15.9
71.60556	9.3
73.02928	6.6
79.05496	24.2
81.03416	32.4
81.07063	100.0
82.07395	8.8
83.04979	9.3
83.08644	8.3
84.08145	7.2
85.02902	27.5
85.06535	16.0
91.05490	38.8
93.07046	81.1
95.04969	26.3
95.08614	58.1
97.02893	17.6
97.06528	15.8
97.10197	7.5
99.04447	7.7
103.05452	10.6
105.07029	52.0
106.07327	6.9
107.08584	48.2
109.02892	11.2
109.06510	8.5
109.10159	34.0
110.03186	5.6
111.08058	12.0
116.62821	6.0
117.07008	8.9
119.04934	14.2
119.08558	31.6
121.06508	12.2
121.10160	40.9
123.08104	12.2
123.11716	44.0
125.09641	25.1
127.03939	17.4
127.07545	6.4
129.05510	8.5
129.06981	8.9
131.04929	14.7
131.08598	9.7
133.10138	41.0
134.10475	14.2
135.11743	16.5
137.05988	75.1
137.09665	8.2
139.01321	6.7
139.11208	9.5
143.05675	35.4
143.10696	21.1
144.11040	12.4
145.02859	13.5
145.05016	7.4
145.10136	19.5
147.04414	11.0
147.11711	25.1
149.09650	7.9
149.13304	13.0
151.03958	7.8
151.07559	9.5
159.11749	11.5
161.05983	17.5
161.13220	13.3
167.07025	27.6
167.16232	6.2
173.13272	9.7
175.03894	9.8
175.07541	10.5
177.05504	32.7
177.16373	7.9
181.08626	8.1
187.14832	7.1
189.09126	8.9
202.16743	8.7
207.06573	16.6
219.17320	6.8
220.17796	12.9
271.06058	31.5
271.25101	5.9
272.06375	23.1
273.06540	38.0
280.14780	5.6
287.23810	12.0
293.24527	6.9
305.24759	38.5
305.27753	5.8
323.25854	19.3
329.06592	7.8
339.12137	7.4
379.15286	6.8
503.24518	8.8
521.19403	11.4
521.32550	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	521.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
53.40176	1.6
55.01863	3.6
55.05515	11.3
56.05026	1.5
57.03436	3.4
57.07084	9.5
59.04994	2.6
61.02916	2.1
65.03920	1.9
67.05180	2.1
67.05507	31.1
69.03431	8.5
69.06795	1.7
69.07074	19.2
69.73090	5.6
69.73493	4.1
70.06593	3.7
71.04998	4.2
72.08158	3.0
79.05492	18.9
81.03391	4.9
81.06592	3.3
81.07060	62.5
83.04992	9.5
83.08623	5.9
84.08157	2.3
85.02911	11.1
85.06546	100.0
86.09701	2.2
87.04453	1.5
91.05474	17.3
93.06486	2.8
93.07048	44.2
94.04226	2.3
95.04972	6.9
95.08611	51.5
97.02886	5.4
97.06523	6.2
97.10191	3.8
98.20738	2.1
99.08080	5.1
103.05463	3.3
105.07041	29.4
107.08598	32.8
109.06516	4.7
109.10162	39.5
111.04446	1.7
111.08082	3.9
111.11714	3.2
113.09625	5.2
115.07626	1.8
117.07011	4.5
119.04947	1.6
119.08576	29.4
121.06521	3.9
121.10149	28.8
121.11010	1.8
122.03614	1.9
123.08024	2.8
123.11721	12.8
125.09624	10.4
127.03970	1.8
127.11208	3.3
129.05482	3.6
131.04953	2.2
131.08586	10.9
132.20001	1.6
133.10120	23.9
135.08060	2.0
135.11690	26.9
137.05980	40.1
137.09610	6.9
137.13249	6.3
138.06311	1.8
139.11214	8.3
143.05658	2.5
143.08595	3.3
143.10706	3.2
145.02837	2.0
145.10132	11.7
147.11693	16.0
149.09557	2.6
149.13289	15.6
151.03891	3.2
151.07552	2.2
151.11185	3.1
151.14871	2.1
153.12749	3.9
155.10678	3.3
157.10129	6.3
157.12222	8.8
159.11711	14.8
161.13263	9.3
163.07411	1.9
163.11151	3.0
163.14821	7.1
165.12727	8.3
167.07016	3.1
170.30052	1.5
171.11694	2.5
173.13295	5.0
175.14806	6.7
177.05457	4.2
177.12755	2.4
177.16383	6.9
179.05409	1.8
181.04935	2.2
187.14827	8.8
189.16385	9.9
191.17923	1.7
193.15889	5.8
199.14729	3.8
201.16432	4.0
203.17932	4.8
207.06602	2.7
207.17366	2.8
211.16963	13.4
213.16388	9.6
217.19502	1.7
221.19029	2.0
227.18051	2.1
229.17859	2.9
231.17252	1.9
257.22498	2.4
267.59677	1.9
269.22647	8.1
275.23663	9.0
283.09540	1.9
287.05612	2.6
287.23663	14.5
293.24777	9.6
305.24817	17.3
311.25928	2.0
323.25793	16.5
341.14584	1.7
341.26855	10.7
359.27933	11.5
503.20319	3.1
521.21704	2.1
543.39789	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3399
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05505	1.4
56.05027	1.4
57.03446	0.6
58.06610	1.1
60.08165	17.6
67.05504	3.1
69.07064	1.7
70.85405	0.8
70.85735	0.6
71.07027	0.7
71.07378	6.8
75.45893	0.4
78.81058	0.3
79.05492	1.5
81.07050	2.9
83.08608	0.5
85.69494	0.3
86.09708	52.2
91.05502	0.7
93.07066	0.7
95.08614	2.2
95.24684	0.3
95.42057	0.3
98.98471	4.0
104.10744	100.0
105.07040	0.6
105.11111	0.4
107.03314	0.4
107.08622	0.7
109.10136	0.6
119.08596	0.4
125.00008	27.9
133.10124	0.4
147.11629	0.4
163.01622	0.6
174.30930	0.4
184.07343	98.6
232.69148	0.4
258.11105	1.5
337.27386	1.1
347.28055	0.4
350.04254	0.5
502.32898	9.1
520.33984	26.4
538.33490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50623	0.1
55.05508	0.2
56.05026	0.4
56.96556	0.1
57.03424	0.2
58.06356	0.2
58.06636	0.4
59.07391	0.2
60.08160	6.2
67.05507	0.6
69.07057	0.4
70.73929	0.3
71.07373	3.0
79.05493	0.3
81.07058	0.7
81.07443	0.1
86.09700	31.4
91.05478	0.2
93.07030	0.2
95.08599	0.5
97.10240	0.1
98.98465	3.5
98.99118	0.2
104.10735	3.1
104.11406	0.2
105.07043	0.1
106.09543	0.1
109.10155	0.3
124.99995	21.8
135.11665	0.1
135.90349	0.1
142.58382	0.1
143.01060	0.3
163.01514	0.2
166.02655	0.1
184.07329	100.0
185.07735	0.3
258.11002	0.1
333.02936	0.1
337.27194	0.2
394.23676	0.1
502.32761	1.1
520.33862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17310	0.4
55.01857	1.0
59.32904	0.5
61.02908	0.9
63.96191	0.5
67.05488	1.3
68.39722	0.5
69.03402	1.5
69.07047	1.5
70.06564	1.6
70.63311	0.5
71.61041	1.0
72.08127	0.8
73.89474	0.7
81.03405	0.9
81.07017	1.4
83.04959	0.6
84.08116	0.9
85.02882	1.9
91.05429	1.4
93.07031	0.7
94.06548	1.0
95.01321	3.1
95.04955	0.7
97.02859	1.9
101.02392	0.6
104.04976	0.8
105.05747	0.6
105.07016	1.2
107.04970	0.7
109.02829	0.6
111.04470	0.6
117.03340	0.6
119.04909	1.8
121.06486	0.7
122.06030	2.7
123.04420	1.1
124.07616	0.6
127.03873	1.8
129.05458	1.4
131.04918	1.0
137.02229	0.7
137.06004	3.5
140.07077	6.8
142.08623	1.0
143.05617	1.4
144.04477	0.5
145.02803	1.5
146.06009	16.6
147.04404	1.4
147.07935	0.6
151.03897	1.3
154.08630	1.0
158.05978	3.2
160.03937	0.9
161.05911	0.5
162.05431	0.7
163.03928	0.7
163.07559	0.9
167.07053	1.0
170.05997	1.6
172.03911	3.0
172.07529	1.3
173.04697	1.5
174.05518	4.8
175.03770	0.5
176.07072	1.1
177.05434	2.9
178.05896	0.5
179.07068	0.6
181.04863	0.6
184.03897	1.0
184.07538	1.6
186.05515	7.0
188.07043	3.1
190.04939	1.5
191.05728	5.0
192.06544	0.8
198.05464	1.8
199.06216	0.6
200.07079	1.2
200.28322	0.6
202.04941	0.9
204.06599	6.1
206.08197	2.4
207.06512	0.9
210.05449	1.5
211.06192	0.6
212.03418	1.5
212.06995	3.3
212.93027	0.6
213.04054	0.6
214.04982	50.4
215.05374	0.8
216.06554	1.6
226.05081	0.9
228.06532	2.3
230.04465	12.8
231.04938	0.6
232.06032	3.1
238.04933	0.9
240.06575	3.6
242.04492	5.2
243.05298	1.0
244.06033	2.3
250.45695	0.6
254.04443	1.6
256.02295	1.0
256.06104	4.6
258.03885	1.1
258.07605	1.2
260.05579	1.6
266.04559	1.0
268.06000	3.8
270.03964	35.0
272.05530	15.0
274.07211	0.6
278.05862	0.6
282.04028	1.5
284.05475	2.9
286.07181	1.8
288.04953	1.2
294.03967	1.2
295.25049	0.6
302.06714	1.4
312.04971	16.2
313.11829	12.0
330.06070	80.9
331.06598	0.8
331.12842	4.6
336.07132	0.7
344.07639	0.9
345.14374	3.4
348.07114	24.2
362.08685	100.0
363.09067	1.4
363.15527	0.8
380.09735	17.5
471.14151	1.1
489.15045	17.1
521.17487	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01875	3.3
55.05518	13.8
57.07055	4.3
61.02923	2.8
62.00816	1.9
63.71394	2.1
67.05176	2.1
67.05494	10.6
67.32265	1.8
69.03426	13.7
69.07072	10.7
70.06602	3.0
71.04990	28.9
73.06532	4.8
75.40228	1.8
79.05493	11.6
81.03407	8.5
81.07057	35.1
83.04975	4.9
83.08604	8.4
85.02908	19.0
86.09689	3.4
87.00816	7.4
91.05474	19.5
93.07050	39.1
95.04965	7.1
95.08607	41.3
97.02892	12.3
97.06512	6.5
97.10161	4.7
98.82863	2.3
99.04463	2.4
99.08076	5.9
103.05465	3.0
105.01881	5.5
105.07033	39.8
107.08593	31.8
109.02888	6.1
109.06540	4.6
109.10139	20.3
111.08080	3.0
115.05437	2.4
117.07027	4.0
119.04914	3.7
119.08580	16.5
121.10149	31.2
123.08038	3.8
123.11680	6.1
125.09635	23.1
127.03951	12.5
127.11224	2.6
131.04965	3.3
131.08578	10.6
133.10133	55.2
135.11711	7.8
137.05986	20.6
138.06306	5.5
139.11165	2.3
143.05626	7.0
143.08629	3.3
143.10680	33.3
145.02859	4.0
145.10118	17.4
147.11691	18.6
149.13255	30.0
151.11180	5.1
153.01752	2.6
157.10062	3.3
159.02835	2.4
159.11697	14.3
161.05940	2.0
161.13263	8.4
163.11121	4.4
167.07040	7.3
167.14314	100.0
169.12299	2.5
173.13368	2.6
176.82025	2.4
177.05486	6.0
179.07076	3.0
201.16415	17.6
204.07446	2.4
207.06563	2.8
219.17427	47.9
230.15347	3.3
237.18510	12.6
256.36624	2.3
271.06085	13.5
272.06351	21.9
273.06558	3.4
292.19104	7.0
415.05698	2.5
468.53906	2.4
520.20984	4.6
520.32568	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	520.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01862	3.4
55.05513	13.9
56.96550	2.7
57.03409	2.3
57.07074	2.4
58.45267	2.2
61.02918	5.0
65.03915	3.2
67.05504	13.6
68.99757	2.0
69.03426	11.7
69.07066	12.8
71.04991	38.0
71.60177	3.4
73.02919	1.9
73.06522	3.3
79.05492	16.0
81.03403	8.0
81.07057	37.2
83.04967	4.7
83.08624	6.2
85.02911	19.7
87.00800	5.5
91.05475	20.0
93.07045	37.4
95.04958	4.8
95.08053	2.6
95.08607	38.9
97.02897	10.4
97.06503	5.6
97.10149	4.0
99.04455	4.3
99.08063	5.3
105.01853	4.9
105.06380	3.5
105.07035	42.6
107.08589	32.9
109.02863	7.5
109.06525	4.8
109.10174	18.6
109.95867	1.8
111.08091	2.3
117.06996	2.5
119.04946	2.3
119.08579	15.3
120.08147	2.4
121.06532	3.3
121.10140	28.3
123.04394	2.1
123.11684	6.9
125.09633	28.4
127.03913	12.7
127.07563	1.9
127.11167	5.5
129.05449	3.3
131.08566	7.9
133.10130	58.2
134.58655	1.9
135.11678	6.6
137.05991	21.0
137.09593	3.8
138.06306	6.0
139.11194	2.4
143.05620	5.9
143.10674	33.9
145.02861	2.7
145.04985	2.3
145.10120	17.2
147.04472	2.7
147.11665	19.8
149.09662	2.2
149.13252	28.9
151.11188	4.4
157.10175	3.2
159.02844	2.3
159.11693	14.0
161.13229	6.9
163.11200	2.7
165.12714	3.2
167.06975	5.1
167.14313	100.0
169.12268	3.9
175.14775	2.0
177.05396	5.9
177.16408	2.3
178.05794	3.6
191.18044	2.5
201.16438	14.9
204.17015	2.1
207.06444	3.2
219.17447	48.6
230.15460	2.8
237.18468	8.4
244.73073	1.9
271.05972	18.3
272.06403	23.5
292.19003	7.8
520.33008	11.5
534.94604	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
53.70700	1.4
55.05517	1.6
57.03434	1.6
58.99580	1.4
65.86082	1.5
69.03429	10.4
69.22469	1.5
70.06582	4.1
70.16399	6.9
71.04993	19.4
73.02912	2.8
79.05486	2.5
81.03421	8.1
83.01380	1.4
83.04977	4.7
84.04543	1.7
85.02908	14.6
86.09687	2.5
89.06034	100.0
91.05492	12.3
95.04982	2.2
97.02889	35.3
97.06544	1.9
99.04465	4.6
105.07060	3.3
107.04953	2.6
109.02872	9.8
111.04439	4.1
117.03400	2.0
117.05486	2.2
117.89781	1.7
119.04967	17.3
123.04414	2.3
127.03921	12.6
127.99725	1.4
128.27402	1.4
133.06494	2.4
135.06512	12.1
136.07591	1.9
137.05995	5.3
140.06982	1.7
143.05643	3.7
145.02884	2.5
145.04970	11.2
145.06305	2.1
147.04417	19.8
149.02307	1.7
149.05969	3.3
151.03973	2.3
161.05992	3.7
167.07062	6.5
173.06055	3.2
175.03911	31.4
177.05463	6.3
179.07045	2.1
192.04117	8.3
193.08630	4.2
197.08144	2.6
207.06529	96.0
215.09187	2.6
225.07576	40.6
231.06630	1.5
239.07079	2.1
249.07643	3.0
261.09683	4.1
271.06027	4.5
271.09613	4.2
272.06400	5.9
315.08566	3.2
351.15375	3.9
381.08939	1.7
385.60651	2.1
506.67850	1.7
520.19476	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	520.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73824	0.4
56.05046	0.5
65.03938	0.5
69.03077	0.8
69.03427	9.2
69.24210	0.5
69.75919	0.9
69.76325	2.0
70.06584	1.1
71.04974	0.5
72.08142	0.5
81.03394	0.4
84.08145	0.7
85.02885	1.6
89.03910	4.3
89.06046	0.7
91.05476	4.5
95.04958	1.9
97.02872	1.3
103.05475	0.6
105.07055	0.5
107.04945	0.8
109.02892	0.7
117.03376	15.6
119.04934	6.1
123.04434	9.6
127.03912	3.7
134.03610	0.6
135.04376	0.9
136.07578	22.1
137.06000	0.6
143.05641	1.5
145.02846	49.8
146.03192	0.5
147.04401	5.0
149.05991	5.9
163.03874	1.0
165.05478	15.3
177.05469	100.0
178.05803	1.2
182.08128	22.0
189.05487	0.6
195.06488	1.5
203.07045	0.8
207.06508	0.8
233.08133	0.6
261.07620	1.0
261.09985	0.5
321.09683	4.9
339.10773	7.2
520.17480	0.7
520.24847	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	520.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
53.65511	0.3
55.01875	0.5
55.05500	1.0
56.05024	0.4
56.96572	0.4
58.99572	0.4
60.04520	0.8
61.02916	0.6
67.05511	2.5
68.99766	0.4
69.03426	2.6
70.06577	1.1
71.04996	0.8
71.59680	0.3
71.60089	0.7
72.08146	1.0
73.02918	0.7
76.02214	0.9
79.05470	0.7
81.03407	3.0
81.07054	0.5
83.04967	1.5
84.08126	0.4
85.02904	5.5
86.09708	1.0
86.99033	0.5
87.00815	1.5
87.04478	0.5
88.03926	0.4
91.05446	2.0
93.07037	1.0
95.04938	0.7
95.08612	5.6
97.02885	2.6
99.04449	1.5
100.02198	2.6
102.05564	0.5
103.03930	0.5
105.00097	0.9
105.01862	0.9
105.07035	1.3
107.04949	0.6
109.02868	2.2
111.02795	0.3
111.04387	0.4
112.02211	0.4
119.04958	2.2
120.06524	0.4
122.02738	5.4
123.08057	7.7
127.03912	3.4
128.98582	0.4
129.05553	0.5
134.99738	0.4
135.04411	0.6
137.05960	0.9
138.05460	0.6
139.03938	0.6
143.05641	3.1
145.02858	1.2
145.04985	1.2
146.02711	1.7
147.04414	9.5
151.07544	100.0
159.02899	1.1
163.03862	0.6
163.07533	0.5
164.03786	1.2
165.09128	3.7
166.03209	1.0
167.07004	0.6
174.01755	0.3
175.03931	0.7
175.07570	0.9
177.04187	0.5
177.05486	2.2
179.03409	0.4
185.09642	0.4
188.03738	0.6
189.09125	0.7
193.08614	3.1
205.08495	0.5
207.06590	0.9
212.03775	1.5
213.09056	0.4
217.08659	1.4
231.05066	0.7
231.10063	0.5
238.14372	0.6
239.14723	0.7
241.08604	1.0
259.09644	1.3
272.09552	7.4
273.06323	0.4
334.05887	1.2
340.19455	0.7
352.06943	0.6
358.20334	0.6
363.10800	0.6
370.08017	9.0
381.11783	0.6
520.14594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
56.05005	0.5
63.02377	0.4
69.03428	9.4
70.06586	1.6
71.04991	0.5
71.60354	0.4
72.08158	0.5
76.15148	0.3
81.03424	0.5
83.05000	0.7
85.02911	1.5
86.09689	0.6
89.03916	5.0
89.06031	1.4
91.05482	3.7
95.04970	2.0
97.02890	1.3
98.83595	0.4
103.05473	0.6
103.55574	0.4
106.04157	0.4
107.04957	0.6
107.08612	0.4
109.02864	0.8
111.04433	1.0
116.98641	0.4
117.03378	15.2
119.04936	6.2
121.02839	1.1
121.06489	0.8
123.04428	5.4
127.03912	4.9
131.04919	0.7
131.08682	0.3
134.03627	1.1
135.04417	1.1
136.07574	13.4
137.05984	0.9
143.05655	1.2
145.02840	51.4
146.03220	0.5
147.04401	3.9
147.06570	0.3
149.05977	6.1
152.05681	0.6
155.05623	0.5
157.04962	0.4
161.05916	0.6
162.03093	0.4
163.03847	0.8
165.05475	11.9
175.03935	1.1
175.06041	0.5
177.05464	100.0
178.05817	1.6
182.08127	18.2
186.05438	0.8
187.07573	0.4
189.05498	0.5
195.06523	1.1
197.10313	1.7
198.10632	1.0
203.07033	0.5
207.06497	2.2
217.08566	0.5
225.07591	0.6
231.06532	0.7
233.08008	0.6
241.12875	0.5
261.07538	0.7
271.05826	0.9
272.06415	0.7
312.04605	0.5
321.09641	4.6
339.10703	5.8
393.19788	0.4
502.16809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
53.38620	1.1
55.01873	4.7
55.05511	22.4
56.96584	1.1
57.03443	4.2
57.07075	1.1
59.05013	3.8
60.08190	1.0
61.02925	1.2
61.35727	1.0
65.03953	3.7
65.58799	0.9
67.05505	100.0
68.05869	1.2
69.03432	9.6
69.07069	22.9
69.07420	1.8
69.32111	11.4
71.04997	3.6
79.05492	19.1
81.03437	3.6
81.07057	29.5
83.05010	3.3
83.08628	11.1
84.01100	1.0
85.02905	1.3
85.06553	2.9
86.09718	2.2
91.05476	19.1
93.07049	17.7
95.04981	5.9
95.08605	13.5
97.02893	9.0
97.06571	4.0
97.10181	10.1
104.10802	2.8
105.07034	12.3
107.04955	5.1
107.08610	12.7
109.06558	3.8
109.10161	56.4
111.08120	3.2
113.00085	1.2
117.07008	7.2
119.08587	14.0
119.09338	1.2
121.06555	2.4
121.10151	4.8
123.04539	1.3
123.08118	3.2
123.11713	1.2
125.00108	1.4
125.09630	6.3
129.07054	4.1
130.07875	2.3
131.08586	7.3
133.06543	1.9
133.10133	7.9
135.08101	2.8
135.11746	3.4
137.09647	2.9
143.08636	3.9
145.10117	6.7
147.04515	1.2
147.08080	4.8
147.11758	3.0
149.09685	2.1
149.13318	2.5
155.10744	2.3
156.61632	0.9
157.10231	4.1
159.11798	4.0
160.04463	1.0
161.09715	3.1
161.13297	1.3
163.11221	1.4
165.09152	2.3
169.12273	1.0
171.11743	1.8
173.11752	14.9
173.13135	1.7
175.11261	1.8
177.12738	1.1
181.10152	1.4
184.07341	4.9
189.11288	3.5
189.12805	1.3
195.13983	1.9
223.13278	13.1
223.15115	1.2
227.12947	2.7
227.17998	1.3
229.14474	4.6
245.19154	1.8
255.17519	1.2
260.10751	1.0
271.06000	8.3
273.18481	15.5
273.21164	1.1
275.20190	1.9
291.19547	81.1
292.20087	2.3
299.06219	1.0
331.16373	1.1
347.22452	2.9
349.16891	2.5
365.15579	1.6
365.23325	2.0
367.18018	2.5
389.12048	1.1
399.23730	1.1
466.41251	1.1
476.14630	1.1
501.32697	3.0
519.33490	62.8
520.34039	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	519.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48666	0.3
61.74702	0.3
67.05505	0.4
68.99805	0.3
69.03429	0.6
69.07069	0.4
70.06593	0.5
70.73917	0.8
70.74233	0.3
72.08152	0.4
74.34118	0.3
81.03424	0.5
81.07062	0.8
85.02894	1.1
86.09723	0.4
91.05479	1.0
93.07065	0.5
95.04976	0.4
97.02930	0.5
104.76410	0.3
105.07066	0.5
107.04951	0.4
107.08614	0.4
109.02840	0.3
119.04905	0.4
119.08495	0.4
121.02879	0.4
121.10099	0.4
127.03973	0.4
137.05986	2.6
141.05502	0.3
143.05676	1.2
145.02908	0.8
149.05920	0.4
161.06020	0.6
163.03929	0.6
167.07047	0.8
176.14410	0.7
177.05511	1.0
195.02907	0.4
203.05318	0.7
205.08345	0.4
213.11140	0.4
259.07932	0.9
267.06531	0.6
270.05331	0.4
271.06006	3.0
281.08130	0.5
283.05969	2.8
283.15067	0.5
284.06851	0.7
287.27554	0.3
295.06229	0.9
295.09741	0.4
299.06171	0.4
309.07660	1.2
313.07068	4.2
323.09262	1.2
333.07446	0.5
337.07132	2.3
357.18851	2.4
361.07059	0.7
379.08017	2.8
459.22244	0.7
483.09253	1.9
487.21579	1.1
501.10501	0.4
501.23859	0.5
519.24194	100.0
520.24762	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	0.3
55.01839	0.4
55.05475	0.6
57.03405	0.5
57.66440	0.2
67.05469	0.7
68.99746	0.5
69.03417	1.3
69.07034	0.7
70.06580	1.7
70.54442	0.3
70.60309	0.8
70.80484	0.3
70.96577	0.2
71.04958	0.3
72.08105	0.5
79.05459	0.7
81.03360	0.7
81.06998	1.2
83.04927	0.6
84.08090	0.4
85.02851	0.9
85.06496	0.6
86.09663	0.4
87.06656	0.5
91.05425	1.2
93.06994	0.9
94.91260	0.3
95.04903	1.0
95.08576	0.7
97.02834	0.9
97.06475	0.7
98.20828	0.3
103.32599	0.3
105.07048	1.4
107.04935	0.5
107.08517	0.6
109.02827	0.8
109.06486	0.5
109.10110	0.8
111.08070	0.3
112.41422	0.2
115.05440	0.4
117.03291	0.5
117.06938	0.3
119.04873	0.7
119.08538	0.7
119.88130	0.3
120.07975	0.2
121.02863	0.3
121.06483	0.7
121.10082	0.8
122.03596	0.7
123.04403	0.4
123.08041	0.5
124.07538	0.3
125.05963	0.6
127.03850	1.1
127.07413	0.3
128.06175	0.4
129.06931	0.5
131.04872	0.5
131.08586	0.4
133.06497	0.3
133.10042	0.4
135.08011	0.3
135.95029	0.2
137.02370	0.6
137.05978	9.2
139.03860	0.3
141.06984	0.5
143.05641	19.8
145.02840	0.6
145.06464	0.5
145.10091	0.9
147.04321	0.8
147.11597	0.4
149.05956	0.3
151.03859	0.9
151.07574	0.4
159.04233	0.3
159.11699	0.4
161.05931	1.1
161.09485	0.3
162.64082	0.2
163.03654	0.3
163.07457	0.5
163.11081	0.3
167.05658	0.4
167.06996	1.7
169.06458	0.7
173.05945	0.6
173.09583	0.3
175.07498	0.6
177.05481	1.6
177.12682	0.4
179.07037	0.7
187.03914	0.8
187.07500	0.4
187.11079	0.6
197.05939	0.6
201.05487	0.6
202.05934	0.4
203.05269	0.4
203.07021	1.5
205.08569	0.4
205.12210	0.4
207.06494	0.5
209.11842	0.3
215.10744	0.4
225.05522	0.6
229.04893	0.5
233.11714	0.5
239.10234	0.3
251.12822	0.6
253.04991	1.0
265.08798	0.4
271.06003	100.0
272.06342	6.5
283.09491	0.3
287.05493	1.0
288.05856	0.6
289.06018	0.6
295.09702	0.4
299.05850	0.5
301.06998	0.3
313.07230	0.5
314.56888	0.3
321.10831	0.4
327.12146	1.1
357.13351	0.7
357.18967	1.1
377.14313	0.3
448.15417	0.4
459.22171	0.3
475.22961	0.3
487.21844	0.3
519.24261	36.4
519.30164	1.4
520.24707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1134
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
54.73811	0.9
55.01874	1.2
63.08039	0.8
63.18399	0.8
68.99780	1.7
69.03414	1.5
69.28481	1.2
69.28871	9.2
70.06576	2.1
73.02894	0.9
81.03402	2.2
85.02894	5.8
91.05484	2.7
93.07057	1.6
95.04973	1.0
98.02797	0.9
102.62653	1.0
103.03917	1.6
103.05487	0.9
105.07047	1.2
109.06458	0.9
109.10162	0.9
111.04430	0.9
119.04953	2.9
121.02857	11.5
121.10125	2.4
127.03936	1.4
129.01807	1.1
129.47020	1.0
136.98274	0.9
137.06001	3.7
141.01939	1.0
142.14854	1.0
143.05643	2.4
145.02858	2.7
147.04411	1.0
151.03903	0.9
160.32712	0.9
163.03909	2.5
165.01825	5.7
167.03358	2.1
175.07503	1.1
177.01816	2.0
177.05434	2.0
183.02904	4.0
187.03876	1.1
191.03439	1.4
195.02902	2.1
213.05478	2.7
217.04926	1.1
227.07147	1.1
227.68571	0.9
243.02890	1.2
243.06526	1.5
255.06534	4.2
256.07278	5.4
259.05914	1.1
261.03903	1.2
267.06528	3.3
270.05420	0.9
271.06000	7.6
281.04245	1.0
281.07993	1.4
283.06000	54.3
284.06747	26.0
285.07394	1.7
295.06012	34.9
295.09375	2.0
297.07556	14.0
305.08008	1.3
307.05933	2.4
308.06714	1.9
309.04077	1.5
309.07455	7.7
311.05487	2.9
313.07047	100.0
314.07535	1.6
323.05411	2.6
323.09106	7.9
325.07047	3.7
333.07507	2.4
337.07007	20.9
343.08163	5.1
351.08688	2.2
351.49905	1.0
361.07178	4.4
365.13510	1.1
367.08124	2.0
379.08105	15.2
383.57718	0.9
397.09167	5.3
415.10178	3.1
433.11215	2.9
439.10239	11.5
457.11285	6.2
465.07782	1.2
475.12503	4.4
483.08981	7.2
501.10342	14.0
519.11377	26.3
519.23828	1.8
520.11578	1.9
544.55133	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1137
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.93210	0.1
55.05510	0.2
56.96564	0.1
65.03951	0.2
67.05504	0.3
68.99786	0.9
69.03418	0.5
70.06574	0.4
71.05004	0.2
71.21459	0.3
71.21795	0.2
76.02231	1.2
77.02560	0.2
77.29185	0.1
79.05486	0.3
81.03429	0.8
81.07075	0.1
84.04494	0.3
84.08125	0.2
85.02893	0.6
86.09705	0.2
89.03900	0.3
89.70510	0.1
91.05485	0.4
93.07044	0.3
95.01340	0.1
95.04984	0.2
95.14176	0.2
97.02863	0.3
105.07025	0.2
107.04966	0.2
107.08620	0.2
109.02853	0.3
111.04440	0.4
116.01677	0.3
117.03392	0.3
119.04942	0.3
119.08547	0.2
121.02858	0.3
127.03871	0.2
130.05075	0.2
132.08139	0.2
133.06522	0.2
135.04424	1.6
137.02341	3.9
137.05969	1.2
141.05487	0.1
141.06992	0.2
143.05663	0.5
145.02881	0.2
145.10156	0.1
147.04424	0.4
151.03897	1.5
151.05006	0.2
151.07455	0.2
152.04253	0.5
155.03384	1.2
157.06454	0.3
161.02362	1.9
161.05975	0.2
162.02182	0.4
163.03889	0.2
167.07051	0.4
169.06459	0.2
173.06007	0.2
177.05417	0.3
178.05006	0.7
179.05043	1.0
179.06969	0.2
180.05177	0.3
181.07201	0.2
185.05951	0.4
194.12694	0.2
197.05959	0.3
197.10329	0.3
201.05530	0.2
203.07060	0.4
206.04552	1.2
207.04819	0.7
212.13594	0.2
215.07011	0.3
223.11923	0.3
241.13081	0.5
243.06462	0.3
253.04988	0.4
270.05319	0.2
271.06012	100.0
272.06354	1.5
283.06079	0.4
284.06787	0.2
295.05954	0.3
308.09152	0.3
313.07031	0.5
357.13403	0.3
436.12698	0.2
482.46262	0.1
501.10593	0.2
519.11395	1.6
519.19135	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	519.1131
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
57.43174	0.2
67.01858	0.3
68.99787	0.4
69.80463	0.4
69.80869	0.5
84.17252	0.1
85.82722	0.2
91.05460	0.3
119.04927	1.2
121.02895	0.3
145.02821	0.5
153.01817	3.5
157.40305	0.1
163.03893	0.2
171.02873	0.5
203.07034	0.2
225.05371	0.2
229.04944	0.3
243.06577	0.4
271.05994	100.0
272.06357	2.4
293.70163	0.2
433.11380	1.4
477.62524	0.2
497.61273	0.2
501.10352	0.3
519.11328	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1138
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
54.42117	1.5
55.05506	1.7
56.96563	1.7
57.03437	1.4
61.02929	1.7
65.03954	2.5
67.05501	3.7
67.55697	1.1
68.99797	1.6
69.03435	6.3
69.07056	2.1
69.38249	6.0
69.38677	7.9
70.06597	4.5
71.04986	2.0
79.01867	1.4
79.05509	3.3
81.03421	2.7
81.07058	4.6
83.04980	1.6
85.02904	9.0
85.06541	1.9
86.09726	2.0
87.00848	2.3
91.05494	5.9
93.07045	7.8
93.92596	1.3
95.04974	5.7
95.08620	3.3
95.86327	1.4
97.02919	4.4
97.06574	2.1
103.03944	2.2
105.07039	5.5
107.04992	2.3
107.08611	4.8
109.02905	2.8
109.06518	1.5
109.10149	2.8
115.05448	2.0
117.07034	1.3
119.04971	7.0
119.08591	4.0
120.08036	1.5
121.02859	14.9
121.06538	1.6
121.10133	14.6
122.03629	1.4
124.07601	2.6
127.03936	3.1
127.11179	1.5
129.01909	1.6
131.04944	2.8
131.08617	2.2
133.10115	2.2
135.11690	2.5
137.05977	16.4
137.09599	1.5
141.01895	1.7
143.05646	21.1
145.02843	5.8
145.10101	2.0
147.04431	2.6
147.11743	2.6
148.05252	1.5
149.05959	2.1
149.09705	1.6
151.03923	3.3
153.05515	2.7
159.11673	2.5
161.06020	6.2
163.03915	2.3
163.07500	2.4
165.01793	7.8
167.03435	2.0
167.07074	8.1
167.08336	1.9
175.03940	3.2
175.07573	2.8
177.05482	7.6
178.05940	1.6
179.07085	3.4
181.04982	1.4
183.02913	4.7
187.03889	1.4
187.07617	4.5
189.05489	1.8
191.06999	1.6
195.02878	2.6
199.07605	1.5
201.05537	2.3
203.07048	3.7
203.14401	1.5
205.04868	2.0
207.06538	3.6
211.07469	1.9
213.05489	2.9
233.08160	1.8
239.06935	1.6
243.06654	2.0
255.06552	5.2
256.07303	5.3
261.03949	1.9
265.08582	1.7
267.06653	3.7
270.05237	2.7
271.06027	17.6
277.08508	1.5
279.06528	2.3
281.08179	1.7
283.06006	59.6
284.06799	28.0
285.07266	1.8
285.22083	2.2
295.06049	34.2
295.09467	2.7
297.07642	11.2
297.11090	2.1
299.06024	2.1
305.08179	2.3
307.06177	3.3
308.06717	2.9
309.07632	7.5
311.05484	3.4
313.07050	100.0
314.07465	1.8
315.12598	1.5
321.24362	1.3
323.09116	9.7
325.07230	3.8
325.10938	1.8
333.07556	2.8
337.07068	20.8
343.08124	3.8
351.08624	2.8
357.13132	3.8
361.07065	3.8
379.08188	16.6
397.09088	4.2
399.06754	2.0
415.10416	2.8
418.12582	1.6
433.11511	2.1
439.10333	8.6
457.11386	6.5
475.12427	3.2
483.09219	8.8
501.10229	11.5
501.17426	2.0
519.11371	24.6
519.24963	10.1
519.31708	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75271	0.2
56.05035	0.8
57.03421	0.1
58.06631	0.5
59.07392	0.2
60.08160	6.5
67.05493	0.7
69.07047	0.2
69.93285	0.5
70.06593	0.1
71.07369	3.4
79.05486	0.4
80.97433	0.1
81.07046	0.6
86.09702	33.5
87.10027	0.2
91.05476	0.3
93.07045	0.3
95.08601	0.4
98.21531	0.1
98.98460	3.3
104.10741	2.9
107.08594	0.2
119.08572	0.2
124.99998	22.5
131.08537	0.1
143.01036	0.5
161.74147	0.1
184.07330	100.0
185.07767	0.6
258.11075	0.1
436.78427	0.1
500.31238	0.8
518.32477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
56.05018	1.5
57.03441	0.6
58.06595	0.7
59.07398	0.8
60.08165	16.6
67.05510	3.7
69.07047	1.2
69.89032	1.0
69.89449	1.8
71.07374	6.2
79.05496	2.8
80.24993	0.6
81.07053	2.1
83.08648	0.5
86.09708	49.7
91.05464	1.0
93.07034	2.0
93.56976	0.5
95.08616	1.5
98.20779	0.5
98.98472	3.5
103.60691	0.7
104.10746	97.2
105.07018	0.6
105.11048	0.7
107.08580	0.7
109.10160	0.9
119.08571	0.8
121.10139	0.8
125.00005	27.8
147.98660	0.5
184.07346	100.0
186.39517	0.5
214.86319	0.5
258.11075	1.0
271.05988	0.6
291.19537	0.6
335.25717	1.0
348.37271	0.5
439.11179	0.5
491.09860	0.6
500.31342	8.0
518.32507	22.7
519.32587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03940	1.8
55.01875	1.2
55.05513	17.3
57.03431	3.9
57.07071	2.4
63.66313	1.0
67.05505	29.1
69.03442	0.8
69.07065	14.7
69.56193	7.7
71.05006	1.4
71.08629	1.6
72.77290	0.9
79.05490	20.5
81.07057	34.0
82.07349	1.0
83.04975	1.6
83.08619	8.7
85.06529	2.6
91.05475	17.8
93.07043	29.0
93.07632	2.0
94.90384	0.9
95.04974	3.6
95.08609	29.0
97.06528	2.5
97.10173	4.1
103.05465	0.9
104.10745	1.0
105.07026	24.3
107.08592	20.4
109.06491	1.5
109.10152	12.8
111.08076	2.1
113.00026	3.0
117.07031	8.5
119.08575	24.7
121.06499	1.0
121.10143	17.9
123.08048	2.2
123.11711	3.7
125.09647	1.7
129.07013	3.6
131.08572	17.5
131.09502	1.1
133.10123	17.9
135.08069	1.3
135.11691	9.0
137.13333	1.0
141.07031	1.7
143.08546	5.8
145.10107	15.8
147.08052	1.7
147.11678	13.3
149.13258	5.0
155.08543	1.6
157.10127	5.4
159.11690	13.3
161.09602	1.2
161.13240	7.2
163.14861	3.4
169.10162	2.7
171.11653	5.9
173.13249	8.5
175.14833	4.0
177.12808	1.0
179.14391	2.4
181.10185	1.7
183.11758	3.4
185.13289	4.5
187.14821	5.4
189.16499	2.2
197.13310	2.6
199.14880	2.9
201.16463	2.7
203.14377	1.1
205.15839	2.1
210.20798	1.0
211.14897	1.4
213.14807	1.3
215.18054	1.5
225.16331	1.3
227.16339	1.2
241.17885	2.3
241.20023	1.4
241.22160	1.0
245.18787	1.1
252.96321	1.1
259.20703	3.0
263.20093	1.2
273.22202	2.4
275.20056	1.7
287.23886	2.8
289.21674	1.7
292.23361	1.1
293.21405	1.1
299.23721	1.4
305.24850	1.0
313.25403	1.1
327.27087	1.5
331.26501	2.5
333.24487	1.6
361.27466	1.4
391.28604	1.1
405.30118	5.3
407.28299	1.9
407.33362	3.1
425.34186	14.8
443.35275	4.7
447.31561	1.1
451.05569	1.1
481.36993	1.1
499.37796	18.5
503.65167	1.1
517.38867	100.0
518.39124	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	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03950	1.8
55.01852	1.8
55.05513	14.3
57.03435	5.3
57.07074	2.1
58.22100	0.8
60.49319	0.9
64.02583	0.8
65.03951	1.6
67.05506	31.9
68.05898	1.0
69.07068	14.5
71.04983	2.6
71.08629	1.3
79.05056	1.9
79.05492	23.9
81.07055	33.8
83.04980	2.9
83.08630	7.5
85.06549	1.7
91.05473	17.9
91.06007	1.3
93.07043	29.0
95.04961	3.2
95.08604	28.0
96.08943	1.0
97.06540	4.3
97.10177	2.8
98.20722	2.6
99.08090	1.7
105.07023	22.7
107.08593	21.9
109.06553	1.5
109.10159	16.0
111.08072	1.1
117.07014	8.5
119.08578	25.0
119.09349	1.9
121.10133	15.9
123.08080	1.8
123.11728	3.8
129.06984	4.8
130.07809	1.1
131.08580	15.9
133.10120	17.8
135.11674	9.9
137.09656	1.0
141.06981	1.2
143.08592	4.8
145.10120	16.8
147.11684	12.8
149.13243	6.2
155.08618	2.2
157.10109	6.8
159.11700	11.9
161.13257	7.9
163.11139	1.5
163.14854	2.6
167.08496	1.4
169.10161	3.0
171.11685	6.8
173.13293	10.6
175.14825	3.5
179.14282	1.0
183.11736	2.0
185.13235	4.7
187.14775	4.6
189.16414	2.0
197.13272	2.7
199.14835	4.3
201.16348	2.5
209.13312	1.2
211.14816	2.3
213.16502	2.3
226.47574	1.0
227.18118	2.0
233.18909	1.1
239.18169	1.5
241.17982	3.1
245.19031	1.2
259.20587	1.8
273.22098	2.1
275.20078	1.7
285.22070	1.3
287.23682	1.8
299.23874	1.4
301.25345	1.8
313.25339	2.5
317.25110	1.1
327.27039	1.6
327.85342	1.0
333.24164	1.3
405.30139	3.1
407.28323	1.5
407.33173	4.9
425.34158	13.9
443.35178	6.1
463.36627	1.3
499.37885	19.1
517.38861	100.0
518.39246	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03944	2.2
55.01860	1.9
55.05508	16.6
56.54466	0.7
57.03435	6.4
57.07065	2.8
65.03934	2.0
66.08488	0.8
67.05503	29.8
67.96669	1.0
69.03400	0.7
69.07065	14.6
69.07411	1.3
69.34637	6.6
69.35047	1.1
71.05009	1.7
71.08642	1.4
79.05489	25.4
81.07055	37.8
83.04981	1.8
83.08615	8.1
85.06540	2.1
91.05476	20.0
93.07040	30.3
93.07629	1.7
95.04969	4.0
95.08603	29.2
96.64228	0.7
97.06528	2.3
97.10143	4.6
98.21505	1.7
99.08129	1.2
103.05437	0.9
104.10775	1.0
105.07027	24.5
107.04993	0.9
107.08592	20.5
109.06516	1.1
109.10155	11.7
110.91457	0.8
111.08099	2.0
112.77762	0.7
113.00022	2.6
117.07020	7.4
119.08578	25.9
121.10146	14.6
123.08121	1.4
123.11727	4.2
125.09621	2.2
128.06192	0.9
129.07021	5.2
131.08563	18.7
133.10127	18.2
135.08052	1.6
135.11703	7.5
137.09608	1.4
137.13217	1.1
143.08572	6.0
145.10124	16.2
147.11687	13.4
149.09668	1.2
149.13272	6.6
151.11226	1.3
155.08546	2.1
157.10153	5.7
159.11679	12.9
161.13252	7.0
162.11382	0.9
163.11137	0.9
163.14847	3.4
165.12711	1.2
167.14240	0.8
168.17070	0.7
169.10168	2.3
171.11668	5.4
173.13275	10.3
175.14813	4.1
177.16496	0.9
179.14325	1.5
183.11742	2.5
185.13199	4.5
187.14801	5.9
189.12749	0.9
189.16362	2.2
195.11601	1.2
197.13283	3.0
199.13263	1.2
199.14801	4.1
201.16365	2.8
203.14333	0.8
203.18123	1.2
205.15900	1.7
209.15187	0.8
211.14877	1.5
213.14726	1.3
213.16447	2.0
215.17986	1.7
217.16014	1.3
219.17535	1.2
227.18103	1.4
231.17374	1.0
231.21021	0.9
241.17775	1.7
241.19858	1.8
245.19075	1.5
257.19180	2.1
259.20566	3.9
261.22256	1.0
271.20544	1.3
273.22006	1.0
275.20184	1.9
281.99741	0.7
287.23792	2.2
299.23618	2.2
301.25299	1.2
311.23624	1.0
313.25241	1.4
315.23132	1.3
327.23233	1.0
331.26633	1.7
333.24432	2.2
361.27420	1.0
369.28156	1.0
370.50494	1.0
375.29071	1.0
391.28500	1.4
405.30185	4.1
407.28278	1.5
407.33026	5.3
425.34143	17.6
433.33508	1.3
443.35324	6.0
447.30997	1.7
461.36624	1.3
463.36084	0.9
481.36899	1.2
499.37833	17.2
517.38934	100.0
518.39154	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	517.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00406	0.7
50.06835	0.7
53.03939	1.4
55.01861	0.8
55.05507	11.2
57.03431	5.0
57.07072	1.7
65.03926	1.2
67.05503	30.9
69.06715	1.5
69.07065	15.5
71.04986	1.7
71.08595	0.8
76.22048	0.8
79.05492	23.4
81.07055	32.0
83.04982	1.2
83.08611	7.5
85.06560	2.3
91.05473	16.7
93.07042	27.6
95.04985	2.4
95.08600	26.7
97.06535	2.9
97.10176	4.0
99.08104	0.8
105.06313	1.2
105.07019	22.4
107.08581	17.2
107.23540	0.8
108.08970	0.7
109.06538	0.8
109.10152	12.2
111.08083	1.9
117.07010	7.9
119.08575	22.6
121.10138	14.4
123.08070	1.9
123.11687	3.5
125.09575	0.9
128.06233	0.8
129.07004	3.0
131.08549	15.7
133.10130	16.8
135.08087	0.9
135.11705	7.8
137.13275	1.5
139.11197	1.0
141.07054	1.5
143.08533	5.1
145.10123	18.0
147.11678	11.5
149.13261	6.4
155.08595	2.5
157.10130	5.2
159.11687	12.3
161.13235	6.7
163.14835	3.4
169.10095	1.8
171.11728	4.6
171.73604	0.8
173.13257	10.1
175.11189	0.8
175.14774	4.2
177.12819	1.0
177.16440	1.1
183.11713	3.4
185.13284	4.5
187.14835	4.7
189.16428	2.2
191.14406	1.0
195.11818	0.9
197.13338	2.1
199.14856	3.0
201.16440	3.2
203.18011	1.8
209.15271	1.2
211.14859	1.9
213.14731	1.2
213.16469	1.9
215.18015	1.2
225.16479	1.5
231.17355	0.9
241.18011	3.0
245.18990	1.3
259.20627	3.3
261.22009	0.9
263.20126	1.2
273.22382	1.2
277.21622	1.3
285.22079	1.2
287.23666	2.0
288.30295	0.7
299.23788	1.9
301.21738	0.7
301.25189	1.5
310.17642	0.7
313.25275	1.0
315.23309	0.9
317.24765	1.3
319.22781	0.8
327.26752	0.8
333.24176	1.6
361.27454	1.5
405.29968	2.1
407.28549	1.0
407.33203	4.4
419.32001	1.3
425.34103	12.8
443.35342	6.2
445.46463	0.8
447.30817	1.1
459.34534	1.2
461.36603	1.4
481.36951	1.6
499.37875	17.7
500.38052	0.9
517.38873	100.0
518.39337	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	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03938	1.6
55.01876	1.6
55.05507	18.5
57.03436	6.0
57.07070	2.9
59.04995	1.0
63.89262	1.1
65.03941	1.2
67.05504	38.3
69.03410	1.3
69.07066	18.2
70.66567	2.2
71.05000	2.5
72.48756	0.9
73.60252	1.1
79.05060	2.1
79.05493	29.1
81.03415	1.5
81.07055	46.2
83.04990	3.0
83.08620	9.9
85.06544	2.2
91.05480	25.7
93.07043	38.3
95.04967	6.4
95.08608	37.5
97.06516	4.7
97.10153	5.1
99.08088	1.5
105.07032	30.7
107.04942	1.6
107.08589	24.4
109.06538	3.1
109.10153	15.3
111.08085	3.0
111.11730	1.2
113.00033	3.8
115.05432	1.2
117.07004	9.5
119.08578	29.2
121.06499	2.2
121.10146	20.5
123.08095	2.0
123.11716	4.2
125.09660	1.7
129.07007	4.9
131.08569	20.7
133.10130	22.8
135.08095	1.4
135.11690	11.1
139.11180	1.4
143.08559	6.9
145.10123	16.5
147.11681	17.3
149.09665	1.6
149.13266	8.5
151.11176	1.5
155.08568	4.2
157.10120	6.7
159.11691	13.8
161.09729	1.3
161.13251	9.2
163.11227	1.4
163.14862	2.6
165.12756	1.4
169.10179	2.9
171.11658	6.5
173.13275	10.6
175.14825	5.3
177.12817	2.0
177.16521	1.8
179.14256	2.1
183.11746	3.3
185.13226	6.0
187.11224	1.4
187.14803	6.3
189.16464	2.7
197.13232	2.6
199.14809	3.2
201.16397	1.9
205.15962	1.3
211.14957	1.9
213.16466	1.3
215.18005	1.7
225.16534	1.5
227.18073	1.8
241.17838	2.4
245.19186	1.8
253.19601	1.1
257.19153	1.1
259.20685	3.6
271.20801	1.8
273.22247	2.3
275.20047	2.4
285.22232	1.7
287.23602	1.7
289.21750	2.4
299.23724	1.7
301.25354	1.8
313.25336	3.7
327.27054	3.0
331.26373	2.5
333.24356	2.5
344.93301	1.2
345.28021	1.4
405.30078	7.0
407.33200	5.2
425.34198	14.7
443.35425	7.2
499.37875	22.1
517.38965	100.0
518.39075	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	517.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
53.71925	0.6
55.01850	1.1
55.05260	0.8
55.05511	11.5
57.03432	3.7
57.07065	1.8
58.95786	0.6
61.53805	0.5
65.03941	1.0
67.05503	23.6
69.03421	1.0
69.07066	12.6
69.28149	6.6
71.04986	1.5
71.08601	0.5
79.05492	17.9
79.05963	0.9
81.03422	0.9
81.07056	30.3
82.21480	0.5
83.04942	1.0
83.08621	6.4
85.06539	2.0
85.44273	0.5
91.05476	15.4
93.07043	22.5
95.04962	2.1
95.08603	22.8
97.06537	2.3
97.10173	3.1
98.21547	0.9
99.08105	0.6
105.07030	21.0
107.05006	0.5
107.08594	13.4
109.06519	1.3
109.10154	11.5
111.08080	1.3
113.00068	0.8
117.07008	6.0
119.08571	20.1
121.10146	12.7
123.08090	1.6
123.11691	3.4
125.09631	1.4
129.07007	3.5
131.08559	12.2
133.10126	14.7
133.11070	1.1
135.11685	6.6
137.13266	0.8
141.07033	1.0
143.08568	5.8
145.10129	12.4
147.11665	11.1
149.09641	0.7
149.13281	5.0
155.08580	1.4
157.10117	5.2
159.11703	11.9
161.09692	0.8
161.13246	7.0
163.11201	0.8
163.14862	2.9
165.12758	0.6
169.10147	1.4
171.11687	4.0
173.13272	8.6
175.11317	0.8
175.14825	3.5
177.12769	0.6
177.16383	1.3
179.14244	0.7
183.11708	2.3
185.11827	0.8
185.13229	3.3
187.14751	4.2
189.16440	1.2
191.14378	0.7
197.13321	2.2
199.13303	0.7
199.14871	3.3
201.16423	1.6
203.17990	0.7
205.15947	0.7
209.88068	0.7
211.14911	0.9
213.16374	1.5
215.18010	1.2
220.60681	0.5
227.18149	1.2
241.18015	2.3
241.20029	0.7
249.18419	0.7
249.67113	0.6
257.19217	0.9
259.20535	3.8
261.22168	1.2
265.18298	0.8
271.20471	0.8
273.22266	0.8
279.19568	0.8
281.21027	1.0
285.22208	1.7
287.23721	1.4
289.21552	0.7
299.23853	1.1
301.25116	1.3
313.25082	1.3
314.06586	0.6
315.23279	0.9
315.26901	0.7
317.24817	1.4
327.26932	1.1
329.25122	0.7
331.26279	1.0
333.24188	0.9
335.25867	0.7
355.26376	0.8
361.27731	0.7
369.27829	0.7
391.28577	0.7
398.73227	0.6
405.30212	2.2
407.33060	3.9
419.31723	1.0
425.34116	12.7
425.39294	0.8
443.35214	6.1
463.35336	0.6
475.34857	0.7
481.36984	1.2
499.37833	16.9
517.38635	100.0
518.39124	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	517.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01879	2.0
55.05511	10.1
56.96575	1.5
57.03430	4.7
57.07065	4.6
65.03957	2.0
67.05499	26.2
69.03438	1.8
69.07065	12.7
71.04970	3.3
71.08627	6.3
71.61012	2.3
79.05488	15.9
79.28697	1.3
81.03442	1.5
81.07054	35.2
82.54217	1.5
83.04982	4.6
83.08622	4.8
85.06535	2.9
91.05466	14.3
93.07034	17.1
95.04968	3.4
95.08606	19.2
97.06530	5.2
97.10165	3.6
99.08070	3.1
105.07032	15.9
107.04933	2.7
107.08585	15.6
109.06519	11.9
109.10160	8.6
111.08100	3.4
113.00013	100.0
115.26588	1.2
117.07043	4.1
119.08589	16.0
121.06538	2.4
121.10148	8.8
122.07294	1.2
123.08055	24.2
123.11691	4.0
125.09650	2.0
129.07042	2.4
131.01045	1.6
131.08566	7.3
133.10136	14.9
135.08049	16.8
135.11671	3.2
137.09595	1.9
143.08566	1.4
145.10104	9.3
147.11688	8.2
149.09625	3.9
149.13208	3.3
157.10194	3.2
159.11694	5.2
161.09621	3.8
161.13264	3.1
163.11165	1.8
163.14771	1.4
165.12787	2.0
167.14297	2.1
169.02739	2.2
169.10077	1.4
171.11760	2.0
173.13292	3.4
175.11226	2.3
175.14789	9.2
177.12758	5.5
179.14301	35.0
187.03659	13.6
191.14294	2.1
193.15900	2.2
205.15878	4.6
233.19061	1.8
247.20499	2.1
249.10803	1.3
261.26923	1.2
263.20081	1.8
275.19992	6.3
289.18579	2.0
289.21695	7.8
289.24652	1.4
291.19772	2.3
293.21213	2.0
303.26880	5.1
318.89929	1.4
319.22562	2.3
331.26300	53.4
347.25653	1.6
349.27359	7.8
375.28976	2.1
387.28918	8.9
395.95981	1.4
405.29968	72.7
499.28076	3.7
517.28418	9.0
517.34570	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	517.1709
Annotation	Epimedoside C
Peak:m/z	Relative Intensity
51.39768	0.1
55.01859	0.3
55.05501	0.1
64.68536	0.1
67.05473	0.2
68.99783	0.2
69.03433	1.0
69.07032	0.1
69.72917	0.1
70.57270	0.2
70.57660	0.3
75.22295	0.1
77.03909	0.1
79.01831	0.1
79.05463	0.4
81.03384	0.4
81.07070	0.5
82.72568	0.1
85.02882	0.4
87.90064	0.1
89.03911	0.2
91.05482	0.6
95.04956	0.2
95.08598	0.1
97.02849	0.3
97.06546	0.1
100.11227	0.2
105.07017	0.3
107.04950	0.5
107.08558	0.2
109.02846	0.3
109.10094	0.1
111.04453	0.1
115.05419	0.2
117.03383	0.5
119.04920	0.5
119.08575	0.2
121.06538	0.1
121.10111	0.2
123.04426	0.2
123.11664	0.1
127.03904	0.6
129.06949	0.1
131.04901	0.2
131.08598	0.1
133.02881	0.8
133.06477	0.2
133.10065	0.2
134.03668	0.1
135.04391	0.8
137.01233	0.1
137.02332	2.4
137.05978	1.5
139.05362	0.1
141.01797	1.3
141.06880	0.1
143.05721	0.5
143.08495	0.1
145.02879	0.6
147.04427	0.5
147.11603	0.4
149.05997	0.2
151.03987	0.1
151.07507	0.1
155.03375	0.2
160.05142	0.1
161.02419	0.1
161.05920	0.4
162.06824	0.1
163.03847	0.2
163.07558	0.2
165.01833	3.2
165.05553	0.1
165.12750	0.3
167.07101	0.2
169.06453	0.2
173.05981	0.2
175.03938	0.5
177.05453	1.3
179.03230	0.1
179.07101	0.1
180.07774	0.1
183.02876	2.8
183.13631	0.1
187.07483	0.3
189.01950	0.1
189.05383	0.2
189.06955	0.1
191.06987	0.4
197.05972	0.3
199.03812	0.1
201.05458	1.4
205.04950	1.2
207.06496	0.3
213.05482	0.1
215.07014	0.4
223.05931	0.1
225.05440	0.4
229.14339	0.2
231.06509	0.1
233.05757	0.1
234.06744	0.3
235.07596	0.2
242.57005	0.1
243.06509	0.9
245.04388	0.2
249.09129	0.2
253.04907	0.6
262.06201	0.2
263.07098	0.2
265.08679	0.2
271.05978	1.2
277.08484	0.3
281.04480	0.6
290.05841	0.5
293.08163	0.2
294.08813	0.1
299.05487	100.0
300.05804	1.1
305.08157	0.5
307.09747	0.2
313.10721	0.2
325.10693	0.4
337.10654	1.2
355.11746	25.8
356.11899	0.2
517.17255	0.8
517.24194	0.1
517.28064	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	516.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01861	0.5
55.05499	1.5
57.03428	0.9
61.02902	0.4
65.03925	0.5
65.67323	0.3
67.05499	3.6
69.03425	4.9
69.07059	2.4
70.06563	0.4
71.04972	1.1
71.61095	0.3
73.04038	0.9
79.05490	2.9
81.03418	7.3
81.07056	13.4
83.04963	1.1
83.08606	1.4
85.02915	3.0
85.06525	0.9
85.47638	0.3
87.04475	1.9
88.05130	1.9
91.05479	5.2
93.07040	2.2
95.04965	0.9
95.08609	2.6
97.02888	3.2
97.06516	1.3
97.10096	0.3
99.04436	0.9
99.08083	0.8
101.03523	0.6
105.07031	6.9
107.04954	1.5
107.08577	2.4
107.88047	0.3
109.02884	5.1
109.06519	0.8
109.10215	0.4
117.03364	0.5
119.04932	1.4
119.08572	5.3
120.08946	0.3
121.06495	0.3
121.10145	4.5
123.04488	0.3
123.08080	0.7
123.11711	5.4
127.01403	1.1
127.03915	5.5
127.07545	1.0
129.07007	0.4
131.04892	0.3
131.08580	0.4
133.02855	0.4
133.10114	1.1
135.04439	0.5
135.61330	0.4
137.05956	2.0
137.09642	0.4
137.13217	0.4
141.09103	0.4
143.05672	2.0
144.04042	100.0
145.02899	0.8
145.10115	0.4
147.04433	1.5
147.11682	15.6
148.04774	0.4
148.11928	0.4
157.10118	0.7
161.05960	0.5
161.09631	0.3
163.03893	1.1
163.07513	0.7
165.12762	9.5
167.07053	0.8
173.06000	0.6
175.03949	1.1
175.11182	0.9
177.05481	2.0
179.07045	0.9
180.07835	0.6
183.13802	3.0
193.08513	0.3
193.12242	1.7
201.05467	3.9
207.06480	1.4
208.06946	0.5
211.13280	1.1
229.14348	7.9
235.07484	0.5
250.10657	0.4
252.12149	0.7
253.14349	0.4
261.14999	0.3
262.06360	0.4
265.08633	0.4
265.13303	0.4
266.13745	0.6
277.08572	0.6
290.05759	0.4
292.07498	0.3
305.08176	0.7
306.09290	1.1
312.13937	0.6
319.15424	0.5
325.10812	0.7
337.10678	1.4
337.16403	2.4
354.10544	0.4
355.11832	3.1
355.17514	4.7
373.18912	0.4
445.14255	0.3
456.18231	0.6
484.17398	0.5
516.20929	3.6
517.16711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01851	2.0
55.05506	14.1
57.03423	8.0
57.07062	1.8
57.70499	1.4
65.03938	1.9
67.05503	38.2
69.03429	2.1
69.07063	13.2
69.66261	1.3
71.01353	1.7
71.04993	2.9
71.60700	2.1
79.05489	39.4
81.03410	1.7
81.07056	35.2
83.04986	6.0
83.08620	6.8
85.06534	2.1
91.05473	22.8
93.07038	38.9
95.04980	6.8
95.08598	19.9
97.06544	5.8
97.10153	7.3
100.51667	1.6
105.07018	17.1
107.08588	25.2
109.06532	2.1
109.10146	9.2
114.26441	1.6
115.05495	1.9
117.07008	9.5
119.08572	14.7
121.10146	14.0
123.08162	1.6
129.07002	6.0
130.07790	2.0
131.08554	17.9
133.10130	9.9
135.11685	21.8
143.08569	8.2
145.10109	16.4
147.08051	1.9
147.11714	6.2
149.13300	2.6
151.11131	1.6
155.08536	4.4
157.10094	7.3
159.11699	11.5
161.13254	3.2
163.11195	3.9
169.10197	3.1
171.11739	5.4
173.13260	7.5
175.14890	2.1
181.10196	1.9
181.12257	3.7
183.11697	4.0
185.13315	4.9
187.14902	4.6
197.13324	3.2
199.14944	2.6
211.14880	1.9
237.16290	1.5
261.22183	2.2
271.20526	1.9
325.25650	1.6
405.31519	2.5
423.32440	9.6
441.33597	3.3
459.34601	2.1
497.36169	6.5
515.37317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03944	4.0
54.88648	0.8
55.01870	4.5
55.05508	20.7
56.28518	0.9
57.03441	6.1
57.07077	3.5
61.58769	0.8
62.42004	0.8
62.85727	0.8
65.03938	2.5
67.05504	51.3
67.65923	0.8
69.03426	1.6
69.07068	13.5
71.01363	2.0
71.04992	3.7
71.60358	1.9
77.03941	1.4
79.05491	45.3
81.03416	1.5
81.07054	40.1
83.04982	10.9
83.08613	7.2
85.06526	2.9
91.04906	1.3
91.05478	27.0
93.07042	55.5
95.04961	8.4
95.08602	28.1
97.06519	8.7
97.10149	7.7
99.08107	1.5
105.04533	1.0
105.07031	19.3
105.50498	1.1
107.04949	1.3
107.08594	29.0
109.06539	1.8
109.10155	14.8
111.08089	2.9
117.07018	10.2
119.08590	16.2
121.10139	20.0
123.08091	1.0
123.11715	2.3
125.05936	0.9
125.09656	1.5
126.94655	0.9
128.06268	2.5
129.07008	4.3
130.07797	0.9
131.08574	14.5
133.10120	10.5
133.64452	0.9
135.08157	1.3
135.11688	35.7
137.09642	1.1
142.07771	1.1
143.08557	5.4
144.09442	1.1
145.10124	14.5
147.11678	7.0
149.13257	3.8
151.11142	0.9
153.12715	4.8
155.08589	2.0
157.10095	5.7
159.11697	7.8
161.13295	3.1
163.11209	4.9
169.10127	2.3
171.11678	5.2
173.13268	6.8
175.14848	2.3
177.12802	1.1
181.12265	5.3
183.11711	3.4
185.13235	4.2
187.14867	3.8
193.10210	1.1
197.13319	1.7
199.13261	1.7
199.14848	2.3
201.16484	1.3
209.13289	1.5
213.16498	1.2
215.18063	1.1
223.14700	1.6
225.16676	0.9
241.19655	0.9
261.22214	4.5
285.22287	1.0
301.75357	0.9
315.23026	1.1
325.25204	1.0
405.31519	2.6
423.32550	10.5
441.33685	3.6
484.61417	1.1
497.36273	4.5
515.37366	100.0
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
53.03938	3.6
55.01881	1.4
55.05509	14.4
57.03428	3.7
57.07074	1.9
58.30751	0.7
65.03936	1.9
67.05504	44.1
69.03444	1.1
69.07068	12.1
71.01350	1.2
71.04988	2.6
79.05491	36.7
81.03418	2.5
81.06578	1.7
81.07057	33.3
83.04998	6.2
83.08601	4.7
85.06527	2.6
91.05480	24.6
93.07041	42.0
95.04963	7.5
95.08607	19.6
95.09171	1.6
97.06521	4.7
97.10168	6.1
99.08062	1.6
105.07027	17.6
107.07868	1.4
107.08588	22.5
108.13223	1.0
109.06555	1.4
109.10155	8.6
111.08059	1.6
117.07002	7.5
117.68448	0.9
119.08577	16.1
121.06549	1.0
121.10128	12.3
123.08054	1.2
123.11689	2.6
125.09627	1.6
129.03931	0.9
129.07001	3.6
131.08569	15.4
133.10126	8.2
135.11694	27.1
137.09624	2.0
137.13303	0.9
141.06952	1.3
143.08575	4.7
145.10130	15.4
147.11676	5.6
149.13292	3.4
151.11064	1.0
153.12756	2.3
155.08592	2.6
157.10165	6.0
159.11684	8.0
161.13237	4.2
163.11218	2.9
163.14821	1.1
167.08517	1.1
169.10117	2.4
171.11699	5.2
173.13263	6.3
175.14888	1.8
181.10129	1.3
181.12155	4.7
183.11719	3.0
185.13286	3.3
187.14841	2.7
195.11792	1.2
197.13319	2.6
199.14880	1.7
209.13252	1.6
231.47083	1.0
232.52902	0.8
237.16446	1.3
243.21335	1.0
261.22195	3.1
265.19843	1.0
271.20740	0.9
285.21982	1.3
287.35394	0.9
301.35022	1.0
311.23846	1.3
343.14963	1.2
405.31595	2.6
423.32440	10.0
441.33636	3.3
459.34686	1.4
497.36060	3.9
515.37317	100.0
516.37708	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	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01871	3.2
55.05513	17.7
57.03430	4.8
57.07076	2.5
60.95650	1.3
63.82661	1.0
65.03941	2.4
67.05505	53.8
69.03430	1.6
69.07066	15.1
71.01345	2.2
71.04987	3.3
71.08602	1.2
72.22125	1.2
79.05495	52.6
81.03428	3.4
81.07060	46.7
83.04982	6.0
83.08638	6.1
85.06559	3.2
88.93948	1.1
91.05485	32.0
93.07043	56.9
95.04984	9.3
95.08604	22.9
97.06509	7.4
97.10178	8.1
98.20688	2.0
99.08105	1.7
105.07023	19.0
107.08597	32.2
109.06532	2.0
109.10150	10.5
111.08107	2.0
115.05460	2.2
117.07014	10.1
119.08585	14.7
121.06495	1.3
121.10145	17.3
123.11726	3.0
129.06982	2.6
131.08577	16.1
133.10138	11.4
135.11693	33.5
137.09688	1.4
141.07056	1.8
143.08572	6.2
145.10127	17.9
147.11713	6.0
149.13286	2.9
157.10129	4.7
159.11674	10.3
161.13335	3.5
163.11211	3.5
163.14713	1.4
169.10123	3.1
171.11690	5.2
173.13271	6.8
175.14870	1.2
181.10179	1.1
181.12248	5.7
183.11784	1.8
185.13289	4.3
187.14832	3.1
195.11806	1.2
197.13318	1.4
199.14923	2.4
201.16394	1.2
213.16533	1.5
223.14781	1.4
229.75780	1.3
261.22205	2.6
285.22070	1.5
297.22147	1.4
317.24802	1.6
318.28287	1.2
405.31390	2.6
423.32288	7.8
441.33670	4.0
446.89340	1.1
459.34698	2.0
497.36221	3.7
514.50513	1.7
515.37311	100.0
516.37946	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03937	2.7
53.73293	0.9
55.01853	3.0
55.05513	19.0
57.03442	7.4
57.07074	1.8
59.04977	0.9
59.81856	0.8
65.03934	3.0
67.05505	58.8
69.03402	0.9
69.06718	1.4
69.07069	15.1
69.28194	5.0
69.28615	5.0
71.01350	1.2
71.04990	3.6
71.59595	0.8
77.03905	1.1
79.05494	54.4
81.03410	2.0
81.07059	41.5
83.04975	8.5
83.08620	4.5
85.06525	3.1
91.05479	30.2
93.07045	60.5
95.04977	8.8
95.08611	26.4
97.06544	10.4
97.10172	8.1
99.08073	1.6
105.04516	1.2
105.07027	19.2
107.04945	1.6
107.08597	35.3
109.06515	1.6
109.10163	12.2
111.08109	2.0
117.07017	11.4
119.08588	16.7
121.06499	1.6
121.10153	18.0
123.11713	2.5
125.09612	1.8
129.07002	3.5
129.61783	0.9
130.07803	1.5
131.08574	13.6
133.10127	9.8
135.08118	1.4
135.11697	39.3
135.12723	2.0
137.09624	1.1
141.07008	1.6
143.08556	6.0
145.10127	17.1
147.11708	6.5
149.13228	5.1
151.11180	0.9
153.12744	3.7
155.08601	2.1
157.10141	4.7
159.11700	9.1
161.13261	3.6
163.11212	3.8
165.12767	1.1
169.10120	2.5
171.11694	4.1
173.13248	6.9
175.14848	2.0
181.10135	1.3
181.12221	5.7
183.11674	3.2
185.13315	4.0
187.14842	3.6
197.13318	1.7
199.13216	1.1
199.14905	2.1
209.13293	1.7
211.14902	1.6
213.16449	1.3
223.14787	1.0
225.16438	1.2
236.17853	1.0
261.22125	3.2
276.92859	1.1
299.23587	1.5
311.23737	1.5
317.24564	1.1
335.25964	1.2
405.31378	2.4
423.32584	7.3
441.33594	3.2
459.34763	1.2
497.36166	3.6
515.37329	100.0
516.37512	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
55.05508	20.6
56.17208	2.9
57.03433	10.7
61.02916	4.0
65.03920	3.9
67.05503	83.3
69.03421	10.3
69.07075	20.5
69.35541	8.0
69.35943	25.3
71.04984	5.2
79.05491	55.1
81.03434	5.5
81.07057	100.0
83.04986	5.8
83.08623	11.4
84.36357	3.4
85.02912	7.9
91.03958	3.2
91.05489	46.7
93.07043	71.9
94.49117	3.3
95.04953	12.2
95.08607	68.3
97.06512	5.9
97.10184	5.3
98.20583	3.0
99.64388	3.0
102.88644	3.5
105.07031	36.9
107.04949	4.9
107.08591	37.8
109.06534	8.7
109.10148	35.1
117.07029	19.5
119.08580	29.3
121.10136	41.6
123.04306	3.3
123.11700	16.7
129.07010	4.8
131.08569	34.2
133.06549	3.4
133.10158	20.0
135.11693	29.6
137.13269	5.2
139.11156	2.9
141.06950	3.7
143.08626	7.8
145.10115	25.4
147.08090	3.7
147.11693	11.0
149.13246	21.1
155.08557	4.0
159.11722	21.8
161.09596	4.0
161.13295	11.9
163.14868	11.9
169.10156	3.7
171.11681	3.8
173.09557	3.3
173.13248	16.0
175.14812	6.1
177.12701	3.4
177.16350	4.8
185.13376	3.8
187.14844	11.9
216.86737	3.3
243.21111	26.1
261.22113	71.5
279.23248	4.5
303.23117	3.8
335.25888	9.9
350.16125	3.7
353.27042	16.1
369.24265	5.0
461.28738	4.3
479.30298	5.6
515.36737	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	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17651	3.0
54.60681	3.2
55.01864	4.0
55.05525	19.0
57.03436	9.7
61.02923	8.6
63.73395	3.1
67.05511	73.4
69.03421	9.6
69.07079	19.5
69.52411	20.7
69.52834	7.1
70.15605	3.1
73.02922	5.1
75.18916	3.1
79.05496	46.5
81.03416	12.5
81.06593	5.7
81.07062	91.4
83.04993	5.6
83.08620	12.2
85.02894	9.2
91.03967	4.5
91.05485	32.7
93.07055	44.2
93.37525	3.2
95.04966	11.1
95.08611	54.2
97.02890	7.8
97.06549	6.7
98.20789	7.1
99.08098	4.4
105.07041	27.0
107.08607	26.4
109.06523	9.8
109.10154	21.2
111.08102	3.4
117.07024	14.0
118.87961	3.0
119.08611	26.7
120.61549	3.0
121.10151	27.5
123.08035	4.4
123.11735	12.3
127.03925	4.1
129.06981	7.6
131.08569	21.0
133.10146	14.4
135.11688	18.3
137.09566	5.4
137.13286	3.7
143.08569	6.7
145.10152	18.4
147.08067	4.5
147.11691	14.9
149.09584	4.5
149.13254	12.7
157.10182	6.6
159.11711	16.8
161.13278	9.3
163.14838	6.7
169.10074	3.9
173.13316	16.5
181.12300	3.2
185.09566	4.0
185.13255	4.0
187.14830	7.5
201.16412	3.2
201.50897	3.1
243.20996	6.8
261.22147	31.7
279.23239	3.8
285.22040	4.0
303.23172	6.3
335.25784	16.0
345.24371	7.4
353.26816	13.3
369.24127	8.7
405.26471	4.5
419.28070	6.6
443.27655	6.3
480.30231	4.5
487.47409	3.3
497.30902	6.6
515.26294	100.0
515.32922	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68658	5.0
53.03949	5.1
55.05503	25.0
55.94813	3.8
57.03461	9.2
57.07087	5.4
57.58843	4.8
61.02919	8.1
63.11647	4.5
66.55711	4.2
67.05508	91.7
69.03413	17.5
69.07070	25.4
70.73228	12.8
71.04993	5.5
73.02901	4.2
75.86823	3.9
79.05493	51.2
79.30721	4.2
81.03405	14.0
81.06583	7.9
81.07054	100.0
81.88071	4.5
83.04968	7.4
83.08623	15.1
85.02885	9.2
91.05481	44.1
93.07049	65.2
95.04969	12.7
95.08611	69.6
97.02885	9.6
97.06521	10.2
97.10175	5.8
99.08075	5.7
105.07027	46.1
107.04943	9.4
107.08577	42.5
109.06533	12.7
109.10152	30.1
111.08102	5.9
113.00033	5.1
117.07016	21.8
119.08594	26.3
121.10149	31.5
123.08076	6.9
123.11710	14.4
125.09628	4.7
127.03851	4.3
129.07030	7.3
131.08578	33.1
133.10153	23.2
135.08012	4.5
135.11687	28.3
137.09680	4.3
137.13232	4.6
143.08568	9.4
145.05020	4.9
145.10133	25.6
147.11676	21.4
149.09645	7.3
149.13249	19.0
157.10141	10.2
159.11736	23.7
161.09665	7.5
161.13245	13.0
163.14810	13.4
171.11646	7.0
173.09740	4.5
173.13245	12.7
175.11255	5.0
175.14853	4.9
177.12772	5.4
185.13350	6.2
187.14844	10.9
199.11172	5.5
243.21021	15.7
255.96376	5.5
261.22168	56.6
285.22263	7.1
301.21301	7.8
303.23193	6.3
335.25784	9.5
345.24121	8.3
353.26862	16.1
358.16525	6.3
358.67099	5.5
369.24237	9.3
387.25616	5.2
411.35083	4.4
419.27759	8.3
425.19473	4.3
443.27872	5.5
461.29004	10.5
497.30988	9.5
515.24316	12.7
515.37170	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.01870	2.6
55.05514	21.9
57.03443	8.9
57.07090	3.8
59.04964	1.8
61.02920	7.7
65.03938	2.4
67.05506	93.8
69.03417	8.6
69.07073	20.3
69.36050	17.4
69.67020	1.6
71.01347	1.8
71.04977	4.6
73.02901	3.0
79.05059	3.2
79.05495	57.8
81.03419	5.7
81.07058	100.0
83.04987	5.1
83.08613	10.2
85.02914	8.4
85.06517	3.1
88.47079	1.7
91.03960	3.1
91.05483	39.4
93.06466	3.8
93.07047	66.2
93.15308	1.7
93.61954	1.7
95.04951	8.9
95.08611	73.1
97.02892	5.8
97.06522	6.7
97.10168	6.7
99.04443	1.9
99.08102	4.3
101.80232	1.7
102.71518	1.6
103.03907	2.9
105.07034	29.4
107.04957	3.1
107.08603	48.8
109.06520	6.0
109.10152	39.0
110.09422	1.6
111.08127	3.0
115.05468	2.3
117.07015	17.2
118.35660	1.8
119.08595	24.3
121.10144	33.6
123.08089	5.0
123.11707	17.6
125.09584	2.7
127.03893	2.3
128.06168	2.2
129.06999	7.7
131.08577	28.4
133.06474	2.4
133.10147	21.0
135.08089	3.4
135.11693	29.5
137.09648	2.1
137.13226	5.5
143.08571	6.7
145.10124	19.4
147.11668	16.8
149.09651	3.3
149.13268	17.8
151.07574	2.5
155.08514	3.2
157.10162	8.2
159.11697	19.5
161.13306	11.7
163.11137	4.1
163.14845	12.3
165.12672	2.3
171.11716	4.3
173.13275	20.4
175.07564	2.5
175.14883	3.3
177.16264	2.6
183.11691	2.3
185.13292	5.7
187.14830	8.7
189.16403	2.2
199.14861	3.2
201.16429	3.6
205.15863	2.7
215.17772	3.4
233.22714	3.5
236.47911	1.8
243.21114	18.9
261.22156	61.1
279.23260	4.2
301.21786	2.2
303.22928	2.8
317.17679	1.8
335.25815	20.7
345.24252	4.6
353.26910	14.6
369.24371	4.9
387.25275	3.0
405.26498	1.9
419.27850	7.1
461.29144	3.0
497.30737	6.4
515.37988	13.2
528.00751	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05516	2.6
56.05040	1.2
64.79691	0.5
67.05496	0.9
69.03436	1.3
69.07075	6.6
70.06599	2.3
70.56174	0.5
71.60250	1.0
72.08160	18.4
74.06096	0.6
75.05602	2.0
79.05493	0.7
79.14205	0.6
81.03422	1.3
83.04967	0.7
83.08641	0.9
84.04518	1.5
84.08148	0.9
85.02910	1.5
86.06075	4.4
86.09710	100.0
87.05600	1.8
87.06725	2.1
87.10016	1.0
90.33062	0.6
91.05481	1.3
93.07037	0.8
95.04945	0.7
100.07641	0.5
100.11247	4.4
101.07155	0.7
105.07047	1.1
107.05008	0.6
109.02826	1.1
111.04428	0.7
114.05544	9.5
119.08579	1.4
121.02847	1.0
129.10181	0.6
133.06090	13.3
133.10156	0.9
137.05991	1.2
141.04120	0.8
143.05650	88.2
143.11797	12.5
144.04044	1.4
145.02843	0.8
147.04414	1.0
147.08072	1.5
147.11751	0.8
165.09114	2.1
167.07083	1.7
171.07678	3.6
171.11354	1.3
175.11191	0.9
177.05457	1.0
182.15465	0.8
199.18182	0.6
207.06570	1.9
210.14705	0.9
213.15921	0.8
215.10284	1.6
216.13957	0.6
232.12924	13.2
235.07500	0.9
238.15428	0.7
239.38423	0.7
256.16586	17.6
270.18054	1.3
284.16064	33.4
295.09760	0.7
367.07483	0.8
383.22806	3.0
497.22058	1.2
515.14319	1.3
515.22119	3.8
515.37793	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54448	0.9
54.40188	0.8
70.06593	1.3
71.48410	1.3
71.48759	2.1
74.02514	1.1
85.02896	2.1
89.03934	1.2
91.05493	1.8
97.43376	0.9
99.01604	1.0
108.98564	0.9
117.07040	1.2
118.06541	20.2
118.73451	1.2
130.06560	1.9
132.08055	6.3
142.06575	2.2
143.05675	1.6
143.07294	1.7
144.08104	9.3
145.02916	1.0
146.06013	64.6
159.09163	5.4
163.03941	3.4
170.04706	1.2
170.05956	5.4
188.07074	100.0
189.07413	1.1
205.09731	43.7
295.05991	2.1
356.19940	1.0
515.18134	2.7
515.79022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.96556	0.6
56.97585	0.3
62.88515	0.3
65.03962	0.4
67.05487	1.0
69.03440	0.4
70.06589	0.6
71.04992	0.9
71.20171	0.7
79.05494	0.3
81.03407	0.8
81.07051	1.1
83.04974	0.3
85.02917	1.7
86.09682	0.3
87.06702	0.5
91.05473	1.1
93.07024	0.4
95.08580	0.6
97.02895	0.5
105.07003	0.5
107.04935	0.6
109.02880	0.6
117.03396	0.5
119.04932	0.5
119.08580	0.4
124.41499	0.3
127.03923	0.3
131.04951	0.4
131.08540	0.3
134.27988	0.3
135.04434	0.8
137.02374	0.6
137.05978	1.7
139.67178	0.2
141.01775	0.3
143.05647	16.0
145.02826	0.4
145.06558	0.3
146.49301	0.3
147.04399	0.6
149.02261	0.3
151.03847	0.3
161.02364	0.5
161.05943	0.4
163.03947	1.4
164.10716	0.5
165.01888	0.4
167.07001	0.4
173.09618	0.3
175.03922	1.1
176.01105	0.3
177.01860	0.8
177.05507	0.9
179.03459	0.4
179.07034	0.3
192.10214	0.7
193.10551	0.4
201.05521	0.4
207.06468	2.0
208.03746	0.3
219.06390	0.5
233.09607	0.6
239.07098	0.3
255.06586	0.7
261.09225	0.7
265.04877	0.5
266.05905	0.3
269.08047	0.3
271.06006	0.3
279.10172	0.5
283.03268	0.4
283.06070	3.0
287.05536	0.6
289.03470	0.5
293.04358	0.3
295.05988	0.9
297.07761	0.8
297.11154	0.4
299.05508	13.2
300.05939	0.3
307.09558	0.6
309.07666	0.4
310.04822	0.3
311.05496	4.1
311.09195	1.3
320.06799	0.3
323.05542	1.8
323.12521	0.4
324.06293	2.7
324.12579	0.8
325.07159	1.1
325.10651	0.6
329.11435	0.4
335.09076	4.5
335.15521	0.3
337.07083	1.3
338.07797	3.7
353.10190	100.0
354.10510	2.3
389.24655	0.3
429.17880	0.5
455.19897	0.5
473.20218	0.5
515.11523	2.7
515.19653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.8
55.05516	39.0
57.03431	25.3
60.56544	8.3
65.16494	7.4
67.05513	84.0
68.05831	8.3
69.03450	7.0
69.07058	26.9
69.28563	86.4
73.02962	7.2
79.05502	52.7
81.03420	49.0
81.07059	100.0
83.04993	20.2
83.08623	34.0
85.02911	24.1
85.06583	8.9
91.05485	42.7
93.07047	66.0
95.04981	18.6
95.08623	37.8
97.06513	16.4
98.21502	17.5
105.07021	29.0
107.08582	39.0
109.10152	26.8
111.08048	14.3
117.07024	11.5
119.08577	25.1
121.10171	22.6
123.11647	12.5
129.05467	12.6
131.08588	26.1
133.10114	13.8
135.11642	11.8
135.51543	8.2
147.11705	13.6
149.13280	15.2
157.10109	11.4
159.11691	12.7
172.95244	25.0
173.11681	9.4
190.96364	14.6
193.12297	42.6
195.13846	15.1
211.13373	50.6
211.26312	7.2
227.69469	8.3
229.14352	8.5
243.74998	7.2
267.15942	20.3
269.17505	78.9
274.73474	8.4
285.16928	38.6
291.57367	7.6
318.38718	9.2
424.27914	11.0
451.57761	11.1
458.19571	25.1
461.28949	22.9
479.30029	64.8
514.22339	25.6
514.35931	20.8
515.37695	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	515.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
61.00413	0.4
67.05493	1.1
69.03418	1.4
69.07066	0.7
70.06589	2.0
71.04987	0.9
71.60780	0.8
72.08183	0.5
79.05474	0.8
81.03448	0.9
81.07064	1.2
84.04478	0.5
84.08134	1.3
85.02915	2.7
86.09695	1.4
91.05493	0.7
95.04966	1.0
95.08634	0.7
97.02888	0.9
98.97565	0.4
99.04488	0.5
100.11255	0.6
105.07024	0.6
107.04972	0.5
107.08576	0.8
109.02842	1.1
109.06497	0.6
111.04437	0.9
119.08603	0.7
121.06512	0.5
121.10188	0.7
123.04420	0.5
127.03910	0.8
133.10088	0.5
137.02373	0.8
137.05872	0.7
137.30092	0.4
137.56084	0.4
140.07036	0.6
143.05661	7.1
145.06491	0.5
147.04401	1.0
147.11670	0.5
149.05972	0.5
161.02359	1.0
163.03949	0.8
165.01956	0.6
165.12735	0.5
167.06975	0.6
175.03961	0.6
177.01926	0.7
177.05521	0.7
179.03242	0.5
187.11330	0.5
201.05557	0.5
207.06535	2.0
210.14706	0.6
219.06554	0.6
227.07253	0.4
245.59087	0.5
255.06516	1.1
257.08447	0.5
261.09204	0.8
263.07175	0.5
265.04901	1.0
269.08173	0.6
271.06021	1.7
279.06512	0.6
283.05930	2.7
287.05396	0.9
289.08618	0.6
297.07593	1.1
299.05530	14.1
307.06116	1.0
307.09598	0.6
311.05630	4.6
311.08994	1.0
313.09464	2.1
321.07736	0.6
323.05515	1.8
324.06284	2.7
325.07001	1.9
325.10559	0.8
335.09256	3.1
337.07065	1.2
338.07986	3.2
353.10220	100.0
354.10492	2.0
471.22577	0.5
472.35599	0.5
483.19897	0.7
498.33963	0.6
515.21808	2.0
515.29126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65918	1.9
55.05503	2.3
57.03446	3.3
61.02941	2.7
66.53112	2.0
67.05499	9.7
68.16655	1.8
69.03438	5.0
69.07068	3.3
70.06586	7.1
70.59647	4.4
70.60046	4.8
71.04993	4.3
72.08163	2.4
79.05481	5.7
80.75505	2.0
81.02981	3.8
81.03425	43.5
81.07056	4.8
81.11481	2.0
83.04998	3.5
83.08627	10.6
84.04475	2.0
84.08144	2.7
85.02900	7.4
86.09704	4.6
91.05494	8.5
93.07038	5.6
95.04958	17.0
95.08617	12.6
97.02898	3.9
99.04460	2.1
105.07040	7.8
107.04937	4.5
107.08620	2.6
108.04469	3.5
109.02895	4.4
111.04457	2.7
111.08071	3.5
119.05022	2.3
119.08575	7.4
121.10168	3.9
123.04447	3.2
124.07601	2.9
127.03968	3.4
129.06990	5.8
131.08575	4.7
132.77525	2.2
133.86610	2.0
137.06061	2.7
138.05548	2.6
140.07042	3.9
142.11758	2.2
143.05646	16.1
144.04066	4.0
144.06042	2.3
145.10129	2.6
147.04437	3.0
147.08014	2.5
147.11700	2.8
149.09645	4.0
157.10150	6.2
163.03918	2.9
164.10710	10.6
167.07060	8.5
169.04955	1.9
175.11226	5.3
177.05476	6.5
192.10176	12.1
193.12233	34.2
207.06541	4.6
211.08565	3.7
221.10791	2.1
225.10254	5.3
239.11818	7.6
240.08815	2.1
241.09834	2.4
253.09683	4.9
263.10339	3.3
267.11475	12.7
267.15961	28.7
285.12189	3.0
285.16986	41.9
291.09991	3.0
295.10770	6.6
299.10123	2.4
309.17020	7.3
313.11847	44.0
323.12494	16.4
341.11346	7.9
355.12869	3.2
373.13962	100.0
374.14145	4.1
429.21149	2.9
471.21606	2.1
482.19257	3.3
496.20840	3.5
514.22009	9.0
515.21356	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	514.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06920	2.5
53.03947	2.5
53.76968	2.5
55.05505	4.8
57.03429	6.3
61.02931	3.1
63.41762	2.4
63.91520	2.5
66.88596	2.5
67.05512	11.3
69.03419	8.1
70.06594	8.4
70.28764	11.9
71.04959	4.9
79.05493	10.2
81.03419	100.0
81.07053	10.9
83.04971	7.1
83.08614	25.6
85.02913	6.1
86.09703	7.1
91.05482	17.4
91.25022	2.6
93.07050	6.4
95.04979	34.9
95.08612	7.9
98.21583	3.0
105.07027	9.6
107.04931	7.1
107.08591	6.5
108.04552	2.6
109.02871	4.5
109.06507	4.0
109.10174	2.8
111.04448	2.9
111.08080	10.2
119.04980	4.5
119.08592	15.6
121.10169	5.9
124.07595	2.9
129.07016	6.3
131.08574	9.7
133.06500	5.3
133.10127	8.0
143.05611	16.4
145.10168	3.1
147.04436	3.5
147.11702	7.6
149.09618	4.6
157.10123	11.5
159.74324	2.6
164.78221	2.8
167.06996	3.2
175.03870	3.5
175.11229	13.3
192.10237	4.7
193.12236	79.4
199.99901	3.1
207.06502	8.1
211.13361	5.4
267.13913	1.4
267.15918	59.6
285.16959	86.3
287.09946	2.6
309.17026	11.7
311.17764	2.7
323.12238	5.6
347.86450	2.7
353.10165	2.7
363.18082	3.4
373.14014	4.8
396.97900	3.3
406.80307	2.9
411.19904	3.2
429.21191	8.2
482.18863	3.0
514.20392	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	514.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39050	0.2
67.05457	0.6
69.03404	0.3
69.07022	0.7
69.20558	0.2
70.06545	0.7
70.66631	0.3
70.66989	0.7
71.04972	0.3
80.04967	0.2
81.03426	1.7
81.07017	0.4
83.08597	0.3
85.02879	0.4
90.43587	0.2
91.05434	0.4
94.06532	0.3
95.04924	0.8
95.08578	0.4
98.06020	0.2
105.06977	0.2
107.05025	0.2
108.04498	1.6
111.08056	0.4
120.04372	0.3
122.05972	0.8
129.06956	0.3
130.06538	0.2
137.05957	0.2
138.05470	0.8
140.07095	1.4
143.05615	1.0
146.05988	0.8
147.04344	0.2
147.11684	0.3
148.03955	0.3
148.07567	0.8
150.05499	0.2
157.10068	0.3
164.10690	0.4
166.04993	0.6
168.06544	2.4
174.05492	0.5
175.03931	0.2
175.11197	0.4
192.10205	1.3
193.12254	1.3
194.09706	0.3
206.08047	1.0
207.06552	0.3
209.08369	0.3
211.08678	3.4
211.12166	1.1
212.09273	1.0
213.10228	0.6
221.10732	0.8
222.09198	1.0
223.08635	0.6
223.12279	0.5
224.11011	1.3
225.10225	3.3
226.08609	0.3
226.10864	0.4
227.08089	0.3
237.10092	0.4
239.08055	0.3
239.11795	7.4
240.08929	0.4
240.12515	0.4
241.09631	1.0
241.13362	0.7
249.10205	0.8
250.08612	1.1
251.08206	0.3
251.11806	0.4
252.08543	1.4
253.09758	4.6
254.10376	0.3
256.12033	0.3
257.12857	0.6
267.11304	8.6
267.15704	1.2
268.12030	0.5
269.12836	1.1
280.08493	0.4
284.11591	0.4
285.12308	1.0
285.16940	1.6
291.09750	0.4
295.10800	4.4
296.08914	0.4
297.12378	0.6
298.10822	0.3
310.10254	0.3
313.11816	34.0
314.12161	0.8
323.09897	0.5
323.12994	0.3
327.13452	0.6
341.11270	3.5
355.12988	0.6
359.12476	0.4
373.13950	100.0
374.14352	2.8
441.41971	0.2
464.18198	0.3
482.19229	1.3
514.21588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26777	1.1
57.33355	1.0
67.05502	2.4
68.05008	1.7
69.03412	1.4
69.07066	11.9
70.06594	2.8
70.92120	2.2
70.92513	2.2
72.37489	1.0
79.05498	1.1
80.05033	3.3
81.98135	1.0
83.04948	1.1
84.08139	1.8
85.02900	2.1
86.09708	1.8
91.05473	0.9
92.02638	1.2
94.06569	16.0
95.04971	3.8
97.02922	2.0
97.06519	1.6
98.06069	1.8
98.09680	1.7
104.04977	3.4
105.05794	1.7
105.06965	1.2
108.04476	33.8
112.07614	3.8
118.06561	1.1
118.90282	1.0
122.06027	49.3
123.04354	2.2
129.68106	1.0
133.05217	1.3
137.06000	1.3
139.06274	1.1
140.07062	98.9
141.07401	1.1
143.05635	5.7
144.04448	2.1
145.05141	1.5
146.06004	57.6
147.04427	1.3
148.07538	1.2
150.05534	4.6
152.07092	1.3
159.09132	1.2
162.05536	2.9
163.03967	1.4
168.06554	28.2
172.03944	12.9
173.04706	8.8
173.05800	0.9
174.05504	73.5
175.06006	1.3
176.07101	1.4
190.04968	2.1
191.05751	22.3
192.06537	8.0
202.69408	1.0
204.06549	18.6
206.08134	15.4
209.42717	1.1
224.06764	1.2
225.10300	4.0
237.10316	1.2
239.11850	1.7
252.09077	1.4
253.09770	4.0
255.11322	1.5
267.11304	4.6
268.43253	1.0
281.09213	5.3
285.12341	12.6
295.10815	5.1
297.12299	2.9
298.10526	1.7
299.10236	12.7
300.11038	2.0
313.11798	64.5
314.12009	1.5
323.10202	5.2
324.11087	3.3
331.12891	15.6
341.11331	43.1
345.14465	2.1
356.13577	3.6
359.12338	2.9
373.13916	13.6
438.20514	1.2
440.18176	9.7
464.18298	6.2
482.19202	100.0
483.19452	4.0
496.21042	6.6
500.20209	9.4
514.21118	1.7
514.29742	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.4
56.05025	0.9
60.00590	0.7
65.03925	1.0
66.04710	1.1
67.05492	3.8
68.05029	1.1
69.03431	2.9
69.07061	10.1
70.06596	6.0
71.14283	1.6
72.08135	1.9
72.29278	0.9
79.05485	1.6
80.05025	0.8
81.03417	1.5
81.07041	0.9
84.08104	1.5
85.02901	3.8
86.06014	1.1
86.09696	2.9
87.04458	0.9
89.03953	1.1
91.05482	2.8
93.05811	1.3
93.07024	1.1
94.06573	13.7
95.04948	2.8
95.08588	1.2
96.08120	0.9
96.45006	0.8
97.02893	0.9
97.06508	1.0
98.06069	2.3
99.34062	0.8
100.11259	0.9
104.04965	2.4
105.05766	1.2
108.04478	20.9
108.08099	1.2
109.02903	1.2
112.07587	2.2
117.05754	1.0
118.06537	1.3
119.04936	1.8
120.04514	0.9
120.08119	0.9
120.09582	0.8
122.06028	41.4
123.04413	2.0
124.07562	1.8
127.03900	1.0
129.40730	1.0
131.04897	0.9
133.06458	0.8
134.06120	1.0
137.06033	1.3
138.05455	1.6
139.06169	1.1
140.07066	68.6
143.05666	5.8
144.04352	2.8
145.02844	1.2
145.05161	1.3
146.06015	70.7
147.04448	1.5
150.05524	3.5
152.07083	2.1
154.08609	0.8
162.05525	2.2
164.07001	1.1
167.07103	4.4
168.06580	20.0
172.03935	15.5
172.43454	1.0
173.04745	8.5
174.05513	52.4
175.03880	2.0
176.07085	3.9
177.05403	1.2
178.05106	1.4
190.04977	1.7
191.05775	26.0
192.06551	7.6
195.97173	0.8
204.06567	19.8
205.07259	2.5
206.08119	10.5
207.06546	3.9
211.08626	1.1
212.09471	2.2
213.10281	1.0
215.29829	0.9
222.09512	1.1
225.10242	7.6
227.08084	1.0
237.10272	4.0
237.14378	1.8
238.10931	2.4
239.08133	2.0
239.11879	4.2
240.08960	3.0
241.09737	2.2
246.14903	4.5
252.09001	1.8
253.09734	8.7
254.10347	1.7
257.13016	1.0
265.09732	3.5
267.11313	8.0
273.12424	1.0
281.09235	15.8
285.12354	8.8
295.10760	14.7
296.11777	1.2
297.12430	9.6
298.13321	1.7
299.10245	26.8
300.11063	3.4
303.05240	1.6
313.11813	46.0
323.10208	11.4
324.11124	11.1
331.12888	10.9
341.11322	100.0
342.11530	3.2
345.14639	1.4
356.13742	9.8
359.12491	2.4
371.70804	0.9
373.13922	25.2
374.14090	1.3
377.01926	2.4
418.97467	1.0
436.18640	1.4
440.18204	16.1
464.18246	8.3
481.52835	0.9
482.19235	70.8
483.19516	1.8
496.20862	20.3
500.20380	2.0
514.21521	1.1
514.33783	11.0
515.21356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40618	2.4
53.03942	8.9
55.01864	10.9
55.05509	35.0
56.65712	2.1
57.03437	46.8
57.07071	3.8
59.05008	2.6
61.02928	21.0
65.03930	3.8
67.05505	92.3
69.03426	34.1
69.07071	23.9
70.46899	9.2
71.01350	2.6
71.04993	27.6
73.02917	12.1
79.05490	86.1
80.35593	2.5
81.03415	35.7
81.07054	100.0
83.04981	14.9
83.08617	17.2
85.02906	41.6
85.06538	7.2
87.04458	4.8
91.03948	9.7
91.05477	71.4
93.07043	95.4
95.04977	17.6
95.08603	81.1
97.02895	34.8
97.06537	16.4
97.10183	9.0
99.04421	13.0
99.08093	8.5
101.02351	5.8
103.03947	5.5
105.07032	56.5
107.05016	6.4
107.08591	64.9
109.02901	12.0
109.06515	12.1
109.10151	32.5
111.04410	3.8
111.08077	9.4
113.09667	3.5
117.07006	21.4
119.08575	50.5
121.06545	4.6
121.10136	51.3
123.08071	7.9
123.11684	8.6
125.09612	8.9
127.03909	22.4
129.05482	7.6
129.06969	12.7
131.04956	3.0
131.08571	31.5
133.10129	44.5
135.08054	4.8
135.11684	37.8
137.09633	4.8
137.13242	2.8
143.08562	11.6
145.04945	3.8
145.10112	29.5
147.11693	32.9
149.09583	4.7
149.13246	24.3
151.11208	4.2
155.08548	4.1
157.10143	10.4
159.08029	4.5
159.11685	27.4
161.09630	2.9
161.13246	20.7
163.11218	5.6
163.14789	5.5
165.12819	3.6
169.10126	3.6
171.11710	10.2
173.13217	17.2
175.11182	3.2
175.14818	9.4
177.12798	6.3
179.14369	3.4
183.06543	3.0
183.11632	2.6
185.13280	7.2
187.14792	14.1
189.16391	3.5
191.14325	3.6
199.14836	7.9
201.16327	5.2
203.92450	2.4
205.15855	6.9
213.16518	4.0
217.19841	2.4
219.17459	3.5
221.19043	5.8
241.19458	11.5
251.16208	3.2
259.20551	39.9
269.17703	5.2
275.19931	4.3
277.21634	43.1
293.21143	4.4
301.21732	3.7
333.24179	8.0
351.25287	61.7
477.28595	4.5
478.28976	2.7
495.29156	6.7
513.31445	13.8
513.57324	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	513.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98559	0.8
55.01862	1.9
55.05509	12.7
56.53344	0.8
57.07080	5.0
65.03956	1.4
67.05505	22.3
69.03409	1.2
69.07068	8.7
70.06594	2.3
71.04983	1.8
71.08617	2.0
73.02915	1.1
79.05058	1.5
79.05492	17.1
81.03405	1.1
81.07057	22.1
83.04964	1.8
83.08628	5.9
85.02882	1.2
85.06521	1.8
88.07632	3.5
89.06026	3.6
91.05478	17.2
92.05757	1.0
93.07048	15.9
95.04949	2.8
95.08612	13.9
97.02887	0.9
97.06541	3.3
97.10172	4.1
102.09183	1.8
103.05487	1.1
105.06307	0.9
105.07029	19.4
107.08603	9.9
109.06519	0.8
109.10126	5.7
111.08080	1.0
115.05467	1.1
116.90206	0.7
117.07024	11.5
119.08578	13.2
121.06497	1.5
121.10121	5.4
123.08083	1.2
123.11786	0.9
125.09667	1.8
128.06204	2.9
128.43219	0.9
129.06993	12.5
129.32173	0.8
130.07820	1.2
131.08571	15.0
133.08607	1.5
133.10132	12.0
134.08958	0.9
135.08076	1.1
135.11707	6.0
141.01521	0.8
141.06995	4.1
142.07811	2.9
143.08563	15.4
143.09680	1.0
144.09294	1.4
145.10132	14.8
147.11664	5.1
149.09659	1.0
154.07770	1.2
155.08562	6.5
156.09315	1.9
157.10135	14.3
159.11688	12.3
161.09697	1.0
161.13257	1.4
163.11205	1.0
165.06969	1.0
167.08589	3.0
168.09363	1.2
169.10123	9.9
171.11684	12.8
173.13268	6.9
175.14919	1.2
179.08627	1.1
180.09247	1.3
181.10149	5.4
182.10963	0.9
183.11685	12.4
185.13284	8.8
187.14861	3.3
193.10127	1.0
195.11684	4.1
197.13252	7.0
199.14728	4.2
201.16386	0.9
207.11667	1.5
209.13257	4.1
211.14836	3.7
213.16479	1.8
221.13380	1.8
223.14799	3.3
225.16443	2.2
235.14865	1.5
237.16422	2.2
239.18065	1.2
255.17635	1.2
256.26471	4.3
257.26733	2.5
259.20639	1.8
261.18439	1.6
265.19464	1.1
275.20160	1.4
279.21301	1.5
283.20761	1.5
283.26450	4.6
284.26642	3.7
295.20627	1.0
297.22394	1.1
309.22122	1.6
315.23026	1.8
323.23715	1.8
327.23373	1.2
328.20599	1.1
353.28580	0.9
393.31500	2.0
403.29916	6.1
411.33032	1.1
411.82794	1.3
421.31006	13.3
439.32129	6.6
448.96933	0.8
457.33105	2.8
459.32928	1.0
477.33264	1.7
495.34711	7.0
513.35773	100.0
513.50708	17.7
514.36139	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65760	1.7
53.03949	2.7
55.01876	14.7
55.05264	2.2
55.05514	29.7
57.03439	25.3
58.58808	1.5
59.04989	5.2
67.05509	100.0
69.03427	6.5
69.07074	18.7
70.66769	6.0
71.05000	6.4
73.02917	7.4
79.05498	27.7
81.03437	8.9
81.07062	60.2
81.66360	1.7
83.04981	7.7
83.05429	1.8
83.08614	17.8
85.02911	7.0
85.06539	4.8
87.04455	3.1
87.14627	1.7
91.05479	19.3
93.07049	27.1
95.04982	6.5
95.08610	18.5
96.79360	1.6
97.02894	2.4
97.06540	6.8
97.10171	15.2
99.08090	2.2
102.87167	1.6
105.07028	14.0
107.08591	19.6
109.06506	2.9
109.10164	65.3
111.08082	6.3
116.04736	7.7
117.07015	5.8
119.08604	10.1
121.06512	1.9
121.10153	7.4
122.10917	1.6
123.11733	3.2
125.09631	12.3
129.05495	38.5
129.06985	2.9
131.08565	6.4
133.10132	6.0
135.11716	6.1
137.09621	4.2
143.07063	7.0
144.07925	1.9
145.10136	4.4
147.11688	3.0
149.13246	11.2
151.11140	2.1
155.10675	3.6
157.08615	4.8
157.10077	3.0
159.11732	5.3
163.11221	4.7
173.11751	21.1
177.12691	2.0
185.11752	7.6
193.12228	2.4
195.13824	8.3
199.13246	2.3
200.14258	2.1
229.07538	1.9
229.14360	42.9
257.17487	2.0
267.15503	2.0
269.17358	9.0
297.16989	2.3
358.16159	1.9
423.27460	20.2
495.30093	2.2
513.29266	13.6
513.36188	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	513.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.0
55.01859	10.5
55.05514	32.9
55.65479	2.1
55.70041	2.0
56.36385	2.1
57.03437	49.5
57.07068	3.0
57.21235	1.9
59.04996	3.5
60.65473	2.3
61.02923	19.4
65.03939	5.7
67.05503	88.5
68.28896	2.2
69.03425	32.9
69.07066	24.7
70.34827	6.5
70.35213	4.4
71.01339	2.9
71.04995	24.3
73.02903	9.9
73.28949	2.2
79.05490	80.4
81.03419	31.3
81.07050	99.6
83.04971	10.0
83.08621	15.2
85.02905	38.6
85.06525	6.0
87.04442	4.5
91.03941	8.7
91.05476	63.1
93.07043	100.0
93.07629	5.3
95.04954	15.8
95.08602	70.2
97.02894	34.7
97.06531	12.1
97.10163	9.7
99.04450	9.9
99.08114	5.6
101.02364	10.4
103.03924	7.5
105.07031	58.0
107.04941	4.2
107.08591	53.3
109.02859	9.8
109.06519	11.2
109.10145	38.9
111.04439	7.1
111.08083	6.1
113.09596	4.0
115.03950	2.4
115.05470	2.9
117.07000	21.1
119.08572	41.8
121.06494	4.4
121.10135	48.2
123.08065	5.7
123.11679	7.5
125.09625	9.1
127.03926	17.5
129.05499	13.1
129.06990	11.3
131.08563	29.3
133.10129	36.4
135.08035	6.4
135.11690	34.5
137.09596	6.3
139.11226	3.0
140.10205	2.3
142.07823	3.3
143.08545	10.4
145.04950	4.3
145.10121	26.8
147.11681	35.9
149.09644	5.3
149.13266	28.6
151.11134	3.5
153.12782	2.7
157.10152	8.9
159.11664	22.4
161.13263	15.1
163.11223	5.5
163.14861	4.1
165.12801	5.0
171.11691	11.4
173.11832	4.1
173.13188	13.8
175.14824	8.0
177.12723	5.7
177.16566	2.5
183.06499	2.8
183.11754	3.2
185.11794	2.7
185.13216	13.2
187.14813	10.4
189.16428	3.7
191.14308	5.3
193.12236	4.3
195.13710	2.4
199.14795	7.3
201.07416	2.9
201.16409	4.1
205.15897	7.4
229.14281	6.4
231.21048	3.9
241.19417	14.2
257.19156	2.8
259.20538	38.6
269.17514	3.5
275.19968	3.8
277.21634	42.7
293.21072	4.3
315.23380	3.1
333.24246	7.7
343.22891	2.6
351.25314	63.5
382.31497	2.6
513.29932	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	513.306
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.13770	1.9
53.03952	2.8
55.01864	2.3
55.05515	11.0
55.70476	1.9
57.03429	8.3
58.04626	1.9
61.02928	16.4
67.05508	23.2
69.03419	5.0
69.07064	8.1
70.26596	9.7
73.02914	7.3
79.05499	30.1
81.03433	2.6
81.07058	30.0
83.08610	7.5
85.02917	11.8
85.06533	3.1
91.03948	6.0
91.05488	25.4
93.07050	39.8
95.04976	5.0
95.08614	20.9
97.02896	7.5
97.06564	2.4
99.08080	2.4
105.07043	22.4
107.08607	24.3
107.09318	3.2
109.10154	8.8
109.10866	1.8
117.07002	9.1
118.15540	2.0
119.08582	25.0
121.10151	26.2
129.05447	2.2
129.07007	6.1
131.08557	15.5
133.10129	23.0
135.11703	22.3
137.09587	2.7
143.08549	8.9
145.10139	10.7
147.11699	20.4
149.09692	2.1
149.13290	14.0
157.10130	6.1
159.11691	10.9
160.35023	1.9
161.09666	2.0
161.13271	20.1
163.11180	2.3
163.14812	5.8
171.11699	8.1
173.13254	7.7
175.14821	8.2
175.18730	1.9
185.13223	6.5
187.14859	3.4
199.14861	5.0
221.15385	2.2
231.17447	2.3
231.21150	3.3
241.19534	20.4
259.20575	47.7
271.20630	2.7
277.21658	6.3
301.21552	2.4
333.24332	6.7
349.23859	4.7
351.25317	100.0
385.23611	2.7
403.24634	3.1
429.26749	3.3
441.26248	5.4
459.27191	2.6
465.11710	2.2
477.28296	2.6
495.29166	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03585	1.4
53.03937	2.7
55.01859	1.3
55.05517	11.0
57.03426	5.6
57.07070	3.0
59.26356	1.2
61.02930	15.2
65.03923	1.2
67.05502	28.6
69.03424	5.3
69.07077	8.9
71.01337	1.6
71.04997	1.4
73.02916	5.6
79.05486	30.0
81.03423	4.4
81.07056	29.6
83.04998	1.6
83.08610	4.8
85.02908	13.2
85.06528	1.8
89.71424	1.1
91.03973	7.4
91.04430	1.1
91.05479	23.9
93.06477	2.7
93.07046	40.6
95.04980	6.7
95.08600	22.8
97.02887	9.1
97.06505	2.2
97.10129	1.4
99.08094	3.2
105.07030	28.9
107.05013	1.5
107.08596	28.9
109.06495	2.6
109.10160	10.6
115.05470	1.3
117.06997	8.0
119.08580	26.8
121.10149	20.2
123.08078	2.5
123.11714	1.6
125.09671	1.3
127.03916	2.5
129.07019	5.9
131.08546	12.2
133.10129	25.2
135.08072	2.4
135.11682	19.8
143.08554	7.2
145.06401	1.2
145.10133	14.2
147.11694	24.8
149.13263	16.1
151.11172	1.5
155.08519	1.8
157.10120	7.4
159.07935	1.2
159.11684	13.5
161.09654	1.5
161.13248	19.6
163.11165	2.5
163.14789	5.9
169.10165	1.7
171.11713	9.1
173.13292	9.0
175.11197	2.2
175.14835	12.2
177.12683	1.5
183.11726	2.1
185.13240	6.2
187.14795	1.9
189.12787	1.5
197.09618	1.3
197.13310	1.7
199.14824	5.3
200.97040	1.3
203.14326	1.2
213.16341	3.3
217.15892	1.4
217.19490	1.7
231.17551	1.3
231.21075	4.5
241.19521	18.9
257.19064	2.6
259.20578	47.3
261.22144	1.9
271.20462	1.4
277.21594	8.1
289.21555	1.6
301.21436	1.8
303.98627	1.2
333.24234	5.5
339.23111	1.6
349.23697	4.5
351.25284	100.0
352.25604	2.2
363.25262	2.7
367.22751	3.7
375.25394	2.4
385.23425	1.5
417.26044	1.7
441.26187	5.1
459.27405	3.9
477.28470	3.4
495.29535	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	512.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05490	0.3
57.02599	0.3
57.03440	2.1
61.02911	0.4
64.37311	0.2
69.03428	2.6
69.07038	0.4
70.06604	1.8
71.04987	1.8
71.08631	1.2
71.27094	0.7
71.95975	0.3
79.05497	0.3
81.03411	2.1
81.07068	0.8
82.06617	0.3
83.04975	0.6
84.08106	0.3
85.02902	3.2
86.09695	0.8
91.05480	1.0
91.21133	0.3
95.04971	0.3
97.02890	3.6
99.04443	0.7
99.08089	2.2
109.02898	1.4
110.07232	0.3
117.09133	11.2
119.04948	1.0
127.03932	2.0
129.37852	0.3
131.54778	0.3
132.04449	6.3
143.05652	4.2
145.02798	0.5
145.04993	1.6
147.04442	0.9
160.03970	0.3
174.06892	0.3
175.03923	0.9
175.41158	0.3
177.05487	1.1
178.04996	54.6
179.05367	0.5
186.93510	0.3
190.18454	0.3
203.03416	0.3
206.04485	100.0
207.04767	0.7
207.06535	1.7
245.10390	0.3
270.82184	0.3
295.06033	1.3
296.06320	2.1
321.07425	0.6
322.07944	0.6
333.53729	0.3
349.07095	0.5
350.07336	1.3
350.14117	0.4
392.08920	0.4
410.09290	0.5
428.10577	2.4
469.03040	0.3
512.18311	7.5
512.25659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61360	0.1
56.96561	0.1
60.05661	0.2
60.42949	0.1
65.03940	0.3
67.05493	0.1
69.03419	0.3
69.74538	0.2
69.74946	0.4
70.06594	0.3
71.02415	0.1
73.04031	0.1
79.05492	0.2
81.03425	0.4
83.02441	0.2
83.04973	0.2
84.08143	0.1
85.02916	0.5
86.09697	0.2
87.06719	3.8
87.28780	0.1
91.05495	0.2
93.03398	0.3
93.39485	0.1
95.04939	0.2
97.02905	0.1
101.03515	0.2
107.04930	0.1
109.02892	0.3
113.04620	0.1
115.06203	0.1
119.04896	0.1
119.08515	0.1
121.02867	0.4
122.06055	0.1
123.04417	0.1
125.04588	0.1
126.03035	0.3
127.03945	0.4
135.04366	0.1
136.07565	0.1
137.05946	0.1
139.03923	0.2
141.04108	0.6
142.04880	0.3
143.05649	100.0
144.06030	0.6
147.04414	0.1
151.03929	0.1
163.03938	0.2
177.05490	0.2
185.06709	0.2
191.03397	0.3
206.04466	0.1
207.04784	0.1
207.06573	0.2
235.67693	0.1
278.10880	0.1
314.41675	0.1
337.12018	0.1
453.15833	0.1
513.14575	4.4
514.14417	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	512.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
55.01845	1.5
55.05508	0.5
56.05009	0.4
57.03422	0.7
61.02924	0.6
65.03916	1.9
66.06086	0.5
67.05484	0.7
69.03410	2.0
69.07069	0.5
69.40051	2.3
69.40483	1.9
70.06610	2.4
71.04971	0.7
72.08128	0.6
73.02906	0.6
76.64004	0.5
77.03914	0.8
79.05482	0.7
79.71020	0.5
81.03395	1.4
81.07052	0.5
82.99604	0.5
84.04483	1.0
84.08116	1.4
85.02892	1.6
86.09697	1.4
89.03910	0.7
91.05478	26.7
93.07059	0.9
95.04932	0.8
95.08601	1.0
97.02861	1.1
98.09700	3.1
103.05442	1.5
103.59834	0.4
105.03403	0.6
105.07007	0.6
107.04939	0.9
107.08554	1.9
109.02833	1.2
109.10120	0.4
119.04940	35.7
120.05289	0.7
121.02877	5.7
121.06500	0.7
122.03199	1.4
123.86222	0.5
127.03894	1.4
129.10199	0.9
131.04887	0.7
132.02058	1.6
133.02856	0.8
135.04388	1.6
135.11662	1.3
136.04913	0.4
136.07529	0.5
142.08630	0.5
143.05641	4.8
143.26643	0.4
144.04050	11.5
144.10156	0.8
145.02840	2.5
147.04402	30.3
149.02341	1.6
149.05981	0.6
157.03940	2.2
161.05988	1.9
163.07567	0.5
164.04651	0.5
167.07037	1.7
175.03903	50.5
177.05499	1.0
178.05144	0.5
179.06981	2.7
181.08620	0.4
189.09142	0.8
195.02921	1.4
203.03339	2.1
204.03735	1.4
205.12236	0.6
206.04343	0.7
207.06522	100.0
209.08022	0.6
215.03316	1.0
216.03804	0.6
217.04984	0.7
221.04443	1.6
222.04822	0.9
231.06610	0.6
232.03075	0.5
233.04457	0.7
246.04744	0.7
284.06293	0.8
294.08414	0.4
295.06009	5.0
296.06387	7.7
306.09021	0.5
307.05902	1.7
308.06390	4.1
309.07376	1.3
310.07819	1.4
318.08484	0.9
320.06400	0.9
321.07413	3.3
322.04303	0.9
322.07889	7.7
324.09326	1.1
326.07281	0.8
330.08536	1.0
333.07452	1.4
334.07852	3.6
335.09067	1.1
336.09448	2.0
337.06839	0.8
338.07504	1.5
345.07654	0.9
346.07913	3.5
348.09671	0.5
349.07010	3.6
349.28052	0.5
350.07358	9.5
350.11279	1.0
351.10733	1.8
352.09048	0.6
360.09454	1.3
361.07227	1.4
362.07407	5.2
363.08511	1.0
364.08975	1.9
369.11765	1.0
371.12512	0.7
374.07318	3.1
374.11435	0.7
376.09183	1.0
379.08099	1.2
380.08496	5.2
388.08994	1.7
391.07892	2.3
392.08432	8.1
400.08682	0.9
402.10703	0.7
404.08588	1.1
409.09274	0.9
410.09607	2.9
415.08209	0.8
416.08472	2.8
422.09579	1.1
427.10251	2.0
428.10638	10.7
430.10187	0.5
434.09512	5.0
440.10239	0.6
446.09579	3.8
448.11267	0.7
458.09567	2.6
464.10608	1.4
476.10623	3.2
482.12082	0.5
494.11459	7.4
512.12659	20.7
512.19690	1.1
512.28235	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.9
55.01869	17.8
55.05509	19.3
57.03448	12.0
57.07077	1.9
61.02925	28.7
61.03228	3.0
65.03936	2.8
67.05504	40.4
69.03432	19.3
69.07066	27.5
71.01351	1.5
71.04994	4.7
73.02917	14.3
73.58484	1.6
79.05069	3.4
79.05495	35.4
81.03418	28.9
81.07061	67.7
83.04976	11.3
83.08628	9.4
85.02428	3.0
85.02909	32.3
85.06533	3.2
87.04466	2.0
91.03962	11.8
91.05483	47.5
93.07040	37.2
95.01346	6.1
95.04977	11.9
95.08057	2.7
95.08607	27.1
97.02892	22.9
97.06530	27.9
97.10179	4.0
99.04476	4.9
101.02376	5.7
103.03928	2.7
103.05459	2.4
104.37316	1.9
105.07034	72.3
107.04969	17.2
107.08595	17.6
109.02895	8.6
109.06479	5.2
109.10159	12.1
111.04437	3.3
111.08080	4.8
117.07012	13.1
119.08581	35.1
121.06483	2.8
121.10126	11.9
123.04477	2.7
123.08104	5.0
123.11704	3.6
125.06020	2.1
125.09634	3.1
127.03916	12.2
129.07005	5.1
131.08554	19.5
133.06506	2.3
133.10126	41.5
135.08040	5.0
135.11681	9.9
137.09688	2.2
139.07590	2.0
141.06998	2.7
143.08632	3.1
145.04999	3.9
145.06474	4.3
145.10139	20.1
147.11713	19.7
149.09627	6.6
149.13263	4.9
151.07492	2.5
155.08560	3.1
157.10162	5.9
159.08067	2.1
159.11705	12.7
161.13243	4.0
163.11180	4.9
165.09119	3.0
165.12762	4.0
167.07082	1.9
169.10141	3.0
169.51921	2.0
171.11697	4.1
173.13251	2.5
175.11198	2.8
177.12749	7.1
179.14330	17.7
183.06589	2.4
183.11754	2.2
187.11279	2.9
189.12816	1.9
191.07198	1.8
191.10695	2.4
193.12239	5.3
195.13879	2.0
197.13414	2.2
201.07439	2.1
211.13345	5.2
227.12627	2.5
229.19565	1.8
239.17953	4.7
241.14447	3.3
247.20593	4.2
249.94147	1.6
257.19031	8.9
267.15771	2.7
275.20056	100.0
283.15329	2.2
293.21097	4.9
305.15109	1.7
340.15506	2.4
349.23721	38.1
371.31476	1.7
377.22949	2.7
391.24728	2.4
457.25446	2.7
467.29898	2.1
493.27972	3.6
511.28506	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	511.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61927	2.2
53.03940	6.0
55.01878	3.3
55.05512	24.7
57.03439	22.5
57.07052	2.7
61.02919	6.5
64.92824	2.5
65.03932	4.9
67.05507	96.9
69.03426	10.7
69.07072	21.6
70.10002	2.6
71.01352	13.8
71.04979	6.9
71.60162	3.0
71.60577	4.0
73.02919	23.9
75.04482	5.0
79.05492	56.9
80.62662	2.3
81.03410	6.0
81.07062	100.0
83.04990	5.6
83.08614	11.6
84.36417	3.1
85.02434	3.5
85.02909	49.8
85.06530	3.4
91.04972	3.2
91.05482	41.1
93.06480	4.4
93.07047	72.5
94.93010	2.4
95.01324	11.1
95.04948	10.7
95.08610	72.1
97.02885	17.0
97.06517	4.2
97.10148	7.2
99.00787	4.0
99.04439	3.2
99.08087	2.9
101.02354	3.3
103.03938	7.6
105.07039	34.3
107.04942	3.7
107.08589	39.0
109.06540	4.0
109.10154	36.5
111.07976	2.7
113.02369	14.7
115.05496	2.5
117.05560	2.6
117.07030	16.7
119.08590	27.6
121.10135	29.6
121.56559	2.2
123.04474	3.0
123.08063	4.6
123.11687	13.7
125.02384	2.8
125.09653	3.9
129.07028	5.0
131.03380	10.2
131.08574	23.3
133.06496	3.9
133.10132	20.3
135.08105	3.1
135.11696	25.0
137.13277	7.0
141.01833	21.8
143.08553	4.7
145.10133	17.0
147.11684	13.1
149.13274	14.8
151.11163	2.4
155.08585	3.9
157.10104	3.8
159.02887	4.4
159.11710	14.3
161.13301	14.2
163.11073	2.7
163.14844	8.0
167.08568	3.0
171.11685	4.2
173.13243	15.3
174.02565	2.6
175.14896	3.2
177.16379	3.5
183.11621	3.0
185.13274	3.3
185.61189	2.8
187.14784	8.7
202.11745	2.4
215.05466	4.8
234.34229	2.4
243.21126	14.2
261.22162	33.7
303.23138	6.5
335.25803	39.3
339.22733	3.1
351.19669	2.9
377.27032	4.6
419.24429	3.6
475.26654	2.9
493.27692	5.8
511.27936	17.9
511.34674	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	511.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	16.4
55.01878	11.8
55.05512	32.3
57.03438	35.6
57.07050	3.9
61.02926	14.1
65.03934	6.2
67.05505	74.1
69.03427	56.6
69.07066	39.0
71.01353	4.4
71.04998	16.0
71.08606	2.3
71.31063	5.8
73.02899	8.9
79.05492	61.2
81.03417	67.7
81.07057	100.0
83.04981	27.1
83.08622	13.3
85.02908	50.5
85.06541	5.5
87.04502	3.4
91.03949	6.9
91.05479	61.0
93.06470	4.7
93.07041	71.3
95.04964	21.0
95.08605	41.5
97.02897	43.3
97.06529	16.5
97.10145	4.9
99.04443	14.7
99.08067	5.6
101.02383	4.2
103.03915	4.7
105.07029	61.1
107.04949	13.5
107.08585	38.6
109.02895	12.2
109.06514	10.6
109.10157	19.1
111.04437	7.6
111.08064	9.6
115.03951	3.8
115.05405	3.7
117.07014	27.7
119.08586	50.9
121.06506	12.2
121.10137	27.9
123.08052	10.2
123.11689	6.5
125.09600	4.7
127.03925	27.3
129.05470	9.4
129.06998	10.7
131.08566	33.5
133.06494	4.6
133.10112	41.5
135.08087	11.7
135.11685	14.4
137.09583	5.5
141.06973	3.9
143.08572	9.5
145.04980	7.2
145.06435	3.6
145.10103	25.6
147.04361	2.5
147.08072	6.0
147.11711	24.6
149.09631	14.7
149.13232	16.8
151.11133	2.7
155.08530	7.3
157.10156	10.3
159.11673	27.5
161.09581	4.3
161.13248	8.3
163.11194	7.4
165.12770	5.3
169.10107	6.3
171.11647	12.6
173.04402	12.5
173.09515	2.8
173.11880	3.9
173.13159	12.5
175.11198	4.2
177.12782	6.7
179.14363	3.6
183.06534	5.6
183.11646	8.4
185.13232	4.5
187.11205	3.3
189.11302	3.7
193.12151	4.3
195.13794	14.7
197.13374	4.6
199.14861	3.4
201.12773	3.3
203.14285	3.1
211.13182	4.0
213.14755	5.9
219.13770	2.8
225.11200	3.2
229.19553	5.8
239.17989	7.6
247.20569	6.8
257.19000	18.5
269.17419	20.3
273.18372	4.5
275.20074	68.9
291.19574	8.6
293.21130	4.4
297.17148	5.5
315.19717	2.9
331.22620	7.3
341.21222	2.7
349.23740	65.3
367.24774	3.2
373.23544	4.3
413.21884	13.6
419.24545	2.8
493.27771	7.8
511.28757	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96417	3.3
53.03929	14.4
55.01859	13.2
55.05516	28.0
56.96560	3.3
57.03434	29.7
57.07056	4.6
61.02925	7.9
67.05507	81.4
69.03427	50.2
69.07077	24.4
70.08372	2.9
70.08981	3.1
71.04988	15.2
71.20184	9.6
73.02912	7.0
74.82153	3.1
79.05490	71.3
81.03418	90.0
81.07056	100.0
83.04964	26.4
83.08619	19.1
85.02890	26.8
85.06536	6.1
87.04507	3.4
87.80470	3.4
91.04968	6.0
91.05486	65.6
93.07044	72.0
95.04992	24.7
95.08611	39.1
97.02894	43.1
97.06526	12.5
97.10177	6.9
99.04449	10.4
100.06864	3.3
101.02346	4.4
103.03952	4.6
105.07037	57.4
107.04955	13.2
107.08602	36.2
109.02885	18.6
109.06496	13.5
109.10158	23.9
111.04444	7.9
111.08047	4.9
117.07018	17.8
119.04900	4.2
119.08582	40.6
121.06499	5.6
121.10138	27.9
123.04456	4.8
123.08099	8.1
123.11708	12.0
123.55205	4.1
125.09607	7.1
127.03921	24.2
127.07588	3.8
129.05511	5.6
129.06993	9.6
130.15842	3.2
130.36661	3.6
131.04910	5.1
131.08569	25.0
133.06477	5.0
133.10123	42.2
135.08041	6.5
135.11702	19.2
137.05998	7.0
137.09607	7.7
140.01654	3.7
141.07019	4.0
143.08578	8.3
145.06470	5.3
145.10138	20.7
147.04399	4.8
147.08035	6.8
147.11688	23.5
149.09622	12.7
149.13242	15.2
151.11189	8.2
153.05458	6.0
155.08574	6.4
157.10179	10.0
157.32263	3.5
159.11674	21.3
161.09651	5.9
163.11188	7.8
165.09102	4.0
165.12801	4.6
167.07024	4.7
169.10175	6.0
171.11717	8.0
173.04509	30.5
173.09558	4.7
173.13257	10.2
175.11153	5.8
177.12782	7.5
183.11684	4.2
187.11090	4.2
193.12228	7.0
195.13786	14.1
211.13252	3.8
213.14786	5.9
227.12633	4.1
229.19370	5.1
247.20667	6.6
257.04559	7.6
257.19009	9.3
261.14963	3.5
269.17514	10.2
275.20105	31.0
286.04761	4.2
287.05566	6.6
331.22864	5.3
349.23788	39.4
413.21707	27.9
467.30420	3.5
493.27338	8.5
511.29196	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	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.2
53.03946	10.6
55.01875	11.6
55.05510	26.2
57.03435	27.6
57.07071	2.8
59.04979	3.5
61.02925	10.6
65.03931	7.0
67.05502	68.4
69.03426	45.0
69.07066	26.5
70.13194	1.5
71.01348	4.8
71.04980	13.4
71.61205	1.7
73.02921	7.9
79.05492	64.0
81.03418	71.0
81.07054	100.0
83.04981	19.7
83.08611	13.3
84.55703	1.6
85.02419	2.8
85.02902	35.5
85.06540	6.1
87.04467	2.7
91.03953	4.2
91.05479	61.5
93.07040	61.4
95.04963	22.1
95.08605	42.9
97.02888	41.1
97.06519	11.9
97.10138	4.9
99.04454	13.4
99.08079	4.4
101.02381	5.6
103.03944	5.9
103.05453	3.3
105.04532	1.6
105.07027	59.6
107.04951	10.4
107.08597	36.2
109.02869	16.4
109.06519	13.9
109.10157	23.9
111.04436	6.5
111.08083	8.2
113.05978	1.9
115.03970	1.9
115.05480	2.5
117.07034	21.2
119.04910	1.7
119.08577	40.1
121.06477	7.6
121.09310	2.7
121.10144	30.3
123.04451	2.0
123.08039	10.6
123.11714	10.3
125.09630	3.1
127.03913	23.1
128.06229	2.9
129.05472	6.4
129.06985	11.5
131.04913	2.8
131.08566	34.1
133.06461	5.7
133.10129	37.3
135.08029	9.7
135.11679	15.7
137.05974	7.6
137.09589	6.8
137.13309	1.9
139.11182	2.4
141.06989	5.1
143.08542	9.3
145.04935	4.6
145.06465	4.8
145.10115	23.6
147.08031	5.9
147.11690	23.6
149.09627	14.2
149.13234	14.3
151.11159	6.7
155.08563	4.6
157.10103	10.2
159.08040	3.9
159.11670	26.2
161.05948	2.1
161.09592	3.2
161.13252	7.9
163.11171	8.4
163.14819	2.0
165.12746	5.8
167.07100	2.9
167.08466	2.1
169.10152	5.3
171.06606	1.5
171.11687	8.9
173.04474	19.2
173.09587	1.9
173.13243	11.6
175.11209	4.3
175.14847	3.4
177.12778	7.9
183.06529	2.0
183.11650	4.6
185.13243	4.3
187.11058	2.0
187.14861	2.7
189.11176	2.3
189.12738	2.1
193.12233	6.1
195.12119	1.4
195.13811	10.6
197.08067	3.7
197.13190	4.6
199.11084	1.7
199.14694	2.9
201.07564	2.6
201.12755	3.0
203.14371	1.8
205.12230	2.4
209.11697	2.0
211.13225	4.7
213.14758	3.1
219.13811	3.4
229.19507	4.2
231.13890	1.7
239.17889	7.9
245.15620	1.7
245.18918	2.6
247.20566	7.0
257.18958	17.5
267.15744	1.6
269.17487	6.8
273.18375	1.7
275.20047	62.8
293.20996	4.2
298.47412	1.6
299.19943	1.6
303.15891	1.9
303.84232	1.6
313.21414	1.7
321.24039	3.1
331.22690	3.9
337.21088	1.7
349.23727	53.6
365.20789	1.7
367.25018	3.8
373.23737	2.1
383.22299	3.2
391.24905	3.0
395.20694	3.3
401.23480	1.9
409.26297	1.5
413.21655	22.7
419.24161	2.5
457.25931	2.3
475.26691	3.3
493.27921	7.1
511.28833	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	511.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77386	0.7
56.96558	1.1
58.36739	0.6
69.03429	10.3
69.07065	1.7
70.06580	1.1
71.59550	0.9
73.73596	0.6
81.04539	10.2
85.02892	2.1
89.03898	1.0
91.05483	16.3
95.06100	6.6
97.02897	1.3
97.08710	0.6
103.05433	0.8
103.46060	0.6
107.04910	0.7
109.02868	1.0
110.07174	0.9
116.98582	1.2
119.04939	31.9
123.04441	1.0
125.07114	8.9
127.03913	4.9
132.02052	1.3
134.99664	0.7
135.04436	0.9
137.05923	0.6
140.07079	1.6
142.13536	0.7
143.05690	3.8
143.08160	32.1
145.02837	1.2
146.99608	0.8
147.04408	28.7
157.03973	1.6
163.03880	2.0
167.07097	1.3
168.06560	2.9
175.03908	51.2
179.07037	3.2
207.06526	100.0
208.06897	0.9
208.09673	1.3
219.06517	0.9
225.07570	1.0
232.51462	0.6
237.02829	0.9
279.74725	0.6
291.08664	0.8
305.13498	1.6
349.05679	0.5
349.08878	19.9
349.13339	1.4
351.10764	9.0
369.11829	24.1
511.13388	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
53.54633	3.5
55.01876	12.0
55.05510	31.6
56.53516	3.0
57.03441	42.8
57.07083	4.0
61.02922	29.2
65.03932	5.2
65.26528	3.2
66.49767	3.8
67.05504	68.2
68.99790	6.4
69.03432	36.9
69.07065	27.4
69.33971	15.2
69.34402	20.4
71.01364	5.8
71.04994	16.4
73.02909	12.0
79.05493	74.8
81.03413	44.6
81.07057	85.9
83.04976	14.5
83.08618	17.7
85.02908	46.5
85.06540	9.3
89.06059	4.4
91.03955	15.9
91.05481	100.0
93.07040	76.6
94.07476	3.0
95.04964	21.8
95.08609	53.7
97.02875	38.0
97.06524	11.9
97.10184	8.2
97.91184	3.7
97.91851	3.5
99.04452	10.6
99.08089	4.5
101.02396	8.7
103.03938	7.5
103.05470	8.3
105.07031	80.8
107.04949	10.7
107.08589	39.6
109.02880	12.5
109.06526	14.0
109.10152	27.8
111.04463	7.5
111.08106	10.6
114.93432	3.1
115.05474	7.2
116.47523	3.8
117.07022	36.1
119.08576	66.9
121.06500	9.5
121.10133	27.5
123.04466	4.4
123.08060	8.8
123.11729	9.5
125.09642	4.2
127.03910	19.4
128.06264	6.4
129.05452	4.5
129.06972	28.3
130.07771	4.2
131.08563	50.6
133.06497	6.1
133.10126	45.3
135.04425	5.2
135.08070	8.5
135.11697	15.8
137.02379	5.1
137.05977	10.0
137.09619	5.7
137.13251	3.6
139.00282	5.4
141.06944	7.3
142.07799	4.7
143.05652	6.3
143.08591	21.3
145.04926	4.7
145.10129	58.2
147.04453	4.3
147.08102	5.2
147.11682	34.1
149.09618	12.5
149.13235	5.5
155.08583	6.0
155.80959	4.3
157.10126	28.3
159.11662	50.3
161.09633	11.1
161.13277	15.9
163.11176	12.7
167.07086	8.6
169.10197	13.5
171.11690	14.9
173.13255	24.8
175.11101	6.0
175.14833	4.3
177.05594	4.5
177.12784	4.9
179.07127	4.5
183.11707	12.4
185.13226	26.7
187.11143	6.4
187.14830	4.7
193.12207	8.2
197.13237	8.4
199.14928	5.3
201.12897	4.3
201.16397	5.6
203.14346	9.4
207.06584	5.6
215.18082	5.7
229.19608	9.8
239.17966	21.9
247.20480	5.0
253.69281	3.5
257.18988	41.0
273.04062	16.4
275.20044	48.2
275.22784	5.2
283.06357	4.7
301.03375	12.1
315.85718	4.1
331.22672	10.4
349.23749	92.1
373.23380	4.5
391.24466	6.8
419.24420	4.3
457.25900	5.1
475.27133	7.0
493.11484	7.0
493.28067	11.1
511.12250	13.7
511.28876	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
57.11248	0.4
65.03921	0.5
66.52320	0.4
69.03413	1.5
70.06570	0.6
71.04986	0.4
71.07125	0.8
79.05514	0.4
81.03419	1.2
85.02908	0.7
87.06725	2.6
91.05485	7.8
109.02930	0.5
111.49757	0.4
114.37183	0.4
119.04952	12.2
127.03925	1.2
137.05969	0.6
143.05647	100.0
147.04414	11.4
157.03978	0.7
175.03917	18.4
177.05386	0.5
178.07310	0.4
179.07034	1.0
207.06540	34.2
208.06943	0.5
295.06055	0.7
305.10928	6.1
323.05463	0.4
351.10791	1.8
358.03732	0.4
369.11749	3.2
427.10226	0.5
511.17795	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	511.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05516	0.8
56.96552	0.8
59.22635	0.6
65.03946	1.6
66.30318	0.6
68.99802	0.5
69.03429	9.3
69.49968	0.5
70.06594	1.6
72.08154	0.9
73.40561	0.5
79.05486	0.9
81.03432	1.0
83.05003	1.0
84.04499	0.8
84.08144	0.8
85.02889	3.5
86.09683	0.7
87.06712	2.7
89.19984	0.5
91.05482	20.4
95.04987	1.1
97.02890	1.6
99.04446	0.7
103.05497	1.1
109.02870	1.6
110.07180	1.0
119.04945	31.4
121.02896	1.1
123.04414	0.7
125.07153	0.7
127.03934	4.6
132.02115	0.6
133.02849	0.6
134.47606	0.5
135.04437	0.7
143.05644	89.4
143.08099	2.1
145.02951	1.0
147.04414	29.5
149.02367	0.9
157.03967	1.7
161.06026	1.0
162.09210	0.9
163.03925	1.0
164.04666	0.9
167.06996	1.5
175.03914	53.0
177.05437	1.3
177.41797	0.6
179.07043	2.0
193.05002	2.0
197.12866	1.3
200.61290	0.7
203.03333	0.9
207.06519	100.0
208.06622	1.3
208.09766	1.4
237.02876	0.9
291.08585	1.2
295.06085	1.1
305.10852	7.9
305.58246	0.6
349.06796	0.8
349.18201	1.1
351.10773	6.9
369.11789	8.5
409.09149	1.0
427.10114	0.9
511.12784	4.3
511.24020	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	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72955	1.1
53.03935	1.5
53.51523	1.2
55.01859	2.4
55.05519	8.1
57.03443	7.5
64.72363	1.2
65.03936	1.3
67.05510	15.8
69.03421	4.0
69.07082	7.9
70.06577	1.3
70.09840	2.3
70.10223	5.0
71.04987	2.4
73.02890	1.5
76.70670	1.2
79.05496	12.7
80.05830	1.6
81.03420	6.0
81.07063	41.5
82.07393	1.7
83.04974	4.5
83.08620	4.2
84.31512	1.3
85.02892	4.6
85.06515	2.5
91.03995	1.5
91.05482	19.9
92.05785	1.4
93.07043	11.5
94.07362	2.3
95.01334	2.2
95.04976	6.5
95.08627	11.9
97.02874	1.9
97.06533	4.7
97.10158	2.9
99.04424	1.7
105.07042	17.6
107.04955	4.2
107.08604	9.1
108.05212	1.3
108.08881	1.4
109.06526	7.6
109.10139	2.7
110.06823	2.1
111.08081	1.6
112.92574	1.2
117.07018	1.8
119.04938	1.6
119.08571	14.8
120.08910	1.6
121.06468	2.7
121.10131	11.1
122.10482	1.9
123.04483	1.3
123.08067	2.9
123.11724	11.5
125.09630	2.2
127.03940	1.5
129.07034	2.2
131.08556	3.7
133.10127	5.0
135.08099	2.1
135.11719	1.2
135.94301	1.1
137.05988	1.6
137.13228	1.9
141.01852	3.0
145.10164	2.3
147.11700	37.2
149.09537	1.6
149.13293	1.6
151.07536	1.9
157.10162	4.2
163.11214	2.0
165.12755	19.1
172.00377	1.2
175.11186	3.7
177.05455	1.9
180.48259	1.2
193.12219	4.8
197.15398	2.4
199.13411	1.7
201.12610	1.3
207.06427	2.0
211.13132	1.5
219.13785	1.9
220.14197	1.4
229.14351	3.3
243.15941	2.1
267.15952	13.4
285.16891	2.1
293.17291	1.7
294.17981	1.6
299.18555	100.0
301.06845	1.2
368.23041	3.0
386.24304	2.4
460.27768	3.5
475.21454	2.1
478.28268	2.7
492.30432	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	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
55.05507	5.3
57.03429	4.6
57.35825	1.3
58.18263	1.7
59.04999	1.3
61.54202	1.4
67.05512	14.1
69.03423	3.5
69.07066	10.2
69.48235	8.1
69.48643	3.5
71.04987	3.1
79.05487	11.5
81.06580	2.7
81.07059	43.0
83.04969	3.9
83.08614	4.1
85.02910	8.1
85.06537	2.4
91.05495	13.6
93.07043	6.7
95.04979	2.8
95.08613	10.7
97.02895	6.0
97.06525	5.0
99.04441	1.8
99.08079	3.4
105.07029	19.1
107.08600	8.7
109.02860	1.6
109.06504	5.4
109.10217	1.5
113.06113	1.6
117.07035	1.4
119.04930	1.5
119.08574	14.3
121.10139	11.7
123.04411	1.6
123.08035	3.6
123.11713	16.1
127.03914	2.4
127.07576	2.4
129.07027	3.0
131.08569	1.6
133.10139	2.5
137.05972	2.2
137.13304	1.8
141.09155	1.3
143.05685	6.8
147.04399	1.5
147.11699	40.1
150.69693	1.4
157.10182	3.0
165.12767	17.0
167.07033	2.9
175.03816	1.4
175.11200	3.0
183.13808	5.6
193.08565	4.0
193.12236	3.6
201.14851	4.7
229.14391	6.1
267.15924	45.3
285.16977	100.0
333.13391	1.8
424.92160	1.4
425.18036	4.2
457.20807	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	510.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01872	4.4
57.03431	2.4
60.04537	6.2
61.02934	2.0
65.03949	6.9
67.05505	3.1
69.03423	3.4
69.07066	1.8
70.06600	3.1
71.04999	2.5
71.60304	2.1
72.08163	1.8
75.04464	4.1
76.06210	1.3
78.04702	1.8
79.05495	5.7
81.03413	2.9
81.07053	4.9
83.04971	2.0
85.02909	15.5
86.09716	3.1
88.03993	2.6
88.08079	1.2
91.05479	100.0
93.03407	9.0
93.07040	9.4
95.04964	6.3
95.08604	1.5
97.02890	5.1
97.06525	2.6
103.05479	5.2
105.07023	3.6
106.04177	23.8
107.04960	2.6
107.08579	5.1
109.02870	2.3
109.06536	1.8
109.10172	2.2
110.06056	1.3
116.42662	1.3
117.64804	1.2
119.04955	6.5
119.08563	2.3
120.08118	1.3
121.02858	1.8
121.06509	23.3
121.10156	3.9
123.04417	2.7
123.08045	1.4
124.05112	1.5
125.05980	8.5
127.03916	2.6
131.04945	2.0
131.08598	1.5
133.06508	1.6
133.10162	1.5
134.03650	4.7
135.04439	1.6
136.07622	1.8
137.05962	7.9
137.09613	2.2
138.05516	2.1
139.07539	3.0
143.05618	3.8
145.02869	2.0
145.04913	1.5
145.10213	1.4
147.04405	5.9
148.05209	2.2
149.05988	38.8
151.02139	2.7
151.07574	2.9
153.00073	2.7
153.09122	11.9
161.06017	1.8
163.07559	2.1
165.09132	2.0
165.79767	1.2
167.07025	2.5
168.99544	26.5
173.13194	1.2
177.05473	21.8
178.00797	1.5
179.07059	2.6
181.08563	17.2
191.06985	2.1
191.14323	2.3
193.03160	6.6
194.02687	3.0
195.65616	1.4
209.08092	94.3
209.15265	1.6
240.03296	9.5
241.12505	2.7
243.04692	1.9
258.04266	3.1
299.09134	1.3
312.16379	4.4
330.07651	1.5
330.11185	1.6
330.17230	7.6
330.26251	3.3
339.12482	2.1
348.08994	3.6
348.27667	3.9
361.04214	2.8
374.15378	1.4
409.93137	1.4
464.58228	1.4
510.14514	5.5
510.24356	1.4
510.32727	1.7
511.14951	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.1
54.76710	2.6
55.01869	5.4
55.05506	6.6
65.03935	5.2
66.88317	2.9
67.05506	5.1
69.03417	12.1
70.06584	2.7
71.04972	2.6
71.60112	5.1
73.02905	3.0
79.05459	3.8
81.03402	12.0
81.07058	9.5
83.04962	3.9
83.08615	7.7
84.08110	2.8
85.02899	21.8
87.00827	10.9
91.05480	100.0
92.40651	2.8
93.07024	6.9
95.05006	3.4
95.08616	3.1
97.02876	18.2
100.11245	12.3
103.05503	4.0
105.01873	7.2
105.07032	10.3
107.08617	2.8
109.02888	8.8
111.04472	3.3
118.04163	6.9
119.08556	4.1
125.09613	4.6
127.03918	16.1
133.06476	8.3
135.04405	4.5
137.05971	3.7
143.05692	5.2
145.04964	8.3
149.02327	3.8
150.06673	3.1
159.02914	5.4
161.06003	5.0
163.03838	5.2
165.09137	7.0
167.03377	4.6
167.07066	6.4
176.72510	2.7
177.05460	6.0
177.57306	3.1
179.03526	3.1
182.15369	3.7
193.08594	33.8
195.06523	6.6
196.72618	2.7
209.02693	5.9
210.15050	2.9
256.45551	2.7
263.05408	3.8
269.08060	12.5
275.39386	2.8
276.94672	3.0
293.08368	5.6
311.09198	4.8
335.09174	18.5
351.77740	2.8
353.10483	5.3
439.10068	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	510.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31042	0.5
53.03950	2.0
55.01868	1.5
55.05509	1.7
57.03432	1.5
61.02924	1.3
65.03938	2.6
65.29875	0.6
67.05505	2.3
69.03434	5.2
69.07068	1.5
70.11339	1.9
70.11750	1.3
71.01369	0.8
71.05012	1.3
71.84167	0.5
73.02907	2.0
79.05499	2.3
81.03416	6.0
81.07070	3.6
83.04967	0.9
83.08611	1.5
85.02910	12.1
87.00817	4.1
91.05486	100.0
93.07045	1.8
95.04980	0.7
95.08611	2.1
97.02903	7.7
99.04456	2.8
100.11257	2.6
105.01862	3.6
105.07040	2.3
107.08594	2.1
109.02875	4.0
109.06550	1.0
109.10155	1.3
110.98036	0.6
119.08559	1.5
121.10155	1.1
122.06068	0.7
123.08079	0.9
127.03933	9.8
131.08583	0.9
133.10077	1.5
135.11670	1.3
137.06010	1.0
143.05655	0.6
145.02905	0.7
145.04985	6.3
145.06285	1.0
145.10088	1.0
147.11734	1.2
159.02916	2.4
165.06851	0.7
167.02139	0.8
167.03374	4.0
167.07108	0.8
169.77425	0.7
182.15463	1.2
202.62244	0.6
205.37465	0.6
207.06488	1.0
213.04019	0.8
213.08403	0.6
227.07021	1.0
231.05081	1.7
245.08154	1.4
247.74512	0.7
311.23248	0.7
367.68234	0.7
417.53186	0.8
509.41074	1.2
510.22443	2.8
510.40646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.3
55.01863	10.3
55.05511	14.3
56.96535	2.3
57.03431	8.0
58.58549	1.9
59.05012	2.5
61.02925	4.1
65.03938	4.5
67.05514	23.8
69.03433	17.3
69.07059	9.9
71.05002	13.2
71.60837	2.7
73.02917	5.6
79.05491	23.1
81.03426	18.5
81.07055	29.5
82.07374	3.4
83.04971	4.9
83.08619	6.4
85.02913	38.0
87.00817	11.6
89.09531	2.2
91.03943	2.6
91.05485	100.0
93.07043	21.6
94.07378	4.2
95.04976	24.8
95.08605	18.5
97.02898	33.4
97.06534	4.3
97.10176	10.8
98.10500	2.8
99.04464	8.7
105.01865	11.7
105.07030	14.3
107.04956	15.4
107.08593	12.7
108.08908	2.2
109.02887	13.1
109.06522	19.8
109.10166	9.6
110.06895	2.6
111.04458	3.4
111.08089	2.9
115.03947	2.4
117.07024	7.7
119.08598	9.0
121.06503	8.8
121.10146	15.6
122.10476	5.4
123.08106	5.6
125.09642	9.3
127.03922	36.7
128.04297	2.3
129.06921	3.9
131.05038	2.5
131.08566	9.4
132.08934	2.8
133.10097	5.5
135.08066	6.3
135.11693	3.8
137.05960	3.2
137.09654	3.7
143.05704	4.1
143.08487	3.3
145.04974	20.9
145.06123	2.7
145.06467	2.7
145.10159	4.7
147.04388	2.6
147.08067	2.2
147.11682	3.7
149.09595	2.4
155.08586	3.0
159.02928	14.0
159.11681	3.0
161.09590	3.7
163.11183	3.0
164.11586	3.1
167.06978	2.6
167.10670	4.1
171.11635	2.5
173.13252	3.8
177.05466	3.5
187.11122	2.5
189.11314	2.3
191.14461	3.4
199.13420	3.0
201.12946	2.2
207.06560	3.1
219.13826	7.7
220.14163	3.2
223.13225	3.3
227.12694	3.3
228.13292	2.6
231.05092	5.5
233.15404	3.6
273.17007	3.4
293.17413	6.7
294.17865	3.1
299.18686	5.2
349.21548	2.3
350.21863	2.5
367.22592	7.4
368.22980	8.5
385.23557	3.7
386.24039	7.3
396.27917	2.2
442.26584	2.6
459.27454	3.4
460.27698	7.3
477.28564	2.7
491.30148	3.3
492.30289	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	509.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	18.7
55.01889	13.8
55.05516	46.4
56.96564	7.9
57.03438	18.9
57.07080	12.5
58.61769	5.6
61.02929	6.5
63.87859	5.5
65.03953	7.1
67.05511	98.6
69.03441	33.3
69.07082	33.3
69.53210	5.6
70.10023	22.4
71.05001	20.4
73.44107	6.5
79.05502	69.4
81.03429	47.9
81.07064	100.0
83.04991	17.9
83.08629	34.0
85.02926	23.6
85.06530	11.6
91.05482	69.8
93.07056	77.8
95.04966	52.2
95.08608	67.0
97.02894	27.3
97.06554	19.8
97.10171	34.1
98.97600	7.8
99.04474	12.6
100.11283	8.5
103.05465	7.6
105.07042	51.0
107.04972	25.2
107.08607	60.9
109.02901	19.4
109.06537	32.4
109.10164	56.7
111.04393	6.8
111.08074	14.4
117.07017	19.7
119.04966	12.4
119.08601	40.0
121.06506	21.6
121.10153	37.0
123.08110	10.6
123.11710	26.9
125.09628	29.9
127.03928	28.3
129.07002	19.4
131.04951	9.6
131.08607	26.7
133.06526	9.6
133.10167	36.5
135.08061	19.2
135.11726	26.6
137.06017	15.8
137.09656	14.4
137.13225	7.4
139.11238	8.0
141.07056	5.6
143.05699	10.6
143.08577	13.0
145.06555	8.2
145.10159	25.4
147.04362	8.2
147.08012	12.6
147.11717	17.0
149.05957	5.8
149.09616	13.1
149.13268	18.6
151.07527	6.6
151.11203	9.5
153.05443	9.6
154.27596	5.9
157.10135	7.7
159.11732	10.9
161.09645	12.8
163.11197	18.4
163.14861	8.1
167.03419	13.7
167.07106	9.3
170.15559	8.3
171.11693	8.0
173.04486	11.2
173.13258	8.0
175.03931	14.1
175.11201	12.6
177.05487	9.6
189.11241	18.1
191.10661	8.0
191.14220	6.8
193.08522	6.6
193.12285	12.4
207.06554	14.1
209.11754	11.2
211.13292	12.7
219.13962	8.2
223.13330	7.4
227.12802	19.5
237.02861	6.0
283.15219	7.2
291.19601	12.8
293.17499	9.1
293.28366	16.5
315.05212	8.3
367.22763	14.7
385.23987	12.5
407.66617	5.6
459.27435	20.2
477.28720	8.6
509.27383	43.4
509.40259	12.2
533.45026	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	509.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50094	2.0
53.03935	9.2
55.01870	14.7
55.05512	35.9
55.10708	2.5
57.03435	13.6
59.04993	2.5
59.39152	2.6
61.02912	3.5
65.03922	5.6
67.05173	3.8
67.05508	56.9
67.37240	2.3
69.03425	10.9
69.07066	25.4
70.06572	2.3
71.04995	20.5
73.02895	4.1
79.05495	66.9
81.03419	20.2
81.07056	79.3
81.07523	5.6
83.04983	18.0
83.08612	17.7
83.46765	2.4
84.16110	2.4
85.02911	25.9
85.06528	9.1
87.00836	6.0
91.05484	100.0
93.07046	65.6
95.04971	69.0
95.08606	33.5
97.02888	18.3
97.06535	9.6
97.10175	24.6
99.04463	6.5
99.08067	2.7
103.05473	4.0
105.01846	6.8
105.04530	2.3
105.07033	32.9
107.04964	36.6
107.08589	39.4
109.02897	11.6
109.06519	48.0
109.10155	19.5
111.04440	2.4
111.08088	8.0
115.05493	5.0
117.07005	16.7
119.04923	5.1
119.08561	14.4
121.06513	24.7
121.10140	33.2
123.08107	11.4
123.11653	11.4
125.05898	3.1
125.09628	24.2
127.03900	19.5
128.06206	2.6
129.07024	11.8
130.69380	2.2
131.04967	4.7
131.08553	23.1
131.61649	2.5
133.06473	4.4
133.10147	14.4
135.08093	21.8
135.11691	9.6
137.05956	6.8
137.09627	4.0
139.11183	5.9
141.06990	5.8
143.05653	7.2
143.08566	7.4
145.04930	10.5
145.06477	12.4
145.10139	16.2
147.04449	3.5
147.08035	8.6
147.11732	12.6
149.05994	2.8
149.09601	13.9
149.13258	3.8
151.03918	2.9
151.07538	2.8
153.09172	4.2
153.12828	2.4
155.08549	4.7
157.06560	3.0
157.10132	6.9
159.02908	6.3
159.08064	6.9
159.11696	10.6
161.05916	3.5
161.09622	6.8
163.03911	3.3
163.11205	21.4
165.12762	2.9
167.07048	4.5
167.10690	12.4
169.10161	4.6
171.08092	4.8
171.11746	4.2
173.09644	4.1
173.13272	6.7
175.04039	2.9
175.11101	4.8
177.05476	3.9
177.12788	3.8
181.10104	2.4
181.12256	3.6
183.11647	2.3
185.00090	2.3
185.09584	2.8
185.13232	2.5
187.11081	4.4
189.11227	10.3
191.10687	4.6
191.14287	11.8
193.12218	6.3
195.11707	3.0
199.11292	4.5
199.13303	22.2
201.12727	5.9
205.12234	6.2
207.06531	6.4
211.11334	3.7
213.12694	3.6
215.14273	5.0
219.10208	2.3
219.13809	29.4
223.13206	15.6
227.12743	14.3
233.15346	5.8
237.14897	8.6
239.18208	2.6
249.14833	4.4
255.13661	3.3
267.15906	8.4
271.06055	3.2
273.14557	5.1
273.17230	11.2
275.16479	3.9
289.05295	2.9
293.17444	23.8
299.18542	9.6
301.07184	3.4
349.21625	11.9
357.23404	2.5
367.22641	38.1
385.23679	31.2
399.25403	3.1
403.24857	10.0
417.26227	5.3
441.26025	5.5
459.27383	30.7
477.28384	10.8
491.30124	24.2
509.14362	7.8
509.30887	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	509.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	16.4
55.01868	24.5
55.05513	73.3
57.03440	33.3
57.07056	3.6
59.05000	4.2
59.06085	3.0
59.56312	2.6
61.02934	4.4
65.03947	7.2
67.05508	100.0
67.05875	4.7
69.03086	4.7
69.03431	68.6
69.07070	28.2
71.01347	6.4
71.04998	36.5
73.02918	3.9
73.04807	2.5
75.22926	2.5
79.05492	92.2
81.03422	87.5
81.07056	99.8
83.01332	3.2
83.04977	26.3
83.08160	3.3
83.08622	36.5
85.02908	28.4
85.06534	9.0
91.05480	71.6
93.06484	5.3
93.07047	82.4
95.04980	60.6
95.08607	42.0
97.02891	30.4
97.06546	17.9
97.10176	59.7
99.04485	16.3
99.08087	3.9
101.02361	6.1
103.03953	6.3
105.07038	47.0
107.04961	45.2
107.08598	56.1
109.02895	19.7
109.06518	42.7
109.10144	35.5
111.04451	10.1
111.08075	9.3
115.05479	6.7
117.07027	32.5
119.08582	42.7
121.06496	28.1
121.10149	31.9
123.04437	5.0
123.08063	20.1
123.11753	7.5
125.09640	55.9
127.03924	36.5
129.05458	4.0
129.07021	18.2
131.04933	5.6
131.08568	38.4
133.06491	8.3
133.10147	19.4
135.08070	22.1
135.11726	14.9
135.12624	3.0
137.05943	6.4
137.09604	10.2
139.11186	2.8
141.06964	6.6
143.08531	16.1
145.06473	12.0
145.10127	33.9
147.04417	3.4
147.08049	20.7
147.11682	9.7
147.54041	2.9
149.05989	4.7
149.09608	11.0
149.13225	4.6
151.07527	4.6
151.11223	4.1
153.09116	10.2
155.08572	9.0
157.06564	3.9
157.10149	14.3
159.08028	8.6
159.11710	16.7
161.09621	6.4
161.13269	3.3
163.07524	4.5
163.11169	20.8
165.09093	6.0
167.10631	5.7
169.10165	4.8
171.08073	5.3
171.10242	5.7
171.11671	6.5
173.04454	29.1
173.09749	7.5
173.11717	3.3
173.13203	5.2
175.11253	9.3
177.09178	3.3
177.12762	4.6
181.12303	3.8
183.06491	3.1
183.11656	4.8
185.09717	3.7
187.11266	7.5
187.14847	3.7
189.11218	51.1
189.12762	5.2
191.10551	4.1
191.14250	5.8
193.12244	5.2
195.13864	4.6
199.11307	4.3
199.13271	9.5
205.12306	6.4
209.11729	4.5
211.11298	3.6
215.14386	5.1
217.12280	3.5
219.13753	22.0
221.15408	4.7
223.13243	15.8
227.12740	20.8
233.15445	11.5
237.14706	4.1
241.14375	3.1
255.17545	5.1
263.20175	4.6
267.15836	4.4
270.70911	3.0
273.14633	5.2
273.18698	35.0
275.16440	4.6
285.10110	3.7
291.16547	4.3
291.19550	52.7
293.17447	12.9
339.23303	4.4
347.22079	15.5
349.21408	15.7
357.24274	5.2
365.23193	7.0
367.22733	23.4
385.23776	33.9
389.23135	3.9
393.22916	3.6
403.24796	9.0
435.23654	6.7
441.26489	8.4
459.27383	41.5
465.28732	5.1
477.28284	17.2
491.30615	15.8
509.27380	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52471	0.8
50.85972	0.8
53.03952	1.6
55.01867	2.0
55.05513	4.4
55.91516	0.8
56.96585	1.0
57.03423	1.2
60.75796	0.8
65.03937	0.7
66.13953	0.7
67.05506	7.4
69.03428	3.6
69.07070	7.3
69.45206	0.8
70.06594	0.9
71.04996	1.2
71.60612	1.3
74.43124	0.8
76.82278	0.8
79.05490	7.0
81.03424	4.8
81.07064	13.1
83.04995	2.7
83.08602	4.0
85.02918	2.7
85.06559	1.8
86.09712	0.9
89.03937	2.2
91.05484	10.6
93.07044	7.5
95.04977	4.7
95.08609	10.4
97.02901	2.3
97.06567	1.1
97.10169	2.0
99.04443	1.2
99.08072	0.9
100.11286	1.0
103.05479	3.6
105.07029	7.9
107.04979	2.7
107.07992	0.9
107.08585	5.7
109.02889	1.1
109.06510	1.8
109.10161	5.9
111.04459	2.6
111.11756	0.9
115.05467	1.3
117.03420	3.6
117.07031	1.9
118.04174	2.1
119.04975	2.1
119.08550	4.0
121.06518	5.1
121.10143	4.0
122.06059	1.1
123.00777	2.0
123.04481	1.4
123.11716	2.7
124.05337	0.9
125.06110	0.9
125.09698	1.5
127.03905	1.8
129.07034	1.3
130.04166	2.7
131.04953	3.8
131.08601	2.1
132.05786	1.4
133.02870	0.9
133.06468	2.0
133.10158	3.3
134.03647	3.3
135.04433	1.7
135.08070	1.4
135.11725	2.6
137.06024	3.3
137.09682	1.3
137.13255	0.9
143.05663	1.4
143.08620	1.7
144.05716	1.0
145.02875	3.6
145.06516	1.9
145.10167	2.6
147.04410	2.5
147.11705	1.8
148.05264	1.2
149.06012	3.1
149.09602	1.0
149.13289	1.8
151.03931	2.0
151.07547	1.6
151.14836	1.8
153.01877	2.0
155.04947	8.6
157.10173	1.6
159.11783	1.4
160.05206	1.2
161.05983	3.0
163.03966	1.6
163.11252	1.8
167.07069	4.2
170.02147	2.0
171.04489	1.2
172.05269	1.2
175.03947	2.2
175.11218	1.1
176.04750	3.2
177.05437	4.7
179.07156	1.0
183.04405	5.7
184.05145	1.0
185.06087	0.9
185.13289	1.1
187.07599	1.9
187.14874	1.0
191.07071	5.1
193.08673	3.0
193.12263	1.3
200.04771	2.4
202.79301	0.9
207.06551	2.7
209.11778	3.1
210.09012	1.0
211.03926	4.8
212.04729	1.9
213.05577	1.1
225.05550	1.2
227.12813	1.7
228.04257	1.8
230.05763	1.5
239.03430	6.4
240.04285	1.2
241.04974	3.0
243.06601	2.0
253.05142	1.0
256.03711	13.0
256.06354	1.2
256.07291	0.8
257.04535	2.2
265.14685	1.0
269.04572	1.9
271.06021	100.0
283.05847	1.1
283.15414	1.1
285.03845	1.2
285.07516	1.3
286.04688	5.0
293.28476	1.2
299.05515	45.4
300.06229	8.8
301.07086	17.7
329.06531	0.9
435.12860	1.1
459.10162	0.9
465.11765	0.9
479.13284	7.9
491.13403	43.7
491.24777	1.7
492.13919	1.0
509.14581	73.4
509.27374	3.4
510.14767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1296
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
51.00825	0.3
55.01866	0.3
61.02913	0.3
64.45800	0.2
67.05493	0.4
68.99793	0.7
69.03448	0.3
70.06575	0.5
71.27424	0.4
81.03425	0.6
85.02898	0.7
87.06731	1.9
91.05489	1.0
93.07037	0.4
95.04992	0.4
97.02900	0.4
99.00816	0.6
103.05502	0.4
105.07011	0.5
109.02904	0.3
110.34750	0.3
112.01579	0.9
119.04945	0.5
121.06542	0.3
125.50624	0.3
127.00274	0.9
127.03886	0.3
131.04959	1.2
131.08580	0.9
133.02872	0.6
133.10150	0.3
140.01099	0.5
141.04149	0.3
143.05650	45.7
144.05728	0.3
147.04431	3.3
149.02321	3.4
149.05905	0.5
150.03119	0.8
151.03894	0.4
159.04431	0.8
159.08072	0.8
160.05190	0.4
161.05963	0.6
164.04701	9.0
165.01768	0.3
168.00562	5.3
169.01340	2.9
173.46097	0.2
183.02904	4.2
185.00804	1.4
186.01611	9.2
187.07576	0.6
188.04659	0.8
189.09048	0.5
191.03407	0.4
205.04996	0.4
216.04172	0.4
219.02637	0.3
229.04999	0.9
230.05760	0.3
233.04385	0.6
240.04126	0.4
244.03653	1.6
258.05255	2.3
259.05997	0.5
261.03891	0.5
268.03683	0.4
269.04526	0.4
272.03201	0.4
286.04736	4.1
287.05560	1.6
291.08810	0.3
299.01868	0.3
300.02731	1.3
301.03925	0.4
301.07031	1.4
303.05017	0.4
314.04230	6.4
315.04977	1.2
317.02985	1.6
329.06488	1.1
332.05261	11.8
347.07626	100.0
348.07956	2.0
372.92419	0.3
428.66748	0.3
509.18707	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1288
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
56.05029	0.8
57.03436	0.5
61.02934	0.6
69.03438	3.3
70.06596	1.2
71.05032	0.5
81.03407	2.0
85.02901	5.5
85.06558	0.5
86.09679	1.0
94.28713	0.5
95.04980	0.6
97.02891	1.5
99.04459	1.3
107.04964	0.7
109.02880	1.0
110.06062	0.8
119.08512	0.5
125.84737	0.6
127.03933	1.1
134.06001	0.6
135.04417	1.7
138.05487	2.7
139.03912	0.7
143.05620	1.4
147.04437	1.2
151.03926	1.4
152.07072	0.6
162.03064	1.4
167.03426	3.3
173.69141	0.6
177.05486	4.0
197.06009	0.7
199.03751	0.6
202.06215	0.9
203.07076	0.6
205.04974	11.0
207.02840	0.7
210.01619	1.2
213.05379	0.6
214.06270	1.4
217.04912	0.6
223.06010	17.8
225.05515	0.6
229.04828	0.7
230.05769	4.9
231.06581	0.9
233.04430	9.6
241.04955	3.0
242.05739	2.5
243.02893	1.3
243.06512	1.8
254.02098	1.5
257.08051	3.2
258.05237	4.9
269.04443	10.5
271.02420	0.9
271.05804	0.6
273.07629	3.6
275.09207	1.2
285.07626	2.0
286.04675	1.8
287.05435	1.5
297.03787	1.2
298.04758	0.8
299.01733	0.6
301.07031	10.6
314.04263	6.9
315.04965	2.0
329.06552	16.2
347.07611	100.0
348.07983	1.1
509.17157	1.2
509.24866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03938	0.9
53.87852	0.6
55.01856	0.7
55.05507	1.1
57.03414	2.1
61.02896	0.8
63.02349	0.6
65.03919	1.0
65.70757	0.5
66.12308	0.6
67.05477	1.3
69.03080	0.8
69.03427	11.5
69.07044	0.6
70.06580	2.0
71.04981	0.8
72.08136	1.1
73.02916	0.7
74.06067	1.1
74.90392	0.6
75.83789	0.6
77.03897	0.6
79.05489	5.2
80.04975	0.7
81.03396	1.8
81.05798	1.3
81.07035	1.2
83.04964	1.1
84.04486	1.2
84.08128	1.9
85.02917	4.6
86.09671	2.2
88.03982	1.3
89.03917	4.3
91.05466	2.7
92.04990	2.9
93.07034	1.3
94.06552	1.0
95.04969	2.2
95.08554	0.7
96.04489	1.0
96.08126	3.1
97.02911	3.1
99.04426	1.2
103.05427	0.7
106.06554	19.8
107.04948	1.1
107.08574	0.7
108.08122	8.1
109.02886	1.5
109.06493	0.6
110.06039	0.7
110.72884	0.6
112.08788	0.7
115.05482	1.2
116.07101	0.7
117.03380	14.9
117.05484	1.5
119.04925	2.6
120.06533	1.0
120.08092	1.2
121.10130	0.7
121.32709	0.5
122.06013	1.3
123.06796	2.6
124.07589	11.9
127.03937	5.2
129.06978	0.6
131.04933	1.7
134.03683	0.9
134.06017	13.4
135.04425	1.5
136.07585	3.8
137.05991	4.0
138.05498	5.8
140.07050	4.8
143.05695	7.9
144.06000	0.8
145.02843	48.4
147.04373	3.4
148.07559	0.9
149.05949	6.0
151.03937	1.1
152.07062	29.1
152.08292	1.4
161.05876	0.7
163.03879	2.5
163.07536	0.9
165.09186	0.6
167.07025	2.0
170.08127	14.7
171.04333	0.8
172.91623	0.6
175.03889	3.7
175.07506	0.7
177.05470	100.0
186.05557	1.4
189.05333	1.0
193.08578	0.8
193.43185	0.8
195.06470	1.9
203.07077	3.6
204.07396	3.9
207.06534	8.2
219.06548	0.7
222.09099	1.2
230.35876	0.6
238.08720	0.6
245.74989	0.5
250.08633	2.9
261.07480	1.3
267.08841	2.5
268.09750	1.5
282.11282	3.8
297.13257	3.5
310.10791	2.1
310.14365	0.6
321.09769	3.7
328.11844	3.7
328.15308	1.0
332.13443	1.3
339.10751	8.6
345.24054	1.4
346.24182	1.4
351.10962	0.6
369.11887	1.2
402.41788	0.6
435.01718	0.6
472.15988	1.8
487.63971	0.6
490.17062	16.0
508.18097	26.7
508.24942	2.0
509.18393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31047	0.4
53.03939	0.8
54.36450	0.4
55.05493	0.4
57.59375	0.4
65.03927	1.5
69.03082	0.5
69.03424	8.3
69.59822	0.4
70.06575	0.6
71.60109	0.5
71.60479	0.5
79.05486	2.8
80.05010	0.4
81.03397	1.0
81.05763	1.0
81.07028	0.4
83.04961	0.3
85.02884	0.9
89.03899	4.4
89.05989	0.5
91.05457	0.9
92.04998	2.8
95.04970	1.0
96.08121	2.5
97.02858	1.3
106.06551	19.7
107.04967	0.7
108.08110	3.7
109.02888	0.9
109.05240	0.5
117.03373	14.1
119.04958	0.7
123.06805	2.1
124.07581	11.6
127.03925	4.4
130.06432	0.4
131.04872	0.4
134.03647	0.9
134.06010	12.7
135.04388	1.7
136.07535	1.9
137.05937	1.9
138.05505	0.8
143.05696	0.7
145.02837	44.2
147.04405	0.9
148.07521	0.8
149.05948	4.9
150.05476	0.4
151.03896	0.9
152.07057	27.4
161.05966	0.5
163.03867	1.0
170.08119	14.9
175.03912	0.5
177.05460	100.0
178.05779	0.6
186.05484	0.8
189.05536	0.6
195.06483	1.5
198.71144	0.3
203.07011	0.7
207.06558	1.0
207.13620	0.4
233.08168	0.8
250.08522	0.5
261.07559	1.4
267.08841	0.6
282.11288	0.7
310.10849	0.6
321.09683	7.0
328.11856	1.0
332.13425	1.0
339.10739	9.5
472.15829	0.9
490.17032	9.4
508.18045	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	507.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	14.8
57.07082	42.9
59.25547	3.4
60.99212	3.0
67.05177	4.8
67.05508	56.8
69.07071	22.0
69.29131	10.7
69.29555	31.3
71.04987	4.0
71.08633	30.0
73.98590	3.3
79.05507	30.0
81.03433	5.9
81.07064	73.9
83.04993	7.4
83.08632	26.6
85.06548	5.7
85.10185	14.9
91.05473	16.2
92.96414	3.3
93.07047	32.8
95.08602	31.4
95.40270	3.5
97.06540	3.9
97.10179	5.1
107.08612	21.2
109.10160	11.2
111.08083	6.5
121.10136	8.0
123.11726	8.0
131.08536	5.6
133.10072	7.4
135.11699	7.0
149.13301	17.6
159.11702	8.1
167.03911	3.5
177.12735	5.4
192.56285	3.4
195.13789	13.3
213.14668	3.9
239.23759	8.0
270.43057	3.7
288.40512	4.6
416.86023	4.0
507.40482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12922	0.9
53.00279	1.2
53.03942	1.8
55.01868	1.7
55.05514	16.0
55.99264	0.9
57.03429	3.7
57.07079	34.7
62.03600	0.9
65.03940	2.1
67.05506	60.1
69.06728	1.6
69.07073	22.7
70.12412	0.8
71.04990	3.4
71.08636	25.9
75.32356	0.8
79.05495	23.2
81.03418	1.4
81.07058	71.2
83.04969	3.0
83.08623	23.8
85.06541	4.0
85.10184	12.9
89.46974	0.8
91.05487	13.5
93.07048	38.5
94.07389	1.0
95.04996	4.9
95.08606	42.5
96.08933	1.1
97.06538	8.0
97.10167	8.0
98.89368	0.9
99.08102	2.1
99.11723	1.4
105.07034	5.1
107.08594	20.8
109.06544	2.1
109.10153	20.2
111.08115	5.4
111.11715	3.3
113.13303	1.0
117.07008	5.9
119.08608	2.5
121.10137	14.5
123.11730	7.5
125.13257	1.5
131.08574	6.0
133.10149	4.0
134.68506	0.9
135.08046	1.1
135.11687	6.9
137.13240	3.6
139.11185	1.8
147.11726	1.4
149.13255	33.0
151.14886	1.0
159.11687	12.7
161.13260	1.0
165.16435	1.2
175.14853	1.2
177.12842	4.9
188.83647	0.9
189.11209	1.1
195.13799	10.8
213.14900	2.5
221.22702	1.7
227.12906	1.6
229.14424	3.0
239.23657	10.3
261.22141	2.3
335.25787	1.5
363.07925	1.0
372.15594	0.9
377.18851	1.3
383.35989	1.1
489.35818	3.6
507.40515	100.0
508.40750	3.9
521.74933	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
51.41915	1.5
53.03943	2.9
53.12640	1.3
53.46655	1.3
55.01858	2.3
55.05264	2.2
55.05510	25.2
57.03445	8.4
57.07063	4.6
59.05000	2.3
65.03944	3.6
67.05505	100.0
69.03411	1.6
69.07063	16.4
69.49391	8.2
69.49819	4.6
71.04993	4.7
71.08638	4.3
71.96606	1.3
76.21116	1.6
79.05060	2.5
79.05494	34.2
81.03412	5.7
81.07056	62.4
82.03764	1.4
83.05003	3.1
83.08622	17.5
85.06532	3.2
91.05482	24.3
93.07042	34.8
95.04964	5.4
95.08609	42.4
97.06538	4.1
97.10173	13.9
99.08096	2.1
105.07023	21.4
107.08593	24.9
109.06506	2.0
109.10154	58.3
109.69006	1.1
111.08076	4.6
113.09658	1.9
116.83047	1.5
117.07018	5.9
119.08588	19.4
121.06475	1.6
121.10138	18.2
123.08030	1.8
123.11739	8.3
125.09620	12.1
129.07043	1.8
131.08606	12.7
131.18269	1.5
132.58118	1.2
133.10114	13.7
135.08047	2.0
135.11693	9.9
137.09602	2.5
137.13237	3.7
141.92619	1.2
143.08556	3.9
145.10132	11.7
147.11691	10.4
149.09686	1.7
149.13205	7.9
155.08507	1.6
155.10663	1.8
157.10139	2.6
159.11690	10.1
160.91672	1.4
161.13300	7.4
163.11145	1.5
163.14833	3.4
169.10201	1.5
171.11650	3.5
173.11746	16.0
173.13278	6.9
175.14792	3.4
183.11765	2.4
185.13240	3.2
187.14810	3.4
189.11212	13.3
195.00259	1.6
199.14920	2.3
227.12776	11.7
227.17941	1.5
229.14359	29.7
231.15839	1.7
235.16963	1.7
243.21092	4.5
249.18279	1.5
257.19427	1.7
259.20490	2.7
261.22183	24.4
277.21637	2.2
279.23157	3.5
289.21564	2.0
317.24814	3.6
333.24377	2.0
335.25787	22.2
379.29993	2.6
394.91525	1.4
397.31055	8.7
415.32227	10.5
421.28983	1.7
431.31555	1.6
433.33163	7.3
435.30746	1.4
465.03427	1.6
471.34512	4.6
489.35849	43.3
507.36649	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	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94678	1.2
53.03941	4.0
55.01862	2.9
55.05264	1.7
55.05508	28.3
57.03435	8.7
57.07077	6.9
59.04987	2.4
65.03918	3.4
67.05499	100.0
68.36980	1.3
69.03406	3.5
69.07062	17.8
70.45393	1.2
71.04977	5.0
71.08620	2.8
75.50828	1.2
79.05482	32.3
81.03425	2.6
81.07051	66.2
83.04980	2.7
83.08612	16.0
85.06528	3.6
91.05479	21.0
93.06474	2.5
93.07039	39.2
93.21366	1.2
95.04970	3.8
95.08603	46.9
97.06509	2.8
97.10162	16.4
97.98196	1.4
98.20700	2.6
105.07027	19.0
107.08585	27.8
109.06494	1.8
109.10150	56.4
111.08035	2.7
117.07011	8.7
119.08568	17.8
119.16861	1.4
121.10129	21.7
123.08052	2.3
123.11715	8.9
125.09609	14.4
129.06963	3.3
131.08563	12.8
133.06487	1.4
133.10121	14.3
135.08047	3.1
135.11688	12.6
137.09592	2.9
137.13235	3.2
139.11122	1.5
139.30637	1.4
143.08556	4.2
145.10107	12.9
147.11661	11.3
149.09639	1.7
149.13269	9.4
155.10623	3.1
157.10150	2.0
159.11693	9.8
160.99942	1.4
161.13258	7.9
163.14833	3.7
171.11676	4.0
173.11708	14.2
173.13242	8.4
175.14835	3.0
177.12665	1.6
185.13252	4.0
187.14807	4.5
189.11224	10.6
195.00278	11.2
197.13269	1.6
201.16347	1.7
227.12752	11.3
229.14325	27.2
229.58940	1.8
231.15758	2.0
243.21025	3.3
259.20477	4.4
261.22147	24.2
263.23676	2.5
279.23087	2.4
291.23074	1.5
313.27255	2.6
317.24771	5.2
335.25729	19.6
357.99265	1.4
379.30069	3.5
391.72107	1.6
397.31180	8.1
415.32104	8.0
433.33228	8.8
471.34409	2.7
489.35693	44.8
507.26819	2.2
507.28351	2.5
507.36713	33.8
527.27496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
50.87693	1.6
51.93121	1.6
53.03943	3.5
55.01881	3.8
55.05266	2.2
55.05515	27.7
57.03432	7.3
57.07077	4.4
59.04991	2.8
60.56609	1.5
62.22254	1.6
65.03952	3.3
67.00904	1.6
67.05508	100.0
69.03418	2.4
69.07069	16.5
69.46297	15.0
71.04991	5.3
71.08614	1.8
73.59646	1.6
75.82350	1.8
79.05495	29.7
81.07059	67.6
82.07320	1.7
83.04948	3.3
83.08627	17.4
85.06557	4.8
89.06749	1.4
91.05485	19.2
93.07052	39.1
95.04977	5.0
95.08611	46.6
97.06531	3.3
97.10168	15.1
98.21520	3.1
105.07037	17.1
107.08603	27.7
109.06545	2.8
109.10162	62.4
111.08099	4.7
115.05457	1.6
117.07029	9.5
118.52387	1.5
119.08588	19.6
121.10143	21.4
123.11743	8.5
125.09638	13.5
129.07048	3.1
131.08589	11.7
133.10162	12.2
133.15044	1.6
135.08060	2.3
135.11713	15.0
137.09621	2.8
137.13263	3.8
139.11177	2.8
143.08533	3.3
145.10135	13.1
147.11729	9.3
149.09613	2.2
149.13258	7.2
151.11108	2.0
155.10718	2.9
159.11707	11.7
161.13271	5.7
163.11119	2.0
163.14847	5.4
165.12889	2.5
169.10167	2.3
171.11722	3.6
173.11763	16.7
173.13292	8.5
175.14821	2.6
185.13242	3.0
187.14912	4.8
189.11241	8.1
227.12791	14.1
229.14366	37.3
231.15855	2.7
243.21138	5.2
259.20526	4.6
261.22153	26.3
279.23322	2.5
291.23309	2.4
317.24796	5.0
328.01105	1.6
329.24832	1.6
333.24289	2.3
334.59827	2.1
335.25772	23.5
379.29907	4.0
397.31198	8.3
403.68320	1.6
415.32092	13.5
433.33185	7.0
471.34512	4.0
489.35806	45.9
507.36722	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	507.3682
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03940	2.0
55.01872	2.8
55.05511	29.6
57.03438	8.1
57.07074	10.3
58.19119	0.9
59.04990	3.0
65.03934	2.3
67.05504	100.0
69.03410	1.3
69.07067	19.7
70.72961	0.9
70.73798	3.3
71.04976	3.8
71.08631	6.3
79.05489	35.5
81.03400	1.1
81.07055	62.8
82.07349	1.2
83.04976	3.5
83.08617	19.6
85.06533	3.9
85.10178	4.5
91.05486	22.1
93.06475	2.2
93.07043	37.1
95.04946	3.5
95.08603	44.5
97.06523	4.1
97.10165	15.5
99.08096	2.0
105.07025	15.2
106.84966	1.0
107.08592	23.8
109.06506	2.2
109.10157	57.9
111.08084	3.6
115.05440	1.2
117.07006	7.9
119.08588	16.9
121.06495	1.1
121.10139	15.7
123.08049	1.5
123.11699	8.3
125.09621	10.2
129.06996	1.5
131.08563	14.5
131.19135	1.1
133.10135	13.8
135.08067	3.2
135.11688	12.3
137.09616	2.3
137.13261	2.7
139.11203	2.6
141.12770	1.0
143.08575	3.3
145.10129	11.3
147.11699	8.5
149.09651	1.3
149.13268	10.1
151.14777	1.7
153.09062	1.5
155.10649	1.8
155.57973	1.1
157.10114	2.4
159.11682	10.8
161.13251	6.7
163.14828	3.9
171.11693	2.5
173.11743	13.9
173.13275	6.7
175.14764	2.2
177.12779	1.4
177.16386	1.2
185.13304	1.7
187.14796	4.5
189.11177	9.5
189.16217	1.1
195.13779	2.4
201.16487	1.2
213.16411	1.7
227.12723	10.3
229.14337	27.2
231.15839	2.4
239.23764	1.9
243.21170	3.3
259.20538	2.4
261.22144	18.9
263.23560	1.7
279.23315	1.1
289.21777	1.3
317.24634	1.9
317.69775	1.0
335.25845	14.8
379.29749	4.9
397.31143	7.6
414.78497	1.5
415.32184	9.0
433.33209	7.6
471.34625	5.3
489.35721	33.2
507.36804	20.3
508.37631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03934	3.2
55.01874	1.5
55.05505	32.5
57.03436	9.3
57.07076	11.3
57.90471	1.1
59.04998	2.4
65.03932	3.5
66.06459	1.2
67.05501	100.0
69.03426	2.0
69.07062	18.6
71.04979	3.6
71.08611	5.8
79.05058	2.2
79.05488	32.2
79.45770	1.1
81.03413	3.5
81.07053	74.9
83.04974	2.7
83.08617	20.2
85.06527	3.1
85.10168	3.8
87.40159	1.2
90.61880	1.1
91.05479	24.0
93.07035	43.2
95.04966	4.6
95.08600	50.3
97.06526	4.9
97.10170	18.0
99.08072	1.6
105.07026	19.4
107.08591	31.2
107.09291	2.3
109.06507	1.8
109.10151	58.4
110.10555	1.6
111.08067	4.5
117.06990	9.1
119.08577	17.4
121.10139	20.2
123.08099	1.9
123.11709	11.1
125.09619	13.4
129.06996	3.2
131.08548	12.9
133.10126	12.4
135.08025	2.0
135.11679	13.2
137.09616	3.1
137.13271	3.1
139.11157	1.9
141.07050	1.3
143.08559	3.4
145.10095	13.0
147.11674	9.6
149.09627	1.6
149.13284	11.5
151.14874	1.5
153.09135	1.6
155.10681	2.9
157.10159	3.3
159.11707	12.2
161.13298	5.5
163.11212	1.8
163.14824	4.5
169.10170	1.6
171.11702	3.0
173.11737	9.4
173.13274	6.6
175.14851	2.6
177.12762	2.1
179.14366	1.4
183.11765	3.1
185.13303	3.6
187.14828	5.5
189.11162	8.4
195.13881	1.2
197.13176	1.5
201.16383	1.5
213.16504	1.3
227.12758	11.3
229.14339	28.5
229.40352	1.4
230.53334	1.3
231.15887	1.5
239.23711	1.2
241.19713	1.5
243.21127	3.5
251.77608	1.4
259.20557	3.5
261.22131	25.5
263.23657	3.1
271.20444	1.9
277.21674	1.3
279.23254	2.2
289.21735	2.0
291.23328	1.3
299.23550	1.3
317.24780	3.9
333.24286	2.7
335.25830	19.4
379.29907	3.4
397.30872	7.6
415.32108	10.8
433.33255	7.6
445.32794	1.3
471.34686	5.4
489.35703	42.5
490.35736	1.4
507.37042	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	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18740	1.5
53.03951	2.2
55.01865	1.8
55.05508	16.9
56.96564	1.5
57.03438	4.1
57.07070	8.1
57.85997	1.8
59.04985	1.9
62.45462	1.5
65.03941	2.0
67.05508	34.1
68.93500	1.7
69.03423	11.1
69.07071	35.0
70.06557	1.9
71.04979	5.0
71.08598	2.3
71.60892	2.3
79.05500	17.3
81.03410	7.5
81.07060	100.0
83.04989	2.8
83.08617	14.8
85.02908	17.4
85.06547	52.7
85.36404	1.7
86.09684	4.6
91.05477	13.3
93.07041	32.3
95.04970	6.5
95.08607	72.0
97.02898	4.0
97.06527	3.4
97.10155	6.0
99.08091	17.2
103.05479	3.2
105.07032	12.9
107.04933	2.4
107.08600	38.9
109.02882	3.4
109.06519	2.3
109.10155	40.7
111.08073	8.0
111.11733	5.3
113.09636	3.5
119.04945	4.3
119.08575	8.2
120.08077	2.0
121.06530	2.5
121.10140	23.8
123.04404	2.4
123.08108	1.8
123.11715	36.3
125.09621	9.6
127.03922	4.5
127.07558	1.5
127.11209	3.1
131.04887	3.4
131.08575	2.3
133.10121	6.5
135.11684	15.7
137.05963	14.9
137.13248	14.5
139.11182	4.5
143.05658	10.8
145.02805	4.4
145.05037	3.3
145.06389	2.0
145.10040	1.7
147.04395	2.3
147.11671	5.8
149.05992	2.1
149.13274	31.8
151.03928	1.6
151.07607	1.8
151.14818	4.9
153.12755	6.4
159.11726	1.8
159.13626	1.8
161.06036	2.3
161.09702	2.1
161.13287	5.3
163.03911	1.9
163.07556	4.3
163.11147	1.9
163.14874	12.6
165.16331	2.1
167.07060	6.5
167.10797	1.8
167.14328	4.6
171.11655	3.4
171.13788	2.9
175.03889	3.3
175.07512	1.7
175.14954	2.3
177.05481	5.0
177.16386	9.4
179.18088	1.6
181.04965	1.9
189.16383	2.0
191.07030	2.9
191.17976	3.4
195.17441	6.1
203.07059	2.4
203.17989	1.8
207.06558	3.5
209.19028	2.0
213.18504	11.0
217.08806	1.9
217.19583	4.5
221.19051	1.9
235.20436	2.2
273.25790	5.7
279.26852	9.6
291.26813	25.6
297.27835	9.7
309.27826	27.2
312.06482	2.4
313.11111	2.1
327.08530	13.1
327.28882	10.0
345.09717	15.0
345.29901	2.2
507.12543	1.8
507.25156	3.1
508.19971	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01878	7.6
55.05513	18.8
56.96561	4.4
57.03437	4.7
57.07067	7.2
61.02932	4.7
64.65555	2.7
65.03958	3.7
67.05206	3.4
67.05509	28.9
69.03445	14.0
69.07069	61.4
69.07416	5.2
70.06585	4.4
71.04994	7.7
71.20492	6.2
72.08177	2.9
73.58600	2.5
79.05495	24.1
81.03419	9.3
81.07059	100.0
83.04987	5.7
83.08630	17.0
85.02911	21.2
85.06548	21.5
86.09696	4.0
87.06715	3.6
91.05482	21.8
93.07049	38.8
95.04416	2.8
95.04979	11.9
95.08607	75.0
97.02894	9.1
97.06523	8.6
97.10181	10.6
97.58138	3.0
98.97561	2.4
99.08097	10.7
103.05476	6.1
105.07037	20.4
105.69686	2.7
107.04946	5.2
107.08606	34.7
109.06540	8.2
109.10162	34.7
110.07102	2.6
111.02337	2.4
111.04463	2.7
111.08088	15.0
111.11739	15.9
113.09641	3.1
116.98607	3.0
117.07056	3.0
119.04948	9.7
119.08585	14.6
121.06528	7.3
121.10152	26.6
122.06078	4.9
123.04433	6.4
123.08010	3.0
123.11708	30.7
125.09624	8.0
127.03920	9.2
129.06972	2.7
131.04922	5.1
131.08568	3.9
133.06473	3.2
133.10132	8.4
134.99631	3.5
135.08041	5.6
135.11676	17.6
137.02353	3.0
137.05968	23.3
137.13266	17.2
139.11189	9.1
142.07735	3.9
143.05652	45.8
143.08536	3.2
145.02844	3.4
145.06381	3.4
145.10124	7.9
147.04434	7.6
147.11690	9.1
149.06044	4.1
149.09615	4.4
149.13271	27.4
151.07544	6.6
151.14890	3.3
153.05563	3.2
153.12740	11.2
155.14328	3.6
157.10138	5.1
159.08075	3.7
159.11656	4.5
161.05940	6.6
161.09596	5.0
161.13268	5.5
163.07474	6.1
163.14848	9.5
165.09129	4.6
167.07082	10.4
167.14336	5.4
168.32391	2.9
169.10141	2.7
171.13983	3.0
173.13200	3.0
176.07109	4.0
177.05467	16.5
177.16396	4.7
179.10602	2.8
181.04961	4.1
189.16455	2.6
191.07094	4.0
199.07639	4.7
203.17903	4.1
207.06583	9.8
247.64186	2.8
251.11018	3.8
279.26862	3.9
291.26889	14.8
297.27921	7.5
298.04419	2.8
299.05557	8.6
302.09567	2.7
303.05240	3.2
309.27939	32.2
322.14209	3.1
327.28992	4.5
329.06567	3.2
335.12982	4.0
345.09503	4.7
350.92392	3.2
358.16422	4.0
445.09091	2.8
507.12799	14.8
507.19116	8.5
508.20465	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	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	29.9
55.07577	7.5
57.07063	21.6
58.41200	8.3
65.97245	8.1
67.05517	55.1
69.03417	17.8
69.07069	49.7
69.46590	85.7
71.04987	14.9
79.05483	44.0
81.03405	16.4
81.07055	100.0
83.08614	29.8
85.02906	19.2
91.05459	30.0
93.07043	66.4
95.04967	21.4
95.08618	95.0
95.86745	9.3
97.02856	10.3
97.06497	17.1
105.07037	49.9
107.04948	12.5
107.08607	47.3
109.02843	11.2
109.06549	13.0
109.10151	57.3
116.38528	8.6
119.08582	30.0
120.57395	8.5
121.06532	12.4
121.10137	30.6
123.08046	13.4
123.11679	27.3
127.03915	10.2
131.08565	11.1
133.10136	25.6
135.08038	12.0
135.11662	24.6
137.05954	15.3
137.13225	10.0
143.05682	20.0
147.04384	12.9
147.11626	12.0
149.09627	13.4
149.13284	19.9
151.14732	13.2
157.10103	11.6
160.92984	9.1
162.91206	9.8
163.14690	12.5
166.66640	10.1
167.07022	8.7
171.11700	11.7
193.08618	17.6
207.06599	14.7
279.26920	11.3
291.27005	14.3
470.68536	9.4
502.50754	9.5
503.95648	8.9
507.22519	10.1
507.34021	12.2
513.85083	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	507.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01864	0.8
55.05510	6.8
57.03435	2.6
57.07073	1.2
63.02365	0.3
67.05502	8.9
69.03429	0.6
69.07069	8.2
71.04987	1.0
71.22115	0.6
73.41281	0.2
78.47765	0.2
79.05489	5.0
81.03401	0.5
81.07054	11.4
82.07374	0.3
83.04993	0.4
83.08615	5.4
84.96454	0.2
85.02869	0.3
85.06541	0.7
87.79224	0.3
89.03908	4.9
91.05477	3.6
93.07044	4.6
93.19165	0.3
95.04949	1.1
95.08609	9.3
97.02887	0.2
97.06522	1.1
97.10162	4.5
99.08099	0.6
102.16171	0.2
105.07024	2.0
107.04960	1.8
107.08600	3.3
109.06551	0.5
109.09459	0.4
109.10155	5.1
111.04412	0.5
111.08071	0.6
111.11720	1.2
117.02626	0.2
117.03370	6.1
117.07046	0.4
119.08577	2.1
121.02836	0.5
121.10141	3.7
123.08048	0.4
123.11697	1.9
125.09629	0.6
125.13232	0.3
127.07516	0.3
131.08530	0.5
133.10123	2.2
135.04414	14.1
135.11691	3.9
137.09612	0.4
137.13234	0.7
139.11171	0.5
145.02844	10.3
145.10135	0.3
147.11696	1.0
149.13248	0.7
151.11182	0.5
151.14857	0.6
153.12737	0.8
161.13260	1.4
163.03902	100.0
164.04205	0.6
165.12737	0.6
175.14867	0.5
179.14339	0.3
181.04958	9.9
186.05531	0.4
217.19499	2.9
235.20570	3.4
237.07620	1.3
239.14253	0.3
253.21629	1.0
309.24286	3.5
327.25287	17.3
328.25455	0.3
392.24927	0.3
416.15247	0.3
489.28424	0.8
507.29480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.2
55.05521	4.6
55.62911	0.7
56.05036	11.3
57.01388	0.6
57.03434	1.0
57.07074	1.7
59.04994	1.1
61.02929	1.3
65.03960	1.0
67.05506	5.9
67.64103	0.7
68.05022	0.9
69.03433	4.8
69.07073	5.5
70.06593	5.4
71.04982	2.4
71.12276	1.4
72.04519	1.6
72.08154	0.7
73.02885	0.9
74.02432	1.2
74.06085	37.0
79.05490	5.6
80.05029	0.8
81.03426	3.2
81.07059	14.2
82.06577	1.5
83.04967	1.3
83.08620	3.2
84.04512	1.8
84.08151	1.3
85.02438	0.9
85.02913	10.3
85.06534	4.4
86.06058	1.0
86.09708	1.1
87.04464	1.2
91.05486	6.5
93.07050	14.2
94.06547	0.8
95.04961	2.0
95.08612	17.2
97.02914	3.5
97.06506	1.0
97.10156	1.5
99.04455	0.9
99.08098	3.1
102.05545	5.1
105.07031	9.6
106.06545	1.4
107.04980	1.0
107.07872	1.4
107.08599	25.0
108.08123	1.4
109.02911	2.5
109.06517	1.5
109.10168	9.8
110.06004	0.8
110.09731	0.8
111.04451	0.8
111.08078	1.4
113.09621	0.8
116.07094	1.9
116.98619	0.9
117.06990	1.2
118.05005	0.8
119.04930	0.7
119.08589	17.8
119.24475	0.7
120.06590	33.3
120.08038	8.5
121.08450	1.9
121.10153	13.3
122.09657	0.8
123.04451	1.3
123.08083	2.2
123.11739	4.8
124.07596	1.2
127.03916	2.0
131.08582	2.5
133.06474	0.7
133.09137	0.9
133.10133	14.5
134.09654	2.5
135.07642	1.0
135.11703	13.8
136.07565	0.8
137.05972	1.7
137.09604	2.9
137.13182	1.3
138.05530	3.3
139.03902	1.8
139.05869	0.9
143.05643	3.8
145.02858	1.2
145.05017	0.9
145.10114	0.9
147.04504	1.2
147.11694	4.0
147.12767	0.8
148.11287	1.6
149.13277	3.8
151.03954	1.2
151.11247	1.3
152.07062	0.7
163.14845	7.1
164.10745	1.0
165.16400	2.9
170.11790	0.8
173.13295	2.2
175.14836	23.7
177.00674	0.8
177.05499	1.9
180.13808	1.0
181.00459	0.7
181.16069	0.7
184.09688	2.1
190.15910	5.0
191.14375	1.0
193.15906	20.0
208.16975	8.7
209.15503	0.8
210.07510	0.7
211.16936	28.4
226.18050	10.5
228.08714	4.0
239.05638	0.9
316.16919	0.7
327.22693	4.8
328.21085	0.8
337.32675	0.8
343.22156	1.5
344.22681	1.0
345.23849	100.0
346.17661	0.8
346.24219	1.3
369.05759	0.9
387.24936	1.6
392.20313	1.1
423.24988	0.7
427.86890	0.7
453.26340	0.8
461.76236	0.9
471.26837	1.1
489.27817	3.2
507.17126	1.1
507.23874	1.4
507.29596	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	507.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01854	1.4
55.05500	5.9
56.04786	0.8
56.05037	10.6
57.03428	2.8
57.07073	1.9
61.02919	2.1
65.03930	1.3
67.05498	7.5
68.05012	1.4
69.03425	7.4
69.07069	6.7
70.06580	4.6
71.04982	2.1
71.60255	0.7
72.04509	1.2
72.08151	1.4
73.02933	0.9
74.02436	1.7
74.06078	41.7
79.05492	8.7
80.05013	1.9
81.03419	5.3
81.07050	15.4
82.06572	2.2
83.04986	2.1
83.08618	3.8
84.04479	1.0
84.08120	2.2
85.02904	14.5
85.06530	5.0
86.09718	1.6
87.06705	1.0
89.03903	1.4
89.06015	0.7
91.05479	7.1
93.07039	17.6
94.06572	1.9
95.04946	2.9
95.08604	16.2
96.08095	1.4
97.02879	5.3
97.10159	2.0
98.06042	1.1
98.97525	0.8
99.08092	4.3
102.05553	5.5
103.05472	0.9
105.07025	11.9
106.06554	4.1
107.04929	0.9
107.07861	1.4
107.08591	27.1
108.08116	2.2
109.02870	2.6
109.06496	2.2
109.10146	11.3
110.06047	1.1
111.04404	0.8
111.08096	2.0
112.07583	0.8
113.09642	0.8
115.05460	3.2
116.07075	1.5
117.03384	2.0
117.06995	1.6
119.04954	1.7
119.08575	17.8
120.06573	43.5
120.08051	2.3
121.10132	14.7
122.05972	1.3
122.09667	1.3
123.11699	4.7
124.07599	2.4
124.11225	1.1
127.03891	2.9
127.11158	1.2
131.04897	1.3
131.08559	3.1
133.10123	17.5
134.05983	1.7
134.09610	3.8
135.07716	0.8
135.11678	12.1
136.07579	1.3
137.05969	3.1
137.09613	2.0
137.13185	0.9
138.05502	6.2
138.12883	0.7
139.05858	1.8
140.07054	1.9
143.05661	21.2
145.02829	9.0
145.04936	1.0
145.10114	2.0
146.99738	1.0
147.04414	1.9
147.08023	0.7
147.11671	4.4
148.11197	1.9
149.05954	1.4
149.09615	1.0
149.13246	4.2
149.89671	0.7
150.12810	0.8
151.03903	2.1
152.07088	4.9
152.10680	1.4
160.05173	1.0
161.05937	1.3
161.13319	1.0
162.07585	0.7
162.12852	0.6
163.04001	0.9
163.07509	1.3
163.14778	7.0
164.07066	0.8
165.16385	2.0
170.08176	1.9
170.11748	0.7
171.04402	1.2
173.13240	3.8
174.05460	0.9
175.03857	1.5
175.07559	0.9
175.14816	23.4
177.05467	15.3
179.07079	0.8
180.06664	0.8
180.13853	0.8
184.09685	1.7
188.04666	1.5
190.15919	6.6
193.15871	17.0
198.07689	1.0
203.07019	15.5
207.06511	2.8
208.16939	12.6
209.17609	1.6
210.07495	0.6
211.16911	22.8
226.17990	12.6
228.08661	5.2
244.18967	0.9
246.09610	1.1
257.18857	0.6
285.12061	0.7
299.09451	0.9
310.19873	0.8
321.09607	0.8
327.22748	6.5
328.12225	0.7
328.20966	1.0
339.10889	1.2
345.23822	100.0
346.24255	0.8
387.24844	2.0
453.25723	1.0
489.27795	2.9
490.16760	0.9
507.17224	4.2
507.29623	12.7
508.18127	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	507.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96596	0.3
60.43300	0.3
69.03412	0.7
70.06580	1.2
71.04974	0.4
71.14468	0.9
72.08130	0.3
74.06065	0.5
77.17196	0.3
79.05491	0.3
79.62212	0.3
81.03412	0.4
81.07040	0.5
83.04993	0.4
84.04494	0.6
84.08142	0.9
85.02869	0.7
85.07622	0.5
86.09702	0.9
91.05470	0.8
93.07034	0.4
95.04981	0.6
97.02905	0.6
97.06546	0.4
103.05530	0.3
105.07024	0.5
107.04899	0.3
107.08620	0.3
109.02918	0.4
109.07608	0.3
116.98592	0.5
119.04914	0.7
120.08099	0.3
123.08103	0.4
127.03909	0.7
136.07553	0.3
137.05974	1.8
138.05521	0.6
138.09039	0.3
143.05630	2.5
145.02815	0.5
146.06026	0.4
147.04413	0.8
151.03854	0.4
151.07524	0.4
152.07045	0.5
161.05971	0.5
167.06982	0.6
168.68703	0.3
177.05441	1.1
183.92732	0.3
184.09798	0.3
186.99156	0.8
189.08086	0.3
189.36296	0.3
199.09407	0.6
206.08098	0.3
207.06558	0.9
208.06888	0.4
211.16708	0.3
226.17841	0.3
245.86398	0.3
301.07230	0.5
301.12576	1.8
344.03833	0.3
345.09799	0.4
345.14072	0.3
352.59830	0.3
355.12329	0.3
359.10104	0.6
361.14648	12.2
393.08432	0.4
447.18365	4.3
507.20483	100.0
508.20703	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	507.1501
Annotation	Vittariflavone
Peak:m/z	Relative Intensity
52.67304	0.2
53.03935	0.3
53.13498	0.3
54.44019	0.2
55.01855	0.3
55.05503	0.3
57.86470	0.3
61.02905	0.3
67.05506	0.6
69.03410	1.0
69.53700	1.0
69.54137	1.1
79.05490	0.3
81.03407	0.6
81.07037	0.7
85.02904	2.3
85.06541	0.4
86.09700	0.3
93.07076	0.3
95.08596	0.6
97.02878	0.8
98.20768	0.5
105.07006	0.3
107.01315	0.6
107.08588	0.6
108.02105	0.6
109.02860	0.8
109.10132	0.5
123.11680	0.3
131.04933	0.6
133.02928	0.6
135.11633	0.4
137.05981	0.7
141.06961	0.3
143.05649	0.3
148.05168	1.1
149.05977	0.5
151.03946	0.5
157.06567	0.4
167.07072	0.3
168.05742	0.5
179.03334	0.4
185.05959	1.1
196.05212	0.8
213.05431	1.8
223.03856	0.4
227.06992	0.4
241.04938	6.4
255.06548	0.9
256.07309	7.3
259.06009	1.0
269.04465	3.6
271.06290	0.3
284.06784	27.8
285.07074	0.3
287.05536	1.4
297.03925	0.6
300.06226	0.3
301.07040	0.7
311.05417	0.6
312.06284	22.2
313.06799	0.7
315.05099	2.0
327.08621	4.7
329.06577	1.6
330.07327	23.7
343.08197	0.4
345.09680	100.0
346.09982	1.4
466.51083	0.3
507.15036	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.8
56.96547	0.8
57.03418	0.7
61.02924	1.6
65.03955	0.8
65.30786	0.6
69.03419	2.7
70.06593	0.9
71.60120	1.0
81.03406	2.0
83.04964	0.8
84.08162	0.8
85.02901	12.5
87.06702	1.0
91.03979	0.7
91.05471	6.3
95.04948	1.0
97.02885	3.8
99.04451	1.0
109.02884	2.0
110.06046	1.0
111.04408	0.8
111.53684	0.7
119.04943	20.1
123.04440	1.4
124.23065	0.7
127.03880	3.5
137.05989	0.8
138.05492	1.6
139.03860	0.9
143.05641	19.4
145.04968	3.0
146.03288	0.7
147.04405	100.0
161.06035	1.1
163.03918	2.1
163.05943	0.9
165.05473	46.5
167.07077	2.8
177.05447	1.1
192.07796	1.5
202.10818	1.4
221.08122	2.0
231.06526	3.2
237.02664	1.2
277.07150	1.0
310.07846	0.7
312.79440	0.8
328.13739	1.3
364.15967	0.8
376.14572	2.6
385.11234	6.2
506.17480	2.4
515.72528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01859	0.8
57.03405	0.2
57.07063	0.4
57.43507	0.2
60.42564	0.2
67.05485	0.3
68.05464	0.2
69.03435	1.1
69.07063	0.4
69.79400	1.2
70.02948	0.5
71.04975	0.3
72.04518	2.0
73.02924	1.2
81.03430	1.2
83.04964	0.6
85.02893	0.9
85.06527	0.5
86.09711	0.3
87.06722	3.6
87.08121	0.2
89.19201	0.2
89.81202	0.2
90.05553	2.7
95.04971	0.4
96.08089	0.2
97.02885	1.0
98.02382	1.1
98.95135	0.2
99.04437	0.5
100.03976	0.6
103.07547	0.2
109.02877	2.0
113.05984	0.4
116.03443	1.9
124.07590	2.1
127.03915	1.3
129.59552	0.2
132.06575	1.2
138.05528	0.6
141.04068	0.9
142.08655	1.6
143.05637	100.0
144.06021	0.3
145.04948	1.0
147.04417	0.8
153.22989	0.2
160.09669	0.5
163.03891	0.2
169.04974	0.2
174.11273	0.5
184.09691	2.4
185.06685	0.4
187.06102	0.2
198.07645	0.5
199.06007	0.5
202.10745	6.6
211.09683	0.8
216.08760	1.1
217.07112	0.3
220.11789	1.6
230.10266	0.9
231.06575	0.3
233.06740	0.3
234.09723	3.5
262.12842	1.6
305.10788	0.5
310.12753	0.6
328.13885	5.7
346.14929	1.4
364.16086	1.9
373.21768	0.3
376.14609	12.6
377.14923	0.3
488.19864	1.4
506.20975	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	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94495	0.9
53.03944	4.3
55.01865	3.3
55.05509	16.7
57.03438	3.4
57.07075	47.2
59.05005	1.5
65.03938	2.6
66.29018	0.7
67.05505	47.8
68.71140	0.8
69.03433	2.1
69.07072	15.4
69.16078	0.9
69.26315	4.0
69.26736	5.2
71.05009	2.1
71.08631	36.5
76.12577	0.8
78.62822	0.8
79.05490	21.4
81.03418	97.6
81.06578	2.0
81.07055	37.9
83.04979	5.5
83.08615	32.6
85.02898	1.1
85.06532	2.7
85.10180	17.3
91.05481	25.8
91.06010	1.7
93.07042	16.0
95.04965	31.1
95.08609	35.6
97.02897	2.7
97.06534	1.3
97.10170	8.8
98.21513	1.9
99.08066	2.1
99.11745	1.2
105.07027	18.7
107.04975	6.9
107.08585	7.4
108.20206	0.7
109.06525	2.2
109.10158	26.7
111.04446	1.2
111.08064	8.5
111.11725	2.4
115.05450	2.2
117.07030	3.3
119.04976	1.4
119.08582	19.3
121.06512	2.7
121.10139	7.4
123.04407	1.6
123.08054	1.8
123.11706	6.4
125.09603	1.5
125.13260	1.0
129.06992	10.3
131.08577	9.4
133.06538	3.5
133.10176	5.9
135.11722	3.1
135.75246	0.9
137.09657	1.7
137.13309	2.6
142.07819	3.2
145.10173	3.0
147.08067	3.0
147.11658	9.3
149.09650	3.3
149.13350	1.2
151.14856	2.1
157.10141	12.0
159.11720	1.4
161.13297	2.7
165.12735	1.8
165.16408	1.0
173.11786	2.0
173.13301	1.5
175.11174	9.6
179.14331	6.0
185.13329	1.2
189.11188	1.0
192.98943	0.9
193.12241	59.3
221.22781	1.0
222.33812	0.8
227.12735	1.7
229.14369	4.5
231.13841	1.5
234.52554	1.0
235.57155	0.9
239.23663	8.9
241.19603	2.6
249.14912	6.8
255.68578	1.0
259.20712	5.4
261.22241	1.1
276.94193	1.0
277.21719	3.6
333.24408	2.2
444.47659	0.9
487.34036	1.3
491.86145	1.0
505.39005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01855	1.8
55.05514	20.4
55.68075	0.9
57.03432	2.8
57.07077	49.1
65.03939	2.5
67.05505	48.7
68.54708	1.0
69.03436	2.5
69.07072	13.6
69.78030	0.8
69.86616	1.0
71.05008	2.8
71.08636	37.8
79.05494	21.3
81.03420	100.0
81.07059	35.5
83.04993	4.2
83.08623	34.5
85.06551	2.4
85.10188	16.3
91.05479	26.7
91.06010	1.7
93.07037	16.1
95.04974	28.0
95.08612	36.5
96.38679	1.1
97.02918	1.6
97.06515	1.2
97.10169	9.1
98.20741	3.5
99.08089	2.5
99.11722	1.3
105.04573	1.1
105.07032	20.7
105.07695	1.7
107.04970	6.1
107.08612	8.1
109.06538	3.3
109.10161	29.0
111.04468	2.0
111.08079	9.0
111.08693	1.0
111.11758	1.4
115.05470	1.5
117.07027	3.1
119.08595	18.1
121.06509	2.3
121.10130	8.0
123.04456	1.3
123.08045	1.9
123.11739	7.9
125.09630	1.7
125.13297	1.8
128.06262	1.1
129.07022	12.3
129.80133	0.9
131.08571	9.0
133.06512	3.4
133.10139	8.1
135.08018	1.4
135.11726	3.3
137.09644	2.7
137.13280	3.3
142.07802	2.7
142.52248	1.0
145.10153	3.3
147.08122	2.7
147.11696	11.2
149.09656	4.6
149.13297	1.5
151.11292	1.7
153.04674	0.9
157.10120	12.1
159.11707	1.8
161.13306	3.8
165.12811	2.2
171.11716	1.1
173.11845	3.0
173.13300	1.9
175.11205	11.2
175.14796	1.9
179.14276	5.1
185.13342	1.9
189.11388	1.2
193.12251	65.1
194.12700	1.6
220.29732	1.0
221.22731	1.4
227.12845	1.3
229.14355	6.8
234.03502	1.0
239.23730	11.3
241.19601	2.5
249.14879	7.6
259.20532	6.8
277.21838	2.9
304.50574	1.0
333.24332	4.3
340.51486	1.2
353.72064	1.1
505.39066	97.2
506.39407	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37359	1.8
55.01862	2.3
55.05511	14.4
57.03434	9.9
57.07069	2.6
59.05017	2.3
65.03947	2.7
67.05505	100.0
69.07072	7.3
71.04996	5.2
71.60767	2.0
71.61195	2.4
78.62103	1.7
79.05492	22.3
79.56877	1.6
79.81536	1.9
81.07058	32.0
83.08624	7.0
85.06554	3.8
91.05482	32.6
93.07059	26.8
95.04965	5.4
95.08611	21.2
97.06499	2.1
97.10181	3.0
99.08091	2.2
102.10413	1.8
105.07037	33.4
107.08607	15.3
109.06512	2.9
109.10159	65.5
111.08092	3.4
113.09623	2.2
117.07011	8.2
119.08583	34.6
121.10105	9.8
123.11652	2.7
125.09644	2.5
129.07016	4.6
131.08577	13.1
133.10121	26.5
135.11697	9.7
137.09633	4.2
141.07037	1.8
143.08565	4.7
145.10132	10.4
147.11697	22.0
149.09628	2.1
149.13332	8.7
155.10684	2.4
157.10172	5.7
159.11691	9.0
161.13263	19.9
163.14850	3.3
171.10301	2.4
171.11714	6.5
173.11742	26.2
173.13280	7.6
175.14833	7.1
185.13275	6.1
185.77829	1.9
187.14864	3.1
189.11183	2.8
199.14861	3.7
217.19554	1.8
218.08423	2.0
227.12833	7.7
229.14346	48.4
231.21071	2.3
241.19534	20.8
259.20584	49.5
261.22122	2.4
293.37613	1.7
301.41452	1.8
315.23141	5.1
333.24210	29.1
413.30505	2.2
487.34146	11.1
505.35767	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81095	1.1
53.03923	1.6
55.05512	13.9
55.54143	1.0
55.88021	1.0
57.03235	0.9
57.03437	9.7
57.07061	3.4
59.04984	4.0
65.03934	3.2
67.05505	100.0
68.05853	1.5
69.07076	10.0
69.33456	12.3
71.04987	4.4
74.61886	1.3
79.05495	22.6
81.03424	1.7
81.07057	30.6
83.04988	2.2
83.08630	8.7
84.28434	1.1
85.06532	4.3
91.05481	35.0
93.07044	32.6
95.04962	6.0
95.08054	1.6
95.08616	20.4
97.06516	1.8
97.10155	4.7
98.21449	2.5
99.08076	2.3
105.07032	34.0
105.77273	1.1
107.04959	1.3
107.08585	19.4
109.06559	1.3
109.10159	65.8
110.06120	1.3
110.10515	1.9
111.08103	3.0
117.07015	10.3
119.08578	36.2
121.10135	14.1
123.11687	2.5
125.09614	4.4
129.07001	5.5
131.08574	16.3
133.10129	27.9
135.11710	13.7
137.09584	2.4
139.11047	1.3
142.07841	1.4
143.08530	5.1
145.10141	12.6
146.45320	1.1
147.11696	27.1
149.13249	5.0
151.11143	1.0
153.09021	1.4
155.10669	3.5
157.10110	5.8
159.11702	9.7
161.13254	22.8
163.11118	1.2
163.14775	2.5
167.87549	1.1
171.11707	7.6
173.11728	23.5
173.13266	7.5
175.14847	8.2
177.12721	1.1
185.13297	5.8
187.14850	2.4
189.11217	1.8
199.14809	3.1
203.14331	1.2
213.16435	3.4
227.12752	6.9
229.14355	59.8
230.14650	1.7
231.21033	5.2
241.17226	1.7
241.19525	23.9
259.20575	57.0
261.22150	3.3
275.19876	1.2
277.21552	1.8
286.81857	1.1
315.23102	4.0
333.24237	29.3
334.24475	1.2
395.29962	2.2
413.30585	1.9
487.34366	10.7
505.35007	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
53.26233	1.8
55.01875	6.6
55.05512	59.3
57.03430	6.0
57.07077	29.0
59.04993	3.7
65.03945	4.4
67.05505	100.0
69.03414	5.4
69.07068	24.3
71.04975	4.0
71.08628	22.0
71.60471	3.4
75.51421	2.1
79.05495	50.3
81.03420	56.6
81.07059	75.2
82.07397	2.1
83.04980	6.2
83.08141	3.5
83.08618	44.8
85.06537	2.9
85.10185	11.3
91.05475	39.6
93.07047	46.9
95.04977	21.8
95.08608	48.7
95.09171	3.5
97.02872	2.3
97.06515	4.0
97.10168	50.7
99.07079	1.7
105.07028	32.2
107.04944	3.5
107.08596	39.8
109.06528	2.5
109.10158	45.6
111.08086	8.9
117.07029	11.8
119.08584	30.2
121.06517	2.6
121.10139	23.6
123.11720	8.4
125.09634	44.6
129.06996	9.9
131.08543	18.0
133.10129	23.8
135.08060	4.9
135.11681	19.9
137.09674	2.8
137.13303	3.2
143.08553	5.3
143.10654	2.3
145.02855	4.2
145.10118	14.0
147.11688	18.2
149.09637	2.4
149.13242	11.3
157.10158	8.8
159.11668	9.8
161.13257	12.1
163.14880	3.9
171.10220	2.2
171.11699	3.0
173.11772	6.2
173.13280	7.8
175.11220	8.3
175.14845	5.2
177.05507	5.9
181.90509	1.8
187.14816	3.2
189.11215	34.0
189.12730	2.9
193.12218	22.8
215.67731	2.0
221.69255	1.9
227.12769	48.6
227.14948	3.9
229.14314	18.1
239.23682	4.7
241.19487	9.1
243.21025	5.8
245.13924	3.3
249.14908	5.9
259.20615	21.9
261.22147	23.7
317.24832	4.7
333.24200	11.0
413.30566	2.6
487.34070	11.2
505.35446	47.7
505.38254	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	505.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.3
55.05500	29.6
57.03440	11.0
57.07071	11.5
61.22897	5.9
67.05508	43.5
69.03423	19.9
69.07069	87.0
69.26833	10.5
69.27238	64.3
70.06599	14.5
70.07388	7.5
70.42590	5.9
71.04992	14.3
75.52986	5.7
79.05484	27.2
81.03422	15.2
81.06638	9.2
81.07066	100.0
82.07359	7.5
83.04971	16.9
83.08612	19.9
84.97146	6.4
85.02887	27.0
85.06544	24.4
86.09707	9.7
89.06071	8.7
91.05471	39.3
93.07047	53.5
95.04958	27.3
95.08605	78.6
96.08978	6.1
97.02888	19.8
97.06512	17.0
97.10174	7.5
99.04484	8.5
99.08086	17.0
105.07038	30.8
107.04944	11.3
107.08591	38.3
109.02851	9.6
109.06525	40.5
109.10146	54.6
111.11718	22.0
115.05519	9.4
116.01603	6.2
117.06978	11.7
119.04959	18.6
119.08593	29.6
120.08115	7.5
121.06503	15.6
121.10165	37.0
122.06075	8.1
123.04388	7.7
123.08083	12.2
123.11708	33.1
125.09623	12.5
127.03899	9.8
131.04944	12.8
131.08578	15.4
133.06467	7.0
133.10114	26.0
134.10492	10.5
135.08052	17.6
135.11681	24.9
137.05977	51.9
137.09596	12.0
137.13269	13.8
139.11171	18.1
143.05644	19.3
143.08542	7.6
145.02832	15.3
145.10069	11.9
147.04375	36.1
147.08110	7.9
147.11690	23.4
149.05977	8.2
149.09642	10.4
149.13240	26.2
151.03960	12.8
151.07472	13.4
153.05472	7.5
159.11597	14.2
160.09645	6.1
161.05994	15.3
161.13269	9.9
162.02126	8.8
163.04004	12.1
163.07475	10.7
163.11073	7.1
165.05461	7.5
167.07095	14.9
173.06102	6.8
173.13229	10.2
174.13582	9.0
175.03885	13.0
175.07555	9.2
177.05530	45.6
177.06812	7.1
177.09065	16.4
179.14334	12.9
179.66420	5.8
181.04883	8.5
191.06996	8.0
191.14340	21.5
192.14638	14.2
197.15421	7.7
205.49059	6.6
207.06548	9.9
209.15410	12.2
210.15646	8.1
230.40193	5.8
239.06961	6.6
241.44994	7.1
247.04164	10.2
281.15121	12.8
286.04718	8.9
289.25351	9.5
295.09671	8.7
295.26248	17.0
301.07034	15.3
307.26169	39.2
315.12341	8.0
325.10913	8.0
325.27335	14.3
343.11667	8.6
415.27243	6.8
438.33841	6.4
505.17896	20.1
505.25342	28.7
506.19293	22.7
507.65381	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	505.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.4
57.03423	4.1
57.07045	4.9
67.05508	21.6
68.51460	3.7
69.03426	9.6
69.07065	50.0
69.58681	22.9
69.59092	9.0
70.06593	7.1
71.04967	5.3
72.55721	3.5
79.05489	23.8
79.98045	3.5
81.03399	3.7
81.07056	100.0
83.04962	5.0
83.08615	10.3
85.02908	20.8
85.06555	19.1
89.78676	3.6
89.90803	3.9
91.05473	17.0
93.07056	38.9
95.04955	10.9
95.08042	6.0
95.08604	64.8
97.02848	7.0
97.06523	4.2
97.10168	6.5
99.08084	15.1
105.07036	23.8
107.05000	4.2
107.08604	34.6
109.10151	38.1
111.08076	7.0
111.11691	14.9
119.04790	5.3
119.08577	21.6
121.06487	4.2
121.10137	27.2
123.11689	23.4
127.03906	5.3
131.08536	4.2
133.10121	15.9
135.11696	30.2
137.05980	17.9
137.13234	5.0
139.11174	14.0
139.29230	3.6
143.05666	5.6
145.10120	10.3
147.11696	12.7
149.13231	15.7
153.12720	13.2
159.11679	11.6
161.13254	8.2
163.14830	4.5
165.12740	3.7
173.13174	5.5
175.14796	5.8
177.05428	7.8
177.16370	15.4
181.05014	3.8
183.06631	3.8
187.14761	4.1
189.16437	5.3
195.17473	9.0
213.18535	16.3
271.24130	8.9
277.25342	5.3
279.05139	3.8
289.25278	20.0
295.26379	14.3
307.26205	29.4
325.27362	22.5
339.08807	5.3
424.22568	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	505.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01868	0.8
55.05510	1.8
56.05036	29.5
56.96560	0.5
57.03436	0.8
57.07068	0.7
58.06588	0.5
61.02918	1.8
65.03928	0.4
67.05505	4.9
68.05029	0.8
69.03430	4.9
69.07072	4.2
69.95538	2.2
70.06586	1.6
71.04990	1.3
72.04512	1.5
72.08159	1.4
73.02920	0.6
74.02428	1.2
74.06080	23.3
79.05482	2.9
80.05016	0.8
80.13128	0.4
81.03414	2.4
81.07059	8.5
82.06572	1.0
83.04981	2.8
83.08601	1.2
84.04494	0.8
84.08134	3.2
85.02905	8.0
85.06535	0.6
86.09699	2.3
87.04472	0.8
91.05474	3.1
93.07046	6.5
94.06564	0.8
95.04955	1.3
95.08607	16.9
96.04484	2.8
96.08942	0.6
97.02905	3.4
97.06536	1.5
97.10176	0.6
98.06041	1.7
99.04455	0.9
99.08079	0.5
102.05541	4.3
103.03891	0.5
105.07034	6.9
107.04940	0.9
107.08595	8.3
108.08096	1.7
109.02883	1.9
109.06533	2.5
109.10154	4.8
110.09708	0.4
111.04457	0.5
111.08084	1.7
111.77186	0.4
114.05521	0.5
116.07120	0.6
118.04984	0.6
119.04957	0.5
119.08572	6.1
120.06577	21.2
121.06490	0.7
121.10142	7.4
122.06032	1.0
122.09664	2.4
123.08062	4.8
123.11736	0.5
124.07595	0.9
124.11233	0.5
125.09647	1.1
126.09157	0.5
127.03916	2.0
129.10173	0.5
131.08537	0.6
132.08076	0.7
133.06578	0.5
133.10138	2.5
135.07944	0.7
135.11691	8.4
136.07529	0.8
137.09621	3.8
137.13260	2.9
140.14384	0.7
143.05629	3.0
145.02834	0.7
145.04993	0.7
145.10158	0.6
147.04405	1.2
147.11676	1.8
149.09575	1.2
149.13264	0.9
150.09111	0.9
151.11177	0.8
152.10703	1.7
158.57677	0.5
161.13260	5.3
163.14832	1.3
164.07094	0.6
167.07069	0.5
170.12125	0.5
173.13261	0.7
175.03830	0.5
177.05467	1.1
179.14349	3.6
182.08076	0.6
183.14995	0.7
184.09618	0.5
188.14369	0.8
189.12758	1.0
191.14313	1.9
191.22469	0.5
206.15410	6.0
207.13904	0.6
207.16112	0.8
209.15363	2.8
211.14441	0.9
224.16478	8.8
225.17264	0.8
228.08681	2.4
242.17525	1.7
295.06058	0.6
295.16791	0.5
308.26724	0.5
312.20258	0.4
325.21179	4.6
343.22278	100.0
344.22540	2.1
385.23315	1.9
421.23523	1.1
451.24362	0.8
469.25165	1.0
487.26947	1.0
505.21448	4.3
505.27740	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	505.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01856	0.9
55.05524	2.8
56.05038	23.3
57.03426	1.9
57.07067	0.6
59.04998	0.6
61.02924	1.7
67.05508	5.8
69.03430	5.2
69.07075	3.7
70.06573	2.0
70.38337	1.8
71.04984	1.9
72.04511	1.0
74.02428	1.2
74.06081	24.1
79.05495	3.8
80.04991	0.8
81.03420	4.2
81.07058	8.5
83.04971	2.6
83.08607	1.2
84.04492	1.6
84.08136	1.3
85.02909	12.0
85.06528	1.8
86.06116	0.7
87.04437	0.6
91.05492	3.3
93.07046	6.1
94.07336	0.6
95.04965	2.0
95.07992	1.0
95.08607	21.9
96.04507	1.0
96.77914	0.6
97.02904	4.3
97.06499	1.7
97.10182	0.6
98.06063	0.7
99.04454	0.7
102.05557	4.8
105.07037	7.2
107.04985	1.0
107.08610	9.4
108.08118	1.4
109.02893	1.3
109.06548	3.9
109.10165	6.5
111.08080	2.1
116.07095	0.7
117.03398	0.8
118.05008	1.0
119.04886	0.7
119.08588	7.6
120.06577	24.3
120.07932	1.0
121.06541	1.1
121.10150	8.2
122.05970	0.7
122.09657	2.0
123.08094	5.6
123.11683	1.0
124.07554	0.7
125.09647	0.7
126.09147	0.7
127.03889	2.5
131.08595	0.8
133.10118	2.5
135.07877	2.0
135.11690	8.0
136.07559	0.6
137.06055	0.9
137.09604	4.1
137.13258	3.4
139.11182	1.1
143.05653	2.0
145.02798	1.9
145.04980	0.8
145.10036	0.6
147.04385	0.7
147.08046	0.8
147.11679	2.7
148.11241	1.1
149.09619	2.1
149.13297	1.9
150.09116	1.7
151.11172	1.4
152.10706	1.3
153.09093	0.7
156.03616	0.6
161.06067	0.8
161.13235	5.6
163.14841	1.5
173.13272	1.2
175.03798	0.7
177.05463	4.1
178.16101	0.8
179.14285	4.3
188.14305	0.8
189.12737	2.3
191.14317	4.1
200.09181	0.6
206.15421	5.7
207.06622	1.3
207.16168	0.8
209.15376	10.7
224.16479	10.9
225.17215	2.3
228.08675	1.8
276.93018	0.6
325.21231	6.0
343.22284	100.0
344.22678	1.9
385.23441	2.5
396.09329	0.6
421.23145	0.7
451.24350	1.5
461.19748	2.2
469.25415	0.8
487.21295	1.3
505.22012	13.3
505.27832	2.7
506.22861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17880	0.4
53.03929	1.2
55.01872	0.9
55.05512	3.0
56.05036	26.4
56.96576	0.5
57.03422	2.4
57.07071	1.2
61.02912	1.4
61.72022	0.5
64.24168	0.5
65.03947	0.6
67.05502	6.9
67.18430	0.5
67.70410	0.5
68.05036	0.9
69.03427	5.0
69.07059	5.3
69.30358	5.4
70.06583	3.0
71.04977	2.3
72.04510	2.1
72.08152	0.8
73.02891	0.9
74.02438	1.9
74.06077	28.6
79.05489	3.5
80.05011	1.2
81.03411	3.1
81.07053	9.7
82.06570	1.2
83.04984	3.5
83.08603	0.9
84.04510	1.3
84.08137	0.9
84.09804	0.5
85.02905	13.6
85.06535	1.1
86.06023	0.5
86.09708	0.9
87.04465	0.9
88.03989	0.6
88.40381	0.5
91.03967	0.7
91.05472	3.9
93.07043	8.2
94.06563	1.0
95.04960	2.0
95.08604	19.6
96.04485	1.8
97.02892	5.1
97.06505	1.1
97.10203	0.9
98.06055	1.8
99.04459	0.9
100.03971	0.7
101.02378	0.8
102.05544	5.9
105.07030	8.9
107.04950	0.8
107.08589	9.6
108.08126	1.9
109.02876	1.8
109.06512	3.7
109.10156	7.1
110.06049	0.7
111.08077	2.4
115.03820	0.6
116.07088	1.7
117.06908	0.5
118.05013	1.2
118.06508	0.5
119.04906	1.0
119.08579	10.2
120.06583	25.9
120.08002	4.9
121.06484	0.7
121.10140	10.0
122.02428	1.0
122.06004	1.3
122.09688	3.0
122.46404	0.5
123.08069	7.1
123.10468	0.6
123.11643	0.8
124.07610	0.8
124.11227	0.6
125.09612	1.5
126.09158	0.9
127.03907	2.0
131.07394	0.4
131.08571	1.8
133.06442	0.6
133.10130	3.6
134.09682	0.7
135.07808	1.8
135.11687	9.7
136.07596	0.7
137.02354	0.7
137.05975	1.4
137.09593	5.0
137.13255	3.3
138.05486	3.7
139.11180	0.9
140.03426	0.5
143.05640	6.5
145.02921	0.6
145.04948	1.2
145.10103	0.8
146.05983	0.6
146.09625	0.6
147.04401	1.4
147.08020	1.0
147.11676	2.1
148.11188	1.4
149.09579	1.3
149.13260	1.3
150.09145	2.1
151.11145	1.1
152.07024	0.8
152.10735	1.0
153.09120	0.6
156.09282	0.6
161.13263	7.5
163.11212	0.6
163.14830	1.2
164.07056	0.9
167.07130	1.0
173.13271	1.5
177.05547	1.2
178.15842	0.7
179.14337	3.4
182.08160	0.6
188.14372	0.9
189.12723	0.9
191.14317	2.8
193.04915	1.5
200.09227	0.8
206.04395	0.8
206.15401	7.7
207.04778	0.6
207.06511	0.6
207.13829	0.7
207.15990	0.8
209.15399	6.0
223.06100	1.7
224.16457	11.1
225.17227	2.0
228.08705	2.6
242.17476	0.9
296.74072	0.6
308.88220	0.6
325.11035	0.5
325.21231	6.7
330.78333	0.6
330.82156	0.5
343.22272	100.0
344.22656	2.5
385.23193	2.4
398.77451	0.5
421.23074	0.7
451.24551	1.3
469.25195	1.1
487.26794	0.9
505.21341	5.1
505.27670	5.3
506.23694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01836	2.4
55.05500	7.3
59.05005	2.5
67.05496	7.9
69.03416	9.0
69.07062	8.2
69.48462	13.1
69.48891	6.7
70.06577	4.6
71.04990	11.7
79.05470	5.4
81.03416	4.5
81.07052	16.7
83.04961	5.8
83.08617	5.7
84.08108	2.6
85.02888	9.4
85.06535	5.6
86.09689	3.0
87.82874	2.4
89.06030	48.0
91.05454	11.5
93.07047	18.7
95.04967	4.8
95.08595	18.0
97.02888	10.0
97.06519	4.4
98.20785	4.9
99.04459	2.5
99.08091	15.3
105.07014	10.1
107.04947	6.3
107.08589	34.9
109.02863	4.6
109.06499	10.2
109.10155	16.7
111.04434	2.9
111.08083	4.9
117.07034	2.8
119.08577	8.2
119.76460	2.1
121.06502	21.1
121.10142	29.8
123.04412	2.6
123.08057	16.8
123.11699	3.6
125.05998	4.9
125.09589	6.1
127.03909	10.5
131.08560	11.9
133.10127	16.3
135.06532	6.1
135.08031	15.0
135.11647	5.1
137.05939	6.4
137.09659	4.3
139.07527	3.6
139.11124	4.5
143.05643	4.4
145.04901	4.0
145.10118	6.3
147.04425	4.0
147.11682	4.9
149.06021	3.9
149.09618	56.4
149.13232	11.3
151.11191	15.1
153.09119	5.6
158.10724	3.1
161.13219	2.7
163.11179	4.8
163.14789	21.8
167.06996	7.0
173.13252	19.1
177.05434	3.3
191.14288	65.0
193.04921	2.8
198.25237	2.3
199.09520	3.5
209.15356	100.0
209.17368	5.0
214.07251	2.2
261.09659	2.4
427.16754	2.5
443.19119	2.9
505.18625	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	503.3731
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
51.02396	0.8
53.03944	3.2
55.01878	1.4
55.05268	1.2
55.05515	18.8
56.96557	0.7
57.03437	3.3
57.07071	3.2
59.04994	1.5
61.02912	0.6
64.22691	0.6
65.03951	3.5
67.05505	68.6
69.03412	1.5
69.07069	14.9
69.89407	0.6
71.05000	8.5
71.08629	0.9
73.06558	1.0
77.03950	0.7
79.05495	40.5
80.72263	0.7
81.03426	2.4
81.07059	100.0
82.07411	1.6
83.04976	2.0
83.08627	7.7
85.02909	1.0
85.06547	10.7
85.10127	0.9
85.51479	0.6
91.05481	26.1
93.07043	37.0
95.04987	6.4
95.08611	26.4
97.06528	2.8
97.10180	3.0
105.07034	21.0
107.08597	21.0
109.06546	2.2
109.09454	1.5
109.10156	14.2
111.08128	1.2
115.05455	1.0
117.07014	6.9
119.08585	16.9
121.10144	16.4
123.08122	1.0
123.11715	13.0
127.07606	0.8
129.07024	1.7
131.08580	10.1
133.10135	20.0
133.11082	1.4
135.11687	11.9
137.09663	1.0
137.13306	0.9
139.11241	1.2
141.06926	0.7
143.08591	2.5
145.10133	10.4
147.11681	7.7
149.13257	3.6
151.11179	5.0
153.12791	2.0
155.08630	0.8
155.62604	0.8
157.10161	2.4
159.11661	6.5
161.13235	4.4
163.14851	2.0
169.10162	1.7
169.12288	2.5
171.11751	2.8
173.13242	4.9
175.06609	0.7
175.14867	2.0
183.11736	1.1
185.13278	1.5
187.13338	9.1
187.14902	2.9
189.16438	0.7
193.12245	1.7
197.13298	1.1
199.14903	1.6
201.16399	0.6
211.14868	1.1
227.16484	2.5
241.19675	0.8
243.21115	1.4
248.95044	0.8
257.19107	1.2
259.20645	1.7
261.22247	2.6
275.20154	2.1
289.21439	0.7
299.23807	0.7
317.24783	0.8
347.15582	0.8
391.28546	0.8
393.31570	4.1
411.32858	6.1
429.34042	2.4
485.36749	5.8
487.83310	0.7
498.62469	0.8
503.37442	93.5
504.37894	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83974	0.8
53.03939	3.0
54.16247	0.8
55.01871	1.0
55.05515	19.3
56.96569	0.8
57.02864	1.0
57.03439	4.2
57.07065	3.4
59.05016	1.4
61.02934	1.1
61.84550	0.7
65.03942	4.1
67.05508	71.1
68.05829	1.0
69.03427	1.1
69.07071	15.5
69.93135	4.9
71.04708	0.8
71.05000	7.9
71.08651	1.7
77.03905	1.2
79.05492	38.0
81.03418	4.4
81.07058	100.0
82.07418	1.2
83.05007	2.6
83.08614	10.6
85.06551	12.7
91.05483	26.7
93.07047	34.5
95.04974	5.6
95.08609	27.9
97.06545	3.7
97.10163	4.9
99.08099	1.5
99.13561	0.9
103.42873	0.9
105.07040	19.6
107.08596	22.2
109.06530	1.4
109.10155	12.1
111.08086	1.6
111.65055	0.9
117.07028	5.6
119.08583	16.5
121.10147	18.5
123.08117	1.5
123.11721	12.4
125.09671	1.1
129.07033	1.6
130.78038	0.9
131.08569	9.8
133.10129	17.3
135.11697	11.7
137.13379	1.1
139.11244	1.1
143.08575	1.4
145.10133	9.1
147.11697	7.8
149.09685	1.0
149.13286	5.5
151.11209	5.6
153.12740	1.2
157.10190	3.0
159.11682	7.4
161.13283	5.5
163.14836	2.3
169.10193	1.0
169.12274	2.3
171.11781	2.4
171.13878	1.0
173.13275	4.7
175.11345	0.9
175.14893	2.0
185.13342	2.4
187.13362	9.9
187.14899	3.0
189.16512	0.9
191.14403	0.8
192.40013	0.9
193.12302	2.3
199.14851	0.9
201.16370	1.2
209.62611	0.8
221.30168	1.0
227.16588	1.4
231.17371	0.9
241.19664	0.8
242.37323	0.9
259.20551	1.6
261.22052	4.8
287.23920	1.0
317.24628	1.3
325.25113	1.1
347.15390	2.3
365.16144	1.2
386.30045	1.0
393.31888	2.6
411.32599	6.1
429.33951	2.8
440.95526	1.0
485.36163	5.1
503.37460	87.0
504.37558	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	503.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01879	0.9
55.05511	19.8
55.69414	0.6
57.03434	2.9
57.07082	3.1
59.04986	1.1
65.03929	3.4
67.05505	71.2
69.03436	1.2
69.07070	13.1
71.04991	6.5
71.08621	0.7
79.05492	40.2
81.03423	2.1
81.07056	100.0
83.04990	1.7
83.08621	7.0
85.06548	10.5
85.59973	0.7
89.06031	0.7
91.04910	1.1
91.05476	25.4
93.07044	37.3
95.04984	5.9
95.08605	24.3
97.06534	2.3
97.10168	3.7
105.07037	17.5
107.04993	0.9
107.08591	17.0
109.06520	1.4
109.10162	14.8
111.08055	1.4
117.07034	5.4
119.08578	12.4
119.09447	0.7
121.10150	16.1
123.08096	1.1
123.11707	13.1
125.09632	0.8
127.07594	0.8
129.07037	2.2
131.08572	10.0
133.10130	18.4
135.08102	0.7
135.11691	8.9
137.09662	0.8
143.08566	1.9
145.10117	7.9
145.11157	0.8
147.11690	7.4
149.09590	1.3
149.13287	2.8
151.11176	5.0
155.08530	0.8
157.10208	2.8
159.11696	5.3
161.13283	3.0
163.14931	0.8
169.10197	1.4
169.12291	2.2
171.11691	1.6
173.13254	4.2
175.11220	0.7
175.14894	1.5
183.11716	1.0
185.13304	1.8
187.13335	9.1
187.14897	2.0
211.14847	0.7
227.16423	1.1
229.38969	0.7
243.21315	0.7
257.18842	0.7
259.20828	1.0
261.22098	4.0
273.22028	0.7
275.20108	1.6
295.17282	1.0
296.17645	1.2
331.26126	0.7
393.31619	2.2
411.32617	3.5
429.33621	1.4
485.36450	3.1
503.37424	76.2
504.37686	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	503.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32372	0.7
52.13129	0.7
53.03937	2.3
53.58616	0.8
54.00635	0.9
55.01876	6.0
55.05511	19.0
56.96538	0.8
57.03441	4.6
57.07071	2.1
59.04992	3.3
65.03938	3.2
67.05505	100.0
68.05856	0.9
69.03431	2.1
69.07070	15.7
71.04992	3.8
71.60177	1.2
77.03922	1.0
79.05493	29.2
81.03412	2.5
81.07057	37.6
83.04991	3.9
83.08615	10.7
85.02908	1.6
85.06549	3.8
91.05479	32.9
93.07046	22.7
95.04977	5.5
95.08607	20.1
97.06512	6.6
97.10152	5.6
99.08109	1.5
103.05494	2.1
105.06328	1.0
105.07031	27.6
107.04964	4.4
107.08600	20.5
109.06514	4.5
109.10156	63.5
111.08087	4.1
113.09690	1.0
115.05466	1.2
117.06998	10.6
119.08582	24.3
121.06519	2.1
121.10154	7.0
123.08084	3.7
123.11765	2.3
125.09634	5.1
129.07013	6.2
130.07834	1.5
131.08568	22.1
132.41003	1.0
133.10127	23.2
133.11084	1.4
135.08072	3.5
135.11673	3.9
137.09630	3.8
141.07025	2.7
143.08528	6.2
145.10124	24.0
146.90862	0.8
147.08047	1.7
147.11691	10.8
149.09628	7.5
149.13278	1.9
151.11153	0.8
155.08586	2.8
155.10620	2.2
157.10150	6.4
159.11702	11.0
161.09598	1.6
161.13292	3.8
163.11188	5.1
169.10178	4.0
171.11682	6.3
173.09595	1.1
173.10136	0.9
173.11769	12.9
173.13310	6.5
175.11200	1.4
177.05479	1.5
177.12810	2.3
179.14351	3.8
183.11766	3.2
185.13301	2.5
187.11165	1.2
189.11252	2.0
189.12740	1.0
197.13324	2.2
199.14937	1.0
211.13297	1.0
215.14371	1.0
215.17926	1.1
219.13899	0.9
227.12842	1.7
229.14276	7.3
229.19502	2.7
239.17995	3.4
247.16859	1.0
247.20505	1.2
257.18997	16.0
259.20673	3.4
271.14136	0.9
275.20071	31.4
293.21307	2.1
299.06311	1.1
313.21725	1.1
331.22696	3.8
334.17920	0.8
349.23383	1.5
393.27930	2.5
411.29172	1.8
429.30255	1.4
467.31812	1.1
485.32886	7.6
503.33792	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.9
55.01861	7.6
55.05514	22.3
57.03418	8.7
57.07071	5.6
59.04995	5.0
61.02918	9.0
67.05508	28.6
67.05846	3.9
69.03427	30.6
69.07070	100.0
70.06599	4.6
70.28641	10.3
71.04987	7.4
73.02924	3.8
79.05494	22.5
81.03415	14.2
81.06587	4.6
81.07053	64.6
83.04961	3.3
83.08612	9.6
85.02433	3.5
85.02907	38.8
85.06539	15.3
86.09708	4.1
91.05476	35.2
93.06483	4.6
93.07041	61.8
94.04181	2.3
95.04967	18.6
95.08607	51.4
97.02898	16.5
97.06545	14.4
97.10140	4.9
98.97598	2.9
99.04444	6.8
99.08080	7.7
103.05451	5.1
105.07031	52.3
107.04951	3.9
107.08591	34.3
109.02887	9.3
109.06515	9.7
109.10155	33.3
111.04466	3.1
111.08072	6.1
111.11723	26.8
115.05454	2.8
117.03329	2.7
117.07034	6.7
119.04926	8.5
119.08592	32.2
121.06489	4.1
121.09334	4.6
121.10148	65.7
122.03645	4.6
122.06027	2.4
123.04426	3.3
123.08044	7.5
123.11707	32.3
124.07624	3.5
125.09631	6.6
127.03899	13.5
129.07005	4.7
131.08553	15.3
133.10126	74.4
135.08061	4.2
135.11688	16.6
137.05978	46.5
137.09647	5.6
137.13237	7.8
139.11198	26.2
141.06871	2.8
143.05641	14.3
145.02869	5.4
145.04932	6.0
145.10158	16.6
146.53122	2.3
147.04393	6.5
147.08041	4.9
147.11667	16.6
149.05934	5.3
149.09601	5.6
149.13235	16.5
151.11247	7.1
153.05406	3.2
157.10130	7.7
159.11708	16.0
161.05994	8.1
161.09596	2.8
161.13248	5.6
162.06807	3.3
163.03917	7.4
163.07555	5.4
163.11203	6.5
163.14799	4.8
165.12772	4.8
167.07040	6.0
167.08534	3.0
167.10716	4.3
167.14284	2.8
169.07484	2.4
171.11740	4.7
173.13277	7.2
175.03876	7.4
175.07576	12.6
175.11166	8.6
175.14790	7.7
176.07286	2.4
177.05487	9.1
177.16356	4.0
178.05957	2.5
181.08478	3.7
185.13193	2.8
187.07588	5.3
187.14780	3.6
189.16490	3.7
193.12315	2.9
195.10013	4.4
199.07520	5.6
199.11351	2.3
199.14731	3.6
201.16415	2.2
203.08536	2.5
207.06526	9.9
208.06775	2.6
211.16846	5.9
213.16414	2.9
220.08743	3.0
221.80307	2.5
231.08043	3.6
235.07516	4.0
235.16959	2.9
248.08067	2.9
257.11810	2.6
260.04474	2.6
261.08813	3.4
261.22180	3.1
269.22507	5.2
275.23651	8.0
277.08658	2.5
279.09979	3.4
287.23727	11.5
291.10181	6.3
295.12735	2.9
305.24698	15.7
311.09271	4.1
311.12686	5.3
323.05371	2.9
323.09116	6.5
323.12845	7.9
323.25662	13.0
341.06412	4.7
341.10123	5.7
341.26791	12.8
347.08286	2.7
411.16623	3.4
432.13947	2.5
436.01175	3.0
503.11514	53.9
503.24564	27.1
504.11697	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	503.2979
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
53.03959	0.5
55.01844	0.5
55.05510	2.3
57.03435	0.5
58.58797	0.4
65.03915	0.6
67.05506	12.6
69.07070	2.4
70.12182	0.4
71.04976	0.6
71.06351	0.8
72.74506	0.4
79.05139	0.4
79.05501	4.1
81.03381	0.6
81.07052	7.1
83.08591	1.3
85.06538	0.9
91.05473	4.1
93.07049	4.3
95.04955	1.7
95.08599	3.1
97.06503	1.2
97.10139	0.6
105.07027	4.6
107.04923	0.8
107.08585	2.8
109.06527	0.9
109.10162	6.1
111.08062	0.7
117.07001	1.5
119.08581	2.3
121.06483	0.5
121.10121	1.2
123.08051	0.5
129.06966	0.5
131.08578	2.2
133.10141	2.6
135.08104	0.4
135.11635	0.5
137.09676	0.5
145.10139	1.6
147.11661	1.5
149.09601	0.8
149.13263	0.9
157.09964	0.5
159.11714	2.0
163.11162	0.7
173.11815	0.8
173.13188	0.8
179.07257	0.4
179.14293	0.7
226.20560	0.5
235.13048	5.3
238.64439	0.4
239.17963	0.7
257.19000	1.4
259.20663	0.5
269.17419	1.2
275.20084	4.1
291.15622	3.6
293.21167	0.9
306.47430	0.4
485.32220	0.8
503.29645	100.0
504.29739	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	503.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02410	0.8
53.03948	2.2
55.01876	1.4
55.05506	4.4
56.05033	19.5
57.03436	1.8
62.63160	1.1
67.05490	6.1
68.05031	1.2
69.03423	4.5
69.07080	1.9
70.06595	3.9
70.76993	2.5
71.04999	2.7
72.04519	3.6
72.08166	1.3
73.02937	1.6
74.02469	2.2
74.06072	8.7
79.05486	5.9
80.05013	1.8
81.03413	2.5
81.07064	4.1
82.06608	3.2
83.04976	6.5
84.04514	2.5
84.08151	2.2
85.02904	8.7
86.09711	1.9
91.05470	8.3
93.07040	27.2
94.06571	2.2
95.04983	3.6
95.08624	3.9
96.04514	1.5
97.02914	3.1
97.06538	1.6
99.04465	1.1
100.07643	2.3
102.05540	14.1
103.05437	1.9
105.07021	20.0
105.07664	1.4
106.06573	3.0
107.04956	2.2
107.07361	3.0
107.08597	13.4
108.08120	2.6
109.02924	1.5
109.06530	3.1
109.10164	3.2
110.06088	1.2
112.07629	1.4
113.06036	1.9
115.05467	0.9
115.51968	0.8
117.07053	2.3
118.05054	1.5
119.04942	1.6
119.08577	6.1
120.06608	4.0
120.08096	15.4
121.06501	2.7
121.08872	1.4
121.10146	4.1
122.09677	2.4
123.08089	4.9
123.11736	1.3
123.82633	0.9
124.07574	10.6
124.08360	1.0
127.03928	1.3
131.08583	2.6
133.06474	1.4
133.10156	3.7
135.08086	5.0
135.10745	1.2
135.11688	6.6
136.07593	1.2
136.11249	2.0
137.05980	7.8
137.09622	2.7
138.09158	2.8
143.05644	28.4
143.08617	2.0
144.09300	0.9
145.10126	3.0
147.04408	1.8
147.08043	1.8
147.11656	1.5
148.07600	2.2
149.09709	1.7
152.10739	1.4
159.11685	4.1
161.09628	1.1
161.13240	1.0
162.09161	0.9
162.12810	4.0
166.08630	4.2
168.10271	2.7
171.10452	1.0
171.11766	2.3
175.07527	2.3
175.11241	0.9
176.14465	3.2
177.12723	8.0
178.12335	2.6
189.12804	7.1
199.07643	1.1
204.13832	12.1
205.14668	1.7
219.08102	1.2
222.14877	92.1
223.15268	1.6
237.02820	0.9
237.09219	1.5
283.09531	1.1
306.17010	1.6
311.09195	1.5
323.19635	100.0
324.19952	2.7
341.20667	9.4
344.97675	1.0
503.26431	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01856	1.4
55.05490	1.2
56.05032	8.9
56.96566	1.1
57.03424	1.7
58.75542	0.5
59.04989	0.8
61.02908	2.4
65.03925	0.7
67.05487	2.1
69.03081	0.7
69.03425	10.2
69.07050	1.0
70.06574	1.9
70.91016	1.3
70.91357	0.9
71.04996	3.3
73.02898	1.1
73.04778	0.6
74.02433	2.6
74.06077	3.1
77.06440	0.6
79.05478	2.1
79.51371	0.5
79.52822	0.6
80.05006	0.6
81.03416	12.3
81.07040	2.4
82.02930	0.6
83.04973	1.8
84.04504	3.1
84.08155	0.9
84.76730	0.6
85.01126	0.6
85.02905	12.7
86.09692	1.8
87.04436	1.4
87.06709	0.6
89.03909	0.7
91.05461	5.2
92.28395	0.6
93.07030	5.4
94.06548	1.8
95.04964	1.4
95.07375	0.8
95.08615	2.7
96.08107	2.1
96.58701	0.6
97.02883	4.5
97.06519	0.7
98.97549	0.9
99.04459	3.9
101.07117	0.6
102.05538	21.2
105.07030	2.7
107.04925	1.3
107.08572	2.8
108.08092	2.0
109.02863	2.1
109.06517	0.8
110.06049	1.0
110.09676	2.6
111.04413	1.2
117.06974	0.8
119.04963	3.5
119.08577	2.3
120.06569	1.6
120.08131	3.4
121.08872	2.7
121.10125	2.6
122.05970	0.8
122.09690	0.8
123.04369	1.0
124.07580	1.1
127.03909	4.0
129.05527	0.6
129.07007	1.0
130.07787	0.6
131.08554	0.6
132.08115	0.6
133.07582	1.8
133.10124	0.6
134.09636	1.1
135.10515	0.5
135.11641	0.8
136.07555	1.2
137.05956	1.0
138.09158	1.0
139.03841	0.8
143.04575	1.2
143.05637	16.6
144.04050	0.7
144.09329	0.7
145.02817	1.8
145.04933	1.8
145.10114	1.4
146.09625	1.4
147.04396	8.4
147.10408	0.9
148.07520	0.6
148.11188	0.7
149.09631	0.7
150.09174	0.9
150.37770	0.6
151.03912	0.6
159.11650	0.7
160.07591	0.6
161.07082	3.7
161.11990	1.5
162.09106	0.6
162.12784	2.2
163.03880	1.4
163.08649	2.6
164.10783	1.3
167.07018	0.7
167.10652	0.8
175.03941	1.0
176.04486	0.7
176.10754	0.6
176.14284	1.4
177.05429	3.3
178.05791	0.7
178.08607	0.8
179.08244	0.8
181.06570	0.5
186.12788	0.9
189.06596	3.4
191.08139	2.7
204.13873	4.3
207.07666	44.1
221.14236	0.6
222.14879	100.0
223.15118	0.6
249.08473	0.7
299.05737	0.6
305.11053	1.4
305.18469	0.7
323.12357	20.2
323.19580	8.8
324.12546	0.8
341.13431	43.3
342.13666	1.4
363.50803	0.6
455.51678	0.6
503.20853	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51606	0.6
53.03928	1.9
53.09494	0.5
55.01865	1.8
55.05257	0.7
55.05510	3.3
55.05716	0.6
56.05037	17.7
56.05301	0.6
56.96543	0.9
57.03425	1.5
59.04995	0.7
61.02911	1.2
65.03931	1.5
67.05502	5.3
68.05015	1.3
68.48294	0.6
69.03148	0.7
69.03432	7.5
69.07050	2.5
70.06593	4.7
71.04968	1.1
72.04522	4.5
72.08149	1.1
73.02902	1.0
74.02420	2.6
74.05718	0.9
74.06078	10.7
79.05152	0.6
79.05499	7.5
80.05006	1.5
81.03420	3.2
81.07051	4.2
82.06581	3.6
83.04980	5.1
84.04485	2.4
84.08152	1.4
85.02910	8.3
86.06078	1.1
86.09682	2.1
87.04453	1.4
89.03893	0.7
89.06038	0.6
91.04905	0.7
91.05471	13.0
93.07044	24.5
94.06557	2.1
95.04957	6.3
95.06100	0.8
95.08627	4.4
96.04498	1.3
96.08120	1.0
97.02894	4.2
97.06557	0.7
98.06068	1.4
98.97567	0.8
99.00803	0.7
99.04425	1.4
100.03954	1.3
100.07614	1.8
102.05544	12.9
102.65821	0.7
103.05463	1.3
103.75463	0.6
105.04520	1.0
105.07033	19.3
106.06558	3.7
107.04931	2.9
107.07409	3.0
107.08591	13.4
108.08105	2.5
109.02849	2.2
109.06498	2.2
109.10173	3.4
110.06039	1.6
110.07257	0.7
111.04422	2.1
111.08088	0.9
112.07608	1.0
114.05494	0.6
116.07079	0.8
117.06989	1.4
118.04988	1.7
118.06541	0.9
118.86452	0.6
119.04935	6.9
119.08602	5.7
120.06629	5.2
120.08104	16.1
121.02938	0.8
121.06533	3.1
121.08919	1.4
121.10149	4.3
122.06026	2.9
122.09673	3.3
123.04374	0.8
123.05543	3.4
123.08065	4.5
123.11683	1.1
124.07590	11.5
126.09119	0.8
127.03915	4.0
127.58408	0.7
129.05453	2.5
129.06993	1.1
131.08563	2.2
132.08031	0.7
133.06480	2.0
133.10149	4.5
134.06050	1.4
134.09662	2.0
135.04367	0.9
135.06718	0.7
135.07971	4.4
135.10606	1.1
135.11685	8.0
136.06206	1.0
136.07559	1.1
137.05978	5.0
137.09602	2.4
138.09137	2.6
139.03893	1.5
140.07031	0.8
143.05649	13.6
143.08501	0.9
144.04022	0.8
144.08145	0.6
144.09341	1.3
144.57292	0.6
145.02792	2.0
145.05011	0.9
145.06575	0.6
145.07607	12.1
145.08813	0.9
145.10100	2.6
146.07976	5.3
146.09697	1.5
146.10905	0.7
146.99680	0.9
147.04424	12.8
147.08122	2.8
147.11682	1.7
148.04762	1.0
148.07520	2.5
149.05968	1.2
149.08345	0.7
149.09630	1.6
149.13248	0.7
150.09132	7.3
152.10684	1.3
156.09428	0.9
157.04964	1.3
159.11682	5.0
160.11186	1.3
161.05948	1.2
161.11958	1.0
161.13246	1.8
162.09103	1.0
162.12790	3.9
163.03923	2.0
163.11211	1.1
163.13542	0.8
164.07040	0.9
164.10707	1.2
165.05536	0.8
166.08673	4.1
167.07045	0.7
168.10217	3.2
171.11670	2.3
173.09520	0.7
175.03902	3.2
176.10687	1.7
176.14323	2.7
177.05489	2.2
177.12741	7.1
178.08612	7.7
178.12276	1.3
179.03427	0.9
186.12808	0.9
187.07422	0.8
189.05463	1.3
189.12733	6.9
190.12100	0.9
196.09708	3.3
201.05415	0.9
204.13850	12.7
205.14619	1.8
207.06461	4.7
208.06819	0.7
222.14893	97.6
223.15233	1.4
246.53314	0.7
264.10617	0.9
293.04254	0.6
295.09109	0.7
306.17032	1.1
307.08157	0.9
308.09085	0.8
311.13058	0.7
323.19650	100.0
324.19830	0.8
341.10263	0.7
341.20746	10.2
374.14001	0.7
390.68619	0.7
428.59424	0.8
430.85690	0.8
503.19989	2.3
503.26056	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	503.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05501	1.5
55.74535	0.6
56.05025	1.8
56.96564	1.1
61.02929	0.7
65.03943	0.7
66.61844	0.5
67.05517	4.1
69.03422	3.6
69.07063	1.0
69.59126	1.3
69.59538	2.9
70.06583	2.6
71.04984	1.4
72.08141	0.8
74.06069	2.5
79.05488	6.1
81.03403	2.2
81.07048	1.6
81.37231	0.6
83.04967	2.0
84.04495	1.1
84.08152	0.8
85.02905	7.0
85.69634	0.6
86.09716	1.2
87.04468	1.2
91.05480	16.6
93.07047	7.8
95.04971	3.4
95.08588	3.9
97.02899	3.3
97.06528	0.8
99.04466	0.7
100.03989	0.9
102.05534	2.2
103.05454	3.6
105.07031	39.8
107.04955	2.9
107.08586	4.7
108.08109	0.9
109.02868	1.3
109.06506	1.4
109.10184	0.7
111.04475	0.9
115.05458	10.3
116.06249	1.5
116.07018	0.7
117.07023	20.1
117.07862	1.4
119.04948	3.0
119.08579	4.5
120.06582	1.5
120.08079	1.6
121.02850	0.9
121.06486	1.1
121.10139	9.3
122.06014	0.5
123.04434	0.8
123.08061	9.1
124.07609	1.0
125.05990	0.9
127.03958	3.0
128.06213	7.5
129.05479	1.4
129.07013	12.5
130.07784	39.7
131.08582	0.6
133.02931	0.6
135.11697	2.2
136.07587	0.7
137.05983	0.8
139.03880	1.6
139.11218	1.0
142.04797	0.7
143.05638	7.0
143.08551	5.6
145.02884	0.8
145.10124	100.0
146.09622	0.9
146.99609	0.9
147.04417	5.7
147.07997	1.0
147.11685	0.8
148.07574	0.6
149.02353	1.4
149.09560	1.0
150.09171	1.6
157.10118	1.8
162.12769	1.1
163.03825	0.8
163.11163	3.0
167.07109	1.0
167.10687	0.6
171.10454	1.3
175.03938	1.2
177.05515	0.8
178.08669	0.8
186.12782	34.0
195.02899	40.5
196.03178	1.0
204.13826	12.5
207.06506	3.4
222.14844	4.6
237.02769	0.7
240.15828	1.0
278.17422	1.5
305.18671	3.7
306.16995	0.6
323.19656	12.5
341.20715	7.1
357.08038	0.6
503.16302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.4
55.01869	1.6
55.05507	1.3
67.05489	2.8
69.03430	4.8
69.07066	1.8
70.06590	2.3
71.01356	0.9
71.05002	1.3
71.60764	0.9
79.05501	3.1
81.03410	2.9
81.07061	4.8
83.04966	1.0
84.08185	0.8
85.02919	8.8
85.06544	1.9
86.09713	2.3
87.06708	1.5
89.06032	1.1
91.05458	5.5
93.07050	4.1
94.04182	3.1
95.04974	1.4
95.08606	3.2
97.02889	3.3
102.03156	0.8
103.05463	0.8
105.07021	7.5
107.04969	2.4
107.08578	3.4
107.09254	0.9
109.02889	2.6
109.06507	2.7
109.10159	3.4
115.05486	3.3
117.07021	2.0
119.04955	1.4
119.08599	3.5
121.06505	1.6
121.10152	6.3
122.03676	6.1
123.11722	1.6
127.03919	2.7
128.06210	2.6
129.06970	1.5
130.14265	0.9
131.04933	1.6
131.08615	1.5
132.05742	2.4
133.06482	2.4
133.10130	3.2
135.11678	1.7
137.05980	100.0
143.05653	29.1
146.03679	1.1
147.04396	3.1
147.08061	3.8
147.11699	3.0
149.05956	1.6
149.09616	1.6
159.07974	2.0
159.11644	1.3
159.77892	1.0
160.05238	2.0
161.05986	12.1
171.07994	1.2
172.05217	1.2
173.06009	1.0
175.07550	30.5
176.14352	3.5
177.05508	1.1
179.07104	1.8
181.04994	1.3
184.05182	1.4
187.07591	8.3
189.12808	1.0
189.16432	2.2
190.07782	2.0
191.08531	6.6
195.07983	1.3
199.07541	8.9
201.05431	1.2
202.07777	3.2
203.08565	6.1
205.06548	1.0
207.06523	1.4
207.13853	1.0
218.07251	2.4
219.08057	12.3
220.08804	1.8
223.07413	1.1
231.07982	5.7
232.08922	1.3
235.07498	1.1
236.08284	1.9
237.09097	2.4
237.18533	1.4
247.07515	4.3
248.08337	3.5
249.09247	1.1
251.10674	10.7
255.06445	6.5
255.10138	0.8
259.07578	2.7
260.08243	1.1
261.09128	1.2
263.10703	2.8
264.07874	1.8
265.08649	1.9
276.07867	1.3
277.08646	2.0
279.10126	8.4
280.10809	1.0
283.09726	1.0
291.10046	9.0
292.10980	2.8
293.08145	1.2
295.09451	0.9
305.10898	4.5
305.24698	1.4
311.12766	19.9
323.09247	1.1
323.12759	12.6
377.01770	2.8
395.02835	1.2
452.77615	0.9
480.53241	1.1
503.05844	1.8
503.24731	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01866	1.6
55.05494	0.8
56.05035	1.3
65.03923	1.0
67.05511	2.3
69.03423	3.8
69.07065	2.9
70.06591	2.9
71.04992	1.2
71.14948	2.0
72.08155	1.5
74.06060	1.0
79.05489	4.6
81.03388	2.1
81.07041	5.2
83.02443	0.9
85.02902	7.8
85.06548	1.9
86.09699	2.6
87.04452	0.9
89.06025	1.4
91.05467	5.5
93.07036	4.3
94.04211	1.2
95.04985	2.1
95.08607	3.6
97.02900	2.9
97.06488	1.0
99.04434	1.2
103.05469	2.4
104.91195	1.0
105.07027	8.9
107.04941	1.6
107.08588	1.8
109.02888	1.8
109.06526	2.6
109.10158	3.1
110.09679	1.1
111.04417	1.3
111.08073	1.2
115.05461	4.4
117.07008	1.9
118.06599	1.3
119.04961	2.0
119.08576	4.7
120.08112	1.0
121.02880	1.0
121.06522	1.4
121.10139	6.5
122.03629	7.8
123.04465	0.8
123.11709	1.5
127.03917	2.7
127.11202	0.8
128.06248	2.3
129.05461	0.9
129.06989	1.7
129.21838	0.7
131.04924	2.2
131.08600	1.5
132.05696	2.8
133.06490	5.8
133.10109	2.8
135.11664	1.5
137.05972	100.0
143.04564	1.9
143.05649	32.7
145.04941	1.0
145.06514	1.9
145.10065	1.0
145.34224	0.8
146.03664	1.1
147.04398	3.0
147.08075	3.2
147.11682	2.4
149.05981	2.7
149.09756	1.2
159.08058	2.4
160.05240	1.9
161.05966	14.6
161.13252	1.0
163.07588	1.0
167.07089	0.9
171.08090	1.4
175.07538	32.9
176.14397	5.0
177.05424	1.0
179.07054	1.7
181.04881	1.1
184.05212	1.6
187.07520	9.8
189.09143	1.1
189.16434	2.0
190.07799	2.8
191.08575	6.0
195.08076	1.4
199.07545	8.9
202.07768	3.6
203.08575	5.7
207.06454	1.5
208.08835	1.2
209.09555	1.4
218.07286	1.5
219.08044	10.8
220.08864	1.8
223.07558	1.3
225.09091	1.4
231.08067	5.3
232.08775	1.2
236.08313	1.4
237.09233	1.6
240.10164	1.0
246.06668	1.1
247.07553	4.1
248.08340	4.3
251.10701	10.4
255.06543	3.5
259.07526	2.8
260.08322	1.5
261.09262	1.8
263.10706	2.6
265.08472	1.9
276.07907	1.7
277.08688	2.3
279.10178	9.0
283.09625	1.2
291.10120	7.5
292.10828	2.1
295.13333	2.0
305.11053	5.0
305.24448	1.1
311.09241	2.1
311.12726	23.3
323.09274	0.9
323.12732	15.9
323.25659	1.0
377.01956	4.0
395.02631	2.2
503.05560	3.3
503.18881	1.5
503.25006	5.0
516.35541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96085	0.4
53.03939	1.4
55.01869	1.3
57.03426	1.2
61.02925	1.8
64.91593	0.4
66.04740	0.7
67.05495	0.6
69.03084	0.5
69.03436	8.0
69.07064	0.6
69.37975	1.5
69.38400	2.1
70.06598	1.9
71.04995	0.6
73.02914	0.9
74.06066	0.3
79.05495	1.5
80.01717	0.4
81.03423	3.4
81.07061	2.0
83.04969	0.8
85.02911	15.8
86.09710	0.9
87.04457	0.9
91.03956	0.8
91.05482	4.2
93.07048	0.9
94.04195	3.3
95.04956	1.3
95.08596	0.5
97.02904	5.5
98.21452	0.7
99.04446	1.1
103.05467	2.6
105.00577	0.4
105.07026	4.1
107.04945	1.7
107.08583	1.5
108.53057	0.4
109.02859	2.3
109.06519	2.6
109.10173	0.6
115.05453	3.4
117.07026	1.2
118.04084	0.5
119.04992	0.7
119.08579	1.9
121.06496	1.0
121.10149	0.7
122.03655	6.7
123.04426	0.4
127.03928	3.5
128.06213	2.1
129.06992	2.0
131.04939	3.9
132.05750	2.1
133.06502	2.4
133.10147	1.2
137.05981	100.0
138.06317	0.9
141.07007	1.6
143.05782	0.7
145.05034	1.8
145.06465	1.2
146.03627	1.1
146.07253	0.4
147.04402	1.2
147.08049	2.7
149.06006	2.2
151.07509	0.5
151.11224	0.5
155.04941	0.7
156.05692	0.7
157.06497	0.7
159.08061	1.7
160.05176	1.2
161.04628	0.6
161.05992	11.7
163.07545	5.8
165.07039	0.5
167.07039	1.0
168.05566	0.5
169.06531	0.6
171.08060	1.2
172.05284	0.6
173.06007	0.5
175.07555	34.3
177.05501	0.7
179.07095	0.5
184.05220	1.4
185.05942	0.5
187.07547	6.3
189.07077	0.5
189.09126	0.8
190.07832	1.4
191.08582	3.4
192.09375	0.7
193.09991	0.5
197.11772	4.4
199.07538	14.7
201.05478	0.6
201.09096	0.9
202.07767	4.6
203.08591	9.1
204.09268	0.6
205.06499	0.9
205.10242	0.6
213.07074	0.5
213.08998	0.4
217.08484	0.6
218.07224	1.3
219.01602	0.4
219.08061	7.2
220.08911	2.6
221.09604	0.8
230.07156	0.5
231.08057	10.6
232.08847	1.6
233.06010	0.5
235.07629	0.6
235.11162	0.6
236.08330	1.2
237.09090	1.0
243.07954	0.5
247.07539	3.9
248.08376	4.2
249.09096	1.1
251.10696	7.3
252.11270	0.5
253.08630	0.6
258.06802	0.9
259.07547	6.5
259.10077	0.3
260.08356	2.5
261.09103	1.2
263.07483	0.7
263.10632	5.4
264.07910	0.6
264.11115	0.6
265.08643	1.3
273.09082	0.5
275.07004	1.3
275.10391	0.4
276.07773	2.7
277.08627	3.2
278.09171	0.5
279.10156	5.8
280.10901	1.2
286.17682	0.6
290.09497	0.4
291.10162	12.7
292.10934	5.2
293.08191	2.0
293.11273	0.6
295.13269	2.2
296.10446	0.8
299.24911	0.4
307.09207	0.4
308.10638	1.8
311.12781	18.4
323.12796	22.4
325.14407	1.5
341.13892	0.5
359.12503	0.4
467.19073	0.5
503.18103	1.4
503.31879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.5
55.05490	1.3
55.91680	1.0
57.03421	2.3
61.02910	2.9
65.03924	1.4
69.03143	0.8
69.03429	9.6
69.63896	2.0
69.64297	5.7
73.02898	1.9
79.05473	2.5
81.03403	3.2
81.07044	3.0
83.04961	1.0
85.02908	15.2
91.05486	6.7
93.07039	2.4
94.04189	3.0
95.04968	1.4
95.08598	1.3
97.02887	6.3
98.20756	2.1
98.97594	1.7
99.04401	1.0
103.05447	3.0
105.07037	5.1
107.04945	1.2
107.08596	1.5
109.02878	2.5
109.06490	2.9
115.05467	2.0
117.07021	1.5
119.08559	3.4
121.06493	1.0
121.10145	1.8
122.03648	7.2
123.11716	1.2
127.03898	4.4
128.06221	2.3
129.06943	1.5
130.33992	1.2
131.04906	3.8
132.05711	2.5
133.06485	3.1
133.10109	2.1
134.13608	1.0
137.05977	100.0
141.07001	1.6
143.05693	1.1
145.04939	1.1
147.04456	1.8
147.08017	3.6
148.95100	1.0
149.05949	1.1
151.07585	1.0
151.11182	1.3
156.05699	1.3
159.08049	1.5
160.05170	1.6
161.01254	1.1
161.05966	11.3
163.07549	5.9
167.07065	2.6
169.06400	1.0
171.08043	1.4
175.07553	30.8
177.05440	1.6
184.05249	2.5
187.07550	5.4
191.08533	3.4
199.07550	12.4
202.07768	4.5
203.08551	8.7
215.08620	1.0
218.07207	1.2
219.01762	2.2
219.08058	5.8
220.08842	2.3
231.08066	10.9
232.08775	1.6
235.07428	1.2
236.08331	1.4
247.07491	3.0
248.08304	3.5
249.09361	1.4
251.10617	7.3
255.06502	3.0
259.07526	5.7
261.09082	2.4
263.10684	3.8
264.07770	1.3
265.08569	1.1
267.06784	1.2
276.07724	2.7
277.08569	3.6
279.10193	4.2
280.11111	1.4
291.07025	1.8
291.10144	14.9
292.10977	4.7
293.08032	1.3
295.13284	3.0
308.10437	1.5
311.12753	15.2
323.09250	1.8
323.12762	21.7
325.14310	1.3
351.08450	1.0
387.62000	1.3
503.24603	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	503.191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71713	1.0
53.03938	1.8
57.03431	2.4
58.06577	1.1
61.02919	2.0
65.42068	0.9
67.05497	1.8
69.03429	10.1
70.06583	3.1
70.15921	4.5
71.04987	1.4
72.41739	0.9
73.02920	1.6
79.05494	2.8
81.03409	4.1
81.07045	4.0
85.02906	17.6
86.09710	1.1
89.03930	1.0
91.05472	7.8
93.96655	1.0
94.04175	3.3
95.04982	2.7
95.08596	1.7
97.02896	7.8
98.20885	1.5
99.04446	1.6
103.05457	4.5
105.07019	6.6
107.04966	1.8
107.08630	2.5
109.02872	1.8
109.06529	3.5
109.10153	1.5
115.05450	3.9
117.06974	2.0
119.04950	2.0
119.08577	4.5
121.06519	1.4
121.10169	2.9
122.03651	5.9
123.11675	1.6
127.03938	4.8
128.06227	1.3
129.06990	3.5
131.04944	6.2
131.08539	1.1
132.05717	3.2
133.02844	1.5
133.06479	2.8
133.10136	2.8
137.05975	100.0
138.06284	1.8
141.06996	1.8
143.05681	1.7
145.05006	2.0
145.06479	2.5
146.03586	1.3
147.04416	3.0
147.08041	3.6
149.06015	1.5
151.03918	2.3
151.07585	1.4
157.06560	1.2
159.08058	2.8
159.11697	1.0
160.05229	2.7
161.05977	13.9
162.06659	1.1
163.03928	1.3
163.07529	9.1
167.07040	4.4
172.05228	1.0
175.03943	1.3
175.07547	35.4
177.05429	2.7
184.05205	1.3
187.07550	5.8
189.09152	1.2
189.81711	1.0
190.07790	2.3
191.07034	1.8
191.08568	6.4
199.07533	12.0
201.05435	1.5
201.09161	1.2
202.07739	6.6
203.08563	11.2
205.08656	1.5
216.33095	1.1
218.07379	1.2
219.08084	9.8
220.08801	4.0
230.07431	1.1
231.08041	16.7
232.08813	2.5
236.08380	1.3
247.07558	7.1
248.08360	7.8
249.09126	1.9
251.10687	10.5
254.93529	1.0
258.06683	1.4
259.07565	10.3
260.08368	4.6
261.09097	1.3
263.10611	8.7
265.08606	2.3
273.09265	1.2
275.06982	1.6
276.07877	6.2
277.08615	4.4
279.10132	8.9
291.10150	21.8
292.10870	4.4
293.08105	2.9
295.09943	1.0
295.13403	2.5
297.07617	1.0
308.10501	3.1
311.12781	23.2
311.16214	2.1
323.09787	1.4
323.12781	38.2
324.12897	1.2
325.14319	2.2
483.69885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1186
Annotation	Malonyldaidzin
Peak:m/z	Relative Intensity
51.02935	0.1
61.51673	0.1
67.01853	0.5
67.05487	0.1
68.99799	0.4
69.03430	0.2
69.07061	0.1
69.33672	0.3
69.34101	0.6
77.96394	0.1
79.05473	0.1
81.03426	0.2
81.07047	0.1
85.02897	0.3
91.05450	0.2
93.07020	0.1
95.08559	0.2
97.02861	0.2
103.05470	0.8
105.03376	0.4
109.02869	0.2
111.00773	0.1
119.08646	0.1
121.10023	0.1
121.37024	0.1
122.06039	0.1
127.03934	0.2
129.01810	0.1
129.03349	0.5
129.04164	0.1
133.10100	0.1
137.05954	0.3
137.09648	0.1
147.04411	0.6
149.13307	0.1
153.01823	3.1
153.06964	0.1
161.06029	0.2
171.02936	0.5
187.07544	0.2
191.49783	0.1
207.06468	0.1
209.06050	0.5
213.05499	0.2
227.06960	0.1
231.06573	0.2
237.05438	0.1
255.06508	100.0
256.06827	1.4
417.11649	0.6
503.11761	1.1
503.25272	0.1
503.31839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.7
57.10291	0.4
60.34861	0.4
61.02917	0.6
67.05508	2.1
69.20532	0.5
71.44903	0.4
73.95885	0.4
74.80147	0.5
79.05467	1.1
81.07044	1.6
83.08595	0.7
91.05456	1.2
93.07055	0.9
95.04978	0.6
95.08614	0.6
97.06521	0.6
98.20794	1.1
99.20299	0.4
102.53008	0.4
104.33823	0.4
105.07031	0.8
107.08549	0.7
109.10173	1.2
117.07040	0.5
119.08585	1.1
121.10116	0.7
131.08582	1.2
133.10144	0.5
159.11781	0.6
169.30042	0.5
171.11728	0.6
201.88295	0.5
445.25558	1.5
457.49094	0.5
473.69788	0.6
501.28210	100.0
502.28482	2.4
514.79150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01865	7.1
55.05514	36.9
57.03439	27.5
57.07075	17.1
61.02640	4.4
61.02926	55.8
67.05503	44.3
69.03435	34.7
69.07068	48.9
71.01353	5.0
71.04999	7.4
71.08624	6.2
71.60825	3.5
72.74766	2.8
73.02910	27.0
79.05504	21.0
81.03414	20.6
81.07063	45.8
83.04962	4.0
83.08613	32.9
85.02423	4.6
85.02902	62.0
85.10172	4.3
87.04472	4.6
91.03950	33.3
91.05492	9.1
93.07040	26.6
95.04945	5.2
95.08610	37.0
97.02888	52.5
97.06522	5.1
97.10167	17.5
99.04453	8.9
101.02377	11.9
103.03938	7.3
105.07023	6.0
107.08589	11.5
109.02853	12.9
109.06557	2.9
109.10148	19.7
111.08083	3.6
111.11721	7.1
113.46378	2.6
115.03938	5.4
121.10144	26.2
123.11703	6.3
127.03917	23.2
129.05505	6.3
131.08597	6.0
133.10106	2.6
135.11688	21.4
136.26691	2.6
137.13295	4.8
139.11241	3.0
145.04948	7.9
145.10144	5.3
145.30644	3.1
149.13248	8.7
151.14819	2.9
163.14844	4.0
169.14777	2.5
173.13177	3.6
177.50082	2.7
181.15845	2.8
183.06592	7.4
201.07651	3.9
210.14201	2.3
213.75256	2.8
247.24193	13.8
251.04327	2.7
264.73108	2.5
265.25284	34.8
306.26022	3.0
318.62549	3.1
339.24872	5.5
339.28943	100.0
346.31088	2.7
367.28619	3.5
483.33203	4.1
501.35080	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	501.1598
Annotation	Haploperoside C
Peak:m/z	Relative Intensity
53.03941	0.3
55.05513	0.3
57.03428	1.0
58.43406	0.2
67.01872	0.4
68.99787	0.3
69.03418	0.6
70.06586	0.8
71.04996	4.8
71.59520	0.4
72.08126	0.3
75.04469	0.3
81.03410	0.6
83.05005	0.3
85.02435	0.3
85.02910	5.4
86.09715	0.5
91.05459	0.6
91.87768	0.2
93.07019	0.3
95.04974	0.2
95.08595	0.5
97.02923	0.4
109.02870	0.5
110.07153	0.2
111.04459	0.2
114.06620	0.5
117.03336	0.3
117.06931	0.2
119.04971	0.3
119.08548	0.5
121.10156	0.3
123.04408	0.5
125.06010	0.4
127.03912	0.7
129.05449	1.1
135.95790	0.2
137.05994	0.5
143.05641	3.3
145.02847	0.7
145.07623	0.4
147.04401	0.7
147.06516	0.3
149.05887	0.3
149.09637	0.2
151.03876	0.3
153.01802	0.3
169.04968	0.4
175.03957	0.4
177.01842	0.3
177.05479	1.9
183.04587	0.2
193.04970	100.0
194.05318	0.8
207.06548	1.1
207.13824	0.4
223.06053	0.7
316.44565	0.2
339.10703	0.3
351.32858	0.2
355.10254	9.0
441.12018	0.2
501.18436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
66.04741	0.4
67.05489	0.7
69.03423	1.4
70.06609	0.4
70.94525	0.5
70.94852	0.6
71.91930	0.3
79.05503	0.5
81.03416	0.5
83.04978	0.8
85.02900	2.2
90.05560	0.5
91.05468	0.7
94.04176	0.9
95.04958	1.0
97.02894	1.0
98.21405	0.4
107.04947	1.1
109.02893	0.7
111.04472	0.6
119.04963	0.5
119.96494	0.4
121.06487	0.5
122.03639	4.2
123.04408	0.5
127.03896	1.0
135.04378	0.7
137.05977	100.0
138.06354	0.7
139.03888	1.0
143.05652	2.6
144.04089	2.5
145.02806	0.5
147.04442	1.0
149.05974	1.0
151.07605	0.5
153.07014	0.6
160.07338	0.4
163.03951	1.0
167.06999	0.5
177.05528	0.7
179.07014	1.2
181.04971	0.3
181.06488	1.0
184.09651	0.6
202.10713	1.1
213.09154	1.1
220.11920	0.4
220.38629	0.4
221.05823	0.4
227.05414	0.5
234.09735	0.5
241.08452	0.7
253.08417	0.6
273.11249	3.3
285.11151	2.0
299.21957	0.4
303.12292	1.0
339.11063	0.6
343.25726	0.4
364.15942	1.6
392.87460	0.4
407.98114	0.4
500.14243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88789	1.9
55.01881	2.9
55.05490	3.3
56.96299	3.1
56.96569	55.3
60.59014	2.0
64.16166	2.3
67.05500	6.2
69.03419	5.9
69.07054	3.9
70.06593	4.7
70.30379	1.7
71.60979	3.1
73.02916	4.6
77.82919	1.9
79.05495	3.1
80.06873	1.9
81.03407	3.6
81.07047	9.5
83.04977	3.8
84.08152	3.2
84.96038	33.5
85.02918	11.4
86.09706	3.5
91.05475	11.6
93.07051	5.1
95.04964	4.5
95.08596	2.8
97.02874	6.9
97.06518	4.3
98.97588	79.4
99.04420	2.4
102.97054	6.7
105.07024	6.3
107.08607	4.0
109.10146	7.2
110.97573	11.1
112.99152	7.5
116.97832	3.5
116.98628	60.9
117.03386	2.2
119.04910	3.8
119.08553	4.9
120.98135	2.6
121.02842	2.7
121.06535	4.3
121.10104	3.5
123.11713	2.3
124.99145	7.0
127.03896	5.0
128.98611	23.6
131.00169	19.8
131.08566	2.9
133.10146	6.4
134.99660	30.4
135.11664	3.3
137.05978	8.3
137.09607	3.8
140.00197	2.9
140.98595	2.8
143.00159	35.2
143.05644	9.4
144.98120	5.4
145.01779	3.8
145.02863	8.2
145.10114	2.9
146.99654	16.8
147.04378	5.0
147.11673	2.9
149.01213	19.5
149.09645	3.0
153.00719	2.9
153.32500	2.2
158.99678	31.8
159.08095	2.1
159.11702	2.1
161.01227	71.2
162.99173	12.1
163.02716	2.2
167.00183	4.7
170.99666	5.8
173.01210	6.9
174.99095	3.5
175.03960	6.1
175.14746	2.0
177.00719	45.5
177.05484	32.6
177.12817	2.4
179.02284	23.0
181.00171	2.5
182.99722	3.5
184.02811	4.5
185.01216	35.0
187.02760	4.2
189.00673	8.0
191.02264	3.6
195.01720	7.1
201.00665	24.4
201.02310	2.3
203.02283	56.0
207.01756	6.6
207.06529	13.0
210.99097	4.9
213.00728	4.5
215.02417	3.9
217.03877	6.6
219.01772	100.0
221.03320	8.2
225.00626	5.0
225.02661	2.5
226.03969	2.3
227.02299	2.6
229.00208	41.5
229.03799	4.5
233.11742	2.7
237.02800	56.6
242.03294	5.7
243.01784	5.0
245.03348	17.2
247.01230	15.1
253.00201	6.6
257.03354	2.6
260.04410	2.5
261.02820	3.0
263.04309	3.7
265.08594	2.4
269.03403	4.0
271.01428	10.3
271.06064	15.0
273.02795	7.2
275.01935	3.3
275.04514	4.2
283.06183	4.6
285.02808	4.3
287.04379	12.8
289.05954	6.2
291.03830	2.6
295.06152	3.8
297.02820	6.4
307.06714	2.2
319.01123	3.5
337.02313	13.2
337.06335	3.1
339.04169	4.0
339.12003	3.9
347.06482	31.5
355.03467	17.7
365.07538	19.7
369.11935	2.4
373.04489	4.4
388.08890	2.9
390.78922	2.5
399.06061	16.6
441.06924	9.4
455.72964	2.2
483.08182	20.4
501.02066	3.2
501.09375	47.0
501.17163	7.4
502.09863	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	499.2666
Annotation	12,13-Deoxyroridin E
Peak:m/z	Relative Intensity
55.05519	0.7
67.05498	1.3
71.60969	0.5
75.24094	0.3
79.05493	0.7
81.03454	0.5
81.07059	1.4
91.05460	0.8
93.07044	0.8
95.08613	0.5
100.11247	0.5
107.08558	0.5
109.10187	0.5
116.61339	0.4
119.08566	0.5
137.71878	0.4
143.08537	0.4
151.42188	0.4
191.89996	0.4
195.00320	1.0
202.98050	0.4
215.11581	0.4
219.10127	0.4
238.95523	0.4
443.24118	2.3
499.26642	100.0
500.26996	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	498.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.0
57.03440	5.7
58.06602	37.3
59.05011	0.8
59.07384	12.1
60.08168	9.8
63.73061	0.6
63.77929	0.6
67.05506	11.1
69.07075	3.6
69.49979	5.4
72.64874	0.7
73.02929	0.8
75.04482	2.8
76.25175	0.6
79.05492	4.2
81.07062	9.6
83.08619	1.5
84.08164	1.0
85.02911	2.6
85.06606	0.7
87.04488	3.4
91.05483	1.8
93.07039	2.8
95.08609	5.8
100.11254	0.7
105.05534	1.2
105.07017	1.2
107.08600	1.7
109.10171	2.2
119.08546	1.2
121.10179	1.1
131.07059	1.4
135.11658	0.7
144.10205	8.7
162.11281	1.8
170.58156	0.7
173.65182	0.7
236.14935	86.2
269.17404	0.9
463.30774	1.2
480.36877	26.7
498.37918	100.0
499.38452	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54737	0.2
56.96558	0.4
60.05644	0.3
61.85722	0.2
67.05475	0.2
67.76657	0.2
68.09404	0.2
69.03439	1.0
70.06586	0.4
71.26331	0.2
71.26676	0.2
73.04041	0.2
79.05489	0.8
81.03426	0.3
81.07052	0.2
83.02517	0.2
85.02908	1.0
85.10217	0.2
86.09742	0.3
87.06719	3.7
89.03935	0.3
95.04955	0.3
97.02894	0.5
98.06055	0.2
100.20371	0.2
107.04942	1.6
108.08128	0.4
109.02872	0.3
111.04480	0.4
117.03391	0.3
119.04958	0.4
121.02872	0.3
121.06491	0.4
121.31934	0.2
123.04443	0.4
124.07585	0.4
125.04591	0.3
125.06029	0.3
126.02982	0.3
127.03916	0.5
128.92842	0.2
134.06000	0.3
135.04414	1.8
136.07547	0.2
137.06013	0.3
137.32802	0.2
138.05507	0.3
139.03957	0.3
140.07033	0.2
141.04062	0.8
142.04912	0.2
143.05646	100.0
144.05995	0.3
145.02834	0.4
145.05009	0.3
146.99675	0.2
147.04417	0.7
149.06013	1.1
150.05508	0.3
152.07060	0.6
153.05400	0.4
163.03894	2.5
164.07100	0.4
167.07047	2.1
168.06570	0.6
170.08197	0.2
177.00746	0.2
177.05470	0.5
185.06790	0.2
187.03850	0.2
195.06468	0.3
205.06577	0.5
207.08112	0.3
209.10715	0.2
233.06061	0.2
235.07571	0.3
237.02831	0.4
251.06938	0.5
252.97849	0.2
253.08534	0.4
265.09738	0.6
279.06534	1.4
283.05963	0.4
283.10733	1.0
293.07971	0.2
297.07544	0.8
301.11740	1.1
305.10873	0.5
307.05957	0.4
319.12985	1.2
325.07227	1.0
481.11533	0.3
481.18069	0.2
499.17212	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	498.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.05509	11.7
56.96575	2.1
57.03434	10.4
64.16838	1.9
67.05177	2.5
67.05507	42.1
69.07060	13.8
69.79960	4.7
69.80383	8.8
76.71624	2.0
78.05877	2.3
79.05485	33.7
81.03410	2.9
81.06580	3.7
81.07053	64.4
83.04986	4.2
83.08621	12.0
85.02868	3.1
85.06527	3.9
91.05475	24.1
93.07042	39.5
95.04940	6.5
95.08612	20.5
97.06504	6.4
97.10160	2.4
98.20839	4.0
105.07042	12.9
107.07961	2.4
107.08603	22.7
109.06486	2.3
109.10140	5.8
111.08063	5.6
117.06992	8.1
119.08575	7.0
121.06419	2.3
121.10151	10.4
123.11716	4.7
129.07004	4.2
129.20045	2.0
131.08568	11.8
133.10124	13.0
135.11707	7.4
141.06998	2.6
143.08578	3.7
145.10101	4.1
149.13252	18.7
151.11206	3.4
159.11697	11.0
161.95015	2.0
181.10078	1.9
195.13768	10.6
213.14816	3.2
251.16292	2.2
269.17456	55.2
353.24634	4.2
371.25528	3.4
376.44910	3.2
389.26593	2.8
438.15961	3.2
445.29358	14.4
463.30539	100.0
464.30545	3.0
474.31641	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
54.23072	1.1
55.01870	2.1
55.05519	6.3
56.96564	1.4
57.03435	6.6
61.02929	2.7
64.15679	1.3
65.03922	1.6
67.05505	33.3
69.03411	4.2
69.07074	7.5
71.04990	9.7
71.60638	1.9
79.05485	10.2
81.03412	4.7
81.07059	51.3
83.04962	4.8
83.08617	5.1
85.02906	6.0
85.06548	6.8
85.60206	1.3
91.05481	17.3
93.07044	23.0
95.04955	3.2
95.08620	9.9
97.02888	5.0
97.06516	5.0
97.10166	1.9
99.04465	1.9
99.08093	2.7
105.07021	7.9
107.08600	8.5
108.04436	1.9
109.02892	3.9
109.06499	2.0
109.10136	4.8
111.08087	2.9
115.35699	1.2
117.03356	1.8
117.07027	5.4
119.04953	1.7
119.08597	1.9
121.06548	1.4
121.10152	5.3
123.11696	7.6
127.03904	4.1
131.08539	6.9
133.06508	1.7
133.10127	11.7
135.11708	5.2
137.05965	3.1
143.05666	4.9
145.02882	1.4
146.05946	1.4
147.04410	3.3
148.07626	1.3
149.06007	2.2
149.13269	12.6
151.11156	5.3
153.05554	1.3
159.11691	26.3
161.13281	3.5
167.07014	3.6
177.05447	5.1
177.12741	32.4
177.14241	1.8
179.14268	7.0
183.13849	2.0
187.07579	1.4
187.11685	1.2
187.13289	7.7
195.13759	7.1
199.55035	1.2
207.06590	2.2
207.66820	1.2
211.08817	1.5
219.01781	1.5
225.10370	1.8
239.11850	3.6
243.15932	33.4
251.16411	13.8
253.09680	2.4
267.11356	5.9
269.17474	100.0
270.17770	1.7
295.10684	2.1
295.15872	2.0
301.20065	16.0
313.11865	18.1
313.15759	2.2
337.10599	5.7
341.11090	2.5
373.13956	48.1
374.14206	2.6
445.24405	7.7
480.20956	1.3
498.28436	1.3
499.16559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.3
55.01862	0.3
55.05503	0.4
56.96570	0.3
57.03188	0.3
57.03433	1.8
57.07071	1.1
58.43531	0.3
59.11073	0.3
61.02921	0.5
62.56339	0.3
63.94913	0.3
65.03936	0.4
67.05496	0.7
69.03428	3.0
69.07039	0.3
69.70506	0.5
69.70833	2.0
70.06599	2.2
71.04996	1.0
72.04517	0.4
72.08153	0.5
73.02909	0.3
75.88777	0.3
79.05492	0.4
81.03414	1.9
81.50439	0.3
83.04990	0.6
84.08118	1.1
85.02902	3.1
85.06543	3.0
86.09695	0.4
87.87415	0.3
88.03983	0.3
90.33282	0.3
91.05496	0.9
94.35051	0.3
95.04967	0.6
97.02895	4.4
98.09689	0.7
99.04437	0.8
103.07578	11.4
107.04942	0.4
109.02875	1.4
109.06525	0.4
111.04444	0.7
112.07612	1.1
113.06003	0.3
119.04932	1.2
120.04490	0.3
121.06484	0.4
123.04340	0.3
127.03913	2.4
132.04453	5.3
136.07579	0.7
137.05989	1.6
140.07051	1.2
143.05670	1.8
145.02855	0.9
145.04997	1.9
147.04440	1.8
149.06020	0.4
160.03844	0.3
161.05966	0.3
163.03909	0.9
164.27669	0.4
165.05463	0.3
166.04971	0.4
167.07005	0.3
177.05482	1.1
178.04993	52.1
179.05299	0.4
179.10767	0.4
182.08067	0.5
204.31725	0.3
206.04485	100.0
207.04826	0.7
207.06557	0.8
231.08540	0.3
237.02754	0.4
288.14417	0.3
313.11691	0.6
350.21133	0.4
351.16501	0.4
490.58328	0.4
498.16342	4.5
499.13016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94102	0.4
67.05505	0.8
69.03434	0.8
69.52733	3.8
70.06591	1.0
79.05499	0.6
81.07059	0.9
85.02911	1.2
86.09708	2.1
91.05498	1.3
93.07048	0.7
95.04948	0.7
95.08600	0.7
97.02901	0.6
98.21459	1.1
105.07060	0.9
107.08568	0.7
119.04988	0.7
127.03917	0.7
137.05933	0.6
139.06116	0.8
143.05634	3.1
147.04474	0.8
156.25830	0.5
157.07678	0.9
167.07069	0.6
177.05495	0.8
180.27710	0.6
181.25769	0.5
207.06564	0.7
227.05241	1.0
249.14627	4.4
266.43561	0.6
266.81805	0.5
271.04312	2.0
393.19168	1.0
411.19788	7.8
435.19876	1.2
453.14371	0.8
453.20938	20.9
497.19974	100.0
498.20490	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	497.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.4
55.01866	6.1
55.05514	29.2
57.03436	41.8
61.02924	62.2
65.03915	4.7
66.69196	4.0
67.05510	87.0
68.38157	4.1
69.03425	39.4
69.07071	25.0
69.35313	23.0
69.35748	17.8
71.01349	9.9
71.04992	7.8
71.05367	3.9
73.02917	34.1
79.05495	62.5
79.20101	4.0
81.03414	20.7
81.07059	100.0
83.04974	10.9
83.08614	9.6
85.02905	67.1
85.06568	4.2
91.03946	42.8
91.05480	33.0
93.07037	58.8
95.04938	11.6
95.08606	79.3
97.02891	61.9
97.10162	4.6
99.04420	14.3
101.02354	12.9
103.03926	15.0
105.07048	29.9
107.08618	33.4
109.02882	11.7
109.06507	5.5
109.10172	31.7
115.03943	5.7
117.06994	11.9
119.08575	20.8
121.10133	30.8
123.11694	16.4
127.03899	25.4
131.08557	20.5
131.96101	4.2
133.10115	18.7
135.11710	23.8
137.13303	4.6
145.04932	10.6
145.10112	17.0
147.11668	12.7
149.13251	11.2
157.10196	5.1
159.11644	14.3
161.13246	5.0
163.14813	4.8
171.11601	6.5
173.13284	13.9
177.16264	5.3
185.13303	5.0
187.14833	7.4
201.16336	6.8
211.14954	5.0
243.21001	7.9
254.98262	4.1
261.22183	27.4
317.09195	4.6
335.25790	96.8
443.27826	4.6
479.30023	4.4
497.31039	18.0
505.59061	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	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05512	0.6
56.05022	1.0
57.03431	0.5
57.07076	3.7
58.06572	1.1
59.07377	0.3
60.08165	17.3
67.05512	1.1
69.07055	0.5
70.66850	0.7
71.07377	6.8
71.08636	1.4
81.07044	1.1
83.08626	0.4
85.10188	0.9
86.09705	50.5
87.10040	0.5
95.08611	1.2
98.21414	0.2
98.98464	3.8
104.10742	100.0
105.11069	0.7
109.10160	0.5
109.64736	0.2
114.39853	0.3
123.11671	0.3
125.00002	28.9
143.00984	0.5
163.01546	0.8
179.87489	0.2
184.07338	97.8
185.00330	0.2
185.07707	0.5
220.54294	0.2
258.11081	1.2
307.79202	0.2
313.27435	1.7
352.71008	0.2
380.53799	0.2
419.25424	0.3
478.32965	7.9
496.33969	27.1
497.34781	1.1
497.41074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
56.05038	4.0
59.75025	2.1
68.99786	8.3
69.03426	5.4
69.26566	3.5
69.26966	21.4
70.06586	8.1
75.05592	2.1
79.09162	2.1
81.03394	7.0
83.04959	2.6
85.02908	7.2
85.74556	2.2
86.09708	3.0
89.03914	4.5
91.05515	4.5
91.08825	2.3
94.06508	2.3
95.04945	2.7
97.02898	8.6
98.97579	3.0
103.03976	2.1
109.02849	5.7
110.07104	2.2
111.04443	8.4
111.08062	3.5
116.98592	3.5
119.04970	4.1
121.02860	6.2
122.06039	5.1
127.03922	2.5
135.04453	4.9
136.07578	2.7
138.05492	2.8
139.03900	52.4
140.07057	3.8
143.05641	16.3
145.02812	2.6
147.04413	6.3
157.04971	7.8
160.07477	2.3
161.05956	2.5
162.09152	6.2
163.03941	12.1
164.07051	3.5
165.05544	2.0
168.06613	3.3
177.05486	2.9
179.03320	2.5
180.10236	3.6
187.08669	4.3
199.08746	4.7
199.49249	2.0
200.09491	2.8
201.10246	17.4
202.11024	4.9
204.06577	2.9
207.06375	2.4
208.09688	8.9
213.10341	4.7
215.08185	12.1
215.11725	12.6
225.10210	4.3
225.73785	2.1
227.08150	5.1
229.09830	11.2
229.13304	2.3
230.10599	6.5
233.09491	2.4
237.02914	4.4
241.06071	3.9
241.09763	7.7
243.11269	8.3
245.09213	4.4
247.10820	3.9
255.11349	7.5
257.12888	2.6
259.07181	3.5
259.10751	7.4
269.09222	5.2
269.13080	2.0
271.10699	3.5
273.08640	7.4
273.12366	4.5
274.13116	2.8
287.10257	6.6
289.11786	16.4
291.09946	2.4
295.10864	3.7
297.08875	2.7
297.12161	2.7
299.10620	3.0
299.13837	4.7
302.12628	41.3
307.12827	6.0
313.11826	3.4
315.09695	12.6
315.13406	39.5
316.14154	41.7
317.11404	20.9
331.12762	3.0
333.10849	38.4
335.12491	4.4
359.12369	6.1
446.17126	5.6
464.17886	100.0
479.16568	6.9
497.17682	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.7
53.03932	1.1
55.05507	2.8
56.62110	0.6
57.03440	3.1
59.04987	1.4
61.02914	1.2
67.05507	1.6
69.03407	2.3
69.07051	2.1
69.42387	2.0
69.42806	4.1
70.06571	0.6
71.04596	1.3
71.04993	27.4
73.02919	0.7
73.06554	2.9
75.04485	1.7
79.05487	3.7
81.03424	2.8
81.07061	14.0
83.04968	4.2
83.08600	0.9
84.08176	0.9
85.02909	28.2
86.09693	0.9
87.04513	0.8
91.05484	2.0
93.07051	10.8
95.04977	1.6
95.08609	1.9
97.02893	2.3
97.06495	1.4
99.04462	1.2
105.07069	1.3
107.08590	8.6
109.02892	1.4
109.10151	1.8
111.04461	3.1
111.24359	0.6
119.08601	1.3
126.09159	1.3
127.03931	2.4
129.05484	10.7
135.11699	17.6
137.05951	1.4
143.05640	2.9
145.04961	1.9
147.04460	1.0
147.06535	5.9
147.11676	0.7
153.12750	100.0
154.13028	0.9
167.07062	0.8
191.08145	2.9
255.08665	1.3
267.15891	1.2
271.06009	1.0
273.09839	1.3
291.13470	2.6
309.11819	1.8
313.11874	0.7
333.06110	1.4
334.06363	4.5
334.13800	4.2
335.12454	0.9
335.91275	0.7
397.98517	0.6
411.19879	1.1
453.20911	1.9
459.39584	0.7
496.19208	2.0
497.20102	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	495.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.05512	85.0
56.82457	4.3
57.03426	10.8
57.07074	7.5
67.05505	96.3
69.07068	30.3
78.48052	3.6
79.05067	6.1
79.05491	80.5
81.07060	100.0
83.04986	9.6
83.08619	37.6
85.02903	4.2
85.06530	4.7
91.05469	33.1
93.07036	53.2
93.27512	3.6
95.04923	6.0
95.08051	6.3
95.08607	67.5
97.06538	6.0
97.10167	45.6
98.21613	7.1
102.29725	3.4
105.07053	25.6
107.08601	56.1
109.10160	40.5
117.06996	10.2
119.08575	20.9
121.10152	31.8
123.11686	20.3
125.09645	36.4
128.19791	4.0
131.08589	20.5
133.10135	16.8
135.11729	18.8
137.13229	5.3
143.10663	10.3
145.10103	14.1
147.11649	13.1
149.13242	12.8
159.11652	10.0
161.13225	6.6
163.14848	8.4
171.11652	5.1
173.13240	14.1
174.17444	3.6
175.14713	5.0
187.14789	6.7
199.13245	8.0
215.12779	6.8
217.14328	78.2
229.42221	4.2
233.22694	4.5
243.21085	13.4
259.20453	4.5
261.22141	56.9
279.23221	4.4
317.24588	7.4
335.25806	42.0
337.27405	6.7
353.26877	18.7
385.30902	8.4
403.32025	19.5
459.34015	5.4
477.35779	23.9
484.92294	3.6
495.34915	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	495.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.05512	85.0
56.82457	4.3
57.03426	10.8
57.07074	7.5
67.05505	96.3
69.07068	30.3
78.48052	3.6
79.05067	6.1
79.05491	80.5
81.07060	100.0
83.04986	9.6
83.08619	37.6
85.02903	4.2
85.06530	4.7
91.05469	33.1
93.07036	53.2
93.27512	3.6
95.04923	6.0
95.08051	6.3
95.08607	67.5
97.06538	6.0
97.10167	45.6
98.21613	7.1
102.29725	3.4
105.07053	25.6
107.08601	56.1
109.10160	40.5
117.06996	10.2
119.08575	20.9
121.10152	31.8
123.11686	20.3
125.09645	36.4
128.19791	4.0
131.08589	20.5
133.10135	16.8
135.11729	18.8
137.13229	5.3
143.10663	10.3
145.10103	14.1
147.11649	13.1
149.13242	12.8
159.11652	10.0
161.13225	6.6
163.14848	8.4
171.11652	5.1
173.13240	14.1
174.17444	3.6
175.14713	5.0
187.14789	6.7
199.13245	8.0
215.12779	6.8
217.14328	78.2
229.42221	4.2
233.22694	4.5
243.21085	13.4
259.20453	4.5
261.22141	56.9
279.23221	4.4
317.24588	7.4
335.25806	42.0
337.27405	6.7
353.26877	18.7
385.30902	8.4
403.32025	19.5
459.34015	5.4
477.35779	23.9
484.92294	3.6
495.34915	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	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
53.03936	4.8
55.05268	2.1
55.05513	28.8
56.96566	2.6
57.03185	1.4
57.03437	17.6
57.07054	1.0
59.04998	1.9
59.18995	0.9
65.03928	4.3
67.05506	54.3
69.03429	9.3
69.07068	12.9
69.40199	0.9
70.09509	3.3
70.09914	2.2
71.04991	9.0
73.02940	1.7
79.05493	46.7
81.03418	88.3
81.07056	58.4
83.04982	22.5
83.08618	33.3
85.02905	43.7
85.03432	1.5
85.06527	3.9
91.05480	57.8
93.06470	2.4
93.07041	34.1
95.04972	43.2
95.08611	22.0
97.02908	7.3
97.06525	8.3
97.10154	8.9
98.21371	1.4
98.97580	1.4
99.04466	1.6
99.08057	1.7
103.05446	1.4
105.07030	38.5
107.04961	12.1
107.08585	20.1
109.02872	2.2
109.06515	9.0
109.10138	9.8
111.04431	7.3
111.08071	18.1
113.06003	4.2
115.05437	2.6
116.36354	1.1
117.07018	7.3
119.04949	2.9
119.08588	34.0
120.08877	1.4
121.06507	5.3
121.10143	15.4
122.06099	1.9
123.04436	1.9
123.08030	5.0
123.11724	6.6
125.06038	1.8
125.09637	6.5
127.03947	2.3
128.06224	1.3
129.06995	17.3
130.07730	1.2
131.04874	1.1
131.08574	21.2
133.06493	5.1
133.10126	20.5
135.08047	3.0
135.11702	4.7
137.05975	2.1
137.09619	4.1
137.13155	1.1
139.11156	1.3
141.06970	1.8
142.07773	3.9
143.05659	6.2
145.06454	1.9
145.10092	6.2
145.23624	1.1
147.04425	1.5
147.08047	5.8
147.11682	22.4
148.12003	1.2
148.63873	1.3
149.05978	1.5
149.09613	9.7
149.13245	2.8
151.07538	1.9
151.11165	1.8
153.12704	1.6
155.08548	1.4
157.10109	16.9
159.11702	2.6
163.11205	4.4
165.12737	6.5
167.07045	2.2
171.11664	1.9
173.13362	1.3
175.11179	24.2
177.05522	2.5
181.12238	2.4
189.11200	2.6
189.12747	1.6
191.10680	2.1
193.12250	79.6
195.13972	1.2
197.13399	1.4
207.06589	3.2
209.11673	2.7
209.13387	1.1
211.13290	100.0
212.13612	1.7
217.02472	1.3
227.12779	4.4
229.14311	1.4
229.29692	1.1
249.14938	1.3
257.04437	1.6
267.15930	8.0
269.17532	1.8
283.15479	1.7
285.03864	1.1
285.16980	3.4
289.11069	2.1
357.24240	1.8
367.22589	2.5
385.23703	3.1
403.24878	2.9
404.16315	1.8
459.27560	2.7
464.18115	4.3
477.28601	7.5
484.61801	1.1
495.29538	84.4
496.29657	2.1
497.09772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Herkesterone
Peak:m/z	Relative Intensity
50.02770	1.9
53.03949	2.1
55.01845	14.1
55.05517	18.4
57.03437	6.5
57.07063	3.8
59.05003	3.2
60.74437	1.8
63.79119	2.1
65.03938	2.8
67.05508	59.6
69.03427	3.6
69.07063	15.6
71.04989	4.7
71.60381	2.1
74.13216	1.6
79.05491	28.6
81.02989	1.9
81.03410	10.0
81.07060	48.5
83.04994	10.8
83.08627	12.2
85.02905	4.0
85.06538	3.1
91.05486	21.8
93.07040	31.2
95.04967	9.0
95.08617	15.8
95.29697	2.0
97.06525	8.3
97.10170	7.2
105.07037	13.6
107.04942	2.2
107.08591	21.5
109.10162	27.4
111.08089	4.1
117.07020	5.4
119.08566	8.9
121.06503	2.7
121.10170	10.2
123.11706	2.7
125.09623	6.3
129.07014	2.0
131.08569	6.8
133.06343	1.7
133.10130	7.7
135.11699	8.4
145.10132	2.2
147.11684	5.2
149.13246	7.3
153.12811	2.4
157.10162	2.3
159.11694	4.8
163.11256	4.5
165.12747	2.1
173.11743	6.7
175.11237	2.5
181.12222	2.8
193.12230	3.0
195.13766	4.6
227.12813	2.2
255.15913	3.4
261.55814	1.8
267.15915	3.4
269.17346	2.0
283.15430	6.9
295.18805	3.5
297.16852	2.4
313.25641	1.9
322.64633	1.9
323.22269	2.1
396.12161	2.6
408.12262	2.3
409.12903	6.8
410.13516	6.4
411.14151	2.4
423.14569	6.7
423.27161	7.4
424.15295	7.6
425.15854	3.1
426.16895	2.6
436.11426	4.0
436.56177	2.0
437.12369	7.7
438.13000	7.2
451.14014	7.3
452.14676	8.3
453.15161	3.6
455.13116	2.4
456.13745	2.0
461.12839	2.2
467.17184	14.9
477.28436	2.9
480.14346	6.8
481.15045	4.5
484.14142	2.7
495.16592	100.0
495.28836	29.6
496.16959	26.5
513.17859	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	495.1287
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
52.06922	0.2
53.03917	0.3
53.05391	0.3
55.05493	0.8
57.03415	0.6
66.04693	0.4
67.05479	1.2
68.99778	0.4
69.03404	0.5
69.07046	0.7
69.56113	0.2
70.86478	0.3
70.86808	0.6
71.04978	0.6
78.04697	0.3
79.05131	0.2
79.05496	2.2
81.03387	0.6
81.07050	1.6
82.07437	0.3
83.04965	0.4
83.08598	0.6
89.03880	0.4
91.05045	0.3
91.05484	2.9
93.07040	2.1
95.04994	1.4
95.08581	0.9
97.02879	0.3
102.04668	0.5
103.05466	3.4
104.06266	0.4
105.03366	0.4
105.07028	2.6
106.07339	0.5
107.04950	1.5
107.08591	0.8
109.02834	0.6
109.06510	1.9
109.10130	0.8
110.20671	0.3
110.24481	0.3
111.04403	0.3
115.05416	0.7
117.03415	0.5
117.06993	0.5
118.04169	3.3
119.04953	0.7
119.08553	0.8
121.06507	2.0
121.10126	1.0
123.04433	0.7
123.08037	0.4
123.61462	0.3
124.05183	0.8
125.02296	0.4
125.09629	0.3
130.04147	1.5
131.04939	4.0
131.08531	0.6
132.05687	2.0
133.02829	0.7
133.06479	2.5
133.10114	0.4
134.06839	0.9
135.04375	0.9
135.08057	1.3
137.05954	0.8
138.06340	0.3
140.04700	2.1
143.05653	0.7
143.08504	0.4
145.02937	0.4
145.06503	0.4
145.10072	0.3
146.03619	2.3
147.04370	1.6
148.05127	0.8
149.05969	1.3
150.06732	0.7
151.03877	0.5
153.01836	6.3
153.05470	1.1
153.09044	0.3
154.06166	0.3
155.07034	0.4
159.04417	0.6
160.05205	1.1
161.02312	0.6
161.05989	1.9
161.09599	0.4
162.03096	0.9
163.03874	1.1
163.07550	0.4
165.05482	0.5
165.09149	1.2
166.06245	0.6
166.09450	0.5
167.07040	2.3
168.07802	0.4
171.02925	0.4
173.06013	0.5
176.04700	2.2
177.05481	2.8
178.06282	3.7
179.07063	0.5
180.07634	0.4
181.08549	0.4
189.24834	0.3
191.07030	3.7
191.14288	0.5
192.07849	2.1
192.53725	0.3
193.03267	0.4
193.04900	0.4
193.08607	8.8
194.03351	0.3
194.08948	6.7
203.03372	6.1
210.08832	0.6
213.05467	1.0
215.03519	0.3
219.13753	1.2
229.04968	6.7
233.05786	0.3
241.04951	1.3
242.05733	9.5
242.42416	0.3
253.04930	2.5
255.06538	0.4
256.07144	0.4
257.04453	53.8
258.05246	15.0
259.15369	0.6
269.04407	2.2
270.05325	1.4
271.06015	2.5
283.06039	0.6
284.06750	0.4
285.00787	0.5
285.03940	8.0
285.06845	0.3
286.04718	27.1
287.05499	17.8
293.17416	0.6
297.03918	4.7
298.64087	0.3
299.05573	1.8
300.06229	1.0
301.07108	0.4
311.05588	1.4
323.05637	0.4
324.13013	0.3
327.05045	2.4
341.06491	2.2
343.09918	0.3
359.09167	0.5
367.22827	0.3
369.93872	0.3
370.94135	0.4
373.07285	0.4
387.08688	0.4
391.07993	0.5
416.09064	0.6
419.07605	1.0
433.09631	0.4
445.09100	0.9
447.07095	1.6
461.08606	0.4
462.09543	1.1
465.11844	3.2
477.11829	14.0
480.10645	0.3
495.12860	100.0
496.13388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06922	0.2
53.03917	0.3
53.05391	0.3
55.05493	0.8
57.03415	0.6
66.04693	0.4
67.05479	1.2
68.99778	0.4
69.03404	0.5
69.07046	0.7
69.56113	0.2
70.86478	0.3
70.86808	0.6
71.04978	0.6
78.04697	0.3
79.05131	0.2
79.05496	2.2
81.03387	0.6
81.07050	1.6
82.07437	0.3
83.04965	0.4
83.08598	0.6
89.03880	0.4
91.05045	0.3
91.05484	2.9
93.07040	2.1
95.04994	1.4
95.08581	0.9
97.02879	0.3
102.04668	0.5
103.05466	3.4
104.06266	0.4
105.03366	0.4
105.07028	2.6
106.07339	0.5
107.04950	1.5
107.08591	0.8
109.02834	0.6
109.06510	1.9
109.10130	0.8
110.20671	0.3
110.24481	0.3
111.04403	0.3
115.05416	0.7
117.03415	0.5
117.06993	0.5
118.04169	3.3
119.04953	0.7
119.08553	0.8
121.06507	2.0
121.10126	1.0
123.04433	0.7
123.08037	0.4
123.61462	0.3
124.05183	0.8
125.02296	0.4
125.09629	0.3
130.04147	1.5
131.04939	4.0
131.08531	0.6
132.05687	2.0
133.02829	0.7
133.06479	2.5
133.10114	0.4
134.06839	0.9
135.04375	0.9
135.08057	1.3
137.05954	0.8
138.06340	0.3
140.04700	2.1
143.05653	0.7
143.08504	0.4
145.02937	0.4
145.06503	0.4
145.10072	0.3
146.03619	2.3
147.04370	1.6
148.05127	0.8
149.05969	1.3
150.06732	0.7
151.03877	0.5
153.01836	6.3
153.05470	1.1
153.09044	0.3
154.06166	0.3
155.07034	0.4
159.04417	0.6
160.05205	1.1
161.02312	0.6
161.05989	1.9
161.09599	0.4
162.03096	0.9
163.03874	1.1
163.07550	0.4
165.05482	0.5
165.09149	1.2
166.06245	0.6
166.09450	0.5
167.07040	2.3
168.07802	0.4
171.02925	0.4
173.06013	0.5
176.04700	2.2
177.05481	2.8
178.06282	3.7
179.07063	0.5
180.07634	0.4
181.08549	0.4
189.24834	0.3
191.07030	3.7
191.14288	0.5
192.07849	2.1
192.53725	0.3
193.03267	0.4
193.04900	0.4
193.08607	8.8
194.03351	0.3
194.08948	6.7
203.03372	6.1
210.08832	0.6
213.05467	1.0
215.03519	0.3
219.13753	1.2
229.04968	6.7
233.05786	0.3
241.04951	1.3
242.05733	9.5
242.42416	0.3
253.04930	2.5
255.06538	0.4
256.07144	0.4
257.04453	53.8
258.05246	15.0
259.15369	0.6
269.04407	2.2
270.05325	1.4
271.06015	2.5
283.06039	0.6
284.06750	0.4
285.00787	0.5
285.03940	8.0
285.06845	0.3
286.04718	27.1
287.05499	17.8
293.17416	0.6
297.03918	4.7
298.64087	0.3
299.05573	1.8
300.06229	1.0
301.07108	0.4
311.05588	1.4
323.05637	0.4
324.13013	0.3
327.05045	2.4
341.06491	2.2
343.09918	0.3
359.09167	0.5
367.22827	0.3
369.93872	0.3
370.94135	0.4
373.07285	0.4
387.08688	0.4
391.07993	0.5
416.09064	0.6
419.07605	1.0
433.09631	0.4
445.09100	0.9
447.07095	1.6
461.08606	0.4
462.09543	1.1
465.11844	3.2
477.11829	14.0
480.10645	0.3
495.12860	100.0
496.13388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1286
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
51.28065	0.2
53.03944	0.3
55.05479	1.0
65.03928	0.3
65.49866	0.2
67.05501	2.5
67.43067	0.2
67.63572	0.2
68.99788	0.3
69.07037	0.7
71.67366	0.2
78.04705	0.3
79.05486	2.0
81.03415	1.1
81.07053	2.3
83.04954	0.7
83.08591	0.7
85.02895	0.4
85.06517	0.3
89.03918	0.3
90.82117	0.3
91.05479	2.4
93.07034	1.9
95.04974	1.6
95.08566	0.7
97.02888	0.4
97.06502	0.4
97.10133	0.4
99.04472	0.2
102.04658	0.6
103.04914	0.3
103.05463	2.9
105.03329	0.2
105.07014	1.6
107.04943	0.7
107.08566	1.0
109.06477	0.3
109.10117	0.7
111.04436	0.4
111.08038	0.5
113.01583	0.2
115.05429	0.5
116.63538	0.2
117.06964	0.6
118.04176	1.8
119.04911	0.8
119.08556	0.7
120.05569	0.2
121.06496	1.4
121.10102	0.7
123.04398	0.7
123.11727	0.3
125.02320	0.5
129.06976	0.2
130.04118	1.4
131.04913	4.5
131.08514	0.6
132.05708	2.3
133.02802	0.8
133.06458	0.6
133.10080	0.6
134.03590	0.4
135.04434	1.2
135.07951	0.3
135.11703	0.6
137.05956	0.2
139.11278	0.3
140.04681	2.1
145.02776	0.3
145.06441	0.4
145.10133	0.4
146.03616	2.5
147.04375	0.8
147.11638	0.5
148.05174	1.0
149.05986	1.2
149.09549	0.2
149.13203	0.5
151.03876	0.4
153.01830	6.0
153.05457	0.9
153.12715	0.2
154.06197	0.6
155.07079	0.3
159.11646	0.2
160.05176	1.4
161.02286	0.4
161.05965	1.2
162.03088	1.0
163.03857	0.6
163.07516	0.6
163.11131	0.6
166.06213	0.7
167.07036	1.9
171.02835	0.3
173.05981	0.8
176.04735	1.9
177.05450	2.8
178.06235	3.6
180.07788	0.4
181.08604	0.4
181.12213	0.4
191.07030	4.7
191.10664	0.3
192.07814	2.0
192.71082	0.3
193.04971	0.4
193.12213	0.4
201.05295	0.3
203.03375	5.4
205.06328	0.3
208.07170	0.3
210.08792	0.3
213.05423	0.6
215.14284	0.2
227.12779	0.6
229.04951	5.9
233.20724	0.2
241.05011	1.4
242.05734	11.4
243.06343	0.3
253.04948	2.2
255.06552	0.4
257.04440	54.0
257.80338	0.2
258.05222	16.7
259.05850	0.4
269.04474	2.0
270.05222	2.6
271.05957	1.7
272.06876	0.2
283.06039	0.6
285.03943	8.9
286.04712	30.2
287.05499	19.7
287.08817	0.5
297.03952	4.1
299.05457	1.7
300.06094	1.2
301.07089	0.5
307.06161	0.3
311.05472	0.5
327.04980	2.7
341.06604	2.4
343.09464	0.5
345.07401	0.3
359.09180	0.4
373.07169	0.3
387.08743	0.4
388.09659	0.3
403.08282	0.4
403.24631	0.3
405.05609	0.3
416.08972	0.7
417.09314	0.3
419.07559	0.9
427.13504	0.3
431.07562	0.3
433.09241	0.5
444.08307	0.5
445.09256	0.5
447.06876	1.6
449.08527	0.3
459.27231	0.3
461.08557	0.7
462.09518	0.8
465.11801	3.9
477.11798	14.9
495.12854	100.0
496.13254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.05508	3.1
56.96541	0.4
57.03411	1.0
57.07054	0.4
61.30457	0.3
65.03927	0.6
67.05502	7.2
69.03394	1.3
69.07076	2.8
69.34747	2.3
69.35181	1.0
71.01335	0.5
71.04975	0.9
79.05492	5.6
81.03410	2.7
81.07053	8.6
83.04984	1.9
83.08624	2.7
85.02880	1.2
85.06516	0.4
91.03909	0.3
91.04981	0.4
91.05481	6.3
92.05792	0.3
93.06487	0.4
93.07038	5.9
95.04971	3.4
95.08598	3.2
97.02860	0.9
97.06514	2.0
97.10142	1.0
99.04460	0.4
103.05460	0.7
105.06381	0.4
105.07026	5.4
107.04961	1.9
107.08591	3.8
109.02866	0.5
109.06487	1.3
109.10147	2.3
111.04408	0.9
111.08043	1.1
115.05445	0.5
117.03367	0.4
117.07010	1.5
117.67789	0.3
119.04894	0.5
119.08578	3.5
121.06488	1.4
121.10136	2.7
123.04388	0.9
123.08032	0.7
123.11669	0.9
125.09601	1.1
127.07478	0.4
129.06973	1.1
131.04948	1.5
131.08592	1.8
131.09375	0.3
132.05684	0.7
133.02852	0.4
133.06447	1.3
133.10117	2.1
135.04387	0.6
135.08011	1.0
135.11682	1.9
136.05144	0.5
137.05963	1.2
137.09613	0.4
140.04665	0.8
141.06982	0.5
142.07710	0.5
143.05655	0.7
143.08566	0.8
145.06439	0.5
145.10095	1.2
146.03575	0.3
147.04372	0.9
147.08022	0.6
147.11661	3.2
149.05969	1.0
149.09555	0.3
149.13260	1.1
151.03900	0.8
151.11160	0.5
153.01820	2.9
153.05437	3.0
153.12735	0.5
155.08511	0.6
157.10101	0.8
159.11694	1.1
160.05168	0.5
161.05943	1.1
161.09677	0.4
161.13165	0.5
163.07460	0.4
163.11163	1.3
165.05542	0.6
165.06984	0.4
165.09091	0.4
165.12749	1.0
166.06247	0.9
167.07047	2.0
168.07819	2.1
171.02888	0.6
173.05992	0.6
173.09616	0.5
175.11179	0.6
177.05496	0.9
177.12712	0.3
178.06209	0.8
179.07085	0.5
179.08553	0.3
180.07817	0.6
181.08609	0.3
181.12219	0.7
183.11562	0.4
185.05800	0.3
187.11183	0.5
187.99048	0.3
189.11337	0.4
191.06979	0.6
191.10661	0.7
192.07732	0.7
193.08620	0.6
193.12187	1.3
195.13792	0.4
196.07314	0.6
197.08031	0.6
203.03366	8.4
207.06505	0.4
209.11674	2.2
209.13434	0.3
210.08862	0.4
211.13219	0.8
219.13751	0.5
227.12775	1.4
229.04935	8.5
241.04871	1.0
242.05768	2.4
253.04996	0.5
257.04443	94.4
258.05164	3.9
265.14316	0.5
267.15863	1.4
267.82840	0.4
269.04459	0.7
269.17331	0.7
270.05222	0.6
271.06024	0.9
283.15479	0.7
285.03876	4.8
286.04724	7.5
287.05472	9.3
297.03894	6.3
299.05502	0.6
311.05457	1.5
323.05490	0.6
327.05048	0.7
333.20422	2.3
339.22943	0.5
341.06610	1.0
357.24362	0.5
359.09427	0.6
367.22678	0.8
375.08859	0.4
385.23782	0.9
403.24924	0.8
419.07495	0.6
421.09039	0.5
433.09067	0.8
445.09119	1.0
447.07007	0.7
449.08786	0.4
459.27313	1.0
463.10300	0.4
465.11853	4.0
477.11700	2.2
477.28284	1.6
494.28439	0.5
495.12851	100.0
495.29321	5.1
496.13153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	14.7
55.05511	59.1
56.96561	7.6
57.03431	17.8
61.02912	8.8
67.05508	100.0
68.05874	7.6
69.03416	9.9
69.07060	24.9
69.80924	42.2
71.04993	9.4
72.08162	12.2
79.05502	60.4
81.03416	21.0
81.07060	86.2
83.04969	8.8
83.08618	29.5
85.02910	10.8
85.06546	7.9
91.03994	9.9
91.05475	59.5
93.07033	55.0
95.04990	12.2
95.08620	30.2
97.06550	13.7
97.10141	45.2
98.20825	10.3
101.65036	7.9
103.05476	23.4
105.07006	37.5
107.04936	6.9
107.08603	32.4
109.06490	14.6
109.10158	31.1
111.04478	10.3
112.56474	7.2
117.07008	45.1
119.08573	38.5
120.08140	18.3
121.10153	28.4
123.11660	9.4
125.09638	25.5
129.07019	13.9
131.08582	33.3
133.01483	6.8
133.06543	13.1
133.10141	15.5
135.08086	15.5
135.11687	7.4
138.87227	6.8
143.08553	13.2
145.06456	12.1
145.10114	14.6
147.11658	13.1
149.13322	10.7
163.11232	9.0
171.11603	11.5
187.14809	18.4
189.11255	17.9
197.13217	18.3
215.14343	45.6
227.12750	37.7
228.95244	7.0
245.13789	7.6
337.07291	7.2
355.07294	8.6
367.22488	18.1
385.23706	17.2
388.98215	7.7
440.10168	9.6
441.26392	63.2
459.27490	99.4
474.94241	8.2
477.28229	19.7
495.29391	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01850	2.8
55.05500	8.0
57.03421	2.3
57.07059	1.5
59.04987	2.2
67.05495	8.8
69.03437	9.3
69.07064	14.6
70.06579	2.2
70.51675	4.0
70.52077	2.7
71.04999	8.5
72.01459	1.5
79.05477	7.3
81.03406	7.1
81.07063	14.0
83.08605	7.2
85.02911	19.0
85.06537	3.4
87.00816	7.2
91.05481	7.9
91.37576	1.8
93.07037	13.8
95.04961	4.6
95.08607	25.9
97.02884	8.5
97.06519	9.4
97.10174	2.9
99.04446	7.4
105.01897	9.4
105.07046	9.6
107.08589	19.4
109.02888	6.9
109.06513	7.2
109.10168	25.6
109.36363	1.8
111.04407	2.7
111.11682	1.7
115.07545	6.1
119.08585	16.6
121.02819	3.0
121.10160	9.1
123.08038	4.8
123.11707	12.9
126.96843	1.7
127.03934	13.0
127.11195	2.8
131.08566	1.6
133.10129	32.5
135.11690	33.5
137.02380	2.0
137.05969	3.1
137.09586	5.9
139.11105	2.5
143.05626	6.3
145.02853	3.4
145.04932	3.8
145.10078	2.1
147.11671	3.4
149.06012	1.7
149.13255	10.7
151.03926	1.6
151.11174	1.9
153.12611	2.6
165.12715	2.7
167.06999	1.5
175.14825	58.6
177.05429	8.7
177.16425	3.7
193.15878	62.0
207.06516	2.9
209.15399	2.3
211.16934	100.0
217.15967	1.7
260.12698	2.6
265.09659	2.2
283.96866	1.9
293.09204	2.0
353.11255	5.0
421.14032	4.2
446.40283	1.7
494.18967	1.9
495.18494	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	494.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05515	0.7
57.03432	1.3
58.99580	0.3
65.03919	0.5
67.05500	0.8
69.03424	0.6
69.07067	0.6
69.62840	2.6
75.04461	0.4
79.05490	4.0
81.03411	0.9
81.07037	1.1
82.07392	0.4
85.06509	0.4
89.03873	0.5
91.05482	6.1
93.07026	1.4
95.04955	1.8
96.28651	0.4
98.21481	0.8
103.05474	5.9
104.06223	0.6
105.07034	10.9
106.94423	0.5
107.04974	1.9
107.08578	0.6
108.05716	0.7
109.02869	1.4
109.06516	1.4
109.10142	0.5
115.05441	1.0
118.04161	12.7
119.04956	5.1
120.05728	1.3
121.06524	2.3
121.08144	0.4
122.06030	0.4
122.07267	1.0
123.04435	0.4
124.05222	5.9
130.04083	0.6
131.04933	2.4
132.05705	1.3
132.34396	0.4
133.02872	0.8
133.06494	19.0
134.07237	1.2
135.04440	1.9
135.08058	3.3
136.08339	0.5
137.05988	5.8
140.04688	0.6
145.10153	0.5
146.03635	1.0
147.04417	6.3
147.08025	0.7
149.00537	0.5
149.06006	0.7
150.06761	7.7
151.07547	3.5
153.01852	1.9
153.05481	0.4
160.05190	0.7
161.05989	4.8
162.03012	0.5
162.06697	0.5
163.03957	0.5
163.07538	1.4
165.09119	12.6
167.07040	1.2
175.07426	0.7
176.04669	0.7
177.05511	1.2
177.07794	0.4
177.09201	0.5
178.00888	0.6
178.06261	1.7
179.07027	3.8
184.05205	0.7
185.05533	0.6
191.07086	1.3
191.82216	0.4
192.07855	0.5
193.03246	5.3
193.08607	100.0
194.08899	1.6
203.03398	1.7
212.04710	1.1
213.05096	0.7
229.04858	1.9
241.04808	0.6
242.05724	2.8
253.05045	0.6
255.06467	1.7
256.06879	1.5
257.04459	16.3
258.03198	0.4
258.05292	4.2
269.04437	1.0
270.05209	0.7
271.05978	1.0
283.05991	1.5
284.06381	1.3
285.03931	2.6
286.04727	8.3
287.05505	5.6
297.03857	1.2
299.05573	0.5
311.05310	0.6
323.12891	2.2
327.05008	0.5
355.15393	1.0
464.14038	0.9
465.11758	0.7
477.11838	4.0
494.15030	3.5
495.12885	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05496	0.8
57.03425	1.2
59.84097	0.3
65.03935	0.6
66.04712	0.4
66.07717	0.4
67.05498	0.6
69.03435	0.4
70.27204	0.7
70.27587	1.1
71.04994	0.5
75.04455	0.4
77.03915	0.4
79.05489	3.7
81.07040	0.9
83.08611	0.5
85.02900	1.0
90.04711	1.0
91.05479	6.0
92.06248	0.4
93.07046	0.8
95.04975	1.5
103.05472	4.8
104.06223	0.8
105.07030	11.9
107.04933	1.5
107.08562	0.5
108.05709	0.4
109.02878	2.1
109.06505	1.3
109.10183	0.4
115.05415	1.1
117.07039	0.5
118.04165	14.2
119.04955	5.5
120.05753	1.9
121.06525	2.3
122.03653	0.4
122.07281	1.6
124.05219	5.6
129.05473	0.5
131.04939	1.0
132.05687	0.7
133.06497	19.7
134.07277	1.4
135.04445	2.3
135.08058	3.5
137.05006	0.5
137.05978	5.4
143.05708	0.5
147.04395	6.6
149.00577	0.8
149.05997	0.8
150.06769	8.1
151.07524	3.3
161.05969	4.1
162.06754	0.8
163.07533	1.0
165.09111	11.8
167.01593	2.0
167.07008	0.4
175.07547	0.6
177.05554	0.5
178.00871	0.7
178.06213	0.6
179.07050	3.0
193.03209	5.0
193.08609	100.0
194.08926	1.2
207.06552	0.4
210.29294	0.4
284.06387	0.4
300.09195	0.4
313.55585	0.4
323.12912	2.3
332.08658	0.4
355.15430	0.5
428.16129	0.4
431.07443	0.4
477.11621	1.2
494.14972	1.1
494.28247	0.5
495.12735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56495	0.3
53.03954	2.7
54.54229	0.4
55.01848	0.8
55.05510	2.8
56.15068	0.3
57.03441	2.8
59.04982	0.7
61.02920	1.0
65.87986	0.3
67.05508	0.7
69.03091	0.6
69.03432	8.6
70.06596	0.5
70.09072	1.8
71.01329	1.0
71.04990	4.9
73.02899	1.3
79.05470	0.5
81.03419	11.0
81.07048	0.6
83.04993	2.5
85.02433	0.5
85.02901	4.8
85.06540	0.8
91.05476	1.0
93.07020	0.6
95.08595	1.2
97.02892	2.1
97.06532	0.3
97.88293	0.3
99.04456	19.8
103.03319	0.6
103.03947	7.0
107.05011	0.3
107.08569	0.7
109.02893	6.7
109.10144	1.5
116.04973	0.5
117.05490	5.1
118.06567	2.8
119.08577	0.6
120.08107	0.6
122.09699	0.4
127.02974	0.5
127.03915	9.6
132.06775	0.4
132.08089	1.5
133.10124	0.7
135.06532	1.4
135.11690	1.4
137.05969	1.0
143.05675	0.9
145.02798	0.4
145.07607	11.9
146.08398	2.4
147.09174	29.1
149.13275	0.5
153.12715	0.7
157.07632	1.5
159.09184	18.3
159.92795	0.4
160.09961	4.0
161.10730	1.3
171.09189	0.6
172.10059	0.6
173.07214	1.1
173.10748	2.4
174.11443	0.5
175.03995	0.4
175.08670	5.0
175.14777	0.9
182.08356	0.5
184.09985	1.4
185.10736	6.1
186.11531	0.7
187.08661	4.4
187.12251	1.8
189.10248	5.4
190.09715	1.7
191.08159	100.0
192.08597	1.8
193.15845	0.5
197.10751	3.5
199.08731	1.8
199.12315	4.9
200.09453	1.8
201.10297	2.1
202.10966	0.4
203.11772	1.0
209.10751	0.6
211.16942	7.7
213.10184	2.2
215.08163	1.6
215.11823	3.9
216.07697	15.9
217.09872	0.4
217.13333	0.6
219.11273	0.5
225.10210	2.9
227.11792	3.6
229.09763	0.5
229.13347	2.9
231.11301	0.8
233.09247	0.9
233.12943	0.7
243.08780	0.9
243.11324	3.4
245.09174	2.4
245.12827	8.0
253.09724	1.5
255.11287	0.4
259.10809	0.8
263.13940	10.4
263.95963	0.4
271.10812	5.2
272.33832	0.4
288.13458	0.5
289.11850	11.0
305.15015	4.2
306.14499	4.8
307.12885	45.6
308.13123	0.6
324.15524	3.0
331.12976	0.5
332.12408	3.6
345.18057	4.7
347.15979	1.0
349.13757	0.6
350.13495	8.8
355.64441	0.4
371.16162	1.0
389.17065	16.3
390.17923	0.5
391.14972	1.7
396.15680	0.6
406.19730	3.8
407.18292	1.4
415.15002	5.7
416.15323	0.5
432.17691	7.8
433.16107	8.0
434.15848	1.4
450.18842	4.3
451.17133	27.2
452.17740	1.0
458.15436	0.4
476.16730	4.7
494.17715	74.0
495.18069	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89825	4.4
53.03938	7.6
55.01867	14.7
55.05510	44.8
56.96535	5.0
57.03427	11.5
57.07064	7.0
61.02892	5.9
65.03925	9.2
67.05500	93.4
69.03427	9.5
69.07068	31.6
71.04981	16.9
71.61312	8.2
75.54343	4.3
79.05489	86.4
81.03410	48.8
81.07054	100.0
83.05011	21.6
83.08609	29.0
85.02884	12.7
85.06531	10.2
91.05485	82.0
93.07034	84.6
95.04968	28.5
95.08613	48.8
97.02863	8.1
97.06536	21.6
97.10177	25.1
99.04503	4.9
105.07033	66.0
107.04951	17.7
107.08595	49.7
109.06516	10.9
109.10164	21.9
111.04424	9.6
111.08075	9.2
117.07023	31.3
119.08581	49.9
121.06485	14.5
121.10128	28.8
123.04388	5.7
123.08054	18.1
123.11748	6.4
125.09616	18.7
128.06241	5.3
129.06987	27.0
131.08548	49.3
133.06480	9.4
133.10139	35.0
135.08067	9.9
135.11684	18.7
137.09666	8.0
141.06973	11.4
142.07794	5.7
143.08533	24.7
145.06462	6.3
145.10127	33.5
147.08078	10.9
147.11699	22.4
149.05972	5.0
149.09616	15.2
149.13252	7.2
153.09062	6.8
155.08583	9.5
157.10132	18.1
159.08099	8.4
159.11684	21.1
161.09644	9.8
163.11157	11.8
169.10184	6.0
171.11693	12.8
175.11186	12.3
177.12723	4.6
181.10143	7.1
181.12227	7.7
183.11578	6.2
189.09142	6.0
189.11174	9.2
191.10744	7.4
193.12227	34.3
194.09410	4.8
195.11613	4.9
203.14326	8.0
211.13206	9.9
217.15880	6.6
221.15288	7.1
225.14850	7.8
227.12766	24.7
245.25018	4.3
267.09116	4.9
267.15799	9.7
269.10428	8.1
283.15414	9.8
285.10214	5.8
326.73065	4.5
333.21988	6.8
341.24640	6.5
349.16745	5.9
351.23151	21.7
369.24295	24.5
387.25290	14.2
401.22562	6.0
405.26184	7.5
419.27814	6.3
435.27203	12.3
437.28918	14.5
443.28021	17.8
450.94415	5.1
461.29105	38.2
464.08209	4.5
475.26883	9.1
488.05396	5.1
493.31326	62.6
513.69794	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	493.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.4
53.03944	11.3
55.01877	17.1
55.05264	4.0
55.05510	44.7
56.96551	4.7
57.03438	16.8
57.07071	2.2
57.54802	2.1
59.04996	3.6
61.02899	2.9
65.03931	6.5
67.05503	86.8
69.03441	14.2
69.07068	26.6
69.43081	17.6
71.01333	3.1
71.05003	12.7
71.14452	2.0
73.02922	4.4
75.38384	2.0
79.01862	2.0
79.05495	78.9
81.03418	83.9
81.07058	84.0
83.04985	32.1
83.08149	3.2
83.08619	42.1
85.02905	19.0
85.06526	7.1
91.05485	76.3
93.03384	2.4
93.07041	79.7
95.04965	50.7
95.08610	54.5
97.02874	15.0
97.06528	15.8
97.10181	16.9
99.04449	7.3
99.08080	3.2
101.02345	2.6
103.05460	4.4
105.03382	2.2
105.07030	51.8
107.04946	33.1
107.08598	54.6
109.02863	8.6
109.06544	13.9
109.10164	29.5
111.04466	15.7
111.08078	14.7
113.06014	3.5
115.05418	5.0
117.05573	1.8
117.07037	25.3
119.04945	6.2
119.08578	42.0
121.02858	8.6
121.06501	14.8
121.10148	32.4
123.04433	8.1
123.08060	9.7
123.11697	5.1
125.05969	5.6
125.09632	16.1
127.03889	4.2
128.06221	2.6
129.05464	3.9
129.07013	23.8
130.07773	4.4
131.04950	4.9
131.08572	24.2
133.06482	9.6
133.10139	23.0
135.04402	7.7
135.08011	7.9
135.11693	42.6
137.05959	7.1
137.09616	5.8
139.07532	3.3
141.07018	4.4
142.07753	5.2
143.05707	4.0
143.08566	8.2
145.06479	5.0
145.10118	41.0
147.04425	5.8
147.08041	7.9
147.11682	17.5
149.05981	4.8
149.09612	9.7
149.13240	6.2
151.07558	2.7
151.11156	3.5
153.09128	4.1
153.12767	14.2
155.08551	8.0
157.10123	15.7
159.07971	4.8
159.11725	7.9
161.06006	2.6
161.09624	5.4
161.13316	3.0
163.07556	3.4
163.09842	4.3
163.11189	63.7
165.09100	5.6
165.12733	4.1
167.07091	5.1
169.10144	6.7
171.07979	3.2
171.11655	6.4
173.09599	7.6
173.11781	4.0
173.13229	2.8
175.11200	16.8
175.14789	2.2
177.05444	4.0
179.07077	2.4
179.10631	3.8
181.12218	19.4
183.11720	4.2
185.13298	3.5
189.09077	2.1
189.11140	6.5
189.12671	2.6
191.10667	7.0
193.12239	48.5
197.09608	2.4
197.13313	4.2
199.11218	2.6
201.12740	5.8
205.12332	3.6
207.06575	4.7
207.13747	3.0
209.11644	12.0
211.11281	2.2
211.13249	47.3
212.04773	3.0
213.12856	2.4
219.13858	4.4
227.12781	100.0
229.12222	3.5
229.14357	6.5
231.13809	5.9
247.13335	20.3
249.14973	10.8
255.06528	9.7
265.14371	5.2
267.15933	20.6
283.06088	5.1
283.15387	15.0
321.16885	6.4
337.21619	2.8
355.22537	5.4
365.21243	4.0
383.21985	12.4
401.22961	11.5
419.24222	6.1
457.25922	5.0
475.14191	3.6
475.26761	31.1
493.14951	7.3
493.27863	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2806
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.05511	4.2
57.05825	0.3
64.96643	0.3
67.05496	0.8
67.86379	0.3
69.07056	0.3
70.45107	0.6
72.08154	46.2
79.05485	0.8
79.12452	0.3
79.97938	0.3
81.03414	0.3
81.07054	1.0
83.08631	0.3
91.05486	1.1
93.07037	1.4
95.04947	0.3
95.08584	0.4
97.06590	0.3
97.10151	0.3
98.20782	0.3
100.07643	0.4
103.05454	2.7
105.07018	0.8
107.08587	0.6
109.10184	0.4
112.36844	0.3
116.43150	0.3
117.07015	0.3
119.08626	0.3
120.08102	100.0
121.08435	0.8
126.12789	0.4
130.06496	0.3
131.08537	0.4
149.13228	0.4
149.66176	0.2
171.14926	7.2
174.12794	3.0
188.91028	0.3
191.77742	0.3
193.12073	0.3
199.14432	6.5
213.24945	0.2
219.14919	17.3
222.12767	0.8
229.13374	0.3
247.14424	20.2
248.14771	0.3
267.12097	0.5
267.14908	8.4
273.19604	1.2
295.14407	14.2
301.19165	2.9
321.19476	1.2
328.20047	0.4
346.21240	5.8
349.19177	1.9
366.21402	0.3
394.21289	5.2
448.25714	0.9
465.28741	0.6
493.27841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01855	1.3
55.05507	3.6
56.96555	0.5
57.03407	1.2
58.73487	0.5
65.03917	0.9
66.12679	0.5
67.05508	7.0
68.99765	0.7
69.03425	2.3
69.07066	2.4
70.04991	1.7
70.05410	1.0
71.04954	1.2
78.04660	0.5
79.05489	5.5
81.03418	2.8
81.07050	6.9
82.63869	0.5
83.04951	2.2
83.08575	1.7
85.02868	1.8
85.06525	1.2
86.09684	1.0
91.05485	6.4
93.03369	0.6
93.07040	5.7
94.07290	0.6
95.04980	5.4
95.08597	4.3
97.02861	1.1
97.06509	0.8
97.10130	1.6
99.04414	0.9
99.08066	0.7
103.05453	1.1
105.07028	5.1
106.04151	0.6
107.04955	3.3
107.08585	4.3
109.02839	1.7
109.06489	1.7
109.10144	3.9
111.04398	1.5
111.08032	1.7
117.07014	1.5
119.04903	1.5
119.08569	2.7
120.08131	0.8
121.06492	2.1
121.10149	3.3
123.04386	1.9
123.08018	0.7
123.11689	1.0
125.05978	1.3
125.09668	2.3
127.03903	1.2
128.06223	1.4
129.06989	1.3
131.04893	1.7
131.08533	2.2
132.05611	0.7
133.06462	1.5
133.10133	2.7
134.03603	1.8
135.04344	1.0
135.08011	1.4
135.11662	1.8
137.05975	4.2
137.09566	0.8
139.07515	0.9
139.11203	0.8
143.05615	2.6
143.08557	1.0
145.02747	1.1
145.06448	1.3
145.10066	1.9
147.04419	2.4
147.11667	1.4
148.05185	0.7
149.05948	2.2
149.09570	1.6
149.13271	0.8
151.03899	1.2
151.07549	2.3
151.11147	0.8
153.05463	0.6
153.06932	1.3
155.08505	0.6
156.05656	0.9
157.06546	0.8
157.10143	1.0
159.11626	1.0
160.05154	2.4
161.05984	1.2
161.09674	0.7
163.07410	0.6
163.11153	1.3
165.05495	1.0
165.06963	0.7
165.09091	1.9
167.07050	9.6
170.03535	1.2
171.04407	0.8
171.08044	0.5
173.05853	0.5
173.09573	0.9
175.03929	0.8
175.07545	0.5
175.11119	0.9
177.05487	3.5
179.06972	1.0
180.07764	0.6
181.06444	1.4
182.09412	1.0
183.07994	0.8
184.05191	35.0
185.05923	1.9
187.03902	0.6
187.11076	0.7
189.12724	0.6
191.07040	0.7
193.08580	1.9
193.12257	1.3
196.05161	2.3
197.05952	0.9
197.13211	0.6
199.07524	1.2
200.04683	2.2
205.12183	0.6
207.06538	0.7
209.06027	1.2
209.08055	2.5
209.11710	1.3
210.06810	3.8
211.03928	3.5
211.07674	0.5
211.13214	0.6
212.04683	44.4
213.05406	6.2
221.06023	0.9
222.06604	0.6
223.13380	0.6
224.04613	1.4
225.05457	0.5
226.05911	0.6
227.06966	0.8
227.12747	1.0
228.04128	0.6
235.13147	0.7
237.02766	0.7
237.05328	1.0
238.06212	8.5
239.06989	3.2
239.09119	0.8
240.04178	12.7
241.04689	0.6
247.13226	1.0
249.14830	1.0
251.06934	1.0
253.04913	1.1
254.05777	0.8
255.06516	90.8
256.06909	1.4
265.04977	0.5
266.05615	2.9
267.06525	10.4
268.07336	1.8
269.04407	1.6
269.08014	1.1
270.05209	2.2
281.08099	1.1
283.06015	62.2
284.06699	4.1
285.07498	0.8
297.07629	1.1
331.08075	1.8
343.10281	0.6
355.22772	0.7
365.20935	0.7
383.22351	1.4
401.23444	1.9
417.09628	0.8
419.23969	0.6
431.11560	0.9
442.10651	0.9
445.09122	1.0
447.14432	0.6
463.13898	19.3
475.14069	6.1
475.27051	2.6
477.15109	1.2
493.14938	100.0
493.27505	4.3
494.15219	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01839	2.1
55.05515	7.0
56.96542	1.2
57.03403	1.7
57.80426	0.6
61.02901	1.0
62.05234	0.5
65.03934	0.6
67.05506	11.2
68.05827	0.7
69.03403	1.6
69.07075	4.4
71.04965	2.3
79.05495	10.5
81.03409	5.2
81.07054	13.0
83.01266	0.7
83.04982	3.1
83.08629	3.9
85.02867	2.0
85.06509	1.1
91.04921	0.6
91.05486	12.1
93.07043	10.7
95.01337	1.0
95.04976	7.3
95.08620	5.7
96.05238	0.6
97.02860	1.5
97.06487	1.8
97.10133	1.8
98.21510	1.6
98.98413	0.9
99.08052	1.0
103.05460	4.8
105.06401	0.9
105.07035	12.6
107.04962	4.3
107.08600	6.4
109.02833	0.9
109.06485	2.8
109.10149	3.3
109.71634	0.6
111.04423	0.9
111.08069	1.8
115.05432	0.8
117.07037	3.4
118.04149	3.1
119.04890	1.1
119.08589	6.2
121.02894	0.7
121.06521	5.2
121.10152	4.2
123.00777	3.5
123.04369	1.7
123.08031	1.1
123.11680	2.0
125.05995	0.8
125.09615	1.5
128.06180	2.0
129.06972	2.7
130.04111	1.7
131.04910	3.2
131.08560	4.8
132.05676	0.8
133.06485	3.9
133.10121	4.1
135.04390	1.7
135.08041	1.3
135.11711	3.6
137.05968	1.5
137.09605	0.8
139.11137	0.7
141.06963	1.2
142.07776	0.9
143.08536	2.3
145.06445	1.6
145.10144	4.3
146.03598	0.6
147.04434	0.9
147.08084	1.4
147.11693	3.5
149.05978	2.2
149.09587	1.5
149.13269	1.3
152.00999	1.3
155.08453	1.3
157.10165	1.4
158.03661	0.7
159.07993	1.2
159.11691	1.5
161.05962	3.9
161.09671	0.9
163.11189	4.7
165.12686	0.8
167.03394	0.9
167.07016	1.0
168.05609	0.9
169.10077	0.9
170.02095	1.2
171.08049	10.9
171.11681	1.2
173.05989	1.1
173.09624	0.9
175.11151	1.8
176.04686	2.0
177.05472	2.5
181.12219	1.3
183.08043	1.9
183.11665	0.7
184.05244	1.7
185.13287	1.2
189.11212	0.7
191.07042	5.1
191.10593	1.3
193.08626	1.7
193.12238	3.1
196.05133	0.7
205.12346	0.9
209.05966	3.6
209.11562	1.1
211.07544	1.5
211.13254	1.1
212.04706	1.6
213.12895	0.8
223.03918	0.8
225.05492	0.9
225.11458	0.7
227.12784	5.0
229.08630	2.0
239.03441	0.9
239.07123	0.9
240.04176	1.7
240.07802	2.6
248.83299	0.7
249.14859	0.8
253.04961	1.1
255.06522	100.0
256.07056	1.5
265.14413	0.6
267.06537	0.9
267.15924	2.7
269.08255	0.6
270.05209	0.8
283.06021	39.2
284.06775	9.3
284.12546	0.7
285.07559	18.7
296.06830	0.7
298.08429	0.6
321.26181	2.1
339.08551	4.8
351.23318	0.8
355.22806	0.9
365.21161	0.8
369.23926	1.6
383.21927	1.2
387.24771	0.9
401.22934	1.4
461.28723	1.9
463.13724	5.8
475.13876	38.7
475.25974	1.4
492.30618	1.2
492.40341	0.9
493.14966	49.5
493.26822	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	493.1341
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.55691	0.3
54.67653	0.2
55.01889	0.2
57.03431	0.3
61.02922	0.4
65.95519	0.3
69.03423	1.9
71.10457	0.8
74.72396	0.3
81.03409	0.6
85.02903	3.9
86.09754	0.3
87.04487	0.3
91.05470	0.6
97.02905	1.3
103.19576	0.2
105.06981	0.3
107.08550	0.3
108.02078	0.4
109.02888	0.6
127.03917	0.8
131.04959	0.4
134.03627	0.3
135.04396	0.3
136.01547	1.0
137.05876	0.2
139.00278	0.3
143.05658	0.7
145.04880	0.5
153.01823	0.8
154.02597	1.7
168.00531	0.3
175.03918	0.4
182.02106	3.2
183.02899	1.3
186.01707	0.3
186.06776	0.6
199.02385	0.5
200.03148	2.7
200.04666	0.4
214.06337	0.5
215.07082	0.3
217.05003	0.3
242.05681	1.6
243.06558	0.6
245.04385	2.4
256.03836	0.6
259.05991	1.6
260.06726	1.4
270.05203	2.8
271.05911	1.9
273.03925	3.6
284.03134	0.5
287.05606	1.0
288.06348	0.4
298.04724	1.8
299.05493	2.2
301.03455	4.0
315.04953	1.3
316.05774	21.1
317.06534	0.4
331.08121	100.0
332.08466	2.1
381.86011	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
61.02919	0.3
67.05499	0.3
68.99794	0.2
69.03431	0.8
70.06594	0.5
71.04984	0.3
71.12908	0.4
77.60104	0.2
79.05484	0.3
81.03432	0.4
81.07050	0.4
83.04997	0.4
84.08150	0.3
85.02893	1.6
86.09700	0.3
90.21826	0.2
91.05489	0.4
93.07062	0.2
95.04972	0.3
97.02884	0.5
97.06533	0.2
107.04901	0.2
107.08594	0.4
109.02884	0.5
109.06441	0.2
111.04440	0.5
121.10162	0.4
123.00779	0.5
123.04444	0.4
124.07594	0.2
125.09768	0.2
127.03912	0.3
133.02870	0.3
135.04401	0.5
136.07576	0.3
137.05946	0.7
139.03847	0.5
143.05644	0.9
145.10048	0.2
149.02211	0.3
149.14938	0.2
150.02022	0.4
150.03136	4.2
151.07642	0.3
153.01836	0.4
154.05042	1.2
164.04828	0.2
167.03407	9.9
167.06946	0.3
168.03737	0.3
179.03412	0.3
182.02229	0.3
183.02925	0.2
183.04407	0.4
184.03691	1.7
186.06844	0.3
191.03357	1.6
197.06007	0.4
200.03117	0.3
200.04788	0.5
207.06392	0.3
211.03886	0.3
214.06326	0.6
217.04999	0.3
227.07043	0.6
228.04225	1.3
231.06549	0.7
239.03452	0.2
241.05016	0.3
242.05775	3.5
243.06540	2.8
245.04468	0.4
249.11249	0.2
254.05801	0.7
256.03564	0.5
257.08154	0.6
259.05945	0.4
270.05255	2.3
271.06039	3.5
271.10648	0.3
272.06622	0.3
275.09155	1.0
282.05353	1.3
283.06076	0.5
284.03244	0.6
285.07568	2.8
288.06219	0.3
294.44922	0.3
298.04684	0.7
299.05444	2.9
313.07028	2.9
316.05795	8.5
331.08133	100.0
332.08469	2.1
337.31125	0.2
412.16360	0.3
493.13037	6.2
493.25937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.134
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
53.03969	0.3
55.01869	0.3
55.05507	0.4
55.92952	0.3
56.96532	0.3
57.03430	0.9
60.49609	0.3
63.80812	0.4
69.03419	1.0
70.06573	0.6
71.04980	0.4
71.59709	0.6
81.03409	0.7
83.04968	0.4
84.08140	0.5
85.02899	1.5
86.09702	0.5
91.05484	0.7
95.04958	0.3
97.02885	0.6
99.04473	0.3
105.03452	0.3
105.07070	0.3
105.35533	0.3
107.04939	0.4
111.04449	1.1
114.88924	0.3
117.58286	0.3
123.04388	0.5
127.03938	0.6
135.04451	1.6
136.07625	0.5
137.05988	0.8
139.03909	0.9
143.05669	3.7
147.04399	0.4
150.03116	1.5
151.03944	0.8
161.05986	0.6
162.03081	0.3
163.03880	0.4
164.04701	0.5
167.03416	9.2
174.36761	0.3
175.03894	0.4
177.05487	1.0
179.03381	1.0
184.03694	1.3
184.05229	0.4
191.03378	3.0
193.04909	0.7
200.04684	1.8
201.05751	0.3
205.05016	0.4
207.06593	0.5
211.03947	0.7
212.04796	0.5
214.06262	0.6
215.07085	0.4
217.05023	2.2
218.05740	1.3
219.06477	2.4
223.06139	0.5
227.16409	0.3
228.04146	3.2
231.06525	0.5
239.03366	0.3
242.05742	1.2
243.06543	6.8
245.04460	1.1
246.05257	0.4
247.06068	0.8
256.03601	1.5
257.08014	0.4
259.05875	0.3
270.05173	0.9
271.06024	8.7
275.09103	0.7
283.02469	0.3
284.03122	2.6
285.07629	1.3
287.05914	0.4
298.04657	1.6
299.05505	8.0
303.08621	0.4
313.07010	2.0
316.05759	4.5
331.08127	100.0
332.08603	2.1
493.17084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1341
Annotation	Quercetin 3,7-dimethyl ether 4'-glucoside
Peak:m/z	Relative Intensity
50.27734	0.2
53.03927	0.3
57.03442	1.3
57.47295	0.3
68.99783	0.5
69.03409	0.8
69.88795	0.4
69.89197	1.2
70.06588	0.3
71.04971	0.4
81.03431	0.4
83.04992	0.3
85.02898	2.3
86.60866	0.3
91.05471	0.3
97.02870	0.7
111.04443	1.3
121.02837	0.5
123.04381	0.3
127.03883	0.3
129.10292	0.3
135.04413	1.2
139.03925	1.4
143.05663	0.4
148.05202	0.3
149.02341	0.4
150.03134	1.3
151.03906	1.0
152.01109	0.4
163.03905	0.4
164.04645	0.9
167.03406	10.4
171.04419	0.3
175.04068	0.3
177.05450	1.0
179.03419	0.8
183.04420	0.4
184.03680	1.1
187.07623	0.3
191.03391	3.3
193.04919	0.4
194.02054	0.5
197.82457	0.3
199.03850	0.3
200.04736	1.2
201.05304	0.3
205.04971	0.8
212.04736	0.5
215.06976	0.6
217.04982	1.5
218.05824	1.2
219.06575	2.1
228.04175	3.4
229.04912	0.5
231.02704	0.4
239.03456	0.6
242.05765	1.4
243.06534	8.2
245.04416	0.9
247.05994	0.9
255.06512	0.4
256.03760	1.8
257.08035	0.9
268.03717	0.4
270.05231	1.0
271.06006	9.5
272.06717	0.5
273.04178	0.4
275.09137	0.7
284.03146	2.8
285.07654	1.3
288.06522	0.6
295.05789	0.4
298.04749	1.3
299.05511	8.6
300.05890	0.3
313.03604	0.4
313.07043	1.2
316.05750	5.1
331.08121	100.0
332.08423	1.8
333.07544	0.3
365.14365	0.3
391.08386	0.4
391.97125	0.3
457.09085	0.3
475.10117	1.1
493.11472	1.5
493.18069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.5
55.01860	8.3
55.05516	9.0
57.03423	10.0
57.07044	2.8
58.06577	2.9
59.04997	2.6
60.04507	5.6
61.02914	6.3
65.03999	2.3
67.05492	10.0
68.99792	3.7
69.03426	40.6
69.07052	8.3
70.06583	8.5
71.04987	12.1
71.17097	4.5
72.08150	2.8
73.02905	7.5
79.05476	6.5
81.02988	2.6
81.03427	28.7
81.07072	11.5
83.04971	6.5
83.08620	6.7
84.08131	3.9
85.02903	80.9
85.06548	3.1
86.09710	16.8
87.00830	32.4
87.04472	3.1
89.06013	3.6
90.11519	2.4
91.03964	2.2
91.05454	11.3
92.11396	2.4
93.07033	15.5
95.04988	13.1
95.08601	16.4
97.02880	34.3
97.06529	12.3
99.04445	14.7
103.05461	3.4
105.01861	42.4
105.07012	20.0
107.04953	3.6
107.08599	24.2
109.02869	28.7
109.06537	12.8
109.10139	13.2
110.07124	4.0
111.04401	2.8
111.08086	3.4
112.04001	2.3
117.01862	2.5
117.07034	2.7
119.04910	5.2
119.08588	10.4
120.08111	5.6
121.06506	4.2
121.10147	83.7
121.11036	4.2
122.06065	3.3
123.08057	9.7
123.11702	5.9
125.09596	5.1
127.03920	55.2
129.01811	3.5
131.04854	2.8
131.08563	8.9
133.10144	21.7
135.08051	4.7
135.11703	8.5
136.07549	5.5
137.05960	8.4
137.09615	7.2
138.05487	5.6
139.11147	5.0
140.07063	2.6
143.05644	39.0
145.04958	14.6
145.10133	4.2
147.04457	4.2
147.11671	19.4
149.09610	6.5
149.13271	8.1
151.07620	3.4
151.11189	9.5
153.09077	7.2
154.02553	3.8
159.02907	10.4
163.03879	2.9
163.14806	7.3
165.12691	5.5
167.07039	8.2
167.10779	3.5
169.12244	4.2
173.13271	21.0
175.03943	2.8
177.05495	4.5
183.19080	3.0
190.13353	2.7
191.14320	46.8
200.03244	2.5
207.13739	2.6
208.14305	7.6
209.15367	57.2
213.03900	5.3
221.34590	2.7
224.25972	2.3
227.16425	100.0
231.05026	12.4
249.06007	3.7
259.06223	2.9
271.06076	2.9
287.05432	6.7
288.05814	5.2
295.06113	2.8
296.06451	6.0
308.06381	2.7
316.05728	15.7
325.07098	4.4
326.07449	7.8
331.08105	89.6
349.14975	3.1
354.06854	3.3
389.78870	2.9
410.09372	3.1
439.19559	5.4
456.09918	3.6
492.17413	4.6
492.31161	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	492.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.9
55.01865	4.0
55.05510	2.5
56.48434	1.6
57.03419	2.2
62.84336	1.9
65.73531	1.9
67.05489	3.0
69.03444	8.9
69.07073	4.1
70.06591	7.1
71.04987	9.6
71.60109	2.7
79.05481	12.1
81.03414	3.0
81.07049	2.9
84.08152	3.0
85.02911	6.6
86.09710	5.4
87.04475	2.0
89.06014	4.3
91.05473	11.0
93.05722	1.7
93.07049	10.9
95.04996	5.4
97.02901	4.2
97.06599	1.9
99.04493	2.0
105.07024	7.2
107.04970	5.5
107.08606	17.2
109.02899	3.6
109.06485	2.5
109.07639	4.3
115.03910	2.5
116.07056	2.4
117.03465	3.6
117.07051	1.8
119.04964	3.3
119.08576	3.2
120.08179	2.0
121.02886	4.6
121.06503	12.4
121.10159	8.8
129.07057	2.0
130.07823	2.3
131.07588	4.0
131.08574	63.8
135.04407	1.9
135.08087	3.1
136.07549	2.0
143.05670	7.6
145.02890	8.6
145.10138	14.1
147.04398	3.6
149.05917	1.9
149.09636	26.3
151.03902	2.4
153.05505	5.6
154.47665	1.7
163.11186	10.2
165.09120	2.4
167.07018	3.1
173.09660	2.5
175.03914	3.4
177.05470	28.7
191.10674	18.4
191.14365	4.2
203.39618	1.8
207.06512	12.8
209.11732	100.0
218.14262	1.8
245.04234	5.2
300.14468	1.8
301.97202	1.7
306.19467	1.9
315.13330	2.3
316.05737	2.3
316.13953	1.9
317.14377	4.8
331.08133	5.7
339.10776	3.7
361.07199	3.3
379.16409	1.8
449.10483	7.2
455.98904	1.9
492.16751	8.6
492.23434	3.9
493.10440	9.6
493.17816	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01876	7.4
55.05516	30.6
56.99115	2.8
57.03426	6.5
57.07075	12.0
59.58822	2.9
65.03933	3.8
67.05508	45.7
67.47687	2.7
69.03433	13.4
69.06721	5.6
69.07066	53.4
70.06552	3.9
71.05004	6.8
71.08645	4.0
71.59861	3.0
77.38499	3.1
79.05499	29.5
81.03418	12.6
81.07058	100.0
83.04980	4.6
83.08627	28.9
85.02901	22.7
85.06541	11.5
91.05481	23.9
92.03643	2.8
93.07046	36.6
95.04977	15.6
95.08611	99.4
97.02893	7.5
97.06534	8.3
97.10165	18.3
99.04454	5.2
99.08108	9.9
103.05488	4.7
105.07020	17.1
107.04958	9.5
107.08592	30.4
109.02883	10.7
109.06530	10.0
109.10166	70.8
109.10929	3.9
111.08140	6.2
111.11723	16.0
117.07005	5.4
117.19653	3.0
119.04946	6.3
119.08584	12.7
121.06534	7.3
121.10137	21.7
123.04479	4.5
123.11737	27.6
125.09654	6.6
125.13302	8.9
127.03915	6.8
129.06931	4.3
131.08609	7.5
133.10132	9.7
135.08066	6.4
135.11736	11.4
137.05977	8.4
137.09662	3.9
137.13271	19.3
143.05652	11.7
143.08575	6.4
145.06502	6.3
145.10118	8.8
147.04459	4.4
149.09718	4.8
149.13257	20.3
151.07494	3.7
151.14790	16.4
157.10114	5.5
159.11667	4.9
161.09607	6.9
161.13417	4.6
163.11217	8.0
163.14818	8.5
165.16426	7.5
167.07074	7.1
169.10199	3.3
173.13310	4.7
177.09142	4.3
177.16432	5.4
179.17966	5.8
179.85608	3.5
185.09593	3.1
191.14398	3.0
207.06529	5.6
219.13748	3.9
221.11539	3.8
227.12697	8.0
228.07268	3.5
240.57185	3.4
251.11952	3.8
275.27457	6.0
286.70627	3.4
293.28363	18.8
311.29419	8.7
367.22739	7.0
385.23712	6.9
455.29260	3.7
459.27307	12.3
491.25467	5.9
491.30142	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	491.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01876	0.6
55.05510	8.1
57.03437	3.1
57.07062	1.1
65.03927	0.9
67.05502	10.0
68.92570	0.3
69.07069	9.6
70.24500	1.5
71.04977	1.1
71.08607	0.4
76.75763	0.3
79.05489	5.1
81.07053	13.0
83.04985	0.6
83.08619	6.3
85.06528	0.8
89.70687	0.3
91.05482	12.8
93.07044	5.3
95.04958	0.9
95.08607	12.1
97.06548	1.8
97.10175	5.7
99.08076	0.7
105.07036	2.7
105.08119	0.3
107.08590	3.3
109.06468	0.5
109.10146	5.6
109.10838	0.6
111.08083	1.1
111.11688	1.6
113.09624	0.6
117.06998	0.5
119.04942	25.3
119.08600	2.5
121.10140	4.4
122.12566	0.3
123.04453	0.6
123.08105	0.4
123.11710	2.0
125.09636	0.7
125.13226	0.4
127.07555	0.3
131.08595	0.4
133.10129	2.6
135.11691	4.8
137.09641	0.7
137.13235	1.1
139.11154	1.2
143.10620	0.3
147.04407	100.0
147.11688	2.2
148.04745	0.6
149.13277	0.7
151.11206	0.7
151.14789	0.6
153.12770	0.8
161.13263	2.0
163.14769	0.3
165.05476	9.2
165.12779	0.7
175.14818	0.8
179.14297	0.6
185.05894	0.4
193.19510	0.7
217.19543	3.2
221.08049	0.6
235.20580	4.7
253.21629	1.4
287.05307	0.6
291.23059	0.3
309.24237	2.2
327.25290	17.6
473.28690	0.3
491.29984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.3
53.03941	0.5
55.01861	0.6
55.05510	6.6
57.03183	0.3
57.03439	2.9
57.07079	1.1
57.07306	0.2
65.03931	1.6
65.93086	0.2
67.05507	8.0
69.07068	7.5
69.43504	2.0
71.04984	0.7
79.05502	3.2
81.07058	10.2
83.04978	0.5
83.08620	4.5
85.06517	0.7
85.10102	0.2
91.05481	8.7
93.07043	3.7
94.07172	0.2
95.04975	0.5
95.08609	8.9
97.06513	1.2
97.10169	3.8
99.08038	0.4
105.07040	1.9
107.08590	2.1
109.06512	0.4
109.10155	3.7
111.08089	0.6
111.11687	1.2
119.04941	20.3
119.08595	2.0
121.10146	2.9
121.10932	0.3
123.04462	0.5
123.08056	0.6
123.11716	1.5
125.09647	0.6
125.13229	0.3
129.05476	0.4
131.08708	0.2
133.10130	1.9
135.11690	2.6
137.09616	0.5
137.13301	0.7
139.11162	0.6
147.04410	100.0
147.11685	1.2
148.04729	0.4
149.13261	1.0
151.11182	0.4
151.14796	0.3
153.12730	0.7
161.13242	1.0
164.83173	0.2
165.05469	13.7
165.12704	0.4
175.14742	0.5
179.14371	0.5
193.19650	0.4
217.19540	2.3
221.08086	1.2
235.20578	2.7
249.35838	0.2
253.21733	0.7
309.24243	2.5
327.25293	16.2
453.69751	0.2
473.28912	0.9
491.30313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03945	5.7
55.01873	9.4
55.05515	49.2
56.96563	4.2
57.03434	13.7
59.34365	3.2
67.05507	65.7
67.58374	3.4
69.03422	7.4
69.07074	18.9
69.29857	8.6
69.30259	32.5
71.04987	10.7
79.05492	61.8
81.03421	45.7
81.07060	75.6
83.04972	13.2
83.08630	33.0
85.02877	4.9
87.81397	3.2
91.05483	100.0
93.07047	61.2
95.04964	32.6
95.08621	33.0
97.06520	6.1
97.10177	25.5
103.05482	4.1
105.06392	5.4
105.07039	57.7
107.04942	15.6
107.08598	32.4
109.06500	12.5
109.10124	14.5
109.70632	3.5
111.08054	9.3
117.07024	36.2
119.04938	7.6
119.08586	39.4
121.06505	11.4
121.10139	14.5
123.08065	8.2
123.11700	22.4
125.09635	16.6
128.06223	7.7
129.06990	20.7
131.04962	4.3
131.08559	32.3
133.06471	8.3
133.10147	24.4
135.08032	7.1
135.11688	6.5
141.07021	8.3
143.08549	15.5
145.06470	10.2
145.10141	24.0
147.04434	4.3
147.08044	10.5
147.11674	25.4
149.09579	9.8
151.11101	5.8
155.08516	10.2
157.06517	4.6
157.10207	9.2
159.11659	9.0
161.09775	5.9
161.13292	6.2
163.11188	7.9
167.08611	5.0
169.10136	5.4
171.08083	5.4
171.11699	19.8
173.13148	5.9
175.04024	3.8
175.11217	6.1
181.10066	4.0
183.11873	3.9
184.48944	3.7
185.13220	9.8
187.13260	9.7
189.11197	6.6
189.12753	9.2
193.12280	11.7
199.11226	4.8
207.11966	4.1
207.13820	15.4
227.12787	14.0
231.13695	8.5
243.15767	10.4
247.16826	9.5
249.14923	19.0
267.15942	33.8
277.17798	3.9
281.17490	30.7
287.05667	6.9
305.17624	8.6
363.23239	10.0
381.24222	12.3
385.23315	4.5
399.25232	15.9
455.27753	6.9
459.27042	5.3
473.29169	74.5
491.30228	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	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03944	6.2
55.01875	9.7
55.05506	32.2
57.03433	4.5
65.03938	4.5
67.05506	54.7
67.11094	2.2
69.03432	8.8
69.07073	20.1
71.04991	15.9
77.03963	2.1
79.05493	60.0
81.03413	14.6
81.07057	61.6
81.80441	2.0
83.04992	11.9
83.08611	17.0
83.24677	1.9
83.68646	2.1
85.02903	5.6
85.06541	9.6
87.04460	2.6
91.04990	1.4
91.05477	42.0
93.07043	61.4
95.04969	31.1
95.08614	27.8
97.02892	3.6
97.06519	10.4
97.10166	19.5
103.05501	4.4
105.07033	33.9
107.04955	55.9
107.08595	29.9
109.02888	4.8
109.06514	26.9
109.10166	21.5
111.04459	2.1
111.08087	5.4
115.05437	2.3
115.68667	2.1
117.07002	17.1
119.04935	3.7
119.08570	21.6
121.06508	39.3
121.10138	28.6
123.04474	4.4
123.08089	7.2
123.11736	7.7
125.06020	3.0
125.09619	15.5
127.03915	3.4
129.07005	12.6
130.07822	1.9
131.04926	5.5
131.08569	32.1
133.06497	6.9
133.10126	12.7
135.04451	2.1
135.08069	14.1
135.11705	4.7
137.05994	5.3
137.09631	4.4
139.11220	2.7
141.06982	5.7
142.07721	2.0
143.05664	3.4
143.08574	9.0
145.06468	12.2
145.10135	14.5
147.08069	10.2
147.11708	7.6
149.05995	3.1
149.09598	11.2
153.09076	4.1
155.08583	9.3
157.10170	7.0
159.08083	8.2
159.11697	5.2
161.06033	4.6
161.09662	4.8
163.07600	2.5
163.11227	7.7
167.10707	7.0
169.10124	4.9
171.08047	2.5
171.11725	5.8
173.09648	4.8
173.13249	9.5
175.07582	6.1
175.11140	4.0
181.10194	3.0
183.11703	4.9
185.09680	3.8
185.13300	5.9
187.11194	3.8
187.14810	2.4
189.11226	10.2
189.12827	5.1
191.14343	7.2
193.12326	4.7
195.11771	3.5
197.13266	4.8
199.11298	4.2
199.13295	7.6
201.12787	3.0
209.13327	3.7
211.11288	2.7
213.12714	2.4
215.14378	4.9
217.12057	2.8
219.13773	19.9
223.11218	2.3
227.12701	3.5
229.51442	2.5
231.13869	4.6
233.15356	5.1
235.11287	2.4
237.12712	4.1
243.13670	2.1
247.16931	3.6
249.14859	6.0
255.13687	3.5
271.16910	3.4
273.14856	11.3
275.16589	10.6
287.16553	3.2
289.18045	3.3
321.22113	3.4
339.23288	6.5
349.21674	13.9
357.24417	2.4
367.22684	33.4
385.23697	49.2
403.24750	11.5
417.26346	6.1
425.77954	2.3
437.65857	2.1
441.26382	8.8
459.27417	93.6
473.29208	10.1
491.30139	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1187
Annotation	Kaempferol 3-(6''-ethylglucuronide)
Peak:m/z	Relative Intensity
53.03932	0.3
55.01860	0.2
55.05508	0.4
55.08595	0.2
67.01842	0.5
67.05484	0.6
68.99794	0.3
69.03435	0.8
69.07050	0.5
69.69828	1.0
70.06584	0.2
71.04997	0.3
72.08147	0.2
72.09914	0.2
79.05463	0.5
81.03394	0.6
81.07056	0.9
83.04989	0.3
85.02895	0.5
85.06516	0.1
86.09711	0.7
89.03912	0.2
91.05495	0.9
93.07044	0.6
95.04943	0.4
95.08617	0.5
97.02897	0.4
98.20807	0.2
99.04433	0.2
99.08085	0.2
102.32650	0.1
103.05431	0.2
105.07020	0.6
107.04938	0.3
107.08569	0.5
109.02880	0.5
109.06518	0.3
109.10139	0.4
111.04467	0.2
111.08089	0.2
112.70325	0.1
117.03384	0.2
117.07004	0.2
119.04941	0.3
119.08569	0.5
121.06477	0.3
121.10153	0.4
122.03642	0.2
123.04440	0.3
123.11678	0.2
125.05965	0.1
125.09601	0.2
127.03878	0.4
131.04941	0.4
131.08603	0.3
133.10092	0.2
135.04434	1.7
135.08058	0.2
135.11673	0.2
137.02365	0.7
137.05986	2.2
139.11139	0.2
143.05632	0.8
143.08582	0.2
145.06519	0.1
147.04402	0.4
147.08026	0.2
147.11714	0.2
149.02289	0.2
149.06030	0.3
149.09570	0.3
151.03937	0.3
151.07530	0.7
153.01834	4.3
160.77876	0.1
161.02361	0.6
161.05931	0.5
163.07565	0.3
167.07013	0.5
171.02974	0.8
171.04202	0.2
173.13338	0.2
175.07585	0.3
177.05472	0.3
177.09071	0.2
179.03395	0.3
181.04936	0.3
185.16443	0.2
187.07619	0.2
189.09027	0.3
191.10805	0.2
191.14349	0.2
203.07108	0.2
241.04973	0.7
249.09219	0.2
269.04446	0.5
277.08435	0.2
283.06277	0.2
287.05496	100.0
288.05844	2.3
291.10110	0.2
295.09595	0.3
299.05679	0.2
309.11099	0.2
311.09189	0.5
313.07080	1.3
329.10153	0.6
337.03329	0.2
386.28586	0.2
451.81784	0.1
491.11874	1.0
491.18417	0.2
491.19891	0.3
491.30511	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	489.3573
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.52531	1.2
53.03955	3.3
55.01874	1.5
55.05508	19.7
57.03432	4.5
57.07055	2.5
57.10498	1.2
59.05008	1.8
65.03933	1.5
65.82895	1.1
67.05507	57.3
69.07069	16.8
71.05001	2.4
71.08644	1.7
71.52110	1.6
72.71938	1.1
79.05496	31.9
81.06583	2.6
81.07056	35.5
81.75677	1.1
83.04994	1.5
83.08629	8.3
85.06537	2.7
85.53077	1.2
88.80187	1.2
89.73756	1.2
91.05486	25.1
91.06018	1.7
93.07047	32.8
95.04980	4.5
95.08610	25.4
95.09176	2.1
97.06551	2.6
97.10158	5.4
99.08093	1.8
105.07030	26.6
105.07688	2.3
107.08594	19.0
109.10161	31.4
111.08115	1.9
117.07019	9.2
119.08587	29.6
121.10157	12.7
123.08110	2.0
123.11723	2.3
125.09682	1.8
129.07016	3.9
131.08559	16.0
133.10130	17.9
135.08061	1.4
135.11716	8.4
139.11206	1.8
143.08560	6.8
145.10123	17.6
147.11690	14.9
149.13277	5.1
152.07784	1.4
155.08594	3.8
157.10138	6.4
159.11678	16.2
161.13326	5.8
163.14839	1.7
169.10155	4.5
171.11665	6.0
173.11766	7.1
173.13289	9.1
175.14835	3.2
177.12740	1.8
181.10107	1.6
183.11778	3.4
185.13268	4.9
187.14850	4.8
197.13235	3.2
199.14769	3.6
201.16353	2.4
211.14911	2.2
213.14719	2.2
213.16495	2.5
225.16426	1.4
227.18050	2.5
236.07907	1.5
261.22229	2.1
271.20892	2.0
285.22122	2.4
299.23767	2.0
377.26895	3.7
379.30029	11.4
397.31067	15.4
399.32611	1.5
415.32208	4.1
433.33276	2.0
471.34662	15.3
489.35773	100.0
490.36246	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.14646	1.0
50.76670	0.9
53.03947	3.3
55.01888	2.0
55.05515	16.5
57.03436	5.4
57.07088	2.1
59.05014	1.7
59.65542	0.9
65.03958	2.5
67.05508	64.0
69.03425	1.4
69.07075	15.1
69.31773	3.1
69.32184	8.2
71.04987	2.6
79.05493	29.2
81.03393	1.5
81.07059	36.6
81.07521	2.1
83.05013	3.4
83.08623	9.0
85.06557	2.0
90.88988	1.1
91.05482	26.0
91.06015	1.7
93.07049	33.7
93.07624	1.8
95.05010	3.5
95.08608	28.6
97.06564	2.3
97.10175	5.1
105.07031	26.2
105.07677	1.6
107.08598	19.0
109.06544	1.8
109.10163	31.2
111.08097	1.8
117.07024	9.0
119.08586	25.9
121.10148	16.4
123.11755	2.8
125.09663	1.9
129.07040	5.2
130.07813	1.4
131.08566	19.1
133.10123	18.6
135.11732	8.8
137.09665	1.9
137.13268	1.7
139.11217	2.5
141.06982	1.4
143.08566	8.4
145.10129	19.5
147.11719	14.6
149.13277	5.2
153.07027	1.1
155.08623	2.1
155.10710	1.1
156.09468	1.0
157.10185	4.8
159.08157	1.5
159.11699	12.0
161.13269	8.6
163.14891	2.0
169.10159	2.7
171.11708	6.5
173.11789	8.6
173.13345	11.8
175.14908	4.1
183.11801	4.7
185.13283	6.3
187.14801	5.8
189.12923	1.3
189.16396	1.2
197.13338	3.5
199.14931	4.5
201.16380	1.7
211.14819	1.8
213.14868	2.4
213.16702	1.6
225.16417	2.1
227.18120	2.2
239.18040	1.4
241.19612	1.8
243.21191	1.9
245.19133	1.8
253.19637	1.5
259.20676	1.7
261.22275	2.4
271.20728	1.7
273.22690	1.2
285.22263	2.2
287.23645	1.4
299.23819	2.7
317.24612	1.2
323.24011	1.5
325.04425	1.1
377.27109	2.9
379.29944	11.9
391.28506	2.1
397.31042	17.8
415.32013	5.9
432.69308	1.0
433.33276	2.0
471.34628	17.4
489.35974	100.0
490.36346	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	489.3575
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03932	2.2
55.01887	1.3
55.05514	15.3
57.03436	3.4
57.07071	2.8
59.04996	1.6
61.64307	1.1
65.03938	2.4
67.05505	72.2
69.07066	13.8
69.34574	3.4
69.34997	7.9
71.04987	2.8
76.75576	1.1
79.05495	27.0
81.07058	35.5
83.04961	1.5
83.08619	9.0
85.06533	3.5
86.15039	1.0
91.05486	21.5
93.07045	31.1
95.04958	3.5
95.08611	28.1
95.09200	1.0
97.06527	2.7
97.10175	3.2
105.07026	21.4
107.08598	20.0
109.06538	1.3
109.10154	45.3
111.08091	3.0
117.07041	6.9
119.08573	23.3
121.06488	1.1
121.10146	14.1
123.08076	1.9
123.11701	3.3
125.09661	1.3
129.07011	3.8
131.08565	13.3
133.10130	15.8
135.08087	1.4
135.11682	11.4
137.09602	2.8
139.11206	2.5
141.07039	1.7
143.08572	4.8
145.10114	12.3
147.11667	10.0
149.13277	5.9
155.08540	1.7
155.10597	2.3
157.10150	4.0
159.11676	8.2
161.09636	1.2
161.13318	6.3
161.14470	0.9
163.14812	1.5
169.10127	3.1
171.11693	5.1
173.11742	13.0
173.13286	7.2
175.14824	2.0
183.11737	3.2
185.13324	6.1
187.14850	4.0
197.13234	2.2
199.14870	3.9
211.14984	1.7
213.14745	2.0
243.21030	1.7
259.20645	1.6
261.22223	3.0
264.19302	1.0
285.21924	1.5
297.22372	1.5
299.23672	1.3
315.23126	1.2
317.24741	1.4
333.24429	1.4
377.26852	2.3
379.29959	8.7
391.28650	1.9
397.31079	10.3
415.32306	2.9
471.34793	9.3
489.35794	100.0
490.36261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
53.28074	2.4
55.01874	3.9
55.05519	13.8
56.05009	2.5
57.03426	4.8
57.07072	6.0
61.02924	3.4
65.03920	2.8
67.05507	35.9
69.03427	11.1
69.07069	31.8
70.06585	4.9
70.64340	5.2
71.04972	2.8
72.08164	3.8
73.02913	2.7
79.05501	17.6
81.03405	4.4
81.07055	100.0
83.04985	2.3
83.06073	3.9
83.08611	17.3
84.08157	3.3
85.02911	29.8
85.06557	24.7
86.09717	9.5
89.29444	2.6
91.05486	12.9
93.07046	34.4
95.04963	5.9
95.08608	83.8
97.02896	10.1
97.06539	6.0
97.10183	11.5
99.04450	5.2
99.08094	22.1
105.07031	13.3
107.04972	4.0
107.08598	39.5
109.02831	2.9
109.06519	3.3
109.10153	59.5
111.04465	3.8
111.08082	8.9
111.11712	6.5
113.09650	8.4
119.04928	4.7
119.08577	10.8
119.54847	2.4
121.02859	2.6
121.10158	28.5
123.04434	4.3
123.08109	14.3
123.08928	2.7
123.11699	31.7
125.04510	2.3
125.09603	3.4
125.13278	2.6
127.03926	8.6
128.48351	2.2
129.10179	2.4
131.08546	3.2
133.10139	12.3
135.11705	18.2
137.06032	11.8
137.13245	12.9
139.11200	2.9
143.05655	18.5
145.02864	5.3
145.10130	5.0
147.11728	15.2
149.05974	2.3
149.09682	3.6
149.13260	28.2
151.14793	3.5
159.11685	4.3
161.05945	3.6
161.13264	9.5
163.14799	22.3
167.07111	4.8
167.14293	4.9
175.07582	2.6
175.14799	5.6
177.05502	9.4
177.16400	13.9
179.06956	2.8
179.17969	2.6
185.13318	2.7
189.12794	2.7
189.16391	4.9
191.17964	7.2
196.14468	3.3
203.06976	5.0
203.14236	3.0
203.18047	5.1
207.13873	3.3
209.18994	3.6
217.19514	6.6
221.15262	2.7
235.20619	3.7
247.23973	2.7
270.05377	2.7
271.06018	3.6
273.25626	12.8
279.26962	2.6
285.11121	4.1
286.07080	5.9
291.26810	31.7
309.27878	10.3
310.07117	3.8
310.11844	3.3
327.12326	4.9
327.28882	5.0
328.08142	10.1
474.05606	3.5
480.87100	2.7
489.16556	2.9
489.22946	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	489.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
55.01871	2.7
55.05512	16.6
57.03421	3.9
57.07060	6.1
59.04984	2.1
61.02908	2.2
65.03934	2.3
67.05503	26.4
69.03425	11.0
69.07063	37.2
70.34229	1.4
71.04983	4.9
71.08619	2.0
71.60910	1.8
71.61295	1.6
72.39174	1.4
79.05488	19.2
81.03401	4.7
81.07054	100.0
83.04975	5.0
83.08612	14.8
85.02901	27.4
85.06541	39.5
86.09698	2.3
91.05470	13.5
93.06480	2.2
93.07039	33.4
95.04958	7.0
95.08604	82.2
97.02886	6.6
97.06519	5.5
97.10170	8.6
99.04414	2.6
99.07490	2.3
99.08088	28.1
105.01836	2.4
105.07021	12.3
107.08586	40.7
109.02881	5.0
109.06509	4.3
109.10149	43.2
111.04483	2.0
111.08084	12.5
111.11681	10.2
113.09644	4.3
117.07030	3.0
119.04933	1.9
119.08554	12.6
121.06470	1.7
121.10143	33.8
122.05970	1.9
123.08081	16.3
123.11698	26.8
125.09623	3.3
125.13277	2.0
127.03927	7.6
127.11180	2.6
131.08534	3.4
133.10150	8.9
135.11690	20.6
136.07512	1.5
137.05957	4.4
137.09528	3.1
137.13243	17.8
139.11163	7.4
143.05676	8.4
143.08492	1.8
145.04988	2.3
145.10115	2.9
147.04425	2.5
147.08029	2.2
147.11682	9.2
149.05977	2.0
149.09613	2.9
149.13257	31.3
151.03906	1.7
151.07573	1.7
151.11142	2.8
151.14827	2.6
153.12729	2.1
157.10194	1.8
159.11717	3.4
161.09644	2.1
161.13251	5.1
163.11169	1.9
163.14844	15.1
165.09058	3.6
167.07039	4.1
167.14285	1.9
168.07597	1.5
171.11658	1.8
175.07483	2.3
177.05432	2.1
177.16394	27.2
181.12309	2.0
185.13245	2.0
189.16386	2.4
191.17924	1.9
195.17441	21.9
203.18031	1.9
203.68231	1.6
207.13747	2.8
209.18904	2.9
211.20345	1.7
213.18498	42.5
217.19479	3.6
225.14795	6.7
227.19934	1.9
235.20567	3.7
273.25644	2.6
277.08746	1.8
279.26727	4.4
285.11270	2.0
291.26834	13.9
297.27838	5.2
309.27878	24.3
327.12189	2.2
327.28925	12.1
489.22754	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	488.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01860	1.3
55.05495	1.0
56.96552	0.7
57.07064	1.4
65.03939	0.8
66.06579	0.5
67.05491	1.5
69.03430	2.8
69.07063	1.2
70.06593	0.8
71.04985	0.6
71.61174	0.7
73.02921	0.7
77.01389	0.4
79.05476	0.9
81.03413	2.2
81.07040	1.6
85.02895	2.9
85.35244	0.4
87.00810	1.5
90.61884	0.5
91.05473	2.7
93.03388	0.4
93.07045	1.3
95.04972	0.7
95.08611	0.6
97.02907	2.4
97.06550	0.5
99.04429	0.8
105.01849	1.0
105.07027	1.1
107.04985	0.4
107.08613	1.0
109.02896	1.4
109.06527	0.5
109.10136	1.4
110.70139	0.4
119.04913	0.8
119.08579	1.2
121.02900	2.8
121.10187	0.5
122.06049	1.1
123.04418	0.5
123.11664	0.6
127.03902	2.5
129.06863	0.5
131.93204	0.4
133.02850	4.6
134.03200	1.5
135.08044	0.6
135.11723	0.8
137.05988	1.4
137.09601	0.6
143.05669	4.6
145.02853	0.8
145.04993	0.7
145.10130	0.5
147.11705	0.6
148.04826	0.5
149.02344	100.0
150.02658	0.9
159.03006	0.6
161.06052	0.5
165.05511	0.8
165.09023	0.5
165.76566	0.5
167.03418	2.9
175.03897	1.4
176.04358	0.9
177.05504	0.8
190.04993	1.2
201.05690	0.5
202.05992	0.8
205.06918	0.7
205.08586	3.6
207.06560	0.9
223.07419	0.7
223.09642	12.5
233.05849	0.5
234.06213	0.7
244.39299	0.5
266.09393	0.7
293.07999	0.8
294.08328	0.7
308.09961	1.1
325.10669	0.9
326.11014	3.6
338.85168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.4
53.03940	7.5
55.01863	3.4
55.05513	24.8
56.96548	1.6
57.03429	2.9
64.52021	1.0
64.52377	0.9
65.03934	4.9
67.05503	66.8
69.03391	1.0
69.06727	1.2
69.07068	15.3
71.04995	2.7
71.60222	1.2
73.06553	2.8
77.03899	1.0
79.05492	100.0
81.02972	1.7
81.03413	12.9
81.07053	58.0
83.04982	16.3
83.08626	8.4
84.16248	1.0
85.02908	2.2
85.06516	2.3
91.05476	73.7
93.07040	72.8
93.07526	1.2
95.04969	34.0
95.08601	35.4
97.02895	2.1
97.06521	9.0
97.10161	4.1
99.04420	1.1
99.08121	1.2
103.05457	1.7
105.04528	2.0
105.07029	51.5
107.04951	8.4
107.07872	1.7
107.08596	25.1
109.06505	9.0
109.10143	6.4
111.08073	2.9
115.05444	2.6
117.07027	13.1
119.08578	34.1
121.06506	5.3
121.10144	7.3
123.08049	8.8
123.11710	1.2
127.07567	1.2
128.06235	2.9
129.06995	22.5
130.07713	1.1
131.08563	6.0
133.06483	1.7
133.10133	12.1
135.08093	2.0
135.11694	3.1
141.07011	1.9
141.37096	0.9
143.08536	11.7
145.06580	1.1
145.10107	11.8
147.08034	4.1
147.11685	41.6
156.09358	1.4
159.11649	1.9
161.09622	5.4
161.13261	18.9
163.11176	2.8
169.10176	1.2
171.11693	35.2
178.93138	1.0
179.14290	4.3
183.11826	1.6
189.12744	15.1
207.13792	32.9
207.15735	1.8
208.14328	1.4
225.14830	10.5
233.15440	1.4
281.17441	3.9
329.14658	1.0
469.29596	1.9
482.63535	1.1
487.30505	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.3
51.52868	1.0
52.51060	1.0
53.03939	8.7
55.01858	5.0
55.05263	1.7
55.05510	25.5
56.96551	2.4
57.03423	3.9
57.07059	1.1
59.04991	1.9
65.03934	5.3
67.05505	70.9
69.03412	2.7
69.07068	15.6
69.86077	5.7
69.86486	2.1
71.04984	4.3
73.06534	3.5
79.00771	1.1
79.05490	100.0
81.03408	13.7
81.07056	58.7
83.04981	14.6
83.08630	8.0
85.02882	2.7
85.06537	2.5
91.05478	84.3
93.07041	83.8
95.04967	38.6
95.08606	35.6
97.02901	2.0
97.06527	9.8
97.10158	5.0
99.08080	1.3
101.94669	1.3
103.05437	1.2
105.04512	1.9
105.07028	54.2
107.04944	8.1
107.08586	25.1
109.06514	9.4
109.10149	6.6
111.08066	2.5
115.05433	1.9
117.07016	11.5
119.08577	35.5
121.06501	4.3
121.10157	7.4
123.08057	9.6
127.07560	1.7
128.06203	4.8
129.07002	24.0
130.07733	1.3
131.08571	6.8
133.06454	1.4
133.10139	14.4
135.08025	1.3
135.11682	3.7
141.06927	1.2
143.08548	12.0
144.67143	1.1
145.10130	16.3
147.08025	4.8
147.11687	43.0
151.11169	1.4
155.08545	1.4
161.09607	4.7
161.13249	19.8
163.11169	2.9
165.09055	1.5
169.10220	1.7
171.11668	42.5
179.14348	4.8
189.12749	17.2
207.13797	36.1
225.14844	12.6
233.15451	2.0
263.16382	2.7
269.10678	1.2
272.59906	1.3
281.17487	5.2
287.11728	1.7
356.48730	1.2
365.16370	1.6
377.24432	1.7
395.25784	1.3
446.05313	1.1
487.30527	53.7
488.30899	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.5
53.68438	4.9
55.01868	8.0
55.05511	22.7
57.03411	5.0
60.67630	4.9
67.05509	24.3
69.03427	50.8
69.07075	30.1
69.65749	5.0
71.04994	18.2
71.20345	6.6
72.08157	8.7
76.02207	9.4
77.03925	4.9
79.05492	23.4
81.03413	18.0
81.07055	56.1
83.04972	5.5
83.08603	12.7
84.04448	5.1
85.02906	44.5
85.06538	5.9
86.09695	8.2
87.00800	13.6
91.05489	38.1
93.07037	38.8
95.04956	14.9
95.08602	38.4
97.02894	17.5
97.06535	10.7
103.05479	9.0
105.01842	11.4
105.07015	23.7
107.04942	12.7
107.08595	52.5
109.02872	13.3
109.06528	8.0
109.10136	27.8
111.08099	5.8
111.11668	5.2
115.03932	10.1
117.03400	8.6
117.06952	5.7
119.04951	22.6
119.08582	26.2
121.06495	13.1
121.10136	27.5
123.08066	11.6
123.11700	32.9
125.09634	7.1
125.13268	11.9
127.03907	30.1
127.11163	6.3
131.04947	13.6
131.08568	7.0
133.02853	100.0
133.10130	15.5
135.04416	8.6
135.08109	10.6
135.11684	46.6
137.05978	35.1
137.13232	7.8
143.05629	17.2
145.02844	11.2
145.04993	5.3
145.10103	14.5
147.04379	27.6
147.11674	15.9
149.05984	41.2
149.13248	15.6
150.06769	13.1
151.14848	5.4
153.12761	9.8
159.11653	11.0
161.05992	11.2
161.13211	11.1
163.03871	6.0
163.07491	8.0
165.05501	15.1
167.07054	5.7
175.03891	40.0
177.05495	41.4
177.06931	8.9
179.04872	9.1
180.14624	6.2
183.11580	4.6
201.05492	13.0
203.17978	17.9
205.06578	14.5
205.19510	14.6
207.06502	9.1
209.15340	5.7
221.19044	16.9
233.05934	20.7
249.05623	4.9
250.06154	8.6
259.57669	5.1
261.05505	7.0
265.08621	17.7
275.06937	4.7
278.05719	5.1
292.07315	6.7
293.08063	19.7
307.09698	19.3
325.10721	86.9
326.10941	5.0
487.21292	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73319	5.4
53.03950	7.2
55.01865	8.5
55.05507	18.5
57.03440	9.4
65.59113	4.8
67.05510	22.3
69.03444	50.3
69.07071	26.4
69.55844	15.3
69.56274	20.5
70.06599	7.0
71.05006	13.3
75.42268	4.3
76.02233	8.7
79.05496	22.7
81.03429	15.4
81.07063	49.6
83.08620	10.0
85.02903	27.4
86.09721	5.7
87.00827	12.0
89.03923	6.3
91.05480	43.4
93.07053	29.8
95.04987	9.9
95.08624	35.2
97.02904	16.6
97.06509	5.6
99.08108	11.2
103.05469	8.4
105.01852	6.6
105.07047	19.5
107.04975	9.6
107.08573	36.4
109.02910	10.0
109.06516	9.9
109.10144	31.1
110.00668	5.2
111.11730	8.5
115.03983	7.2
115.05487	4.3
117.03365	8.5
119.04965	19.9
119.08604	23.9
121.06543	8.0
121.10162	18.7
123.04439	5.1
123.08083	7.5
123.11713	18.7
125.09625	5.8
125.13245	5.0
127.03902	24.5
131.04951	9.2
133.02859	100.0
133.06558	6.3
133.10110	12.2
135.04451	8.3
135.08014	8.9
135.11696	36.7
137.05986	35.5
137.13313	12.2
143.05673	5.8
145.02864	12.0
145.04913	5.6
145.10228	5.5
147.04440	19.6
147.11702	8.5
149.06024	34.7
149.13284	12.4
150.06764	12.8
151.07599	6.2
153.12767	7.9
159.11670	7.0
161.06058	9.0
161.13277	9.1
162.02292	4.6
163.03931	6.3
163.07538	10.6
165.05476	15.2
171.11755	5.4
173.05798	5.7
173.09657	6.7
175.03943	56.0
177.05557	27.0
177.12778	5.2
179.04881	7.1
181.08577	5.6
187.11325	4.9
201.05527	16.7
203.17877	12.3
205.06514	8.0
205.19495	11.8
207.06691	5.5
221.19058	12.9
233.05962	12.3
249.05534	9.1
250.06082	6.4
261.05853	7.3
265.08603	13.9
271.02103	5.3
277.05072	4.9
292.07260	9.0
293.08136	19.6
307.09763	14.9
325.10733	92.5
471.26257	4.7
487.16293	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	487.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
53.03942	1.6
55.01866	1.4
55.05505	1.5
56.96550	0.8
57.03429	1.2
60.05642	1.1
61.02927	1.0
63.02356	0.5
65.03932	1.7
65.65803	0.6
67.05489	2.4
69.03431	18.4
69.07059	2.5
69.48962	4.4
70.06564	1.0
71.04983	1.7
72.08160	0.9
77.03914	2.3
79.05482	2.3
81.03423	2.3
81.07069	4.7
83.05008	1.2
83.08618	0.6
84.04537	0.6
84.08146	0.7
85.02903	5.1
85.06544	1.2
86.09710	0.9
89.03910	3.7
89.06025	1.2
90.31114	0.6
91.05482	16.9
93.07050	4.1
94.04194	1.1
94.06517	0.6
95.04978	4.5
95.08611	2.8
97.02894	3.4
97.06532	1.4
97.10150	0.8
103.05461	2.8
105.03406	4.7
105.07038	2.2
106.04173	0.7
107.04953	1.7
107.08601	3.4
109.02861	2.2
109.06492	3.1
109.10159	3.8
115.05477	0.8
117.03403	4.7
117.07027	1.2
119.04948	16.2
119.08578	2.0
120.04486	0.6
121.06495	5.9
121.10155	1.3
122.03710	3.4
122.06002	0.6
123.04459	1.1
123.08089	1.3
123.11703	1.0
124.07632	1.1
125.09603	1.2
127.03930	8.4
127.07561	0.7
129.07001	0.7
131.04945	2.0
131.08560	1.5
133.02856	100.0
133.10132	2.1
134.03185	0.9
135.04417	5.2
135.08072	2.2
135.11682	1.5
137.05981	19.5
137.09552	0.6
139.11143	0.8
143.05669	6.4
145.02904	2.9
145.06435	1.1
145.10092	0.9
147.04417	12.9
147.11708	1.5
149.05988	32.9
150.06767	14.0
151.07468	0.6
153.12674	0.7
157.04019	2.4
158.03691	0.7
159.11710	1.3
161.06003	6.4
162.03123	1.1
163.03920	2.0
163.07538	1.2
163.11227	0.6
165.05501	13.2
165.06903	1.1
165.12791	0.8
167.07005	0.5
173.05994	2.1
173.09621	1.6
173.13284	0.8
175.03914	41.7
176.06198	1.4
177.05498	9.9
177.07025	2.0
186.03172	1.1
187.07578	0.8
191.07083	0.6
191.14342	1.6
193.04970	1.3
194.07333	1.1
201.05460	13.4
201.07167	1.2
205.06519	5.9
206.15466	1.4
207.06448	0.7
209.15370	0.8
219.06400	0.8
219.08232	1.3
221.06015	1.7
222.06804	1.9
233.05957	10.3
234.06671	1.6
235.07501	0.6
237.09045	1.3
247.07584	1.6
249.05510	5.8
250.06226	2.8
257.08014	0.7
259.06097	0.9
261.05475	7.1
263.07208	0.7
264.07861	2.5
265.08630	4.6
271.06046	0.8
275.07071	2.3
276.07993	0.8
277.05002	2.5
279.10083	0.7
282.08514	0.8
283.09644	0.8
289.25558	0.6
292.07239	6.1
293.08072	9.7
297.10989	0.7
307.09586	5.3
307.26450	0.9
325.10709	54.7
326.11090	1.9
436.95831	0.6
469.15030	1.3
487.15823	6.2
487.21750	1.5
487.32477	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	487.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03941	1.7
55.01870	1.4
55.05518	1.7
56.96561	1.0
57.03423	1.2
61.02934	1.0
65.03937	1.5
67.05494	2.0
69.03432	21.5
69.07052	2.3
70.06589	2.7
71.04998	0.8
71.31563	0.7
72.08136	0.7
77.03927	2.6
78.04698	1.0
79.05492	2.4
79.92616	0.7
80.05832	0.6
81.03416	2.8
81.07054	5.4
83.04988	2.0
83.08626	0.7
85.02908	5.4
85.06513	0.9
86.09689	0.9
89.03918	5.0
91.05486	18.6
93.07045	5.4
94.04177	1.7
95.04971	4.2
95.08623	3.5
97.02876	4.9
97.06508	0.8
97.10149	1.5
98.20712	2.0
99.04478	1.0
103.05449	5.5
105.03410	4.5
105.07015	3.4
107.04963	2.6
107.08589	3.5
109.02902	1.7
109.06518	1.8
109.10143	2.0
111.08082	1.0
114.84667	0.6
115.05511	1.1
117.03390	6.5
117.06994	1.2
119.04945	19.0
119.08566	1.8
121.06526	6.1
121.10148	1.8
122.03634	3.2
123.04417	0.7
123.08086	0.7
123.11703	1.5
125.09591	1.2
127.03933	8.9
131.04948	5.7
133.02853	100.0
133.10178	1.8
134.03534	1.2
135.04424	5.2
135.08041	1.7
137.05975	20.7
137.09596	0.8
143.05652	3.2
145.02856	9.0
145.06462	1.7
145.10118	1.5
147.04416	14.0
147.11661	1.0
149.05983	30.7
149.13228	1.2
150.06750	13.1
151.03922	1.1
151.07527	1.3
157.03966	2.3
161.05975	6.5
162.03145	2.0
163.03905	2.0
163.07550	6.4
163.14705	0.9
165.05476	13.4
167.07091	1.2
173.06012	2.0
175.03900	42.1
176.06213	1.3
177.05482	23.0
177.06963	2.2
178.02711	0.7
186.03055	1.0
191.07028	1.3
191.08667	1.5
191.10574	0.8
193.04973	1.7
193.06560	0.8
194.07315	1.1
195.08209	0.9
201.05450	14.5
203.06976	1.2
204.05620	0.9
205.06480	6.7
219.06381	1.2
219.08205	1.2
221.06116	1.6
222.06790	2.7
229.59230	0.8
232.05171	0.9
233.05977	10.9
237.09114	1.7
247.07539	2.2
249.05399	4.7
250.06253	3.0
258.99545	0.8
261.05402	5.8
264.07825	2.2
265.08569	5.8
267.06580	0.9
275.07028	2.4
277.05008	3.3
279.10074	1.1
292.07315	6.8
293.08075	10.2
297.11252	1.0
307.09613	7.1
307.26300	1.6
325.10684	60.8
326.10995	1.6
431.21906	0.8
469.14908	1.8
487.15845	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	487.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.8
53.03944	0.9
53.48553	0.4
55.01863	0.7
55.05516	0.8
57.03429	0.9
57.07067	0.5
61.02926	1.1
63.01460	0.4
65.03934	1.0
67.05503	1.1
69.03080	0.8
69.03433	10.7
69.07060	1.0
70.16730	1.4
71.04999	0.6
73.62658	0.5
77.03923	2.1
77.56741	0.4
79.05502	1.2
81.03426	1.2
81.07071	2.1
83.04961	0.9
84.10631	0.4
84.51351	0.4
85.02900	2.1
85.06551	0.6
87.85732	0.4
89.03931	3.3
89.06048	0.6
91.05484	14.7
93.07054	2.8
94.04200	0.9
95.04977	3.8
95.08618	1.1
97.02895	2.3
99.04463	0.8
103.05452	2.8
105.03416	3.7
105.07024	1.5
107.04988	1.9
107.08604	1.5
109.02892	0.7
109.06528	0.7
109.10159	0.6
115.05455	0.7
117.03379	3.9
117.07041	0.7
118.04211	0.7
119.04954	16.4
119.08560	2.3
121.06522	4.6
121.10136	1.3
122.03678	2.5
122.06021	1.0
123.04427	0.6
123.11703	0.6
127.03918	5.2
131.04951	1.6
131.08524	0.7
133.02858	100.0
133.10141	0.5
134.03610	0.8
135.04431	4.2
135.11705	0.5
137.05989	17.9
145.02847	3.8
145.06487	0.8
145.10173	0.7
147.04425	12.0
147.11676	0.4
149.05989	28.2
149.09650	0.6
150.06770	10.6
150.07925	0.8
151.03967	0.7
151.07573	0.5
155.08562	1.8
157.03975	1.1
158.03622	0.4
159.08066	0.5
159.11700	0.5
161.06003	6.0
162.03152	0.9
163.03889	0.4
163.07556	0.9
163.11211	0.5
165.05493	11.2
165.06900	0.7
167.06992	0.8
171.11707	0.5
173.06041	1.5
173.09595	3.9
175.03918	38.0
176.04283	0.5
176.06215	1.1
177.05489	8.2
177.07013	2.8
181.08716	0.5
186.03172	0.6
189.05548	0.6
189.07132	0.5
191.08649	0.8
191.14384	1.5
193.04988	0.9
194.07365	1.3
201.05484	12.3
204.05649	0.8
205.06516	5.9
209.15340	2.7
211.07573	0.5
215.07112	0.5
219.06319	0.8
219.08112	1.3
221.06139	2.1
222.06746	2.0
225.09250	0.6
232.05222	0.5
233.05978	9.7
234.06551	0.5
237.09160	1.4
247.07642	2.2
249.05493	5.2
250.06302	2.8
251.06966	0.6
260.04633	0.5
261.05499	6.2
262.06064	0.5
264.07956	2.3
265.08606	5.3
267.06625	0.5
275.07059	1.5
277.05057	2.4
277.07700	0.4
278.05844	1.4
279.10178	0.4
282.74380	0.4
292.07291	4.7
293.08069	9.0
297.11301	0.9
307.09634	4.4
314.44186	0.4
325.10718	59.4
325.91837	0.4
326.11041	1.3
343.11914	0.4
415.82816	0.5
469.15094	0.8
487.15817	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	487.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.2
56.05030	0.3
56.96556	0.3
57.03436	1.9
59.05016	0.2
59.06110	0.3
61.02924	0.5
65.03956	0.2
67.05493	0.3
68.99783	0.7
69.03419	0.9
69.77941	0.5
69.78342	1.1
70.06597	1.0
71.01329	0.4
71.04996	11.3
72.08147	0.5
73.02917	0.3
75.04464	0.8
78.02222	0.2
79.05491	0.5
81.03398	0.4
81.07046	0.2
83.04974	0.7
84.04510	0.4
84.08128	0.7
85.02907	12.6
86.06036	0.2
86.09692	0.8
87.04428	0.3
88.03879	0.2
91.05447	1.2
93.07025	0.3
95.04955	0.5
97.02885	0.8
98.97581	0.4
99.04442	0.5
101.07136	0.8
101.62462	0.2
105.07059	0.4
107.04970	0.4
108.04533	0.2
109.02898	0.3
110.07174	0.3
111.04428	1.1
116.98618	0.4
117.03416	0.4
119.04955	0.6
121.06542	0.3
123.04429	0.4
127.03925	0.7
127.06152	1.7
129.05476	2.6
129.10226	0.3
133.02875	2.1
134.05974	0.3
134.99634	0.3
135.04366	0.5
137.05957	0.9
140.07077	0.4
142.04872	0.3
143.05646	6.6
144.04066	0.4
145.02832	0.7
147.04414	1.2
147.06534	0.4
147.09148	1.0
149.05981	0.6
151.03958	0.2
155.03418	0.5
159.81042	0.2
161.05949	0.3
163.03899	1.2
164.07019	0.3
165.05476	0.2
165.09198	0.2
167.07051	0.6
175.03914	0.9
177.00639	0.2
177.05475	0.8
179.03395	100.0
180.03740	1.9
181.04967	1.4
182.05298	1.0
191.08153	0.8
191.10655	0.2
192.06538	0.7
201.05345	0.2
207.06549	0.6
237.02994	0.3
281.14807	0.6
296.07834	0.5
318.92456	0.2
325.10474	0.8
325.14005	1.5
341.08685	6.2
361.13834	0.5
363.12027	0.2
487.21332	0.7
488.17749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01881	0.4
55.05490	0.5
56.05021	0.4
56.96550	0.4
57.03430	1.1
67.05497	0.6
69.03426	3.2
70.06584	1.6
71.04993	7.4
71.59553	0.5
72.08157	0.8
73.02927	0.5
79.05472	0.5
81.03399	1.4
83.04965	1.2
84.04503	0.8
84.08135	1.1
85.02908	10.4
86.09686	1.1
87.06722	0.6
88.11486	0.4
89.03919	1.9
91.05475	1.8
93.07030	0.4
95.04986	0.8
97.02894	2.0
98.97596	0.7
99.04443	0.6
105.03398	0.6
107.04950	1.2
109.02876	1.5
109.06527	0.4
110.07098	0.5
111.04407	1.2
117.03371	1.5
119.04924	1.8
121.06492	1.0
123.04433	7.1
127.03931	1.6
129.05524	2.0
133.02861	8.6
134.99655	0.4
135.04410	4.3
137.02348	0.4
137.05977	1.5
138.05492	0.5
143.05646	35.9
144.03984	0.5
145.02824	2.5
145.05022	0.9
145.06485	0.5
145.07603	3.7
147.04396	1.8
149.06001	1.9
150.06761	0.7
151.03937	3.4
163.03906	18.5
165.05490	1.6
167.14801	0.4
173.74258	0.4
175.03938	2.1
177.05464	1.8
179.03400	100.0
180.03720	1.2
181.04965	1.3
189.05635	0.4
198.94191	0.4
201.00717	0.4
201.05405	0.8
207.06570	0.9
219.91580	0.4
233.06105	0.5
237.02867	0.7
292.07330	0.5
293.07898	0.5
295.06015	0.8
307.08618	0.4
325.10815	2.7
341.08707	7.1
343.87015	0.4
442.73862	0.4
469.16269	0.5
487.08823	1.0
487.17035	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	487.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48032	0.1
52.23970	0.1
53.03931	0.2
53.99963	0.1
55.01871	0.2
55.09102	0.1
56.05009	0.1
56.96543	0.2
57.03429	0.2
58.99311	0.1
59.06129	0.2
62.29000	0.1
64.55627	0.1
64.78499	0.1
67.05508	0.2
68.99791	0.2
69.03413	0.4
70.06587	0.3
70.75268	0.4
71.04982	0.8
72.08147	0.2
73.02866	0.2
77.03920	0.2
79.05490	0.2
80.65871	0.1
81.03393	0.8
83.04966	0.2
84.04462	0.2
84.08125	0.3
85.02898	1.2
86.18771	0.1
89.03910	0.3
91.05482	0.2
95.04984	0.2
97.02878	0.2
101.07117	0.2
105.03391	1.1
107.01299	0.9
107.04926	0.2
109.02849	0.7
113.15817	0.2
117.03352	0.3
121.06471	0.2
123.04433	0.6
125.02322	0.2
127.03896	0.5
129.05481	0.4
133.02829	0.7
135.04364	0.5
136.07536	0.2
137.02261	0.1
137.05956	0.2
143.05632	3.0
145.02808	0.3
147.04434	0.3
149.05994	0.2
151.02737	0.2
151.03896	2.2
153.01820	0.2
161.02338	3.9
163.03882	2.2
164.06895	0.2
165.05464	0.1
179.03380	100.0
180.03741	1.4
182.08063	0.4
248.90608	0.2
252.70357	0.2
295.05966	0.4
317.08496	0.1
327.63571	0.2
341.08490	0.4
487.14032	1.2
497.10352	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	486.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
53.82924	0.7
55.05510	8.8
56.05031	1.8
57.03421	2.0
57.07067	1.6
57.98785	0.8
58.99292	1.1
58.99583	16.2
65.03924	1.3
66.74766	0.9
67.05503	31.7
69.03419	3.8
69.07059	5.3
70.06592	1.1
70.86502	2.0
71.04983	2.4
73.01141	0.9
76.02227	63.5
76.03996	2.9
78.57277	0.8
79.05138	0.9
79.05503	10.1
81.03403	1.3
81.06585	1.3
81.07059	25.2
83.04971	1.7
83.06087	2.6
83.08602	3.5
84.04504	20.2
84.08122	0.9
85.02896	2.0
85.06557	1.0
86.09711	1.1
86.99053	4.7
87.02700	1.4
88.02193	1.6
89.03893	0.9
91.05479	12.1
93.07046	12.9
95.04958	5.0
95.08607	42.8
97.06545	1.7
105.07022	11.5
107.08580	8.4
108.08176	1.0
109.06516	3.4
109.10155	27.0
111.08085	1.1
112.03929	1.1
113.04202	2.5
116.01678	24.2
117.07032	2.0
119.04900	2.5
119.08582	14.0
121.06479	1.7
121.10104	4.5
123.08060	3.7
126.09066	1.0
127.03929	1.3
129.06613	3.1
130.05025	7.0
130.06842	3.8
130.08647	1.5
131.04961	1.6
133.02853	5.7
133.10085	4.5
134.09656	3.0
135.08060	2.0
135.11703	2.2
137.05951	2.7
137.09557	3.9
139.05844	1.9
142.03223	4.8
143.05635	2.1
143.08543	1.1
144.01154	13.4
145.04988	1.0
145.06084	1.9
147.04384	2.4
147.07986	1.2
149.05954	2.2
149.09607	1.1
151.14821	19.4
157.10075	1.0
159.11699	1.5
161.05977	0.9
161.09653	1.6
161.13226	10.5
162.02200	43.3
163.03801	1.1
165.05434	1.0
170.02737	4.1
175.03877	3.5
175.14786	1.2
177.05420	2.8
178.15923	1.5
179.04852	100.0
179.14313	29.5
187.05322	4.3
201.05479	1.8
203.14391	1.8
205.06516	1.0
207.06564	2.2
208.06880	1.4
216.06784	1.5
233.05904	18.7
233.09499	1.8
236.14665	3.9
237.13007	5.3
245.05911	2.7
254.15665	1.8
290.17484	1.0
291.06400	2.3
308.09091	13.1
325.10757	7.1
339.17386	13.8
393.18344	2.2
411.19492	14.7
468.21698	5.8
486.22812	2.8
487.19220	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
57.03432	8.1
57.07076	19.3
67.05513	9.3
69.07068	6.8
71.08631	18.2
79.05511	1.9
81.07062	9.6
83.08618	6.2
85.10167	8.4
95.08601	10.2
97.10173	2.4
98.20750	6.7
98.98464	8.7
105.42014	2.2
109.10172	3.9
119.08595	2.3
121.10105	2.4
133.10143	2.8
140.70956	2.1
155.01047	5.3
229.32443	2.3
239.23717	2.6
309.09302	2.5
313.27371	100.0
449.26440	3.6
485.32379	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	486.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08424	0.3
53.03948	0.8
56.96560	0.5
63.19357	0.4
67.05501	0.5
69.03414	1.7
69.07059	1.4
69.49704	3.6
70.06573	0.7
71.69379	0.4
81.03397	1.5
82.06583	0.5
84.08128	0.4
85.02878	0.5
87.06733	3.8
91.05467	0.6
93.07037	0.5
94.06576	2.2
95.04961	0.6
97.02894	1.2
98.21583	0.6
99.16731	0.4
108.08099	1.5
109.02875	3.1
109.06521	1.3
110.06041	1.2
111.08171	0.5
112.07587	0.9
122.06033	9.1
123.04318	0.4
125.64919	0.3
127.03913	6.8
130.08672	0.4
134.06050	0.5
136.07610	5.3
137.05965	1.1
138.09163	4.6
139.07516	1.2
140.07066	12.3
141.04111	0.9
143.05644	100.0
145.04950	2.1
147.04399	0.7
154.08621	9.7
163.03908	1.6
164.07076	2.9
168.77492	0.4
177.05481	0.6
182.08127	22.8
200.09190	6.2
230.79338	0.4
241.11749	0.5
242.10255	1.3
248.09280	0.8
253.00885	0.4
290.10324	0.7
305.10828	1.9
308.11298	3.6
326.12338	20.5
334.43597	0.4
344.13358	3.9
469.65848	0.4
486.11243	0.9
486.18359	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.4
55.01866	16.9
55.05518	28.9
56.96562	4.8
57.03436	17.0
57.07077	6.6
65.03941	6.6
67.05507	52.9
68.99785	8.3
69.03426	56.1
69.07070	27.4
71.05002	32.8
73.02906	8.4
76.02243	6.0
79.05495	38.1
81.03425	45.0
81.07066	90.6
83.04990	11.8
83.08620	10.4
84.04520	5.3
85.02911	86.0
85.06553	5.3
86.09717	7.5
87.00830	26.6
89.06033	13.6
91.05484	72.4
93.07043	66.0
94.06565	4.6
95.04983	22.5
95.08609	100.0
97.02902	35.1
97.06561	15.2
97.10208	7.7
99.04472	14.0
99.08078	8.1
103.05453	5.5
105.01868	11.1
105.07032	80.7
107.04957	4.9
107.08607	66.8
107.85190	4.5
109.02877	32.4
109.06529	18.7
109.10150	45.4
111.08115	7.4
115.03936	7.6
117.01907	4.8
117.03386	7.6
117.07020	20.0
119.04945	37.6
119.08585	68.0
121.06500	9.5
121.10144	39.4
122.06065	12.8
123.04412	6.0
123.08087	13.3
123.11737	42.6
125.05988	7.3
125.09631	10.1
127.03944	37.9
127.07580	7.3
129.07004	13.7
131.04913	6.3
131.08560	21.5
133.06517	8.7
133.09138	6.8
133.10129	95.4
135.08073	13.6
135.11687	31.3
137.05998	15.8
137.09630	14.0
137.13255	6.1
139.11186	6.2
142.07735	4.9
143.05638	21.4
143.08589	13.3
143.10620	6.1
145.02867	14.9
145.04965	14.2
145.10139	36.6
147.04445	36.6
147.08090	9.2
147.11693	74.8
149.09669	12.9
149.13295	17.5
151.03860	5.6
151.07556	8.4
151.11151	30.0
157.08919	4.4
157.10168	13.0
159.02890	22.6
159.07971	7.0
159.11731	30.9
161.05974	6.4
161.09691	9.7
161.13261	20.8
162.02266	6.6
163.04001	6.1
163.07591	6.1
163.11270	9.6
163.14760	4.9
165.96216	4.5
167.07080	8.2
167.10681	5.4
171.08109	5.1
171.11667	7.2
173.13300	8.8
175.03938	45.7
175.07454	5.4
175.11166	10.8
175.14859	10.3
177.05423	23.2
179.04875	10.9
179.14317	4.6
187.11195	6.7
187.14783	4.7
189.12851	5.0
189.16415	11.6
191.14470	5.4
191.17879	5.5
195.11823	6.1
201.16478	21.5
203.17993	15.9
207.06534	91.8
213.12599	5.5
213.16301	5.2
217.15880	7.6
219.17450	78.4
221.18973	8.0
237.18549	20.2
241.12335	5.5
243.17657	6.3
291.08563	6.7
305.24615	6.4
323.09320	5.6
380.09036	4.9
485.15286	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	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01859	8.3
55.05508	22.8
57.03438	6.7
61.02916	7.6
65.03937	4.1
67.05499	16.7
68.99789	6.0
69.03428	33.4
69.07054	10.5
70.06564	8.8
71.04993	25.3
73.02900	3.5
79.05483	13.5
81.03413	27.4
81.07052	45.9
83.01364	2.7
83.04627	2.6
83.04986	27.8
83.08591	3.8
85.02901	42.5
86.09700	3.5
86.68906	2.7
87.00819	10.6
89.06032	5.1
91.05472	47.7
92.05792	3.2
93.07037	30.3
94.07407	3.1
95.04993	12.8
95.08609	23.1
97.02874	18.8
97.06528	9.0
99.04446	7.7
99.08099	4.6
105.01879	6.6
105.07027	41.9
107.05017	3.3
107.08566	26.8
109.02864	21.1
109.06497	7.4
109.10168	22.3
111.04437	4.7
111.08079	7.5
115.03919	3.2
117.06989	6.3
119.04941	35.5
119.08569	23.0
121.06485	5.0
121.10136	53.0
123.04383	6.8
123.08070	7.4
123.11710	12.4
125.09671	3.0
127.03923	29.8
127.11166	3.1
129.01854	4.7
131.08565	16.5
133.10127	100.0
135.08070	5.1
135.11668	22.5
137.05994	6.3
139.11201	4.8
143.04561	5.4
143.05641	78.3
143.08585	4.1
143.10669	2.8
145.04965	5.9
145.10086	16.0
147.03099	4.1
147.04370	27.4
147.11655	21.9
149.09653	6.8
149.13254	7.7
151.11174	8.9
153.12697	16.2
157.10088	4.4
159.08073	3.1
159.11725	18.3
161.06036	3.8
161.09741	3.8
161.13216	7.3
163.11182	5.6
167.06984	2.7
175.03902	44.5
175.14845	5.4
177.05505	11.6
185.13354	3.6
191.17953	9.5
201.16357	24.6
207.06522	76.5
217.15797	2.8
217.43114	3.2
219.17403	36.4
237.18465	39.8
263.09198	4.2
265.51807	3.1
291.08627	6.0
443.15717	3.2
449.21573	4.7
467.22931	3.1
485.15964	4.6
485.22812	4.2
485.33289	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	485.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91034	0.2
57.08274	0.2
65.03949	0.9
67.05487	0.9
69.03428	1.2
69.07026	0.2
70.06567	0.3
71.04962	0.2
71.60363	0.3
72.07302	0.2
76.62507	0.1
81.03407	0.9
82.04182	0.2
83.04971	0.5
84.08106	0.5
84.61594	0.1
85.02901	1.2
86.19123	0.1
87.06712	3.9
91.05464	1.0
93.03377	0.4
93.26393	0.2
95.04956	0.8
97.02869	0.3
97.06503	0.3
99.00814	0.6
99.04440	0.2
107.04951	0.6
107.08624	0.2
109.02876	0.3
110.03653	0.5
111.04436	1.2
113.04567	0.2
117.01909	0.2
119.04958	1.0
121.02837	0.3
123.04423	0.4
125.04633	0.2
125.06003	0.4
127.03896	0.7
127.95449	0.2
129.05452	0.5
131.04944	0.3
135.04439	0.3
137.05975	0.2
138.03079	0.2
139.03944	0.4
140.04688	0.8
141.04054	0.5
142.02586	0.3
143.05632	100.0
144.05394	0.1
144.05998	0.2
145.02837	0.4
147.04396	2.8
151.19435	0.2
153.05461	0.2
155.07031	0.4
163.03912	0.4
171.06529	1.4
175.03960	0.4
177.05504	0.8
181.04942	20.3
182.05321	0.3
185.06746	0.3
185.86742	0.2
199.06033	0.3
207.06544	0.6
219.08131	0.2
227.05612	0.4
237.09079	0.4
265.08640	0.2
273.06000	1.0
305.10962	0.5
311.09137	0.3
323.12329	0.4
325.09207	1.0
343.10095	1.2
485.14545	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63366	0.2
53.03949	0.4
55.01878	0.2
57.03435	0.4
60.09673	0.2
61.02924	0.3
62.28022	0.2
69.03431	2.7
70.06627	0.2
70.82015	0.2
71.04991	2.6
71.59415	0.2
73.02909	0.2
76.40672	0.2
81.03424	2.2
83.04992	0.7
84.08122	0.2
85.02908	3.4
89.06033	9.9
91.05486	0.3
95.04988	0.3
97.02895	5.3
99.04457	1.2
109.02882	1.5
110.06070	0.2
111.04454	0.5
116.98592	0.2
117.05515	0.2
119.04957	0.3
122.27689	0.2
123.04429	0.2
127.03912	3.5
132.04454	6.1
135.04404	0.3
139.03897	0.4
143.05637	0.2
145.04959	2.7
147.04410	0.7
160.03970	0.4
163.03888	1.3
167.07024	0.3
178.04999	54.9
179.05325	0.4
197.08171	0.2
197.93463	0.2
206.04489	100.0
207.04803	1.2
207.06602	0.3
215.09192	0.3
217.07100	0.3
236.71736	0.2
243.08621	0.2
261.09702	0.3
367.87631	0.2
376.97400	0.2
484.13904	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	483.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	22.3
57.03427	7.9
57.07064	11.8
67.05486	11.6
68.09075	3.5
69.07072	25.4
69.92026	3.8
71.08611	8.1
71.60763	4.1
71.61120	4.4
78.35799	3.8
79.05507	6.2
81.07041	9.4
81.10239	3.8
83.08620	23.3
89.84250	3.2
93.07011	6.5
95.08601	7.7
97.10164	20.1
98.98458	9.5
102.89319	3.2
107.08598	7.5
109.10104	6.2
111.46405	3.7
112.89713	3.2
121.10134	4.8
135.11728	3.6
148.99757	7.5
155.01042	6.7
185.73776	3.7
282.00201	4.4
311.25790	100.0
312.26102	4.4
342.34988	3.5
483.24594	4.1
483.35815	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.0
55.05502	31.7
57.03442	34.5
60.89454	4.2
61.02926	77.8
65.03937	7.2
67.05180	6.8
67.05508	97.6
69.03423	50.0
69.07069	24.9
71.01353	10.1
71.05002	7.6
71.60326	6.0
73.02922	36.1
79.05495	83.7
81.03424	25.5
81.07056	100.0
83.04984	12.0
83.08636	11.8
85.02905	75.7
85.06539	7.2
87.04498	5.2
91.03953	49.3
91.05473	54.2
93.07043	77.6
95.04930	11.2
95.08611	84.2
97.02888	60.4
97.06536	7.3
97.63559	5.3
99.04454	13.5
101.02378	9.7
103.03936	15.1
105.07016	35.0
107.08600	57.4
109.02863	14.3
109.06535	6.7
109.10168	33.7
111.08076	6.1
115.03925	8.9
117.05504	7.2
117.07000	11.7
119.08619	35.3
121.10133	31.7
123.11734	13.7
125.09583	6.7
127.03934	26.0
127.04694	4.3
129.05450	5.8
131.08580	25.9
133.10120	21.3
135.11658	22.4
143.08562	7.9
145.05000	9.8
145.10120	17.5
147.11679	16.5
149.09706	6.4
149.13268	9.1
157.10168	5.0
159.11685	16.2
161.13268	8.2
173.13371	9.4
229.19492	10.1
247.20590	16.5
321.24286	79.1
408.97589	5.4
417.40753	5.0
441.50381	4.9
483.29428	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	483.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01869	3.9
55.05519	15.2
56.96556	3.2
57.03429	4.1
57.07067	6.0
67.05506	19.5
69.03429	15.0
69.07050	14.3
70.06587	6.7
71.04994	4.6
72.41343	2.4
79.05490	11.6
81.03409	11.8
81.07055	25.5
83.04976	14.5
83.08610	8.8
84.08171	4.0
85.02911	14.6
85.06524	3.6
86.09694	14.3
87.06728	4.6
91.05495	24.0
93.07047	23.5
95.04952	10.5
95.08604	21.8
97.02888	10.7
97.06538	7.2
97.10144	3.3
99.04441	6.2
105.07027	25.4
107.08587	26.4
109.02881	10.2
109.06521	8.0
109.10152	28.3
111.04466	3.7
111.08069	4.8
117.07024	7.9
119.04924	3.1
119.08585	43.3
120.08057	15.2
121.06510	3.9
121.10142	24.5
122.06031	7.1
123.04421	8.1
123.08107	6.7
123.11721	7.5
124.07600	13.4
127.03907	7.8
128.06221	6.0
129.06976	7.9
131.08583	19.3
133.06487	3.8
133.10141	29.0
135.08086	7.7
135.11710	13.8
136.07625	3.2
137.05966	9.3
137.09622	10.1
139.11171	12.4
140.07063	7.3
141.06955	4.5
142.07764	4.2
143.05644	100.0
143.08566	12.4
143.10616	4.0
144.05885	3.0
145.02846	6.9
145.10129	48.2
147.04384	4.9
147.08064	18.7
147.11705	19.4
149.06029	3.6
149.09619	8.4
149.13284	7.4
151.07564	7.3
151.11139	5.5
153.05498	3.2
153.06929	3.7
155.08470	7.1
156.09380	5.1
157.10133	15.8
158.10907	5.1
159.08084	4.8
159.11688	14.6
161.09616	5.4
161.13269	6.4
163.11176	6.6
163.14871	3.4
164.07053	2.8
165.09154	12.8
166.08716	5.1
167.07059	9.9
169.10089	8.4
171.11723	19.2
172.03894	4.9
172.08846	3.6
173.09592	10.5
173.13274	24.4
175.07547	4.2
175.11169	5.7
175.14828	10.4
177.05501	17.9
177.09048	5.3
177.16389	4.6
182.10941	3.8
182.97327	2.7
183.11705	7.6
184.07315	8.3
185.09584	5.3
185.13246	11.9
186.13956	3.9
187.11244	14.4
187.14772	30.6
188.15634	9.2
189.12692	4.7
191.10709	3.3
195.08318	2.6
195.11697	3.3
197.09654	3.4
197.13232	9.6
199.11201	7.3
199.14822	9.0
201.09003	3.3
201.12730	10.0
201.16110	2.8
203.10674	3.4
203.14435	3.6
204.06671	4.3
205.12325	2.8
205.15866	28.2
206.04575	2.8
206.08177	5.4
207.06470	3.5
207.11765	3.6
208.09660	4.6
209.13171	4.5
211.11205	8.1
211.14850	5.5
215.10719	3.2
215.14247	6.3
217.12341	5.1
217.15829	5.2
224.15599	3.8
225.12770	7.2
227.14240	7.3
229.12206	5.4
229.15840	4.2
233.16388	3.5
239.17970	11.7
242.12862	3.4
243.13745	13.2
245.15433	5.2
247.13405	3.7
257.04422	8.6
257.19016	17.9
267.17462	8.3
275.20047	6.2
285.18506	57.6
303.19598	19.8
409.08914	5.0
431.41388	3.0
452.18369	7.2
483.18707	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	483.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03420	0.9
60.52448	0.4
67.05500	0.8
67.72798	0.4
69.03423	0.5
70.06586	1.0
70.40388	0.4
71.04985	1.7
71.60800	0.5
79.05473	0.7
81.03407	1.1
81.07046	1.1
85.02896	2.2
88.25132	0.4
91.05460	0.9
95.04974	1.4
97.02881	0.7
105.07025	0.6
107.08549	0.5
109.02863	0.9
110.06039	0.5
112.07610	0.7
122.06011	1.3
124.07601	0.5
127.03881	1.4
136.07570	1.4
137.05934	0.7
138.09151	0.9
140.07047	2.8
143.05647	4.3
144.05998	0.6
145.02840	0.6
145.06062	0.7
147.04404	1.1
151.03961	0.5
152.07011	0.7
154.08655	0.9
163.03912	0.8
164.07042	1.3
167.06998	0.7
171.11462	0.4
175.03656	2.1
177.05490	1.7
178.05815	0.5
181.03366	0.4
182.08112	3.7
185.04205	0.7
185.80923	0.4
200.09247	0.4
207.06404	0.7
207.13797	0.4
303.13303	0.8
331.09991	7.9
337.08878	2.1
396.69406	0.5
483.14694	100.0
484.15045	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
53.59109	1.2
55.05510	4.7
56.96570	2.3
57.03437	4.5
61.02921	2.6
67.05516	9.7
69.03419	2.9
69.07080	7.5
69.52260	12.3
70.06577	5.0
71.04995	2.8
76.21825	1.4
78.79683	1.4
79.05496	7.3
81.03391	2.8
81.07060	35.4
83.04974	4.1
83.08624	2.6
85.02905	6.0
85.06538	3.0
87.04466	1.7
91.05466	10.6
93.07058	6.8
94.07394	1.7
95.04951	3.4
95.08609	8.4
97.02866	2.5
97.06533	4.3
98.02762	1.4
98.97585	1.4
99.08112	2.0
105.07034	16.9
107.04886	1.6
107.07948	1.3
107.08591	6.0
108.08121	1.8
109.02905	3.0
109.06551	3.8
109.10192	1.9
116.98609	1.5
117.03375	2.2
119.04945	1.6
119.08580	13.3
121.10138	9.2
122.06020	4.5
123.08051	2.3
123.11700	11.3
127.03917	5.1
133.06505	1.8
133.10118	2.3
137.06006	8.5
138.06392	1.5
140.07054	2.4
143.05656	26.6
145.02881	7.4
145.10066	1.7
147.04387	2.7
147.11697	33.4
149.05983	1.4
157.10112	2.7
162.07817	1.5
163.03951	3.5
165.12747	15.0
167.07054	3.5
168.59669	1.5
175.03978	2.0
175.11237	1.8
177.05484	16.5
183.13872	3.1
189.12759	1.4
193.12256	2.1
205.47156	1.4
207.06540	3.3
229.14366	6.6
267.15936	29.0
285.16977	100.0
295.10675	1.8
320.15082	1.9
341.11072	1.4
447.21783	2.2
482.22577	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01875	2.7
55.05509	8.7
56.96566	2.5
57.03436	9.5
59.41658	2.2
61.02929	5.9
63.28524	2.7
67.05502	13.3
69.03430	9.6
69.07066	3.5
70.06591	6.4
70.88253	2.3
71.04993	3.0
71.61147	3.7
79.05481	14.8
81.03417	39.8
81.07050	13.3
83.04993	7.8
83.08639	13.1
84.08154	5.5
85.02910	21.9
86.09718	2.5
91.03989	3.1
91.05478	19.5
93.07043	8.9
95.04981	19.1
95.08607	6.9
97.02895	8.7
97.06548	5.8
103.92281	2.7
104.91798	2.5
105.07031	16.4
107.04959	4.2
107.08592	7.3
109.02891	3.0
109.10143	6.9
109.70851	2.4
111.08094	9.3
112.14159	2.3
115.03976	3.5
117.03481	3.1
119.08587	12.4
121.10151	4.4
124.07613	2.8
127.03907	4.2
129.07010	4.7
131.08563	7.1
133.10132	7.3
136.07582	4.6
137.05992	8.9
137.09613	6.0
138.06357	2.8
140.07108	3.5
143.05656	36.2
145.02832	3.6
147.04446	4.7
147.11697	9.5
149.09700	3.9
152.07115	5.3
153.12755	2.6
157.10155	8.5
159.11734	2.5
164.07242	2.4
165.09145	5.0
165.12738	2.8
167.07053	12.8
175.11208	10.6
177.05473	16.9
182.99835	3.1
193.12242	42.2
207.06516	3.3
211.13286	36.8
215.00813	2.4
239.12749	3.5
253.09666	2.5
257.13693	3.9
267.15924	21.2
281.09265	3.7
285.16971	100.0
286.17401	3.3
289.14874	2.7
304.05298	2.8
359.12363	4.8
362.94888	2.7
418.44391	2.5
482.16928	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.0
55.05500	8.5
57.03427	6.0
61.02914	4.0
65.03924	2.4
67.05504	12.8
69.03432	4.8
69.07054	4.5
70.06580	4.4
71.04992	4.1
71.30444	2.0
79.05489	11.0
81.03415	34.5
81.07063	11.7
83.04974	7.0
83.08621	10.0
85.02904	15.2
86.09712	2.3
91.03909	2.4
91.05472	13.9
93.07032	11.8
93.86925	1.7
95.04966	15.1
95.08591	5.7
97.02868	4.2
97.06484	3.2
97.10168	2.1
97.20040	1.8
99.08038	2.1
105.07012	10.7
107.04916	3.3
107.08591	5.6
108.08110	2.9
109.06508	3.7
111.08094	6.1
117.03333	3.2
119.08556	8.4
119.09302	2.3
119.88384	1.8
120.08104	3.7
121.06530	1.9
121.10132	5.0
123.08076	1.8
123.11778	2.8
124.07616	2.7
127.03905	2.5
129.06990	3.2
131.08543	5.9
133.06436	2.0
133.10130	6.0
136.07588	17.7
137.05898	3.2
139.37900	2.0
140.06995	2.2
142.07660	2.1
143.05652	34.6
145.02846	2.8
147.11693	7.7
149.09618	3.4
157.10135	9.7
164.07082	6.2
165.12761	2.1
167.07053	5.3
175.11188	7.6
177.05460	7.8
185.09232	2.7
193.12234	27.3
211.13254	20.9
242.78592	2.1
253.09572	1.8
267.11374	4.0
267.15973	10.0
269.12729	2.9
274.13138	4.1
285.16965	100.0
286.17068	2.8
287.13885	4.2
305.15018	7.4
485.15277	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	482.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.05512	0.5
56.05024	0.3
62.07027	0.3
63.02382	0.4
63.48703	0.3
65.63026	0.3
69.03429	1.6
70.06597	1.7
71.44902	0.6
72.08161	0.6
79.05521	0.6
81.03428	1.3
82.57101	0.3
83.04965	0.4
84.04502	0.4
84.08140	0.5
85.02905	1.5
86.09708	1.0
87.06731	0.7
89.03915	8.4
91.05486	1.7
92.50745	0.4
93.07058	0.5
95.04943	0.7
95.08617	0.4
97.02891	1.0
101.43123	0.3
106.04202	0.6
107.08582	0.4
109.02881	0.7
111.04439	0.4
114.55447	0.3
115.58424	0.3
117.03381	24.9
118.03761	0.4
118.98296	0.4
119.04955	0.9
120.08128	0.4
121.02891	1.2
121.06470	0.4
127.03938	1.2
134.03606	2.0
135.04422	2.2
136.07603	0.7
137.05965	0.9
140.07068	0.4
143.05644	11.0
144.04060	8.0
144.05997	1.5
145.02847	52.9
146.03183	0.6
147.04404	1.0
149.05980	7.4
163.03868	1.2
166.05048	0.4
166.08685	0.4
175.03842	0.7
176.07059	0.5
177.05470	100.0
178.05798	1.5
182.08205	0.6
186.05544	1.3
193.12227	0.5
195.02977	0.6
195.06514	0.8
196.03171	0.5
198.98314	0.4
201.18831	0.3
203.03421	0.9
204.03777	0.7
204.06499	0.6
207.06470	0.8
222.04770	0.4
264.37680	0.4
295.05972	1.5
296.06378	3.0
302.12213	0.4
308.06253	0.6
310.08078	0.4
321.09598	1.2
322.07849	3.1
333.07330	0.6
334.07858	0.9
339.10669	1.4
348.09442	0.5
349.06909	1.5
350.07416	4.6
362.07251	1.4
380.08511	3.2
388.08499	0.4
391.07867	0.5
397.08942	1.4
398.09512	6.2
464.10416	1.0
464.17184	0.6
482.11105	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.5
56.96558	0.5
57.03421	0.4
69.03431	7.3
69.99911	0.7
70.00315	1.4
70.06600	1.2
72.08154	0.6
74.06076	0.4
81.03421	0.9
81.04536	0.8
84.04516	0.5
84.08134	0.8
85.02914	1.7
86.09699	0.8
87.06719	1.8
89.03912	5.1
91.05463	1.2
95.06068	0.8
97.02884	1.2
98.21445	0.5
99.04457	0.6
102.05587	0.4
103.05464	0.5
107.04968	0.6
109.02881	1.0
110.07154	0.5
116.98560	0.5
117.03381	17.1
119.04979	0.6
120.08105	0.5
121.02838	0.5
123.04367	0.8
124.07623	0.5
125.07087	1.0
127.03916	3.9
128.98653	0.4
129.10243	0.5
134.03648	0.9
135.04451	1.8
136.07565	1.6
137.05962	0.8
143.05643	55.6
143.08012	3.2
144.05855	0.4
145.02846	47.5
147.04399	1.2
149.05986	5.3
151.03865	0.4
161.05879	0.5
163.03906	1.5
164.07062	1.3
167.07040	0.4
170.84622	0.4
177.05469	100.0
178.05849	0.8
195.06561	0.5
201.05553	0.4
207.06551	1.7
226.12796	0.4
233.08063	0.5
240.06723	0.5
242.08157	1.5
249.34761	0.4
261.07510	0.9
265.11743	0.4
278.10168	0.5
289.11722	0.5
301.11789	1.4
305.10925	4.4
305.14066	0.7
319.04437	2.3
319.12924	1.0
319.18466	0.4
321.09793	5.6
339.10754	7.5
375.08316	0.5
445.15988	0.6
463.16977	0.6
481.11536	1.1
481.18002	2.4
492.43253	0.4
506.31006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
67.05527	0.3
69.03426	1.6
69.82386	1.8
70.06597	0.5
72.08191	0.3
72.68967	0.3
79.05487	0.3
79.57419	0.2
80.44882	0.2
81.03426	1.7
83.02451	0.3
83.04996	0.3
85.02895	1.0
87.06732	4.0
89.03922	2.5
91.05483	0.5
95.04975	0.5
97.02918	0.6
107.04918	0.6
107.54205	0.3
109.02859	0.7
110.07175	0.3
113.03459	0.4
115.05401	0.3
117.03379	8.3
119.04951	0.7
119.89427	0.3
121.02847	1.2
122.06058	0.3
123.04487	0.3
124.07634	0.3
127.03936	0.5
134.03642	0.5
135.04437	0.9
136.07570	0.4
137.02277	0.4
137.05986	4.5
141.04063	0.6
142.04926	0.3
143.05646	100.0
145.02847	19.8
149.05989	3.2
151.03925	1.9
153.01872	0.4
161.05974	0.3
163.03926	1.5
163.78757	0.3
177.05476	35.3
178.05815	0.4
186.05563	0.5
195.02890	1.2
203.03369	1.0
221.04318	0.4
222.06693	0.3
265.08731	0.4
285.66071	0.3
295.05991	3.5
297.11295	0.4
305.08167	0.3
305.11011	3.1
307.06009	0.6
309.07529	0.6
311.05591	0.4
315.12332	0.4
319.04236	0.6
319.07605	0.5
319.13104	0.3
321.06909	0.5
321.09723	1.6
333.07547	0.8
339.10883	2.9
349.07077	2.8
358.02811	0.3
361.06940	0.9
379.08118	2.9
397.04483	0.4
397.09244	4.3
438.32159	0.3
445.09097	0.3
448.09940	0.5
463.10013	0.7
481.10590	1.5
481.17023	0.7
481.26031	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	481.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01868	2.3
55.05499	2.8
56.96573	1.0
57.03440	1.4
65.03933	1.4
67.05502	8.1
68.99779	2.9
69.03423	2.2
69.07056	2.4
71.04996	1.5
71.60667	0.8
71.61034	0.9
78.04720	1.3
79.05492	7.6
81.03418	10.0
81.07048	10.4
82.07386	1.0
83.04976	2.6
83.08611	2.0
85.02903	1.6
85.06569	0.9
89.03879	0.9
91.05490	8.3
93.07038	6.8
95.04969	3.1
95.08630	3.8
97.02917	0.9
97.06515	2.0
97.10179	1.3
102.04643	1.2
103.05472	9.5
104.06252	2.8
105.03387	1.5
105.07042	7.5
107.04967	4.5
107.08567	4.6
109.02887	1.6
109.06532	1.7
109.10152	1.9
111.04454	1.5
115.05460	1.8
117.03381	2.3
117.07010	2.7
118.04146	1.9
119.04944	2.5
119.08595	3.4
121.02911	1.1
121.06508	3.0
121.10114	2.5
123.04414	3.1
123.11694	0.7
127.03951	1.7
129.06998	1.6
130.04129	2.0
131.04929	25.5
131.08565	2.7
132.05707	27.2
133.02831	5.0
133.06483	2.6
133.10121	1.7
135.04396	2.9
135.07967	0.9
135.11691	2.7
136.08412	0.8
137.02335	100.0
137.05971	2.9
141.07001	2.6
145.02795	1.1
145.06508	1.9
145.10152	2.2
146.03635	2.3
147.04413	5.9
147.08009	1.7
147.11713	1.2
148.05206	9.9
149.02362	1.3
149.05984	3.6
149.09534	1.2
149.13255	1.8
150.03226	1.1
151.03876	1.4
151.07538	1.0
151.45505	0.9
155.03386	4.0
155.04855	0.8
157.10136	1.5
159.04478	1.7
159.08055	1.3
159.11597	1.0
160.05190	12.9
161.05954	5.4
161.09642	0.8
162.06747	1.0
163.03879	7.7
163.07567	3.4
165.05522	1.9
165.06914	0.7
167.07047	14.6
169.06471	3.6
169.10149	0.8
169.12212	0.8
173.05997	2.8
175.03970	0.8
175.11061	0.8
176.04718	2.4
177.05475	13.3
178.06258	3.1
179.07010	2.6
180.07765	4.1
181.06541	1.8
185.05968	1.4
187.03896	4.6
187.07568	3.0
191.05666	0.5
191.07022	24.0
192.07811	63.2
193.08441	2.4
197.06012	6.9
201.05417	1.2
207.06584	2.1
209.08047	1.9
210.08781	1.7
215.07077	4.9
225.05540	2.7
226.06319	0.8
229.04967	5.1
243.06546	9.7
255.06407	1.3
271.06006	20.6
279.06589	1.4
281.08136	1.0
283.06244	0.9
297.07584	7.7
309.07635	2.8
327.08899	0.8
341.10156	1.7
353.10257	3.8
431.11053	3.8
445.29166	0.8
451.13898	2.8
463.13870	11.4
463.30182	0.9
481.14978	16.1
481.29877	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01871	2.8
55.05529	8.3
56.96558	3.3
57.03423	2.7
61.02913	3.0
65.71302	1.6
67.05505	17.0
68.99809	3.2
69.03421	5.4
69.07063	6.9
71.61230	2.6
79.05490	15.4
80.05840	1.9
81.03413	15.3
81.07067	21.0
82.07368	2.2
83.04987	3.4
83.08615	3.4
85.02878	4.0
85.06547	2.4
87.00889	1.8
91.05471	17.9
91.62317	1.6
93.07052	14.1
95.04971	8.1
95.08607	13.2
97.06532	4.6
98.97578	1.9
99.04453	2.7
99.08082	2.7
103.05458	5.0
105.03378	3.5
105.07028	11.9
107.04951	12.6
107.08585	6.1
109.02893	3.8
109.06514	3.0
109.10155	7.8
111.04483	3.1
115.05441	2.6
117.03332	3.1
117.07029	2.5
119.04955	4.1
119.08582	6.3
121.02853	2.5
121.06504	5.7
121.10148	4.9
123.04427	4.3
123.08032	2.8
123.11669	2.1
127.03925	3.4
129.07001	3.9
131.04935	12.9
131.08560	6.0
132.05730	13.0
133.02837	3.6
133.06485	7.7
133.10120	5.6
135.04419	3.4
135.08028	3.3
135.11653	3.8
137.02339	100.0
137.05971	6.2
137.09601	2.8
141.60445	1.8
145.06485	2.5
145.10130	3.4
147.04347	3.0
147.11685	6.0
148.05162	2.1
149.05954	7.9
149.13286	2.3
151.03973	2.6
151.07556	2.4
153.05460	2.0
153.07010	2.4
153.09157	3.5
154.06314	2.8
155.03377	5.7
157.10120	3.6
159.04362	1.9
159.11720	4.0
160.05200	5.2
161.06015	15.6
161.13228	2.2
163.03918	16.7
163.07443	1.8
165.05467	4.6
167.07051	27.1
169.06558	2.7
171.11717	1.7
173.05991	5.1
173.13290	1.9
177.05467	7.6
179.07059	5.2
180.07835	7.6
181.08565	3.3
182.09410	7.3
183.11665	1.8
185.06094	2.2
187.03918	14.0
187.07512	2.9
191.07018	6.9
192.07855	17.2
193.08614	18.0
195.11653	2.1
197.05949	10.1
201.05495	2.8
207.06450	2.3
209.08032	14.1
210.08824	14.9
215.07042	7.8
223.14818	1.6
225.05449	3.3
227.06865	1.8
229.05045	10.3
229.07062	1.9
235.27260	1.6
243.06602	9.4
255.06602	1.9
265.67148	1.9
271.06015	54.0
279.06409	5.4
297.07611	17.2
309.07642	2.5
309.77502	2.0
321.07669	2.6
327.08575	5.8
341.09927	2.2
346.31180	1.8
347.15097	2.1
353.10287	3.2
358.73773	1.9
445.12805	2.2
445.29309	2.4
451.13654	5.6
463.30722	2.6
481.14948	34.9
481.29706	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	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01871	2.1
55.05507	5.0
56.96540	1.2
57.03424	3.2
60.05636	1.2
61.02910	2.1
61.43223	1.0
63.42889	1.3
67.05511	7.6
69.03419	3.9
69.07052	2.4
69.90602	1.0
70.06622	2.4
71.04977	2.4
71.60827	1.5
72.08167	1.2
73.02914	1.7
79.05500	9.7
80.04988	1.2
80.81918	1.0
81.03407	3.5
81.07061	9.5
81.17097	1.1
83.04964	3.6
83.08604	2.8
84.04514	1.3
84.08141	1.7
85.02898	5.8
86.09689	3.4
87.00843	1.8
91.05466	4.8
93.07043	15.2
95.04959	3.2
95.08606	15.5
97.02888	3.4
97.06525	1.7
99.04476	2.8
105.07021	4.1
107.04929	5.6
107.08582	12.0
108.04479	2.0
109.02874	2.2
109.06473	1.5
109.10135	2.0
111.04426	1.6
117.07000	2.4
119.08589	4.5
121.06495	4.3
121.10159	8.4
125.06004	2.1
127.03879	3.6
131.08499	1.5
133.10156	1.8
135.11681	22.3
136.07574	1.2
137.05980	5.0
138.05473	1.7
139.07550	1.9
143.03403	2.3
143.05656	9.1
145.02855	2.0
145.10110	12.0
147.04388	1.8
150.05582	1.3
152.62753	1.0
163.03854	1.6
163.11179	32.4
164.07033	1.4
167.07028	3.0
168.68517	1.2
177.05495	3.0
181.12213	4.4
188.04756	1.2
189.00742	1.2
207.06479	1.5
227.12778	46.4
283.15396	100.0
284.15671	1.8
286.17612	1.5
303.04788	1.3
317.06613	3.6
318.06689	6.0
480.17429	1.7
480.30481	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
54.22942	1.1
55.01869	2.2
55.05505	3.1
56.96553	1.4
57.03436	8.6
58.63273	1.2
61.02918	1.3
69.03433	6.9
69.30443	10.8
70.06585	4.7
71.01347	1.1
71.04994	71.3
72.08147	2.5
73.02918	2.4
75.04470	5.7
78.29172	1.3
79.05466	1.3
81.03414	2.6
81.07064	1.6
83.04971	10.8
84.08136	4.1
85.02903	100.0
86.06099	1.3
86.09708	3.2
87.04459	3.1
91.05470	2.2
93.07037	1.5
95.04977	2.2
96.08087	2.3
97.02885	5.3
98.20778	2.7
98.97589	1.9
99.04448	2.6
103.03917	1.5
109.02850	3.8
109.10105	1.3
111.04455	7.3
111.05127	1.3
116.90363	1.1
119.04980	1.8
120.08124	1.6
121.06493	2.7
123.04419	6.9
124.07599	9.2
127.03905	5.6
129.05481	43.3
130.13586	1.3
134.09801	1.2
135.04477	2.6
136.07593	2.0
137.02322	17.4
137.05957	2.8
137.06964	1.2
138.05511	1.3
139.03874	2.1
139.07532	1.7
142.08615	3.0
143.05663	3.4
145.02858	1.5
145.04897	3.6
147.04399	3.5
147.06523	19.5
149.02306	1.4
151.03934	2.0
155.03389	29.0
159.02982	1.2
161.06021	1.9
163.03874	4.3
167.03403	2.9
167.06967	1.5
175.03914	2.4
177.05511	3.4
179.03400	3.2
186.45770	1.2
201.05264	2.0
203.03403	1.8
207.06505	4.2
221.04488	1.4
229.04967	2.4
229.07077	1.6
242.10075	2.0
245.04501	1.9
247.06015	5.4
255.08594	1.5
265.07071	5.5
273.09558	1.5
281.06537	1.6
283.08133	2.8
283.16391	2.8
300.19113	1.7
318.06940	2.6
318.20221	4.9
319.12915	1.8
363.10098	1.2
433.06793	1.3
480.18158	17.8
481.12827	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.6
56.96564	1.6
57.03423	1.8
60.04519	1.8
61.02921	2.9
62.06086	3.1
69.03431	10.3
70.06580	4.5
70.16540	2.5
70.16955	3.9
71.04987	1.4
73.02888	1.8
81.03419	3.2
85.02499	1.3
85.02912	17.1
87.04420	1.9
89.03948	1.2
94.06554	1.4
97.02910	8.0
97.03436	1.3
98.20790	1.3
99.04433	1.6
106.27058	1.3
109.02888	3.2
112.07599	1.5
122.06035	2.6
123.04419	1.5
127.03913	6.7
135.04419	1.3
136.07539	1.3
138.09137	3.1
139.03886	4.0
140.07057	5.1
141.06958	1.6
142.04797	1.8
145.02853	1.9
145.04880	2.1
147.04373	3.1
148.11201	1.8
149.05927	1.6
153.06998	2.5
155.08540	3.2
163.03909	4.8
165.06973	16.2
168.05699	1.5
169.06441	3.2
177.05482	2.5
181.06508	6.2
182.08125	4.1
183.06485	2.7
183.08057	41.1
183.09686	2.4
187.07613	1.9
193.06276	3.5
193.07809	2.4
209.05937	14.4
211.07547	23.8
221.07127	2.4
227.07047	5.6
237.03159	1.0
237.05437	31.5
241.05000	1.8
245.06401	1.8
254.08063	2.1
255.06526	92.2
256.06802	2.0
259.05902	2.2
272.09174	26.7
272.11957	2.6
282.07541	5.2
283.05988	4.0
287.97171	1.4
300.08649	4.1
301.06979	6.4
318.09714	100.0
319.10419	2.0
326.12289	3.5
360.11002	2.4
417.74136	1.7
431.05887	1.8
462.14890	1.7
481.13129	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	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30914	6.4
53.03943	20.9
55.01871	17.4
55.05516	37.7
56.14296	5.8
56.39918	6.1
56.96576	9.1
57.03440	38.1
57.94852	6.3
67.05495	94.1
69.03419	45.4
69.07066	37.7
70.28532	25.1
71.04972	10.1
73.02910	12.1
77.48634	6.8
77.63922	6.7
79.05489	83.4
81.03430	56.9
81.07059	97.6
83.04980	22.5
83.08616	18.5
85.02875	31.6
91.05487	65.1
93.07039	76.1
95.04974	28.4
95.08622	57.8
97.02901	17.5
97.06557	15.0
97.10145	7.0
99.04484	10.9
105.07034	66.2
107.04945	10.5
107.08604	47.5
109.02881	19.7
109.06516	20.9
109.10154	27.6
111.07993	6.7
114.56474	6.3
117.07032	17.3
119.08595	43.7
121.10149	34.9
123.11718	15.3
127.03883	16.8
129.05461	7.7
129.06992	11.5
131.08565	39.3
133.06516	9.1
133.10170	38.6
135.08064	11.7
135.11705	26.8
143.08575	20.4
145.10136	24.1
147.08102	11.0
147.11708	33.4
149.09619	9.3
149.13237	18.4
153.72890	6.2
155.08612	11.0
157.10155	17.4
159.11754	22.2
161.13246	9.3
165.12741	9.1
169.10172	10.2
173.13310	10.4
175.11212	11.6
185.13310	10.7
197.13280	8.9
211.13210	8.6
213.12691	9.5
261.22214	11.2
335.25613	9.5
341.24652	7.7
345.24249	9.8
369.24115	12.8
379.13354	7.1
387.25296	18.2
443.27661	16.1
461.23480	7.5
461.28882	49.7
479.30066	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.9
55.01878	11.9
55.05516	31.4
57.03191	2.9
57.03442	37.5
57.07080	3.5
59.04988	2.2
61.02924	4.6
65.03940	5.4
67.05509	78.0
69.03082	4.3
69.03432	38.4
69.07071	26.5
69.62687	19.5
71.01326	3.1
71.05002	12.4
73.02894	6.3
75.04475	3.3
78.29401	2.3
79.05496	67.2
81.03426	39.6
81.07059	100.0
83.04984	21.5
83.08625	19.0
85.02501	3.1
85.02919	29.8
85.06555	6.7
87.04475	7.1
91.05481	63.3
93.06479	4.2
93.07049	70.9
95.04977	38.5
95.08611	57.2
97.02885	13.9
97.06516	14.1
97.10155	8.9
99.04474	13.1
99.08063	3.2
103.03930	11.0
105.07033	62.0
107.04954	11.5
107.08594	39.3
109.02874	15.0
109.06553	13.0
109.10162	22.2
111.04447	9.9
111.08055	5.8
115.03920	3.8
115.05453	5.6
117.05507	2.9
117.07021	25.7
119.08577	42.2
121.06495	6.9
121.10138	28.3
123.04401	4.5
123.08074	4.0
123.11712	6.7
125.09617	4.8
127.03916	23.2
128.06210	3.7
129.05457	8.1
129.07024	16.5
131.04840	2.5
131.08569	36.6
133.06494	8.0
133.10133	29.2
135.08038	8.3
135.11720	20.4
137.05978	3.7
137.09615	6.2
141.06993	4.7
142.07794	3.2
143.08559	16.8
145.05006	4.5
145.06494	9.7
145.10144	28.3
147.08055	10.4
147.11676	23.7
149.09624	6.3
149.13284	15.6
151.11166	3.2
155.08527	8.8
157.06512	4.3
157.10065	12.6
159.07993	5.1
159.11723	22.2
161.09660	6.5
161.13287	8.4
163.11171	5.4
163.14874	3.1
165.12741	3.1
167.08476	3.8
169.10155	11.1
171.08011	4.7
171.11726	11.6
173.09563	4.5
173.13243	13.8
175.11194	10.4
175.14796	5.8
183.06619	5.1
183.08058	3.3
183.11699	8.7
185.09618	4.2
185.13249	6.9
187.11220	4.0
187.14827	5.0
193.12259	12.6
195.13695	3.7
197.13271	7.4
199.11171	3.3
199.14813	6.1
201.07593	3.1
201.12701	4.6
209.13312	3.3
210.45572	2.6
211.13275	9.5
213.16394	3.1
215.14372	3.1
215.18098	3.1
259.20624	5.9
261.22150	7.2
267.15796	5.2
273.22073	6.0
277.21823	2.6
285.22067	6.4
289.21729	3.2
297.22098	4.0
301.21582	5.9
303.23117	8.3
303.98102	2.8
315.23206	5.5
327.22836	3.0
341.24750	6.8
343.22601	5.3
345.24280	5.2
351.23209	9.4
357.24149	3.0
369.24316	26.6
375.25336	3.4
387.25125	20.2
392.13779	2.9
431.27881	4.4
443.28006	18.7
461.28986	43.3
479.30069	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01851	0.7
55.91815	0.4
57.03435	0.8
61.02921	1.3
69.03435	2.2
70.01621	2.2
71.04981	0.4
77.35278	0.4
81.03436	2.1
85.02913	7.4
92.02630	1.5
93.03414	1.1
97.02905	2.5
98.20783	0.5
109.02911	0.9
109.97079	0.4
121.02894	0.8
126.03136	0.6
127.03931	1.9
139.03891	0.8
141.83379	0.4
145.04964	0.6
151.03928	0.6
153.00574	0.6
153.01823	9.1
165.01811	0.9
179.03368	0.4
201.05513	1.4
203.03455	0.5
217.05046	0.9
219.02913	0.5
228.04181	1.3
229.04970	2.6
245.04439	1.6
246.05231	1.9
256.03833	0.4
257.04410	2.3
260.03067	0.5
271.06064	0.5
273.03922	1.8
274.04712	4.6
285.03967	3.7
302.04208	15.1
317.06567	100.0
318.06967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.01857	0.3
57.03428	0.7
57.46057	0.2
61.02921	2.7
61.96694	0.2
65.03930	0.2
68.99794	0.3
69.03085	0.2
69.03429	3.2
69.07087	0.2
70.06594	0.2
70.84805	0.2
71.04968	0.4
71.59187	0.2
71.60895	0.4
71.61263	0.2
72.08106	0.2
73.02908	0.5
81.03417	1.6
81.07059	0.3
85.02905	6.9
86.09718	0.3
87.04460	0.3
91.03943	0.8
91.05494	0.3
92.02602	0.8
93.03397	1.3
95.04928	0.3
95.08576	0.2
96.82977	0.2
97.02888	3.0
99.04393	0.3
105.07003	0.2
107.08593	0.3
109.02879	1.1
109.50515	0.2
111.00768	0.2
115.98004	0.2
118.91001	0.2
119.08617	0.3
120.08110	0.2
121.02845	1.1
126.03135	0.5
126.29448	0.2
127.03922	1.2
133.02856	0.3
135.04425	0.4
136.07584	0.5
137.05965	0.5
139.03893	0.5
145.04955	0.9
150.03102	0.4
151.03876	1.1
151.07555	0.2
153.01823	9.1
155.04907	0.2
163.03880	0.3
164.07065	0.3
165.01848	0.6
165.05481	0.4
166.02628	0.2
177.05457	0.4
183.02866	0.3
183.04369	0.2
186.09181	0.4
200.04678	0.2
201.05472	1.0
203.03404	0.5
217.04953	0.6
218.05739	0.7
228.04190	1.7
229.04971	3.7
231.02838	0.5
243.06563	0.3
245.04471	1.4
246.05235	1.7
256.03650	0.3
257.04404	2.8
260.03159	0.5
261.07532	0.4
271.05966	0.8
273.03931	1.6
274.04712	4.3
284.03076	0.6
285.03934	3.4
287.01926	0.3
287.05258	0.3
299.05612	0.2
301.03043	0.3
302.04208	14.1
303.04645	0.3
317.06549	100.0
318.06873	1.4
329.06616	0.5
359.07510	0.6
383.07632	0.3
479.11905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.8
69.03425	1.4
70.01617	2.5
71.04980	0.4
72.08169	0.5
73.02908	0.8
81.03415	0.8
85.02913	4.8
91.03946	2.0
91.05482	0.4
92.02645	1.0
93.03414	1.1
97.02896	3.4
98.20822	0.7
102.70465	0.4
109.02885	0.6
118.05391	0.4
121.02853	1.3
126.03082	0.8
127.03915	1.1
137.02335	0.4
139.03899	1.0
143.05637	0.6
147.63712	0.4
151.03940	1.3
153.01828	8.3
161.06013	0.6
165.01880	0.7
201.05492	1.1
203.03383	0.5
217.04967	1.0
228.04190	1.6
229.04980	2.9
231.02803	0.5
235.46410	0.4
243.06572	0.5
245.04462	1.4
246.05241	1.6
257.04428	2.2
260.03217	0.4
268.07480	0.4
273.03955	1.8
274.04712	4.5
284.03192	0.6
285.03949	2.8
302.04218	14.1
317.06570	100.0
318.06995	2.1
379.99686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10403	5.5
69.62217	49.0
94.93037	6.5
98.21486	13.0
102.73531	7.1
105.34006	6.3
111.27573	5.8
114.89336	15.5
136.94023	100.0
148.94066	23.1
166.95105	36.0
180.89417	7.4
196.95302	25.4
214.89449	10.6
214.96289	8.5
219.83521	6.8
227.67349	6.3
256.90448	9.8
256.98004	27.8
381.07925	84.5
419.03406	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1182
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
54.86156	0.5
56.17209	0.5
57.03428	1.1
57.03952	0.5
58.38003	0.6
68.83807	0.5
68.99793	0.5
69.03411	1.5
69.99874	2.7
70.06581	1.8
71.04990	0.9
72.08131	0.7
79.05489	0.6
81.03395	1.3
83.04947	0.8
84.08112	0.6
85.02910	4.2
86.09706	1.1
89.07222	0.5
89.38917	0.6
91.05460	1.3
93.07045	0.7
95.04964	1.0
97.02895	2.0
107.01345	0.6
111.04444	1.0
119.04906	0.9
121.02863	0.8
121.10188	0.7
123.04461	0.9
127.03929	1.6
129.10165	0.6
131.04869	0.9
135.04440	1.2
136.07574	1.0
137.02319	1.4
137.05927	1.0
139.03856	0.9
139.11192	0.6
143.05652	1.3
147.04472	0.6
149.05997	0.7
150.03145	1.4
151.03979	0.8
153.01819	8.3
163.03868	1.7
173.05994	1.2
177.05484	1.5
179.03404	1.0
191.03398	2.8
201.05499	3.6
203.03333	1.5
204.04207	0.7
204.67215	0.6
205.04987	2.4
209.04485	0.7
211.03894	0.8
213.05447	1.4
215.07166	0.9
228.04210	0.7
229.04955	10.1
231.02754	0.8
232.80571	0.6
233.04366	0.6
241.04973	1.2
243.06511	1.1
243.08771	0.7
244.09592	2.0
245.04329	0.5
257.04404	11.5
261.07538	0.9
271.06058	2.8
284.03174	1.6
285.03937	10.8
299.05649	1.0
302.04169	4.1
311.05286	0.7
317.06546	100.0
318.06912	1.0
379.16269	1.0
461.08868	0.6
461.15814	0.8
479.10037	2.9
495.44980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
53.03946	1.1
55.01864	1.1
55.05512	15.4
56.96559	1.5
57.03436	8.0
57.07076	1.5
60.67334	0.9
62.06089	1.5
65.03929	1.9
67.05505	31.1
67.05869	1.5
67.38595	0.8
69.03454	1.1
69.07067	21.6
69.53251	7.4
71.05012	1.3
71.08611	0.9
79.05484	7.0
81.07053	29.8
83.04943	1.1
83.08621	10.1
85.02938	1.1
85.05301	1.4
85.06535	1.5
91.05450	6.3
93.07035	9.0
95.04947	1.1
95.08608	22.3
97.02896	0.8
97.06538	1.6
97.10177	4.4
98.06045	8.9
98.98418	1.1
101.31247	0.9
105.07027	5.5
107.08597	4.0
109.10153	8.8
111.08042	1.0
111.11684	0.9
119.08604	4.4
121.10141	4.0
121.10951	0.8
123.08054	1.4
123.11678	3.3
125.09627	1.1
133.10136	2.7
135.11671	2.2
137.13235	1.5
147.11690	2.9
149.13147	0.9
161.13281	1.3
175.14836	1.2
200.20103	1.2
306.27890	83.2
307.28268	2.7
324.29138	0.9
337.27365	100.0
338.27753	2.5
391.10031	1.0
478.28708	1.2
478.38614	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56441	1.4
53.03942	5.0
55.01866	8.0
55.05502	5.1
56.96563	1.5
57.03428	6.3
57.07093	6.8
61.02923	8.4
63.05941	1.5
67.05515	10.0
68.99802	2.0
69.03431	32.6
69.03807	1.8
69.07055	7.2
70.06580	2.2
71.04988	4.7
71.05972	3.4
73.02910	5.5
79.05491	36.8
80.05856	1.6
81.03420	24.2
81.07050	11.3
83.04979	10.6
85.02908	83.9
87.00835	32.3
89.03948	1.3
91.05480	13.6
93.07050	34.2
95.04973	4.6
95.08621	8.3
97.02902	26.8
97.06520	4.2
99.04470	11.3
105.01184	2.8
105.01869	49.0
105.07027	5.7
107.04950	5.5
107.08595	15.1
109.02882	27.3
109.06516	2.0
109.10146	2.1
111.08096	2.3
117.01874	1.3
117.03384	3.3
117.07027	3.4
118.07329	1.7
119.04937	2.7
119.08577	2.5
121.06532	2.7
121.10146	4.4
122.06015	3.2
123.04468	1.6
123.08076	2.0
125.05996	18.2
125.09528	2.2
126.05502	2.6
127.02956	2.9
127.03916	61.7
129.01830	3.5
129.07014	1.6
131.08524	3.4
133.10126	14.6
134.03542	1.9
135.08020	1.9
135.11691	100.0
136.06189	4.7
136.12038	1.8
137.05994	5.8
139.07544	12.4
143.05646	5.3
145.02855	5.8
145.04959	22.7
145.10103	2.6
147.04469	2.6
149.06018	2.4
149.13281	10.2
151.03967	1.6
151.07506	1.7
153.05464	10.3
153.09056	3.2
153.12686	3.9
159.02892	11.3
159.11711	6.3
165.07156	1.5
167.07024	5.1
177.05461	14.0
177.12761	15.9
187.14816	2.0
195.13809	89.5
196.14241	1.7
197.05685	1.6
207.06538	2.6
213.03967	4.7
213.14722	2.2
231.05014	18.8
249.05969	3.5
297.04303	1.5
298.10916	2.0
316.09045	2.4
317.06555	2.7
368.22818	2.5
386.24124	3.0
402.62970	1.5
425.18097	1.9
435.19745	3.1
460.27417	1.9
478.15906	1.4
478.28513	2.7
479.19025	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	478.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97592	0.6
53.03939	1.3
55.01859	1.5
55.05513	7.0
57.03443	4.7
57.26676	0.8
63.50584	0.7
67.05502	15.0
68.05830	1.8
69.03423	1.1
69.06769	0.8
69.07066	7.8
70.14561	2.9
71.01344	1.0
71.04987	2.2
73.02921	1.1
79.05486	10.3
80.05830	0.8
81.03420	3.5
81.06582	1.7
81.07054	31.3
82.03719	0.9
82.07372	2.0
83.04971	3.1
83.08622	5.1
84.05262	0.7
84.08868	0.8
85.02905	6.1
85.06531	1.4
91.05472	12.3
92.05811	0.7
93.07045	5.4
94.07371	1.1
95.01311	1.6
95.04985	3.9
95.08603	9.2
97.06506	3.0
97.10190	1.7
98.21438	1.2
99.08094	1.0
105.07024	14.0
106.07359	1.4
107.04931	2.3
107.08598	6.4
109.06504	3.3
109.10136	1.6
111.04432	0.8
111.08067	1.1
113.02383	1.6
117.07067	1.5
119.08585	12.0
121.06489	1.6
121.10134	7.6
123.08061	2.3
123.11702	8.9
125.09607	1.9
127.07515	1.3
128.06288	0.9
129.07004	1.9
131.03392	1.3
131.08542	2.0
133.10115	2.7
135.11703	0.9
141.01810	3.2
145.10104	1.4
147.11685	24.4
149.09622	1.0
149.13309	1.0
157.10133	2.3
165.12756	10.5
166.13068	0.9
171.11684	0.8
175.11197	2.1
183.13808	0.9
189.11131	1.3
193.12219	1.7
194.12602	1.2
207.06261	0.8
212.13678	0.8
227.12802	1.3
229.14322	1.9
250.14679	0.8
267.15912	100.0
268.16235	3.6
285.16956	25.8
285.20172	1.2
350.21927	1.0
368.22995	3.3
386.23932	3.5
404.25320	1.1
405.63699	0.7
443.19452	1.1
460.27716	5.6
478.28864	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	478.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.5
56.96561	0.7
61.02913	0.8
67.05481	0.7
69.03394	1.9
70.04435	1.4
70.04839	1.9
71.04958	0.6
72.08102	0.7
79.05479	0.8
81.03379	1.3
81.07049	0.7
82.56330	0.5
84.08138	0.9
85.02904	3.6
88.03947	0.5
91.05455	1.6
93.07044	0.8
95.04973	0.6
97.02887	1.1
97.13250	0.6
104.03594	0.6
105.07031	0.7
107.08593	0.5
108.08022	0.6
109.02841	1.0
110.06014	2.5
119.04912	1.7
120.08111	0.7
123.04466	0.8
124.07569	0.8
127.03917	1.2
139.40747	0.5
143.05656	3.0
147.04396	2.3
168.58252	0.7
174.10365	0.9
175.03967	3.2
177.05464	0.9
183.10851	1.7
184.02751	0.9
195.10181	0.6
202.03801	1.0
205.62750	1.1
207.06511	7.2
214.63297	2.5
219.13376	1.5
223.63789	3.1
224.14032	0.8
228.13834	13.9
228.64020	2.0
237.14378	24.6
237.64513	4.8
246.14917	100.0
246.65071	17.3
264.13898	0.8
266.66309	0.9
290.08508	0.6
301.06665	0.7
303.05103	1.0
315.08701	2.1
316.08945	4.1
317.06409	1.4
318.03610	0.6
355.18246	1.0
369.11880	0.7
425.24866	0.7
477.33200	26.1
478.33466	35.0
491.29044	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33422	3.4
55.05494	4.4
57.03436	10.1
59.84562	3.7
61.02928	3.9
62.40781	4.5
67.05493	3.8
69.03432	14.0
70.06599	6.4
71.04997	70.4
71.60583	4.8
74.06053	3.8
75.04472	5.1
79.05506	3.3
80.81995	4.0
81.03426	4.0
81.07053	4.0
83.04987	12.2
83.06097	9.8
84.08141	8.2
85.02907	99.8
86.09714	6.1
91.05487	10.2
92.05024	3.7
96.15589	3.5
97.02892	9.9
107.04964	4.0
107.08575	4.2
109.02914	4.8
110.06039	10.4
111.04466	6.5
116.98618	4.3
119.04927	10.9
121.02888	8.0
121.06535	4.5
123.04430	5.9
127.03935	12.9
129.05475	34.9
133.02878	3.6
138.05519	4.0
143.05701	4.1
147.04413	10.2
147.06532	17.8
153.01901	10.7
153.05484	12.6
167.07057	4.5
167.10811	3.7
168.83926	3.2
175.03934	18.4
177.05557	7.2
187.80499	3.2
207.06529	29.5
228.04185	3.7
229.05014	5.0
234.19203	3.5
243.08800	11.5
244.09618	26.5
257.04480	6.9
285.03906	5.1
299.05624	3.9
302.04260	14.2
305.64160	3.4
316.05579	4.2
316.08911	5.1
317.06595	100.0
378.15305	7.7
379.16223	9.5
478.17841	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	477.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	4.1
55.05510	87.4
57.03426	10.9
57.07058	4.1
65.03956	3.0
67.05505	98.3
69.03421	5.9
69.07071	30.5
71.04980	5.9
71.60884	3.0
73.70062	2.8
74.46243	2.2
79.05494	79.9
81.03407	7.3
81.07058	100.0
83.04976	11.5
83.08612	34.4
85.06564	4.6
91.04962	3.8
91.05480	44.6
93.07047	59.1
95.04971	12.2
95.08607	86.6
97.06520	11.2
97.10171	46.5
105.04510	3.2
105.07041	27.5
107.04947	7.8
107.08592	52.3
108.08952	3.2
109.06523	7.0
109.10152	27.3
111.08102	5.7
117.07025	14.1
119.08587	21.6
121.06499	5.5
121.10149	29.0
123.04372	2.6
123.08037	2.9
123.11688	10.1
125.09637	40.0
129.06993	6.6
131.08539	17.1
131.43198	2.3
133.10130	14.4
135.08115	3.4
135.11700	21.2
135.84682	2.2
143.08540	5.5
143.10709	7.6
145.06470	5.6
145.10097	14.6
147.11684	13.3
149.09644	4.8
149.13242	9.8
155.08519	3.4
157.10181	5.7
159.10211	4.9
159.11716	9.3
161.13255	6.7
163.11136	5.7
163.14861	6.2
169.10196	2.9
171.11707	4.8
173.13264	8.8
175.14624	3.0
183.11763	2.9
185.13292	3.8
187.14857	3.6
191.10593	3.8
199.13243	8.1
227.12761	8.0
241.14322	3.0
243.21114	3.3
259.20554	4.0
261.22131	16.9
263.23727	4.5
335.25812	3.6
337.27011	4.7
349.21729	3.3
357.24326	3.6
363.03110	3.2
367.22549	7.8
367.30182	3.5
369.74631	3.0
385.23788	15.7
385.30902	8.8
403.24329	2.9
403.31863	7.7
459.27292	12.8
459.34476	9.5
477.28400	21.4
477.35623	85.5
478.29196	3.4
478.36346	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	477.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
55.01868	7.9
55.05512	47.0
57.03428	10.7
65.03947	5.3
66.32186	3.4
67.05502	96.9
69.03426	3.3
69.07063	29.7
69.23402	2.6
69.99961	2.6
71.04974	8.1
79.05492	81.9
81.03416	11.7
81.07053	100.0
83.04992	8.4
83.08624	23.0
85.02905	4.4
85.06530	6.3
87.25739	2.5
91.05476	85.7
93.07046	71.6
95.04979	22.4
95.05862	2.8
95.08601	60.8
97.06526	10.4
97.10159	23.9
103.05474	3.8
105.07027	77.7
107.04933	15.9
107.08597	47.3
109.06506	10.3
109.10151	22.3
111.08100	6.5
114.37914	2.8
115.05451	4.6
117.07014	41.0
119.04912	5.5
119.08581	52.4
121.06490	14.4
121.10141	25.1
123.04358	3.1
123.08049	9.4
123.11723	7.1
125.09608	13.8
128.06181	6.0
129.06999	24.1
130.07828	4.0
131.08568	62.4
132.32121	2.8
133.06505	8.5
133.10127	26.5
135.04436	3.4
135.08083	8.6
135.11703	14.2
137.09615	5.3
141.06985	8.5
141.09111	2.9
142.07747	3.0
143.08559	24.3
145.06483	9.0
145.10135	39.8
147.08076	8.0
147.11694	12.2
149.09624	8.7
149.13234	10.3
151.11198	5.5
154.07733	3.1
155.08524	14.6
157.10114	20.0
159.08064	4.5
159.11705	13.4
161.09689	3.6
163.11227	10.4
167.08565	4.5
169.10141	13.4
171.07979	4.1
171.11671	16.9
173.09637	6.1
173.13313	6.5
175.11209	5.1
177.12787	6.3
181.10100	5.9
183.11772	5.3
185.13251	8.1
187.14842	6.8
189.11218	7.3
191.10666	4.2
193.12308	3.3
195.11766	3.5
195.13734	3.5
197.13264	8.4
199.14836	7.7
207.13710	3.6
209.13324	5.4
211.14882	5.1
215.14328	9.3
227.12703	7.5
233.15387	8.2
261.18582	8.2
279.16101	3.3
306.27859	18.6
322.70578	3.0
325.25275	9.1
335.23624	10.1
343.26291	8.2
349.21466	3.1
353.24692	28.1
367.22717	9.5
371.25787	25.2
385.23657	10.0
385.27753	5.1
389.26697	7.6
403.28613	34.7
445.29431	10.7
459.26846	15.0
477.27994	23.5
477.32535	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01873	14.9
55.05510	62.9
57.03447	11.8
59.04998	2.5
62.29532	1.7
64.76292	1.6
65.03940	4.1
67.05506	55.5
68.77708	1.8
69.03429	9.3
69.07066	16.9
69.29787	19.8
71.04984	6.4
79.05493	70.6
81.03416	34.2
81.07056	60.9
83.04971	8.2
83.08615	32.9
85.02894	2.3
85.06554	3.2
91.05479	43.4
93.07040	40.3
95.04964	26.5
95.08049	2.8
95.08603	23.3
97.02930	1.9
97.06528	7.2
97.10171	55.3
98.20725	3.7
99.08061	1.9
103.05472	2.3
105.07027	33.3
107.04958	33.8
107.08598	37.7
109.06540	8.8
109.10159	14.7
111.04412	2.4
111.08083	8.1
113.61723	1.6
115.05444	4.8
117.07011	17.3
119.04966	3.5
119.08574	19.8
121.06503	25.4
121.10142	9.1
123.04422	4.8
123.08063	10.4
123.11715	3.8
125.05981	4.0
125.09634	35.8
128.06203	3.3
129.07013	14.5
129.41808	1.8
131.04941	6.2
131.08572	19.4
133.06477	10.8
133.10101	8.6
135.08054	11.7
135.11632	3.4
137.09618	4.3
141.06970	3.9
142.07820	2.4
143.08575	10.7
145.06506	17.7
145.10120	11.5
147.04410	6.2
147.08072	10.6
147.11659	11.0
149.09639	7.4
149.13252	3.1
151.07474	2.8
153.09134	11.7
153.12724	3.6
153.84955	2.0
155.08551	5.5
157.06500	6.2
157.10124	10.5
159.08058	6.0
159.11717	5.5
161.05994	4.0
161.09636	5.6
163.11218	6.1
165.07162	1.7
165.12810	3.2
169.10107	5.1
171.08092	8.7
171.10280	2.2
171.11667	7.0
173.09621	5.7
173.13269	4.1
175.07556	2.6
175.11185	9.1
177.12772	3.6
181.10231	2.2
183.11749	2.7
185.09650	2.7
185.13248	5.5
187.11163	4.1
187.14790	5.2
189.09508	3.1
189.11226	25.9
189.12810	5.3
193.12251	22.4
195.11736	4.5
195.13593	2.3
197.09688	3.2
197.13306	4.7
199.11201	7.7
203.14253	2.1
205.12294	5.3
211.11203	2.1
211.13248	4.9
213.12772	3.6
215.14375	8.9
217.12262	5.4
223.11234	3.5
223.13176	3.9
225.12834	2.0
227.12637	13.1
233.15366	18.5
235.13437	2.6
237.12682	3.6
237.30487	1.8
241.12097	2.8
241.14359	6.9
249.14787	2.8
255.13754	4.4
257.15494	2.2
259.13211	3.1
267.15878	11.2
271.16891	2.5
273.14841	22.2
287.16534	3.7
291.15869	6.8
299.16339	2.6
321.22281	3.4
331.20349	2.5
339.23148	8.9
349.21631	21.7
357.24216	11.7
367.22656	59.8
385.23737	100.0
386.24240	2.9
403.24799	27.7
433.25497	2.8
441.26398	6.7
459.27417	68.7
460.27826	3.9
477.28430	55.5
478.28793	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	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
54.43111	2.2
55.01878	16.9
55.05512	63.1
57.03433	14.9
57.07059	1.9
59.04987	3.3
61.44627	2.1
65.03957	3.8
67.05506	55.6
69.03429	9.9
69.07066	20.4
71.04984	2.5
79.05493	66.1
81.03420	38.1
81.07066	60.8
83.04979	12.5
83.08617	37.6
85.02924	3.3
85.06551	4.0
91.05480	41.6
93.07047	40.5
95.04964	28.4
95.08605	31.3
95.85172	1.9
97.02923	3.5
97.06539	9.6
97.10172	50.1
98.20698	4.1
105.03398	2.7
105.07028	34.7
107.04962	39.7
107.08596	30.9
109.06535	10.0
109.10175	14.1
111.08081	7.6
115.05469	5.2
117.07023	17.6
119.04980	4.5
119.08583	25.5
121.06504	42.4
121.10168	11.8
123.04414	3.1
123.08055	12.8
125.09639	39.8
128.06206	4.3
129.06989	19.7
131.04903	6.6
131.08565	23.2
133.06494	15.8
133.10139	9.7
135.04448	3.2
135.08038	16.4
135.11693	6.3
137.06023	2.6
139.07617	3.0
141.07002	5.6
143.08545	13.7
144.05653	2.9
145.06503	20.0
145.10143	13.7
147.04414	3.8
147.08052	14.4
147.11681	12.4
149.09613	8.1
153.09108	9.6
153.12756	3.7
155.08588	9.6
157.06503	6.4
157.10136	10.8
159.08081	8.9
159.11728	7.8
161.05992	5.5
161.09663	4.9
163.11211	9.8
167.08534	5.3
169.10161	6.1
171.08087	6.3
171.10255	4.1
171.11658	6.2
173.09621	5.2
175.07610	2.8
175.11221	8.0
177.12779	6.3
181.10201	3.5
185.09668	4.0
185.13268	4.8
187.11230	8.0
187.14865	4.9
189.11252	24.8
189.12791	3.9
191.10718	2.9
193.12260	27.5
195.11761	4.2
197.09586	2.5
197.13347	4.4
199.11255	5.3
203.06868	2.2
205.12311	5.6
209.09761	2.8
211.13251	6.2
215.14323	12.1
217.12137	3.1
221.11679	2.8
223.13107	3.5
225.12772	3.9
227.12662	17.4
231.13919	2.6
233.15314	19.7
235.13327	3.4
237.12802	5.4
241.14345	5.2
245.15419	6.6
249.14899	6.2
253.16083	3.4
255.13913	4.7
259.13220	4.1
261.14697	3.8
267.15805	10.7
273.14816	18.7
290.39191	2.3
291.15601	2.6
321.22021	3.0
339.22958	11.0
341.21008	4.3
349.21664	20.9
357.24277	14.9
367.22711	54.7
369.24561	2.3
385.23764	100.0
403.24918	32.5
433.25711	5.6
441.26343	7.0
459.27451	88.3
460.27551	4.5
477.28491	71.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01878	10.8
55.05514	66.4
57.03425	5.9
59.05001	2.1
65.03956	2.2
67.05509	48.2
69.03429	5.1
69.07077	13.4
69.79391	10.4
71.04996	3.3
79.05499	55.3
81.03428	13.0
81.07061	41.2
83.04964	10.0
83.08621	28.9
85.06543	3.9
91.05486	30.3
93.07050	25.3
95.04984	21.3
95.08606	20.7
97.06535	7.7
97.10172	50.9
101.09604	1.5
103.05495	2.2
105.07046	24.7
107.04965	32.4
107.08595	28.8
108.57562	1.6
109.06547	10.4
109.10165	12.9
111.04456	2.2
111.08095	4.2
113.05982	3.3
115.05457	3.7
117.07008	15.1
119.08598	16.1
121.06513	28.1
121.10160	6.2
123.04439	4.0
123.08080	11.3
125.05984	2.7
125.09632	39.0
128.06235	2.5
129.07021	14.0
131.04944	6.0
131.08554	16.2
133.06499	11.2
133.10143	6.9
135.08083	11.3
135.11742	5.1
137.05994	3.0
137.09685	2.6
139.07547	1.9
140.59964	1.8
141.06999	5.4
143.08578	6.8
144.05719	2.0
145.06491	21.0
145.10130	7.7
147.04433	4.3
147.08060	8.5
147.11702	7.7
149.09657	5.5
149.10817	1.7
151.07559	2.9
153.09134	8.1
153.12723	4.3
155.08575	3.7
157.06473	2.6
157.10139	7.3
159.08113	5.0
159.11739	3.9
161.06010	4.3
161.09581	3.9
163.11226	4.2
165.09207	2.0
165.12801	3.3
167.08539	2.5
169.10106	5.2
171.08080	3.8
171.10312	2.9
171.11758	4.8
173.09656	4.0
175.11203	5.8
177.12784	3.6
181.10120	3.1
183.08084	1.8
183.11668	2.4
185.09674	4.8
185.13284	2.8
187.11224	3.7
189.09485	3.1
189.11247	23.6
189.12776	5.7
193.10699	1.9
193.12227	11.4
195.08086	2.0
195.11732	3.7
197.09734	2.6
197.13324	2.7
199.11206	5.5
205.10320	2.5
205.12271	5.1
211.11324	2.6
211.13133	3.2
213.12830	3.6
215.14374	5.5
217.12238	5.8
223.11172	2.4
223.13249	2.8
225.12749	3.1
227.12547	3.1
227.14532	4.1
231.13843	3.0
233.15431	12.3
235.13304	3.7
237.12769	4.0
241.14320	6.1
249.14902	2.6
255.13817	5.1
257.15195	2.3
259.13492	2.0
259.17029	2.2
271.16943	1.9
273.14886	21.4
275.16516	3.1
287.16513	2.8
289.18155	2.4
291.16016	6.4
321.22382	2.0
331.20447	4.0
339.23193	9.5
349.17789	2.8
349.21622	21.2
357.24060	9.5
367.22684	50.3
368.23059	2.7
385.23755	100.0
386.24005	3.7
403.24908	23.1
441.26300	7.8
459.27490	54.0
460.27817	3.8
477.28543	36.1
478.28671	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	477.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01872	1.1
55.05513	0.9
56.96566	0.7
57.03419	1.9
58.99886	0.6
61.02930	0.9
67.05489	2.7
69.03416	2.4
70.00802	3.2
70.06606	3.7
71.04993	1.7
72.08134	0.7
73.02856	0.7
79.05492	8.6
80.05027	1.3
81.03407	2.6
81.07053	2.9
83.04970	1.5
84.04523	0.9
84.08149	2.6
85.02910	5.5
86.09705	1.5
89.06025	4.6
89.07144	2.9
91.05497	6.4
93.07040	10.6
93.90707	0.7
94.06593	0.8
95.04967	3.9
97.02886	7.0
97.06513	1.7
97.77567	0.7
103.05473	0.9
105.03406	0.7
105.07031	1.0
107.04931	2.2
107.08557	0.8
109.02876	2.0
111.04449	1.1
111.08112	1.2
116.07173	0.8
119.04951	1.7
119.08624	0.8
120.08154	0.9
121.02856	2.8
121.06506	19.4
123.04526	1.3
123.05526	2.3
123.08062	6.9
125.02311	0.7
127.03918	2.5
131.05013	1.0
135.04411	0.9
136.07561	0.7
137.05977	2.4
138.05511	1.3
139.07538	14.4
140.07072	1.3
143.05692	3.4
144.04018	3.4
145.02853	1.2
145.04951	1.4
147.04405	1.3
149.05959	6.9
149.52071	0.8
154.08679	0.9
163.03987	1.6
167.07047	100.0
168.06512	1.0
177.05443	1.9
185.08136	2.7
199.09673	42.7
204.06541	1.7
205.04764	1.0
207.06509	1.1
212.07094	1.4
216.06175	2.1
228.06541	0.9
234.07452	1.0
238.04924	1.5
240.06615	1.3
270.07654	1.0
271.05771	0.9
272.09241	1.3
295.05637	1.3
296.05789	1.4
300.08798	1.3
308.06519	1.7
309.06543	1.5
315.08603	1.7
318.09729	1.2
321.06601	0.8
327.07846	1.8
336.10892	4.3
337.07001	1.7
338.07242	1.2
339.07642	3.3
355.08145	1.0
357.08636	3.5
381.08508	1.9
393.08487	1.1
401.13141	4.7
403.12045	0.9
423.10031	1.0
427.15714	0.8
441.10901	1.5
441.16577	0.9
445.15378	1.1
459.11710	3.3
477.18280	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	477.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
55.01875	3.8
55.05487	2.1
56.05030	3.2
56.36332	1.8
56.96549	3.4
57.03436	4.5
61.02953	2.5
65.03952	2.3
67.05502	3.3
69.03424	12.2
69.07073	3.1
70.06595	10.1
71.04988	24.3
71.59918	2.9
72.08154	4.9
73.02910	2.7
74.06090	2.2
75.04458	2.0
80.05008	2.6
81.03431	4.1
81.07075	3.1
83.04978	4.5
83.43486	1.8
84.04510	4.0
84.08149	4.8
85.02903	37.6
86.09715	6.9
87.04456	1.9
87.06718	4.0
89.07131	1.8
91.05502	4.8
95.04932	2.8
95.08586	2.2
97.02886	6.7
97.06543	2.4
102.05564	2.1
105.07046	2.0
106.72626	1.7
109.02895	4.9
109.06543	1.8
110.07166	2.0
110.94807	1.6
111.04385	2.4
116.07095	3.1
119.04950	5.7
119.22950	1.7
121.02937	2.4
123.04450	5.7
123.66672	1.6
124.07614	3.7
124.75210	2.0
125.04643	2.2
127.03937	6.0
129.05505	5.8
129.83212	1.9
134.99670	2.2
137.05992	4.5
138.05534	3.2
140.06978	2.0
143.05646	100.0
144.04099	2.8
144.05959	2.3
145.02829	2.5
145.04933	3.1
147.04436	16.9
147.06512	2.2
151.03915	7.5
152.07068	2.7
154.06090	2.3
161.05916	4.6
163.03911	6.9
165.05466	4.8
167.07033	4.5
168.06549	6.9
169.04953	32.0
175.03902	5.0
177.00613	2.0
177.05501	3.5
181.04904	11.7
185.09229	3.1
189.05492	2.4
191.80223	1.8
193.04965	19.3
205.04988	2.7
207.06544	8.2
211.06010	18.1
217.05014	2.6
229.05119	3.7
229.11905	10.1
231.06404	2.5
235.06029	16.7
243.06656	2.4
247.06020	14.4
248.06145	2.1
257.09946	2.2
259.06018	5.2
261.07443	2.8
265.07047	3.6
271.14240	3.1
277.06982	6.2
295.08038	5.8
299.08273	2.4
309.03946	4.3
313.09235	6.3
331.10120	4.1
364.05811	2.1
382.24261	2.1
401.13019	6.9
477.18427	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	477.1394
Annotation	Scutellarein 7,4'-dimethyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.03433	0.2
62.31400	0.2
64.59172	0.2
65.32430	0.2
66.95702	0.2
67.05483	0.4
69.03436	0.3
70.06586	0.2
71.14651	0.3
71.14984	0.3
74.62466	0.2
81.07035	0.3
85.02905	0.3
89.32710	0.2
89.54978	0.2
91.05463	0.3
93.07040	0.5
95.08624	0.4
97.02865	0.3
105.06990	0.2
109.02875	0.2
115.24091	0.2
116.98587	0.2
123.00824	1.1
133.06503	0.3
134.03639	0.6
135.04385	0.2
137.05939	0.7
138.03105	0.3
143.04707	0.3
143.05655	1.9
144.05862	0.3
165.03938	0.2
166.02559	0.4
167.03412	2.9
167.04787	0.4
167.07130	0.3
175.03856	0.4
180.36728	0.2
184.03674	7.3
184.05177	0.5
191.14287	0.6
195.04375	0.4
199.07536	0.5
201.05447	0.4
212.04692	1.4
215.07016	0.2
216.07767	1.0
227.06963	1.8
229.04929	0.6
240.04134	2.1
243.06548	3.4
244.07291	2.6
255.06519	2.8
256.06885	0.3
257.04401	0.4
259.09674	1.0
260.79361	0.2
268.03757	1.5
271.06088	0.4
272.06723	1.5
283.06003	3.6
285.03738	0.4
287.09137	0.3
299.05466	3.5
299.08600	0.4
300.06265	20.2
301.06720	0.2
315.08597	100.0
316.08942	1.8
394.91483	0.2
477.13794	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
56.05040	4.2
57.03432	0.6
60.04528	0.7
61.02935	0.6
65.50609	0.3
69.03424	1.1
69.07062	1.2
70.02929	0.4
70.06589	1.2
71.12523	0.8
71.12884	0.3
72.08138	0.5
74.00666	0.7
79.86387	0.3
81.03416	0.8
81.07060	0.3
83.06107	100.0
84.06433	0.7
84.08147	0.8
85.02923	2.9
86.09707	8.5
87.04468	1.0
88.03996	8.6
89.03893	0.4
89.06033	4.6
91.05475	1.1
91.38579	0.3
93.07052	0.8
95.04966	0.4
95.08566	0.4
95.48158	0.3
97.02905	1.0
103.05479	0.8
104.06226	0.4
105.07034	1.0
109.07671	0.8
114.06732	0.4
120.01212	0.9
120.08116	1.7
121.02903	0.5
121.06525	0.6
121.10181	0.4
123.04419	1.5
127.03960	0.7
128.08192	2.6
129.06612	0.5
131.04958	1.9
131.07028	0.3
132.05721	4.9
133.06537	0.4
133.08607	3.4
136.07524	0.4
137.04268	0.4
137.05943	0.5
140.07043	0.5
143.05644	2.8
145.02844	1.0
147.02637	1.2
147.04427	1.0
149.06041	0.5
149.09602	0.4
150.01360	0.9
152.07083	0.4
160.05199	2.1
161.05988	1.1
161.17751	0.4
163.02185	0.5
164.02969	0.5
165.03729	1.9
166.08653	0.5
177.05476	3.4
177.11232	1.3
192.07823	11.5
193.03197	5.7
193.08539	1.5
195.04723	0.6
196.14465	81.9
197.14772	1.1
207.06625	0.6
210.03549	0.9
224.13956	24.1
225.05803	19.2
226.06165	0.7
227.07465	1.5
233.64911	0.3
237.02844	0.4
253.11894	0.5
257.39444	0.4
296.06537	0.4
297.07526	0.4
311.17160	7.0
314.10590	6.5
329.18256	2.4
338.07712	0.5
458.10468	0.5
458.24158	2.2
476.25104	35.0
477.25266	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01864	2.4
55.05510	8.8
57.03427	1.7
57.39004	0.9
62.60802	1.0
67.05510	11.1
69.03432	6.2
69.07069	13.6
70.61566	1.0
71.04988	2.8
73.02899	1.4
79.05502	11.4
81.03430	7.3
81.07059	17.0
82.07379	1.7
83.04990	2.2
83.08624	9.1
85.02907	12.7
85.06525	2.4
87.00819	3.6
91.05484	8.2
93.07043	20.4
95.04977	6.1
95.08611	23.0
97.02901	7.5
97.06547	1.4
97.10168	3.3
98.21561	2.1
99.04449	4.1
99.62316	1.1
105.01846	2.9
105.07031	15.8
107.04939	2.3
107.08600	22.5
109.02859	4.6
109.06522	2.4
109.10157	11.8
111.08070	1.5
116.98578	1.4
117.07026	2.1
119.04906	1.3
119.08578	10.9
121.06490	2.5
121.10145	22.0
122.06009	1.8
123.11738	2.2
125.09653	2.1
127.03897	8.0
129.01819	1.1
129.06946	1.2
131.08536	2.3
133.06474	1.7
133.10170	6.0
135.07996	1.7
135.11722	10.0
137.05995	2.2
139.75783	1.0
143.05640	10.4
145.04933	3.3
145.06473	1.8
145.10115	2.0
147.04379	1.2
147.11703	2.9
149.13248	4.6
151.07442	1.1
159.02872	2.2
159.07993	1.3
161.09720	1.3
163.11177	2.9
165.09126	1.3
167.07034	3.0
169.12450	1.5
171.11690	1.6
171.83940	1.1
175.03889	1.7
175.14827	25.1
177.05482	1.5
177.16391	100.0
191.10750	1.7
193.15857	3.2
211.16922	2.0
229.18005	2.5
229.61148	1.3
231.05022	1.2
265.14285	2.4
283.15417	3.2
315.08517	1.5
384.22382	2.7
385.23715	2.7
402.23532	1.6
458.26007	1.3
459.27567	2.4
476.18530	1.3
476.26492	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01864	2.4
55.05510	8.8
57.03427	1.7
57.39004	0.9
62.60802	1.0
67.05510	11.1
69.03432	6.2
69.07069	13.6
70.61566	1.0
71.04988	2.8
73.02899	1.4
79.05502	11.4
81.03430	7.3
81.07059	17.0
82.07379	1.7
83.04990	2.2
83.08624	9.1
85.02907	12.7
85.06525	2.4
87.00819	3.6
91.05484	8.2
93.07043	20.4
95.04977	6.1
95.08611	23.0
97.02901	7.5
97.06547	1.4
97.10168	3.3
98.21561	2.1
99.04449	4.1
99.62316	1.1
105.01846	2.9
105.07031	15.8
107.04939	2.3
107.08600	22.5
109.02859	4.6
109.06522	2.4
109.10157	11.8
111.08070	1.5
116.98578	1.4
117.07026	2.1
119.04906	1.3
119.08578	10.9
121.06490	2.5
121.10145	22.0
122.06009	1.8
123.11738	2.2
125.09653	2.1
127.03897	8.0
129.01819	1.1
129.06946	1.2
131.08536	2.3
133.06474	1.7
133.10170	6.0
135.07996	1.7
135.11722	10.0
137.05995	2.2
139.75783	1.0
143.05640	10.4
145.04933	3.3
145.06473	1.8
145.10115	2.0
147.04379	1.2
147.11703	2.9
149.13248	4.6
151.07442	1.1
159.02872	2.2
159.07993	1.3
161.09720	1.3
163.11177	2.9
165.09126	1.3
167.07034	3.0
169.12450	1.5
171.11690	1.6
171.83940	1.1
175.03889	1.7
175.14827	25.1
177.05482	1.5
177.16391	100.0
191.10750	1.7
193.15857	3.2
211.16922	2.0
229.18005	2.5
229.61148	1.3
231.05022	1.2
265.14285	2.4
283.15417	3.2
315.08517	1.5
384.22382	2.7
385.23715	2.7
402.23532	1.6
458.26007	1.3
459.27567	2.4
476.18530	1.3
476.26492	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	475.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11666	1.2
53.03938	3.7
54.03162	1.1
54.64615	1.0
55.01865	3.0
55.05507	6.9
57.03181	2.1
57.03437	17.6
57.07077	41.2
59.04991	1.4
61.02926	49.2
64.17231	0.9
67.05503	19.3
69.03429	24.0
69.07072	11.0
71.01347	3.9
71.04986	3.3
71.08630	31.1
71.21880	2.6
73.02917	21.2
75.04456	2.0
79.05506	3.4
79.44865	1.2
81.03420	16.4
81.07057	21.0
83.01359	1.1
83.04980	2.0
83.08622	15.2
85.02905	50.3
85.06554	1.2
85.10183	16.0
87.04453	2.5
89.06043	1.7
91.03957	31.7
91.05504	3.9
93.07055	3.4
95.04964	2.7
95.07986	1.3
95.08605	23.6
97.02891	41.4
97.10155	6.4
99.04447	8.0
101.02374	13.0
103.03956	5.5
105.07027	2.3
107.04971	2.0
107.08582	2.9
109.02871	10.2
109.06490	1.2
109.10147	15.9
111.04475	1.6
111.11711	2.7
115.03937	4.2
117.05495	3.0
119.08602	2.6
123.11713	5.3
125.13259	1.8
127.03923	19.2
129.05486	4.4
131.08560	2.1
133.10188	1.2
137.13235	3.7
141.05437	1.0
145.04933	7.8
145.10092	1.2
155.28093	1.0
159.06564	2.5
159.11708	1.0
166.19760	1.0
171.11714	1.1
178.27927	1.0
183.06526	5.8
185.21638	1.2
201.07576	4.8
206.42729	1.3
221.22672	2.2
239.23715	28.7
257.24689	5.4
271.06067	1.3
297.27921	1.1
313.27353	100.0
314.27899	1.7
341.26852	5.4
355.28418	1.7
374.89627	1.1
383.79178	1.1
389.17905	1.2
397.29391	1.3
421.29065	1.3
426.26215	1.2
457.31595	5.7
475.32724	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.2
53.03950	9.7
55.01874	5.1
55.05512	28.4
57.03450	5.5
57.07077	1.5
59.04987	1.7
65.03953	5.3
67.05509	98.9
69.03436	2.9
69.07072	27.1
69.72147	7.0
71.01383	1.4
71.04985	6.0
73.02928	1.3
73.06577	1.9
77.03941	1.9
79.05498	95.3
81.03422	14.1
81.07059	100.0
82.07411	1.5
83.04984	17.5
83.08622	16.9
85.06567	4.3
91.05487	65.1
93.07047	98.5
95.04975	31.7
95.05560	1.6
95.08611	39.1
97.02909	1.7
97.06527	12.0
97.10199	4.6
99.04482	1.1
99.08108	2.8
103.05503	2.5
105.04520	2.2
105.07030	40.9
107.04972	9.7
107.08604	38.8
107.09292	2.5
109.06515	8.7
109.10160	9.5
111.08086	7.0
113.05999	1.2
113.09721	1.4
115.05515	2.9
117.07028	15.6
117.78483	1.1
119.08592	23.6
121.06513	6.1
121.10154	17.7
123.08127	4.4
123.11772	1.8
125.09699	1.9
127.07583	1.9
128.06274	2.9
129.07013	14.4
131.08554	12.0
133.06534	1.6
133.10139	16.5
133.10912	1.6
135.08113	2.8
135.11667	9.2
143.08595	9.9
145.06509	1.2
145.10130	10.8
147.08087	3.2
147.11694	31.3
147.12764	2.3
149.09633	2.5
149.13272	24.6
149.14378	1.9
153.12749	1.5
155.08606	2.1
157.10129	2.3
159.10406	2.3
159.11671	13.9
161.09689	4.3
161.13266	11.5
163.11224	3.1
167.14372	1.3
169.10268	1.9
171.11696	27.1
171.13127	1.5
177.12717	5.8
180.14049	1.1
182.54922	1.1
189.12802	12.6
194.12512	1.4
195.13779	7.2
207.13817	27.5
213.14989	2.6
225.14798	5.8
227.12764	1.9
230.15483	1.5
269.17645	1.5
271.06128	2.2
281.17584	2.2
304.26340	15.2
334.04202	1.3
383.22269	2.2
457.30057	1.9
475.30838	77.9
476.31094	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
53.03946	7.0
53.28228	1.4
54.17761	1.1
55.01877	3.7
55.05262	2.1
55.05512	26.7
56.15414	0.9
57.03439	7.0
57.07081	2.8
57.14789	1.0
58.00121	1.0
65.03948	4.6
67.05508	100.0
68.05846	2.0
69.03416	1.9
69.07071	27.2
69.07415	2.0
71.01353	1.4
71.05003	4.3
71.08645	1.3
71.60468	1.8
71.79163	1.1
72.61007	1.1
73.06562	1.4
77.03934	1.7
79.05497	99.4
81.03426	15.7
81.07063	97.2
82.07406	1.6
83.04984	17.2
83.05452	1.3
83.08620	16.8
85.02929	1.8
85.06530	6.4
91.05486	69.3
93.07048	96.3
94.07394	1.1
95.04971	29.0
95.05552	1.6
95.08612	40.4
97.06538	15.3
97.10184	4.9
98.06070	4.4
98.98512	1.1
99.08115	3.6
103.05468	1.6
105.04529	2.3
105.07033	44.6
105.82639	1.3
107.04978	8.4
107.07883	2.1
107.08599	39.7
107.09293	2.2
109.06501	6.6
109.10167	8.6
111.08081	8.5
113.06026	1.3
113.09657	1.8
115.05462	2.5
117.07024	12.6
119.08582	26.3
121.06537	4.6
121.10142	21.5
123.08126	5.9
123.11772	2.3
125.09657	2.1
127.07573	1.3
128.06273	3.0
129.07004	17.0
131.08560	9.0
133.06549	3.1
133.10144	19.9
133.88783	1.1
135.08099	1.9
135.11713	9.6
139.11241	2.0
141.09047	1.5
143.08553	7.2
145.06514	1.3
145.10149	11.6
147.08119	3.4
147.11690	38.0
147.24567	1.3
149.09756	2.0
149.13266	33.3
149.14363	2.0
151.11272	1.3
156.09421	1.7
157.10146	1.8
159.11696	14.6
161.09656	4.7
161.13258	14.4
163.11227	3.5
169.10100	1.6
171.11707	31.6
177.12790	6.0
179.14375	1.6
183.11714	2.0
189.12767	13.2
193.12311	2.4
195.13811	7.7
207.13809	37.4
207.15704	2.1
225.14799	7.2
227.12820	2.7
230.15388	1.6
249.14813	1.6
251.16344	1.6
269.17532	1.7
271.06400	1.2
281.17603	1.9
304.26361	32.3
339.20755	1.4
364.14340	1.2
383.22021	2.7
451.12506	1.1
475.30801	86.8
476.31039	5.6
498.55994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.5
53.03940	7.2
55.01863	3.9
55.05258	2.0
55.05509	27.4
56.96552	2.3
57.03439	6.9
57.07069	3.5
65.03954	5.6
67.05505	87.2
69.03424	2.9
69.06716	2.1
69.07069	27.7
71.01337	1.5
71.04987	5.0
71.52538	1.8
73.06570	1.8
77.03931	2.4
79.05493	99.1
81.03418	10.4
81.07056	98.7
81.23117	1.0
83.04984	17.0
83.08616	18.3
85.02908	1.9
85.06547	6.5
91.05481	69.8
93.07043	100.0
94.07395	1.0
95.04974	28.8
95.08606	40.2
97.06530	15.0
97.10185	5.3
98.89162	1.1
99.08078	2.9
103.05488	2.4
105.04541	2.9
105.07029	44.5
107.04974	8.0
107.08591	41.7
109.06516	6.6
109.10156	6.1
111.08102	5.7
113.09663	1.9
115.05443	1.1
117.07018	13.7
119.08586	26.4
121.06525	4.9
121.10143	21.0
121.50483	1.1
123.08047	7.1
123.11670	2.4
125.09677	1.1
127.07527	2.3
128.06230	2.5
129.06990	15.4
131.08566	15.6
133.06548	2.2
133.10130	16.0
135.08058	3.7
135.11708	7.1
139.11215	1.8
142.07796	1.4
142.81549	1.1
143.08554	9.7
145.10106	10.8
147.08067	4.6
147.11682	36.0
149.13268	25.8
156.09326	1.2
157.10164	2.3
159.11691	12.6
161.09613	4.9
161.13264	12.1
163.11171	1.7
171.11699	27.7
177.12787	4.7
179.14307	2.0
187.11215	1.3
189.12755	10.4
194.13618	1.1
195.13783	8.9
207.13792	30.9
225.14885	4.1
227.12712	1.3
263.16479	1.2
281.17493	2.8
308.46198	1.2
364.14630	1.3
383.25937	3.1
401.27008	1.6
404.64569	1.1
457.29538	2.5
475.30600	70.8
476.31110	3.7
483.29031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.1
55.01846	5.0
55.05508	27.5
57.03437	6.8
57.07054	2.2
58.16452	1.2
60.47418	1.3
65.03904	4.0
67.05505	93.9
69.03376	2.1
69.07072	22.4
69.45049	5.3
69.45484	7.0
71.04961	5.2
72.68060	1.2
73.06502	2.1
73.85307	1.2
77.03892	3.2
79.05495	100.0
80.05772	1.2
81.03422	9.6
81.07057	97.1
82.07362	1.5
83.04984	14.2
83.08617	17.9
85.02869	1.8
85.06493	4.7
91.05481	71.3
93.07043	94.7
95.04964	28.6
95.08606	42.4
97.06522	14.2
97.10111	4.3
98.21479	2.5
99.08025	3.8
105.04486	2.8
105.07030	43.9
107.04946	7.7
107.08588	37.7
109.06516	8.0
109.10143	9.1
111.08086	8.2
115.05392	1.7
117.07020	16.3
119.08587	25.1
121.06453	4.3
121.10140	18.8
123.07998	5.4
123.11662	2.4
127.07529	1.8
128.06149	2.7
129.07011	16.0
130.07736	1.5
131.08586	12.5
133.06403	2.1
133.10141	17.3
135.08066	2.4
135.11696	9.8
139.11111	1.8
141.06932	1.3
143.08563	9.3
145.10109	12.3
147.07971	3.2
147.11685	34.8
149.09599	1.7
149.13277	21.9
157.10077	2.5
159.11671	14.7
161.09537	4.3
161.13234	13.2
163.11060	2.2
169.10054	1.7
171.11703	25.9
173.13298	1.8
177.12663	4.9
179.14246	2.0
185.13156	1.5
189.12708	8.2
195.13696	4.3
207.11963	1.8
207.13791	29.8
225.14680	4.5
227.12750	1.7
263.16293	1.7
271.05838	5.9
295.48785	1.6
328.82767	1.3
365.28183	1.8
383.29443	2.3
457.28738	2.3
475.30557	62.7
476.30725	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.5
53.03949	8.9
55.01877	3.6
55.05514	28.3
56.94005	1.2
57.03430	4.8
65.03945	5.2
67.05505	94.9
67.15577	1.4
69.03455	2.4
69.06718	2.6
69.07070	29.5
70.15594	5.8
71.04991	6.3
73.02902	1.9
73.06557	2.1
77.03931	2.6
79.05494	100.0
81.03424	11.6
81.07058	94.5
83.04981	17.9
83.08625	17.1
85.02912	2.0
85.06539	6.3
91.05481	67.1
93.07046	91.9
95.04973	25.9
95.08609	39.6
97.02869	2.0
97.06539	11.7
97.10196	4.5
99.08115	4.2
105.04556	2.0
105.07034	45.8
107.04948	6.9
107.08597	43.2
107.09290	2.7
109.06546	5.5
109.10162	6.7
111.08075	7.6
115.05466	1.3
117.07009	13.5
119.08572	23.9
121.06534	6.4
121.10141	18.1
123.08092	5.9
123.11767	2.6
127.07571	2.0
128.06271	3.7
129.07002	16.9
131.08562	11.5
133.06577	1.8
133.10141	14.1
135.08073	2.4
135.11682	8.8
139.07597	1.5
139.11217	1.9
141.07022	1.6
143.08546	8.9
145.10109	9.4
147.11682	34.6
147.12788	2.2
149.13264	27.5
151.11163	1.5
155.08553	1.7
157.10233	2.0
159.11716	12.0
161.09650	3.7
161.13278	13.0
171.11688	24.0
177.12758	6.8
189.12750	11.4
195.13754	9.0
207.13803	28.0
225.14955	5.2
251.16350	1.7
256.91476	1.4
271.06097	3.4
402.69958	1.5
475.30814	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	475.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.01847	0.0
55.05503	0.1
57.03428	0.0
57.90417	0.0
59.45690	0.0
61.02909	0.0
67.05499	0.1
69.03424	0.3
69.07047	0.1
70.06583	0.1
71.04979	0.1
71.60671	0.0
71.61073	0.0
72.08158	0.1
73.02932	0.1
73.59922	0.0
78.60183	0.0
79.05491	0.1
81.03408	0.2
81.07053	0.3
83.04965	0.1
83.08598	0.1
84.08134	0.1
85.02915	0.3
85.06540	0.1
86.09699	0.2
87.00816	0.1
91.05485	0.2
93.07037	0.2
94.06558	0.0
95.04974	0.1
95.08601	0.2
97.02916	0.2
97.06560	0.1
99.04458	0.1
99.08092	0.1
105.01859	0.1
105.07030	0.1
107.04948	0.1
107.08589	0.4
109.02875	0.2
109.03500	0.0
109.06501	0.1
109.10154	0.2
110.07156	0.0
111.04472	0.0
111.08047	0.1
119.08575	0.1
120.08105	0.1
121.02882	0.1
121.06493	0.2
121.10132	0.3
123.08097	0.2
123.11673	0.1
124.07632	0.0
125.09620	0.1
127.03944	0.2
131.04921	0.1
131.08559	0.1
133.10172	0.2
135.08058	0.1
135.11761	0.0
137.05972	0.1
137.09605	0.1
140.07057	0.1
143.05643	0.4
145.04968	0.1
145.10089	0.1
146.06041	0.1
147.04451	0.0
147.11670	0.0
149.09616	0.5
149.13249	0.1
151.11214	0.2
153.09157	0.1
153.52174	0.0
163.03949	0.0
163.14859	0.2
165.12830	0.1
167.07024	0.0
169.12212	0.1
173.13249	0.2
177.05391	0.1
179.14316	0.1
179.39987	0.0
191.14307	0.6
204.06639	0.0
209.15335	0.8
227.16385	0.1
283.06165	0.1
285.07578	0.1
313.07050	0.1
337.07162	0.1
433.11298	0.1
445.15845	0.0
457.12018	0.0
457.31549	0.6
475.32501	100.0
476.32782	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	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40640	3.3
52.70664	2.8
55.05507	7.5
65.44078	3.0
67.05496	9.3
69.03423	12.6
69.07065	6.4
70.06577	13.8
70.86448	9.1
71.04988	10.3
73.61565	3.5
79.05474	7.3
81.03408	10.5
81.07049	14.4
83.04986	10.1
83.08634	3.6
85.02908	22.9
85.06541	8.8
86.09733	3.3
87.00806	8.1
91.03939	3.3
91.05480	8.9
93.07027	20.8
95.04955	8.8
95.08591	21.5
97.02884	10.4
97.06512	4.8
99.04427	16.8
99.08084	16.7
105.01871	6.8
105.07026	10.1
107.04953	7.8
107.08591	43.1
109.02875	11.5
109.06499	13.2
109.10154	14.6
111.08104	8.9
119.08564	6.1
120.08114	4.1
121.06512	21.4
121.10150	32.5
123.08062	19.8
123.08830	3.4
123.11688	4.3
125.05988	5.1
125.09642	9.7
127.03922	19.2
127.04694	3.0
131.08572	10.3
133.10127	20.2
135.08012	15.8
137.09679	7.0
138.50558	3.4
139.07578	2.9
139.11136	4.0
143.05632	11.4
145.04967	4.8
145.10207	4.4
147.11668	11.0
149.09631	78.7
149.13260	15.8
151.11223	23.5
153.09091	9.1
159.02907	3.9
163.14807	36.2
167.07068	5.6
173.13266	25.4
191.14314	70.8
203.25063	3.0
209.15382	100.0
227.16411	14.3
229.15654	4.5
345.23517	3.4
380.08313	3.5
475.32516	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97883	0.4
55.01865	1.2
55.05501	0.8
61.02922	1.1
65.03939	6.7
67.05499	1.3
68.99782	1.6
69.03423	1.2
69.07060	0.8
70.17138	1.9
71.04994	0.6
78.84698	0.4
79.05492	1.3
81.03415	1.2
81.07049	1.7
81.80835	0.5
83.04966	0.7
83.08635	0.7
85.02907	2.2
87.00841	0.8
87.59960	0.5
91.05482	100.0
92.05783	0.6
93.03404	3.1
93.07045	2.1
95.04973	1.2
95.08603	1.3
97.02338	0.4
97.02883	2.2
103.03945	0.6
105.03395	0.7
105.07030	5.0
107.04959	0.6
107.08588	1.2
107.91083	0.4
109.02894	0.7
109.06500	1.0
109.10153	1.3
115.05450	0.8
116.59954	0.4
117.07081	0.6
119.04941	1.1
119.08548	0.8
121.10139	0.7
122.06011	0.5
123.11732	0.6
124.07681	0.5
125.02224	0.4
127.03934	1.0
128.06189	0.5
129.01880	1.1
129.06996	0.7
131.04898	0.6
131.08595	0.8
133.06511	0.5
133.10196	0.6
135.04457	0.6
135.08020	0.5
135.11678	0.5
137.05930	0.9
138.59729	0.4
141.01941	0.4
143.05751	2.5
143.08475	0.6
145.02835	0.5
145.10138	0.6
147.02989	0.4
147.04390	1.4
147.08064	0.6
149.02351	0.9
149.09589	0.5
151.07574	0.8
155.04904	0.6
159.04457	1.0
161.02412	1.0
161.05962	1.5
163.03935	0.8
165.49055	0.5
167.03438	3.7
167.07059	1.3
174.83101	0.5
175.03911	1.6
175.07626	0.7
177.05481	0.8
178.07765	0.8
179.03368	2.2
181.01350	1.0
187.03935	1.0
189.05501	0.7
191.03407	7.2
197.04517	1.4
197.12953	0.4
201.05493	0.7
203.03453	2.8
205.04907	1.3
207.06500	0.6
215.03442	2.2
221.09656	1.0
229.05028	0.5
233.04462	8.4
239.07086	1.9
245.04465	2.2
247.07695	0.6
251.07170	1.8
257.04346	2.0
257.08057	5.1
263.05435	0.9
265.08670	1.5
269.08197	2.4
271.06039	4.5
275.05618	1.5
279.10211	2.5
281.08191	0.9
289.08832	0.6
293.08078	15.7
293.11404	0.8
305.08261	0.6
307.09924	1.4
311.09125	9.6
311.12552	0.8
313.07086	3.3
317.08047	1.6
323.09149	4.0
335.09128	20.1
353.10178	7.7
361.05582	0.6
371.11145	0.9
383.22369	0.7
403.08282	0.7
409.09125	0.8
421.09415	1.9
437.32971	0.4
439.10165	5.9
457.11285	3.0
475.11057	0.6
475.27100	1.7
475.33023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.6
55.05499	2.3
56.96551	1.5
57.03435	2.7
60.86800	1.0
61.02915	3.6
65.03945	7.0
67.05503	3.3
68.99786	2.2
69.03426	5.3
69.07063	2.0
70.06596	12.5
71.04993	2.3
71.60073	1.9
71.60458	1.8
71.89124	1.1
72.08156	5.9
73.02912	2.9
74.06089	1.3
79.05504	2.0
81.03421	4.8
81.07018	2.1
83.04968	3.7
84.04502	2.1
84.08142	1.7
85.02908	9.8
85.07652	2.1
86.09717	10.2
88.07627	1.4
89.06046	1.5
89.07161	37.6
89.10749	1.1
91.05486	100.0
93.03403	5.7
93.07040	1.8
95.04975	2.4
95.08612	8.7
97.02892	4.8
97.32028	1.1
99.04459	1.9
103.03931	2.0
105.03378	2.1
105.07028	4.4
107.04951	2.0
107.08571	2.3
109.02866	4.3
109.10128	2.2
110.07142	1.1
111.04470	1.8
111.09348	1.1
111.41732	1.1
115.05473	1.5
119.04967	8.0
119.08561	3.0
121.02002	1.6
121.02871	22.6
121.06493	1.2
121.10146	1.8
121.39055	1.1
123.04426	2.6
123.08080	3.3
127.03871	2.7
129.01863	1.9
131.04919	2.1
131.08536	1.4
133.10060	1.2
135.04401	2.0
135.11728	1.6
136.07587	2.0
137.05988	2.4
138.09142	1.6
143.05693	8.3
145.02876	5.2
147.04416	4.6
149.02356	1.8
149.09627	3.1
151.03909	1.9
159.04437	1.6
161.05997	2.8
163.03925	5.0
163.11255	1.8
167.03413	4.8
167.07022	3.6
171.61511	1.2
173.02423	1.5
175.03888	4.1
175.07500	1.2
176.01083	2.4
177.01929	1.8
177.05455	3.4
179.03409	6.1
181.04956	3.1
187.03897	2.6
189.01910	6.9
189.03426	1.2
191.03380	15.8
194.02136	2.4
197.04399	2.3
201.02126	1.4
203.03543	2.6
205.04988	2.1
207.02869	8.4
207.06525	5.3
207.13788	7.9
208.03662	2.1
209.04478	4.3
209.07986	2.1
209.15419	1.2
211.13219	1.4
215.03415	3.3
217.05066	1.7
219.02939	9.3
227.07112	1.9
229.04921	2.8
229.11819	1.3
233.04437	9.4
239.07204	1.3
245.04436	1.9
247.12852	1.3
251.07118	1.9
257.04529	4.3
257.08154	7.5
261.03943	1.6
265.08566	1.5
268.07187	2.2
269.08188	1.9
275.05444	2.8
279.06509	2.0
279.10172	1.9
280.07382	2.7
281.08154	10.5
283.06091	4.3
284.06790	3.1
291.06665	3.1
293.08011	15.2
294.05234	40.5
295.06055	10.9
296.06851	2.6
297.07495	5.7
298.08389	1.4
307.06006	47.3
307.09555	2.5
308.06723	11.6
309.07547	13.2
310.08197	1.3
311.09158	10.4
313.06943	6.0
317.08112	2.9
319.06070	13.1
320.06705	1.8
321.07666	5.4
322.08188	2.4
323.09131	4.0
325.07056	28.1
333.07544	3.6
335.05258	2.0
335.09152	20.1
336.06247	2.3
337.07074	93.2
338.07513	2.2
339.08063	1.3
345.07483	1.3
347.09436	1.2
349.07101	4.1
351.08755	7.1
353.10129	5.8
355.08121	56.8
356.08420	1.4
361.06973	3.3
365.10233	1.8
367.08194	7.8
375.08566	2.6
379.08102	18.0
391.08154	14.0
403.08060	4.2
409.09134	5.0
421.09216	14.7
439.10266	22.1
457.11334	41.3
458.11536	1.6
475.11099	9.6
475.17694	4.4
475.23727	2.6
493.55527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.6
57.03437	5.5
57.07075	7.2
58.06602	35.1
58.06874	1.1
59.07385	9.9
60.08165	10.4
63.20310	0.4
67.05508	4.4
68.02552	0.4
69.07057	2.2
71.08636	4.8
71.60595	0.7
73.02907	1.1
75.04492	3.6
79.05467	2.0
81.07056	4.6
83.04953	0.6
83.08599	2.3
84.08111	0.8
85.02923	2.2
85.10164	2.2
87.04465	3.2
91.05448	1.8
93.07030	2.8
95.08607	4.1
97.06520	0.7
97.10152	1.0
98.94235	0.4
98.98449	0.8
102.05550	0.5
103.03947	0.7
105.05494	1.0
105.06990	1.3
107.08568	1.1
107.64503	0.4
109.10143	1.3
113.06011	1.0
119.08553	1.0
121.10094	1.1
123.11650	0.7
131.07021	1.9
136.99986	0.5
144.10202	7.9
145.10039	0.4
145.58737	0.5
147.11626	1.0
155.00967	0.9
162.11259	1.7
171.11723	0.6
187.70468	0.5
205.67874	0.4
207.13765	0.6
218.13855	0.7
236.14932	86.5
237.15282	1.8
271.06052	1.1
277.66522	0.5
313.27423	1.2
339.28827	0.8
345.20529	0.5
395.92139	0.4
412.37711	0.6
456.36884	26.9
457.37082	1.1
474.37933	100.0
475.32050	3.1
475.38354	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01876	2.1
55.05516	0.9
57.03426	1.5
57.07066	2.0
60.80870	0.8
61.02912	1.4
67.05508	7.2
68.99805	1.1
69.03426	6.9
69.07085	1.6
70.06607	1.3
71.04992	5.0
71.60837	1.1
79.05486	5.1
81.03429	5.0
81.07069	4.5
83.01411	0.9
83.08608	1.3
84.08129	0.9
85.02910	13.4
85.06534	3.2
87.00852	4.4
87.06703	1.5
91.04001	0.9
91.05488	7.3
93.07040	5.3
95.04972	4.1
95.08604	5.8
97.02890	6.9
97.06519	2.7
99.04448	3.2
103.05509	0.9
105.01875	4.1
105.07037	13.9
107.05013	0.8
107.08605	10.0
108.08136	1.8
109.02873	3.6
109.06520	75.1
109.10157	17.0
111.08067	1.5
117.07071	2.2
119.08594	6.1
120.08116	1.1
121.06525	1.1
121.10161	6.9
122.06023	3.5
123.08074	10.3
124.07578	0.9
126.03060	0.8
127.03941	7.0
129.01891	1.0
129.07005	1.4
131.08566	20.1
133.10136	36.7
134.12611	0.8
135.08058	30.0
136.06146	1.0
137.05965	1.5
143.05649	50.0
143.08582	2.2
144.04068	1.3
144.05908	1.0
145.04968	2.9
145.10098	5.3
147.11694	4.0
149.09608	3.0
149.13245	2.5
151.07535	1.3
152.07039	2.3
153.09077	3.5
158.10893	3.0
159.02901	1.8
167.06989	1.7
173.13268	35.6
175.14793	1.5
177.05396	1.1
188.14326	1.0
191.14311	100.0
206.15349	1.4
209.15369	49.1
231.04826	1.0
251.11967	0.9
271.06183	1.1
278.10449	1.1
279.11404	1.6
293.12839	1.2
303.04971	1.8
320.25977	0.9
331.34872	0.9
339.13553	1.1
343.12701	10.8
343.62848	2.4
373.07648	0.8
399.15540	1.0
474.16513	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01864	2.9
55.05513	1.5
57.03436	1.9
57.07073	2.4
59.05002	1.1
61.02930	1.4
65.03941	1.5
67.05503	6.8
69.03428	7.7
69.07068	2.8
70.18805	4.7
71.05000	7.0
73.02918	2.4
79.05490	5.1
81.03416	6.3
81.07044	5.9
83.04989	1.2
83.08644	1.8
84.08180	1.1
85.02904	14.1
85.06551	3.4
87.00834	5.4
87.06673	2.4
91.05481	9.0
91.20358	1.2
93.07055	5.4
94.06563	2.1
95.04974	6.1
95.08618	6.4
97.02904	5.8
97.06538	3.9
99.04464	3.0
105.01870	4.2
105.07034	11.7
107.08593	10.9
108.08119	3.4
108.08806	1.0
108.29891	1.0
109.02889	5.6
109.06519	84.4
109.10151	24.2
111.08073	2.8
117.01896	1.3
117.07020	2.5
119.08579	6.1
121.10142	5.3
122.06056	3.4
123.08071	12.4
124.07648	1.4
127.03922	8.5
129.07054	1.9
131.08571	21.4
133.10129	46.4
135.08058	39.9
135.11667	1.6
137.05948	1.4
140.07010	0.9
143.05640	51.8
143.08565	2.5
144.06032	1.0
145.04971	4.0
145.10112	4.9
147.11702	4.3
149.09656	2.8
149.13232	1.8
152.07106	2.4
153.09113	3.5
158.10899	2.7
159.02933	2.8
167.06998	1.5
173.13275	39.3
177.05489	1.4
191.14307	100.0
209.15367	58.7
231.04958	1.9
251.11829	1.2
278.10321	1.0
279.11261	1.4
290.45364	1.0
293.12845	1.9
301.44446	1.0
303.05048	1.3
339.13507	2.2
342.64206	2.1
343.12579	9.4
343.62894	3.9
464.14349	1.2
474.25650	1.0
483.18094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76822	0.4
60.46690	0.3
67.05504	0.7
68.99780	0.5
69.03448	0.6
70.06591	2.6
70.92335	0.8
71.04966	0.4
72.08147	0.7
73.02895	0.3
74.06076	0.9
79.05481	0.7
81.03412	0.7
81.07037	0.6
81.77987	0.4
84.08162	0.6
85.02885	1.5
86.09679	1.2
91.05479	0.5
93.07032	0.7
97.02901	0.9
98.02477	0.4
105.07004	0.6
107.08572	0.3
109.16879	0.4
119.04942	0.6
120.08096	0.8
121.10087	0.5
123.04430	0.5
124.07624	0.4
127.03876	0.6
131.04979	0.5
135.04404	0.6
137.02333	1.2
143.05635	1.4
147.04337	0.4
151.03951	0.5
153.01767	1.0
157.06717	0.4
177.05495	0.6
181.20242	0.4
203.06958	0.6
208.05106	0.9
211.07445	0.6
219.10194	0.6
221.06142	0.4
229.15416	0.8
239.07068	0.5
241.05095	0.4
243.53227	0.4
254.05841	0.8
267.06567	0.5
267.13351	0.5
268.07303	0.9
269.06924	1.1
270.05234	0.6
271.05994	3.3
279.06525	0.6
285.07565	9.8
286.04724	4.8
287.05527	0.6
294.07578	1.5
295.05814	8.9
295.08521	1.7
296.06699	0.5
297.06351	3.9
311.07913	0.6
312.08646	100.0
313.08926	1.5
320.61478	0.5
394.48508	0.4
456.21542	0.5
474.13736	2.3
474.22971	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61269	0.5
69.03400	0.8
70.06582	1.2
70.42786	2.5
72.88531	0.6
83.06067	0.7
85.02899	0.8
97.02895	0.5
105.03364	1.0
105.05788	1.0
111.05579	4.1
114.06631	0.6
120.04424	2.6
123.05545	1.2
125.05836	1.0
126.06623	2.4
132.04451	25.7
133.05316	0.9
134.06006	6.0
135.04436	0.8
137.04718	1.4
141.29735	0.6
143.05658	2.6
145.04001	0.6
150.05502	0.7
151.06143	10.3
158.99667	0.7
163.03893	1.2
194.06740	5.1
195.07553	1.1
202.09735	1.8
216.11447	0.8
230.09248	1.0
232.10872	1.0
242.09204	5.2
257.10376	5.8
258.08832	0.7
259.11868	12.3
275.10367	0.5
284.11484	2.3
302.12473	19.6
327.12094	2.6
331.12662	0.8
345.13058	100.0
346.13339	3.0
456.16141	0.8
474.17239	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	473.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.1
53.25413	0.8
55.01867	4.4
55.05266	1.6
55.05513	25.5
57.03436	5.4
65.03934	4.7
67.05507	54.8
67.08725	1.0
69.03417	3.7
69.07072	11.0
69.49845	8.7
71.04997	3.6
73.06553	1.1
76.40296	1.1
79.05497	74.5
81.03422	100.0
81.07062	42.1
82.79016	1.1
83.04987	11.6
83.08624	23.5
85.02901	1.7
85.06534	3.1
87.01608	1.0
88.18770	0.9
89.50812	0.9
91.05483	67.4
93.07046	51.2
95.04974	45.7
95.08604	25.2
96.14255	0.9
97.02886	3.8
97.06522	5.5
97.10184	7.3
98.97528	1.1
99.08114	1.1
103.05491	1.8
105.04506	1.8
105.07031	44.5
107.04963	11.3
107.08590	16.2
109.02904	1.1
109.06534	7.5
109.10164	5.9
111.04446	1.5
111.08090	8.1
113.06018	0.9
115.05470	3.5
115.44604	1.2
117.07024	11.7
119.04910	1.7
119.08584	31.9
121.06501	7.1
121.10135	8.0
123.08080	5.3
123.11747	2.1
125.09667	2.8
128.06256	4.3
129.07021	20.3
131.08591	12.5
133.06476	4.9
133.10127	12.8
135.08073	2.0
135.11700	3.1
137.09566	2.6
141.07005	2.0
142.07803	4.6
143.08565	8.9
145.06487	2.3
145.10121	12.7
147.08061	6.0
147.11690	31.5
149.09605	6.0
155.08624	3.2
157.06509	1.9
157.10130	10.6
157.94958	1.0
159.08104	1.9
159.11646	2.5
161.09613	5.0
161.13275	9.7
163.11214	3.2
165.12787	1.6
167.08614	1.7
169.10191	2.0
171.08049	1.4
171.11694	22.3
175.11180	9.2
185.13342	1.3
189.11247	1.5
189.12746	8.9
193.12263	31.4
205.12276	1.2
207.13785	20.0
213.12727	1.3
225.12891	1.2
225.14880	4.2
229.15913	2.1
245.40816	1.3
249.14909	4.1
262.04459	1.0
263.16327	1.4
281.17822	1.5
363.23203	2.4
381.24365	4.1
399.25293	3.4
455.28192	2.5
473.29025	74.3
474.29306	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	473.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.7
55.01863	5.7
55.05516	22.2
57.03428	4.7
65.03944	4.5
66.26735	1.4
67.05508	61.5
67.60019	1.3
69.03421	3.6
69.07066	13.5
71.04983	3.3
71.31106	2.6
73.06544	1.4
73.45887	1.3
77.03916	1.3
78.75095	1.3
79.05496	69.6
80.40669	1.2
81.03421	100.0
81.07059	50.5
83.04989	15.1
83.08132	2.1
83.08617	21.1
85.02893	3.3
85.06538	4.5
90.62791	1.4
91.05484	74.8
93.07050	53.1
93.07638	3.0
93.36234	1.2
95.04366	2.4
95.04973	45.1
95.08051	2.0
95.08616	23.5
97.02879	5.3
97.06544	4.6
97.10171	6.0
99.08093	1.4
103.05479	2.6
105.04504	2.3
105.07032	46.4
107.04971	11.3
107.08594	20.1
109.06519	9.5
109.10185	7.8
111.04415	1.4
111.08084	10.4
114.44186	1.2
115.05479	3.7
117.07035	11.7
119.08582	33.4
121.06503	7.1
121.10149	10.3
123.08070	6.1
123.11716	2.2
125.09632	4.0
127.07612	1.9
128.06233	3.9
129.07002	24.9
129.51482	1.4
131.08557	13.6
133.06499	4.9
133.10132	12.7
135.08038	2.3
135.11656	3.4
137.09641	4.0
141.07042	2.9
142.07784	4.8
143.08578	11.3
145.06482	3.3
145.10139	10.9
147.08061	7.6
147.11690	35.8
149.09647	5.4
155.08563	2.1
157.10143	9.6
159.08073	1.9
159.11758	3.3
161.09628	5.6
161.13254	10.4
163.11240	2.7
165.09152	3.3
165.12784	2.9
169.10158	2.6
171.08167	1.6
171.11670	21.2
175.11186	8.8
177.09358	1.5
183.11717	2.3
189.12733	7.9
193.12238	33.3
203.10684	1.4
205.12323	2.0
207.13803	22.7
225.14920	2.3
229.15988	3.1
231.01717	1.4
249.14902	5.4
273.14987	1.4
301.17661	1.4
363.23288	3.8
381.24374	5.3
399.25418	3.3
409.17575	1.5
455.28067	4.3
473.14917	3.9
473.29037	94.3
474.28671	2.7
495.78256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
53.07186	0.1
55.01872	0.2
55.05498	0.2
59.90978	0.2
67.05505	1.0
69.03439	1.0
69.06738	0.1
69.07074	1.7
70.06586	0.6
70.28484	0.7
71.04988	0.2
72.87265	0.2
73.02902	0.1
73.05391	0.1
79.05466	0.4
80.55128	0.1
81.03407	0.7
81.07055	1.5
83.02439	0.2
83.04972	0.3
83.08630	0.2
84.08134	0.2
85.02908	1.1
86.09705	0.4
87.06719	3.3
91.05479	0.5
93.07040	0.6
95.04978	0.3
95.08593	0.5
97.02898	0.6
97.06522	0.3
98.20832	0.2
99.04445	0.3
101.93785	0.1
105.07030	0.3
107.04893	0.2
107.08574	0.6
109.02880	0.7
109.06506	0.3
109.10151	1.9
119.08559	0.4
121.06538	0.2
121.10120	0.2
123.08105	0.2
123.11693	1.0
124.07603	0.2
125.04649	0.2
127.03912	0.6
133.06354	0.2
133.10150	0.3
136.06250	0.2
137.05983	0.6
141.04077	0.5
142.04861	0.2
143.05649	100.0
145.04976	0.2
147.11743	0.2
151.03848	0.2
151.11166	1.1
157.10165	0.2
169.06551	0.2
175.11333	0.2
177.05481	0.3
178.05994	0.2
185.06818	0.2
186.23175	0.2
187.06041	0.2
207.06654	0.3
209.08195	0.2
214.96106	0.2
217.08641	0.2
295.15439	0.2
305.10959	0.8
311.09070	0.2
313.16632	0.3
314.68723	0.2
351.68661	0.2
432.15723	0.2
455.21503	2.2
455.27896	0.3
473.15552	0.2
473.22339	0.7
473.29788	0.3
474.16348	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	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
55.01863	6.3
55.05511	5.5
56.96569	1.9
57.03429	8.5
59.88869	1.3
61.02917	5.9
67.05511	8.1
68.99792	1.5
69.03426	21.3
69.07076	7.1
70.06580	5.4
71.04996	12.6
71.59954	2.1
72.08160	1.9
73.02914	6.2
79.05492	8.4
81.03417	83.4
81.07057	18.1
83.04990	4.9
83.08611	1.6
84.08181	1.8
84.68845	1.3
85.02904	53.7
85.06543	1.8
86.09720	2.6
87.00829	13.5
91.03940	2.9
91.05482	10.8
93.07039	11.5
95.04966	3.9
95.08595	10.9
97.02895	16.0
97.06532	3.6
97.10170	3.5
99.04456	12.0
99.08096	2.6
103.05472	1.8
105.01858	7.8
105.07035	10.1
107.04960	4.4
107.08585	11.3
108.08115	4.9
109.02880	16.7
109.06512	6.1
109.10163	5.5
111.04444	2.8
111.08083	2.3
115.03893	1.8
115.34191	1.3
119.04906	2.0
119.08576	12.7
121.06500	6.4
121.10159	5.5
122.06042	5.7
123.04433	1.7
123.08067	26.8
123.11674	3.8
125.09617	14.6
127.03915	27.2
127.11196	9.5
131.04845	1.8
131.08582	3.1
133.10159	6.1
135.04376	2.3
135.08047	8.7
135.11667	3.7
136.06189	4.2
136.07718	1.6
137.05931	9.6
137.09631	5.5
139.11264	1.5
141.09088	3.3
143.05661	12.0
143.08609	2.3
145.02940	1.7
145.05008	9.6
145.06104	2.0
145.10121	4.4
147.04413	3.2
147.11664	7.0
149.05949	2.8
149.09627	6.8
151.03915	1.8
151.07559	6.2
152.07050	2.8
153.09149	5.9
159.02870	7.8
159.11670	3.3
161.05981	2.9
161.09668	1.7
161.13277	6.4
163.03987	2.0
163.07640	1.4
163.11278	3.1
165.05524	1.5
165.09113	4.7
165.12863	2.6
167.07053	5.3
169.08632	1.7
171.02730	1.5
171.11723	1.6
175.11009	1.9
177.05484	3.5
177.12683	1.9
179.07024	1.5
179.14352	3.1
187.14774	1.6
189.12762	5.2
194.13072	1.4
195.13718	2.3
205.12485	1.8
207.06583	3.3
207.13808	100.0
208.14221	1.5
225.14862	93.4
226.15190	3.0
231.05061	4.7
259.19495	1.4
295.05984	1.9
303.82184	1.5
311.09195	2.3
342.64255	1.8
405.88449	1.8
473.15195	2.5
473.20267	13.5
473.26151	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50692	1.0
53.10844	1.3
55.01872	1.2
55.05513	1.5
57.02529	1.2
57.03445	1.9
66.85749	1.4
67.05508	2.6
69.03429	5.7
69.80313	4.8
69.80719	2.5
70.06599	5.4
71.04997	1.7
72.08150	3.9
79.05499	2.4
81.03426	4.3
81.07065	2.6
83.04986	1.8
84.08146	3.0
85.02893	6.0
85.06573	1.4
86.09711	4.1
87.04453	1.1
87.05587	1.4
88.04089	1.1
91.05491	5.1
93.07050	3.9
95.08598	7.9
97.02910	3.2
98.21577	1.5
98.97575	1.3
105.07055	2.0
107.04951	2.1
107.08613	1.8
109.02895	3.5
109.06496	1.9
113.05985	1.5
119.04956	2.2
119.08601	3.5
121.06538	1.8
123.04477	1.5
123.08088	3.5
123.11721	1.6
125.06063	1.3
127.03937	5.8
131.04958	1.4
133.10257	1.2
134.06111	1.2
135.04523	1.6
135.11699	2.5
137.06004	3.3
137.09688	2.1
143.05638	10.7
145.02896	1.9
145.10133	1.3
146.06001	1.8
147.04448	3.2
147.11665	1.2
149.06046	2.9
149.09663	4.5
151.03972	1.7
151.07591	1.6
163.03859	7.1
167.07062	2.0
177.05586	3.6
192.13475	1.2
207.06641	2.6
207.13782	6.9
225.14894	2.1
238.78082	1.2
245.06326	2.8
293.17557	1.4
303.10779	1.7
311.18411	2.3
429.16766	1.4
473.09772	19.8
473.23813	100.0
474.11124	1.5
474.23837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00083	2.0
55.01866	3.9
55.05516	3.7
55.77853	2.7
60.22866	2.4
67.05508	9.1
69.03429	8.9
70.06596	7.3
70.76288	7.1
71.19888	2.3
72.08177	3.6
73.02940	2.9
81.03416	5.0
81.07086	4.5
83.04966	3.2
84.08167	5.3
84.61687	2.1
85.02931	11.7
85.06595	2.2
86.09718	6.1
91.05469	5.3
93.07079	3.8
95.05009	3.1
95.08620	20.1
97.02917	5.6
98.97586	2.5
103.98671	2.2
105.01859	2.5
105.07036	5.2
107.08593	3.6
109.02870	3.7
111.04478	2.1
113.06026	3.8
117.03403	2.7
119.08619	5.0
121.06564	2.9
121.10164	3.4
123.08092	8.9
123.37381	2.2
127.03956	7.2
135.11739	3.2
137.05936	5.2
137.09651	3.3
143.05670	14.1
147.11722	5.2
149.06070	2.7
149.09689	9.6
151.04082	3.0
161.13309	4.9
163.03951	6.8
163.11235	3.5
167.07103	2.6
177.05513	4.0
189.12825	3.4
207.13846	22.8
259.35394	2.2
277.13046	2.2
303.65060	2.3
473.10016	30.3
473.23764	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
56.96541	0.7
63.76616	0.5
67.05498	0.8
69.03429	2.5
69.07069	24.4
69.58419	3.8
70.06593	4.6
71.04957	0.9
72.08161	1.2
73.04033	0.7
74.22796	0.4
79.05491	0.8
80.29526	0.5
81.03417	5.5
84.04486	0.9
84.08118	0.8
85.02909	2.3
85.07678	0.5
85.73865	0.5
86.09682	1.1
87.06732	0.6
88.05110	1.9
89.03914	1.2
91.05460	0.7
94.00334	0.5
95.04959	2.0
97.02898	2.3
97.06504	2.0
98.97580	0.5
99.04442	0.7
107.04938	0.5
109.02884	9.4
112.07602	4.3
116.98650	0.6
117.03361	0.9
117.65385	0.5
119.04971	0.4
122.06078	0.7
123.04443	1.6
127.01423	1.4
127.03906	2.3
129.10190	0.5
135.04402	1.7
136.07605	0.6
138.05447	0.6
140.07062	31.7
141.05493	0.8
142.02458	1.0
143.05643	13.5
144.04044	100.0
145.02837	1.1
145.05002	0.7
146.99696	0.5
147.04398	1.2
148.04822	0.4
150.05460	0.5
152.07068	0.6
163.03900	6.5
164.04292	0.6
168.06563	55.5
169.06882	0.7
176.85507	0.5
177.20357	0.4
186.07634	2.8
190.08661	1.0
219.01840	0.7
237.02872	1.1
239.71510	0.4
265.03812	0.5
294.09711	2.3
306.09332	1.5
306.62878	0.4
312.10809	2.9
330.11972	0.8
473.15668	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	472.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90683	0.1
63.97287	0.1
69.03416	0.4
69.07068	1.8
69.90934	0.3
69.91341	0.7
70.06586	0.5
70.06965	0.1
71.04983	0.1
73.31980	0.1
81.03403	0.3
85.02886	0.2
87.06712	3.6
97.02865	0.3
104.30604	0.1
109.02874	0.3
112.07609	0.5
113.04616	0.2
117.03413	0.2
123.04393	0.2
125.04572	0.3
125.54913	0.1
127.03854	0.2
134.08086	0.3
140.07079	2.3
141.04051	0.8
141.97916	0.1
142.04779	0.2
143.05635	100.0
144.05995	0.6
145.02859	0.8
145.57225	0.1
163.03860	0.2
166.04973	0.2
167.03404	0.2
168.06569	2.6
177.05484	1.7
192.03999	0.4
193.04184	0.2
339.10904	0.2
453.04916	0.2
472.15613	5.5
473.15747	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	472.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.01836	1.2
55.05475	0.7
56.96523	0.5
60.25264	0.6
65.03894	0.6
67.05455	1.2
69.03373	2.8
69.07011	1.0
69.56361	4.3
70.02976	0.6
70.06591	3.3
71.04949	1.0
72.08116	0.6
79.05456	1.1
81.03371	1.4
81.07012	1.0
84.04470	0.7
84.08137	3.2
85.02842	2.6
85.07637	1.0
86.09692	3.4
87.09183	0.7
89.03880	0.6
91.05481	7.1
93.07027	5.7
94.06500	2.4
95.04900	2.3
97.02828	1.0
98.06017	1.2
103.05448	0.8
107.04885	0.8
107.08545	1.0
108.04463	0.9
108.08035	1.0
109.02805	1.0
109.06502	0.7
110.06001	1.1
111.08078	3.5
117.06973	1.8
119.04928	3.6
119.40137	0.6
120.08035	1.6
121.02822	2.1
121.06459	1.3
122.05968	1.9
123.04392	1.2
124.07562	1.3
127.03869	1.0
129.10196	1.7
130.06436	0.7
132.08035	1.1
134.05960	1.3
134.09619	3.4
135.07968	2.7
135.08882	0.6
136.07574	6.8
137.02295	0.7
137.05928	1.5
138.05479	0.6
138.09135	1.0
139.03850	1.2
139.07448	1.4
140.07031	1.5
143.05656	8.8
147.04393	6.8
148.04752	3.0
148.07506	1.0
149.05946	0.7
150.09134	0.9
152.07091	0.8
152.10686	2.9
154.08583	2.5
160.07533	1.7
161.06007	0.6
162.05493	0.7
162.09134	26.5
163.03909	1.5
163.07472	1.4
163.08620	0.9
164.06972	0.9
164.10571	0.7
166.08595	0.7
167.06987	1.4
168.06529	1.6
170.08005	0.6
172.05974	1.9
172.07440	1.0
174.09157	0.9
175.03926	3.8
177.05438	0.9
177.10178	1.7
178.08603	5.3
180.10187	22.7
186.09142	0.6
187.08646	1.0
187.88461	0.7
188.07007	1.3
190.08658	4.6
201.10257	0.8
201.41840	0.6
202.08575	1.8
205.09766	3.7
207.06525	6.4
208.09683	52.1
209.10017	1.1
219.11255	2.1
220.09770	0.8
225.10205	1.1
227.11717	0.8
229.09657	1.9
230.08154	1.3
231.11230	1.0
237.02844	0.6
241.09595	0.8
243.11269	0.9
244.08122	1.4
247.10744	1.9
248.09006	0.7
253.09633	0.6
255.11224	1.3
265.11826	100.0
266.12112	2.3
267.11270	1.0
269.09207	0.9
273.12131	0.9
281.08118	0.9
289.11792	6.5
291.13477	3.0
295.05792	0.8
313.11774	2.2
315.13370	2.6
317.11124	4.4
319.12793	2.9
323.05399	1.2
324.06281	0.7
329.11197	0.8
333.14450	2.4
341.06656	3.6
353.06586	1.9
367.08231	1.3
395.07663	2.1
419.07425	1.0
436.18719	2.2
437.08728	0.9
454.19736	8.0
455.09958	0.8
455.19754	0.8
472.20932	25.0
472.35010	1.1
473.10300	0.9
473.20724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.01859	1.4
55.05513	10.6
57.03424	2.2
67.05504	17.1
69.07071	10.8
71.04995	1.8
71.61031	2.0
78.31571	1.5
79.05490	9.1
81.07054	16.6
83.08614	4.5
91.05474	8.5
93.07059	8.7
95.08612	16.6
97.06527	1.4
97.10173	3.5
105.07034	19.7
107.08604	3.4
109.10169	3.4
117.07024	5.9
119.08588	47.2
121.10165	4.8
123.08092	2.1
125.09661	1.6
129.07005	5.0
131.08568	19.3
133.10149	21.4
135.11694	2.0
141.06964	2.3
142.07632	1.8
143.08574	8.8
145.10115	22.9
147.11710	19.0
155.08536	3.8
157.10088	7.5
159.11687	15.8
161.13287	7.1
169.10150	6.3
171.11703	8.7
173.13229	16.0
175.14825	2.1
181.10298	1.4
183.11728	7.6
185.13203	7.6
187.14851	8.2
195.11729	2.8
197.13269	5.9
199.14836	5.7
201.16357	3.7
209.13274	1.7
211.14912	4.1
213.16418	3.0
225.16479	2.8
227.17972	2.0
233.17520	1.5
239.17993	2.4
241.19521	2.3
253.19661	2.0
267.21243	1.6
269.22406	1.4
269.88599	1.4
270.95297	1.4
271.20627	2.4
285.18903	1.4
285.22086	3.1
291.21097	1.6
297.22308	1.9
311.23651	2.8
315.23306	2.2
323.23938	1.8
327.23312	1.7
379.30017	21.7
397.31030	16.9
435.32562	3.6
453.33493	2.3
471.34720	100.0
472.35004	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	471.2205
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
50.38623	0.3
50.80868	0.2
51.26394	0.2
53.03937	0.5
55.01857	0.3
55.05501	1.0
56.96562	0.4
57.03412	0.4
57.07094	0.3
61.02921	0.4
63.29758	0.2
65.03938	0.3
65.18689	0.2
66.42021	0.3
67.05506	1.2
67.75198	0.2
69.03432	2.0
69.07053	0.7
69.41830	1.1
69.42260	1.0
69.96680	0.2
70.06583	0.3
71.04994	0.4
73.02908	0.5
79.05480	1.5
81.03419	1.8
81.07063	2.1
83.04967	0.7
83.08608	0.3
84.04482	0.3
84.08109	0.3
85.02902	2.6
85.06544	0.5
87.00828	0.6
91.05464	1.5
93.07055	1.3
95.04946	0.8
95.08611	1.5
97.02895	1.8
97.06519	0.3
99.04449	0.7
105.01869	0.9
105.03405	0.4
105.07031	1.0
107.08597	1.3
109.02847	1.2
109.06502	0.5
109.10146	1.2
111.04456	0.2
111.08097	0.2
117.03428	0.3
117.07050	0.3
119.04928	0.7
119.08571	0.9
121.06472	0.3
121.10138	0.9
122.06013	0.2
123.04419	0.4
123.08088	0.7
123.11719	0.6
125.09647	0.3
127.03903	2.1
131.04947	0.4
131.08546	0.5
133.10110	0.9
135.11685	0.4
137.05974	1.6
137.09613	0.5
137.13272	0.3
143.05637	0.9
143.08626	0.3
145.02882	0.6
145.04951	1.0
145.10136	0.7
147.04436	1.9
147.08052	0.3
147.11714	0.7
148.44637	0.3
149.09631	0.6
149.13281	0.3
151.03854	0.3
156.09384	0.3
157.10083	0.3
159.02832	0.5
159.11687	0.6
161.05896	0.2
161.09644	0.4
161.13245	0.4
163.03963	0.4
163.07506	0.3
163.11133	0.4
165.05447	0.3
165.09125	0.5
175.03874	0.3
175.07495	0.4
175.14813	0.4
177.05516	1.3
177.16360	0.3
203.05278	1.0
207.06546	0.8
213.12769	0.3
223.06053	0.5
223.14888	0.3
223.16908	0.4
228.97586	0.2
231.04999	0.6
259.07867	0.8
287.05878	0.4
309.16620	1.5
309.27676	0.4
414.06207	0.4
462.40927	0.2
471.22018	100.0
472.22391	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	20.7
55.05512	8.3
56.05029	11.0
59.04999	4.1
62.70576	3.7
65.03924	6.2
67.05502	9.4
69.03430	15.7
69.07058	4.7
70.06593	12.8
71.60754	4.8
72.08158	5.5
73.02915	19.7
74.06081	41.2
79.05482	18.2
81.03404	5.4
81.07052	11.7
83.05005	4.6
84.08136	6.5
85.02907	15.5
85.06541	5.7
86.09720	14.5
91.05485	95.4
92.05784	5.3
93.07058	27.8
95.04966	11.9
95.08587	6.4
97.02882	12.1
97.06519	4.6
99.04461	11.1
102.05566	8.1
105.07037	69.0
107.04953	6.6
107.08583	25.6
107.82511	3.6
109.02886	5.5
109.06519	14.1
109.10134	5.5
111.04485	4.5
111.08083	4.8
113.80349	3.6
115.05455	7.1
117.07011	36.7
119.04934	18.6
119.08575	66.9
120.01180	4.4
120.06567	38.5
120.61623	4.0
121.06493	13.7
121.10085	7.9
123.08068	7.9
127.03923	7.1
128.06247	9.0
129.07021	14.1
131.08569	75.5
133.06494	9.9
133.10136	44.2
135.08060	30.1
137.06000	4.9
137.06967	3.7
137.08003	3.8
137.09689	4.2
141.07040	6.5
142.07765	27.7
143.05646	50.9
143.08585	15.2
144.08066	4.0
144.09251	5.3
145.02885	4.2
145.06511	6.1
145.10139	9.3
146.07251	4.0
147.04408	93.4
147.08041	40.0
147.11688	43.5
149.09589	20.1
153.48161	3.9
157.10123	53.9
158.09660	24.9
159.08067	47.7
159.11716	30.2
160.08803	8.8
161.09592	42.7
163.03998	5.1
164.07164	4.3
167.07085	7.1
175.07547	3.9
175.11179	100.0
176.10698	5.4
177.05495	8.7
184.11224	11.9
185.09657	15.4
186.09177	8.7
193.12234	10.6
202.12247	11.8
203.10678	88.1
204.08609	6.4
204.10199	27.8
205.12390	5.3
207.06541	4.5
209.15353	5.6
212.10843	5.0
221.11665	30.0
223.05989	9.9
227.39076	4.6
230.11732	14.5
248.12842	26.8
266.13962	5.5
291.20560	9.2
309.09613	16.5
309.21658	7.6
319.27359	4.7
328.25070	4.7
351.38580	4.0
352.13950	6.2
370.14795	5.3
385.19540	8.6
411.18796	24.4
471.20126	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.2
59.41701	0.1
60.05647	0.2
65.03943	0.1
67.05511	0.9
67.99244	0.1
69.03424	0.4
70.06584	0.4
71.17677	0.2
71.18012	0.1
72.08135	0.1
72.39347	0.1
73.04031	0.2
76.78779	0.1
81.03404	0.5
83.02483	0.2
83.05012	0.2
83.28602	0.1
84.04477	0.1
84.08118	0.3
85.02892	0.4
86.06050	0.5
87.04469	0.3
87.06715	4.1
89.02562	0.1
91.05479	0.1
95.04965	0.4
97.02895	0.4
107.04928	0.1
109.02880	0.4
111.05600	0.2
111.28288	0.1
113.04559	0.2
116.98665	0.1
117.28690	0.1
119.04961	0.3
121.06515	0.1
123.04449	0.2
125.04585	0.3
126.05434	0.1
128.08208	0.2
129.10223	0.1
131.04964	0.2
136.07515	0.1
137.06013	0.2
138.05498	3.1
139.03876	0.2
140.04474	0.1
141.04100	0.7
141.61801	0.1
142.04872	0.1
142.51682	0.1
143.05643	100.0
144.04117	0.2
144.06081	1.2
146.09222	0.2
147.04428	0.4
163.03903	0.2
166.05009	1.9
169.05048	0.2
175.03932	0.2
177.05438	0.3
182.40620	0.1
185.06728	0.3
207.06516	0.2
237.02872	0.1
245.03539	0.1
290.13327	0.4
349.12155	0.1
470.15106	2.9
470.21402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
56.96548	0.9
59.06124	0.9
69.03423	2.2
69.07069	1.0
70.06577	3.0
71.04981	1.2
71.59041	1.0
72.08169	1.0
73.02950	0.6
79.53709	0.6
81.03411	1.5
84.04510	1.5
84.08147	1.1
85.02903	4.3
85.07655	1.2
86.09692	0.7
87.06698	2.3
91.05474	1.2
95.04982	1.5
97.02911	0.9
98.97556	1.3
109.02827	0.8
109.84018	0.6
111.04393	1.0
116.98602	1.6
119.04938	2.9
121.02888	0.6
123.04410	1.1
124.07631	1.1
127.03856	1.6
134.99669	1.2
135.04402	1.7
137.06032	0.7
139.03912	1.2
140.07100	1.0
143.05637	74.3
144.05991	1.3
145.02824	1.7
146.99657	0.7
147.04413	13.7
152.07091	0.9
153.89973	0.7
155.03461	0.7
157.04741	1.7
161.05968	0.9
163.03886	6.1
167.03444	0.9
167.07033	0.9
168.06541	1.4
169.04747	2.2
176.58290	0.6
177.01614	1.4
177.05472	2.0
185.04398	1.3
187.81953	0.6
188.20087	0.5
192.03926	14.3
193.04803	1.1
199.05804	1.7
201.00659	0.9
203.06891	0.7
213.00775	0.9
219.01669	0.9
237.02809	1.9
269.08038	0.6
279.06592	1.0
291.08786	0.8
301.08725	2.9
309.09653	1.1
309.25052	0.7
355.10062	1.7
373.04517	1.0
440.13101	1.4
441.13370	1.2
471.14703	100.0
472.15338	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	470.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65195	0.1
55.80136	0.1
56.05029	0.2
57.03431	0.2
59.20811	0.1
63.47515	0.1
67.05499	1.0
69.03419	0.3
69.22186	0.1
69.42409	0.3
69.42824	1.1
70.06580	0.5
71.04981	0.2
71.44624	0.1
73.06438	0.1
81.03413	0.7
84.08144	0.3
85.02907	0.5
86.06050	0.2
87.06712	4.1
91.05499	0.2
95.04950	0.6
97.02882	0.3
101.03496	0.1
109.02843	0.4
113.04584	0.3
115.06190	0.2
116.98643	0.2
123.04391	0.2
125.04630	0.2
126.03062	0.1
127.03894	0.1
128.07126	0.1
131.04930	0.2
137.06006	0.2
138.05493	3.2
141.04079	0.6
143.05635	100.0
144.06105	1.0
145.02908	0.2
147.04410	0.7
152.07071	0.1
163.03943	0.2
165.05463	0.1
166.04988	1.5
177.05487	0.2
181.04958	0.1
185.06726	0.2
207.06615	0.2
266.31076	0.1
290.13382	0.3
318.70822	0.2
470.15045	2.8
470.21384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.3
55.01861	17.1
55.05508	33.5
57.03430	12.5
57.07063	9.1
61.02916	16.4
63.47989	3.2
65.03953	4.0
67.05505	46.9
68.99786	15.4
69.03431	68.2
69.07065	31.9
69.40680	36.2
71.01369	5.1
71.04991	38.5
73.02898	7.0
79.05497	38.7
80.37990	3.5
81.03419	54.9
81.07056	100.0
83.04972	16.9
83.08620	14.9
85.02908	70.5
85.06504	5.7
87.00835	33.4
91.05481	45.3
93.07037	76.9
95.04964	27.0
95.08603	86.7
97.02886	34.4
97.06535	17.0
97.10173	12.8
99.04449	14.9
99.08071	5.2
103.03942	7.5
105.01867	12.9
105.07029	86.2
105.07686	7.3
107.04963	12.8
107.08588	70.0
109.02869	23.7
109.06506	14.2
109.10155	72.9
111.04446	11.6
111.08069	7.1
111.11703	5.8
115.03918	12.1
115.05441	6.4
117.07009	19.9
119.04955	5.1
119.08580	85.2
121.06516	18.1
121.10141	66.8
123.04424	25.6
123.08062	12.7
123.11711	45.1
125.09618	8.6
127.03916	34.8
127.11182	35.5
128.06256	8.3
129.01843	20.7
129.06999	15.8
131.08569	40.9
133.06508	11.8
133.10129	56.8
135.04407	7.2
135.08073	11.1
135.11674	40.3
137.06018	11.2
137.09579	11.7
137.13269	14.0
139.07536	4.9
139.11176	3.8
141.05446	4.2
141.07024	8.1
142.07755	12.0
143.05646	42.4
143.08540	26.4
144.09410	4.9
145.04941	8.0
145.06464	9.3
145.10132	53.7
147.02937	7.5
147.04369	5.1
147.08052	11.6
147.11691	50.0
149.06100	3.6
149.09583	10.4
149.13315	17.9
151.07481	6.8
151.11189	8.9
153.12704	8.9
155.08586	13.1
155.10582	4.4
156.09373	6.8
157.10136	36.9
159.02911	13.8
159.08029	7.3
159.11694	65.6
161.09590	14.1
161.13213	19.8
163.03909	5.5
163.07570	5.1
163.11176	6.6
163.14850	5.6
165.09143	9.3
165.12727	4.7
167.07060	4.2
167.08510	8.3
167.10785	4.5
168.09280	4.0
169.10098	13.5
171.08017	8.1
171.11687	26.2
173.09636	6.9
173.13315	23.7
175.07506	4.2
175.11205	9.7
175.14871	10.3
177.09210	5.5
177.12749	10.9
177.16371	8.4
179.08539	4.4
181.10124	4.4
181.86275	4.2
182.10953	5.9
183.11697	13.0
185.09641	5.9
185.13171	17.6
187.11264	7.5
187.14815	15.1
189.03896	8.8
189.09084	5.8
189.12782	10.1
189.16417	27.4
191.10699	8.8
191.14233	8.0
191.17932	8.9
192.09282	4.5
193.15826	5.1
193.19551	6.3
195.11610	3.9
197.13353	11.4
199.11140	6.4
199.14803	10.5
201.03983	5.4
201.12738	14.4
201.16400	28.1
203.10762	4.4
203.17899	28.8
205.15845	11.1
207.06523	6.8
207.11751	6.7
209.13368	6.3
213.16556	6.2
215.07121	4.7
215.18018	7.1
219.17473	10.8
221.19017	15.6
223.14879	7.1
225.12756	13.4
225.16310	4.9
227.14247	5.9
227.17929	12.2
231.04890	4.8
231.17451	9.2
233.19026	7.3
241.15923	9.1
243.13817	9.9
243.17513	8.6
245.19037	19.1
257.18896	6.0
259.09534	4.8
263.20084	9.9
277.10727	4.1
285.18564	3.9
287.20090	7.4
293.18884	10.2
311.19980	29.6
329.21140	28.4
415.21191	13.0
433.22028	13.5
451.23361	32.5
469.24603	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	469.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.1
55.01868	2.9
55.05501	0.5
57.03439	1.6
59.04990	0.5
61.02939	0.6
63.42264	0.3
64.58615	0.3
67.05516	0.4
69.03085	0.5
69.03433	8.3
70.06590	0.5
71.01362	0.3
71.05000	7.2
71.60667	0.4
73.02912	0.5
79.05492	0.5
81.03424	9.3
81.07050	0.8
83.04979	1.6
85.02882	0.9
86.09699	0.5
87.04462	0.3
91.05462	1.1
93.07010	0.6
95.04971	0.7
95.08607	0.5
96.95191	0.3
99.04459	4.5
101.06023	0.4
105.07059	0.6
107.04935	0.7
109.02884	3.6
116.05042	0.3
117.05493	1.5
118.06548	2.4
119.04845	0.4
119.08558	0.4
120.08146	0.3
121.02880	0.6
121.06542	0.4
123.04438	0.6
123.89151	0.3
124.07581	1.1
125.64500	0.3
127.03921	1.0
131.08604	0.4
135.11679	0.3
137.05988	0.7
143.05664	2.3
145.07610	4.6
145.10051	0.4
147.04352	0.6
147.09163	3.9
151.03897	0.3
162.07948	0.3
163.03903	0.3
163.08691	0.7
164.07072	0.6
166.57945	0.3
167.07036	0.8
173.07114	10.3
175.03989	0.4
175.07347	0.4
175.08688	4.8
177.05484	0.4
181.04991	0.4
190.07378	0.6
191.08165	100.0
192.08463	1.1
203.03430	1.1
203.08298	0.4
205.12102	0.3
207.06622	0.4
217.04944	0.5
231.11317	0.6
233.09341	0.5
259.06152	0.3
271.10959	0.4
289.11850	4.0
307.12897	60.3
308.06699	0.6
308.13220	0.7
321.07474	2.5
322.08456	0.7
325.13971	16.3
333.07343	0.5
335.09256	0.8
349.07144	1.0
351.08432	0.6
359.09140	0.4
363.08890	0.4
379.08081	1.3
387.08734	0.6
389.16907	0.4
397.13754	0.7
403.08307	0.5
405.09579	0.4
407.18051	0.8
409.09314	0.4
409.16159	0.8
415.14932	1.7
433.09164	2.6
433.16016	3.9
451.10178	2.6
451.16870	0.7
469.11349	1.6
469.20178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.3
55.01861	17.1
55.05508	33.5
57.03430	12.5
57.07063	9.1
61.02916	16.4
63.47989	3.2
65.03953	4.0
67.05505	46.9
68.99786	15.4
69.03431	68.2
69.07065	31.9
69.40680	36.2
71.01369	5.1
71.04991	38.5
73.02898	7.0
79.05497	38.7
80.37990	3.5
81.03419	54.9
81.07056	100.0
83.04972	16.9
83.08620	14.9
85.02908	70.5
85.06504	5.7
87.00835	33.4
91.05481	45.3
93.07037	76.9
95.04964	27.0
95.08603	86.7
97.02886	34.4
97.06535	17.0
97.10173	12.8
99.04449	14.9
99.08071	5.2
103.03942	7.5
105.01867	12.9
105.07029	86.2
105.07686	7.3
107.04963	12.8
107.08588	70.0
109.02869	23.7
109.06506	14.2
109.10155	72.9
111.04446	11.6
111.08069	7.1
111.11703	5.8
115.03918	12.1
115.05441	6.4
117.07009	19.9
119.04955	5.1
119.08580	85.2
121.06516	18.1
121.10141	66.8
123.04424	25.6
123.08062	12.7
123.11711	45.1
125.09618	8.6
127.03916	34.8
127.11182	35.5
128.06256	8.3
129.01843	20.7
129.06999	15.8
131.08569	40.9
133.06508	11.8
133.10129	56.8
135.04407	7.2
135.08073	11.1
135.11674	40.3
137.06018	11.2
137.09579	11.7
137.13269	14.0
139.07536	4.9
139.11176	3.8
141.05446	4.2
141.07024	8.1
142.07755	12.0
143.05646	42.4
143.08540	26.4
144.09410	4.9
145.04941	8.0
145.06464	9.3
145.10132	53.7
147.02937	7.5
147.04369	5.1
147.08052	11.6
147.11691	50.0
149.06100	3.6
149.09583	10.4
149.13315	17.9
151.07481	6.8
151.11189	8.9
153.12704	8.9
155.08586	13.1
155.10582	4.4
156.09373	6.8
157.10136	36.9
159.02911	13.8
159.08029	7.3
159.11694	65.6
161.09590	14.1
161.13213	19.8
163.03909	5.5
163.07570	5.1
163.11176	6.6
163.14850	5.6
165.09143	9.3
165.12727	4.7
167.07060	4.2
167.08510	8.3
167.10785	4.5
168.09280	4.0
169.10098	13.5
171.08017	8.1
171.11687	26.2
173.09636	6.9
173.13315	23.7
175.07506	4.2
175.11205	9.7
175.14871	10.3
177.09210	5.5
177.12749	10.9
177.16371	8.4
179.08539	4.4
181.10124	4.4
181.86275	4.2
182.10953	5.9
183.11697	13.0
185.09641	5.9
185.13171	17.6
187.11264	7.5
187.14815	15.1
189.03896	8.8
189.09084	5.8
189.12782	10.1
189.16417	27.4
191.10699	8.8
191.14233	8.0
191.17932	8.9
192.09282	4.5
193.15826	5.1
193.19551	6.3
195.11610	3.9
197.13353	11.4
199.11140	6.4
199.14803	10.5
201.03983	5.4
201.12738	14.4
201.16400	28.1
203.10762	4.4
203.17899	28.8
205.15845	11.1
207.06523	6.8
207.11751	6.7
209.13368	6.3
213.16556	6.2
215.07121	4.7
215.18018	7.1
219.17473	10.8
221.19017	15.6
223.14879	7.1
225.12756	13.4
225.16310	4.9
227.14247	5.9
227.17929	12.2
231.04890	4.8
231.17451	9.2
233.19026	7.3
241.15923	9.1
243.13817	9.9
243.17513	8.6
245.19037	19.1
257.18896	6.0
259.09534	4.8
263.20084	9.9
277.10727	4.1
285.18564	3.9
287.20090	7.4
293.18884	10.2
311.19980	29.6
329.21140	28.4
415.21191	13.0
433.22028	13.5
451.23361	32.5
469.24603	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	469.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01869	1.6
55.05515	1.3
57.03426	1.8
69.03431	10.1
69.47694	1.9
69.48119	3.2
71.01358	0.9
71.05003	5.2
73.02914	1.1
77.42320	0.6
80.31723	0.6
81.03422	23.8
83.04980	4.3
85.02880	1.7
87.31303	0.5
87.68406	0.5
91.05463	0.6
99.04462	10.7
103.03944	2.7
109.02887	9.8
117.05499	2.5
118.06529	2.5
127.03934	2.9
145.07582	4.7
147.09180	7.8
162.07907	0.7
163.08684	1.0
173.07112	9.9
175.08682	10.6
191.08167	100.0
192.08510	2.0
199.08580	1.2
204.08952	0.9
205.46388	0.6
233.09183	0.7
234.61748	0.6
242.65669	0.6
271.10843	2.7
289.11813	8.7
307.12903	39.0
325.13959	33.5
331.12897	8.2
349.13983	7.7
367.48154	0.7
371.16043	2.9
389.17148	3.1
397.13947	6.5
415.15060	12.6
433.16113	10.8
433.21582	0.5
451.17139	9.7
451.94730	0.8
469.20166	1.1
469.33298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
51.73772	0.3
53.03944	0.3
55.01863	0.4
55.05501	0.6
56.96562	0.3
57.03447	1.4
61.02928	1.0
65.03935	1.7
67.05505	1.3
68.99788	2.6
69.03432	5.1
69.07070	0.6
71.01347	0.2
71.04987	0.4
76.03161	0.4
77.03940	0.6
77.58160	0.2
79.05486	1.2
81.03426	1.8
81.07049	2.0
83.08618	0.4
85.02921	1.2
87.00832	0.3
89.03932	0.8
91.05480	26.0
93.07041	1.1
95.04973	0.8
95.08612	0.9
97.02879	0.5
97.06530	0.3
99.04436	0.4
101.02385	3.8
103.05457	1.0
105.03378	0.6
105.07008	1.3
107.01292	0.3
107.04969	0.4
107.08585	1.1
109.02870	2.3
109.06532	0.9
109.10152	1.1
117.06976	0.5
118.04169	0.5
119.03504	6.9
119.04939	35.8
119.08598	0.9
121.02836	0.4
121.10098	1.4
123.04420	0.7
123.08059	0.9
123.11739	0.3
127.03928	3.1
128.06142	0.3
129.01831	3.4
129.03357	0.4
129.06984	0.5
131.04941	0.5
131.08582	0.4
132.02068	1.7
133.02821	0.7
133.06493	0.7
133.10161	0.6
135.04402	0.7
135.11732	0.3
136.05162	0.7
143.03404	1.1
145.02837	0.8
145.10121	0.4
147.04407	31.6
147.11684	0.5
148.04834	0.2
149.02321	1.0
149.05975	0.3
150.03093	0.3
151.11107	0.4
153.05421	0.4
157.03964	2.6
157.06427	0.4
159.08070	0.5
159.11610	0.3
161.04451	4.2
161.05971	1.0
162.03059	0.3
163.03922	0.3
163.11203	0.3
164.04688	1.0
167.07043	1.9
169.06396	0.4
175.03903	54.0
176.04425	0.5
177.05493	0.4
178.02588	0.3
179.07001	2.0
185.05951	0.4
187.07491	0.6
188.04698	0.3
189.05452	0.6
191.07050	0.8
192.04178	0.4
193.08665	0.4
203.14311	0.5
207.06522	100.0
208.06877	0.7
213.05498	0.5
215.06909	0.6
219.06578	1.0
221.08125	0.8
231.06549	1.1
241.05022	0.4
245.08154	1.5
247.06087	0.6
247.09686	0.4
249.07585	0.9
261.07529	0.5
263.09122	2.7
271.09848	0.5
273.07471	0.9
283.06213	0.4
287.09122	1.4
291.08655	4.9
315.08624	3.2
333.09674	0.9
351.10693	0.5
364.72476	0.3
372.15173	0.3
451.12314	0.3
469.13385	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	469.1342
Annotation	Catechin-4-ol 3-O-beta-D-glycopyranoside
Peak:m/z	Relative Intensity
53.03934	1.0
55.01862	0.8
56.05009	0.6
56.96552	1.5
57.03422	0.6
60.04510	0.6
61.02914	3.5
65.03927	1.4
68.99780	1.0
69.03417	2.4
70.06596	0.7
70.89104	1.2
73.02916	1.2
74.06046	0.6
81.03400	1.2
81.07043	0.5
83.04966	0.8
84.24205	0.6
85.02906	6.1
89.03927	1.2
91.03945	1.9
91.05511	0.9
93.03396	0.9
95.04944	0.7
97.02885	2.9
98.97592	0.6
99.04443	0.9
107.04914	1.0
109.02861	1.4
111.04437	9.7
116.98599	0.6
117.03352	0.7
120.08110	0.7
123.04417	4.4
124.07511	0.6
127.03907	1.9
128.24774	0.5
131.32181	0.6
135.04398	6.7
136.07544	1.1
137.02345	9.8
137.03351	0.7
139.03900	100.0
140.04172	1.0
143.05644	3.1
145.02852	1.0
147.04405	2.0
149.05988	1.5
151.03900	9.5
156.45450	0.6
159.04477	0.8
163.03915	11.5
171.11227	0.9
175.03893	1.5
177.05490	4.8
179.03537	0.7
181.04990	4.8
193.04938	1.2
201.05440	1.3
205.04958	10.6
217.04947	2.0
235.06065	1.9
247.05997	2.5
261.07639	2.0
265.07108	2.8
283.08133	6.9
289.07101	16.7
301.06726	0.8
307.08102	5.1
313.07037	2.2
325.07312	0.7
331.08167	1.4
355.08075	2.5
365.73065	0.5
367.07797	0.7
397.09277	0.8
451.11856	0.9
469.12991	0.9
469.18948	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50611	0.9
55.05506	11.7
57.03423	2.3
57.07073	34.4
59.04997	2.7
62.31052	1.0
65.03922	2.3
67.05505	100.0
69.07063	8.9
70.70329	0.9
71.04989	2.8
71.08630	25.6
71.60915	1.4
79.05481	3.7
81.07054	27.5
83.08617	16.1
85.06548	3.5
85.09711	1.5
85.10181	14.5
89.06024	0.9
91.05474	7.4
93.07034	3.8
95.08607	24.2
97.10157	5.4
99.11775	1.0
107.08555	1.7
109.10154	80.4
110.10445	1.0
111.08083	3.5
119.08591	5.7
123.11679	5.3
125.13291	1.2
132.56667	1.0
137.09641	3.2
137.13249	2.0
155.10693	3.5
165.16251	1.0
173.11734	23.8
221.22774	1.5
221.79854	1.1
239.23622	6.4
467.37326	78.2
468.37534	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	469.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52676	0.6
53.03918	0.6
55.05501	1.2
57.03410	1.9
69.03431	5.8
70.06575	1.9
71.04967	0.9
71.60463	0.8
72.08116	0.8
72.73858	0.5
73.02906	0.6
73.80193	0.5
79.05485	1.0
81.03392	1.2
81.07042	1.6
83.04980	0.8
84.08127	0.9
85.02893	3.9
87.04459	1.2
91.05453	1.9
93.07023	1.1
94.25951	0.6
95.04967	1.4
97.02882	3.6
98.09679	0.8
100.11208	1.3
104.66840	0.6
105.07001	1.2
109.02866	0.9
111.04430	1.4
115.03909	0.9
120.08101	7.5
121.02837	2.3
121.10156	0.6
123.04409	1.7
125.43409	0.5
127.03905	1.2
130.06555	3.7
132.04431	1.2
133.06479	0.7
136.07549	0.6
137.05931	1.6
143.05603	2.8
145.02844	0.6
147.09132	1.6
151.03809	0.9
155.07008	0.6
157.07599	1.2
158.05994	1.3
158.25117	0.6
161.05969	0.7
163.03853	0.9
167.06996	1.1
175.03629	1.2
175.08725	1.2
177.05414	0.7
181.04866	0.6
183.06430	1.5
185.04216	3.0
191.03294	1.0
191.08173	3.8
191.10663	0.7
203.03354	2.0
213.09055	0.7
217.04817	1.1
221.04616	0.8
232.07051	1.3
252.09404	0.9
277.10675	2.1
304.12878	0.7
305.06332	3.5
305.15192	0.8
307.12741	2.1
309.07465	0.8
317.08441	28.0
317.12204	1.4
318.31213	0.8
321.07489	3.6
325.13837	1.5
333.11954	1.3
335.09186	1.2
337.08688	1.7
349.07056	1.6
350.14883	1.1
351.08401	1.3
379.07834	1.6
385.71472	0.7
405.09448	0.9
433.09116	4.0
437.10446	3.8
451.10202	3.4
451.32605	1.7
469.12943	100.0
469.33731	1.9
470.13208	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.9
57.07076	33.1
59.04993	3.7
65.03943	1.5
67.05505	100.0
69.07077	7.5
71.04970	2.2
71.08278	2.3
71.08635	22.0
79.05483	4.4
79.68726	1.4
81.07056	22.7
81.89297	1.4
83.08625	11.8
85.06544	2.3
85.10172	12.2
91.05470	5.4
93.07034	2.8
95.08607	24.2
97.10167	4.1
99.11752	1.8
107.08590	2.7
109.10156	77.4
110.10506	1.7
111.11727	2.1
119.08590	6.0
123.11722	5.6
137.09595	4.5
137.13246	2.6
150.85619	1.5
154.37483	1.4
155.10699	3.9
173.11749	22.8
221.22687	1.4
239.23747	7.2
358.79483	1.5
467.37326	79.6
468.37543	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.3
56.50623	1.2
57.07077	34.5
58.50743	1.7
59.04992	4.4
65.03944	1.9
67.05506	92.1
69.07078	8.6
69.41138	2.7
69.41530	13.0
71.04973	2.7
71.08635	26.7
81.07058	25.1
83.08624	13.6
85.06549	3.4
85.10182	12.7
89.06034	2.4
91.05474	7.8
93.07059	3.2
95.08605	27.3
97.10181	5.8
101.00179	1.4
107.08598	3.3
109.10158	83.9
111.08090	4.3
119.08604	5.4
123.11691	4.6
127.73254	1.4
137.09616	3.2
137.13228	1.9
141.32057	1.5
151.14774	2.3
155.10689	5.0
160.00035	1.5
162.58372	1.3
173.11743	25.4
185.25699	1.4
215.41541	1.3
239.23721	7.0
467.37338	100.0
468.37720	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	467.1888
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
58.06559	0.4
66.89381	0.4
69.03425	0.6
69.71316	2.3
70.06597	0.6
72.08147	1.0
73.02895	0.3
80.20599	0.3
83.04987	0.4
84.08127	0.4
85.02926	0.7
89.06048	0.5
91.05472	3.7
93.99315	0.4
95.04968	0.9
97.02892	1.0
99.04427	0.5
109.02868	0.4
110.06004	0.4
119.04950	7.0
121.02902	0.4
123.04431	1.8
127.03915	0.7
129.10323	0.4
135.04431	0.9
136.07599	0.5
137.02316	0.5
137.05998	0.6
139.03897	1.0
143.05669	1.6
147.04407	23.1
148.04773	0.5
151.03790	0.4
153.01871	1.2
154.76469	0.3
163.03894	1.2
165.05678	0.4
167.07053	0.8
171.05014	1.4
175.03912	1.1
177.05539	0.8
207.06543	1.3
231.06589	0.9
249.24925	0.4
259.06027	0.7
261.13367	1.0
275.11566	0.4
279.14404	4.9
287.05530	0.5
287.12445	2.0
297.15427	2.8
303.08621	2.4
305.06332	0.5
305.12518	1.6
323.13409	5.5
347.13394	4.6
365.14404	4.0
376.85513	0.4
449.17719	2.2
467.18896	100.0
468.19296	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.6
53.03941	0.7
55.05512	13.1
57.03438	1.5
57.07079	34.6
59.05008	4.1
65.03936	2.0
67.05507	99.7
68.05840	0.6
69.03403	0.7
69.07068	9.8
69.92863	3.1
71.04987	3.7
71.08231	1.3
71.08633	25.3
75.27578	0.7
79.05508	3.3
81.07059	27.7
83.08619	14.4
85.06558	3.5
85.09719	1.1
85.10192	12.9
87.82275	0.6
88.45049	0.6
88.73062	0.7
91.05467	5.6
91.26905	0.7
93.07057	3.8
95.08611	25.7
97.10175	6.2
99.11752	1.2
107.08595	2.2
109.10159	81.2
110.02394	0.7
110.10561	0.7
111.08093	2.5
111.11742	1.9
119.08598	5.9
123.10956	0.9
123.11700	4.1
125.13274	1.5
137.09613	2.5
137.13280	1.8
155.10707	3.7
173.11740	29.7
221.22577	1.4
239.23685	9.6
241.72633	0.7
467.37347	100.0
468.37726	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.119
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
53.03950	1.4
55.01875	3.0
55.05507	1.6
56.05049	1.3
56.21159	1.5
57.03439	2.0
60.04531	1.5
61.02916	1.7
65.03951	3.7
67.05511	3.2
68.99796	3.6
69.03428	6.1
70.06596	6.7
71.04985	4.0
71.59576	2.4
72.08156	23.1
79.05502	2.6
81.03403	5.4
83.04978	3.1
84.08125	3.5
85.02914	11.2
86.09702	2.5
89.03917	2.2
89.06013	2.7
89.99629	1.7
91.05489	16.6
93.07049	1.6
94.06596	2.9
95.04962	5.8
97.02884	6.5
99.04436	1.9
101.07189	1.5
107.04945	3.5
109.02890	4.7
110.07159	1.4
111.04430	6.4
116.98624	3.5
117.03414	2.3
119.04939	28.7
120.08117	2.6
121.02872	5.5
122.06039	1.5
123.04440	28.7
127.03905	6.5
129.10126	1.5
133.02908	2.0
135.04430	5.3
136.07559	1.8
137.02327	9.9
137.05933	7.5
139.03880	11.2
143.05673	5.7
145.02875	4.9
145.05008	2.2
145.06409	1.5
147.04414	100.0
148.07521	1.5
149.02350	35.3
149.05920	1.4
150.03105	1.6
151.03961	4.5
153.01834	51.1
157.06454	1.6
157.25522	1.4
161.02327	2.4
161.06050	2.0
163.03920	12.5
165.01836	1.9
165.05447	2.0
167.02184	1.5
167.03384	7.9
167.07076	2.0
175.03859	2.6
177.05496	7.6
179.03430	3.8
183.02895	3.5
185.05940	3.2
191.03403	2.7
195.02898	16.5
203.03416	2.6
205.05014	1.5
207.06519	4.2
213.05524	6.0
217.04977	2.1
219.02945	2.0
231.02983	2.2
231.06503	28.4
235.06046	1.6
241.05009	3.8
249.03777	2.4
258.05084	3.0
259.06036	32.0
283.06113	2.2
287.05569	18.2
303.05017	6.9
303.08630	12.0
304.05386	6.0
305.06436	41.5
305.14832	1.9
312.29269	1.5
329.06516	4.6
347.07803	1.6
385.09207	1.5
467.18668	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	467.1183
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.42946	0.8
53.03933	1.6
55.01863	3.1
56.05035	1.4
57.03435	1.9
61.02929	1.4
65.03938	1.7
67.05517	2.1
68.99793	12.4
69.03423	2.6
69.07067	2.0
70.06597	5.7
71.04986	1.0
71.59151	2.1
72.08148	1.9
72.30344	0.9
73.02913	1.8
74.06071	1.0
74.57069	0.9
77.55752	0.8
79.05495	1.6
81.03416	6.4
81.07030	1.4
83.04990	1.5
84.08150	1.9
85.02906	11.1
85.06538	1.1
86.09700	2.5
87.06709	1.5
89.03907	1.6
91.05482	8.4
93.07053	1.6
95.04966	3.1
97.02881	4.2
97.06601	1.1
99.04449	1.0
103.03930	2.2
103.05467	1.3
104.59834	0.9
105.07037	1.4
107.04970	3.8
109.02882	4.5
110.06017	1.2
111.04458	4.1
116.07043	0.9
117.03398	2.1
119.04939	14.3
120.08101	1.2
121.02870	3.5
121.06459	1.3
122.03628	0.9
122.06042	1.1
123.04421	11.5
124.07601	1.6
125.02345	1.5
125.05984	4.5
127.03909	5.3
131.04906	1.5
132.14162	0.9
135.04399	9.5
136.07564	1.5
136.92323	0.8
137.02341	100.0
137.05940	10.0
138.02664	1.3
139.03897	9.4
143.05643	52.8
145.02872	3.4
145.06552	1.2
147.04404	51.1
148.04822	1.3
149.05992	1.6
151.03893	9.9
153.01823	10.3
153.05540	0.9
159.04417	1.5
163.02547	1.8
163.03905	30.8
164.07082	1.6
165.01831	8.2
165.05482	2.3
167.07056	1.4
169.04944	1.5
171.02983	1.2
175.03908	2.8
177.00627	0.9
177.01877	7.4
177.05518	3.3
178.04926	1.6
179.03380	19.6
179.04887	1.2
181.04987	1.0
181.06511	1.1
183.02902	9.9
191.03395	7.0
193.05038	6.8
195.02899	23.2
197.04532	1.8
205.04970	9.9
206.04474	2.9
207.02957	1.4
207.06567	2.8
209.04379	1.4
217.04987	4.1
219.02902	20.5
222.15077	1.7
229.05060	1.1
231.02911	3.8
235.06004	2.8
239.05434	1.1
249.03961	4.9
253.07164	1.5
259.09619	1.5
261.03903	8.9
261.12769	1.1
269.09067	1.3
279.04922	5.1
287.09143	1.6
287.13721	1.8
297.06012	12.6
299.05466	11.3
303.08606	4.7
305.06470	1.8
305.10947	5.6
305.14743	1.8
305.20691	1.8
311.05460	5.4
315.07263	1.7
317.06378	1.6
329.06522	18.2
347.07553	2.3
353.06580	3.2
360.08478	1.2
371.07620	4.0
383.07648	7.0
395.07480	1.5
413.08649	4.0
429.59482	1.1
431.09418	5.3
449.10318	2.7
449.18732	1.2
467.09387	1.5
467.15414	3.4
467.26694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01869	2.0
55.05518	7.6
56.96560	2.5
57.03439	9.6
61.02923	2.7
63.98452	1.3
66.61684	1.3
67.05173	2.3
67.05505	24.7
69.03431	5.1
69.07065	10.1
69.50938	3.8
69.51357	7.6
70.06609	3.3
71.04968	3.2
73.02910	1.9
74.58311	1.3
78.10475	1.1
79.05491	12.1
81.03427	4.6
81.07055	37.6
81.30630	1.3
83.04984	3.9
83.08609	4.9
84.08124	1.7
85.02908	5.9
85.10076	1.4
91.05496	12.5
93.07041	18.2
95.04971	4.5
95.08595	12.5
97.02893	3.3
97.06538	5.0
97.10178	1.8
99.08073	1.8
100.29039	1.4
104.04189	1.5
105.07027	5.8
107.05011	1.3
107.08586	13.6
109.02886	2.5
109.06516	2.7
109.10165	4.0
111.08073	3.9
117.07008	3.6
119.04942	2.0
119.08623	2.3
121.10137	9.8
122.06029	2.8
123.04487	1.6
123.11779	2.0
127.03913	3.8
129.44962	1.5
131.08574	5.6
133.10130	5.1
135.08046	2.5
135.11699	4.4
136.42796	1.2
137.05969	4.4
138.05519	2.6
143.05629	16.7
145.02847	1.6
147.04431	3.5
147.11671	2.2
149.13284	15.5
153.01872	1.5
159.11697	7.6
161.05896	1.4
162.05534	4.1
167.07060	1.6
175.04034	1.3
177.00697	1.7
177.05473	2.4
177.12750	7.0
179.14337	1.8
191.05299	1.5
195.13855	8.1
207.06555	2.2
243.06206	2.2
257.04553	2.2
257.12769	1.7
258.04932	4.6
258.13300	1.8
269.17474	100.0
270.18015	1.6
272.23492	1.6
286.04297	1.6
287.05200	3.2
304.13547	2.4
448.64197	1.8
451.15341	1.7
466.12000	8.3
466.28619	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93323	1.2
53.03942	3.9
55.01847	1.0
57.03424	3.6
69.03419	9.5
70.91407	2.5
70.91739	1.3
71.04987	20.4
73.02905	1.4
74.92452	1.2
79.05458	1.6
81.03420	8.9
83.04971	4.8
85.02897	20.9
89.06026	100.0
97.02894	35.8
99.04441	4.9
103.03955	10.0
107.04958	7.4
108.04478	4.3
109.02898	5.8
111.04437	8.7
119.04922	1.7
121.06460	1.5
123.04461	3.3
123.48342	1.2
125.06013	2.3
126.05489	1.8
127.03915	13.7
135.04442	3.1
135.06519	8.7
139.03882	11.0
145.04951	12.7
146.93907	1.0
147.04376	4.1
149.05936	1.8
151.03691	1.2
155.06975	1.2
157.04881	1.3
158.29474	1.1
159.06493	2.3
163.03899	14.9
167.07062	2.1
171.06535	16.8
173.08113	4.7
175.06064	2.3
177.05371	2.6
181.04887	5.2
183.06421	1.1
195.06517	18.8
197.08096	2.1
201.05527	1.4
201.07497	1.1
205.04962	3.0
207.06494	3.8
209.08084	2.2
213.07591	15.7
215.09114	2.0
219.08653	12.1
222.05229	1.2
233.08090	2.6
237.07576	22.0
261.07370	11.1
261.09760	4.3
279.08591	18.1
297.09711	5.0
304.05289	1.6
326.64420	1.2
467.19019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07534	1.0
52.87902	0.9
53.03936	1.5
55.01864	2.2
55.05503	1.3
55.81665	1.0
57.03442	1.4
59.67527	1.1
61.02919	3.5
63.24257	1.0
63.43477	0.9
65.03914	1.7
67.05495	3.0
68.99793	1.5
69.03420	6.3
69.41139	7.7
70.06578	1.1
71.04997	1.7
72.47466	0.9
79.05477	2.4
81.03410	4.6
81.07059	4.1
83.04951	1.4
85.02905	26.1
89.23965	1.2
91.05492	5.1
93.07058	2.8
94.06559	1.3
94.07407	1.0
95.04953	1.2
95.08592	2.2
97.02889	6.4
99.04495	2.0
105.07021	1.5
107.04963	9.1
109.02886	3.8
109.10217	1.1
119.04951	5.9
121.06550	1.6
121.10146	1.1
122.06051	1.7
123.04408	3.2
127.03915	3.9
133.02876	1.2
134.03659	1.8
135.04422	14.5
137.05981	4.6
140.07077	1.2
143.05644	6.7
143.08556	1.5
145.02805	1.5
145.04973	4.7
147.04416	10.6
147.11658	1.2
148.12018	1.3
149.05992	3.7
150.03154	5.7
153.05453	6.8
153.06619	1.0
154.06090	1.2
161.06076	1.6
162.03093	6.8
163.03905	32.9
165.05481	12.6
177.05475	74.2
178.06174	5.5
180.08720	2.1
181.06487	3.7
185.05916	1.4
193.04994	11.3
199.07562	3.7
204.06555	1.7
209.06104	2.2
217.08212	1.9
218.08591	1.6
226.06224	1.7
227.07050	8.5
237.05389	1.7
241.08609	1.2
255.06497	6.5
259.09665	16.9
269.08133	2.1
269.17386	1.5
272.06808	4.4
278.86288	1.1
280.88580	1.1
287.09131	100.0
288.09528	3.4
304.05319	2.2
353.10001	1.2
380.13901	1.3
383.27078	1.1
422.15134	7.1
466.14029	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	465.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01870	9.0
55.05514	23.4
57.03439	10.1
57.07081	10.3
67.05501	12.6
69.07070	24.3
69.28032	3.9
69.28456	7.1
71.08640	5.9
73.02924	6.9
79.05494	5.7
81.03419	1.4
81.07058	14.5
83.05002	1.4
83.08145	1.7
83.08617	22.1
84.38532	1.1
85.06525	1.1
85.10176	3.8
91.05498	2.8
93.07034	7.4
95.04933	2.1
95.08613	10.5
97.06519	3.7
97.10175	15.1
98.20718	1.8
98.98469	49.3
105.07011	1.8
107.08575	5.7
109.10160	5.8
110.03662	2.6
111.08073	1.8
111.11709	3.6
116.99492	1.1
119.08567	1.1
121.10149	6.9
123.11699	3.4
125.09632	1.7
129.05460	3.7
133.10120	2.1
135.11707	3.7
135.25591	0.8
137.00000	3.5
137.13292	1.6
141.14558	0.9
145.10149	1.1
149.13309	2.6
155.01045	39.6
157.10120	1.1
160.04233	1.0
166.63243	0.9
191.00162	2.1
193.02692	0.9
193.12196	1.1
193.58003	0.9
211.03705	2.3
219.21124	2.3
224.81848	1.0
229.04713	2.2
237.22108	11.6
239.23759	1.7
303.04926	2.0
311.25809	100.0
312.26190	2.3
315.64096	1.0
373.21368	0.9
433.56781	1.1
447.25040	15.0
465.28671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74865	0.8
53.03941	1.9
55.01876	7.6
55.05510	2.3
56.05028	2.0
57.03434	1.9
59.20854	0.8
60.04498	1.3
60.46411	0.8
61.02921	3.6
63.87057	0.8
69.03431	11.5
70.06593	4.1
70.53745	2.7
71.04990	41.7
73.02913	2.4
80.05014	1.3
81.03420	4.2
82.06566	2.1
84.02586	0.9
85.02912	11.5
87.04465	2.4
88.07639	1.6
89.00776	0.8
92.05005	1.1
94.06573	1.4
95.04953	1.0
97.02888	6.3
98.06053	62.8
98.97610	1.1
99.04449	35.4
109.02871	1.4
109.06516	1.2
110.06039	4.0
111.04465	1.0
112.07627	1.9
114.05550	1.1
115.08702	2.9
116.07088	32.0
117.05404	1.2
121.27278	0.7
124.07635	1.4
125.06016	1.1
126.05499	1.1
127.03893	2.9
135.04427	1.1
137.04819	1.4
138.05525	6.4
140.07068	4.9
142.08614	4.3
143.05672	1.0
148.07497	4.7
152.07082	6.1
153.05510	1.1
154.08696	1.6
154.16019	0.9
157.09764	2.0
162.05481	1.9
162.09161	1.4
164.07065	1.4
166.08661	1.3
170.08154	2.2
176.07069	18.0
178.08678	4.8
180.10280	1.6
188.09154	10.9
190.08615	8.8
192.10170	1.3
194.08095	2.5
197.68753	1.0
200.07208	1.7
203.13962	2.0
204.06534	2.0
206.08141	1.2
208.09712	2.2
210.11391	1.3
218.08127	12.2
220.09683	1.8
232.09709	1.7
235.08359	2.1
235.10739	24.3
236.09218	1.4
237.02814	1.2
238.10706	5.4
250.10741	13.9
257.15033	2.1
268.11777	1.2
285.14481	4.8
286.12811	1.8
303.15497	100.0
304.13763	1.9
429.18796	1.5
447.19647	1.5
457.32153	0.9
465.20813	86.1
466.21048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.9
55.01826	4.0
55.05484	1.6
56.05000	1.2
57.03395	2.2
61.02871	3.4
66.21652	0.7
68.18407	0.7
69.03431	10.2
70.06538	2.5
71.04993	27.6
73.02867	0.9
75.57786	0.8
75.67485	0.7
81.03412	3.5
81.20850	0.7
82.06530	1.4
84.04457	0.8
85.02912	11.3
86.06055	0.9
87.04436	1.5
88.07549	1.2
89.03853	0.8
91.03871	0.8
92.04946	1.1
95.04953	0.7
97.02888	5.8
97.06499	0.7
98.06058	55.1
98.97540	1.5
99.04458	26.2
109.02822	1.7
109.06521	0.9
110.06044	3.7
110.51476	0.7
112.07558	2.1
114.05527	0.9
114.80758	0.9
115.08652	2.1
116.07092	23.1
116.98612	1.2
117.03355	1.0
117.05460	1.3
120.08118	0.9
123.04396	0.9
124.07533	1.8
125.05993	1.1
126.05541	1.2
126.09200	0.9
127.03894	2.1
130.06395	0.9
135.04355	2.6
136.07520	0.7
138.05507	5.8
140.07079	5.1
142.08572	3.0
144.08038	1.3
145.04919	1.4
146.06003	1.5
148.07549	2.6
152.00673	0.8
152.07040	4.0
154.08539	1.6
157.09683	2.0
160.03665	0.8
160.07443	1.3
162.05481	1.3
162.09166	1.4
163.03912	5.3
164.07101	0.9
166.08725	1.8
170.08046	1.1
176.07072	14.4
177.07736	0.9
178.08569	3.3
186.11212	1.0
188.09137	9.0
189.00650	0.8
190.08604	5.5
192.10072	1.5
194.08089	1.9
200.07060	1.7
200.98241	1.2
203.13933	1.6
204.06477	1.3
206.08086	1.4
208.09615	1.1
210.11288	0.9
218.08112	9.5
219.08559	0.8
220.09644	2.0
222.48711	0.8
224.97328	0.9
232.09674	1.3
235.08414	1.8
235.10732	21.7
236.09181	1.6
238.10707	5.3
250.10730	12.3
254.10265	0.9
261.02847	1.0
267.13562	1.0
268.11841	2.0
284.96329	1.0
284.99435	2.3
285.14429	6.5
286.12866	2.9
303.15518	100.0
402.99860	0.9
447.20074	1.6
462.93820	0.9
465.20883	76.0
466.21078	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
57.03421	1.3
59.06073	0.9
67.05505	2.6
68.99779	1.3
69.03428	5.0
69.07073	2.4
70.06597	3.7
70.74138	2.2
71.05007	2.0
72.08134	1.5
73.02957	1.0
78.28880	0.9
79.05492	1.5
81.03423	2.8
81.07054	1.8
84.04518	1.4
84.08142	1.9
85.02919	6.8
86.09724	1.7
91.05471	2.9
94.06564	1.1
96.04501	1.1
97.02887	2.1
97.06526	1.0
98.97603	1.1
99.04473	1.3
105.07077	1.6
106.06539	1.3
107.04992	1.1
107.07350	1.6
108.04517	1.1
110.06047	1.9
111.04446	1.8
117.07056	1.1
119.04931	1.2
120.04456	1.2
120.08098	2.3
121.02892	1.7
122.06061	3.7
123.04420	2.3
124.07603	1.3
127.03941	2.6
128.06151	1.0
132.08093	1.7
133.01372	0.9
134.05994	4.6
135.04414	1.6
136.07613	3.1
137.02394	1.8
137.06024	1.5
139.03897	2.1
140.07091	2.7
141.38557	0.9
142.08678	1.1
143.05606	1.8
144.13863	1.5
145.02870	1.0
146.06049	5.2
147.04416	1.8
147.06659	1.0
148.07597	6.1
152.07118	3.4
160.07581	3.0
162.05557	5.8
163.03996	1.4
164.07091	1.7
166.08701	1.2
167.07121	1.0
168.06609	2.1
169.01343	2.7
172.07616	1.5
174.05350	1.2
174.07886	2.0
174.09250	1.4
175.03969	1.7
176.07158	2.3
177.05515	2.2
178.08606	1.9
179.11798	2.5
180.06499	1.2
183.04414	1.1
184.07393	0.9
186.09258	2.0
187.08615	2.0
188.07109	1.0
189.20412	1.0
190.08737	1.8
194.08174	4.4
197.12889	13.5
198.09213	2.0
199.08699	4.1
200.06970	1.1
200.09296	1.4
201.10248	3.6
202.08696	1.3
202.10736	1.5
206.08318	1.2
207.06636	2.4
213.10226	5.2
214.08696	3.4
214.11000	3.6
215.08293	1.6
215.11829	5.8
215.13760	1.8
216.12561	1.6
225.10287	1.7
225.25032	1.0
226.10855	1.3
227.08258	1.9
227.11694	5.0
228.08983	1.8
228.12674	1.4
229.04909	1.7
229.09685	4.1
229.13394	2.6
232.09758	1.8
239.11807	3.2
241.07658	1.1
241.09680	5.5
241.13373	2.4
242.08174	1.9
242.10562	3.3
243.11336	4.2
253.13582	1.7
255.11293	11.4
256.12161	2.5
257.04489	1.1
257.12903	2.9
259.11008	2.6
260.11447	1.9
267.11221	2.2
269.09531	1.6
269.12930	7.0
270.13635	2.3
271.11047	1.1
271.14066	1.4
271.16656	5.0
273.12421	3.8
274.13196	1.7
275.13953	3.6
279.11163	1.4
281.12878	3.2
283.10843	3.1
285.12430	2.1
287.11099	1.4
287.14017	8.8
289.17517	3.5
295.11008	1.4
295.14432	1.7
297.12357	6.3
298.13226	2.3
299.13919	16.0
301.11859	3.3
302.12622	2.3
303.04993	37.2
303.13248	8.9
303.22803	1.2
304.05295	1.7
309.12341	1.2
311.13455	1.4
313.11826	1.5
315.05246	3.3
315.13412	35.7
316.14166	18.2
317.14896	5.1
325.11908	2.6
327.13428	1.3
329.14813	1.8
337.15536	2.1
339.13400	1.8
341.06467	1.2
341.15002	1.5
343.12753	5.7
345.06122	2.2
345.14548	2.1
355.16486	3.5
357.14536	3.1
365.14999	2.3
369.14456	2.1
375.15558	11.3
383.16315	4.5
387.15582	2.7
393.14499	5.6
399.15515	18.1
403.15018	1.5
411.15536	11.6
419.18207	2.8
429.16602	39.5
430.17206	1.3
447.17670	76.2
448.17767	1.9
465.18759	100.0
466.18887	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	465.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27079	0.5
54.11228	0.4
55.01887	0.4
55.05506	2.0
56.30420	0.4
57.03428	1.1
57.07059	0.5
61.02943	0.7
65.03951	0.5
67.05513	4.0
68.67809	0.4
69.03425	2.3
69.07066	2.4
71.04976	1.3
71.60062	0.5
71.60559	0.9
73.02928	0.7
79.05492	2.1
81.03422	1.8
81.07063	7.4
83.04983	1.2
83.08612	0.7
84.08143	0.6
85.02905	2.3
85.06564	0.9
86.09685	0.6
91.03970	0.5
91.05489	4.2
93.07032	2.8
94.06594	0.6
95.04968	1.5
95.08610	2.9
97.02887	1.4
97.06526	1.4
97.10175	1.0
97.14069	0.4
99.04434	0.7
99.08110	1.0
105.07040	4.1
107.04939	0.7
107.08595	3.1
109.02895	1.4
109.06512	0.9
109.10163	2.3
111.08097	1.0
115.05382	0.5
117.07021	0.7
118.30803	0.5
119.08570	3.5
120.08125	0.9
121.02848	0.7
121.06554	0.7
121.10132	2.5
122.06042	2.9
123.04423	1.4
123.08072	1.0
123.11728	1.9
125.06050	0.6
125.09644	1.5
125.99725	0.4
126.99969	0.4
127.03928	1.8
129.07007	0.8
129.53781	0.5
131.08566	1.0
133.10161	1.0
135.04424	0.8
135.08005	0.5
135.11703	0.8
136.06207	1.3
136.07622	1.1
137.05992	1.7
143.05656	5.7
143.08557	0.6
145.02905	0.5
145.10136	0.9
147.04436	0.8
147.11717	5.4
149.09619	1.1
151.03883	0.6
151.07536	0.9
153.12941	0.5
157.10146	0.7
159.11668	0.6
161.05945	0.6
161.13275	0.6
163.03917	1.2
163.07544	0.6
164.07088	1.2
165.12779	1.9
167.07072	1.6
175.03922	0.7
177.05487	2.4
183.13840	0.6
185.04182	0.8
187.11140	0.7
193.08588	0.5
195.10275	0.7
201.05228	1.6
201.08386	0.6
201.10229	0.5
207.06583	0.7
216.07610	9.4
217.08359	10.2
227.05293	1.8
229.14287	1.2
251.11694	0.7
257.04626	0.8
267.15881	3.3
271.04071	2.8
285.11716	0.7
285.16928	8.6
287.06134	0.5
287.09137	2.6
303.04999	1.6
351.21152	0.5
379.13641	5.9
403.13367	0.8
421.14694	40.8
422.15009	1.2
429.30075	0.6
447.31653	0.7
465.13690	100.0
466.14038	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	465.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05507	0.9
56.96560	0.3
57.03421	0.3
57.07050	0.2
65.03912	0.5
67.01846	0.2
67.05502	2.4
68.99786	0.3
69.03413	0.4
69.07072	1.0
69.68904	1.1
69.69312	0.3
71.04976	0.4
77.90034	0.2
79.05488	1.6
80.77618	0.3
81.03391	0.6
81.07053	2.3
83.04958	0.7
83.08602	0.4
85.02911	0.3
85.06508	0.3
89.03881	0.2
91.04966	0.3
91.05478	3.4
93.07039	1.9
95.04971	2.6
95.08601	1.0
97.02890	0.2
97.06479	0.5
97.10162	0.3
99.08100	0.3
102.04694	1.6
103.05489	0.3
105.03339	0.3
105.07034	1.6
107.04905	0.5
107.08607	1.4
109.06501	0.7
109.10120	0.9
110.03656	1.0
111.04441	0.3
115.05426	0.4
117.03349	0.4
117.06994	0.5
118.04153	0.5
119.01630	0.2
119.04933	1.5
119.08526	0.8
121.06482	0.6
121.10085	0.7
122.03609	0.2
123.04426	0.7
123.08051	0.3
123.11694	0.4
124.05149	0.4
125.05942	0.3
125.09563	0.3
128.06206	0.2
129.06990	0.4
130.04160	1.7
131.04895	0.7
131.08519	0.8
133.06485	0.6
133.10112	0.9
135.04399	1.2
135.07990	0.4
135.11652	0.9
136.05197	1.3
137.02327	0.3
137.05988	1.0
139.11188	0.2
143.05716	0.2
143.08560	0.3
145.06476	0.3
145.10104	0.7
146.03630	3.4
147.04401	3.0
147.08054	0.2
147.11769	0.5
148.05190	4.2
149.05914	0.3
149.09550	0.3
149.13246	0.4
151.07550	0.3
151.11188	0.2
153.01830	6.5
153.05453	0.3
157.10091	0.4
159.11745	0.4
161.02264	0.2
161.05977	3.4
162.06732	0.9
163.03932	1.0
163.07567	0.3
163.11157	0.7
165.09134	0.2
171.02919	0.5
171.04256	0.2
177.12679	0.3
179.03325	0.2
183.02780	0.2
186.20454	0.2
187.11145	0.4
193.12309	0.4
201.05447	0.3
203.03407	4.9
205.12270	0.4
211.13219	0.4
213.05476	0.9
223.13228	0.4
225.05515	0.2
229.04958	6.1
237.14902	0.2
241.04973	1.5
242.05742	12.0
243.06010	0.3
247.58310	0.2
253.04962	4.0
255.06544	0.5
257.04453	52.8
258.05234	20.5
259.05783	0.6
269.04401	2.5
270.05203	2.1
271.06003	1.5
283.06079	1.0
285.03961	8.6
286.04724	33.3
287.05487	16.5
287.08929	0.3
288.05936	0.3
295.06000	0.6
297.03952	5.9
299.05551	1.7
300.06189	0.3
303.04861	0.5
311.05600	0.3
323.05734	0.2
327.04941	2.0
341.06421	1.4
345.07803	0.3
355.22745	0.2
359.09186	0.5
361.06851	0.3
373.07150	0.9
373.23676	0.5
375.08575	0.5
386.08102	0.3
387.08618	1.1
389.06564	0.9
391.08121	0.8
397.18872	0.3
403.08109	1.4
404.08948	0.4
414.07050	0.3
414.70969	0.2
415.08127	0.6
420.08215	0.3
431.07413	0.5
432.08353	2.4
435.10754	4.8
447.10760	15.4
447.27289	0.5
448.11108	0.5
465.11826	100.0
466.12128	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	465.1183
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
51.32647	0.2
53.03916	0.3
54.69398	0.3
55.01837	0.2
55.05489	1.0
56.96540	0.4
57.03414	0.5
58.51575	0.2
65.03911	0.6
67.01835	0.3
67.05502	3.1
68.99792	0.4
69.03402	0.7
69.07062	1.2
71.04977	0.2
71.61308	0.3
71.61687	0.3
73.02910	0.3
79.05116	0.3
79.05486	2.5
81.03396	1.1
81.07062	3.1
82.07389	0.2
83.04954	0.4
83.08592	0.6
85.02878	0.6
85.06503	0.3
89.03885	0.3
91.04960	0.3
91.05479	3.8
93.07045	2.3
95.04968	3.9
95.08603	1.5
97.06508	0.7
97.10146	0.6
102.04700	1.2
103.05418	0.3
105.07024	2.2
107.04933	0.9
107.08597	1.8
109.02923	0.3
109.06493	0.7
109.10152	1.3
110.03642	0.9
111.04401	0.4
111.08067	0.3
113.52090	0.2
115.05414	0.5
115.15792	0.2
117.03333	0.3
117.06999	0.9
118.04110	0.3
119.04951	1.6
119.08565	1.1
121.06454	0.4
121.10137	1.0
123.04436	0.7
123.08082	0.5
123.89926	0.2
124.05172	0.3
125.05962	0.5
125.09577	0.4
127.03891	0.4
129.06952	0.4
130.04158	2.0
131.04945	0.5
131.08542	0.9
133.06435	0.3
133.10118	1.0
135.04395	1.1
135.08038	0.3
135.11728	1.2
135.12645	0.2
136.05199	1.5
137.02328	0.3
137.05992	1.5
137.09599	0.5
143.05638	0.4
143.08574	0.4
145.02829	0.3
145.06451	0.3
145.10115	0.8
146.03624	3.1
147.04434	2.5
147.08115	0.3
147.11674	0.9
148.05205	4.0
149.09595	0.3
149.13275	0.4
150.06693	0.3
151.07581	0.3
153.01828	5.1
157.10133	0.5
159.11711	0.7
161.05972	3.1
162.06677	0.7
163.03905	1.0
163.11156	0.6
171.02940	0.4
171.11642	0.4
177.12871	0.3
181.12152	0.3
187.11180	0.6
189.12788	0.2
193.12187	0.5
197.05898	0.3
201.05540	0.3
203.03406	4.5
205.12256	0.5
213.05441	0.5
219.13843	0.3
223.13297	0.8
227.13004	0.3
229.04939	5.5
241.04942	1.1
242.05754	12.9
243.06062	0.6
253.04939	3.6
255.06526	0.4
257.04456	50.3
258.05228	19.0
259.05771	0.8
269.04486	2.1
270.05209	2.2
271.06046	1.3
283.06003	0.9
285.03958	8.6
286.04715	32.0
287.05484	14.6
287.08804	0.4
288.05753	0.4
295.05966	0.4
297.03955	5.2
299.05435	1.8
300.06201	0.4
303.04907	0.3
310.04721	0.4
311.05368	0.3
313.06976	0.3
327.05057	2.0
341.06424	1.5
345.07358	0.3
355.22504	0.6
373.07147	0.8
373.23846	1.3
375.08591	0.6
387.08557	0.9
389.06726	0.5
391.08200	0.6
403.08200	1.4
404.08868	0.5
414.07449	0.4
415.08252	0.7
432.08374	2.1
435.10733	4.2
447.10776	14.4
447.27319	0.5
448.11121	0.6
465.11826	100.0
466.12137	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
55.05503	0.3
56.96560	0.3
61.02920	0.2
65.03931	0.4
67.05495	0.4
68.99797	0.7
69.03416	0.6
70.06598	0.9
70.20203	0.7
71.04998	0.2
72.08137	0.3
79.05489	0.2
81.03405	0.6
83.01325	0.2
83.04967	0.4
84.04494	0.3
84.08119	0.3
85.02898	1.1
86.06046	0.2
86.09705	0.3
91.05477	0.2
93.03407	0.7
93.26031	0.1
95.04963	0.9
97.02885	0.4
98.20833	0.2
102.05601	0.1
105.07012	0.2
107.04971	0.2
109.02885	0.5
111.00810	0.9
111.04426	0.7
115.05431	0.2
116.98644	0.2
117.03401	0.3
119.04960	0.3
121.02859	1.4
123.04417	0.9
123.75022	0.1
124.07614	0.1
127.03936	0.8
129.05490	0.2
131.04874	0.3
133.02832	0.2
135.04422	0.5
136.07640	0.2
137.02344	4.0
137.03413	0.2
137.05963	0.4
139.03889	0.4
139.11220	0.2
143.05634	0.5
144.04039	0.6
145.02818	0.4
145.06487	0.3
147.04399	0.5
149.02356	0.5
149.05984	0.2
151.03889	0.2
152.07059	0.3
153.01825	5.0
153.05428	0.2
155.04887	0.3
157.04944	0.2
157.06470	0.2
159.04425	0.2
161.05998	0.6
163.03896	1.7
165.01823	2.6
166.02634	0.4
167.07021	0.2
173.05971	0.5
175.03828	0.3
177.05492	0.5
179.03346	0.3
181.04927	0.2
183.02875	1.1
183.04413	0.4
187.03905	0.5
191.03401	0.2
193.12253	0.2
195.02884	0.5
201.05455	2.1
205.04985	0.4
207.02936	0.2
207.06520	0.3
211.03934	0.2
217.05003	0.2
219.03044	0.2
219.06586	0.3
228.04251	0.2
229.04970	5.4
239.03346	0.1
247.05992	0.9
257.04446	3.5
271.06104	0.2
274.04785	1.0
275.05240	0.2
285.03973	1.7
302.04135	0.2
303.04984	100.0
304.05429	1.2
310.41000	0.1
315.04886	0.3
341.06711	0.2
345.06052	0.4
454.64673	0.1
464.73737	0.5
465.10165	0.4
465.18195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84227	0.2
53.03937	0.5
55.01860	0.6
57.03428	0.9
61.02930	1.6
62.32747	0.2
68.99780	1.0
69.03428	3.7
69.31000	2.1
69.31308	0.4
71.04968	0.4
71.21760	0.2
73.02905	0.6
81.03405	1.8
85.02899	9.9
87.04460	0.3
91.03939	0.5
93.03376	0.4
95.04961	0.5
97.02888	3.1
99.04411	0.6
100.97070	0.2
109.02866	1.2
111.00781	1.3
121.02856	1.3
123.04474	0.3
127.03926	1.8
135.04385	0.2
137.02342	4.1
137.03404	0.4
145.04955	1.5
145.06487	0.4
149.02370	0.3
153.01822	4.9
153.69815	0.2
155.04919	0.4
161.05978	0.4
163.03883	0.8
165.01839	2.6
166.02573	0.4
173.06007	0.7
183.02866	0.9
183.04358	0.4
187.03981	0.5
195.02917	0.5
201.05434	2.6
205.04953	0.4
211.03906	0.3
215.03189	0.2
219.06540	0.4
228.04109	0.5
229.04939	6.0
247.06000	0.9
257.04443	3.6
274.04709	1.1
285.03946	1.6
303.04974	100.0
304.05264	2.0
315.04922	0.5
328.10150	0.2
345.06128	0.3
367.74426	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	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.18105	0.2
55.01865	0.2
56.43496	0.1
61.02924	0.8
67.05496	0.2
68.99789	0.3
69.03416	0.4
69.69205	0.7
69.69623	0.3
70.06583	0.3
71.04983	0.3
72.08159	0.2
73.02506	0.3
73.02917	7.0
77.51076	0.2
79.05475	0.3
81.03404	0.3
81.07055	0.2
82.93066	0.1
83.52428	0.2
84.04532	0.1
85.02911	2.1
86.09699	0.3
87.04446	0.5
91.03938	0.7
91.05468	0.3
93.07034	0.4
95.04948	0.2
95.08607	0.2
97.02881	0.6
97.06501	0.2
99.04433	0.2
105.03409	0.4
105.07024	0.2
107.08611	0.2
109.02885	0.3
109.10175	0.2
111.00782	0.2
117.05505	0.2
119.08559	0.2
120.02081	0.3
121.02834	0.5
122.06004	0.2
123.04414	0.5
127.03904	0.3
129.07033	0.2
133.02859	2.0
136.07536	0.2
137.02333	1.0
137.05956	0.2
143.05563	0.5
145.04970	0.3
151.03917	3.4
153.01828	20.5
163.03918	0.3
164.07114	0.3
165.01855	0.4
167.07062	0.1
174.09305	0.2
183.02846	0.3
201.05504	0.6
212.13400	0.2
214.58725	0.2
229.04953	1.5
229.13364	0.2
257.04523	0.8
257.12912	0.3
258.05145	0.4
259.05670	0.4
260.05780	0.7
274.04749	0.2
285.03885	0.5
285.08667	0.3
285.12411	0.2
286.04709	0.8
287.05099	1.2
288.05301	1.5
301.07086	2.9
302.07413	2.3
303.04959	100.0
304.05313	1.3
334.13391	0.2
386.58899	0.2
423.84039	0.2
465.10236	1.2
465.16885	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	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01866	0.2
55.44271	0.1
56.05038	0.1
56.96565	0.1
57.94405	0.1
60.71619	0.1
63.75089	0.1
65.03931	0.3
67.01886	0.1
67.05489	0.1
68.99787	0.9
69.03412	0.4
69.07088	0.1
70.06573	0.3
70.07619	0.4
71.04983	0.1
81.03417	0.4
81.07047	0.1
83.01305	0.1
83.04963	0.1
84.08125	0.1
85.02905	0.5
86.09700	0.1
87.04472	0.1
89.06042	0.1
91.05476	0.2
93.03394	0.4
95.01347	0.1
95.04948	0.5
97.02886	0.3
97.19031	0.1
98.20892	0.1
99.04448	0.1
105.03422	0.1
107.04916	0.1
109.02869	0.7
111.00802	1.2
111.04433	0.3
117.07013	0.1
117.50292	0.1
119.04944	0.2
121.02863	1.3
123.04429	0.6
127.03920	0.3
131.04927	0.2
133.02821	0.1
135.04385	0.3
137.02336	4.2
137.05974	0.2
139.03900	0.2
143.05670	1.0
144.13818	0.3
145.06467	0.3
147.04405	0.3
149.02336	0.4
151.03925	0.1
153.01828	5.7
155.04883	0.3
157.06517	0.2
159.04439	0.2
160.09412	0.1
161.05983	0.4
163.03900	1.0
165.01840	2.7
166.02641	0.4
167.07166	0.1
171.02882	0.1
173.06017	0.7
175.03868	0.1
177.01892	0.1
177.05481	0.2
179.03380	0.2
183.02888	1.1
183.04417	0.4
185.06017	0.1
187.03905	0.6
189.05527	0.1
191.03427	0.3
191.07013	0.1
195.02942	0.4
197.12682	0.1
201.05470	2.4
205.04913	0.3
206.05109	0.1
207.02980	0.1
207.06490	0.2
211.04053	0.1
213.05521	0.2
215.03404	0.2
219.02885	0.2
219.06531	0.4
228.04190	0.3
229.04958	5.8
232.03770	0.1
239.03336	0.2
245.04539	0.1
246.05176	0.1
247.05978	0.9
257.04440	3.7
258.05035	0.1
268.54129	0.1
271.06122	0.1
274.04727	1.1
275.05267	0.4
285.03906	1.5
286.04684	0.1
302.04050	0.2
303.04977	100.0
304.05325	1.3
315.05023	0.2
327.04962	0.1
345.05954	0.1
405.13831	0.1
437.28415	0.1
465.10150	0.8
465.20029	0.4
471.09927	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	465.1024
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	0.3
57.03429	0.8
61.02929	6.0
68.99795	1.0
69.03424	1.0
70.08338	1.0
73.02923	1.7
81.03413	0.7
81.78981	0.2
85.02911	5.5
85.03430	0.3
91.00584	0.2
91.03952	3.7
91.05454	0.2
93.03402	0.5
95.04949	0.6
97.02898	3.1
98.20781	0.3
99.04446	0.5
105.94662	0.2
105.98664	0.2
108.03510	0.3
109.02866	0.6
111.00787	1.2
112.47366	0.3
115.03977	0.3
118.24922	0.2
121.02862	1.0
123.04475	0.4
127.03919	1.1
135.04370	0.3
137.02341	3.6
144.74300	0.3
145.04974	0.7
149.02376	0.6
151.03928	0.2
153.01839	5.8
155.04866	0.3
159.04263	0.2
161.06000	0.5
163.03925	0.8
165.01823	1.9
166.02675	0.2
173.06007	0.6
183.02884	0.6
187.03922	0.5
195.02835	0.3
201.05473	1.8
205.04982	0.3
228.04243	0.4
229.04980	5.6
247.06004	0.7
257.04437	3.0
274.04706	0.8
285.04034	1.3
303.05002	100.0
304.05301	1.1
315.05167	0.5
345.05841	0.3
369.06345	0.4
415.66284	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	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03922	0.6
54.89989	0.4
55.01884	0.6
57.03418	1.4
58.40719	0.3
61.02915	1.3
64.59700	0.4
68.99780	0.9
69.03426	3.2
70.08402	0.7
70.08813	1.4
71.04967	0.6
71.92721	0.4
73.02911	0.5
74.16780	0.4
81.03428	2.0
85.02428	0.7
85.02908	9.8
91.03951	0.5
94.15531	0.4
97.02884	3.2
109.02858	1.5
111.00799	1.0
121.02862	1.3
123.04459	0.5
127.03960	2.0
137.02357	4.7
137.14574	0.4
141.29378	0.5
145.04956	1.5
153.01820	5.4
163.03851	0.8
165.01823	2.2
183.02924	1.0
183.04439	0.7
201.05446	2.1
224.84248	0.4
228.04173	0.5
229.04953	6.1
257.04507	2.9
274.04691	0.9
285.03860	1.2
303.04980	100.0
304.05402	0.9
362.99249	0.4
485.52249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14376	0.1
53.03930	0.2
54.01583	0.1
55.01862	0.2
57.03423	0.5
61.02924	5.9
65.03931	0.2
68.99792	0.5
69.03429	1.2
71.01335	0.1
71.33035	0.2
73.02915	1.2
80.29515	0.1
81.03412	0.6
85.02902	5.3
91.03400	0.2
91.03954	3.6
91.05456	0.2
93.03414	0.3
95.04943	0.3
97.02889	2.6
99.04437	0.3
101.02352	0.2
105.03349	0.2
105.06966	0.1
109.02876	0.6
111.00791	0.9
115.03915	0.3
120.08095	0.1
121.02843	1.1
123.04414	0.4
123.45678	0.1
126.60923	0.1
127.03938	1.2
128.49321	0.1
130.63539	0.1
133.02808	0.2
135.04427	0.3
135.43300	0.1
137.02332	3.9
145.04961	0.7
145.06436	0.2
149.02319	0.5
151.03915	0.3
151.16394	0.1
153.01822	5.7
155.04817	0.2
159.04417	0.1
159.82755	0.1
161.05975	0.2
163.03925	0.8
165.01805	2.2
165.19591	0.1
166.02592	0.3
167.03394	0.1
173.05980	0.7
177.05482	0.2
179.03424	0.1
183.02866	0.8
183.04424	0.4
187.03870	0.5
191.03442	0.2
195.02927	0.2
201.05473	2.0
205.04893	0.2
211.03912	0.2
213.05516	0.2
217.05046	0.2
219.02951	0.2
219.06519	0.4
228.04175	0.1
229.04956	4.7
233.04401	0.1
239.03474	0.2
245.94313	0.1
247.05931	0.9
257.04443	2.9
257.21262	0.1
274.04712	0.9
275.05396	0.2
285.03983	1.4
287.05389	0.1
303.04977	100.0
304.05313	1.4
315.04947	1.1
327.04770	0.1
341.06683	0.2
345.06067	0.8
369.06171	0.6
381.05890	0.2
411.06888	0.2
429.08383	0.2
447.09152	0.3
465.10559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.3
53.84813	3.8
55.01855	5.0
55.05509	22.6
56.96559	3.9
57.03431	12.9
67.05502	41.6
69.03430	22.5
69.07074	18.5
70.06593	4.0
71.04992	7.3
71.61414	5.3
73.02917	5.5
78.55534	3.7
79.05486	28.8
81.03419	44.7
81.07054	94.1
82.03709	3.7
83.04961	11.8
83.08620	9.9
85.02900	21.2
85.06542	4.7
91.05487	43.7
93.07042	20.0
94.07388	5.5
95.04958	16.4
95.08608	27.1
97.02895	10.8
97.06536	14.2
97.10123	5.5
99.04446	9.4
99.05042	3.6
99.08089	6.1
103.03968	4.4
105.07036	49.4
107.04977	5.4
107.08601	26.0
109.02879	31.0
109.06522	8.7
109.10154	14.1
109.39224	3.2
111.08076	5.1
113.05979	4.4
117.07040	3.8
119.04896	4.5
119.08573	37.2
121.10134	25.8
123.04432	4.2
123.08088	9.1
123.11735	29.0
127.03915	35.4
128.18813	3.9
131.08568	8.3
131.87833	4.3
133.10117	11.4
135.08099	3.4
137.05922	5.5
143.05669	24.9
145.04991	4.0
147.11696	74.3
151.07565	3.7
157.10124	11.2
159.11700	5.2
165.12769	36.6
175.11183	8.3
183.06599	7.6
183.13771	4.7
193.12206	9.7
207.06560	6.1
229.14339	16.4
257.25833	4.5
267.15900	58.9
273.19583	3.9
285.16934	26.4
303.05093	5.9
318.97504	3.9
337.16452	10.1
355.17477	12.6
404.16074	5.1
411.20114	21.0
429.21191	100.0
464.18042	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	463.3054
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03941	5.8
55.01891	3.1
55.05513	22.8
57.03416	5.2
57.07082	4.5
65.03943	5.0
67.05165	4.7
67.05502	64.8
69.07071	19.7
69.26601	22.4
69.27027	10.9
69.46008	2.7
70.01558	2.6
71.04986	3.6
79.05058	3.9
79.05495	50.4
81.07054	58.6
83.04974	4.9
83.08612	12.7
85.06523	5.1
85.34168	2.5
86.04221	2.9
91.05477	64.7
92.05814	2.7
93.07044	56.5
95.04954	11.9
95.08602	44.3
97.06555	7.8
97.10163	5.6
102.78542	2.5
103.05473	3.0
105.07037	60.7
107.04958	7.9
107.08586	29.6
109.06526	6.6
109.10149	10.6
115.05508	4.1
116.06292	3.6
117.07023	31.9
117.21903	2.8
119.08583	39.1
121.06523	7.6
121.10150	22.2
123.08083	4.3
123.11705	3.2
128.06221	5.4
129.06984	21.1
131.08578	54.7
133.06534	5.0
133.10132	24.7
135.08051	6.1
135.11703	7.6
137.09615	4.4
141.06993	9.9
143.08553	15.6
145.06493	6.8
145.10110	29.8
147.08052	7.1
147.11681	8.2
149.09608	5.7
149.13293	6.7
151.11263	4.4
155.08517	10.7
157.10118	11.8
159.08038	3.1
159.11702	8.6
161.09685	5.5
169.10126	12.2
171.11723	8.2
173.13293	5.5
175.11188	4.0
181.10136	6.7
183.11679	7.2
185.13258	8.9
187.11125	3.2
187.14873	4.8
193.10042	2.7
195.11665	5.5
197.13217	3.0
199.14743	6.0
201.12881	2.7
209.13300	3.3
219.17511	2.7
221.13278	2.9
223.14828	5.1
227.14687	3.0
231.17516	3.5
247.17035	4.9
251.17815	4.2
255.17599	3.9
259.16995	4.8
285.10089	3.9
325.25235	8.5
335.23764	11.4
343.26367	13.0
353.24698	40.6
371.25775	40.5
389.26804	51.3
389.31693	3.4
390.26962	3.3
427.28241	5.0
445.29492	80.4
463.30411	100.0
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	Verbacine
Peak:m/z	Relative Intensity
53.03951	6.0
55.01863	3.7
55.05517	21.7
56.96574	1.1
57.03449	8.1
57.07061	4.5
65.03934	3.3
67.05507	79.5
69.07069	27.9
69.07450	1.1
70.73426	2.2
70.73775	2.2
71.04986	6.4
71.08614	1.1
76.49518	1.2
79.05495	56.0
81.03407	3.9
81.07059	100.0
83.04987	6.9
83.08619	17.2
85.06530	5.3
90.27908	1.2
91.04901	1.9
91.05479	38.5
93.07047	68.5
95.04971	11.5
95.08605	29.2
95.09171	2.2
97.02918	1.3
97.06542	11.3
97.10166	3.4
99.08088	3.6
103.05510	1.8
105.04507	2.2
105.07030	22.4
107.04939	1.3
107.08598	39.7
109.06522	5.3
109.10142	7.2
111.08079	7.9
117.07014	16.1
119.08587	13.3
121.06522	3.5
121.10151	22.5
123.08078	2.0
123.11719	3.5
128.68239	1.2
129.07021	6.0
131.08578	21.2
131.09512	1.3
133.06549	1.2
133.10135	13.4
135.08084	3.8
135.11700	13.0
137.09645	1.7
141.07008	2.1
143.08530	5.8
145.10135	6.7
147.08131	2.3
147.11691	4.4
149.09586	2.3
149.12036	2.2
149.13251	38.5
155.08640	2.0
157.10162	3.3
159.11687	18.0
165.12808	1.2
167.08713	1.3
167.14355	1.4
168.64597	1.1
169.10129	2.6
171.11723	3.8
173.13364	2.6
176.61227	1.1
177.12715	7.6
181.10010	1.8
183.11685	2.5
193.41980	1.2
195.13795	17.9
197.13310	2.5
199.14885	1.5
211.14809	1.4
213.14859	2.1
230.41141	1.3
247.17123	1.4
269.10730	1.3
316.68069	1.1
325.25366	1.6
335.23853	1.8
341.20078	1.3
343.26334	2.5
353.24747	7.5
371.25916	9.8
389.26837	9.3
401.33127	1.3
445.29568	17.0
446.29648	1.5
463.30630	69.3
464.30896	2.0
467.58844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01878	6.9
55.05510	30.9
57.03436	12.6
57.07077	2.6
65.03944	2.3
67.05505	95.3
68.05823	2.1
69.03433	3.1
69.07074	35.2
71.04999	7.7
71.08665	2.4
71.42825	3.6
79.05493	70.6
81.03436	4.5
81.07056	100.0
83.04991	7.5
83.08614	18.8
85.02910	2.1
85.06560	7.9
91.05479	82.9
93.07041	90.9
95.04967	16.4
95.08604	41.6
97.02903	2.3
97.06525	12.0
97.10194	6.1
98.21460	2.1
99.04456	2.1
99.08109	6.0
103.05441	3.1
105.07030	64.5
107.04970	7.5
107.08595	44.4
108.21596	2.3
109.06513	11.2
109.10159	13.9
110.59863	1.7
111.08106	8.2
113.06033	2.0
115.05470	3.1
117.07014	35.9
119.08578	36.8
119.09357	2.9
121.06506	8.8
121.10133	26.1
123.08057	2.4
123.11679	5.1
128.06200	4.6
129.06996	20.2
129.07784	2.0
130.07791	3.3
131.08574	55.2
131.09520	3.0
133.06494	3.3
133.10139	31.5
133.11096	2.6
135.08081	5.2
135.11702	24.7
137.09663	3.7
141.06990	9.0
142.07762	2.1
143.08562	19.6
145.06505	3.4
145.10126	32.0
147.08105	7.3
147.11748	10.9
149.09682	7.9
149.13249	25.4
151.11267	3.8
154.07874	1.8
155.08513	11.6
157.10117	19.0
159.08101	2.2
159.11705	19.5
161.09663	4.6
161.13312	4.1
163.11235	8.1
167.08614	5.1
169.10072	8.7
171.08119	2.1
171.11670	10.1
173.13380	5.7
175.11255	1.9
177.12819	5.4
179.08594	2.0
181.10081	4.1
181.12315	2.3
182.10942	2.7
183.11760	6.2
185.13390	5.6
187.11255	2.5
187.14899	4.0
195.11751	7.5
195.13876	8.2
197.13390	6.2
199.14931	3.1
201.12819	2.8
201.16507	2.7
206.23615	1.9
209.13344	5.7
211.14925	4.8
211.64558	1.9
213.12785	3.5
215.14340	2.6
219.17540	2.1
223.14963	3.2
227.12691	13.0
229.15898	2.6
233.15369	4.1
247.16994	4.1
249.18614	2.2
259.17014	4.3
261.18692	4.2
273.18613	3.8
301.27979	2.0
323.88690	2.3
325.25278	9.1
335.23874	8.5
343.26303	16.9
351.25378	2.7
353.24762	38.4
353.28973	2.8
371.25797	54.6
389.26849	48.1
390.27637	2.0
427.28589	5.3
445.29514	82.7
446.30154	2.3
463.30768	66.4
463.36963	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01867	5.3
55.05271	2.1
55.05513	30.3
57.03437	13.4
57.07056	4.4
65.03938	5.6
67.05505	87.0
69.03433	3.1
69.06726	2.3
69.07071	33.7
69.56616	7.3
69.57045	5.4
71.04987	7.3
73.06556	2.6
77.03937	2.7
79.05492	73.5
81.03400	1.9
81.07060	88.2
83.04998	7.9
83.08616	17.1
85.02907	2.8
85.06544	5.4
85.63853	1.6
91.05482	100.0
93.06477	3.7
93.07047	71.0
95.04965	17.0
95.08607	55.7
97.06537	11.9
97.10167	6.2
99.08076	2.0
103.05438	5.7
105.07035	84.1
107.04938	6.3
107.08591	43.7
109.06516	13.2
109.10159	21.0
111.08081	6.1
115.05437	5.4
116.06256	2.2
117.07024	44.3
117.07833	2.9
119.04897	1.7
119.08586	54.5
121.06495	11.6
121.10146	22.2
123.08081	5.1
123.11671	4.3
125.09585	3.1
127.07517	2.2
128.06213	5.1
129.07013	29.5
130.07771	3.4
131.08571	69.6
133.06490	5.0
133.10135	36.2
135.08005	9.2
135.11707	12.7
136.42792	1.8
137.09628	2.7
141.07004	13.7
142.07751	4.5
143.08569	26.2
144.09271	2.7
145.06493	6.1
145.10124	41.3
147.08043	12.0
147.11697	11.3
149.09608	6.2
149.13307	8.2
151.11250	2.3
155.08569	16.6
157.06567	2.1
157.10144	18.4
159.08089	2.7
159.11705	21.5
161.09557	4.4
161.13263	6.1
163.11189	2.7
167.08618	8.2
169.10123	15.3
171.08113	2.5
171.11665	14.5
173.09613	3.1
173.13278	7.4
175.11163	3.2
177.12762	3.7
181.10126	8.5
183.11697	7.9
185.09575	3.0
185.13284	11.5
187.11166	4.7
187.14842	6.1
195.11694	8.1
195.13748	3.4
197.13290	10.0
199.11130	2.8
199.14807	5.1
201.12692	3.0
209.13286	7.4
211.14862	9.3
213.12772	3.5
213.16454	2.9
215.14313	2.2
217.15816	2.3
221.13383	2.5
221.15312	2.7
223.14735	4.9
225.16438	4.7
227.14268	1.8
233.15407	5.7
237.16362	2.4
241.15862	2.9
245.15445	2.1
247.16914	4.9
255.17526	2.4
259.16852	5.1
261.18613	4.5
271.17041	2.6
273.18503	5.0
275.20038	2.5
287.19995	3.7
307.24426	1.9
315.19879	1.9
325.25302	7.3
335.23749	11.8
343.26279	22.9
352.01212	1.9
353.20428	3.0
353.24738	49.2
371.25821	55.7
389.26846	65.4
427.28455	7.5
445.29492	70.1
446.30490	2.2
463.30728	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	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02365	1.5
53.03946	5.5
54.52954	1.0
55.01864	3.2
55.05268	1.6
55.05513	21.0
57.03438	7.5
57.07077	2.8
57.11275	0.9
65.03923	5.3
67.05506	75.1
68.05869	1.2
69.03426	2.6
69.06729	1.8
69.07074	26.8
69.89285	5.4
71.04988	5.6
73.02917	2.1
79.05495	51.8
81.03412	4.7
81.07058	100.0
83.04996	7.5
83.08625	20.1
85.02924	1.2
85.06538	5.2
91.05479	32.0
93.07045	70.8
95.04965	11.2
95.08608	27.8
97.06522	12.0
97.10175	2.1
99.04462	1.1
99.08108	4.4
105.04570	1.1
105.07034	12.4
107.04958	3.0
107.08600	41.7
109.06507	2.7
109.10154	4.0
111.08076	8.9
111.11696	1.1
111.95497	1.0
113.05975	1.3
113.09702	1.2
115.05481	1.2
117.07013	12.6
119.08582	4.5
121.06512	2.7
121.10142	27.1
123.11714	3.3
125.09633	1.2
129.07033	1.9
131.08569	13.1
133.10130	11.5
135.08121	2.5
135.11673	12.4
139.11189	2.4
145.10143	2.4
147.11717	3.2
149.13258	48.3
157.10161	1.7
159.11688	20.3
163.11169	1.1
167.14345	2.3
177.12772	10.1
185.16284	1.2
195.13792	17.1
213.14838	2.7
219.13821	2.8
227.12917	1.9
269.17355	1.1
271.13925	1.6
371.25787	2.5
389.27002	3.1
411.52567	1.3
420.51996	1.1
445.29767	1.8
463.30579	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03930	8.5
55.01873	5.8
55.05518	30.8
57.03427	9.7
57.07065	3.0
65.03923	6.5
67.05505	89.7
69.03428	5.8
69.07066	37.6
69.56932	26.4
71.04987	6.8
79.05490	66.0
81.07056	91.2
83.04971	4.9
83.08608	16.2
85.06534	3.7
91.05478	81.7
93.07043	61.7
95.04946	15.3
95.08611	45.9
97.06536	7.8
97.10159	7.5
103.05499	4.1
105.07029	84.0
107.04961	5.1
107.08591	32.3
109.06515	10.4
109.10178	16.1
115.05495	6.1
117.07027	37.4
119.08576	40.6
121.06503	9.7
121.10138	24.7
123.08039	4.3
124.29948	3.3
125.09630	3.8
128.06239	6.9
129.07001	31.5
131.08580	55.1
133.10132	34.9
135.08032	9.6
135.11693	9.7
137.09602	4.3
141.06976	10.8
143.08568	23.5
145.06482	6.8
145.10129	33.7
147.08031	6.5
147.11662	10.3
149.09634	6.2
149.13309	16.4
155.08571	12.5
157.10117	12.5
159.08064	4.8
159.11684	22.3
161.09634	7.9
161.13333	3.5
167.08562	6.4
169.10129	11.9
171.11716	10.5
173.13266	7.7
181.10124	7.6
183.11697	9.4
185.13258	9.2
187.14799	4.8
195.11745	8.5
195.13756	4.5
197.13301	8.9
199.14804	5.3
204.97911	6.3
211.14835	5.2
219.17572	3.8
227.14287	4.6
233.15520	4.2
243.08954	3.4
247.17039	4.0
261.18591	5.6
301.07187	5.1
325.25311	6.8
335.23618	10.0
343.26413	16.5
353.24786	41.3
371.25787	57.2
389.26907	49.0
427.28275	6.7
445.23413	6.1
445.29498	100.0
463.30521	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
53.03945	7.1
55.01870	4.8
55.05510	35.0
57.03439	12.8
57.52505	1.5
59.05000	1.8
61.02897	1.7
65.03934	6.7
65.75710	1.5
67.05502	86.3
69.03423	3.1
69.07062	31.5
70.06062	3.4
70.06461	3.8
71.04991	7.3
71.08619	2.0
73.18011	1.7
77.03910	1.8
79.05491	70.1
81.03415	4.8
81.07054	97.2
83.04985	9.3
83.08617	18.4
85.02913	2.0
85.06532	5.7
91.05479	100.0
92.05771	2.0
93.07042	84.5
95.04961	17.4
95.08607	51.6
95.09061	1.5
97.06542	9.5
97.10143	5.5
99.08090	2.0
103.05477	5.7
105.07030	79.6
107.04959	7.5
107.08590	37.9
109.06504	11.4
109.10143	17.8
111.08074	8.0
115.05475	5.2
116.06227	2.1
117.07010	43.9
119.04942	2.3
119.08581	50.1
121.06496	9.7
121.10145	29.3
123.08054	5.6
123.11707	4.0
125.09563	1.7
126.93584	1.9
128.06203	6.7
129.06999	31.9
130.07863	2.3
131.08563	61.5
133.06485	5.8
133.10127	32.2
133.11078	2.4
135.08066	10.0
135.11707	9.7
137.09578	3.4
139.11174	2.5
141.06990	9.3
143.08551	29.2
144.09267	1.8
145.06468	4.0
145.10118	41.3
147.08066	7.8
147.11693	7.8
149.09613	6.8
149.13231	12.5
155.08543	16.8
157.10126	18.6
159.08017	3.1
159.11697	24.3
161.09659	5.2
161.13275	4.6
163.11264	4.5
167.08556	5.6
169.10115	12.5
171.11711	14.0
173.09630	2.3
173.13286	9.1
175.11198	4.5
175.14886	2.2
177.12834	3.8
181.10139	7.4
183.11641	10.5
185.09589	3.3
185.13252	6.6
187.11220	4.5
187.14819	5.0
189.16310	2.0
195.11720	8.2
195.13660	4.1
196.12479	1.9
197.13286	6.7
199.14841	5.3
201.12756	3.6
203.14474	2.0
205.15756	2.0
209.13333	4.8
211.14857	8.0
213.12842	4.0
213.16533	3.2
215.14330	3.6
217.15947	2.9
221.15431	1.9
223.14824	5.8
225.16484	2.2
229.16020	2.1
233.15379	6.2
235.16939	2.1
240.38803	1.8
241.15846	3.0
243.17691	2.1
245.15451	1.9
247.16917	6.1
255.17496	4.7
259.16953	5.3
261.18488	5.1
273.18491	3.5
275.20032	2.1
277.21576	2.1
307.24106	2.1
325.25143	10.6
335.23749	11.0
343.26242	17.9
353.24725	41.6
371.25775	60.4
389.26816	53.4
427.28375	5.4
438.90417	2.2
445.29425	78.5
446.29785	3.5
463.30606	51.6
464.30548	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03951	4.0
55.01873	2.9
55.05262	1.3
55.05510	19.3
57.03436	7.1
57.07067	2.5
65.03939	2.7
67.05505	76.8
69.03432	0.9
69.07066	24.9
69.63297	2.0
69.63706	5.1
71.04984	5.6
71.99602	0.8
73.02933	1.2
79.05495	49.2
81.03430	4.6
81.07059	100.0
83.04988	7.8
83.08623	17.5
85.06540	5.0
91.05482	30.4
93.07047	67.6
95.04971	9.4
95.08607	23.6
97.06527	12.7
97.10179	1.1
99.08098	3.5
105.07021	13.0
107.08597	36.1
109.06507	3.0
109.10173	5.0
111.08094	8.0
113.09652	1.0
115.05498	0.9
117.07014	12.4
119.08584	5.6
121.06512	2.8
121.10140	20.5
121.11035	1.1
121.86741	0.7
122.16660	0.8
123.11716	4.3
125.09621	1.1
125.68380	0.8
127.07601	1.1
129.06987	1.6
131.08572	13.8
133.10138	16.5
135.08083	2.5
135.11679	11.8
139.07549	1.2
139.11226	1.6
143.08601	0.9
147.11703	1.5
149.09648	1.2
149.13263	40.5
151.11145	2.3
153.49641	1.0
157.10126	1.1
159.11693	16.5
167.14348	1.6
177.12762	8.6
179.01274	0.9
195.13814	22.6
195.15483	1.6
213.14890	3.2
215.67378	0.8
231.81219	1.0
239.44699	0.9
269.17374	0.9
330.67578	1.0
343.26352	0.9
353.24994	2.6
371.25815	3.9
389.26749	3.0
445.29605	5.6
446.48935	0.9
463.30594	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06830	0.3
57.07080	2.6
69.03407	0.4
69.44765	3.0
81.03396	0.3
81.07040	0.5
85.02886	0.4
85.06537	0.6
89.67642	0.3
91.05483	0.6
95.04972	0.3
95.08633	0.5
97.75118	0.4
98.21513	0.6
103.44072	0.3
107.08530	0.4
109.10081	0.3
119.06049	0.3
120.08139	0.6
123.08026	0.3
137.05984	0.4
151.07524	0.8
158.08701	0.3
161.07149	0.5
171.07919	1.7
172.05095	1.8
172.08679	3.5
173.09471	1.5
174.10262	0.6
175.08647	0.6
186.10332	1.1
187.07420	9.9
188.08144	1.4
199.07433	6.7
200.08119	1.0
213.10167	0.3
214.09657	0.6
216.07681	3.2
216.10063	4.3
229.07108	0.5
236.95473	0.5
243.08781	33.1
244.09560	100.0
245.10106	2.7
257.04501	0.3
257.10306	1.8
258.05228	4.0
282.05481	0.4
285.03992	0.4
286.04727	8.8
287.04999	0.6
296.06738	0.5
298.04663	0.7
301.07071	27.5
302.07672	1.7
313.07034	4.4
324.06305	0.7
328.05673	0.6
336.15585	0.5
338.07785	0.4
339.08746	0.6
343.08176	2.4
353.10236	0.4
362.13501	1.4
364.13599	0.6
367.08206	1.2
377.14648	1.4
378.15350	20.9
379.16119	56.6
380.16370	1.5
391.08188	0.3
397.09183	0.5
409.09052	0.5
427.10040	1.1
445.11282	0.6
463.12329	0.6
463.21857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3058
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03946	4.5
55.01870	3.8
55.05515	21.8
56.96548	0.9
57.03434	6.8
57.07068	2.8
58.05050	0.8
65.03931	3.4
65.74557	0.8
67.05507	80.8
68.05823	1.0
69.03423	1.2
69.07073	25.9
69.88544	4.8
71.04996	4.9
71.08643	0.9
73.02902	0.9
79.05496	49.7
79.60723	0.8
80.05827	1.1
81.03414	5.2
81.07060	100.0
83.04996	7.8
83.08152	1.3
83.08624	19.2
85.06562	5.3
85.07004	1.0
91.04905	1.4
91.05481	31.4
93.07047	70.2
94.13607	0.8
94.87957	0.8
95.04974	10.0
95.08608	27.7
97.06526	11.7
97.10164	2.7
98.21441	1.6
99.08088	3.1
105.04515	1.5
105.07035	17.2
107.08592	37.2
109.06544	3.9
109.10165	4.2
111.08073	8.1
113.09611	1.3
115.05496	0.9
117.07024	11.5
119.08556	6.3
121.06502	3.6
121.10150	19.4
123.08078	1.4
123.11726	3.9
125.09662	2.1
127.07562	0.9
128.06184	1.0
129.06989	1.6
131.08565	13.2
133.09277	0.6
133.10136	14.7
135.08073	3.1
135.11711	12.1
136.95882	0.8
139.11168	1.5
143.08588	2.8
144.09239	0.8
145.10135	2.5
147.11711	3.5
149.09630	1.3
149.13261	41.4
151.11183	1.7
153.09171	1.1
155.08533	1.0
157.10069	1.1
159.11687	16.6
161.13272	1.0
165.12741	1.1
167.08615	0.8
167.14290	1.4
177.12759	9.2
180.58867	0.7
195.12009	1.4
195.13818	19.6
197.36664	0.8
213.14925	2.7
269.10706	2.7
287.11703	2.5
304.34500	0.9
343.26068	1.4
353.24216	2.5
371.25510	3.4
389.26959	1.9
427.28061	1.0
445.29111	4.7
463.30545	68.4
464.31073	2.0
483.26944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
52.50055	0.1
53.03937	0.3
55.01851	0.2
55.05499	0.5
56.96548	0.2
57.03432	0.2
61.02914	0.2
67.05515	1.1
68.99799	0.2
69.03431	0.7
69.07043	0.5
71.04991	0.2
79.05477	0.6
81.03403	0.6
81.07063	1.0
83.04974	0.2
83.08599	0.2
85.02886	0.5
85.06515	0.2
86.09693	0.2
91.05482	0.8
93.07063	0.8
95.04951	0.5
95.08606	0.9
97.02868	0.5
97.06519	0.2
97.10147	0.2
99.04450	0.3
105.07046	0.9
106.07344	0.2
107.04951	0.3
107.08605	0.7
109.02854	0.2
109.06497	0.4
109.10162	0.7
116.98606	0.2
117.07029	0.2
119.04938	0.3
119.08550	0.6
121.06461	0.4
121.10130	0.7
122.06002	0.2
123.04393	0.3
123.08056	0.2
123.11654	0.2
124.01561	0.2
125.09592	0.4
126.31834	0.1
127.03857	0.4
129.06969	0.2
131.08540	0.4
133.10101	0.5
135.04448	0.7
135.08055	0.3
135.11707	0.3
137.02396	0.2
137.05962	0.5
142.07858	0.2
143.05649	0.3
143.08528	0.2
145.02859	0.2
145.06480	0.2
147.04388	0.1
147.08147	0.2
147.11682	0.2
149.09593	0.3
149.13321	0.2
149.75914	0.1
151.07542	0.5
153.05502	0.2
157.10138	0.3
159.08012	0.2
159.11743	0.3
161.02309	0.5
161.13297	0.1
163.03883	0.3
163.11154	0.2
167.03423	2.6
167.06987	0.5
177.05344	0.2
183.11720	0.2
184.05203	0.6
185.04451	0.6
185.05894	0.2
202.06367	0.2
203.03394	0.6
210.06654	0.2
212.04723	1.0
213.05487	0.4
219.13748	0.2
229.04930	0.2
240.04146	0.4
241.04866	0.5
255.06601	1.1
255.11206	0.2
256.75229	0.2
258.05246	9.8
259.05713	0.2
272.06494	0.1
283.06018	1.2
285.10275	0.2
286.04721	6.0
287.05170	0.4
301.07062	100.0
302.07385	2.9
343.08398	0.1
427.28342	0.2
433.12927	0.3
445.12592	0.2
445.29678	0.2
463.12381	21.6
463.26587	0.5
464.12567	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1236
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.01867	0.9
55.05494	2.9
56.96560	1.0
57.03436	8.2
59.74448	0.7
61.02917	2.0
65.03922	1.2
66.68755	0.6
67.05486	3.2
69.03403	3.5
69.07050	2.3
70.81303	1.7
70.81650	0.8
71.04989	10.4
73.02921	4.2
75.04479	13.0
75.83635	0.7
79.05481	3.4
81.03402	3.6
81.07057	5.7
83.04959	2.8
83.08591	1.5
85.02901	37.4
85.06501	1.3
86.09702	0.8
87.04460	1.5
91.05463	4.2
91.44543	0.7
93.03410	1.5
93.07037	3.8
95.04954	2.2
95.08583	3.7
97.02864	1.7
97.06499	0.8
99.04449	1.3
105.07004	2.9
107.08579	3.2
109.02860	1.5
109.06498	1.3
109.10135	3.4
111.04432	1.7
116.98615	0.8
117.07005	0.9
119.08543	2.3
121.02841	1.0
121.06528	1.2
121.10138	2.0
122.06030	0.9
123.04454	1.4
123.08051	1.5
123.11651	1.5
127.03915	2.5
129.05461	3.2
131.00134	0.8
133.06490	1.1
133.10115	2.4
135.08014	1.2
135.11688	1.3
137.02274	0.8
137.05978	3.7
137.09689	0.7
143.05623	1.5
143.08585	0.8
145.10091	1.7
147.04379	1.6
147.06531	2.0
147.11688	1.9
149.05905	0.8
149.09601	0.9
151.03896	1.6
151.07527	1.9
153.01816	6.4
159.11749	1.4
161.05959	1.1
161.09599	0.9
161.13287	0.7
165.05542	0.9
167.07071	1.7
168.83830	0.8
175.11186	0.9
177.05499	1.5
187.07556	1.1
187.14763	1.4
191.07111	0.9
201.05612	1.1
207.06512	0.9
215.14127	0.8
217.05043	0.9
218.05830	1.0
223.64296	0.8
228.04120	1.0
229.05029	2.7
231.02885	0.7
245.04434	1.1
246.05298	1.8
257.04428	1.9
259.08511	0.9
269.17596	0.9
273.03964	1.9
274.04755	4.1
285.03964	2.8
285.09995	1.3
286.04709	3.3
287.05078	1.1
301.07019	11.1
302.04233	12.1
302.07504	1.4
313.07065	1.3
317.06540	100.0
318.06888	2.8
342.14627	0.8
375.15546	1.0
416.17255	1.1
463.27298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Luteorin 5-methyl ether 3'-glucoside
Peak:m/z	Relative Intensity
53.03941	0.9
55.01885	1.2
55.05510	0.9
57.03423	1.7
60.05643	4.4
67.05495	1.7
69.03418	2.3
69.56096	5.4
70.06598	4.5
71.04958	0.9
72.08154	1.3
76.02202	2.1
79.05488	2.1
81.03421	5.2
81.07061	0.9
84.04494	1.2
84.08134	1.6
85.02896	4.1
86.09701	2.9
91.05470	2.5
93.03368	0.8
93.07047	1.5
95.04958	2.2
97.02872	2.2
98.20705	0.9
102.32240	0.7
103.26104	0.8
107.04933	2.1
109.02857	1.7
109.07613	1.0
109.10093	0.8
110.05997	0.9
111.04421	1.2
118.06577	0.7
119.04922	3.1
119.08559	1.3
120.08176	1.0
121.02879	8.2
121.69658	0.6
123.04417	0.9
124.07609	1.1
127.03916	2.2
128.68208	0.7
129.07008	1.2
129.10205	1.1
131.04906	1.1
133.02820	0.7
135.04437	1.2
136.07501	1.1
136.11195	3.4
137.02342	9.7
137.06012	1.2
138.05441	0.8
141.06940	1.0
143.05655	1.9
145.02876	1.7
145.10165	0.7
147.04385	4.3
149.02354	0.7
151.07579	0.8
157.06491	3.2
162.02199	1.3
163.03864	1.2
167.07108	1.1
168.05768	0.9
168.51912	0.7
169.06447	1.6
170.09296	0.9
175.04002	1.0
177.05460	2.9
178.05875	1.3
179.04820	2.8
185.05931	1.9
185.82005	0.7
187.03937	2.2
189.05455	2.8
193.12241	2.6
194.02034	0.9
197.06010	3.1
201.05534	0.9
203.03392	2.9
211.07466	1.0
212.04619	1.1
213.05470	14.1
215.03394	2.9
221.04480	1.4
225.05411	2.1
227.07030	1.7
241.04959	16.2
243.02867	1.1
245.08099	1.2
247.40198	0.8
252.82196	0.8
253.04932	0.8
255.06596	2.6
261.03961	1.3
267.15961	1.1
268.03638	1.2
269.04443	15.5
271.06097	1.4
279.06320	0.9
283.06021	2.8
286.04675	4.9
293.08078	0.9
295.06009	4.6
301.07065	100.0
302.07391	3.4
307.05911	1.7
308.06650	2.2
309.07355	0.9
315.19464	0.7
321.07492	4.9
322.08325	0.9
323.09433	1.0
333.07562	2.7
337.06985	0.9
337.82700	0.9
345.07550	0.9
347.09097	0.9
349.07074	6.1
361.06958	7.6
361.10583	1.3
373.07178	1.2
379.08112	6.9
387.08435	2.4
389.10260	1.7
391.08124	1.5
399.08853	1.1
401.23770	1.7
403.08356	1.3
415.08133	5.6
417.09781	2.0
427.08279	1.4
433.09125	1.2
435.10760	0.8
445.09274	12.9
445.15359	1.1
445.22852	1.1
446.09421	1.5
463.10446	14.2
463.17007	1.7
463.22617	2.6
464.10403	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
51.38074	0.1
53.14439	0.1
53.51563	0.1
66.64588	0.1
69.39063	0.2
69.39468	0.7
76.67623	0.1
98.21531	0.2
109.10098	0.1
149.05904	0.2
153.01831	0.5
153.02852	0.1
167.07104	0.1
183.68163	0.1
213.05353	0.1
229.04959	0.4
241.04773	0.1
254.11438	0.1
257.04541	0.2
258.05234	15.7
259.05640	0.4
269.04254	0.1
286.04709	36.1
287.05026	0.7
301.07053	100.0
302.07379	2.3
367.51730	0.1
395.91342	0.1
395.98148	0.1
463.12454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37174	0.0
55.05478	0.1
62.65172	0.0
68.99809	0.0
69.03406	0.1
69.37614	0.0
69.38017	0.2
79.05459	0.0
81.03408	0.0
81.07040	0.0
83.04951	0.0
83.08590	0.1
85.02874	0.1
91.05431	0.1
97.02852	0.1
100.07610	0.0
100.11250	0.4
101.11567	0.0
107.04965	0.0
107.08566	0.0
109.10104	0.0
111.04452	0.0
119.04932	0.0
119.08562	0.0
120.08036	0.0
128.07036	0.0
135.11662	0.0
143.05672	0.0
149.05922	0.1
151.03877	0.0
153.01801	0.5
153.02974	0.0
170.02095	0.0
171.02838	0.0
175.03851	0.0
182.15408	0.1
183.15851	0.0
203.03093	0.0
209.16432	0.1
210.14796	0.2
211.15294	0.1
213.05385	0.0
213.17757	0.0
227.17642	0.0
229.04872	0.4
230.05368	0.0
257.04483	0.2
258.05215	17.8
259.05612	0.4
269.04315	0.1
273.07651	0.1
276.73001	0.0
277.22800	0.0
283.05774	0.0
285.03735	0.0
286.04694	37.4
287.01791	0.0
287.05060	0.9
301.07031	100.0
302.07367	2.7
313.07022	0.0
340.25821	0.0
343.08130	0.0
390.31357	0.1
453.84763	0.1
463.12228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
55.01889	0.6
57.03423	1.5
63.72322	0.6
69.67765	3.0
69.68176	1.4
81.03426	1.1
84.46920	0.5
85.02902	1.9
97.02877	0.9
97.30063	0.5
98.21520	0.8
106.55624	0.6
109.02871	1.2
121.02882	1.1
130.58952	0.6
137.02309	0.6
141.01805	1.3
149.02422	0.8
149.05966	1.4
151.03902	5.4
165.01845	9.2
167.03406	2.5
175.03914	1.3
177.05478	0.8
183.02913	5.1
189.01865	0.6
191.03430	0.9
195.02911	2.4
205.04976	0.9
217.05125	0.6
243.02808	0.8
243.06586	1.6
254.05869	1.0
257.04410	1.1
259.06180	0.6
261.04031	0.8
268.07309	1.3
270.05298	3.3
271.06033	3.3
272.06662	0.8
274.90863	0.6
281.04492	0.7
282.05212	5.1
282.08438	1.1
283.06064	0.7
286.04730	2.3
286.07956	0.6
296.06818	9.1
297.07486	5.1
298.04739	19.5
299.05453	1.5
300.06311	6.6
301.07098	6.6
303.05258	0.7
308.06882	0.7
309.07660	0.7
310.04721	3.9
310.08319	4.4
311.05676	0.9
311.09106	4.4
312.06262	1.9
313.07059	100.0
314.07681	8.8
320.06885	2.4
324.06302	10.1
325.07019	7.0
325.10764	1.6
327.08435	3.1
328.05768	15.5
329.05771	0.8
335.08942	1.3
336.06250	2.4
337.06900	1.5
338.07797	6.3
339.05072	1.5
339.08643	14.4
341.06693	0.9
343.08130	69.5
344.08469	2.1
348.06204	2.3
351.08667	2.2
352.05911	0.8
353.05984	1.0
353.10165	13.0
355.08194	0.8
363.08548	3.7
364.05838	2.5
365.06396	0.7
366.07413	1.7
367.08115	42.5
368.08438	1.4
376.05771	2.1
379.08133	12.6
381.09729	3.1
391.08212	8.7
394.06741	2.4
397.09207	20.3
398.09720	1.1
409.09186	19.7
427.10287	23.3
438.94965	0.8
445.05566	1.1
445.11276	10.9
446.11646	0.9
463.12430	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	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.3
57.03432	4.7
58.41186	2.6
61.02905	2.8
65.03943	3.3
67.55962	2.8
69.03426	12.0
69.72015	22.1
70.06572	7.9
71.04974	5.6
72.08136	3.9
81.03409	6.9
81.07079	4.3
81.38185	3.2
83.05003	4.5
84.04508	6.2
84.08159	4.4
85.02908	11.1
86.06095	3.4
86.09707	4.6
88.03963	3.7
91.05473	7.4
93.07036	8.8
95.04960	11.0
97.02885	8.4
97.06545	4.9
98.62791	3.3
99.04479	5.4
105.07034	9.0
107.08597	4.8
109.02892	8.2
109.06490	6.1
111.04441	8.3
113.05995	4.9
116.07050	2.9
117.07021	3.6
119.08592	9.4
121.06500	7.3
122.06000	3.7
123.04419	9.9
123.08054	7.9
124.07552	3.7
126.01059	4.2
126.06581	3.5
127.03910	8.9
128.00783	10.8
128.02618	3.5
129.10324	3.4
131.08553	6.7
135.04454	5.6
135.08075	12.9
136.06137	3.0
137.05959	5.9
137.09619	3.7
138.05484	7.7
139.03883	3.0
139.07597	3.6
142.00555	7.0
143.05643	43.0
144.00264	7.4
144.03996	7.0
144.06027	4.5
145.10149	6.9
147.04390	5.7
147.08022	7.3
147.11627	3.0
149.09656	5.6
151.03957	3.3
151.07529	3.7
157.10159	5.2
159.08087	7.4
159.11682	6.2
161.09644	8.9
163.03909	7.5
165.09087	8.3
167.07123	5.7
168.06583	3.8
171.11696	3.9
173.09615	4.0
173.13211	4.0
175.07533	11.8
175.11188	7.1
181.08684	3.7
187.11217	8.3
191.07210	4.7
193.08682	5.3
199.11147	5.0
201.12775	8.0
203.10698	9.9
207.06454	3.5
211.11168	4.1
212.07117	5.4
214.08557	3.6
217.12288	6.1
220.09908	3.2
223.09764	3.3
229.12233	6.8
241.10895	3.7
242.08205	4.8
247.13290	29.1
262.72391	3.3
265.14352	100.0
278.10345	5.0
287.05579	4.5
300.04892	15.6
462.19492	22.7
463.16949	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	462.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.05495	0.9
61.02919	2.1
65.03938	1.1
67.05482	1.1
69.03440	8.6
69.07049	1.0
70.00265	4.5
70.06588	2.9
72.08138	1.2
81.03429	1.6
81.07064	1.4
84.04488	1.0
84.08087	1.6
84.96027	0.9
85.02894	4.4
86.09705	1.9
91.05483	14.7
93.07047	1.4
95.04930	1.7
97.02892	3.1
97.06513	3.2
98.21384	1.4
99.04453	1.3
100.11231	1.7
103.05460	1.6
105.07012	2.9
107.08559	1.2
109.02859	2.0
112.71552	0.9
113.39716	1.0
119.04112	1.8
119.04951	30.3
119.08581	1.5
127.03930	4.8
131.04890	1.3
135.04382	1.0
137.02313	5.3
137.05952	1.2
141.01758	1.2
143.05637	4.5
147.04413	27.4
149.02379	1.2
151.03886	3.6
157.03958	2.0
164.04507	1.1
167.07088	1.1
168.80444	1.0
175.03912	51.7
176.04298	1.1
177.05476	1.8
179.06975	1.9
180.26479	1.0
191.03413	1.1
192.04173	1.5
203.24139	1.0
207.06537	100.0
208.06848	1.9
214.76953	0.9
214.95178	0.8
217.04907	1.7
225.07603	1.2
229.12263	4.0
241.04866	1.0
243.06575	2.0
247.13406	2.2
258.05173	2.9
261.03793	1.3
269.04327	1.4
271.05966	1.5
272.06827	1.0
282.05179	1.3
285.07281	1.2
286.04724	9.8
286.07889	1.8
287.18396	2.2
296.06732	2.0
298.04855	5.1
299.05524	2.0
300.06207	2.8
301.07083	49.0
309.07578	1.3
310.04776	2.2
310.08371	1.5
311.05475	3.0
312.06277	2.2
313.07043	26.6
313.10727	1.5
314.07941	5.0
324.06268	1.4
325.06964	3.7
327.08633	4.4
328.05664	6.8
338.07855	2.4
341.06631	1.2
343.08139	31.3
351.10828	4.9
353.10077	4.8
355.08185	2.4
367.08240	7.3
369.11823	33.9
370.12167	1.2
373.08990	2.5
390.31158	1.4
397.09070	5.8
409.09073	2.6
427.10263	11.4
445.11349	18.0
462.20459	1.2
463.06207	1.8
463.12393	28.1
463.18826	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60621	0.7
51.96961	0.7
53.03947	0.9
55.01858	1.8
55.65545	0.7
56.96545	0.9
57.03416	2.1
57.22494	0.7
58.99569	1.0
60.04506	1.8
60.05625	0.9
61.02903	2.1
65.03909	1.4
69.03426	9.2
70.02946	1.4
70.06601	3.5
71.04985	1.5
72.08148	1.9
73.02898	1.5
74.00647	3.2
74.06046	0.9
77.92233	0.6
79.05486	1.6
80.05019	0.7
81.03405	3.8
81.07061	1.4
82.06552	1.0
83.04971	1.2
84.04486	1.6
84.08123	2.9
85.02901	15.7
86.09682	1.9
87.04460	0.9
88.03988	60.7
89.03909	1.5
91.05472	4.4
93.03395	4.4
93.07032	1.0
97.02900	5.6
97.06509	1.3
99.04456	1.7
102.71758	0.8
103.05450	2.2
104.62069	0.6
106.04119	1.4
107.04937	1.3
109.01111	1.0
109.02866	2.1
110.06027	1.8
117.03352	1.7
118.04122	2.2
119.04950	5.6
119.08572	1.1
120.01168	6.2
120.08087	0.9
121.06516	1.8
122.02731	1.3
122.06036	1.4
123.02651	6.9
123.04435	0.9
123.11794	0.8
124.07588	1.9
127.03906	4.5
129.10291	1.0
131.04926	2.1
132.05701	3.6
134.52271	0.7
135.02632	0.8
135.04379	1.0
137.02361	1.3
137.05936	1.2
138.05507	9.6
143.05618	8.7
145.04967	1.9
146.03629	21.1
146.05940	1.1
147.02657	1.0
147.04391	5.2
148.05118	1.0
149.05978	9.8
150.01329	1.8
151.02116	19.8
152.01280	0.8
153.05426	1.0
154.04913	0.8
154.08667	0.8
156.06517	2.7
160.05183	1.1
163.03885	6.4
165.00067	1.0
165.02292	0.8
165.03734	2.3
166.04990	1.7
167.07030	1.0
168.01048	1.0
175.03940	0.8
176.52089	0.7
177.03995	1.4
177.05475	12.4
177.09129	1.1
177.33495	0.8
178.06244	58.6
179.01610	42.5
179.02931	0.9
179.06892	2.9
181.03159	3.2
181.04732	0.8
193.03143	3.4
193.12305	1.1
195.01152	1.1
196.01907	2.6
207.06473	1.0
211.04228	100.0
212.04753	2.2
213.05835	6.0
223.18845	0.8
245.67125	0.9
254.08481	1.7
282.16971	1.2
283.06232	1.4
300.05615	1.5
300.08984	26.6
300.18140	1.0
301.07141	1.9
310.46390	0.9
326.12070	0.8
462.13846	1.3
463.11090	0.8
474.48853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01870	1.1
55.05521	0.5
57.03436	1.4
58.99591	0.4
59.04996	0.4
61.02925	2.8
65.03946	0.7
69.03430	8.7
69.07077	0.4
70.02959	2.5
70.06604	2.8
71.05004	0.8
71.60445	0.7
72.04502	0.4
72.08160	0.3
73.02923	1.3
74.00671	3.6
74.06056	0.5
74.40958	0.3
75.84943	0.3
76.02247	0.4
79.05491	0.9
79.58045	0.4
81.03419	3.5
81.07069	0.5
84.04478	0.5
84.08127	0.8
84.97511	0.4
85.02908	16.4
86.09698	1.0
86.99541	0.3
87.04469	1.1
88.03994	51.2
89.03896	0.4
91.03973	0.6
91.05486	1.8
93.03410	4.0
93.07043	0.4
97.02887	5.6
99.04449	1.1
103.05473	1.4
106.04168	1.0
107.04961	0.9
109.02901	2.2
109.07653	2.3
111.04477	0.4
116.01621	0.4
117.03377	2.0
118.04142	1.4
119.04955	3.2
119.08565	0.5
120.01183	6.3
121.02919	0.8
121.06421	0.7
122.02714	1.6
123.02645	3.4
127.03913	3.8
129.10242	0.6
131.04930	1.9
132.05724	2.5
135.02626	0.4
135.04349	0.9
136.07549	0.9
137.04147	0.5
137.05882	0.4
143.05649	1.6
145.02814	1.0
145.04955	2.1
146.03636	15.7
147.04422	4.3
148.05199	0.6
149.05994	6.8
150.01358	0.9
151.02132	13.8
160.05194	1.2
160.07190	0.8
162.02202	0.5
163.03885	3.8
164.07036	0.9
165.03694	1.9
177.03862	0.6
177.05469	10.9
178.06258	56.3
179.01624	40.8
179.02827	0.8
179.06886	1.9
180.01891	0.5
181.03207	3.1
181.08595	0.6
193.03200	2.8
195.01105	0.4
195.04753	0.5
196.01888	2.7
197.02715	0.5
205.03134	0.5
208.06763	0.7
209.02609	0.7
211.04242	100.0
212.04718	1.5
213.05817	5.2
246.04140	0.6
254.08487	0.9
283.06277	3.2
300.09015	36.2
342.09842	0.4
373.09583	3.9
400.22226	0.4
445.09216	0.6
462.14099	2.3
462.23892	2.5
463.10223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.0
55.01863	10.5
55.05511	48.0
57.03437	15.7
62.34574	2.8
65.03929	5.9
67.05505	81.6
69.07063	31.8
69.65382	2.5
70.23180	13.3
71.05000	6.3
75.70755	2.6
79.05492	74.4
81.03413	5.1
81.07057	74.2
83.04977	6.7
83.08617	23.7
85.06538	7.8
91.05480	100.0
93.07046	64.9
95.04979	20.5
95.08614	49.5
97.06512	14.8
97.10172	14.4
98.20837	4.1
99.08057	3.6
103.05466	6.7
104.20189	2.6
105.03419	2.8
105.07034	70.5
107.04947	12.5
107.08586	32.7
109.06519	12.3
109.10155	22.1
111.08076	8.3
115.05435	6.9
117.07018	53.4
117.45433	2.8
119.04980	4.2
119.08576	43.8
121.06504	13.6
121.10135	21.8
123.08080	10.4
125.09632	9.2
128.06209	13.6
129.07010	58.7
131.04921	5.3
131.08569	83.3
133.06480	11.0
133.10123	19.7
135.08080	8.1
135.11688	8.5
137.09592	4.3
139.11234	4.3
141.06987	27.4
142.07744	6.0
143.08568	51.8
145.06516	20.0
145.10107	28.6
147.08073	12.9
147.11699	12.2
149.09593	7.6
149.13271	5.2
153.07016	4.5
154.07777	5.8
155.08540	40.8
157.06479	6.9
157.10132	30.4
159.08054	10.7
159.11707	19.9
161.09604	5.5
161.13260	4.1
163.11212	6.6
165.07034	5.6
166.07802	3.3
167.08589	16.7
168.09361	5.2
169.10117	31.0
171.08078	8.1
171.11696	17.7
173.09618	6.9
173.13168	5.1
175.11220	7.3
179.08577	6.8
181.10077	18.6
183.11705	11.5
185.09674	5.4
185.13263	10.6
187.11130	6.3
187.14861	6.7
189.11215	6.9
189.12801	3.1
191.08571	3.2
193.10115	6.9
195.11752	18.4
197.09523	3.2
197.13206	15.0
199.11241	3.7
199.14813	10.8
201.12769	5.0
203.14365	4.7
205.12254	3.3
207.11665	7.7
209.13231	11.1
211.11304	3.4
211.14900	5.9
213.12807	7.0
213.16429	3.5
215.14371	12.9
217.15860	5.3
221.13269	11.1
223.14818	12.2
225.12755	4.8
225.16377	3.5
229.14226	3.7
231.17538	3.7
235.14890	7.4
239.14339	11.0
245.15381	3.9
249.16443	3.0
253.15884	7.9
257.15320	7.3
259.17004	5.8
271.16867	8.4
285.18454	4.5
323.23785	12.6
333.22128	23.4
339.15201	2.6
341.24692	16.3
351.23196	70.9
369.24237	67.9
387.25250	33.9
387.67200	2.8
405.26144	3.7
415.28339	3.6
417.26105	3.9
425.26596	7.6
443.27988	89.6
461.22519	4.7
461.28955	88.6
462.28854	5.1
471.05054	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	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82885	1.6
53.03929	7.5
55.01873	9.4
55.05512	39.2
57.03437	14.5
57.07066	2.0
58.70982	1.8
65.03922	4.7
67.05503	77.6
69.03425	3.9
69.07071	30.3
69.40321	6.1
69.40742	11.7
71.04988	6.7
79.05492	75.9
81.03423	8.7
81.07058	69.5
83.04984	6.0
83.08629	21.7
85.02855	1.6
85.06535	5.1
88.05820	1.7
91.05482	100.0
93.07045	56.1
95.04967	21.5
95.08047	3.8
95.08607	47.7
97.06535	11.1
97.10169	11.4
99.08096	2.7
103.05472	5.7
105.07030	72.6
107.04961	15.2
107.08590	33.7
108.64302	1.6
109.06529	11.3
109.10149	18.2
111.08089	8.6
113.06027	2.0
115.05454	9.9
116.06250	3.5
117.07019	51.5
119.04967	5.0
119.08578	43.5
119.09445	1.8
121.06493	16.2
121.10146	19.0
123.08056	7.9
125.09630	5.8
127.51424	2.1
128.06232	16.9
129.07010	54.1
130.07784	4.2
131.04941	3.5
131.08566	65.7
133.06523	14.7
133.10126	27.8
135.08057	13.1
135.11671	8.2
137.09636	3.8
141.06970	21.5
142.07787	6.9
143.08554	50.6
144.09314	3.1
145.06482	20.5
145.10130	32.1
145.72827	1.8
147.08084	13.3
147.11699	9.2
149.09590	7.7
149.13295	4.3
151.11214	3.6
153.06941	4.1
154.07803	3.3
155.08556	32.4
156.09404	2.6
157.06505	4.9
157.10120	29.1
159.08040	11.2
159.11656	16.4
161.09653	7.5
161.13239	4.3
163.11201	6.1
165.06987	4.7
165.24016	1.8
166.07755	2.3
167.08575	14.6
168.09299	3.2
169.10126	23.6
170.10953	2.0
171.08072	7.2
171.11703	18.3
173.09636	8.5
173.11914	1.8
173.13322	6.8
175.11208	5.4
177.12746	5.1
179.08551	3.6
180.09378	2.2
181.10146	17.6
182.10944	2.4
183.08017	3.1
183.11655	16.0
185.09602	4.9
185.13245	15.2
187.11227	4.8
187.14838	6.2
189.11247	4.6
189.12775	3.9
191.10657	2.8
191.14334	2.2
193.10181	5.2
195.11717	13.0
197.09679	3.6
197.11700	1.8
197.13260	9.5
199.11235	3.6
199.14783	9.6
201.12759	5.8
203.14291	1.9
205.10231	3.4
205.12097	3.2
205.15935	2.0
207.11688	7.4
207.13638	2.1
209.13263	9.8
211.11150	4.9
211.14847	5.6
213.12750	14.3
213.16444	3.1
215.14310	7.9
217.12193	2.1
217.15887	6.3
219.14026	3.0
221.13220	9.9
223.14886	10.3
225.12836	6.0
225.16367	3.9
227.14365	5.6
229.15953	4.7
231.13824	5.6
231.17444	2.4
233.15308	2.2
235.14783	6.3
237.16412	3.4
239.14340	6.4
241.15833	2.1
243.13826	3.9
245.15443	4.6
247.17006	4.0
253.15927	3.0
255.17438	2.2
257.15387	6.2
259.16937	5.4
261.14816	2.7
271.16876	9.4
273.09793	2.2
273.18433	2.5
285.18527	3.4
296.24689	1.8
305.22467	2.8
315.21008	2.3
323.23715	11.6
333.22278	12.7
341.24878	20.1
351.23181	62.2
352.23901	2.2
369.24255	88.2
370.24545	4.3
387.25293	38.8
388.25394	4.2
405.26459	3.5
407.25836	3.3
415.28479	4.4
425.26923	7.1
433.29858	1.9
443.27969	80.9
444.28268	4.2
461.28964	85.3
462.29437	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01879	6.4
55.05264	2.0
55.05510	26.6
57.03426	7.6
65.03931	3.4
67.05502	53.1
69.03417	3.6
69.07061	15.5
71.04980	4.9
71.13190	3.3
79.05493	42.8
81.03416	43.9
81.07053	56.4
83.04975	6.8
83.08611	21.3
85.02917	2.8
85.06549	3.8
91.05474	43.7
93.07043	40.3
95.04964	29.0
95.08604	26.2
97.02888	1.5
97.06530	8.0
97.10164	12.7
99.08081	2.4
103.05441	3.3
105.07034	29.8
106.07354	1.7
107.04958	12.9
107.08598	23.0
109.06540	7.4
109.10141	9.5
111.04415	1.9
111.08084	8.5
115.05441	3.7
117.07020	17.5
119.04929	2.3
119.08585	19.1
121.06512	12.1
121.10138	13.3
123.08088	3.8
123.11722	2.6
125.09610	8.3
128.06230	4.9
129.06996	16.5
131.04982	2.3
131.08563	25.3
133.06485	5.5
133.10118	12.5
135.08051	5.4
135.11717	6.6
135.54546	1.2
137.05952	2.1
137.09596	2.8
139.07515	1.5
141.06976	5.5
142.07793	3.5
143.08559	10.5
145.06454	10.5
145.10107	10.5
147.08061	9.4
147.11716	10.9
149.09634	7.2
149.13243	11.7
150.31654	1.2
153.07018	1.6
154.07845	1.7
155.08524	6.7
157.06514	2.3
157.10109	12.1
159.08029	4.2
159.11688	11.8
161.09674	3.3
161.13309	1.9
163.11163	2.3
165.12810	2.4
167.08566	3.1
169.10127	5.2
171.08081	3.3
171.11702	5.1
173.09669	3.0
173.13269	2.8
175.11180	6.0
177.12767	4.1
179.08594	1.3
181.10176	3.3
183.11742	4.2
185.13271	2.9
187.11217	1.8
187.14825	1.4
189.09196	1.2
189.11230	5.2
189.12744	1.3
193.12238	17.0
195.11743	1.8
195.13875	2.7
197.09746	1.5
197.13318	2.6
199.11160	2.5
199.14854	3.9
201.12779	1.9
203.14247	2.1
205.12175	2.0
206.81081	1.4
208.56718	1.3
209.13229	1.6
211.14876	2.4
213.12834	2.7
215.14360	2.0
217.15942	5.2
227.12697	2.4
229.16014	1.4
231.13887	2.5
233.15269	1.4
239.14374	1.4
241.15993	1.6
249.14934	4.0
257.15460	3.8
261.14920	1.9
271.17133	1.7
275.16443	3.1
275.19843	1.5
299.05612	2.0
333.22250	2.6
341.24780	2.5
343.22623	3.9
351.23148	12.9
361.23911	2.6
369.24240	25.0
387.25275	14.4
405.26324	3.5
417.26224	5.8
443.27817	21.3
444.29126	1.9
461.28973	100.0
462.29327	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.5
53.03940	5.2
55.01880	7.0
55.05516	26.1
57.03444	7.1
57.07077	2.4
65.03947	2.1
66.10338	1.3
67.05504	55.2
69.03437	4.1
69.07067	14.3
69.42734	12.8
71.03957	1.4
71.04993	3.9
79.05495	46.1
81.03419	48.2
81.07058	62.7
83.04986	8.1
83.08621	19.0
85.06544	3.3
85.56947	1.6
91.05485	45.4
93.07043	40.5
95.04969	40.0
95.08606	20.0
97.06529	6.8
97.10172	10.5
98.95673	1.4
105.03375	1.9
105.07030	31.3
107.04945	11.2
107.08591	21.6
109.06557	7.8
109.10139	8.0
111.08108	7.1
113.06012	1.9
115.05441	3.2
117.07021	17.1
119.04933	2.2
119.08586	19.8
121.06514	11.9
121.10134	15.1
123.08089	4.2
125.09632	6.9
128.06210	2.7
129.07007	15.5
131.04970	3.3
131.08582	24.7
133.06496	8.6
133.10146	11.3
135.08066	6.4
135.11719	6.0
137.09627	3.4
141.06984	3.4
142.07787	3.3
143.08562	10.2
145.06465	11.2
145.10132	7.6
147.08060	8.7
147.11646	7.8
149.09627	6.0
149.13278	13.0
153.09091	1.9
153.89215	1.4
155.08566	6.8
157.10167	8.7
159.08049	5.4
159.11699	11.9
161.09654	2.6
163.11220	3.3
163.36736	1.6
167.08585	2.1
169.10167	4.8
171.08040	2.8
171.11685	5.0
173.13234	4.2
175.11203	5.5
177.12741	6.1
181.10098	2.1
183.11662	3.2
185.09689	2.0
185.13297	2.8
187.14938	2.1
189.11255	4.4
193.12265	18.0
195.13692	3.8
197.09523	1.7
197.13319	3.8
199.14816	5.3
201.12782	2.3
203.14207	2.0
209.13330	2.2
213.12712	2.4
215.14326	1.7
217.15881	6.3
223.14948	1.8
227.12715	1.8
231.13802	3.0
233.15407	2.7
234.33011	1.4
239.14302	2.5
249.14929	3.7
257.15326	1.8
275.16336	2.4
333.22250	2.6
341.24808	4.9
343.22574	7.3
351.23209	11.6
361.23981	2.3
365.20441	1.8
369.24188	24.3
387.25317	15.9
405.26508	3.0
417.26321	8.6
443.27933	22.4
461.28989	100.0
462.29163	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24478	1.3
53.03943	10.1
55.01873	16.2
55.05511	25.8
57.03435	13.0
57.07064	3.9
59.05004	3.3
61.02930	6.9
67.05511	12.7
68.99792	6.3
69.03431	68.7
69.07068	46.3
69.37241	12.7
69.37664	4.2
70.06613	2.5
71.01363	2.0
71.04991	12.0
71.08640	2.1
73.02919	8.3
79.05492	9.3
81.03423	66.7
81.07060	29.9
83.04980	17.0
83.08625	11.7
84.04498	1.9
84.08141	5.7
85.02907	100.0
85.06546	20.1
86.09714	2.0
87.00317	2.3
87.00835	34.0
87.04483	3.1
91.03976	3.1
91.05475	11.6
93.07043	15.7
95.04997	3.8
95.08610	36.2
96.84704	1.6
97.02890	34.3
97.06537	9.7
97.10165	13.3
99.04459	21.6
99.08093	30.2
100.11291	2.8
101.02395	2.1
103.03951	4.1
105.01871	27.1
105.07033	8.7
107.08594	22.9
109.02885	54.9
109.06545	4.7
109.10156	18.6
111.04449	2.2
111.08064	3.1
111.11703	10.1
113.09631	9.3
115.03926	2.5
117.01849	5.3
119.04942	2.8
119.08600	5.5
121.02812	1.8
121.06489	3.4
121.10143	29.5
123.08132	2.6
123.10880	2.5
123.11688	13.2
125.09622	10.4
125.13296	1.8
127.03919	91.7
127.11240	1.6
128.04202	2.3
129.01854	8.0
129.06995	2.0
129.12741	2.0
130.08647	1.8
131.04921	1.9
131.08533	2.1
133.10173	2.7
135.08055	2.2
135.11708	15.6
136.07610	2.9
137.02226	1.6
137.05988	7.9
137.09642	3.2
137.13240	19.2
139.11189	6.9
143.05681	9.5
143.08463	1.8
144.05907	2.6
145.03926	2.3
145.04977	24.9
145.10085	2.3
147.02910	4.5
147.11693	2.4
149.09698	2.3
149.13248	5.2
151.07564	6.3
151.14828	3.8
153.12753	16.0
159.02898	29.9
159.11728	1.9
165.09175	2.3
167.07059	5.0
175.14827	2.2
177.03966	2.3
177.05467	2.3
177.16393	71.6
189.03978	4.0
195.17451	67.5
197.09525	1.8
205.08409	1.5
210.14964	2.8
211.07541	1.7
213.03999	3.1
213.18494	46.8
213.20432	2.9
219.17441	2.8
231.04999	21.0
284.06851	4.3
289.74277	1.6
299.05740	3.5
299.08972	17.2
300.06342	2.0
315.08432	7.9
358.39041	1.6
425.21841	2.6
461.08514	3.0
461.19415	3.2
461.24704	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	461.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
55.33609	0.1
60.05632	0.2
62.16609	0.1
67.05502	0.1
69.03424	0.8
70.13815	0.5
81.03410	0.6
83.04983	2.2
85.02894	0.3
87.06712	3.7
89.58710	0.1
93.03381	0.2
97.02880	0.4
101.03481	0.2
103.24158	0.1
109.02874	0.3
111.04430	0.8
113.04598	0.2
115.06182	0.1
121.02823	0.2
125.04579	0.2
126.02981	0.3
127.03848	0.2
136.06088	0.1
139.03928	0.7
141.04068	0.6
142.04852	0.2
143.05635	100.0
144.06076	0.6
150.05511	0.8
157.04991	0.4
163.03851	0.1
168.06587	0.3
185.06688	0.3
255.08725	0.2
264.89117	0.1
278.79987	0.1
332.67313	0.1
443.14233	0.2
461.15109	5.2
462.15463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.0
57.05806	0.9
65.73035	0.5
69.03412	0.9
70.59299	1.4
70.75697	0.4
72.08154	100.0
74.28085	0.5
85.02901	2.6
94.88718	0.4
97.02895	1.1
99.04453	0.5
103.21754	0.4
118.08650	79.5
127.03930	2.3
143.05658	0.6
145.04974	1.5
163.03833	0.7
354.47177	0.5
363.85989	0.5
364.34949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01875	3.5
55.05507	4.3
56.05027	4.0
56.96563	3.8
57.03429	1.7
64.67795	1.7
65.03944	2.8
67.05502	8.6
69.03438	12.3
70.06580	9.4
70.65294	1.6
70.92060	5.0
71.04990	3.3
71.31527	1.4
72.08144	7.8
74.06087	2.0
76.02235	2.5
79.05489	4.3
81.03411	6.7
81.07055	4.1
83.04966	7.5
84.04500	5.5
84.08139	18.0
85.02931	10.2
85.06542	3.6
86.09709	11.8
87.04529	2.6
89.61377	2.1
91.05477	9.4
93.07056	13.2
94.06570	3.5
95.01284	2.1
95.04955	18.1
97.02901	13.6
97.06516	3.5
98.06085	2.0
98.97575	3.6
99.04467	3.1
101.06015	4.8
102.05536	2.3
105.07005	9.0
107.04959	2.9
107.08598	3.0
109.02838	4.1
109.06498	7.0
110.06050	3.7
111.04451	7.4
113.06010	100.0
115.03957	4.0
116.07023	1.8
116.98620	4.7
117.06921	1.9
118.38723	1.7
119.04965	3.2
119.08566	4.3
121.02890	2.4
121.06497	14.9
123.04447	5.6
123.08118	4.4
124.07658	2.1
126.09155	2.3
127.03881	6.6
128.10725	3.8
129.10233	2.5
131.08548	7.5
133.06511	4.7
133.10110	2.9
134.99725	2.6
135.04420	3.4
135.08064	7.3
136.06168	2.5
136.06561	2.2
136.07596	20.8
137.02367	3.2
137.05986	5.6
138.05501	39.6
138.06535	2.8
138.09204	3.3
139.03838	2.3
139.07561	2.0
142.04953	1.7
142.07785	2.4
143.05650	26.7
144.04041	4.6
145.02838	2.2
146.11760	2.7
147.04422	5.3
147.08017	5.8
149.05977	13.5
149.09633	5.8
151.07558	4.1
152.07025	2.7
153.01826	4.6
154.04918	1.9
154.08650	29.2
155.06895	2.3
157.10101	6.8
159.08029	6.3
159.11575	2.1
159.34187	1.9
161.01274	1.9
163.03967	4.1
163.07509	2.7
164.07118	2.2
167.07036	4.0
171.11678	3.6
172.08821	2.0
173.09567	2.5
175.03822	4.2
175.07487	1.8
175.11115	3.3
177.05586	9.4
177.09126	8.7
181.06880	2.2
182.08119	3.5
185.09625	2.8
195.08864	1.9
199.11180	5.7
201.08946	2.3
201.12312	2.1
203.10721	4.3
207.06549	5.7
215.10631	3.8
217.12157	3.4
227.10788	2.4
231.04323	2.7
243.13538	2.3
245.11719	14.8
263.12793	88.2
281.13824	34.3
285.12207	4.4
290.16022	7.5
308.09003	1.9
352.10376	2.9
359.43295	2.1
380.13712	2.1
442.17123	4.0
460.12454	18.9
460.18329	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	459.383
Annotation	Myrrhanone A
Peak:m/z	Relative Intensity
53.03950	2.8
55.05504	16.9
57.03419	4.6
57.07056	8.8
59.04976	4.3
67.05501	21.5
69.07066	23.3
71.04985	3.1
71.08607	3.2
71.60638	2.9
73.06564	3.7
79.05481	17.5
81.07047	51.3
83.08620	11.3
85.06530	4.3
91.05476	17.1
93.06485	4.3
93.07037	44.9
95.04949	3.4
95.08603	80.5
97.06503	6.4
97.10158	6.4
100.51235	2.9
105.07015	37.0
107.08581	86.6
109.06501	5.4
109.10141	58.4
111.11685	2.8
117.07004	5.2
119.08568	46.3
121.10143	67.0
121.11011	4.2
123.08047	7.1
123.11687	36.1
125.09666	3.3
129.06850	2.8
131.08557	8.9
133.10123	44.9
135.11674	64.4
137.09618	6.8
137.13278	13.2
139.11183	4.2
145.10104	16.8
147.11667	33.4
149.09601	3.8
149.13280	25.8
151.11182	13.2
151.14810	6.9
153.12679	4.3
157.10112	5.3
159.11653	21.9
160.12315	3.0
161.13260	32.2
163.11211	5.4
163.14786	24.4
165.12798	9.1
168.87206	2.9
171.11667	6.0
173.13228	16.8
174.14079	2.6
175.14798	25.1
177.16379	13.0
179.14302	8.9
187.14810	14.3
189.16338	22.2
191.14253	3.9
191.17906	34.3
193.15875	17.4
201.16344	9.7
203.17960	19.5
207.17406	7.0
213.16400	5.9
215.17932	7.9
217.19490	9.3
227.17941	4.7
229.14403	3.5
229.19655	13.7
231.21080	7.7
233.18944	3.7
243.21101	4.1
247.20578	5.1
250.38112	2.8
255.21017	3.8
259.24252	2.8
269.22510	3.3
281.22675	4.3
362.92267	3.2
365.32013	6.4
383.33075	21.3
401.34113	100.0
403.20346	6.2
404.58426	3.2
423.36148	37.0
441.37311	24.4
459.30890	34.9
459.38184	91.0
460.38373	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	459.3832
Annotation	Primulagenin A
Peak:m/z	Relative Intensity
53.03946	1.8
55.01851	1.5
55.05511	11.6
57.03409	1.4
57.07070	3.2
57.30357	1.3
64.40741	1.4
67.05502	12.0
69.03443	2.2
69.07066	18.4
71.04994	1.8
71.60424	1.7
79.05487	8.6
81.03423	2.0
81.07060	21.1
83.04967	1.9
83.08620	9.1
83.75885	1.4
85.06528	2.0
85.22053	1.5
89.41731	1.3
91.05481	7.4
93.07047	24.3
95.01320	3.4
95.05007	2.7
95.08607	39.3
96.56007	1.4
97.06512	2.5
97.10165	2.9
99.08087	3.5
104.15141	1.3
105.07017	13.1
107.08588	34.8
109.06538	1.7
109.10153	19.6
111.08077	3.9
111.11719	12.2
113.09603	2.1
117.07049	1.8
119.08570	16.5
121.10132	29.7
123.11702	10.7
125.09665	2.6
131.08577	4.3
133.10104	14.7
135.07941	2.0
135.11684	19.5
137.09650	2.3
137.13290	4.9
143.08533	3.4
145.10135	8.9
147.11691	10.7
149.09558	1.5
149.13240	13.4
155.08513	1.6
157.10078	3.8
157.48950	1.5
159.11671	17.2
161.13223	8.4
163.14815	5.3
167.14284	8.8
171.11667	3.5
173.13329	7.3
175.14879	5.8
177.16406	15.4
185.13326	2.8
187.14787	10.0
189.16341	2.7
191.17973	3.7
195.17450	13.4
199.14845	3.3
201.16362	21.0
203.17947	19.0
211.14832	2.2
213.16412	3.3
215.17953	8.7
223.16969	3.2
225.16412	1.7
227.18016	6.7
229.14316	1.4
229.19560	4.3
233.19035	7.3
235.20609	2.2
241.19554	2.8
251.20056	38.1
261.22006	1.6
267.21136	1.9
274.01740	1.6
276.26413	1.5
279.23380	1.6
281.22641	3.0
283.24152	9.1
296.09271	1.4
326.02603	1.5
405.35117	5.5
423.36215	100.0
424.36539	3.9
441.37265	33.8
459.31088	8.6
459.38281	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	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01873	10.2
55.05510	64.2
57.03429	6.1
57.07065	1.8
59.05001	2.8
60.27121	1.0
65.03942	2.7
67.05502	44.1
69.03427	4.5
69.07066	18.6
69.27990	6.0
69.28422	6.9
71.04971	1.7
75.89073	1.0
76.60786	1.0
79.05492	57.0
80.05812	1.1
81.03413	3.2
81.07056	43.1
83.05006	5.7
83.05436	1.2
83.08621	28.5
85.06534	3.3
86.50242	1.3
91.05479	43.5
93.03409	1.2
93.07041	24.0
95.04958	8.1
95.08610	15.5
97.06535	4.7
97.10169	53.3
99.08112	2.1
100.29510	1.3
101.33131	1.2
103.05475	20.9
105.03417	3.0
105.07022	36.2
107.04954	9.4
107.08588	26.2
109.06523	5.0
109.10163	9.2
111.08088	3.6
115.05466	11.5
116.06247	1.7
117.07016	63.5
119.04861	1.5
119.08585	16.4
121.06501	5.0
121.10128	7.0
123.08073	3.9
123.37914	1.3
125.09634	45.9
128.06210	6.9
129.05573	1.4
129.07008	31.9
130.07761	1.5
131.04912	5.8
131.08565	48.3
133.06464	9.0
133.10114	8.1
135.08040	12.7
135.11685	1.8
141.06984	13.0
142.07784	1.5
143.04947	2.3
143.08565	15.9
143.10748	2.3
145.06487	15.1
145.10129	16.7
147.08038	6.0
147.11720	1.7
149.09630	6.7
153.07018	3.7
153.09106	5.0
154.07701	2.6
155.08542	18.5
157.06479	7.2
157.10100	7.8
158.07234	1.5
159.08064	9.0
159.11696	5.5
161.09596	2.3
163.11211	1.2
165.07011	3.0
167.08528	5.7
168.09396	1.8
169.06442	1.4
169.10117	14.1
171.08078	3.8
171.10304	2.2
171.11707	8.2
173.09624	3.7
173.11844	1.3
173.13261	4.2
175.11198	1.3
181.06462	1.5
181.10184	4.9
182.10938	2.6
183.08058	2.0
183.11681	3.2
185.09653	2.8
185.13287	5.1
187.11275	2.4
187.14824	19.9
187.16441	2.0
189.11221	32.7
189.12871	2.1
191.08548	1.6
193.09985	1.5
193.12175	1.6
195.11716	5.0
197.09644	2.0
197.13255	19.7
199.11113	2.1
200.34479	1.2
207.11716	1.6
209.09641	1.2
209.13309	4.1
213.12758	6.3
215.14311	100.0
216.14622	1.9
219.11681	1.7
219.13847	1.1
221.13225	2.9
223.11276	2.5
223.14911	2.3
225.12761	2.9
225.16272	1.3
227.12750	36.9
227.14845	1.9
233.13373	1.4
233.15405	4.8
237.12851	2.0
239.14348	1.8
241.12234	3.3
245.13618	2.8
251.14328	2.2
253.15984	2.3
255.13635	1.3
257.15402	2.0
259.13199	2.1
259.96024	1.2
269.15448	3.6
271.16913	7.6
273.14890	2.5
289.17996	1.8
321.22211	3.2
331.20496	1.3
339.23059	5.8
349.21545	17.2
357.24344	2.3
367.22681	40.5
385.23743	28.1
403.24930	9.2
423.25375	2.1
427.06830	1.5
431.27686	1.4
441.26367	61.0
442.26617	2.1
459.27405	91.3
460.27548	2.2
461.59653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01873	10.4
55.05513	58.2
57.03434	8.1
58.18097	1.3
59.45482	1.4
65.03929	3.0
67.05506	50.6
69.03413	5.5
69.07072	13.6
69.28019	14.9
71.04982	2.2
73.89423	1.2
79.05493	54.7
81.03415	5.4
81.06583	1.8
81.07056	35.4
83.04975	7.4
83.08149	2.2
83.08619	28.1
85.06538	2.4
91.05479	43.4
93.07046	23.0
95.04967	8.6
95.08614	14.4
97.06534	2.7
97.10172	49.6
103.05460	21.9
105.03397	2.8
105.04539	1.3
105.07032	38.4
107.04975	9.7
107.08587	25.9
109.06491	5.1
109.10153	14.2
111.08074	4.3
115.05457	10.7
116.06261	2.6
117.07023	54.8
117.07858	3.0
119.04946	1.5
119.08582	16.3
121.06500	4.8
121.10139	4.8
123.08070	4.0
125.09631	41.7
128.06209	6.3
129.07010	30.4
129.52664	1.3
131.04918	5.9
131.08572	43.1
133.06490	9.8
133.10098	7.8
135.08069	9.4
137.09618	1.7
141.07002	11.5
142.07787	2.5
143.04895	2.6
143.08557	15.4
143.10533	1.8
145.06487	16.7
145.10153	12.0
147.08067	7.1
147.11693	1.6
149.09573	6.7
153.06984	3.6
153.09113	5.1
154.07832	1.7
155.08566	17.4
156.09296	1.8
157.06508	7.0
157.10156	7.5
159.08084	6.7
159.11687	3.9
161.09595	1.4
167.08566	7.0
169.10156	12.6
171.08055	5.2
171.10323	2.0
171.11639	8.3
173.09604	3.8
173.11829	1.8
173.13306	3.7
175.11189	2.5
179.08554	2.2
181.10123	4.3
182.10962	1.5
183.08160	1.5
183.11713	3.2
185.09641	3.8
185.13181	6.6
187.11172	2.4
187.14812	20.7
189.11215	33.1
189.12891	2.0
191.08609	1.4
193.10194	2.4
193.12074	2.0
195.08096	1.9
195.11736	7.0
197.09663	2.2
197.13272	22.6
199.11195	2.5
201.12715	1.6
207.11668	1.6
209.13235	2.7
213.12785	8.6
215.14314	100.0
219.13748	1.7
221.13350	2.2
223.11331	2.6
223.14902	2.1
227.12761	34.7
231.13678	3.0
233.15312	4.3
237.12769	2.7
239.14345	1.8
241.12196	4.8
243.13879	1.7
245.13792	2.2
253.15959	3.6
255.13878	3.7
259.13208	1.8
269.15344	3.4
271.16980	8.9
273.15192	2.7
289.18054	3.2
311.23746	1.7
321.22113	1.9
331.20557	2.5
339.23141	7.3
349.21619	17.9
357.24222	2.8
367.22668	40.2
385.23718	28.1
385.28427	2.0
403.24750	6.4
423.25195	2.7
441.20071	1.8
441.26355	65.6
459.27399	99.0
460.27737	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01870	9.3
55.05514	27.3
57.03444	4.6
57.07077	1.2
58.97825	0.9
59.05000	1.0
65.03948	1.2
66.07443	0.8
67.05504	30.4
69.03423	4.4
69.07080	8.2
70.27201	2.0
70.27599	2.0
71.04985	2.7
77.03915	0.9
79.05493	33.1
81.03418	25.0
81.07057	25.2
83.04980	4.7
83.08626	15.9
85.02921	1.2
85.06548	1.9
91.05482	28.8
93.07049	17.1
95.04976	14.2
95.08606	14.2
97.02892	1.6
97.06526	4.2
97.10162	21.5
98.20891	1.3
105.04488	1.0
105.07034	18.0
107.04959	15.9
107.08600	17.1
109.02886	1.2
109.06507	4.5
109.10163	9.0
111.04440	1.3
111.08070	4.2
113.06002	1.4
114.51602	0.8
115.05462	2.8
117.07015	10.5
119.04957	1.8
119.08581	13.0
121.06517	13.5
121.10152	5.3
123.04457	2.0
123.08054	7.0
123.11720	1.6
125.06032	1.4
125.09634	14.5
128.06224	3.3
128.33325	0.9
128.99057	0.9
129.07004	13.3
130.07773	0.9
131.04924	5.7
131.08557	14.0
133.06488	8.1
133.10098	8.2
135.08064	5.6
135.11710	1.9
137.06027	1.0
137.09607	2.5
139.07581	1.4
141.06996	4.8
142.07803	2.0
143.05681	1.8
143.08554	8.2
143.10602	0.9
144.05687	2.0
145.06482	28.0
145.10144	5.3
147.04413	2.6
147.08080	6.1
147.11711	7.6
149.09642	4.1
151.07527	1.5
151.11221	1.3
153.07060	1.2
153.09138	5.0
153.12758	2.3
155.08530	5.5
157.06520	5.7
157.10114	8.2
159.08083	7.1
159.11659	2.9
161.06015	4.7
161.09645	3.3
163.07562	1.2
163.11176	4.2
165.09109	4.0
165.12723	1.1
167.07095	1.8
167.08478	1.7
169.06531	2.7
169.10129	4.4
170.05191	1.0
171.08066	7.4
171.11627	4.7
173.09633	4.7
173.13280	1.6
175.07573	2.5
175.11153	6.1
179.08501	1.0
181.06477	1.0
181.10135	1.2
183.08067	2.8
183.11656	2.5
185.09674	3.1
185.13286	2.5
187.07623	1.1
187.11177	2.1
187.14896	2.5
189.09482	1.5
189.11250	7.3
189.12810	3.8
193.10413	1.9
193.12231	15.7
193.32288	0.9
193.44624	1.0
195.08116	2.1
195.11729	4.6
195.13382	0.9
197.09700	3.2
197.13324	3.4
199.11226	4.3
203.14397	1.2
205.12234	1.8
209.09587	1.3
209.13219	2.0
211.11252	1.9
211.13338	2.6
213.12753	3.6
215.14322	3.1
217.12328	1.7
219.11687	1.0
219.13841	1.2
223.11229	2.2
225.12752	2.7
227.14360	4.0
231.13812	2.2
233.15392	6.3
235.11125	1.2
237.12794	4.6
239.14345	1.7
241.14285	1.1
243.13895	1.4
249.11137	1.8
249.14874	2.6
251.14491	1.1
255.13844	6.5
259.13104	1.3
263.16589	1.4
271.17020	2.3
273.14859	22.5
273.17816	1.7
283.16919	1.1
285.14435	1.0
287.16513	2.5
289.18292	1.5
299.16382	1.3
301.18164	1.0
311.16431	1.3
321.22372	1.4
331.20563	2.7
339.23325	8.3
349.21609	19.1
349.25684	1.3
357.24301	5.9
358.24356	1.2
367.22684	53.7
368.23007	1.5
385.23743	45.8
386.23929	1.4
403.24826	10.1
405.24167	3.8
423.25369	3.4
427.60257	1.3
441.26462	8.7
459.27432	100.0
460.27789	3.6
474.71976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.0
55.01869	11.7
55.05511	25.1
56.00202	4.0
56.96591	5.2
57.03430	11.9
59.04988	5.8
60.67883	3.8
61.02917	7.2
67.05499	25.2
69.03426	46.8
69.07069	30.3
69.29340	45.1
70.06588	10.4
71.04990	14.6
72.08134	5.6
73.02919	5.9
79.05491	20.3
81.03419	31.1
81.07056	44.9
83.04982	7.8
83.08615	10.4
84.08130	8.7
85.02903	64.5
85.06562	4.9
86.09714	18.3
87.00826	19.4
91.03936	4.8
91.05459	30.7
93.07045	27.7
95.04964	19.3
95.08596	35.7
97.02914	30.0
97.06531	27.2
98.21532	9.0
99.04459	26.7
103.05457	7.0
104.67439	4.4
105.01863	16.1
105.07032	29.7
107.04936	7.7
107.08619	22.8
109.02862	26.0
109.06494	24.1
109.10148	29.3
111.08050	5.7
111.11688	5.8
114.16946	4.1
115.07552	12.3
117.06931	3.9
119.04916	7.4
119.08573	31.1
120.01491	4.2
121.02880	7.8
121.06528	9.0
121.10151	28.6
123.04428	7.4
123.08062	15.0
123.11732	23.6
125.09641	7.2
127.03927	35.8
129.06998	8.0
131.08553	15.0
133.06538	5.5
133.10127	44.9
135.04388	6.2
135.08052	5.9
135.11678	49.4
137.05989	13.4
137.09622	16.2
141.12744	7.2
143.05638	85.4
144.05806	5.6
145.04984	12.4
145.10139	8.8
147.04430	7.2
147.11697	10.6
149.09656	6.9
149.13261	22.9
151.03961	5.0
151.07553	7.5
151.11169	9.2
157.10138	6.6
159.02885	11.0
159.08098	12.7
159.11652	6.7
161.05908	5.0
161.09647	5.4
165.12720	10.3
167.07033	32.3
173.13315	5.2
174.06848	6.8
175.03880	5.8
175.14816	70.6
177.05502	11.0
179.07018	5.2
187.07623	10.2
191.10677	4.0
193.15878	74.4
207.06522	6.4
207.51610	5.3
209.15414	7.4
211.16939	100.0
231.04898	4.7
231.10118	5.5
232.95067	4.6
247.04678	5.2
249.11238	11.7
256.22260	4.6
257.07791	5.6
262.58096	4.5
263.59628	4.4
309.04025	10.9
309.07544	4.7
421.60925	4.4
441.15417	5.5
459.22302	15.0
459.26636	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52460	2.4
53.36615	2.9
55.05506	6.8
61.02924	3.0
67.05511	19.2
69.03416	14.0
69.07066	10.0
70.92588	5.8
72.59720	2.4
81.03400	5.3
81.07050	18.7
83.04976	11.6
83.08632	6.1
85.02901	15.9
85.06548	6.1
91.05486	5.4
93.07028	6.9
95.08604	32.7
97.02901	4.9
105.07025	6.1
107.08588	20.0
109.02902	5.3
109.06508	11.2
109.10158	100.0
111.07973	3.4
113.09592	3.2
119.08591	32.4
121.10146	13.3
123.08067	12.3
123.11697	7.0
127.03920	6.8
133.10136	19.1
135.11696	94.3
137.09637	21.9
139.11168	4.5
143.05704	7.9
149.13255	5.7
151.11171	8.7
151.14825	10.8
153.92940	2.6
163.85172	2.7
165.16405	4.9
167.07068	8.6
173.06044	2.8
175.14825	41.2
175.16235	3.9
193.15889	56.9
195.11861	3.4
211.16920	97.0
212.17186	2.7
239.82773	2.6
249.11145	3.2
343.88095	2.7
353.11633	2.8
468.56207	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.0
55.01870	11.3
55.05500	15.1
56.96574	6.3
57.03444	5.9
57.07083	5.7
61.02922	7.5
65.03934	7.6
67.05515	40.8
69.03432	43.5
69.07077	23.2
71.04986	12.3
71.27989	7.9
72.08140	9.6
79.05482	19.2
81.03413	26.3
81.07066	44.3
83.04990	24.7
83.08627	12.8
84.08139	5.2
85.02416	6.9
85.02916	57.2
85.06536	16.0
86.09714	8.7
87.00829	12.4
91.05471	25.2
93.07046	21.6
94.06594	5.8
95.04954	11.4
95.08612	47.4
97.02884	17.9
97.06519	5.2
99.04442	9.0
99.08131	4.3
105.01870	16.2
105.07043	17.2
107.04934	10.9
107.08588	29.3
109.02241	5.2
109.02868	30.2
109.06530	12.1
109.10168	92.6
119.04961	4.3
119.08595	50.1
121.06475	9.4
121.10155	15.8
122.06019	14.4
123.04456	5.3
123.08052	14.7
123.11748	6.8
125.09628	5.0
127.03916	38.1
129.07021	10.7
131.04910	6.4
131.08542	13.7
133.10120	29.5
135.11705	80.9
137.05959	12.8
137.09586	23.0
143.05649	100.0
145.04927	10.5
145.06512	6.6
145.10143	4.8
147.04353	6.5
149.13231	7.8
151.03911	5.6
151.07468	7.0
151.11218	9.1
151.14728	5.0
157.06512	5.8
159.02911	9.2
159.08015	10.3
159.11719	5.4
161.09656	6.1
165.05597	4.7
165.09122	14.7
167.07056	49.8
171.08064	5.4
175.14862	41.0
177.16493	6.0
187.07611	12.8
193.08617	6.6
193.15901	58.1
211.09633	5.8
211.16949	78.1
218.50597	4.1
249.11418	26.3
279.11426	4.3
313.11209	4.9
324.77808	4.5
459.19818	15.6
459.27042	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	457.241
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
53.03957	0.6
55.01859	0.4
67.05504	0.8
69.03437	0.8
69.07069	0.7
69.85889	0.8
69.86285	2.6
70.06594	1.6
81.03428	0.7
81.07044	0.5
84.69456	0.4
85.02897	0.6
86.09707	2.0
91.05474	1.0
93.07048	1.0
95.04953	0.5
95.08621	0.9
105.07030	0.8
107.08622	0.5
109.02879	0.7
111.04436	0.5
121.02859	0.9
121.10107	0.5
127.03929	0.8
133.10149	0.8
137.06081	0.6
143.05669	1.6
143.08577	0.5
145.10210	0.5
167.07072	0.4
191.14240	0.8
203.05373	0.8
209.15488	0.5
277.17776	8.5
279.19333	5.5
294.05399	0.6
295.06180	0.4
295.18591	1.5
297.07709	0.7
307.06003	1.3
308.06720	1.0
325.07178	2.6
337.06927	2.1
379.08395	0.6
393.09924	0.6
402.72119	0.5
421.09042	0.7
439.10367	1.6
439.22644	0.5
457.24118	100.0
458.24557	5.2
468.28903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3676
Annotation	Petatrichol B
Peak:m/z	Relative Intensity
50.22153	1.4
53.03950	1.7
55.01883	1.7
55.05506	6.3
57.07083	2.2
62.24841	1.4
66.24896	1.4
67.05502	14.4
69.07067	11.2
71.60400	2.3
79.05502	6.3
81.07055	22.0
83.08635	3.5
85.06544	3.0
91.05485	8.2
93.07041	20.8
95.04949	2.6
95.08604	35.7
97.06525	3.2
97.10175	2.7
98.98520	2.7
105.07028	15.9
107.08598	26.7
107.81263	1.3
109.06499	2.2
109.10154	23.9
111.08096	2.0
111.11732	1.6
117.07009	3.9
119.08570	17.4
121.06546	2.1
121.10152	26.7
123.11721	5.5
125.09644	2.3
129.06964	1.8
131.08551	8.6
133.10139	17.2
135.08092	3.7
135.11693	12.9
137.13248	3.9
143.08595	4.6
145.10092	14.4
147.11684	8.4
149.09653	3.7
149.13280	5.0
157.10178	3.9
159.11649	12.9
161.13278	10.1
163.14809	4.1
165.12796	1.5
169.10136	1.6
171.11726	3.9
173.13292	7.7
175.13535	1.6
175.14735	6.6
177.16382	25.5
185.13342	2.6
187.14781	8.8
189.16393	8.2
191.14326	1.8
191.17947	3.7
195.17590	1.3
199.14844	4.2
201.16376	23.1
203.14326	2.1
203.17940	3.8
213.16382	4.6
215.17998	4.3
217.15906	2.0
217.19466	1.6
219.17543	2.5
223.16934	2.5
225.13719	1.5
229.19588	2.0
231.17482	2.1
233.19113	2.3
245.19212	1.6
249.18416	1.7
271.20721	1.5
301.07880	1.4
303.23410	1.5
403.33771	2.5
421.34778	12.4
439.35703	17.9
457.36813	100.0
458.37311	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.05502	7.8
56.96552	6.8
57.03448	2.8
61.02946	4.1
67.05493	11.2
69.03429	14.5
69.07070	14.3
70.06590	4.2
70.85188	5.8
71.04993	7.4
72.08155	4.1
77.95684	2.5
79.05505	10.1
81.03433	12.8
81.07067	19.4
83.04968	17.0
83.08607	6.5
84.08153	2.9
85.02901	19.7
86.09721	8.4
91.05487	18.4
93.07047	15.3
95.04962	7.4
95.08595	24.2
97.02895	10.2
97.06528	4.3
98.97586	4.0
99.04470	4.6
99.08110	8.5
105.07028	13.2
107.04967	7.8
107.08604	35.6
109.02874	8.0
109.06515	13.6
109.10164	20.4
111.08105	4.2
115.05460	4.1
116.98622	2.5
119.04974	7.4
119.08597	11.1
121.06526	7.9
121.10140	36.8
122.07288	4.1
123.08055	6.9
123.11710	5.2
125.09624	11.4
127.03905	16.7
128.98624	3.8
131.08574	8.4
133.10132	43.8
135.08052	14.1
135.11681	9.0
137.05992	5.9
137.09612	25.6
139.07697	2.3
139.11151	6.2
141.15535	2.6
143.05640	5.4
145.02878	6.4
145.10118	6.7
147.04411	7.3
147.11703	9.7
149.09644	13.9
149.13258	23.3
151.11182	85.3
153.09123	3.6
158.10884	3.2
161.05896	3.5
161.09695	3.7
163.11198	3.5
163.14835	14.5
165.09125	2.7
165.12793	8.5
167.07100	6.5
167.10683	3.0
170.55853	2.5
173.13257	17.0
175.03990	6.1
177.05533	8.0
191.14308	92.2
207.06555	8.1
209.15375	80.6
209.17363	3.6
210.15849	2.5
219.01657	5.4
219.57190	2.6
237.02873	10.4
245.10672	4.2
305.83154	3.5
345.06097	3.6
371.13828	4.5
389.14648	22.4
407.03433	2.5
413.15497	15.0
431.15918	7.6
457.14777	100.0
457.20718	10.7
457.24362	12.8
458.15036	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	457.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87136	2.7
70.40614	9.2
84.08154	3.6
85.02883	3.2
87.03313	3.0
94.36223	3.7
97.71783	3.2
98.97562	5.7
106.43965	3.3
112.89608	3.7
114.89333	85.7
116.98657	6.4
119.94142	3.2
143.05615	6.1
157.75836	3.6
269.05515	9.9
277.00134	7.4
294.94086	3.2
381.07578	3.7
384.23291	3.6
413.08414	11.5
457.07175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.01872	4.2
55.05504	4.6
57.03423	2.6
61.02926	2.5
65.03930	1.7
67.05504	5.7
68.99773	2.4
69.03426	18.4
69.07057	5.0
69.65077	8.3
69.65482	4.5
70.06580	4.4
71.04971	2.4
79.05499	6.1
81.03431	12.0
81.07059	12.3
83.04971	4.4
85.02898	15.7
86.09728	2.9
87.00814	5.8
91.03961	1.9
91.05463	14.8
93.07059	8.7
95.04961	4.5
95.08579	8.7
97.02897	8.2
97.06514	2.6
99.04440	2.5
105.01862	4.5
105.07021	13.0
107.04919	3.6
107.08588	19.9
109.02918	10.2
109.06535	10.3
109.10143	7.0
117.07049	2.1
119.04942	4.4
119.08585	5.9
121.06435	2.0
121.10154	18.9
121.47195	1.9
122.07295	4.5
123.08084	8.9
123.11691	4.5
127.03895	11.5
131.08549	6.1
133.10130	78.3
135.08034	7.9
135.21234	1.8
136.06194	2.6
137.06000	2.7
137.09615	42.3
143.05624	5.4
145.04968	4.3
147.04399	3.2
147.11668	3.7
149.09604	8.6
149.13252	12.4
151.11180	44.7
159.02907	3.6
161.13229	3.0
163.14810	1.9
165.12756	30.8
173.13234	9.2
175.03963	2.4
178.61377	1.9
191.14313	45.6
193.15891	8.1
196.59573	2.0
204.93617	2.0
207.06581	5.3
208.06873	2.2
209.07036	2.2
209.15356	100.0
237.02861	3.0
269.58887	1.8
291.69214	2.2
389.14908	2.0
457.14944	3.5
457.23926	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	456.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
55.05524	0.7
56.96565	1.0
57.03429	1.8
61.02932	1.6
65.03937	1.2
67.05487	1.1
68.99787	0.9
69.03428	2.1
69.07058	3.2
70.06587	6.7
72.08139	1.9
73.02913	1.2
75.31602	0.7
77.24281	0.7
79.05482	1.5
81.03448	1.3
81.07045	1.3
81.14200	0.7
84.08125	2.7
85.02906	5.2
86.09708	14.9
86.10232	0.9
87.31794	0.7
91.05486	4.4
93.03416	1.8
94.06593	1.4
95.04940	0.9
96.08131	1.4
97.02876	1.7
98.21524	1.9
98.97589	0.9
103.03963	1.6
103.05521	1.1
105.07066	0.9
106.06544	1.7
107.04948	3.8
109.02880	1.9
110.06098	0.8
110.07182	1.2
111.04440	1.1
115.05498	0.8
116.07087	1.3
118.06547	7.1
119.04977	8.3
119.07327	73.4
120.08157	3.7
121.02876	17.6
121.06547	1.1
122.06025	2.9
123.04414	2.1
124.07600	2.3
127.03907	1.7
130.06538	3.8
131.04909	0.8
133.02859	1.4
133.06407	0.9
134.06018	13.9
134.99651	1.0
135.04428	2.2
135.06802	9.8
136.07513	1.1
137.05972	1.1
140.07007	2.2
143.05656	11.0
145.02820	2.6
146.05975	2.2
147.04427	3.8
147.09167	1.2
148.07565	4.9
150.05495	4.0
151.03880	0.9
155.08432	0.8
163.03896	1.9
167.07077	0.9
168.06552	1.1
173.02420	1.0
175.03925	2.5
176.04335	1.0
176.07117	4.2
177.05489	2.1
179.03397	3.6
181.04967	1.0
187.03961	1.4
189.01868	2.9
189.03659	0.7
189.05437	1.2
189.07059	0.8
190.02728	0.9
191.03421	3.1
195.02855	3.0
201.05495	1.1
203.03363	1.8
207.02942	5.3
207.06447	1.9
207.08102	2.3
210.06877	1.0
215.03352	0.9
217.06624	1.0
219.02966	1.4
223.07654	1.6
225.03859	1.5
225.09077	1.6
229.05019	2.0
233.04471	2.2
235.07472	2.2
237.09009	2.7
239.10655	0.9
240.10220	1.6
241.08673	1.3
244.86032	0.8
251.06960	2.5
252.10222	13.9
254.11781	17.5
256.09668	5.8
267.06448	2.0
268.07300	3.5
269.12869	33.3
270.11157	2.1
279.06531	3.3
280.07068	1.3
280.09729	2.6
281.08099	1.4
283.05881	1.1
285.03961	1.3
287.13849	1.2
293.08041	3.2
294.05240	6.1
295.06027	14.3
295.09384	1.9
295.16333	0.9
296.06641	3.6
297.07550	5.7
297.12042	0.7
298.10730	7.6
307.06003	17.2
308.06772	10.0
309.07513	2.3
313.06998	2.8
315.13388	100.0
316.13467	1.2
318.09131	1.1
319.06006	1.6
320.06775	1.3
321.07413	5.6
322.08307	7.8
322.14145	0.8
322.17868	1.5
323.09293	2.4
325.07068	66.3
335.09024	1.3
336.06042	1.3
337.07059	23.4
337.10651	0.8
337.19046	1.5
338.17215	0.9
339.08691	1.1
347.08969	3.7
349.07123	2.6
351.04480	1.1
351.08643	18.2
361.06836	1.5
363.08392	1.2
365.06558	0.8
365.10388	6.4
367.08014	3.1
375.08545	2.9
379.08130	34.8
382.21143	2.3
383.19391	3.7
391.08109	9.4
393.09708	1.9
393.18057	3.8
403.08154	11.7
409.09232	9.2
411.19223	4.8
421.09152	11.5
428.21820	23.0
439.10172	15.3
439.18832	7.1
456.14920	5.2
456.21475	6.6
457.11288	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	456.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63577	0.3
55.01880	3.1
55.05531	0.4
56.05014	0.3
56.96577	0.3
57.03418	0.3
67.05478	0.4
69.03427	0.6
69.07059	1.4
70.06594	1.8
71.60696	0.4
72.08129	0.9
73.02911	0.5
79.05508	0.5
81.03410	0.7
81.07035	0.5
84.08129	0.6
85.02892	1.1
86.09702	1.2
91.05479	1.2
93.07033	0.4
95.04956	0.5
96.04478	0.4
97.02878	1.1
97.06509	0.4
98.97594	0.6
99.04469	0.5
103.07571	0.6
105.07040	0.5
107.08566	0.5
108.04494	0.4
109.02908	0.4
110.06010	0.4
112.07600	0.4
112.82635	0.4
116.98661	0.4
119.04938	1.4
119.08501	0.4
120.05255	0.4
120.08081	0.7
121.02890	0.5
122.06055	0.5
124.07571	0.4
127.03989	0.4
133.10184	0.3
136.07625	0.4
137.05971	0.5
138.09229	0.4
140.07065	3.1
141.07005	0.3
143.05629	1.5
145.02846	0.6
146.03152	0.4
146.06012	0.4
147.04395	0.6
148.04778	0.4
148.07610	2.7
160.07542	0.4
162.05536	0.5
164.07025	2.5
167.07132	0.4
168.06528	3.1
170.08109	0.5
174.05551	0.6
174.09245	0.5
175.03986	0.8
176.04253	0.6
177.00618	0.4
177.05505	0.9
178.05814	0.5
198.09204	0.6
199.08690	3.1
207.06526	1.1
208.06886	0.9
208.13362	0.3
210.09251	0.4
212.09505	0.9
213.10237	0.9
215.11797	0.9
219.10106	0.4
225.10193	3.4
226.08569	1.1
226.12375	0.4
227.08224	1.8
227.11810	1.6
241.09677	0.7
241.13437	0.7
242.10513	0.6
243.11308	1.1
252.10306	0.7
255.11308	14.0
269.12903	3.9
287.13919	0.6
297.09171	0.6
297.12317	5.3
315.13391	100.0
316.13846	1.8
325.06964	0.4
413.17770	1.0
456.22849	5.0
457.07367	0.4
457.17468	2.0
457.24023	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2132
Annotation	Renieramide
Peak:m/z	Relative Intensity
55.01866	2.3
55.05506	0.7
56.96563	0.7
67.05499	2.9
68.36629	0.5
69.03415	1.4
69.07056	1.8
70.06607	3.8
71.05000	0.5
71.60387	0.8
72.08126	0.9
75.84068	0.5
79.05505	1.0
81.03425	0.6
81.07063	0.7
84.08155	0.9
85.02906	1.2
86.09731	1.2
90.18343	0.5
91.05474	2.3
93.07055	1.3
95.08622	6.7
95.09200	1.0
96.04497	0.6
97.02914	0.9
97.06528	0.7
98.06069	0.7
98.97601	0.6
105.07043	1.1
107.08601	0.8
108.04432	0.6
108.09045	0.5
109.02940	0.9
111.04442	0.6
119.04935	1.6
119.08572	0.7
120.05267	0.6
122.06025	0.9
123.08078	0.9
124.07597	0.9
124.19144	0.5
127.03874	0.6
133.10182	0.8
135.08040	0.6
136.07629	0.7
136.11212	0.9
138.09148	1.1
140.07083	2.7
143.05656	2.7
144.04002	0.8
147.04431	2.0
148.07579	3.8
152.05843	0.7
152.14391	0.5
163.03897	0.9
164.10706	9.0
168.06558	3.1
170.08214	0.7
170.09575	0.6
174.09283	1.2
175.03929	1.6
176.04373	0.5
177.05473	0.9
177.10248	0.8
178.08624	0.6
191.14188	0.6
192.10211	11.5
198.09177	1.0
199.08670	3.4
202.08533	0.5
205.09749	0.6
207.06509	3.0
208.06947	2.7
210.09242	0.8
213.10283	1.1
214.10989	0.9
215.11795	1.1
219.11194	0.7
224.10651	0.6
225.10201	3.3
226.08646	1.4
227.08113	1.2
227.11809	1.9
229.09578	0.7
241.09889	1.2
242.10367	0.9
243.11351	1.6
255.11301	14.3
265.11823	23.2
269.12830	3.3
289.11856	2.3
297.12439	4.3
313.11816	0.7
315.13385	100.0
316.13766	2.5
317.11386	1.0
333.14148	0.6
438.20352	1.3
456.15460	0.6
456.21652	17.3
457.23969	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3519
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.05500	3.3
55.48805	0.8
57.07062	1.6
57.20978	0.7
63.57987	0.8
64.49923	0.7
65.03940	0.9
67.05508	5.3
69.03432	1.2
69.07065	5.6
79.05489	5.9
81.07062	12.9
83.08618	3.6
85.06538	1.8
91.05486	5.3
92.81821	0.8
93.07042	11.6
95.04942	1.7
95.08601	15.8
97.06523	2.7
97.10143	0.9
99.08096	1.6
105.07020	11.8
107.04942	1.1
107.08594	19.6
109.06515	2.7
109.10155	10.8
111.08089	1.4
117.07016	2.4
119.08575	22.9
121.06524	3.2
121.10147	10.5
123.08054	2.4
123.11709	3.4
125.05996	7.3
131.08583	4.1
133.10126	21.2
133.11081	1.6
135.08081	3.4
135.11691	24.3
137.09641	2.0
137.13322	0.9
139.07561	3.5
143.08577	3.1
145.10107	13.0
147.08070	0.9
147.11668	14.5
149.09651	1.2
149.13263	2.2
151.11224	2.1
155.08549	1.7
156.09378	1.8
157.05833	1.0
157.10141	2.8
159.08081	2.9
159.11745	4.8
161.09653	2.9
161.13277	4.0
163.11195	1.3
163.14828	7.0
165.12741	1.0
169.10153	2.1
171.11711	3.0
173.09608	6.0
173.13260	2.9
175.11180	7.3
175.14868	1.6
175.96538	0.9
177.09135	3.6
177.16373	1.0
183.11771	1.4
185.13231	2.1
187.11169	11.2
187.14783	7.7
189.16383	43.0
191.10698	3.4
197.13257	4.1
199.14925	2.5
201.12730	1.0
201.16374	1.8
203.18080	1.1
205.15828	4.7
205.19446	1.2
207.17430	100.0
208.17805	1.4
211.14845	3.4
213.16483	1.2
214.13625	1.3
215.14297	16.1
216.14755	1.1
217.15820	1.3
229.15866	86.6
230.16197	1.2
231.17424	10.2
233.15356	34.7
243.17516	4.0
247.16917	27.5
248.17503	1.1
257.19064	2.6
269.18912	1.4
283.20575	5.0
285.22247	1.1
297.22287	1.5
419.33099	4.7
437.34183	37.8
438.34464	1.8
455.35208	88.9
456.35590	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	455.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01842	1.5
55.05494	1.3
56.05012	0.8
56.96539	0.6
57.03419	1.0
61.02938	4.1
65.03909	1.5
67.05498	3.1
68.97807	0.5
68.99793	4.5
69.03434	4.7
69.07039	1.1
70.06560	1.7
70.72478	1.2
70.72814	0.9
71.04967	1.2
73.02901	1.3
74.06058	0.6
79.05511	2.7
81.03385	2.2
81.07076	3.6
83.04956	0.8
83.08549	0.9
84.04476	0.8
84.08108	1.5
85.02917	2.7
85.03320	0.5
86.09703	0.9
87.00790	1.6
88.92206	0.5
89.03879	1.4
91.05489	25.7
93.07043	2.7
95.04942	2.3
95.08585	2.3
97.02869	2.1
97.06507	1.0
98.06033	0.7
98.20722	0.5
99.04465	1.1
103.05470	1.2
105.03346	0.6
105.07049	6.3
107.04968	1.1
107.08580	2.2
109.02903	3.4
109.05698	0.5
109.06493	1.1
109.10119	1.7
111.04408	1.1
117.03343	1.1
117.07030	2.4
118.04120	0.6
119.03452	1.1
119.04948	31.6
119.08595	3.7
120.05255	0.6
121.06547	0.8
121.10134	0.9
122.06010	1.1
123.04408	1.0
123.08032	0.8
125.05951	0.7
125.09588	0.7
127.03923	3.6
128.06215	0.6
129.01845	4.0
129.06990	1.0
131.04907	1.0
131.08574	3.1
132.02060	1.5
133.02861	1.1
133.10147	4.4
135.04398	1.3
135.11690	0.9
136.05211	0.7
137.05945	1.2
143.05624	3.7
143.08566	9.0
144.09262	1.6
145.02852	7.1
145.06438	0.9
145.10126	2.9
147.04411	30.0
147.11531	0.6
148.04732	1.4
149.02338	1.0
149.05939	1.3
149.09622	0.7
151.03928	0.8
157.03940	2.0
157.10095	0.8
159.08060	1.3
159.10451	1.0
159.11697	11.8
161.05923	0.8
161.09576	0.7
163.07561	0.6
164.04581	0.8
165.09200	0.7
167.07129	2.6
169.10164	0.7
175.03918	48.6
176.04323	1.1
177.05470	8.7
179.07039	2.6
185.04230	0.6
187.11156	3.3
189.12822	0.6
203.07106	0.7
204.10213	0.6
205.12288	2.7
207.06540	95.6
208.06830	3.3
215.07001	0.7
219.06567	0.6
224.28195	0.5
237.02843	1.0
245.08105	1.0
245.15556	0.5
249.07625	0.7
261.07526	0.7
263.09064	2.5
271.10040	0.8
275.16125	0.7
287.09210	0.7
291.08731	3.3
293.17239	100.0
294.17712	2.0
309.13449	1.2
315.08755	2.3
333.09711	0.7
436.18546	0.6
449.62259	0.6
454.85141	1.0
455.12036	3.6
455.22617	87.7
456.22821	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
53.03956	0.3
55.01877	0.3
55.05510	0.3
55.54518	0.2
61.02929	4.5
65.03926	1.3
65.35741	0.2
67.05506	0.7
68.99794	5.6
69.03430	2.1
69.90851	1.2
76.03176	0.4
77.03928	0.6
79.05505	0.3
81.03417	1.3
81.07045	0.6
85.02899	0.7
87.00835	1.6
89.03932	0.7
91.05482	23.8
92.05830	0.5
95.04976	0.6
95.08637	0.3
96.24151	0.3
103.05461	0.7
105.03396	0.4
105.04502	0.3
105.07024	0.5
107.04962	0.4
109.02863	1.7
109.10155	0.7
115.05454	0.3
118.04145	0.4
119.04943	33.6
120.05200	0.3
123.04456	0.7
127.03931	1.8
129.01843	5.2
129.03352	0.5
131.04958	0.4
132.02089	1.3
133.02855	0.4
133.06526	0.4
135.04401	0.4
136.05197	0.7
145.02837	0.7
147.02963	1.7
147.04411	28.6
148.04764	0.6
149.02344	0.9
151.03912	0.2
157.03976	2.5
157.06543	0.3
161.06015	0.6
162.03168	0.3
164.04668	0.6
164.11047	0.2
167.07059	1.7
175.03911	52.6
176.04333	1.0
177.05458	0.4
178.02676	0.3
179.03371	0.3
179.07036	2.3
189.05426	0.4
191.07112	0.3
192.04259	0.5
193.08647	0.3
207.06529	100.0
208.06876	2.1
215.07034	0.3
219.06558	0.6
220.03995	0.2
231.06508	0.4
245.08119	0.7
249.07623	0.9
259.09726	0.3
263.09036	1.3
273.07541	0.6
287.09189	0.9
291.08691	2.0
315.08716	1.4
333.09576	0.4
351.10794	0.3
437.10764	0.3
455.11877	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	455.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01870	0.4
61.02925	3.9
65.03934	1.7
67.05512	0.3
67.26044	0.3
67.33255	0.3
68.99791	5.2
69.03425	2.8
69.88648	1.7
71.04996	0.5
73.31033	0.3
75.18774	0.3
76.03164	0.5
77.03927	0.6
79.05471	0.4
80.06251	0.3
81.03424	1.5
81.07058	0.7
85.02905	0.8
87.00835	2.0
89.03913	1.0
90.98758	0.3
91.05479	24.0
92.05821	0.4
93.07065	0.4
95.04947	0.9
97.02883	0.6
98.20679	0.4
101.16060	0.3
103.05460	0.7
105.03373	0.7
107.04952	0.4
109.02880	2.3
109.10094	0.5
117.03386	0.7
119.04940	36.6
120.05252	0.4
121.02869	0.4
123.04405	0.7
127.03928	2.0
129.01839	5.4
129.03340	0.4
131.04936	0.5
131.08710	0.3
132.02060	1.6
133.02823	0.5
133.06511	0.6
135.04379	0.6
136.05188	0.7
137.06015	0.3
145.02840	1.7
147.02985	1.2
147.04405	31.8
148.04758	0.5
149.02348	1.5
149.05948	0.4
151.03888	0.3
151.11150	0.3
157.03958	2.6
161.05963	0.7
164.04671	1.0
167.07028	1.8
175.03903	56.2
176.04326	1.1
177.05461	2.1
179.03387	0.3
179.07043	2.9
180.26375	0.3
189.05519	0.4
193.08684	0.4
207.06520	100.0
208.06827	3.1
215.07031	0.4
219.06508	0.7
221.08092	0.7
225.07478	0.6
231.06581	0.7
245.08141	0.8
249.07600	1.1
261.07663	0.7
263.09103	1.6
287.09048	0.7
291.08633	3.0
315.08646	1.3
333.09708	0.8
338.73389	0.3
348.65738	0.3
391.49811	0.3
455.11819	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	455.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03959	0.2
55.01868	0.2
55.05507	0.6
55.14440	0.2
57.03434	0.2
61.02924	4.3
61.03216	0.4
62.89445	0.2
63.37942	0.2
65.03934	1.4
67.05501	0.8
68.99789	5.6
69.03425	2.6
69.07077	0.3
70.06619	0.4
71.01337	0.2
71.04993	0.4
72.08137	0.2
77.03939	0.6
79.05478	0.6
81.03427	1.6
81.07047	1.0
83.04955	0.2
83.08617	0.4
85.02922	1.0
85.06527	0.3
87.00826	1.7
89.03915	0.8
91.05476	25.5
92.05811	0.3
93.03416	0.2
93.07030	0.5
95.02953	0.2
95.04979	1.0
95.08607	0.5
95.69080	0.2
96.08159	0.2
97.02905	0.6
97.06533	0.2
97.10176	0.2
99.04466	0.2
100.11279	0.3
103.05457	0.9
105.03419	0.4
105.07024	1.1
107.04950	0.6
107.08575	0.6
108.05740	0.3
109.02878	2.0
109.06529	0.3
109.10151	0.6
109.17748	0.2
111.08101	0.2
114.09145	0.4
115.05492	0.2
115.67424	0.2
117.03400	0.8
117.07027	0.3
118.04195	0.4
119.04936	33.8
119.08591	0.6
120.05254	0.4
121.02883	0.3
121.06567	0.2
121.10146	0.5
122.03602	0.2
123.04424	0.7
127.03902	2.2
129.01839	5.0
129.03381	0.6
129.04425	0.2
129.06934	0.2
130.04144	0.2
131.04918	0.5
131.08539	0.4
132.02039	1.5
133.02875	0.5
133.06473	0.4
133.10150	0.4
135.04456	0.5
135.07961	0.2
135.11723	0.3
136.05200	0.4
137.05949	0.4
137.09579	0.3
142.08629	0.4
143.05663	0.5
144.19110	0.2
145.02843	2.2
145.06508	0.2
145.10114	0.3
146.03580	0.3
147.02963	1.6
147.04404	30.2
147.11682	0.2
148.04778	0.7
149.02333	1.2
149.05998	0.4
149.13260	0.2
150.03087	0.2
151.03897	0.4
157.03963	2.7
157.06485	0.2
157.10107	0.2
159.11732	0.4
161.05972	0.7
161.09547	0.3
162.03059	0.2
163.03911	0.2
163.11195	0.2
164.04695	1.1
165.09125	0.4
167.07066	1.9
169.06357	0.3
170.15384	0.5
170.25720	0.2
175.03899	52.4
176.04269	1.2
177.05472	3.2
178.02650	0.2
179.03389	0.4
179.07025	2.6
182.15335	0.2
183.08029	0.2
185.06113	0.2
187.07535	0.4
189.05460	0.6
191.07094	0.3
192.04181	0.4
193.08640	0.3
198.14934	0.2
205.12297	0.2
207.06519	100.0
208.06865	2.8
210.14777	0.2
215.06903	0.4
219.06560	0.8
221.08098	0.6
225.07571	0.5
231.06581	0.4
245.08040	1.1
247.06027	0.4
249.07585	1.4
261.07590	0.5
263.09122	1.2
263.20093	0.2
273.07605	0.5
275.20078	0.3
287.09116	0.7
291.05673	0.3
291.08646	2.8
291.11639	0.3
293.17322	0.3
293.21085	0.3
315.08603	1.6
333.09735	0.5
351.10989	0.3
437.10800	0.3
455.11902	4.8
455.23166	1.1
455.35516	0.7
456.11716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.35210	0.3
55.01879	0.4
61.02932	4.0
65.03934	1.4
67.05505	1.1
68.99789	5.0
69.03429	1.3
70.85830	0.8
70.86167	0.3
70.89674	0.3
77.03939	0.6
79.05486	0.6
81.03424	1.4
81.07067	0.7
85.02892	0.9
87.00836	1.6
89.03930	0.8
91.05484	22.5
92.05865	0.3
93.07041	0.4
95.04980	0.8
97.02903	0.4
99.04452	0.4
103.05450	0.6
105.03377	0.8
105.07037	1.1
107.05000	0.5
107.08605	0.5
109.02878	0.9
109.06509	0.3
109.10181	0.7
118.04131	0.3
119.04945	33.2
120.05253	0.5
121.10133	0.5
123.04381	0.5
127.03918	2.0
129.01848	5.2
129.03369	0.5
131.04955	0.4
132.02090	1.3
133.02844	0.4
133.10159	0.4
135.04408	0.5
136.05173	0.6
145.02835	0.9
145.10110	0.5
147.02975	1.3
147.04411	27.7
148.04778	0.5
149.02316	1.2
151.03915	0.3
157.03967	2.2
161.06001	0.4
164.04691	1.0
165.09209	0.4
167.07050	1.4
169.06552	0.3
175.03909	49.9
176.04340	1.1
177.05513	0.7
179.07036	2.0
189.05418	0.5
191.03342	0.4
192.04228	0.5
207.06529	100.0
208.06880	2.5
221.08011	0.3
231.06602	0.3
245.07936	0.5
249.07561	1.2
250.08322	0.5
263.09149	1.0
274.92899	0.3
287.09045	0.5
291.08588	1.6
315.08655	1.3
329.84818	0.3
333.09799	0.4
455.11786	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	455.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
61.02931	3.5
65.03938	1.8
66.98759	0.3
67.05504	1.2
68.99794	5.0
69.03432	2.3
70.86258	0.3
70.86570	0.4
77.03931	0.9
79.05491	0.7
81.03422	1.9
81.07052	1.1
81.71239	0.3
85.02905	1.0
87.00843	1.5
89.03920	0.9
91.05486	28.8
92.39658	0.3
95.04976	1.0
95.08580	0.7
97.02910	0.8
97.10193	0.3
97.24761	0.3
97.69718	0.3
98.20865	0.3
98.50385	0.3
99.04474	0.3
103.05464	1.1
104.02570	0.3
105.03393	1.0
105.07043	1.2
105.88818	0.3
107.04955	0.7
107.08598	0.9
109.02882	2.9
109.10161	0.8
113.40082	0.3
115.05460	0.5
117.03423	0.8
119.04951	37.1
119.08620	0.6
120.05293	0.8
121.02849	0.3
121.10166	0.5
123.04452	0.6
125.09585	0.3
127.03956	1.9
129.01857	4.6
129.03378	0.8
129.06987	0.3
131.04947	0.5
132.02065	1.5
133.02861	0.4
133.06487	0.6
135.04381	0.4
136.05214	0.5
145.02841	1.8
145.10147	0.4
146.03561	0.3
147.02980	1.8
147.04417	33.2
148.04762	0.4
149.02347	1.2
151.03998	0.4
157.02748	0.4
157.03958	2.7
161.05971	0.8
162.03133	0.3
164.04684	1.3
167.07060	2.0
169.06427	0.6
175.03918	54.7
176.04324	0.9
177.05498	1.7
179.03368	0.6
179.07074	2.9
183.07986	0.4
187.07472	0.3
189.05493	0.8
191.07037	0.8
192.04128	0.3
193.08607	0.4
194.34578	0.3
203.44286	0.3
207.06540	100.0
208.06847	1.6
215.07036	0.5
217.08578	0.3
219.06543	1.0
221.08104	1.0
231.06651	1.4
235.06061	0.3
245.08171	1.6
249.07628	0.9
259.06030	0.3
261.07550	0.7
263.09158	3.3
273.04605	0.3
273.07562	1.0
287.09192	1.1
291.08655	5.1
315.08533	2.6
333.09732	0.9
437.10336	0.7
455.11844	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	455.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69872	0.1
56.96556	0.5
57.27360	0.1
60.96613	0.2
71.47420	0.1
71.50919	0.3
73.53116	0.1
84.96027	0.3
94.92992	0.6
98.91940	0.9
98.97591	0.4
110.97569	0.2
112.89606	100.0
114.89323	2.4
116.89114	0.3
116.98579	0.3
128.98628	0.3
134.99652	0.2
143.00166	0.3
146.99681	0.2
150.92004	0.2
158.99605	0.2
161.01228	0.3
172.90833	0.2
177.00682	0.3
190.91887	0.7
202.91881	0.3
208.92941	0.2
212.85135	0.4
219.01756	0.3
220.93242	0.2
222.98744	0.2
232.92879	0.6
237.02803	0.5
244.92848	0.2
251.04446	0.5
269.05374	1.0
274.94046	0.5
287.06451	0.3
292.95093	0.6
293.05521	0.2
322.96970	0.2
381.07907	1.2
394.82388	0.4
395.08569	0.6
413.09552	1.0
455.11603	30.0
455.97504	0.2
456.12091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
54.59071	0.9
55.05503	3.7
56.96571	1.3
57.03435	3.1
57.06819	1.7
57.07080	19.8
62.06094	21.8
63.96383	1.1
67.05507	7.2
69.07082	5.6
71.08636	12.1
75.15631	1.0
75.50981	1.1
76.79915	1.1
79.05498	2.3
81.03425	1.4
81.07062	8.0
83.08620	4.6
85.02862	1.0
85.10184	6.5
89.06043	1.4
91.05497	2.2
93.07056	2.9
95.08599	10.1
97.10181	1.5
98.98475	4.4
100.38140	1.0
105.07067	2.3
107.08593	1.2
109.10166	4.0
119.08602	1.1
121.10195	1.2
123.11744	2.4
137.37415	1.0
155.01169	5.5
181.06490	1.2
198.05247	1.5
225.09119	1.3
256.26343	2.2
269.66925	1.2
282.27951	12.2
313.27371	100.0
317.17963	1.6
349.16013	1.8
393.24130	5.5
424.58765	1.1
436.28018	1.7
436.33197	1.4
454.33948	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	453.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.6
57.03448	0.4
59.04859	3.0
67.42670	0.3
69.03420	0.7
69.52127	1.3
69.52543	1.1
71.04995	0.4
77.92554	0.3
83.04970	0.3
84.08144	1.2
84.48628	0.3
85.02891	1.3
85.05151	3.5
85.80260	0.3
86.03566	1.9
86.05922	2.2
87.06731	0.8
89.03500	0.5
89.06027	0.9
97.02909	1.1
98.20721	0.5
98.97624	0.6
113.04615	29.6
114.05449	1.7
116.98618	0.9
119.04959	0.9
123.04405	0.7
127.03934	0.6
134.99675	0.5
135.04387	0.9
138.05479	0.9
139.03935	0.6
139.92332	0.3
141.02992	0.4
141.04076	8.4
142.04861	100.0
143.05649	11.2
143.72754	0.3
144.04047	0.4
145.02856	0.5
145.04997	0.4
147.04413	0.7
152.07086	0.5
157.03598	0.7
159.05122	2.0
159.13524	0.3
161.01146	0.9
163.03926	2.0
169.07213	0.4
175.04631	57.0
176.04924	0.5
177.05544	0.4
185.06696	0.6
202.05269	0.4
227.02107	0.4
234.98894	0.4
237.00626	0.5
237.02754	0.7
245.12958	0.4
255.01678	0.8
261.08896	0.3
273.02805	1.3
273.12283	0.4
291.13351	1.3
411.06104	0.6
429.06995	0.5
453.14517	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	453.139
Annotation	Coatline B
Peak:m/z	Relative Intensity
53.03941	0.6
55.01879	1.3
56.78283	0.5
56.96556	1.9
57.03436	1.2
60.04533	0.5
60.83609	0.5
61.02922	0.6
65.03927	1.2
65.15102	0.4
67.05518	1.1
68.99780	1.1
69.03426	1.8
69.07067	0.7
69.72012	2.9
70.06579	2.0
72.08161	1.1
73.02916	1.0
77.03918	0.7
79.05497	1.4
81.03413	1.7
83.04962	0.5
84.04485	1.0
84.08158	1.3
85.02905	4.2
86.09708	1.2
89.03920	0.8
91.05480	1.9
91.73151	0.5
93.07059	0.6
95.04967	3.2
97.02893	1.5
97.06531	0.7
98.20747	0.7
103.03938	2.3
105.03377	1.7
105.07021	0.7
107.04948	7.5
109.02881	1.5
111.04443	2.7
114.09199	0.8
115.05447	0.6
116.98621	0.5
117.03381	1.1
119.04935	1.9
121.06505	1.2
123.04433	100.0
124.04784	0.9
124.07639	0.5
125.06033	0.7
127.03936	2.4
129.06984	0.7
131.04932	2.3
132.10205	2.2
133.02882	1.2
133.06451	0.6
135.04420	42.8
136.04742	0.7
136.07593	1.0
137.02356	1.8
137.05983	1.0
139.03905	6.4
143.05688	1.3
145.02852	0.8
145.06563	0.8
147.04417	6.2
149.02374	1.0
149.05965	1.6
151.03877	1.3
153.05504	3.4
154.04990	1.6
155.05258	0.9
159.04385	2.4
160.05161	0.9
161.02441	1.2
161.05974	1.6
163.03915	48.1
164.04213	1.1
164.07115	0.7
165.05490	1.8
165.06827	0.6
167.03464	2.6
167.04704	0.6
167.08530	1.1
173.05965	1.5
175.03877	3.4
176.04764	0.7
177.05467	5.7
179.03444	4.5
181.04979	0.9
181.06412	0.7
187.03935	1.6
189.05458	2.4
191.03442	1.3
193.04951	1.7
197.01190	2.0
201.05461	2.5
203.03337	2.7
205.04860	1.2
205.06535	0.7
207.06398	1.0
209.01195	0.6
211.07614	0.7
215.03535	0.6
217.04994	2.2
219.06570	1.9
223.07573	1.7
226.06331	0.6
229.04980	0.9
233.04485	0.7
237.00758	1.9
237.02895	0.7
237.07539	0.7
239.06865	0.9
241.08551	1.1
245.04469	2.4
247.06030	3.1
251.07001	1.3
255.01775	1.3
257.08084	1.5
259.06036	1.6
259.10422	0.6
267.06516	1.6
269.08109	4.9
273.12311	1.5
279.06674	1.3
283.09796	0.7
285.07611	1.4
287.09174	1.8
291.08545	1.9
291.13290	2.0
291.19241	3.1
297.07596	13.3
301.03488	0.9
301.06717	0.6
303.08627	0.7
310.04095	0.7
311.09195	2.1
315.08603	6.4
321.07629	1.5
333.09872	3.3
339.08710	3.7
351.08698	2.4
357.09653	1.6
363.08722	1.3
369.09607	2.5
373.90567	0.6
381.09671	2.9
387.10532	0.8
399.10837	1.3
435.17813	0.7
442.63373	0.6
453.13324	2.8
453.19284	1.1
453.25058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.2
55.05497	26.8
56.96558	39.6
57.03418	19.5
57.07092	13.5
59.89221	10.2
61.02916	22.7
67.05510	84.9
68.05843	15.0
69.03434	13.5
69.07058	61.5
71.04979	12.4
71.60952	16.1
73.02921	16.1
79.05483	39.8
81.07055	100.0
83.08607	35.3
85.02911	22.6
85.06531	13.3
91.03963	10.3
91.05517	22.5
93.07028	37.6
95.08616	44.2
96.08974	9.0
97.02885	21.9
97.06552	12.9
97.10181	22.6
105.07011	16.7
107.08591	30.1
109.06427	11.6
109.10173	45.3
110.10513	10.3
111.08109	12.3
119.08570	20.2
121.10162	17.8
123.08028	8.9
123.11694	19.3
125.09636	12.1
131.08601	9.4
133.10139	16.6
135.11703	16.5
147.11659	11.5
149.13242	17.5
173.11772	22.1
205.19475	12.8
214.04811	10.9
217.07442	14.4
223.20708	10.8
229.07401	24.2
229.14346	13.4
247.08435	16.3
285.10297	10.7
287.22156	30.7
316.61963	19.8
325.23804	69.1
343.24765	35.0
365.65475	24.9
368.18271	17.8
399.27237	12.4
417.23434	14.1
417.28439	85.5
452.27094	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	452.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40942	1.0
53.03937	3.7
55.01859	1.6
55.05510	1.0
59.04985	1.2
61.02900	1.0
67.05495	2.1
68.99788	1.0
69.03416	3.3
69.07042	2.2
70.06590	2.0
71.04992	10.6
71.36510	2.1
72.08138	0.9
73.02909	0.9
79.05054	1.3
79.05492	17.0
81.03398	2.9
81.07057	100.0
82.07368	1.6
83.04977	7.8
84.08099	1.5
85.02901	8.6
87.00815	3.5
87.04504	1.1
91.05492	0.9
93.07039	3.1
95.04971	1.4
95.08598	1.7
97.02893	2.9
97.06534	1.0
99.04440	1.3
105.01858	2.7
105.07014	1.9
107.08603	3.3
109.02874	2.3
109.10164	3.7
113.06001	0.9
121.10112	2.9
123.11718	5.4
124.07581	1.0
126.47182	0.8
127.03912	3.7
135.04422	1.3
136.04752	1.0
136.69614	0.9
138.05505	1.1
139.11130	2.1
145.04950	1.9
149.09665	1.4
151.11200	6.1
153.01796	2.5
154.02170	2.2
155.02350	1.2
157.12204	1.8
163.03827	1.7
167.07047	1.1
169.12244	88.4
170.12660	1.3
187.13312	6.8
189.09058	0.9
229.63698	0.8
231.05017	1.1
233.69640	0.8
287.05511	12.1
288.05841	26.3
289.06064	20.6
290.06323	38.3
291.06421	1.0
296.24619	1.0
309.12225	1.0
320.11221	0.9
409.10767	1.1
450.95209	1.0
453.10223	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92937	3.6
53.03944	12.7
55.01880	21.0
55.05513	36.5
57.03435	15.4
57.07061	11.1
61.02912	13.8
65.03950	6.9
67.05505	57.0
68.99780	8.5
69.03087	6.2
69.03431	72.0
69.07067	33.6
70.06593	8.3
70.86320	11.5
71.01383	5.5
71.05001	45.1
73.02914	13.4
79.05505	39.1
81.03420	48.0
81.07059	79.0
83.04971	15.2
83.08614	12.6
84.08126	4.3
85.02908	85.2
87.00831	49.8
87.04482	5.9
91.05485	56.2
93.07043	66.0
94.59975	4.2
94.89854	4.2
95.04963	30.1
95.08609	92.3
97.02892	38.8
97.06548	31.8
97.10152	9.8
98.97536	4.1
99.04449	15.9
103.03946	15.7
103.05449	6.2
105.01855	13.2
105.07031	100.0
107.04958	12.0
107.08585	63.1
109.02863	23.8
109.06524	13.6
109.10171	59.8
111.04440	17.9
111.08088	5.6
111.11661	4.5
115.03944	17.9
115.05456	8.5
116.98613	4.0
117.07018	28.2
119.08585	88.8
121.06521	27.2
121.10149	49.9
123.04406	13.7
123.08088	16.3
123.11694	25.1
125.05952	5.9
125.09666	7.7
127.03909	39.1
127.11197	10.1
128.06219	9.5
129.01814	7.9
129.06993	20.8
130.07828	7.8
131.08572	52.7
133.06493	7.5
133.10124	60.7
135.04413	7.7
135.08025	13.0
135.11688	24.4
137.05989	23.9
137.09595	7.3
137.13240	6.4
139.11151	4.1
141.06940	5.5
142.07785	13.5
143.05629	5.7
143.08582	45.8
144.09283	11.0
145.02855	5.1
145.04950	12.8
145.06476	11.5
145.09058	7.4
145.10133	87.3
147.02831	6.1
147.08063	12.8
147.11708	58.6
149.09583	10.1
149.13260	10.4
151.03851	4.6
151.11185	6.5
153.05490	6.7
153.06995	7.4
155.08537	20.7
156.09319	12.5
157.10133	53.0
158.10846	7.2
159.02901	20.1
159.08049	11.3
159.11703	81.0
161.09596	16.3
161.13326	23.2
163.03888	8.3
163.07626	9.7
163.11229	10.5
165.07030	6.6
166.07741	6.4
167.07124	5.8
167.08615	7.3
168.09367	4.4
169.10135	26.7
170.10876	6.8
171.08073	13.1
171.11687	42.8
172.12494	4.8
173.09612	14.5
173.13257	28.4
175.11205	14.0
175.14789	16.8
176.13583	4.2
177.09117	6.3
177.16266	5.0
178.07726	5.0
179.08655	8.6
181.10095	11.1
182.10777	5.0
183.11674	25.0
185.09698	11.1
185.13293	17.6
187.11229	12.8
187.14766	36.7
189.04059	8.3
189.09055	8.8
189.12793	12.2
189.16376	52.8
191.10663	7.2
191.14246	7.7
191.17944	5.1
195.11691	15.4
197.13327	20.3
199.11180	9.2
199.14867	16.2
201.03899	7.9
201.12756	11.6
201.16376	53.0
203.10623	5.3
203.17961	27.6
207.11696	12.3
209.13194	13.1
211.11166	5.1
213.12836	9.1
213.16399	20.4
215.06970	10.1
215.14333	13.9
215.17903	22.5
219.17520	6.7
221.13438	7.3
223.14799	10.8
224.15344	4.8
225.12852	19.4
225.16370	7.7
227.14293	8.1
227.17957	19.0
229.19577	5.6
231.17398	10.5
239.18028	7.5
241.15898	12.8
243.13831	11.8
243.17517	11.7
245.19098	23.0
251.14311	5.2
255.13660	5.7
257.19034	8.2
259.09714	20.1
261.18320	5.8
265.19644	5.3
269.18951	7.1
273.18356	5.7
275.20087	6.2
283.20358	6.9
287.20221	6.2
289.06058	5.8
293.18964	15.0
311.20020	37.0
329.21112	31.9
347.14508	4.5
347.22192	12.5
365.23257	6.6
389.23157	5.9
407.24261	11.4
415.21176	13.1
433.22165	41.0
451.23306	89.1
451.28879	5.7
452.23627	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	451.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05510	0.8
56.96553	0.5
57.03424	1.1
61.02897	0.6
65.03934	0.5
67.05493	1.4
68.99802	0.6
69.03423	2.9
69.07047	1.3
70.06606	1.0
71.05001	0.9
71.60008	0.9
72.08141	0.6
75.04477	0.8
79.05488	2.5
80.05002	0.7
81.03408	1.8
81.07057	2.4
83.04972	0.8
83.08624	0.5
85.02894	3.8
85.06522	0.6
86.09681	0.8
91.03951	0.9
91.05464	4.8
93.07026	2.2
94.06561	1.3
95.04967	1.5
96.08134	1.2
97.02891	1.6
97.06513	1.9
99.04447	1.2
105.07019	2.0
106.06558	1.7
107.08600	1.0
108.08115	0.8
109.02885	1.5
109.06528	0.6
109.10149	1.0
116.04987	0.6
117.05757	0.6
117.07061	0.5
118.06461	2.4
119.08566	0.9
120.08108	12.7
120.08939	1.1
121.10137	1.0
122.09687	0.7
123.04375	1.1
123.11701	0.5
124.07588	7.2
127.03926	1.4
133.10103	0.5
134.06007	5.1
135.04446	3.2
135.11723	0.5
136.07581	4.7
137.02319	1.1
137.05971	8.1
138.05504	1.3
138.09135	1.9
143.05626	2.0
145.02798	0.6
145.04921	1.1
146.06062	2.2
147.04427	0.8
147.06787	2.9
147.11681	0.6
148.07562	11.3
150.09178	1.0
151.03951	0.5
152.07079	1.8
153.01822	5.3
154.02168	2.6
155.02303	1.6
159.11707	0.9
161.02432	0.7
162.09094	0.6
163.03915	2.6
163.07597	0.5
164.07063	59.2
165.07433	1.8
166.08632	2.9
167.07030	1.4
171.02887	0.7
177.05441	0.7
179.06956	0.8
181.05014	0.9
184.26320	0.5
195.02855	0.8
200.10681	0.8
214.11038	0.8
215.07091	1.1
215.15506	1.3
216.10216	2.0
226.12209	0.6
229.13245	1.1
233.98145	0.6
242.10378	0.6
243.14919	6.2
245.16533	3.3
253.13332	1.2
254.11916	1.0
259.09692	2.1
271.05582	0.6
271.14484	18.9
272.14697	0.7
287.05493	38.1
288.05835	38.5
289.06058	76.1
289.15448	100.0
290.06378	4.3
290.15720	3.6
303.04935	0.8
304.05280	1.1
305.05533	2.3
319.06973	1.6
451.11276	26.5
451.20657	1.2
452.11288	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1237
Annotation	2-[hydroperoxy-(4-glucosyl-hydroxyphenyl)methyl]-6-hydroxy-1-benzofuran-3-one
Peak:m/z	Relative Intensity
53.03935	1.3
55.01871	4.1
55.05490	1.1
56.96566	1.1
57.03430	3.0
59.74604	0.9
61.02917	1.2
65.03928	2.8
67.05494	1.9
68.99780	7.0
69.03423	3.6
69.07055	0.9
70.06593	5.9
70.07391	0.8
71.04997	6.7
71.07189	1.9
72.08161	4.3
72.08498	0.8
79.05456	0.9
81.03401	1.8
81.07068	1.5
83.04996	1.3
84.08116	2.1
85.02901	13.0
86.09711	4.4
87.06728	1.9
91.05486	4.6
93.03438	1.3
93.07027	1.6
94.20027	0.8
95.04967	4.8
97.02896	3.5
97.06532	1.2
99.04404	0.9
103.03917	1.3
105.07018	2.5
107.04963	6.1
109.02886	2.0
111.04465	4.3
119.04940	9.4
119.08601	1.0
120.08066	2.2
121.02866	100.0
121.06501	1.7
123.04434	5.8
125.02303	1.1
127.03922	2.0
128.38264	0.8
129.05499	1.9
129.07024	1.2
129.10210	1.3
131.04953	1.2
133.06497	1.2
135.04413	4.2
136.07561	3.2
137.05975	17.8
138.06445	1.0
139.03877	6.4
143.05644	39.5
145.02850	3.6
145.06474	2.6
147.04414	16.1
149.05997	1.9
151.03906	6.2
153.01852	8.0
157.06458	1.7
161.05992	1.4
163.02554	1.3
163.03899	25.6
163.05214	1.3
165.01808	7.5
165.05472	1.8
167.07060	2.7
169.04965	1.5
173.05997	2.2
175.03932	4.5
175.07536	3.1
177.01845	4.9
177.05428	3.5
179.03432	1.1
179.07010	1.2
181.05003	4.9
183.02904	5.7
185.05980	1.4
187.03914	1.8
189.01996	1.0
189.05560	1.9
191.03387	5.8
191.06958	1.8
193.05023	5.5
195.02895	14.8
195.08023	1.5
197.05945	1.8
201.05518	4.0
203.03398	11.4
205.04979	13.2
207.02882	1.2
207.06561	2.7
209.04434	1.5
213.05421	2.7
215.03366	2.2
215.06955	2.3
217.04945	4.7
219.02895	14.7
219.06479	2.5
221.04420	5.9
229.04953	5.1
231.02896	3.3
231.06505	3.3
233.04475	1.7
235.06035	3.1
239.07050	1.5
241.04906	4.0
243.02936	1.2
247.06026	2.6
249.03946	4.3
249.07570	1.7
253.07010	1.1
257.04495	1.3
259.06058	1.9
259.09732	2.6
261.03970	6.2
267.08627	1.6
269.04489	2.3
279.04568	2.0
279.06903	1.2
283.05991	6.9
284.06787	1.1
285.09631	2.1
287.05432	2.0
289.07037	1.9
289.11902	1.1
289.15271	1.1
292.07333	1.4
293.08148	2.7
295.05960	7.1
297.06113	7.9
299.05463	1.2
301.06308	1.9
305.07999	1.2
307.06067	8.4
307.09436	1.6
308.06836	8.8
309.07489	2.2
313.07053	11.5
317.08005	2.0
318.08755	1.2
321.07532	25.3
321.11194	1.5
322.08289	6.2
329.07202	1.0
331.07510	2.7
333.07538	9.0
334.08066	1.5
335.09219	6.0
337.06787	4.1
346.08350	1.2
347.09119	20.1
347.15195	1.8
349.07022	15.1
349.10751	3.2
350.07501	1.1
351.08636	6.6
355.07849	3.6
359.09128	5.7
361.06992	5.3
363.08701	3.0
367.08218	6.0
375.04138	1.3
375.08652	21.4
377.10266	3.7
379.07892	3.5
385.07574	1.2
387.08737	9.8
391.07870	2.2
393.20740	3.1
397.09109	3.1
403.08124	21.9
404.08316	1.0
405.09683	11.3
415.08469	4.0
423.10666	2.1
433.09180	42.7
434.09464	2.5
451.10229	89.2
451.21146	7.8
452.10498	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	451.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22186	0.8
52.36839	0.9
67.37669	0.8
70.78799	1.2
70.79121	1.8
74.99286	0.8
75.16695	0.8
85.02903	2.1
110.41192	1.0
138.05537	1.5
143.05643	2.7
271.16623	0.9
289.13754	1.5
451.04855	100.0
451.42432	1.0
452.05154	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1237
Annotation	Fustin 3-glucoside
Peak:m/z	Relative Intensity
53.03942	1.6
54.14559	1.2
55.01866	5.2
56.96545	2.6
57.03429	4.8
59.05014	1.4
61.02927	45.9
65.03939	6.4
67.05502	2.9
68.70387	1.2
68.99791	4.5
69.03432	15.3
70.06593	2.2
70.53780	3.7
70.54128	1.4
71.01360	1.2
71.04994	1.3
73.02919	16.5
78.50824	1.1
81.03423	7.2
83.04982	2.1
84.08145	1.9
85.02906	53.0
87.04472	2.2
87.18093	1.4
89.03947	1.2
91.03404	2.3
91.03958	27.4
91.05471	4.3
93.03400	4.1
93.07037	1.9
95.04958	3.8
97.02897	28.3
98.20858	1.8
99.04453	3.8
101.02349	2.0
103.03943	5.2
103.05499	1.6
107.04934	4.4
109.02879	9.0
111.00824	1.7
111.04444	30.2
112.05109	1.6
115.03917	2.1
117.03384	1.8
117.06960	1.6
119.04955	2.5
120.99506	1.9
121.02870	1.7
121.06508	1.6
122.34312	1.4
123.04428	56.9
127.03915	20.6
131.04926	2.1
135.04425	51.1
137.02364	13.8
137.06006	1.8
138.02211	3.2
139.03902	100.0
143.05672	8.1
144.05972	1.4
145.04953	8.7
147.04411	21.0
149.02356	2.8
149.05962	10.1
151.03905	35.0
151.07553	8.3
152.07852	4.2
155.03401	7.1
159.04414	1.9
161.05980	3.8
163.03908	40.1
165.05569	3.0
167.03456	2.8
168.04207	2.0
169.04970	3.3
169.06386	1.4
170.05742	26.2
171.04474	1.3
173.02332	1.9
173.06000	2.8
175.03908	18.2
177.05458	17.6
179.03415	4.6
181.04970	10.3
185.04466	1.5
187.03958	4.8
189.05423	5.2
191.03374	3.2
193.05008	9.2
194.77330	1.3
199.04079	1.6
201.05469	3.5
203.03363	3.6
205.04970	35.0
213.05527	2.1
215.07065	2.7
217.04939	11.2
219.06659	1.8
229.04938	3.6
231.06433	1.7
235.05942	4.8
239.07140	1.8
241.04900	2.1
243.06525	2.7
245.04616	1.5
247.06136	6.0
255.06528	2.5
259.06030	2.9
261.07596	7.6
265.07101	5.4
271.05966	11.0
273.07568	10.3
283.08292	18.4
285.07565	5.7
287.05649	6.2
288.41806	1.4
289.07071	79.1
290.07391	1.3
291.05969	1.7
295.06223	2.6
297.07574	3.0
301.07053	4.1
303.08551	4.8
313.07028	16.3
327.08694	5.0
327.12366	1.6
331.08096	4.6
337.07166	2.6
355.08102	12.3
367.07892	2.6
379.08026	2.5
397.09186	2.8
415.10046	1.6
451.12210	4.2
451.18103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
56.05022	1.1
56.96561	5.5
57.03421	1.1
69.03423	3.8
69.69860	5.6
70.06586	1.7
72.08160	1.9
81.03416	1.6
84.04508	1.2
84.08173	1.4
84.59885	1.0
85.02904	5.1
86.09746	1.0
89.03925	1.8
91.05482	1.6
97.02898	3.2
98.97582	5.2
100.40253	1.1
102.57711	1.0
110.07153	1.1
111.04394	1.0
112.51053	0.9
116.98616	4.7
117.03396	1.2
119.04957	3.6
127.03941	2.6
128.98643	1.0
131.00197	1.4
134.99658	2.6
135.04434	3.6
139.03955	1.6
143.00215	1.7
143.05650	12.1
144.06029	1.6
145.02870	1.8
147.04416	3.8
149.01334	1.0
149.47583	1.0
158.99600	1.1
161.01230	2.6
163.03899	10.0
164.04308	1.1
175.03888	4.7
177.04147	1.2
191.02209	1.5
199.04353	1.2
207.06549	7.9
209.03259	1.5
211.47435	1.0
227.04306	1.5
237.02917	2.3
249.26010	1.2
277.02115	1.0
280.07129	2.4
314.78125	1.0
353.07303	2.1
361.09531	1.3
370.10181	4.6
370.60327	1.9
391.02951	1.6
446.67706	1.4
451.04898	100.0
451.11676	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	450.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.05495	0.6
56.05039	0.5
56.12980	0.4
56.96559	0.8
57.03445	3.3
60.04527	0.5
61.02939	2.2
65.03939	0.5
67.05494	1.0
67.55074	0.3
69.03434	3.8
69.94921	2.1
70.06605	0.6
71.04989	2.2
71.08614	1.3
73.02898	1.2
73.04047	0.8
79.05501	0.4
81.03420	2.9
81.07050	1.4
83.04980	1.4
84.04491	0.4
85.02907	6.4
87.87582	0.3
88.03983	0.5
88.05114	1.9
91.03958	1.0
92.98624	0.4
95.04961	0.7
95.08601	0.9
97.02893	7.3
97.61138	0.4
98.97604	0.6
99.04447	0.8
99.08096	3.4
101.68296	0.4
107.04941	0.7
109.02872	2.3
111.04427	2.0
117.03399	0.4
117.09134	18.7
119.04913	0.5
120.01093	0.4
120.99542	2.4
121.02831	0.4
122.02726	0.5
123.04437	1.9
123.08070	1.2
124.07584	0.8
124.53857	0.4
127.01417	1.6
127.03913	2.7
131.04938	0.6
135.04433	2.0
137.02324	0.5
138.02199	6.3
139.03899	4.0
142.08632	0.4
143.05653	2.6
144.04048	100.0
145.02882	0.4
145.05034	2.2
145.08490	0.4
147.04401	1.0
151.03905	1.4
151.07549	17.5
155.03401	0.5
163.03912	3.5
167.07201	0.6
167.10696	0.9
170.05710	1.0
175.03894	1.0
177.05470	1.2
179.03540	0.4
181.05019	0.6
182.08110	0.5
205.05046	0.6
217.04796	0.6
240.37970	0.4
273.07675	0.6
283.08115	0.8
288.05927	0.6
288.09158	0.9
288.12338	0.6
289.07089	2.4
289.12549	0.4
306.09372	1.9
330.06824	0.5
450.11142	0.5
450.16367	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	450.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70827	1.1
53.03940	4.2
54.16566	1.0
55.01863	1.3
55.36356	1.2
56.05027	1.1
56.96547	2.1
57.03433	2.7
58.33160	1.0
58.99573	2.4
61.02914	1.7
62.06087	2.7
69.03430	7.7
69.07070	1.4
70.06584	3.8
70.93417	1.1
70.93747	2.5
71.05000	16.4
72.08162	2.1
72.08536	1.1
76.02213	3.0
78.49424	1.0
79.05490	1.6
81.03402	6.5
81.07061	3.3
82.06593	5.5
83.04983	4.2
84.04504	10.2
84.08137	1.1
85.02911	11.7
86.09721	1.6
86.99045	2.0
89.06032	100.0
91.05492	2.6
95.05012	1.4
95.08601	1.8
97.02889	39.1
98.09696	2.2
99.04442	5.7
99.08092	1.9
102.05505	1.2
103.03924	2.1
107.04942	2.3
109.02877	8.0
109.06474	1.4
110.06069	1.5
111.04428	4.1
112.03985	1.3
115.03943	1.4
116.01675	4.8
124.07628	6.1
127.03915	13.7
128.07077	3.3
130.08659	1.1
135.06529	17.3
137.02354	2.1
137.05983	2.2
138.09154	1.2
139.03833	1.7
141.95995	1.1
142.03175	1.4
143.05653	1.8
144.01126	2.1
145.04968	17.5
147.04456	2.2
149.02351	2.9
153.01797	2.4
155.03375	3.3
156.06532	8.1
156.08417	2.7
156.10214	1.5
157.06830	2.6
162.02187	5.9
167.03375	2.2
167.07034	2.2
171.08936	1.1
174.07648	2.3
174.09457	2.3
175.04005	1.1
177.05511	1.7
179.03381	7.2
179.04886	2.9
197.04433	1.5
197.08099	2.6
203.03387	1.6
215.07164	2.4
215.09116	2.3
221.04524	1.3
243.06543	1.5
243.08769	1.8
245.04413	7.0
247.06044	1.4
259.11111	19.4
261.09641	8.9
263.05609	5.4
265.03912	1.3
271.05823	2.7
279.10965	1.3
281.06491	2.3
287.05566	1.8
288.05878	3.4
289.07138	1.9
300.05804	2.8
318.39813	1.2
330.06845	2.5
375.15839	1.4
414.08997	1.4
450.19006	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	449.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
56.96577	0.2
57.03426	0.2
60.05628	0.3
64.97067	0.2
69.03421	0.4
69.10138	0.1
71.04949	0.2
71.05447	0.2
71.05784	0.3
81.03403	0.2
81.07021	0.2
81.35005	0.1
83.04955	0.1
83.61755	0.1
85.02902	0.9
86.09763	0.2
87.06709	3.4
89.06072	0.2
94.43748	0.1
97.02878	0.6
103.61964	0.1
103.76844	0.1
111.05540	0.2
113.04593	0.2
117.09118	0.8
122.06021	0.3
125.04575	0.2
126.02965	0.2
126.06599	0.2
127.03912	0.4
127.07506	0.1
132.04433	0.2
133.04713	0.2
134.05942	0.2
135.04459	0.2
137.05971	0.2
141.04073	0.7
141.05377	0.2
143.05630	100.0
144.06009	0.4
145.04948	0.3
145.48158	0.2
147.04442	0.2
161.69325	0.1
163.03902	0.4
171.65279	0.1
202.09557	0.2
223.02597	0.2
230.09222	0.2
259.11905	0.5
260.12158	1.0
287.05450	1.7
303.12796	0.4
305.10931	0.6
407.17648	0.4
449.19485	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	449.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.2
55.01858	0.2
55.05490	0.2
55.93508	0.4
56.96557	0.3
57.03424	0.3
60.05645	0.3
61.02897	0.2
64.22248	0.2
67.05498	0.2
69.03423	0.7
70.06588	0.2
71.05009	0.3
71.08608	0.3
71.16695	0.3
71.17022	0.3
72.08160	0.2
72.93776	0.2
74.06070	0.2
81.03403	0.6
83.04964	0.8
84.08126	0.4
84.49742	0.2
85.02908	1.3
86.09701	0.4
87.06709	3.4
87.91459	0.2
89.03919	0.3
91.05475	0.3
92.66666	0.2
95.01369	0.2
95.04964	0.3
96.36797	0.1
97.02905	0.8
99.04436	0.2
99.08096	0.4
105.07074	0.2
109.02886	0.4
111.04417	0.5
113.04610	0.2
113.82298	0.2
117.03384	0.2
117.09106	0.8
119.04934	0.2
121.02818	0.5
123.04430	0.5
125.04586	0.2
127.03915	0.6
128.93095	0.2
130.04967	0.2
130.06487	0.2
132.04471	0.2
135.04388	0.7
136.07544	0.2
137.02327	0.3
137.05925	0.3
141.04086	0.7
141.50528	0.2
142.04857	0.2
143.05634	100.0
144.06056	0.3
145.02832	0.4
147.04433	0.5
151.03857	0.2
163.03891	2.7
165.05420	0.2
167.07056	0.2
175.03877	0.2
189.05420	0.2
191.07025	0.2
197.06120	0.2
203.03371	0.3
205.96591	0.3
207.06477	0.4
211.07565	0.2
214.04509	0.2
223.97635	0.9
234.96759	0.2
235.97624	0.3
251.97096	0.6
252.97896	1.1
257.08109	0.7
259.05722	0.2
259.11932	0.4
260.12192	1.0
265.95154	0.3
269.08093	0.9
269.98245	0.6
275.97153	0.6
287.05487	5.7
287.09122	1.3
288.05789	0.3
296.37338	0.2
299.05466	1.1
300.06085	0.4
303.08856	0.3
303.12778	0.6
305.10843	0.2
311.05560	0.2
317.70175	0.2
329.06573	1.0
343.99643	0.4
353.06702	0.3
371.99408	0.2
390.00092	0.5
408.01254	0.2
413.08395	0.3
426.02432	2.5
427.02747	0.2
431.09448	0.3
449.09976	0.3
449.19705	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1443
Annotation	Haplanthin
Peak:m/z	Relative Intensity
53.03947	1.2
55.01862	2.2
55.05504	1.5
57.03423	2.5
61.02911	2.4
67.05491	2.2
68.99785	1.8
69.03078	0.7
69.03427	7.9
69.07056	1.5
71.04975	1.7
71.61018	1.0
73.02901	2.1
79.05479	2.0
81.03414	4.3
81.07063	3.0
83.01340	0.8
83.04969	1.3
84.04483	0.7
84.08126	1.2
85.02901	18.2
85.06514	0.7
86.09682	1.6
87.04451	1.1
91.03941	1.2
91.05481	4.2
93.07066	2.7
95.04939	1.5
95.08589	2.0
97.02888	6.1
97.06490	1.0
99.04457	1.8
105.01882	0.5
105.03406	0.6
105.07008	2.7
107.04958	6.0
107.08570	1.5
108.04453	1.6
108.05171	0.6
108.06331	0.6
109.02871	2.9
109.06501	0.9
109.10146	1.9
111.04456	0.9
117.03362	1.2
119.04930	5.5
119.08574	1.5
120.04456	2.4
120.08083	1.8
121.02842	1.0
121.06520	1.2
121.10134	1.5
122.06036	0.7
123.04431	1.9
124.07574	1.0
127.03931	4.7
128.06230	0.6
129.06982	0.7
131.04910	1.6
131.08546	0.8
133.02853	1.7
133.10143	1.3
134.03612	0.5
135.04395	10.3
135.11647	0.9
136.06372	1.0
136.07561	5.7
137.02338	2.7
137.05963	4.3
139.07614	0.6
143.05638	2.5
145.04933	2.4
145.10060	0.9
146.10490	0.7
147.04399	9.5
147.11740	1.0
148.05182	0.7
149.02306	0.9
149.05960	2.3
149.09669	0.8
150.03116	10.8
151.03902	0.7
151.07518	1.5
152.07076	0.9
153.01831	3.9
153.05484	1.9
153.06970	0.9
157.06488	0.7
159.11694	1.0
161.02460	0.8
161.05972	0.6
161.13277	0.6
163.03902	32.4
164.07051	4.5
165.05476	19.0
165.06845	0.8
167.06992	1.1
169.06451	0.6
171.02931	0.7
171.08076	1.7
177.05450	4.5
177.09056	0.9
178.02573	1.1
181.04968	1.2
181.06480	4.3
184.05161	0.8
185.05931	1.5
191.10643	0.6
193.04951	24.4
198.06689	1.0
199.07584	3.0
201.08904	0.7
207.06599	0.7
209.05981	4.1
213.05550	0.9
213.09254	0.7
226.06305	0.7
227.07036	8.5
234.12062	0.8
237.05391	1.7
241.08583	1.2
254.05788	0.6
255.06509	10.7
257.04449	1.4
259.09668	18.0
269.08063	2.7
269.12808	0.8
272.06699	2.8
287.05496	72.1
287.09106	100.0
288.05786	2.3
288.09314	1.5
288.12238	0.9
299.05533	1.8
303.04993	1.3
304.05157	1.2
305.05444	2.3
311.05289	0.8
317.06601	1.0
323.05591	0.8
329.06479	1.3
431.07297	3.8
449.10205	0.9
449.15765	0.7
468.33884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1084
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03952	1.6
55.01847	1.1
55.05499	2.5
56.60980	0.9
57.03439	12.1
61.02929	1.3
67.05502	1.5
68.99802	1.0
69.03415	4.3
69.07062	1.8
69.26987	10.8
71.04996	12.6
73.02923	5.9
75.04484	20.3
79.05499	1.2
81.03411	2.5
81.07047	2.4
83.04963	2.3
85.02908	62.2
87.04461	2.1
91.05486	2.6
93.07027	1.7
95.04975	1.6
95.08598	1.7
97.02874	3.6
98.20763	1.8
103.03905	1.7
105.07032	2.4
107.04955	4.2
107.08587	2.3
108.04472	3.1
108.69453	1.0
109.02892	3.4
109.10177	1.3
111.04440	2.7
119.04958	2.2
120.04443	6.2
121.02876	1.2
121.06535	1.1
127.03914	3.2
129.05466	5.8
133.10077	1.1
135.04433	4.3
136.07596	4.4
137.02371	4.5
137.05920	2.3
145.04993	1.6
146.06058	1.6
147.04436	4.1
147.06532	2.8
147.11673	1.4
149.05984	1.2
150.03143	4.3
151.03935	1.0
153.01833	8.1
161.02292	1.1
163.03920	12.8
164.07156	1.8
165.01848	1.3
165.05460	6.6
173.06024	1.6
177.05499	3.0
181.06432	2.4
185.40782	1.1
193.04985	9.1
201.05504	1.8
209.06032	2.0
223.71780	1.1
226.06332	1.3
227.07021	3.2
229.04945	4.7
255.06563	3.5
257.04343	2.7
259.09714	5.6
269.08139	1.0
270.11227	2.6
271.06006	1.0
286.10806	1.5
287.05511	67.5
287.09119	39.8
287.14011	2.2
288.05933	1.7
288.12357	1.4
299.05481	4.0
303.04996	100.0
304.05234	4.1
305.05594	2.4
325.07327	1.4
329.06506	2.2
413.08826	1.5
449.10681	2.0
449.16608	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
56.96564	0.9
57.03419	0.7
60.90893	0.6
61.02924	0.9
61.26762	0.7
68.99789	0.7
69.03429	5.2
70.99074	1.6
71.01354	1.4
71.04994	1.4
73.02912	1.3
80.77838	0.6
81.03416	7.1
83.04967	0.7
85.02898	17.2
91.03959	0.8
97.02886	37.0
99.04453	10.8
99.83015	0.6
103.03941	12.8
109.02878	5.7
111.04433	0.6
115.03930	0.8
121.02882	1.4
125.02345	100.0
126.02684	1.9
127.03911	22.1
143.03389	98.9
143.05627	4.8
144.03914	2.3
145.03902	1.0
145.04956	11.7
147.04337	0.8
151.15152	0.7
163.03900	1.4
163.06024	2.2
169.04979	1.1
181.74408	0.6
187.06004	2.3
237.02879	0.7
238.99294	0.7
256.19208	1.0
271.08252	1.8
287.05432	3.2
329.06219	1.0
380.39487	0.7
449.16077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03928	0.4
55.01866	0.4
57.03438	0.4
59.83963	0.2
61.02914	0.9
67.01833	0.3
68.99780	0.7
69.03429	2.1
71.04977	0.5
73.02880	0.2
75.22503	0.2
79.05482	0.4
81.03421	1.1
81.07029	0.3
84.08140	0.6
85.02900	5.5
86.09697	0.5
87.04453	0.2
92.23360	0.2
93.07040	0.3
95.04975	0.4
97.02879	2.5
98.21465	0.4
99.04452	0.4
107.04939	0.5
107.08610	0.3
109.02865	0.8
110.07193	0.3
111.00760	0.4
111.04472	0.3
121.02865	2.6
122.06179	0.2
122.09599	0.2
127.03917	1.2
127.68186	0.2
129.01773	0.2
129.06967	0.2
133.02852	0.3
135.04414	0.8
136.07561	0.9
137.02299	0.6
144.50533	0.2
145.04967	0.8
147.04404	0.7
153.01831	4.7
157.06522	0.3
161.02386	0.3
164.07079	0.8
165.01854	1.2
171.02892	0.4
177.05399	0.3
183.02940	0.8
185.05989	0.4
197.06068	0.3
213.05492	0.9
231.06479	0.4
241.04927	0.7
258.05222	0.8
259.05896	0.5
269.04440	0.4
269.13412	0.2
271.06009	0.3
272.06866	0.4
287.05493	100.0
288.05771	3.3
299.05521	0.8
329.06537	0.5
431.09644	0.4
449.15280	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
57.03431	0.0
67.01859	0.6
68.99774	0.4
69.03413	0.1
70.52513	0.1
70.52867	0.1
71.04990	0.1
78.25266	0.0
79.05481	0.1
81.03409	0.1
83.85024	0.0
84.10224	0.0
85.02894	0.2
89.03893	0.2
95.04974	0.0
97.02903	0.0
105.03382	0.0
107.04958	0.1
109.02895	0.1
111.00808	0.1
111.04433	0.1
115.05492	0.0
117.03373	0.2
119.04939	0.0
121.02856	0.2
125.02372	0.0
127.03901	0.0
129.01831	0.1
133.58563	0.0
135.04407	2.0
136.04709	0.0
136.07574	0.1
137.02335	0.6
139.05418	0.0
147.04428	0.1
153.01814	5.3
154.02199	0.1
157.06425	0.0
161.02327	0.6
164.07066	0.1
165.01822	0.1
171.02887	0.7
171.04382	0.1
179.03397	0.4
183.02885	0.1
185.05988	0.1
189.05467	0.0
199.02327	0.1
199.03891	0.1
201.05420	0.0
203.03432	0.1
203.07051	0.0
213.05424	0.1
217.04872	0.0
218.05804	0.1
219.06479	0.1
227.03398	0.0
231.06509	0.1
241.04895	0.6
242.05388	0.0
245.04384	0.1
258.05164	0.0
259.06052	0.1
263.05505	0.1
269.04404	0.5
270.04919	0.0
283.05896	0.1
286.04599	0.1
287.05466	100.0
288.05798	3.5
299.05511	0.6
300.06238	0.1
311.05481	0.1
313.07150	0.0
325.07047	0.1
329.06485	0.5
339.08664	0.1
353.06296	0.2
365.06500	0.1
367.07993	0.0
377.06549	0.1
383.07660	0.1
395.07419	0.1
413.08640	0.1
431.09729	0.1
449.10599	0.4
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	Chrysanthemin
Peak:m/z	Relative Intensity
51.90114	0.1
55.05497	0.2
57.03446	0.2
61.02920	0.2
67.01857	0.5
67.05505	0.2
68.99791	0.4
69.03400	0.3
69.07056	0.2
70.06590	0.2
71.04995	0.7
71.60525	0.2
77.96473	0.1
79.05473	0.2
81.03392	0.3
81.07072	0.3
84.08116	0.1
85.02902	1.0
86.09682	0.5
89.03922	0.2
91.05481	0.3
93.07026	0.2
95.08576	0.2
97.02892	0.2
104.77752	0.1
105.07058	0.1
107.04954	0.2
107.08599	0.1
109.02863	0.2
110.07107	0.1
117.03410	0.1
117.40134	0.1
117.67567	0.1
119.04926	0.8
119.08558	0.2
120.08109	0.2
121.02901	0.6
123.00785	0.9
123.04411	0.2
127.03894	0.2
129.05408	0.1
133.10130	0.2
135.04440	1.1
136.07581	0.5
137.02312	0.5
137.05933	0.2
141.01845	0.2
143.05658	0.2
143.08508	0.1
147.04417	0.1
151.03783	0.1
153.01834	3.9
157.06554	0.1
161.02373	0.4
164.07040	0.4
165.01830	0.2
167.06967	0.1
169.01315	0.6
171.02898	0.5
175.03874	0.1
179.03452	0.3
203.03261	0.1
213.05403	0.3
229.05049	0.2
241.05026	0.6
245.04420	0.3
257.04572	0.1
258.05148	0.1
259.05969	0.5
269.04407	0.8
271.05905	0.2
287.05496	100.0
288.05811	3.2
299.05701	0.3
303.04990	2.6
303.08368	0.2
449.10699	1.8
449.20340	0.1
450.38678	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
64.51972	0.1
67.01848	0.5
68.25002	0.1
68.99795	0.4
70.07437	0.7
78.31576	0.1
78.91605	0.1
98.21392	0.2
100.12431	0.1
117.03453	0.2
129.01842	0.2
135.04404	1.6
137.02345	0.4
153.01823	4.0
161.02309	0.5
167.47049	0.1
171.02873	0.5
179.03459	0.3
241.04973	0.6
245.04391	0.2
269.04416	0.5
284.24701	0.2
287.05481	100.0
288.05847	2.1
303.12967	0.2
449.10764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03429	0.3
62.84599	0.3
64.34548	0.3
67.01844	0.8
69.03407	0.6
69.53184	2.7
73.02895	1.4
85.02894	0.5
99.85447	0.3
109.02879	0.3
135.04417	1.9
136.07516	0.5
137.02356	0.5
153.00723	0.5
153.01842	6.1
161.02200	0.3
164.07118	0.4
171.02859	0.9
229.05011	0.4
241.04979	0.5
246.05078	0.3
269.04276	0.5
273.04089	0.5
274.04712	0.7
285.03824	0.4
287.05505	100.0
288.05823	2.7
302.04248	1.8
303.05032	0.6
317.06549	14.2
318.06982	0.5
449.10812	14.5
450.11087	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
64.35010	0.8
68.99808	1.1
70.76466	2.2
70.76793	0.8
79.01851	3.3
81.03411	1.2
85.02903	2.1
109.02885	1.6
122.90227	0.8
135.04424	1.6
136.05139	1.4
137.02341	15.9
137.05942	0.9
142.19418	0.8
163.03850	1.2
165.01802	2.9
173.77168	0.8
179.03380	0.9
183.02806	1.5
185.05933	1.0
195.02882	0.8
203.03532	1.0
205.05005	1.3
217.05043	4.4
227.06946	1.1
229.04933	4.1
243.02837	2.0
259.06000	3.9
261.04010	2.7
271.05991	6.2
272.06747	7.5
275.05716	1.1
284.06909	1.3
287.05530	14.8
299.05499	68.9
300.06271	30.2
301.06873	3.1
311.05490	14.3
311.08923	1.3
313.07068	19.1
323.05347	1.5
324.06284	3.0
325.07080	4.8
327.04938	2.6
329.06543	100.0
330.06970	3.4
339.05042	1.0
339.08618	20.3
341.06516	4.8
343.08203	1.9
353.06577	20.4
359.07571	8.9
365.06534	1.7
367.08118	6.0
371.07532	1.8
383.07526	15.7
395.07623	11.7
413.04501	0.7
413.08664	33.9
431.09750	46.8
432.10373	1.6
449.10788	74.8
450.11072	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	6-C-Galactosylluteolin
Peak:m/z	Relative Intensity
54.38326	0.8
57.03432	1.0
60.05213	0.7
68.99106	0.6
68.99786	1.3
70.46893	1.6
70.47286	1.5
71.96301	0.7
80.87368	0.7
85.02905	1.7
95.04983	0.8
103.03926	1.1
109.02879	1.5
121.02853	1.4
135.04407	2.5
137.02354	6.6
141.01804	1.5
145.67363	0.6
148.39580	0.7
149.02354	1.2
161.02348	3.2
163.03882	1.8
165.01833	14.0
167.03453	3.8
177.01823	1.0
179.03326	1.4
181.04976	0.8
183.02902	7.4
187.03990	0.9
191.03337	1.5
195.02849	1.9
215.03404	0.8
221.04446	1.2
243.02965	0.8
245.04590	1.1
255.06537	1.2
261.04138	0.7
271.06131	1.3
272.06747	1.0
283.06003	7.2
286.04596	3.3
287.05472	7.7
295.06058	1.8
297.07516	7.0
299.05499	100.0
300.06137	10.9
311.05466	10.4
311.09183	2.4
313.06979	2.2
321.07584	3.5
323.05426	1.4
324.06149	2.6
325.03391	2.1
325.06992	20.0
327.04959	1.0
329.06552	72.1
330.06973	1.1
337.06946	3.6
339.08563	12.6
349.07065	3.2
353.06546	40.4
354.07126	1.1
365.06564	10.9
366.06995	0.7
367.08139	3.6
377.06537	9.7
383.07611	24.0
395.07654	23.2
413.08673	24.8
431.09763	9.9
449.10718	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	448.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95552	0.5
56.05010	1.4
56.96537	0.6
57.05802	0.6
60.04525	5.2
60.05631	1.0
61.15712	0.5
69.03414	1.0
69.60982	4.1
70.06580	1.1
79.05511	0.8
81.50904	0.5
83.06086	2.1
84.04460	0.6
85.02879	0.7
88.03973	1.0
91.05466	1.1
99.05618	0.6
105.03410	2.9
105.05743	1.4
106.05031	7.6
106.06531	1.5
111.05565	7.0
113.07122	1.0
120.03635	1.1
120.04468	16.6
123.05541	1.1
126.06647	10.3
127.07413	0.9
132.04459	22.3
132.08131	0.9
133.05191	0.9
134.06010	10.8
137.04668	1.8
140.08165	1.3
142.04990	0.5
143.05641	1.1
145.03961	0.7
146.02295	1.1
147.04343	0.7
149.07089	0.8
151.06155	10.8
152.06982	0.8
155.42575	0.5
161.07124	0.6
168.08826	3.3
170.05544	0.6
170.08116	0.8
185.07121	0.9
202.09750	14.6
214.09761	0.8
216.11310	4.2
230.09256	10.4
231.12405	0.8
232.10822	5.5
242.09261	4.4
257.10373	5.1
259.11908	86.2
260.12247	1.9
277.13034	2.5
284.11346	4.6
301.14093	10.1
302.12473	36.3
303.12616	1.0
309.00156	0.7
319.15079	2.7
362.18240	1.2
406.17209	15.5
430.18213	1.6
431.16846	0.7
448.19400	100.0
449.19815	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05000	1.6
57.05809	0.5
60.05626	1.1
65.46785	0.4
67.05481	0.4
69.30892	4.1
70.06564	0.4
70.69229	0.4
75.76384	0.4
83.06089	1.6
85.02881	0.5
91.05418	0.6
95.06066	0.7
95.57367	0.3
97.07629	0.5
98.21584	0.7
104.04966	0.4
105.03372	1.9
105.05777	1.1
106.06522	1.1
111.04411	0.6
111.05557	6.4
113.07096	0.9
120.04457	14.4
120.08114	0.4
123.05541	0.8
126.06626	9.1
127.07448	0.6
130.02965	0.4
132.04451	20.1
132.08041	0.7
133.04816	0.4
134.06013	8.8
137.04654	1.4
140.08160	0.8
145.03978	0.6
146.02330	1.0
146.61671	0.3
151.05003	0.7
151.06145	8.4
158.06032	0.5
159.05609	0.8
161.07057	0.5
168.08827	3.0
170.05632	0.5
183.90836	0.4
185.07082	0.8
187.07378	0.6
202.09744	14.8
214.09706	0.4
216.11299	3.8
230.09224	12.2
231.12465	1.2
232.10788	4.3
242.09196	4.3
255.08659	0.6
257.10315	5.7
259.11887	93.6
260.12286	2.1
264.48636	0.4
276.14444	0.5
277.12979	2.5
284.11359	5.5
285.11618	0.4
287.05478	0.4
301.14032	9.9
302.12442	40.8
303.12897	1.0
319.15112	2.0
360.16788	0.5
362.18149	1.2
392.37457	0.4
406.17194	16.9
407.17255	0.7
413.15463	0.7
420.78357	0.4
430.18286	2.1
431.16846	1.2
448.19370	100.0
449.19849	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	448.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
56.96554	1.9
57.03416	1.6
65.03926	3.0
67.05488	3.5
69.03426	6.9
70.06567	1.0
70.70444	0.9
71.04998	5.0
71.58945	1.0
71.59319	1.4
72.08154	1.8
73.02916	1.2
79.05482	5.0
81.03394	4.6
81.05797	1.1
81.07029	1.1
83.04963	4.0
84.04483	3.8
85.02911	9.4
88.03954	1.4
89.03933	1.0
89.06030	10.5
92.04990	3.0
93.95990	1.1
95.04974	3.0
96.08122	3.5
97.02897	7.0
98.97562	1.1
99.04441	2.9
106.06553	31.1
108.08115	48.4
109.02850	3.6
109.05209	1.1
111.04427	2.6
111.05560	2.0
116.24210	1.0
116.98596	1.1
120.04444	2.2
121.02792	1.0
121.06476	1.3
123.04475	2.1
123.06801	5.8
124.07588	22.6
126.05500	2.7
126.06624	2.3
127.03902	4.7
129.05476	1.1
132.04451	6.4
134.06012	24.1
135.04355	1.3
136.07578	17.6
138.05487	1.6
139.03896	1.7
143.05643	12.1
145.04927	2.8
146.05974	1.1
147.04366	1.3
151.06154	3.2
152.07063	71.4
154.08627	1.7
157.05057	1.2
163.03938	6.3
170.08113	38.1
179.03133	1.0
202.09772	4.1
207.06526	1.3
230.09273	2.5
253.13843	1.0
257.10275	1.4
259.11893	23.9
284.11133	1.6
287.05386	1.4
290.08331	1.0
296.11340	1.5
301.13989	2.0
302.12408	10.2
406.17288	3.7
412.16183	2.1
426.02704	2.3
430.17053	21.4
431.17242	1.3
448.18356	100.0
449.18231	3.1
472.34283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.3
56.13100	0.3
56.96550	0.6
57.03421	0.4
60.04498	0.4
60.05637	0.5
62.06076	0.4
65.99482	0.3
69.03419	0.8
69.94358	0.3
70.06583	1.2
71.59344	0.4
72.17453	0.4
74.05659	0.8
74.06078	14.6
81.03418	0.8
83.04965	0.3
83.06094	0.4
84.04495	1.1
84.08141	0.5
85.02898	1.7
86.06075	0.5
87.06711	3.6
89.03930	0.4
91.05840	0.4
95.04947	0.8
95.97886	0.3
97.02885	1.1
98.06051	2.2
102.05534	1.6
106.05017	0.4
109.02854	1.7
110.89651	0.4
111.04462	0.4
111.05603	0.5
113.04584	0.4
116.07088	7.1
120.04442	1.5
120.06580	3.3
123.04460	0.6
126.05552	0.5
126.06634	1.0
127.03881	0.9
128.20059	0.5
132.04445	2.8
134.06007	0.8
135.04440	0.3
136.07637	0.3
137.04698	0.4
137.05980	0.4
141.04083	0.4
143.05637	100.0
144.06581	8.4
147.04401	1.2
149.02385	0.4
151.06152	1.0
152.05612	0.4
154.49095	0.3
157.05052	0.4
162.07628	0.8
163.03900	1.6
167.07045	0.4
168.08759	0.5
180.06535	0.3
202.09753	1.9
230.09273	1.4
237.02672	0.5
259.11874	8.6
259.14627	0.5
270.09695	3.6
277.12973	0.3
288.10867	2.9
301.14050	1.3
302.12476	4.5
306.11810	0.6
389.14825	0.4
406.17142	1.9
430.15741	1.0
448.19650	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	448.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33048	0.9
53.75588	1.0
56.05025	2.4
60.04527	40.2
60.05626	1.5
60.74654	1.0
62.06083	1.9
67.05535	1.1
69.03429	2.6
69.56192	2.6
69.56608	6.4
70.06591	2.4
79.05498	1.2
81.00419	1.0
81.03445	1.0
83.06097	1.7
84.08138	1.1
85.02901	4.3
88.03991	8.3
90.26467	1.0
93.30920	1.1
97.02875	2.7
98.20774	2.4
98.97574	1.3
105.03413	3.5
106.05031	59.8
111.05551	6.0
120.04477	13.8
123.05562	1.8
126.06631	10.7
127.03933	4.7
127.04845	0.9
132.04462	22.8
134.06003	9.6
137.04703	3.2
143.05627	9.8
145.04990	3.5
147.04433	2.0
151.06180	7.8
163.03915	1.0
168.08865	2.6
202.09741	14.5
216.11371	4.1
230.09256	9.5
232.10841	4.5
242.09337	3.6
257.10397	6.7
259.11905	74.0
277.12915	2.4
284.11404	3.1
287.05502	1.9
301.14041	9.8
302.12463	34.1
303.12762	1.3
319.15173	3.3
332.71347	1.1
406.17255	13.7
448.19406	100.0
449.19852	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12478	0.8
53.03942	0.9
55.01857	1.9
55.05495	3.7
56.05022	3.8
56.66928	0.8
56.96556	0.9
57.03186	1.0
57.03434	8.1
58.06594	0.9
58.99577	1.5
60.04510	3.1
62.06085	5.1
65.03919	2.0
67.05503	4.1
68.05035	0.8
68.05818	0.9
69.03403	4.3
70.03775	0.8
70.06577	5.5
71.00594	1.7
71.00944	1.1
71.04996	1.0
72.08147	2.2
73.02908	1.0
74.06077	1.3
75.81041	0.8
76.03989	2.4
79.05476	3.8
80.04998	6.0
81.03419	2.3
81.07043	1.5
82.02913	1.7
82.06565	3.0
82.99552	3.0
83.01308	0.8
83.04962	5.5
83.06096	4.8
84.04501	44.0
84.05275	1.7
84.08118	3.6
84.97475	2.6
85.01109	2.6
85.02891	8.3
85.06522	1.9
86.00650	1.1
86.09691	2.0
86.99049	1.0
91.05463	1.7
93.03375	2.1
93.05770	1.1
93.07029	1.3
94.06551	2.2
95.04961	6.2
96.04459	1.3
96.08086	1.1
97.01111	4.4
97.02867	3.4
99.02685	1.2
99.04447	1.5
99.05569	1.7
100.02184	2.4
102.05553	2.0
102.09144	2.3
104.04976	2.4
105.05764	3.2
106.06535	3.2
107.04932	1.3
107.06027	1.8
107.07320	2.8
108.04459	1.4
108.08111	1.8
109.02891	1.7
109.06495	1.6
109.07655	4.4
110.06039	3.0
110.07161	1.2
110.99032	1.2
111.02669	12.6
111.04413	5.6
112.02170	1.5
112.04787	2.2
113.00584	1.9
113.04189	0.8
116.01652	2.5
117.00048	3.1
117.06992	1.1
117.60191	0.9
119.04960	1.4
120.04456	0.9
120.08081	2.0
121.01052	1.2
121.02891	5.1
121.06487	1.1
122.06027	1.5
123.01392	1.1
123.02657	6.1
123.04415	2.8
124.02168	8.9
124.07578	3.6
125.00530	1.7
126.03739	1.5
126.05490	1.6
127.02137	1.7
127.03917	2.3
128.01633	2.0
128.92682	0.8
129.05482	2.5
129.06586	4.4
130.04973	6.6
133.05243	2.0
133.10104	0.8
135.04410	0.9
135.05447	0.8
135.08098	1.0
136.07547	0.9
137.05951	3.0
138.03717	25.0
138.05403	1.6
138.47108	0.8
138.98503	3.1
139.02112	6.1
139.03915	2.7
140.01640	1.5
140.04233	1.5
140.05254	9.9
140.06989	1.5
141.00058	5.6
141.03636	1.6
142.03212	3.2
143.01588	1.0
143.02657	1.1
143.05635	1.7
144.88872	0.9
144.99513	1.8
145.04988	1.0
145.06073	1.3
147.04420	1.6
147.07954	1.3
149.02293	0.9
149.05913	0.8
149.09616	1.0
150.03726	3.6
150.05447	1.4
151.02109	1.3
151.06204	0.9
152.01587	1.0
152.07025	1.0
153.06543	4.4
155.07005	1.2
155.08136	4.0
156.04713	3.8
157.03177	10.4
157.04968	1.6
158.05339	0.9
161.04788	0.9
161.05962	1.0
163.03870	2.2
165.06711	0.9
165.09183	1.7
166.03210	100.0
166.08690	1.4
167.01616	18.0
167.03192	1.2
167.03667	1.4
167.07022	1.8
167.08263	0.9
168.04779	22.5
171.04765	1.3
173.02669	6.1
175.03871	1.0
175.05832	0.9
177.05400	1.4
180.04784	0.9
181.06085	2.6
182.06332	3.7
182.07977	1.4
184.04276	10.6
193.04971	1.1
194.02690	12.9
195.01010	2.0
195.05986	1.2
195.07639	1.7
198.05823	11.4
199.02379	1.2
199.04079	11.5
199.07159	2.4
205.08479	1.1
211.07132	1.1
212.03775	6.5
212.12766	2.4
216.06837	9.3
222.05919	1.6
223.05336	26.4
223.07205	5.2
224.12857	1.3
227.05280	1.0
232.04312	1.1
237.08621	1.1
241.06406	5.4
245.05925	4.5
250.05348	10.5
250.14400	1.3
250.18167	1.1
251.09308	1.1
255.07822	0.9
257.07672	2.4
258.13214	1.9
259.11938	1.5
264.14392	1.5
268.10510	0.9
268.15417	3.9
268.18774	1.5
269.05884	97.5
270.06311	1.2
274.06534	1.1
278.04858	2.4
279.14050	0.9
282.07748	1.4
283.07455	17.4
286.04459	1.9
286.07224	2.8
286.16507	4.8
287.07129	12.6
295.07352	1.4
299.05432	10.6
301.08502	75.6
302.08719	1.5
329.06516	8.3
339.08432	1.2
341.08087	5.3
353.07104	3.3
355.09528	1.1
365.06470	1.2
373.10602	29.5
383.07510	2.8
395.07846	1.7
399.08594	1.6
413.08752	2.8
416.11029	2.0
430.20480	1.4
431.10156	3.9
448.13675	2.9
448.21884	5.3
449.10779	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1369
Annotation	Dichotomide VIII
Peak:m/z	Relative Intensity
53.03927	0.9
54.61665	0.4
55.01865	1.0
55.05522	1.0
57.03423	1.0
59.40813	0.5
61.02926	2.1
67.05491	2.1
68.99785	0.5
69.03426	3.6
69.07059	1.4
69.27341	4.3
70.06595	0.5
71.04993	0.6
73.02908	1.4
78.04710	4.0
79.05494	1.2
81.03415	2.3
81.07063	3.9
82.07390	0.7
83.04988	0.6
85.02908	5.5
88.18696	0.4
91.03950	1.9
91.05470	2.3
93.07054	1.7
95.04977	0.8
95.08595	1.2
97.02896	4.1
99.04423	0.5
101.02328	0.5
105.03395	3.6
105.07041	1.7
106.04189	4.1
106.07352	0.7
107.05019	0.5
107.08593	1.7
108.08894	0.6
109.02873	1.6
109.06515	0.5
109.10169	0.8
119.08593	1.7
121.10128	1.4
123.04446	2.3
123.08037	0.5
123.11727	0.9
124.05231	0.7
124.12082	0.6
125.05964	0.5
127.03913	1.5
130.04147	0.4
131.08595	0.4
133.02864	1.0
133.10121	0.9
134.03648	12.6
137.05959	0.7
141.06990	0.9
143.05643	0.7
147.04404	5.0
147.11662	1.5
148.12036	2.0
149.02339	2.2
151.07529	0.7
152.04698	9.2
153.05478	6.9
164.04727	2.6
165.12749	1.1
166.13104	1.0
169.06516	1.4
173.05962	1.6
177.05446	2.2
187.07600	1.4
193.12244	0.7
197.05997	5.4
198.06357	0.8
200.04694	0.5
201.05452	0.9
211.07549	0.9
215.07021	1.9
225.05464	6.3
226.06076	1.1
229.05173	0.5
230.14615	0.5
232.23065	0.4
239.06851	0.6
243.06502	2.6
253.04997	6.7
254.05661	2.1
255.06544	1.8
267.06525	1.9
268.07376	1.7
268.16028	0.6
269.04520	4.0
269.07913	3.6
270.05106	11.6
271.05972	40.4
272.06210	0.9
285.07581	28.6
285.16638	0.7
286.08276	100.0
286.16989	2.1
287.05499	8.9
287.08707	2.2
302.07474	0.6
406.46313	0.6
448.13257	6.0
448.19312	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30027	0.4
53.03946	0.6
55.01863	0.9
55.05500	1.0
56.96557	1.1
57.03419	1.1
57.07056	0.5
61.02924	2.3
65.03928	0.7
67.05502	2.0
68.05791	0.4
69.03427	3.3
69.07059	1.9
69.83960	2.7
70.06585	0.7
71.04990	0.8
73.02905	1.3
78.04701	3.2
78.25379	0.5
79.05482	1.6
81.03412	2.4
81.07044	4.3
82.03756	0.5
82.07394	0.9
83.04993	0.7
84.08127	0.8
85.02914	5.1
86.09724	0.7
91.03971	1.0
91.05447	2.1
93.07037	1.5
95.04975	1.4
95.08590	1.7
97.02880	2.6
97.06529	0.8
98.21497	0.5
98.97587	0.7
99.04448	1.1
100.76411	0.4
105.03386	3.2
105.07027	1.7
106.04176	3.8
106.07391	0.8
107.08566	1.3
109.02877	1.6
109.06514	0.7
109.10149	1.4
117.07017	0.7
119.04946	0.7
119.08566	1.3
121.02888	0.4
121.10149	0.9
123.04428	2.3
123.11719	1.0
124.05241	1.0
124.07568	0.5
124.12035	0.6
125.09625	0.5
127.03928	1.4
130.05133	0.4
131.08519	0.5
133.02901	0.7
133.10155	0.9
134.03633	12.7
134.10632	0.5
135.08046	0.6
135.11670	0.6
137.05962	0.9
141.06956	0.9
143.05591	0.9
143.08597	0.4
145.04982	0.7
145.06584	0.6
147.04411	5.2
147.11722	2.1
148.11996	0.8
149.02306	2.2
149.09660	0.5
151.07515	1.0
152.04704	8.1
153.01849	0.6
153.05486	6.4
161.05942	0.4
163.03957	0.5
164.04706	2.1
165.12769	1.3
166.13092	1.4
167.07103	0.8
169.06464	1.0
173.05994	1.7
177.05479	1.9
185.05992	0.6
187.07549	1.7
195.10120	0.4
197.05966	4.5
200.04521	0.6
201.05586	0.5
211.07562	0.9
213.05519	0.5
215.07007	2.0
225.05424	4.7
226.06068	1.1
242.05714	0.6
243.06506	2.4
253.04970	5.9
254.05594	2.0
255.06476	1.6
267.06561	2.0
268.07297	1.6
268.16327	0.9
269.04544	3.6
269.07788	2.8
270.05084	10.0
271.05951	36.8
272.06403	0.6
285.07568	26.8
286.08255	100.0
287.05554	9.6
287.08655	1.5
299.09106	0.5
301.07010	0.6
411.39737	0.4
448.13098	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	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19257	1.7
53.03930	6.1
55.01862	7.0
55.05267	2.4
55.05513	32.5
56.42495	1.7
56.96552	6.1
57.03433	15.1
57.07061	4.1
59.04986	1.8
61.02926	2.2
65.03930	4.3
67.05507	67.3
69.03431	11.5
69.07075	18.2
71.01324	2.5
71.04971	5.8
79.05494	66.5
81.03420	59.4
81.07063	54.9
83.04988	15.2
83.08619	22.5
85.02931	8.6
85.06541	4.7
91.03946	3.6
91.05482	60.9
93.06483	3.6
93.07049	55.6
95.04370	3.4
95.04968	54.9
95.08614	29.0
97.02852	9.1
97.06023	1.5
97.06548	13.2
97.10163	17.0
98.97594	1.8
99.08073	2.9
103.05471	4.1
105.03391	1.9
105.07034	39.3
107.04978	18.2
107.08590	33.5
109.02890	3.0
109.06538	9.8
109.10158	16.4
111.04419	2.9
111.08112	8.2
111.11660	1.9
115.05432	3.8
117.07023	19.4
119.04932	2.2
119.08590	27.9
121.06525	17.5
121.10138	15.5
123.08064	9.2
123.11685	3.2
125.05967	2.0
125.09614	10.9
127.03899	2.6
128.06241	4.9
129.07024	23.5
131.04895	4.0
131.08588	20.4
133.06470	8.5
133.10138	18.5
135.04469	2.4
135.08092	9.6
135.11703	29.0
137.06017	2.3
137.09639	5.8
139.11169	2.7
139.37627	1.7
141.06967	4.4
142.07790	2.8
143.08565	10.3
145.06506	16.5
145.10127	22.6
147.08061	9.0
147.11711	11.0
149.01228	2.7
149.02351	5.0
149.09656	9.1
149.13220	2.0
151.07538	5.7
153.05434	2.7
153.09113	1.8
155.08566	6.6
157.06445	3.9
157.10138	15.9
159.08052	6.1
159.11658	11.0
161.09612	5.4
163.07454	2.1
163.11165	10.7
165.09105	2.2
165.12767	3.6
169.10158	6.6
171.07986	4.2
171.11693	7.9
173.09641	4.7
173.11855	2.5
173.13287	6.4
175.11197	10.9
175.14810	1.8
177.12747	4.2
179.10629	1.9
181.10135	3.6
181.12195	5.1
183.08089	2.2
183.11655	5.0
185.09586	3.6
185.13263	7.7
187.11197	7.8
187.14798	2.8
189.09177	2.6
189.11153	7.7
189.12663	4.5
193.08571	2.4
193.10510	3.1
193.12277	20.2
195.11749	3.4
197.13339	2.5
199.11156	2.0
199.14824	2.2
201.12738	3.9
203.14342	8.6
205.12239	5.3
207.11696	2.2
209.13208	2.0
211.11189	2.1
211.13124	2.4
213.12744	3.6
219.13809	3.2
221.13449	2.5
221.15401	2.8
223.13255	4.1
225.12773	5.1
227.12650	2.7
229.32104	1.6
231.13660	1.8
243.13811	4.3
245.15497	2.4
249.14894	6.4
257.04419	2.5
257.15414	4.6
259.16937	2.3
261.14850	2.0
267.08963	3.0
269.10577	5.3
285.10156	4.4
286.10397	2.9
287.11569	3.1
316.11813	3.3
316.62079	2.1
324.61624	3.4
327.23166	3.1
329.21100	4.3
337.21603	14.3
345.24405	1.9
355.22672	31.1
373.23734	15.6
391.24438	2.0
403.24664	5.5
411.24936	2.5
429.26248	22.4
447.27371	100.0
448.27875	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.129
Annotation	Glycitin
Peak:m/z	Relative Intensity
57.03133	0.2
57.03414	0.5
61.02903	0.4
61.58461	0.2
67.05506	0.4
69.03429	1.2
69.32814	1.3
69.33231	0.5
70.06566	0.2
70.87454	0.2
71.04993	0.2
73.02899	0.3
74.39977	0.2
80.73779	0.2
81.03403	0.8
81.07060	0.3
81.93240	0.2
83.04965	0.3
84.08143	0.3
85.02908	1.7
86.09699	0.3
87.04517	0.3
93.07074	0.3
95.04953	0.4
97.02872	0.9
98.21531	0.4
98.41989	0.2
105.07028	0.3
109.02846	0.4
119.08533	0.2
123.04430	0.8
123.11678	0.2
127.03913	0.6
127.14898	0.2
134.03618	0.2
135.56512	0.2
143.05670	0.2
145.04895	0.2
147.04382	0.4
151.03906	0.2
153.05463	0.4
155.10664	0.2
163.03969	0.2
169.06471	0.5
185.05952	0.3
186.06723	0.3
197.05937	1.0
197.11723	0.5
199.12206	0.2
200.04858	0.2
213.05482	0.3
214.06224	0.5
218.63255	0.2
224.04735	0.4
225.05507	1.0
229.05096	0.2
229.08647	0.7
238.06346	0.2
241.04994	0.3
242.05777	1.3
253.04968	1.1
254.05853	0.3
257.04456	1.1
257.08054	0.3
257.12817	0.3
269.04459	20.8
270.05237	32.0
271.05606	0.7
283.05927	0.3
284.06683	0.4
285.07581	100.0
286.04922	0.2
286.07953	2.7
287.05356	0.2
327.08545	0.4
400.29486	0.2
447.12866	19.3
448.13196	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85323	0.8
53.03938	3.2
53.04177	0.7
55.01867	2.9
55.05506	5.3
55.22770	0.9
56.96564	1.0
57.03435	10.5
57.07067	0.9
59.04997	0.7
61.02924	25.0
65.03953	0.9
67.05505	16.8
69.03430	15.7
69.07068	9.3
70.92614	2.0
71.01347	2.5
71.05000	4.7
73.02920	12.7
75.04476	1.2
78.04729	0.9
78.24017	0.8
79.05492	9.1
81.03417	12.9
81.07056	43.6
83.04980	5.9
83.08643	4.0
85.02905	28.3
85.06528	3.2
87.04462	2.3
91.03405	1.2
91.03960	15.9
91.05479	15.6
93.07043	8.0
95.04951	4.3
95.08607	11.6
97.02895	24.6
97.06545	4.9
99.04460	5.3
99.08083	2.6
101.02390	4.8
101.05994	1.3
103.03938	3.0
105.07030	21.7
105.91342	0.9
106.04200	1.4
107.04940	1.1
107.08605	9.3
109.02881	8.5
109.06512	5.3
109.10144	3.3
111.04440	2.3
115.03918	2.0
117.05447	0.9
117.07019	1.3
119.04927	1.1
119.08574	16.1
121.06477	1.1
121.10144	12.4
123.04447	1.9
123.08063	2.7
123.11714	17.8
125.09608	1.8
127.03931	14.3
127.07580	2.4
129.05470	2.2
129.07034	1.5
131.04872	0.8
131.08588	1.8
133.10149	2.7
134.03639	3.3
134.99644	0.7
135.11746	1.7
137.05992	2.5
137.09723	1.2
137.13284	1.3
143.05650	2.2
145.04958	4.2
145.10138	1.6
147.04381	1.2
147.11688	45.8
149.02344	1.3
149.09560	1.3
151.03938	1.4
151.07524	2.6
151.11220	0.9
152.04692	1.9
153.05489	2.6
157.10062	1.8
159.06552	1.0
159.11673	1.4
165.12758	30.0
167.07008	1.5
169.10081	1.2
171.06512	1.1
175.11249	2.3
177.05550	1.1
177.09094	0.9
183.06529	3.3
183.13808	5.7
193.12254	4.2
195.10185	1.8
197.06009	2.5
201.07570	3.2
211.13379	1.3
225.05560	2.9
227.14346	0.9
229.14368	11.8
242.05717	1.7
253.05031	2.9
267.15933	13.3
267.18628	1.3
269.04446	16.6
270.05228	30.1
271.05954	9.2
285.07574	100.0
285.16919	34.2
286.08261	26.3
286.17307	1.5
301.07031	2.8
309.16965	2.9
313.16382	2.5
327.17950	1.3
393.18970	1.8
393.27289	1.0
411.20209	2.8
411.29126	1.4
429.21130	2.3
429.30103	1.7
447.12833	16.4
447.22037	4.7
447.27368	1.2
448.13132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1288
Annotation	5,6-Dihydroxy-7-methoxyflavone 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03926	0.5
55.01847	0.5
55.05489	1.0
56.96550	0.6
57.03412	0.9
61.02899	0.9
61.03186	0.3
67.05511	1.4
69.03431	1.7
69.07043	1.1
69.28025	1.7
69.28451	1.4
71.01344	0.6
71.04960	0.8
73.02912	0.6
79.05459	1.0
81.03429	1.5
81.07070	2.4
82.07358	0.3
83.04980	0.7
83.08607	0.6
85.02920	2.9
85.06555	0.5
91.03950	0.4
91.05471	1.8
93.07027	1.3
95.04952	0.7
95.08616	1.8
97.02892	1.5
97.06528	0.6
98.21461	0.5
98.97610	0.4
99.04430	0.8
101.06000	0.4
102.61182	0.3
105.07005	1.4
107.08595	1.5
109.02892	1.4
109.06459	0.6
109.10131	1.0
116.98586	0.4
119.08562	1.3
121.02880	0.5
121.06473	0.6
121.10128	0.8
122.05988	0.8
123.04411	1.0
123.08035	0.4
123.11691	0.5
125.09575	0.4
127.03895	1.2
131.08551	0.6
133.10120	0.7
135.11661	0.5
137.05943	0.8
145.10143	0.6
147.04395	0.8
147.11668	1.1
149.02351	0.6
151.03925	0.4
151.07518	0.7
153.05493	0.4
157.10130	0.4
159.11678	0.5
161.13223	0.6
165.12733	0.5
167.07066	0.6
169.06453	0.3
173.09610	0.3
173.13129	0.4
175.14847	0.3
177.12685	0.3
179.14325	0.4
185.05954	0.6
189.12674	0.4
197.05951	0.9
213.05450	0.4
214.06310	0.3
224.04630	0.5
225.05449	1.1
229.08698	0.6
237.02702	0.6
239.07297	0.3
239.11790	0.3
242.05627	1.3
253.04994	1.7
257.08212	0.4
257.12939	0.5
258.05209	0.4
269.04459	18.5
270.05243	29.6
271.05487	0.7
276.53543	0.3
285.07587	100.0
286.04736	1.1
286.07965	2.2
287.05682	0.6
297.07593	0.4
301.07028	2.1
314.60156	0.4
315.10272	0.6
315.60535	0.9
369.62921	0.4
370.13284	0.9
386.14664	0.5
411.86423	0.4
430.65811	0.8
446.67249	2.2
447.12866	18.6
448.13474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
57.03428	0.4
65.03941	0.4
67.05516	1.6
68.59873	0.3
68.99780	0.8
69.03413	1.4
69.07053	0.8
69.94796	1.0
69.95198	0.5
70.06599	0.4
71.04971	0.8
73.02921	13.8
76.87833	0.3
79.05505	0.9
81.03420	1.2
81.07059	2.4
83.04974	0.4
83.08588	0.3
85.02908	1.2
85.06546	0.6
87.04453	1.1
91.05447	0.7
93.03419	0.3
93.07044	1.3
95.04956	1.3
95.08601	1.6
97.02892	0.8
97.06533	0.5
97.10194	0.5
99.04461	0.4
99.08066	0.3
103.05486	0.4
105.07031	1.5
107.04945	0.6
107.08584	1.4
109.02882	1.2
109.06522	0.9
109.10144	1.3
109.19178	0.2
110.07203	0.3
111.00807	1.1
111.04457	0.5
111.08124	0.5
119.08582	0.9
121.02856	1.5
121.06495	0.5
121.10138	1.0
123.04424	1.0
123.08046	0.4
123.11718	0.6
125.05994	0.4
125.09631	0.7
127.03921	0.8
129.05475	0.3
131.08586	0.4
133.06436	0.3
133.10139	0.7
135.04417	0.4
135.11697	0.4
137.02348	3.8
137.03334	0.5
137.05977	1.0
141.06992	0.3
143.05685	0.8
143.08611	0.3
145.06526	0.4
145.10149	0.6
147.04340	0.6
147.11745	0.9
148.07570	0.4
149.02411	0.6
149.09634	0.4
149.13295	0.4
151.03899	0.3
151.07536	1.2
151.11226	0.5
153.01855	4.2
153.05452	0.5
159.11661	0.4
161.05989	0.5
161.13176	0.4
163.03911	0.7
163.11174	0.4
165.01868	2.4
166.02658	0.4
167.07083	0.4
171.72572	0.3
173.06056	0.7
175.11179	0.3
177.05490	0.5
177.09247	0.3
183.02853	0.7
183.04384	0.4
187.11192	0.3
193.08746	0.3
195.10162	0.6
200.43335	0.3
201.05486	1.8
219.06471	0.4
229.04968	4.8
229.08542	0.6
243.11346	0.4
247.05978	0.8
257.04474	3.1
257.12897	0.5
269.04550	0.4
270.05240	1.1
274.04831	0.8
275.05191	0.4
285.04028	1.4
285.07550	10.6
285.12347	0.7
285.16901	0.4
301.03613	0.3
301.07004	0.4
302.04135	0.7
303.05002	100.0
304.05341	2.0
338.46082	0.3
411.29044	0.4
429.30194	0.8
447.07227	0.6
447.13181	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01859	9.8
55.05504	21.3
57.03434	18.0
60.04547	8.1
65.03923	16.7
67.05493	33.1
69.03424	50.6
69.07071	14.2
69.34023	79.8
70.06599	35.6
71.04989	14.2
72.08147	13.8
73.02908	10.6
74.06052	7.8
79.05477	16.8
81.03416	23.6
81.07054	25.6
83.04974	76.0
84.04503	19.5
84.08142	19.0
85.02907	70.5
86.09705	42.6
91.05478	25.8
92.24941	6.4
93.03406	15.0
93.07024	13.4
94.06580	9.1
95.04964	59.9
95.08598	9.7
96.08152	7.9
97.02880	19.4
97.06542	12.6
98.97569	7.4
99.00835	16.7
99.04446	12.2
105.04499	8.5
105.07026	12.0
107.04924	10.1
107.08580	14.0
108.08117	19.0
109.02881	15.8
109.06522	28.3
110.06013	10.8
111.04452	89.8
119.08531	17.7
120.08051	9.5
121.02878	29.0
121.06501	29.5
122.06050	12.4
123.08060	17.7
124.07624	14.6
127.03925	14.1
129.05479	23.9
131.08502	11.5
133.10124	8.6
135.08052	19.7
136.07545	10.1
137.06000	20.2
137.08359	11.8
138.05511	10.2
139.03857	45.4
140.07079	13.4
143.05609	39.6
145.05035	6.9
147.04384	15.1
147.08064	9.6
148.11234	9.3
149.05983	22.9
149.09566	11.6
150.09126	16.5
151.03979	7.9
151.07507	9.8
152.07130	10.8
153.09087	21.1
157.04982	18.2
160.11237	11.9
161.05885	7.5
163.03908	9.2
167.07040	26.4
170.06357	26.9
171.06644	21.8
174.09145	37.2
175.03941	7.8
175.11180	28.4
177.05482	16.3
177.12781	16.9
178.08604	38.7
192.10191	47.9
193.12238	100.0
205.12309	17.7
207.06505	8.1
218.15353	19.2
223.13229	39.2
230.15453	12.6
248.16452	24.1
266.17636	17.5
273.06058	24.8
284.18530	9.2
299.20236	8.4
299.87875	7.5
372.15845	7.8
410.21539	10.6
428.14630	12.3
446.16083	14.6
447.11533	20.0
447.17456	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	446.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.2
55.05509	17.9
59.04990	5.1
59.06118	4.9
59.78959	4.7
60.04519	14.5
60.08168	4.6
61.02916	10.6
67.05499	22.5
68.87812	4.5
69.03432	40.9
69.07068	10.4
69.26938	16.6
69.27362	41.0
70.06586	26.1
71.04995	13.5
72.08147	11.6
79.05481	7.9
79.19925	4.7
81.03426	18.8
81.07072	11.1
83.04993	39.6
84.04510	5.8
84.08154	7.8
85.02896	48.5
85.06528	5.4
86.06062	6.6
86.09696	19.7
87.04473	6.3
91.05485	16.7
93.03418	8.4
93.07056	14.1
95.04970	25.2
95.08620	25.5
96.08118	7.6
97.02874	25.7
97.06540	5.4
98.06031	6.6
98.97569	8.8
99.00837	4.8
99.04461	8.6
100.07590	13.2
105.07024	12.8
107.08601	12.4
108.08115	11.9
109.02907	6.1
109.06494	10.8
109.10124	9.1
110.06045	6.2
111.04470	33.3
113.05986	6.5
116.98628	4.8
119.08585	9.3
119.93489	5.1
121.02859	17.0
121.06523	8.8
121.10141	20.1
123.04409	10.6
123.08063	32.4
124.07566	44.1
124.11166	9.1
125.09652	5.4
127.03915	16.3
129.05470	13.1
131.08571	7.2
133.10107	6.3
135.08098	11.6
135.11694	5.1
136.07587	8.4
137.06001	14.5
137.09624	11.7
139.03899	20.3
142.12288	13.7
143.05652	11.4
147.04326	5.4
147.11694	9.3
148.11186	6.5
149.05989	5.6
149.09641	6.9
150.09135	6.4
151.03958	6.6
151.11223	5.8
156.10226	6.7
157.04945	8.0
159.11714	5.4
161.13307	5.7
163.04083	5.4
163.11212	9.1
164.10674	7.9
166.12309	6.4
167.10681	32.9
177.05473	11.9
177.12724	5.2
189.12711	6.1
192.10220	6.3
196.13261	6.3
207.13815	20.0
218.15694	5.3
222.15019	5.3
223.13287	7.3
230.15390	7.7
233.17642	7.1
237.02899	7.2
240.15897	7.2
248.16454	34.9
249.14833	10.0
250.18083	5.8
266.17514	100.0
270.05267	14.6
284.18561	89.9
285.07532	43.1
288.39841	5.2
296.06281	8.4
297.07602	8.3
313.07037	5.7
326.07474	7.1
338.07520	8.6
380.08423	7.7
410.09769	8.2
410.21646	6.3
428.22635	21.2
429.10849	5.7
446.24014	74.9
447.12079	17.2
447.17834	9.0
458.92856	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	445.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01849	4.0
55.05508	43.6
56.96549	3.6
57.03437	28.1
57.07076	31.0
59.04986	2.6
66.92826	3.1
67.05178	3.9
67.05505	62.2
69.03435	7.6
69.06721	4.7
69.07066	60.9
71.04991	5.0
71.08624	20.1
71.60799	4.9
71.61184	3.1
73.06516	4.5
75.04462	5.6
75.15078	2.7
79.05495	37.9
81.03407	5.8
81.07053	83.5
83.04969	7.5
83.08617	49.8
85.02895	4.5
85.06538	3.6
85.10175	11.8
89.14494	2.4
91.05451	21.9
93.07044	35.7
95.04961	7.2
95.08601	78.3
97.02869	3.7
97.06533	15.8
97.10165	33.4
99.08068	4.0
100.21584	2.6
105.07022	17.8
107.04958	3.2
107.08591	30.1
109.10138	33.8
111.08089	15.4
111.11715	9.1
113.06010	2.9
115.07610	4.9
117.07008	8.5
117.50885	2.5
119.08549	14.9
121.06495	3.5
121.10145	37.9
123.08073	4.1
123.11714	16.1
125.09609	13.4
127.03896	3.5
129.07025	5.5
129.09128	3.1
131.07036	4.2
131.08583	15.1
133.10094	9.3
135.11690	28.1
137.13228	7.5
139.11130	10.1
141.06958	2.8
143.08574	4.9
143.10654	2.8
145.10094	10.1
147.11671	8.5
149.13254	16.2
151.14821	2.9
153.12721	7.0
155.08621	3.5
157.10040	4.3
159.11678	6.4
161.13268	5.5
161.15172	2.9
163.14824	9.2
167.14285	4.5
175.14873	3.5
177.16521	5.3
179.14250	2.9
181.15877	3.6
191.17981	3.6
195.17508	3.1
199.16890	5.1
219.13756	8.1
227.18231	2.6
233.22621	12.4
251.23740	22.4
261.22052	8.6
275.40707	3.0
279.23224	16.9
283.08328	3.4
297.24258	4.6
315.21582	5.8
315.25302	100.0
353.27081	30.8
371.28088	51.7
376.09314	3.1
389.26572	4.7
427.30750	23.5
445.30655	50.6
445.57150	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01851	4.3
55.05266	3.2
55.05512	52.9
57.03439	30.1
57.07079	33.0
63.44591	1.9
64.05943	2.2
67.05506	71.1
67.05870	3.4
69.03425	4.6
69.07070	71.0
69.53364	4.2
69.53769	13.9
69.70230	1.9
71.04987	7.7
71.08640	21.0
73.02893	2.5
73.06539	3.0
75.04465	5.5
79.05502	37.6
81.03409	5.1
81.07058	94.6
83.04969	6.6
83.08150	2.6
83.08623	56.5
85.02887	5.4
85.06521	5.6
85.10188	12.5
91.05466	21.2
93.07040	49.1
95.04984	6.2
95.08607	96.3
97.02930	2.7
97.06536	22.1
97.10177	35.9
101.06008	5.4
105.07040	16.9
107.04913	2.4
107.08591	32.6
109.06516	2.8
109.10157	42.5
110.08640	2.6
111.08074	13.3
111.11697	10.7
115.07542	3.8
117.07025	7.4
119.08598	10.6
121.10142	38.5
123.11687	17.2
125.09617	12.4
129.07018	8.8
129.09105	6.1
131.08572	14.9
133.10117	6.7
135.11699	31.4
137.13245	9.5
139.11156	9.7
141.07043	2.9
143.08522	6.2
145.10097	5.7
147.11662	6.8
149.13258	17.9
151.07608	2.2
151.14827	3.1
153.12723	7.6
153.16322	2.0
155.08470	5.3
157.10144	4.2
159.11693	4.6
161.13245	7.5
163.14841	11.9
167.08534	3.0
167.14282	4.2
169.06445	2.3
169.10150	4.2
171.11708	3.1
171.13797	4.7
173.13229	2.2
177.16380	6.1
178.28819	2.2
179.14331	4.2
181.15826	5.7
183.11823	4.4
186.42638	2.1
195.17502	5.7
205.67249	2.6
225.16389	3.4
233.22646	19.0
251.23735	23.2
261.22177	7.3
269.24673	3.6
279.23178	17.7
297.24258	3.3
315.25314	100.0
343.62543	2.3
353.27112	44.3
371.27982	49.3
389.26566	3.8
427.30740	14.6
428.24777	2.1
445.31400	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01861	4.4
55.05514	18.3
56.49343	1.2
56.96563	2.2
57.03428	3.1
65.03928	1.4
67.05507	41.4
69.03416	3.8
69.07068	14.5
69.92376	0.9
69.92737	6.8
71.04977	4.0
77.03944	1.1
79.05497	39.5
81.03422	3.1
81.07061	40.3
83.04983	3.7
83.08627	9.7
85.02874	1.6
85.06543	3.2
91.05479	51.0
93.07047	33.1
95.04976	9.2
95.08607	26.8
97.02897	2.2
97.06525	3.2
97.10156	6.2
98.21419	1.8
99.08099	1.3
103.05434	2.1
105.04549	1.1
105.07037	49.8
107.04935	4.5
107.08596	16.0
109.02982	1.0
109.06525	5.2
109.10161	9.5
111.08107	1.8
115.05456	2.5
117.06252	1.4
117.07033	20.9
118.54992	1.1
119.04956	1.2
119.08585	30.1
121.06506	5.6
121.10142	13.2
123.08065	4.2
123.11713	1.8
125.09632	2.2
128.06224	5.2
129.07005	18.0
130.07838	1.1
131.08578	38.3
133.06512	4.5
133.10139	15.3
135.08034	3.6
135.11702	4.8
137.09621	1.9
139.07538	1.1
139.11192	1.4
141.07008	5.8
142.07765	2.1
143.08551	19.1
145.06433	3.8
145.10127	24.1
147.08086	5.4
147.11681	5.6
149.09622	3.0
151.11201	1.9
153.07030	1.3
153.09103	1.3
155.08562	11.3
157.10146	14.1
158.10948	1.4
159.08064	2.3
159.11668	10.3
161.09601	2.7
163.11192	2.1
167.08548	2.5
169.10153	6.9
171.08060	1.4
171.11650	8.1
173.09648	1.9
173.13269	2.6
174.49652	1.2
181.10136	5.7
183.11729	5.5
185.13249	5.9
187.11162	2.2
187.14839	2.5
189.11197	1.4
189.12755	1.5
195.11690	4.2
197.13266	4.9
199.11121	1.7
199.14870	3.0
201.12737	1.5
201.16501	1.3
209.13229	3.4
211.14880	2.0
213.12735	2.6
213.16351	1.2
215.14244	1.3
219.13792	1.2
223.14914	3.8
225.16397	1.4
229.15918	1.2
233.15399	2.4
237.16452	1.6
241.15831	2.3
243.17577	1.6
245.15474	2.0
247.16980	3.3
255.17532	1.9
259.16837	2.8
269.19067	1.4
273.18390	1.6
325.25220	3.8
335.23630	5.2
343.26251	6.7
347.15421	1.8
353.24762	19.9
359.03192	1.7
363.21463	1.2
365.16238	2.3
371.25842	19.0
389.26901	18.8
427.28659	3.2
445.29532	100.0
446.29816	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
54.42999	0.6
55.01884	3.4
55.05510	18.3
56.82530	0.6
57.03421	2.9
57.07061	1.4
65.03931	2.7
67.05505	39.4
69.03414	1.3
69.07066	14.0
70.23920	1.2
70.24332	1.7
71.04990	3.1
71.08658	0.7
73.87279	0.8
79.05494	33.7
81.03407	1.8
81.07054	36.4
83.04987	3.4
83.08617	6.4
85.02876	0.8
85.06546	3.1
91.05477	51.9
93.07043	33.2
95.04956	7.4
95.08605	26.4
97.06524	3.8
97.10168	3.6
98.20896	0.9
103.05434	3.1
105.03386	0.7
105.04533	0.8
105.07027	51.4
107.04969	3.8
107.08600	14.6
109.06519	5.0
109.10150	8.1
111.08064	1.9
113.05955	0.9
115.05428	3.0
117.07013	24.6
119.08582	28.7
121.06494	5.6
121.10139	10.2
123.08062	3.5
123.11666	1.0
125.09622	0.8
127.07547	0.7
128.06206	4.1
129.07002	16.8
130.07748	1.4
131.08565	41.7
133.06491	3.3
133.10129	17.0
135.08064	4.0
135.11665	4.8
137.09615	1.8
139.11143	1.1
141.06985	5.4
142.07784	2.5
143.08557	17.2
144.09198	0.9
145.06459	4.6
145.10118	26.3
146.10506	0.8
147.08032	3.6
147.11694	4.7
149.09613	3.5
149.13246	1.1
151.11165	1.7
154.07758	1.3
155.08545	9.3
156.09291	0.7
157.06543	1.1
157.10118	11.2
158.10956	0.7
159.08098	2.5
159.11688	10.3
161.09631	3.1
161.11853	0.7
161.13199	3.2
163.11171	1.0
166.07784	1.0
167.08621	3.8
169.10129	8.2
171.08046	1.2
171.11688	5.6
173.09651	1.4
173.13275	4.9
175.11234	1.6
175.14815	1.2
177.12787	1.6
179.08670	0.8
181.10124	4.3
182.10970	1.0
183.11690	5.6
185.09634	1.5
185.13216	3.9
187.11192	1.7
187.14854	2.7
189.12788	1.4
193.10071	1.1
195.11641	3.4
197.13252	5.5
199.11226	0.7
199.14851	3.2
201.12788	1.8
201.16319	1.3
205.15993	1.2
209.13284	4.5
211.14696	3.3
213.12775	1.5
213.16362	0.9
215.14381	1.4
217.15941	0.9
219.13768	1.2
219.17613	0.8
221.13297	1.0
221.15295	0.9
223.14807	2.6
225.16429	2.4
227.14293	2.6
227.18095	0.9
229.15886	1.3
233.15379	2.4
235.15016	0.7
237.16405	1.3
241.15955	2.1
243.17517	1.1
245.15370	1.3
247.16939	3.1
255.17441	2.4
259.16968	2.7
261.18576	3.8
269.19012	1.1
271.16885	0.8
273.18646	1.9
275.20032	1.3
287.20093	1.4
325.25272	5.7
330.12909	0.8
335.23709	6.2
343.26248	8.5
353.24756	22.4
353.29056	1.4
354.24957	0.7
371.25812	25.7
371.30560	1.4
372.26422	0.9
389.26871	26.5
399.29022	0.7
409.27325	1.2
417.29639	1.0
427.28394	5.7
445.29504	100.0
446.29691	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76889	0.7
53.03934	3.0
55.01863	3.0
55.05508	15.9
57.03447	3.9
57.07095	1.1
65.03936	2.4
67.05504	41.6
69.03437	1.1
69.07068	13.6
69.26904	8.2
71.04990	3.0
77.03903	0.9
79.05492	32.8
81.03426	2.2
81.07056	33.2
83.05001	3.7
83.08610	5.8
85.06541	2.2
91.05480	52.5
93.06465	1.6
93.07043	29.2
95.04969	8.4
95.08607	25.1
97.06538	3.3
97.10194	2.6
103.05475	2.2
103.70818	0.8
105.04498	1.0
105.07030	46.0
107.04964	3.6
107.08598	16.1
109.06527	5.3
109.10142	8.2
111.08094	1.7
115.05465	3.2
116.06231	1.2
117.07017	23.0
119.04897	1.0
119.08581	29.1
121.06519	4.6
121.10141	11.1
123.04475	0.8
123.08082	2.1
123.11705	0.8
125.09630	0.9
128.06192	4.5
128.86107	0.7
129.07002	16.5
130.07805	1.6
131.08568	37.7
133.06506	3.4
133.10127	14.3
135.08081	4.3
135.11700	4.0
137.09636	1.8
141.06958	6.1
142.07764	1.4
143.08566	16.9
144.09386	0.8
145.06490	2.6
145.10123	22.1
147.08075	3.4
147.11700	4.6
149.09627	3.5
149.13286	1.4
154.07719	0.9
155.08566	9.2
156.09323	0.7
157.10121	11.1
158.10909	0.8
158.95032	0.7
159.08061	2.2
159.11685	8.2
161.09648	2.0
161.13254	1.6
163.11078	1.3
165.07059	1.0
167.08580	3.9
169.10126	8.0
171.08035	1.1
171.11665	7.3
173.09676	1.6
173.11832	1.2
173.13281	4.5
177.12776	1.0
179.08559	0.9
181.10094	4.6
182.11026	0.9
183.11703	4.4
185.09663	1.5
185.13229	4.7
187.11234	1.0
187.14818	2.8
193.10164	0.8
195.10129	0.7
195.11656	3.9
195.13506	0.7
197.13197	4.7
199.11145	0.8
199.14848	2.6
199.27565	0.7
201.12735	1.5
201.16464	1.8
203.14465	1.1
207.11835	1.0
209.13336	3.2
211.14828	3.7
213.12732	1.0
213.16446	1.4
215.14279	1.5
217.15813	0.9
219.13849	1.4
221.15250	0.9
223.14821	3.0
223.16771	0.8
225.16385	3.0
227.14336	1.2
229.15886	2.1
233.15433	2.1
237.16483	2.0
239.17796	0.8
241.15956	2.3
243.17468	1.1
245.15456	1.3
247.17033	3.0
255.17497	1.7
259.16928	2.0
261.18561	2.7
273.18573	1.5
287.20120	0.8
325.25287	4.3
335.23758	5.2
340.32867	0.7
343.26309	7.0
353.24716	16.5
371.25800	20.2
389.26868	18.7
390.26895	1.1
409.27466	1.0
427.28558	4.0
445.29504	100.0
446.29688	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	445.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.9
52.80196	0.7
53.03950	3.8
54.97316	0.7
55.01875	3.6
55.05268	1.1
55.05513	16.6
55.43456	0.7
57.03420	2.9
57.07079	1.4
64.46428	0.7
65.03942	3.9
65.73781	0.7
67.05505	43.9
69.06719	1.2
69.07069	13.7
69.86148	3.9
70.39835	0.6
71.04996	2.0
75.56039	0.8
79.05495	38.4
81.03407	2.1
81.07060	36.8
83.04980	2.8
83.08622	7.6
85.06540	2.8
88.54269	0.8
91.05483	54.1
93.07045	35.3
95.04966	8.0
95.08605	25.0
97.06542	3.5
97.10174	1.9
98.21409	1.2
99.08109	1.5
103.05475	2.6
105.04515	0.9
105.07034	50.5
107.04962	4.8
107.08591	14.4
107.94202	0.6
109.06515	5.4
109.10155	8.3
111.04440	0.7
111.08087	1.6
111.92987	0.7
115.05421	4.2
116.06239	1.4
117.07014	25.0
119.04935	0.8
119.08578	28.9
121.06504	5.4
121.10146	11.0
123.08089	2.7
123.11694	1.1
125.09641	0.8
128.06213	4.5
129.07011	18.6
130.07823	1.8
131.08571	39.3
133.06494	2.5
133.10135	13.3
135.08075	3.3
135.11668	4.8
137.09627	2.1
141.07011	6.5
142.07788	2.9
143.08559	14.8
144.09384	1.2
145.06526	3.3
145.10120	21.0
147.08012	4.3
147.11665	4.1
149.09593	3.3
149.13293	1.0
151.11185	1.3
153.07047	0.9
154.04953	0.7
154.07840	1.1
155.08557	8.0
157.06479	0.7
157.10124	10.2
159.08058	1.5
159.11716	8.4
161.09613	1.8
161.13275	2.4
163.11276	1.4
165.07053	0.8
166.07791	1.1
167.08572	2.1
168.09364	0.7
169.10127	5.7
169.38776	0.7
171.11682	7.4
173.09604	1.1
173.13268	3.5
175.11276	0.9
175.14803	0.9
179.91119	0.6
181.10149	3.7
183.11710	4.6
185.09703	1.0
185.13248	5.4
187.11223	1.8
187.14838	3.0
189.12704	1.0
195.11699	3.6
197.13319	4.5
199.14827	2.8
201.12706	1.6
201.16350	1.2
205.10121	0.7
209.13287	2.7
211.14847	2.1
213.12737	1.2
213.16476	1.4
215.14345	1.7
219.11729	0.7
221.13322	1.1
223.14838	3.5
225.16452	1.8
227.14391	1.4
229.15828	1.3
231.17320	0.8
233.15402	1.1
235.14793	1.3
237.16499	2.0
241.15891	2.3
245.15323	1.2
247.16989	3.8
253.15784	0.8
255.17400	1.6
259.17020	1.2
260.62155	0.7
261.18549	2.5
269.19046	1.0
273.18500	1.9
275.19907	0.9
303.19492	0.8
307.24304	0.9
325.25287	3.7
333.20486	1.0
335.23767	5.2
343.26370	5.2
347.22110	0.9
353.24759	18.3
371.25851	16.0
389.26862	16.4
390.27109	0.9
399.28738	0.8
409.27130	0.7
427.28464	3.7
445.29495	100.0
446.29675	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.2
53.03947	5.7
55.01860	3.6
55.05270	1.3
55.05511	19.7
57.03421	3.9
57.07063	1.5
65.03939	2.7
67.05503	51.6
69.03423	1.6
69.07070	15.7
71.04974	3.2
71.43586	1.9
77.03905	1.3
79.05495	34.7
80.10715	1.0
81.03407	3.5
81.06579	2.2
81.07056	42.3
83.04973	3.5
83.08623	8.6
83.10690	1.1
85.06541	2.4
91.05479	61.4
92.05804	1.2
92.43616	1.0
93.07043	37.7
93.07629	2.2
95.04964	13.4
95.08607	27.6
97.06532	4.4
97.10148	3.4
99.08114	1.6
99.16736	1.1
102.34531	1.1
103.05457	4.2
105.07034	52.7
107.04942	5.9
107.08588	15.7
109.06493	5.5
109.10148	10.1
111.08110	3.0
115.05453	4.1
117.07021	26.6
119.04961	1.2
119.08578	32.0
121.06516	4.9
121.10143	11.2
123.08059	3.5
123.11733	1.4
125.09581	1.7
128.06216	4.9
129.07016	18.0
130.07654	1.3
131.08572	38.8
133.06480	3.8
133.10118	16.6
135.08058	3.8
135.11674	4.5
137.09621	2.6
141.06989	7.4
142.07767	2.7
143.08543	15.0
145.06476	2.3
145.10124	24.1
147.08044	3.6
147.11700	4.7
149.09613	3.9
151.07625	1.0
153.06944	1.4
155.08536	10.7
157.10155	10.5
159.08023	2.0
159.11691	10.6
161.09633	2.5
161.13219	2.6
163.11208	1.6
167.08589	3.8
169.10081	9.1
169.11221	1.0
171.11681	7.4
173.09660	1.9
173.13255	4.7
175.14781	1.1
177.12717	1.2
181.10178	5.4
183.11679	5.5
185.09601	1.8
185.13274	7.1
187.11244	2.2
187.14818	2.1
195.11757	3.5
197.13295	5.3
199.14833	3.1
201.12749	1.8
209.13292	3.7
211.14780	3.5
213.12761	1.9
215.14297	2.7
219.13878	2.0
223.14822	3.2
225.16394	2.2
227.14458	2.4
231.17331	1.3
233.15363	1.8
241.15872	2.2
243.17438	1.9
245.15353	1.7
247.16913	3.6
255.17534	2.6
259.17038	3.4
261.18588	2.6
266.48386	1.1
269.19214	1.3
273.18579	1.5
325.25238	3.2
335.23700	6.5
343.26242	5.6
353.24738	20.4
371.25772	18.7
389.26828	17.3
399.28943	1.1
410.90201	1.3
417.13724	1.2
427.28241	2.8
445.29483	100.0
446.29877	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	445.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.05505	7.2
57.03436	18.5
61.43536	4.3
67.05501	45.0
69.03429	22.5
69.07080	6.8
71.04999	100.0
79.05497	19.9
79.40710	4.1
81.03419	61.4
81.07059	64.8
81.81363	4.2
83.04984	18.8
83.08628	10.5
85.02909	11.6
85.06539	9.0
91.05479	37.9
93.07062	17.6
95.08621	10.8
97.02903	28.2
97.06522	5.6
99.04472	8.4
100.76105	4.5
101.82114	4.6
105.07039	23.5
107.08575	10.8
109.02888	8.1
109.10145	8.0
117.06976	4.7
123.11694	10.8
127.03980	5.2
129.05486	9.0
131.08543	5.6
133.10088	29.9
149.13242	6.9
151.11194	25.1
159.11719	8.5
170.95242	5.2
173.04436	23.0
177.12738	6.5
183.13831	9.7
187.13292	27.0
195.13736	7.3
201.14886	16.2
204.14363	4.4
209.11949	4.3
229.83583	5.2
238.33295	4.6
243.16011	8.2
257.17493	49.0
263.31122	4.5
266.99652	4.9
269.17426	4.5
298.32413	4.3
413.21729	8.7
445.24344	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.2
53.03924	3.2
53.65216	1.0
55.01847	3.6
55.05513	24.8
57.03437	6.0
57.07067	3.2
65.03913	3.8
67.05502	50.8
69.03432	1.9
69.07064	19.1
71.04971	4.3
73.51512	1.1
79.05022	1.7
79.05491	45.4
81.03391	4.0
81.07056	47.5
83.04966	3.5
83.08611	12.1
85.06528	2.1
91.05476	62.5
92.05643	1.0
93.07042	39.9
95.04964	10.5
95.08607	32.9
97.02867	1.8
97.06546	5.9
97.10169	5.7
98.98440	5.2
99.08050	1.5
103.05429	3.7
105.07030	49.8
105.68889	1.2
107.04926	4.2
107.08582	17.5
109.06517	7.4
109.10162	10.3
111.08112	1.3
111.11704	1.7
115.05389	2.8
116.06218	1.5
117.06226	2.0
117.07008	24.8
119.08568	32.4
121.06463	4.5
121.10136	10.7
123.08047	3.2
123.11705	2.7
125.09552	1.8
127.03881	1.2
128.06194	4.9
129.07018	19.8
130.07788	1.9
131.08568	46.4
133.06447	3.7
133.10126	16.9
134.98183	24.5
135.08035	4.8
135.11690	7.1
137.09601	2.3
141.06955	5.2
142.07686	1.9
143.08562	16.9
145.06445	3.2
145.10109	22.9
147.08054	5.8
147.11655	6.9
149.09616	3.5
149.13216	1.5
151.11186	1.6
153.09158	1.1
155.01024	3.4
155.08549	9.2
157.10136	12.6
159.08061	1.7
159.11687	9.7
161.09610	2.8
161.13182	1.9
163.11116	2.3
167.08563	2.3
169.10100	7.8
171.08080	2.0
171.11667	8.4
173.04501	1.5
173.09529	2.2
173.11853	1.5
173.13240	4.1
175.11235	2.0
175.14853	2.1
179.08640	1.2
181.10117	6.1
183.04172	3.7
183.11684	4.6
185.09634	1.6
185.13217	5.4
187.11166	1.5
187.14810	2.9
189.12825	1.3
195.11623	3.2
197.13181	5.5
198.59761	1.2
199.14812	4.8
201.12820	1.4
201.16403	3.2
209.11487	1.4
209.13229	3.9
211.14775	3.5
213.12907	1.2
213.16290	1.3
217.15764	1.5
218.78873	1.6
223.14806	3.1
225.16360	2.1
233.15456	1.3
241.15884	2.2
247.16922	3.2
249.28047	1.0
255.17580	1.4
259.17056	1.5
261.18494	2.7
273.18500	3.7
311.25879	6.8
325.25284	3.8
333.24133	1.5
335.23584	5.5
343.26364	8.2
353.24771	18.7
371.25763	17.2
389.26938	20.0
427.28391	2.4
445.23218	11.1
445.29401	100.0
446.29623	3.9
467.31528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01859	1.4
55.05510	0.5
57.03431	1.5
59.04988	1.0
61.02911	1.4
63.77926	0.5
65.03903	0.6
67.05490	2.1
68.99785	0.9
69.03426	8.5
69.07062	1.0
70.06577	1.1
71.04967	1.7
71.07777	1.2
72.08154	0.9
73.02914	1.3
79.05471	2.1
81.03419	6.6
81.07039	2.2
83.04982	0.5
84.08121	1.2
85.02435	1.0
85.02907	15.8
85.06554	0.6
86.09711	3.2
87.00815	5.4
91.03951	0.7
91.05420	3.6
93.07041	7.6
95.04975	2.4
95.08587	1.3
97.02888	4.5
98.75838	0.5
99.04442	2.0
105.01864	4.1
105.07027	5.8
107.04939	1.0
107.08593	16.9
109.02878	6.8
109.06501	1.7
109.10140	1.9
111.04411	0.6
117.07031	0.5
119.04929	1.0
119.08582	2.4
121.02872	3.7
121.06494	2.3
121.10140	0.9
123.04433	1.2
123.07991	0.6
123.11707	1.2
127.03915	9.4
127.88161	0.6
129.01825	0.6
131.08528	1.1
133.10121	17.1
135.04396	0.5
135.11690	17.0
137.05942	1.6
137.09608	1.8
143.05623	3.6
145.04961	1.7
145.10097	0.6
151.03888	1.0
151.11166	2.0
159.02866	0.9
161.05956	0.6
161.09622	10.0
163.11159	1.0
167.07011	0.8
179.10669	30.2
181.04845	0.8
197.11726	100.0
198.12007	1.4
227.12827	2.3
231.04999	1.2
246.15092	0.6
265.90891	0.6
283.15359	0.8
295.05984	1.1
296.06802	0.7
298.04755	1.3
303.05035	1.1
307.05945	0.6
307.99246	0.5
313.07016	3.9
324.06284	0.5
325.06982	0.7
339.08804	0.5
355.11819	0.7
359.02692	0.6
367.08105	3.2
388.13489	0.5
391.08276	0.9
409.09158	1.8
427.10370	2.0
428.17120	0.5
445.10788	1.9
445.15961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3884
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
54.09613	2.9
55.05503	10.3
57.03422	2.9
57.07069	2.6
62.36643	2.8
66.37386	2.5
67.05513	14.1
69.07066	14.6
69.31866	29.1
71.04925	2.5
79.05492	11.3
81.07062	32.0
83.08616	9.7
88.15226	3.2
91.05475	9.6
92.28068	2.7
93.07047	23.1
95.08607	47.0
97.06528	2.9
97.10166	5.4
97.17686	2.7
98.98489	6.5
102.98701	3.4
105.07005	17.6
107.08591	30.5
109.06602	3.1
109.10154	39.1
117.07036	3.3
119.08592	21.7
121.06580	3.5
121.10149	24.0
123.11728	17.0
125.09634	3.6
131.08578	6.9
133.10110	18.2
135.11717	30.0
137.13249	6.6
143.08487	3.2
145.10132	6.3
147.11754	14.2
149.13272	12.4
151.07629	2.6
155.01047	10.6
159.11720	7.8
161.13280	10.7
163.14839	9.9
165.09175	6.3
171.11755	2.7
173.13264	3.1
177.16328	2.6
183.04190	8.6
184.04437	3.3
189.16409	9.4
191.17990	10.2
201.16377	3.4
203.18013	10.4
207.17430	7.8
217.19496	5.2
261.22223	3.7
297.34869	2.9
320.67902	4.4
425.37976	7.2
443.19070	6.6
443.33173	5.2
443.38855	100.0
444.39981	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	444.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.01864	0.3
55.05496	0.2
57.03421	0.5
59.04981	0.4
61.02933	0.4
69.03423	2.9
70.06585	0.4
71.04971	0.9
71.59212	0.3
71.64359	0.2
73.34022	0.2
81.03400	0.7
82.09325	0.2
83.04974	0.3
84.08153	0.3
85.02886	1.8
86.01940	0.2
87.04471	0.4
88.03942	0.2
91.05836	0.4
94.04052	0.7
97.02882	0.9
98.16979	0.2
99.04456	0.6
101.06013	0.5
109.02804	0.2
111.04441	0.4
113.05993	0.4
115.03892	0.3
116.98648	0.3
119.03529	1.3
119.04941	0.3
123.04388	0.3
127.03926	0.5
129.05515	0.3
135.04407	0.6
136.06180	100.0
137.04614	1.1
137.05562	0.3
137.06596	0.3
139.03899	0.4
143.05681	0.6
147.04417	0.3
147.06479	0.4
163.03883	1.2
166.07234	5.7
167.05553	0.2
177.05463	0.3
193.05037	0.3
230.74326	0.2
282.11972	1.8
364.60300	0.2
403.13477	0.3
444.17371	4.4
445.15884	0.4
457.43292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24714	0.3
55.05507	0.4
56.05021	0.6
57.03430	0.6
57.05796	0.4
60.04530	0.7
60.05649	6.4
63.32700	0.4
67.05494	0.6
69.03429	0.7
69.06719	0.6
69.07066	8.6
69.51129	2.6
70.06592	22.7
70.58570	0.3
71.04984	1.6
72.08134	1.7
79.05476	0.5
81.03391	0.5
81.07059	0.6
83.04979	0.4
84.04502	0.7
85.02898	2.4
86.04932	0.3
86.09703	100.0
87.10045	1.2
91.05493	1.2
93.07033	0.8
94.46640	0.3
95.01350	0.5
95.04936	0.4
95.08619	0.6
97.02885	1.0
97.07669	0.5
99.04487	0.4
105.07029	0.5
105.99277	0.3
107.04962	0.4
107.08604	0.5
107.53081	0.3
108.08144	0.3
109.02868	0.7
109.06507	0.4
109.10131	0.3
110.06030	0.3
110.86047	0.4
112.08723	3.7
113.07115	0.4
114.10300	0.6
115.08681	3.7
116.07097	7.4
116.98605	0.5
119.04955	0.7
119.08595	1.3
120.08098	0.6
121.02895	0.6
121.10096	0.6
125.11147	0.3
127.03907	0.5
128.10715	17.6
129.05534	0.4
130.09760	3.0
131.11806	0.5
133.09787	0.7
134.09615	0.3
134.99683	0.4
137.06010	0.7
142.48694	0.3
143.05641	2.5
147.04395	0.9
156.10176	1.5
156.11333	7.7
157.10835	0.6
158.09254	7.6
161.05975	0.4
163.03885	0.3
167.06982	0.6
175.03831	0.7
175.11914	19.1
177.05449	0.4
181.04926	0.4
199.07610	0.3
207.06567	1.7
226.15399	0.4
237.02846	0.6
251.17519	0.4
253.16400	0.4
269.18613	0.5
271.17642	9.4
288.20413	0.8
332.74799	0.4
337.07092	0.4
401.28018	0.5
425.28763	1.1
443.29761	89.5
444.20966	0.7
444.30164	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	443.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75203	0.6
53.03938	1.9
55.01610	0.6
55.01855	2.9
55.05262	1.0
55.05512	16.5
56.96561	0.8
57.03427	2.6
59.04981	0.8
65.03935	1.9
67.05507	29.8
69.03423	1.5
69.07068	10.8
70.14959	2.7
71.04982	2.6
73.06548	0.7
77.03899	0.8
79.05492	22.6
81.03408	1.1
81.07059	26.7
83.05003	3.0
83.08614	7.2
85.06544	2.0
91.05476	35.5
93.03415	0.6
93.07044	22.0
95.04972	5.6
95.08604	16.3
97.06522	3.8
97.10164	2.6
98.21415	0.8
99.08084	1.5
103.05451	2.4
105.07030	25.9
107.04955	4.5
107.08596	9.4
109.06534	5.5
109.10158	7.3
111.08076	2.1
111.11774	0.6
115.05437	5.8
116.06222	1.7
117.07015	21.2
119.04927	1.9
119.05860	0.6
119.08586	15.0
119.09430	0.5
121.06496	5.4
121.10123	5.6
123.08057	3.4
123.11678	1.1
125.09603	1.2
127.07573	0.7
128.06221	8.0
129.07005	30.9
130.07776	1.7
131.04922	2.0
131.08568	28.5
133.06496	4.4
133.10130	7.0
135.08064	4.8
135.11691	2.1
137.05974	0.8
137.09579	3.5
138.06235	0.6
141.06993	12.2
142.07773	3.9
143.08560	24.6
144.09230	1.2
145.06482	7.2
145.10124	14.2
147.08035	5.7
147.11699	3.3
149.09613	3.5
151.07607	1.1
151.11136	0.8
152.06157	1.1
153.07040	3.0
154.07796	2.4
155.08545	17.2
156.09248	1.7
157.06506	2.6
157.10130	14.1
158.07210	0.6
159.08058	3.9
159.11679	5.8
161.09622	1.9
161.13269	1.5
163.11201	2.6
165.06979	3.2
165.09122	2.1
166.07771	2.1
167.07188	1.0
167.08566	7.0
168.09358	2.0
169.10132	12.8
170.10596	0.9
171.08066	2.3
171.11700	8.2
172.08897	0.7
173.09622	2.0
173.13277	2.5
175.11168	2.0
177.12787	1.4
178.07896	0.9
179.08580	3.4
180.09299	1.0
181.10112	7.2
182.10875	2.0
183.08116	1.0
183.11681	7.6
185.09656	2.6
185.13330	3.8
187.11160	1.6
187.14767	0.9
189.12708	1.0
191.08594	0.7
191.10622	0.8
192.09418	0.9
193.10170	3.6
194.10828	0.8
195.11707	7.9
195.13441	1.0
197.09650	1.3
197.13249	4.9
199.11151	3.0
199.14854	2.7
201.12766	1.8
205.10107	0.7
205.12321	0.7
206.10785	0.8
207.11685	3.8
207.13469	0.8
208.12500	0.8
209.13289	5.8
211.11209	2.7
211.14850	3.3
213.12802	5.3
213.16478	1.4
215.14336	1.6
217.15839	1.2
219.11609	0.7
219.13782	1.0
221.13281	5.2
223.14807	4.7
225.12723	3.0
225.16380	1.5
227.14288	2.8
229.12286	0.9
231.17343	0.8
233.13246	1.5
235.14845	3.7
237.16338	1.8
239.14272	3.7
241.15900	2.5
243.13768	1.2
245.15421	2.1
247.14853	1.3
249.16333	1.2
253.15840	3.4
255.17607	1.1
257.15366	2.3
259.16989	1.2
265.15964	0.7
271.16870	2.4
285.18536	1.6
297.18564	0.9
305.22464	1.4
309.18576	0.7
315.21075	0.8
323.23788	3.6
325.21597	0.7
331.19043	1.1
333.22159	7.2
341.24759	5.8
345.20660	1.6
346.06958	0.7
351.23172	26.0
352.23633	0.9
369.24255	33.9
370.24612	1.7
387.25296	11.9
407.25308	1.1
415.28616	1.2
419.06439	0.9
425.26794	4.9
437.07266	0.7
443.27942	100.0
444.28369	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01857	4.6
55.05507	16.9
57.03424	2.6
65.03929	2.6
67.05504	35.7
69.03423	2.6
69.07063	12.4
70.14017	1.1
70.51727	4.2
71.04981	2.4
79.05060	1.9
79.05492	29.9
81.03411	1.8
81.07050	32.6
83.04965	4.2
83.08608	7.9
85.06550	1.7
91.05483	38.2
93.07037	25.1
95.04969	6.8
95.08612	20.0
97.06528	4.5
97.10156	3.8
99.08101	1.7
103.05472	3.0
105.07026	28.9
105.07683	2.4
107.04939	4.9
107.08596	9.8
109.06520	6.2
109.10167	7.4
111.08095	2.9
111.08852	1.4
115.05428	7.4
117.07011	21.9
119.04947	1.5
119.08585	15.3
121.06506	6.9
121.10123	7.2
123.08051	3.6
123.11703	1.7
125.09602	2.6
128.06204	11.3
129.07002	31.1
131.04919	1.8
131.08565	32.3
133.06487	6.2
133.10114	10.3
135.08043	4.8
135.11674	2.5
137.09575	4.1
141.07001	11.3
142.07793	3.2
143.08569	24.8
145.06493	8.3
145.10127	16.2
147.08031	6.7
147.11678	4.2
149.09633	4.0
149.13292	1.8
151.11182	1.5
153.06950	2.2
154.07748	3.0
155.08560	18.9
156.09190	1.6
157.06549	2.1
157.10109	16.4
159.08055	4.4
159.11703	8.5
159.12865	1.3
161.09604	3.4
163.11118	1.6
165.07005	3.6
166.07756	2.0
167.08563	9.8
168.09302	1.7
169.10117	13.3
171.08078	3.9
171.11674	12.2
173.09596	3.7
173.13274	2.0
175.11209	3.1
179.08522	4.0
181.10098	8.0
182.10931	1.7
183.08066	1.3
183.11684	9.0
185.09644	3.0
185.13232	6.1
187.11102	1.8
193.10098	3.3
195.11726	7.9
197.13185	6.2
199.11189	3.0
199.14839	3.4
201.12740	1.5
203.14491	1.4
205.10040	1.3
205.12080	1.4
207.11740	4.2
209.13298	7.2
211.11189	2.3
211.14793	4.0
213.12772	6.1
213.16513	1.9
215.14331	2.3
221.13260	6.2
223.14818	5.2
225.12683	1.8
225.16380	3.9
227.14287	5.0
231.13873	1.5
233.13185	1.3
235.14825	5.1
237.16295	2.2
239.14337	2.7
239.17982	1.5
241.15807	2.8
243.13640	1.3
245.15526	1.9
247.08519	1.8
253.15889	3.6
257.15387	3.1
259.16989	2.6
267.17517	2.2
271.17001	3.7
285.18497	1.8
305.22778	1.3
323.23691	3.9
325.78952	1.3
331.18851	1.8
333.22067	7.8
341.24930	5.6
345.20764	1.3
351.23178	24.2
369.24194	35.7
387.25299	15.6
388.25436	1.8
405.33014	1.7
415.28442	1.6
425.26697	6.1
435.37531	1.6
443.27921	100.0
444.28165	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	443.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01880	3.4
55.05264	0.9
55.05514	13.9
56.74817	0.6
57.03429	3.0
57.03671	0.7
65.03931	2.9
66.95999	0.6
67.05506	27.6
69.03435	1.4
69.07071	11.0
71.04985	1.9
75.85361	0.6
79.05495	28.8
79.05959	1.5
81.03388	1.6
81.07060	26.9
83.04977	2.6
83.08612	7.3
85.02914	1.2
85.06555	2.6
89.23647	0.6
91.05481	37.9
92.05805	1.1
93.07044	22.2
95.04988	6.1
95.08608	15.7
97.06522	4.9
97.10161	2.7
98.20722	1.7
99.04447	0.7
99.08094	0.9
103.05452	2.2
104.34972	0.7
105.03420	0.7
105.04482	0.8
105.07033	27.6
106.07354	0.7
106.31673	0.8
107.04952	3.1
107.08588	9.3
109.06519	6.1
109.08237	0.6
109.10152	5.9
109.51736	0.7
111.08070	1.9
115.05444	5.4
116.06236	1.6
117.07027	23.9
119.04932	1.7
119.08588	14.9
121.06514	4.8
121.10158	6.3
123.04404	1.1
123.08103	3.6
123.11697	1.5
125.06024	0.8
125.09674	1.5
128.06226	8.5
129.07002	30.1
130.07756	1.2
131.04951	1.2
131.08566	27.4
133.06485	5.8
133.10117	8.3
135.08086	4.1
135.11693	3.1
137.09660	3.6
141.06993	12.8
142.07819	4.1
143.08562	25.6
145.06496	7.6
145.10126	14.8
147.08066	5.2
147.11687	3.1
149.02307	1.6
149.09644	2.3
149.65341	0.8
151.07611	0.9
151.11165	1.2
153.07028	3.5
154.07765	2.2
155.08553	20.6
156.09354	1.9
157.06540	2.3
157.10133	14.3
159.08067	3.9
159.11676	6.0
161.09650	3.7
161.13300	2.0
163.03915	1.1
163.11159	1.7
165.06989	3.4
165.09093	1.7
166.07808	1.4
167.03348	4.6
167.07227	1.1
167.08563	8.7
168.03651	1.2
168.09354	1.0
169.06505	0.8
169.10118	11.7
170.10811	0.8
171.08038	2.3
171.11678	8.4
173.09628	2.9
173.13264	3.2
175.11200	2.4
177.12688	1.2
178.07771	1.9
179.08578	3.7
180.09436	0.7
181.10118	10.0
182.10875	1.4
183.08046	1.3
183.11699	7.1
185.09679	2.4
185.13261	5.5
187.11197	2.1
187.14764	0.9
189.11124	0.9
189.12692	1.4
191.08693	1.0
191.10735	1.0
192.09341	1.1
193.10129	3.8
194.11034	0.7
195.11729	8.3
197.09633	1.8
197.13245	5.7
198.10396	0.8
199.11191	3.1
199.14847	2.8
201.12737	2.0
207.11716	4.3
207.13518	0.7
209.13254	8.3
211.11212	2.7
211.14873	3.9
213.12772	5.7
213.16379	1.1
215.14355	1.1
217.15833	1.6
219.11768	1.0
220.12462	1.0
221.13264	4.8
223.14766	4.1
225.12767	2.7
225.16432	2.1
227.14282	2.9
229.15948	0.9
231.17438	1.0
233.13341	1.0
233.15448	0.8
235.14868	4.2
235.16931	1.0
237.16418	1.1
239.14240	3.8
241.15929	2.3
245.15428	1.8
249.16473	1.5
251.14195	1.4
253.15901	5.2
255.17313	1.1
257.15442	3.0
259.17004	1.3
265.16080	1.0
267.17432	1.6
269.15231	1.2
271.17010	3.7
275.16415	0.8
277.15903	0.9
285.07660	1.7
285.18729	0.9
305.22534	1.6
315.21021	1.4
323.20169	1.4
323.23587	4.7
331.19113	1.3
333.22101	7.1
341.24896	5.7
345.20514	1.5
351.23169	26.5
352.23483	1.3
359.25891	0.9
369.24271	35.7
370.24615	1.5
387.25320	13.6
389.24838	1.0
407.25879	1.6
415.28448	1.1
425.20853	0.8
425.26706	5.1
443.27930	100.0
444.28314	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	443.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.03941	2.2
55.01867	4.4
55.05275	1.0
55.05514	16.2
56.96534	1.0
57.03430	3.4
57.07070	0.9
65.03935	3.1
67.05510	34.4
68.99794	0.9
69.03416	3.2
69.07069	14.1
69.88329	4.0
71.04977	2.7
79.05498	32.8
79.48141	0.7
81.03415	2.4
81.07063	30.5
83.04983	4.3
83.08626	9.1
85.02934	1.1
85.06525	2.1
86.56152	1.0
91.05484	44.9
93.07047	27.3
95.04959	8.9
95.08612	21.9
95.09234	1.1
97.02902	1.0
97.06518	4.6
97.10176	3.6
99.08073	1.5
103.05496	1.4
105.04508	1.5
105.07030	26.9
107.04962	6.6
107.08597	15.0
109.06518	7.9
109.10163	8.7
111.08054	2.3
115.05444	5.6
116.06229	2.1
117.06221	1.7
117.07021	22.8
118.07786	1.3
119.04948	2.9
119.08578	17.8
121.06518	5.7
121.10155	7.4
123.04425	1.0
123.08096	5.1
123.11668	1.5
125.05939	1.0
125.09582	1.7
128.06226	10.8
129.07011	36.1
130.07822	1.4
131.04955	1.7
131.08569	30.2
133.06491	4.8
133.10141	10.3
135.08058	6.0
135.11671	3.8
137.05968	1.0
137.09636	4.5
139.11160	0.8
141.06996	15.8
142.07803	5.5
143.05653	1.2
143.08565	30.3
144.05736	1.0
145.06485	7.8
145.10132	18.1
147.08028	5.3
147.11707	4.1
149.09633	4.8
149.13257	1.5
151.07513	3.4
151.11224	1.8
153.01761	1.1
153.06984	2.5
154.07764	3.7
155.08557	22.1
156.09381	1.2
157.06480	2.6
157.10118	16.1
159.08066	5.9
159.11691	9.1
161.09610	3.1
163.11253	2.3
165.07005	3.0
165.09082	4.2
166.07837	1.3
167.07198	1.5
167.08551	9.6
168.00575	2.0
168.09346	2.4
169.10138	14.0
170.10915	1.8
171.08078	4.1
171.11700	11.0
173.09674	2.5
173.13286	3.3
175.03944	1.0
175.07533	1.0
175.11168	2.0
177.05556	1.3
177.12799	0.9
178.07880	1.9
179.07265	0.9
179.08524	4.5
180.09390	1.4
181.10124	10.1
183.02895	13.2
183.08151	1.4
183.11682	8.8
185.09656	2.9
185.13252	7.1
186.01572	6.5
187.07576	1.5
187.11150	2.6
189.12712	1.6
191.10678	1.2
192.09364	1.4
193.10213	4.1
194.10837	1.6
195.11717	8.2
197.09616	2.5
197.13264	7.2
199.11259	3.4
199.14821	3.0
201.09215	1.2
201.12764	2.3
205.10213	1.5
205.12154	1.7
206.11029	1.1
207.06581	2.7
207.11710	5.0
209.13298	7.6
211.11157	3.5
211.14821	3.6
213.12756	6.3
213.16241	1.3
215.14330	2.7
221.13327	5.8
223.14819	3.7
225.12756	2.5
225.16391	1.8
227.14325	2.5
229.15909	1.5
230.60136	0.9
231.13809	1.4
231.17395	1.2
233.13272	1.1
235.14914	4.0
237.16348	1.3
239.14336	3.7
239.17896	1.7
241.16000	2.2
243.06616	4.0
243.13853	1.4
245.15375	1.3
249.16533	1.8
251.14384	1.3
253.15904	4.3
255.17628	1.3
257.15488	2.5
259.17072	1.9
267.17392	1.4
269.08112	3.3
271.16998	3.4
285.18533	2.1
297.07556	1.0
322.08365	1.4
323.20215	1.2
323.23587	4.1
331.19019	1.9
332.05756	0.9
333.22009	6.6
337.10767	1.4
338.04401	1.4
341.24704	5.5
343.04462	1.5
346.06888	1.0
347.07666	3.9
351.23212	27.6
358.06857	2.2
369.09579	1.2
369.24280	38.0
370.24615	1.7
371.07602	6.8
372.08234	1.3
386.10049	1.9
387.10602	2.6
387.25348	15.2
399.11005	1.7
407.26028	1.0
415.28378	1.3
425.12256	5.1
425.26962	7.2
443.13467	23.7
443.27942	100.0
444.13831	3.0
444.28513	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
56.96569	1.0
57.03440	0.8
67.05499	1.7
69.03437	1.5
69.07052	1.5
70.06599	0.5
71.60013	0.4
71.60436	0.8
76.17765	0.5
76.65888	0.4
79.05487	1.3
81.07055	2.9
83.04987	0.7
83.08598	0.6
85.02933	1.1
85.06549	0.6
86.09703	1.7
91.05481	3.0
93.07047	2.3
94.04091	0.5
95.04954	0.7
95.08604	2.1
97.02898	0.8
97.06506	1.3
105.07024	2.0
105.11476	0.4
107.08592	2.2
109.02895	0.8
109.06499	0.8
109.10138	1.8
115.05414	0.6
119.01896	0.5
119.04957	1.5
119.08569	1.5
121.10169	1.9
122.06016	0.5
123.08045	1.2
123.36627	0.4
125.09631	1.0
127.03876	0.6
127.30181	0.4
129.07054	0.6
131.08577	0.9
133.10144	1.6
133.76715	0.5
135.08058	0.9
135.11691	1.0
137.05945	0.6
137.09642	0.5
141.07033	0.6
143.05621	2.1
143.08598	0.7
145.10185	1.0
147.04419	0.9
147.11678	1.1
149.13161	0.5
151.07536	4.9
153.01944	0.5
157.10211	0.5
161.05957	0.4
161.09584	0.6
165.09151	1.3
167.07019	2.7
175.03929	1.5
175.07512	0.7
177.05630	0.5
177.09103	1.0
185.13031	0.6
187.07684	0.5
187.11215	0.5
191.07098	0.5
191.10664	1.7
193.08701	0.6
195.13539	2.6
199.02364	0.6
205.12263	0.6
207.06573	2.8
223.13062	0.9
237.14651	0.5
271.00607	1.6
281.10220	0.6
287.05576	0.7
299.00189	1.9
340.02750	3.3
347.07532	0.6
351.11914	0.5
357.18765	8.7
383.14941	0.6
399.19870	40.2
400.20377	1.0
443.18884	100.0
444.19138	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.6
68.05013	1.0
69.03426	1.8
70.06589	62.8
71.58576	1.2
71.59061	1.5
84.08144	1.3
85.02910	1.5
95.04956	1.3
98.09699	4.6
102.88061	1.1
111.04446	1.1
114.05526	7.7
116.07087	100.0
117.03409	1.3
122.06008	2.3
127.03891	1.1
135.04399	2.5
136.07552	2.7
137.06021	1.1
138.68921	1.0
143.44914	1.1
145.02827	1.0
147.04391	2.5
163.03903	10.4
164.04211	2.1
164.07095	1.6
165.06989	2.0
167.08601	3.7
173.01775	0.9
177.07025	2.7
178.05023	1.1
178.07770	3.9
179.08644	2.0
181.10138	1.4
182.08138	1.1
191.08545	17.8
193.10136	3.3
195.08083	3.7
202.07736	2.2
203.08472	2.9
205.06335	1.2
207.08136	2.1
208.08757	1.3
209.09595	2.3
219.08017	18.2
221.09592	4.5
223.07535	1.2
236.10695	10.1
237.09042	1.2
238.12242	7.6
240.10133	8.3
241.39973	1.0
247.07446	1.3
253.13370	36.7
254.11795	9.2
282.11273	8.9
299.13885	68.0
302.58463	1.0
362.13852	3.7
379.16504	15.3
386.71680	1.0
396.19122	2.3
408.14429	1.7
425.17068	10.1
427.75928	1.1
442.19919	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	443.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	2.7
55.04250	2.4
56.96558	2.2
63.70839	0.7
69.03426	2.2
69.90694	5.0
70.06594	1.5
71.04993	0.8
73.02911	0.7
81.03397	0.8
81.04540	19.5
82.05330	7.5
85.02922	4.3
97.02882	1.4
98.97590	3.9
99.04501	0.8
101.07135	1.0
116.59979	0.8
116.98643	2.9
122.07158	100.0
122.28376	0.9
123.07941	89.8
134.99670	3.5
135.04407	1.7
137.06071	1.2
139.03912	1.1
143.05627	2.9
144.04778	1.1
145.02823	1.1
147.04378	3.1
158.99628	1.3
160.04315	1.9
161.03047	0.9
163.03902	3.4
165.07748	4.7
172.04242	1.1
177.00726	3.5
219.01819	1.1
237.02777	0.9
245.05234	1.0
281.10687	60.0
282.10986	0.9
412.92175	1.0
433.51492	0.9
435.85950	0.9
443.16006	76.7
444.16272	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	442.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01877	7.2
57.03432	12.5
59.04988	3.7
60.68512	1.4
61.02909	6.4
62.76523	1.6
68.99787	2.5
69.03078	2.2
69.03427	32.3
69.28477	1.4
69.28925	4.3
69.29337	12.9
71.05001	7.6
71.08628	54.5
71.47063	1.5
73.02904	6.2
77.42328	1.5
78.63167	1.3
79.05508	3.7
79.14581	1.4
81.02982	2.4
81.03419	30.8
81.07069	16.6
83.04944	2.5
85.02905	86.3
85.06548	3.4
85.31721	1.4
86.09690	2.2
87.00835	37.2
88.95411	1.4
91.03926	2.4
95.87198	1.5
97.02283	2.3
97.02893	30.2
98.21567	2.8
99.04451	12.0
99.08086	25.2
99.21017	1.5
105.01857	38.9
109.02881	28.2
109.06504	17.0
117.01817	2.1
117.09129	61.6
123.02766	1.5
127.03915	66.7
127.07503	2.0
129.01762	3.4
141.09100	100.0
145.04956	22.3
145.08594	4.4
147.02904	2.6
159.02892	13.0
159.10190	19.4
177.11217	46.8
187.09641	2.9
189.03914	1.8
213.03928	2.3
231.05022	16.8
234.39528	1.5
243.12321	2.8
267.12302	4.3
317.43387	1.6
371.13434	1.9
389.14697	2.2
407.42935	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.4
53.03940	6.0
53.62268	1.4
55.01869	9.7
57.03428	10.7
61.02916	6.8
63.50620	1.4
69.03429	30.8
71.04985	10.0
71.08624	15.3
73.02910	6.3
79.05429	1.6
81.02994	1.3
81.03415	29.9
81.07043	8.9
83.04964	3.2
85.02901	84.6
85.06548	4.3
86.09712	1.8
87.00826	39.5
87.15637	1.6
91.05481	1.8
97.02891	31.1
99.04448	16.1
99.08093	16.7
105.01859	36.4
109.02878	27.8
109.06532	7.1
115.07585	4.4
117.01831	3.1
117.09122	100.0
120.08158	2.0
123.02876	1.7
127.03909	67.5
127.07534	4.0
128.04294	1.7
129.01872	3.5
137.06000	1.5
141.09091	23.4
143.05656	2.1
143.75259	1.6
145.03893	2.9
145.04948	23.0
145.08594	7.5
145.10204	1.4
147.02893	2.3
159.02887	12.1
159.10162	10.2
173.11731	1.8
176.23325	2.1
177.09663	2.0
177.11215	34.7
177.12682	2.6
187.09717	7.0
189.03917	1.6
213.03854	2.8
231.04980	19.7
243.12291	3.3
249.06026	3.6
267.12317	4.2
268.53009	1.4
274.45840	1.3
345.15216	3.6
371.13290	5.6
389.14514	7.5
407.15469	3.5
442.20142	1.5
469.28360	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05508	10.6
57.07076	5.2
67.05499	18.7
69.07072	23.6
71.04977	7.3
79.05501	15.8
81.07058	40.0
83.08613	10.3
85.06538	3.7
91.05478	17.2
93.07039	41.4
95.08610	79.4
97.06537	3.2
97.10178	7.1
99.08080	3.6
105.07024	38.3
107.08592	73.3
107.09295	3.8
109.06516	3.9
109.10161	38.0
111.11709	4.0
119.08581	55.2
121.10138	72.3
123.11678	13.7
127.05402	2.7
129.07036	2.8
130.93242	2.6
131.08565	5.7
133.10139	51.5
135.11702	44.1
137.13229	8.3
137.58824	2.8
145.10101	13.0
147.11694	41.9
149.13268	24.1
157.10164	3.5
159.11696	13.6
161.13271	24.6
163.11197	5.2
163.14809	16.4
171.11661	2.9
173.13264	8.6
175.14822	31.4
177.16376	77.6
185.13170	3.2
187.14832	14.9
189.16345	31.9
191.17918	21.1
195.17528	3.2
199.14816	4.5
201.16319	15.2
203.17949	100.0
205.19551	4.3
207.17433	2.9
213.16426	6.1
215.17923	13.9
217.19611	19.7
219.17447	6.1
221.19269	3.0
223.16890	6.9
224.83369	2.5
227.18007	6.2
229.19548	8.7
231.21162	3.0
233.19022	41.4
251.20197	3.2
265.21747	3.3
278.71957	3.1
405.35278	18.9
422.43219	2.6
423.36340	24.4
441.37326	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05499	11.8
57.07071	5.7
67.05498	20.8
68.75192	3.5
69.07067	22.7
71.61324	5.3
79.05482	10.5
81.07057	64.8
83.08605	9.0
91.05471	8.0
93.07036	15.6
95.08611	100.0
97.06509	5.6
97.10159	6.9
103.70219	3.6
105.07014	15.2
107.08595	35.1
109.10157	37.1
119.08578	18.1
121.10131	33.6
123.08069	4.6
123.11685	26.1
131.08594	6.6
133.10123	12.9
135.11707	25.1
137.13249	46.7
143.08551	4.0
145.10139	11.9
147.10681	3.5
147.11636	19.9
148.03700	3.7
149.13272	11.8
151.11171	5.2
151.14815	4.6
159.11697	12.9
161.13249	11.3
163.14813	10.1
173.13298	6.0
175.14861	10.7
177.16371	9.9
179.17982	4.7
185.13179	4.0
187.14848	10.0
189.16406	11.6
191.17947	9.7
201.12704	3.7
201.16330	9.1
203.17972	10.8
205.19493	4.6
209.64471	3.5
215.17995	11.5
217.19550	4.1
219.17511	4.6
225.16325	3.6
229.19514	3.7
231.17241	3.5
243.17383	3.6
245.19023	4.7
248.03523	3.9
261.18500	5.4
282.33871	3.1
405.35184	5.5
423.36069	24.1
441.37280	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	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03928	3.0
55.05508	15.9
57.07062	3.4
67.05504	19.5
69.07066	23.4
70.72355	2.2
70.86103	7.1
79.05493	16.6
81.07053	55.4
83.08627	11.3
85.06542	3.5
91.05486	9.6
93.07040	43.0
93.64520	1.9
95.04927	2.9
95.08602	77.7
97.06548	12.8
97.10169	6.8
105.07021	23.7
107.08587	58.4
107.44624	2.1
109.06510	6.0
109.10152	59.0
111.08076	2.8
111.11720	7.4
117.06991	3.7
119.08582	33.7
120.92886	2.1
121.10143	56.5
121.11021	2.8
123.08089	8.9
123.11688	17.2
131.08575	12.4
133.10135	38.6
135.08040	2.4
135.11685	25.3
137.13263	7.6
143.08522	4.0
145.10147	14.8
145.39890	1.9
147.11668	26.1
149.09605	2.2
149.13217	15.6
157.10135	3.9
159.11694	16.0
161.13278	17.4
163.14819	10.8
165.12750	2.0
171.11774	3.4
173.13216	11.2
175.14851	16.7
177.16394	36.1
179.17883	2.0
185.13300	4.0
187.14830	11.7
189.16371	10.9
191.17900	6.5
193.15881	21.8
199.14813	4.6
201.16365	19.4
203.17949	56.4
203.19733	3.8
205.15930	7.5
213.16364	6.6
215.17964	16.6
217.19513	7.1
219.17496	4.0
227.17958	4.4
229.19504	25.0
231.21078	17.2
233.19011	9.2
239.18117	2.6
241.19690	3.4
243.21158	2.7
247.20615	8.6
255.21228	2.6
269.22836	2.9
281.95563	2.2
295.24216	7.4
296.40149	2.2
299.23788	2.0
301.25348	2.5
309.25766	8.2
313.25174	2.1
321.25812	2.7
327.26746	4.5
331.26315	3.3
405.35135	48.4
406.35172	3.0
423.36209	100.0
424.36609	6.3
441.37302	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05508	16.9
57.07066	4.3
63.61215	2.2
65.47433	2.0
67.05505	23.3
67.88976	2.1
68.51583	2.1
69.06715	3.1
69.07068	32.8
70.66544	4.9
70.66904	5.7
76.38017	2.2
79.05489	17.2
81.07053	62.5
83.08609	12.6
91.05493	13.4
93.07034	35.4
94.86243	2.2
95.04943	2.6
95.08604	95.0
97.06538	9.7
97.10162	8.6
105.07019	28.3
107.08597	71.0
107.09299	5.1
108.08965	2.7
109.06518	6.8
109.10151	61.6
110.10503	2.8
111.08076	4.3
111.11710	9.4
117.07018	5.1
119.08574	37.2
121.10143	53.6
123.08066	7.3
123.11702	23.1
127.11176	3.2
131.08559	8.9
133.10118	46.6
135.11690	33.9
137.13272	10.9
143.08540	5.6
145.10075	13.1
147.11661	23.8
148.12012	3.2
149.09633	3.5
149.13261	17.3
151.11168	2.4
157.10124	4.9
157.37714	2.3
159.11720	15.0
161.13306	17.6
163.14784	11.7
171.11687	5.1
173.13277	12.7
175.14839	14.2
177.16385	35.1
183.11734	4.1
185.13243	3.0
186.58272	2.4
187.14819	18.3
189.16380	9.0
191.17944	10.4
193.15866	15.6
194.88997	2.4
199.14944	4.7
201.16385	16.2
203.17943	56.3
205.15894	3.6
207.17534	3.0
211.30562	2.6
213.16389	5.7
215.17906	16.2
217.19492	8.3
219.17503	8.4
227.17810	6.3
229.19563	18.0
231.21030	13.2
233.19084	5.2
241.19543	2.8
247.20560	5.6
253.19667	3.3
255.21155	2.7
267.21054	4.5
269.22598	3.6
287.23859	2.5
295.24170	6.8
301.25284	2.6
309.25812	9.0
313.25360	4.9
327.26810	4.4
331.26257	3.9
345.28207	2.5
368.80289	2.8
384.64682	2.5
405.35172	42.6
423.36203	100.0
424.36646	6.9
441.37283	83.4
442.37762	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3726
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05496	4.3
64.92015	1.8
67.05498	7.6
69.07053	6.3
71.60966	3.2
74.71164	1.8
79.05495	6.7
81.07051	16.2
83.08617	2.8
83.64998	2.1
85.06568	2.9
88.41991	2.1
91.05470	6.5
93.07038	15.6
95.08601	24.5
105.07041	12.5
107.08594	26.5
109.06515	4.0
109.10139	18.3
111.08107	2.2
119.08574	18.2
121.10134	21.9
123.11701	8.9
131.08577	3.5
133.10126	53.1
135.11688	20.7
137.13242	2.6
144.60042	2.1
145.10095	10.2
147.11679	13.4
149.13295	8.0
157.10110	3.0
159.11652	17.7
161.13261	12.5
163.11284	2.9
163.14807	7.2
163.28983	1.9
171.11768	2.8
172.12413	2.6
173.13284	10.3
175.14835	9.0
177.12808	2.7
177.16371	9.1
179.14316	2.2
185.13367	2.8
185.78152	1.9
187.14822	10.9
189.16411	12.4
191.17946	10.0
201.16415	9.4
203.18013	10.0
205.15891	2.4
207.17435	5.4
213.16449	3.5
215.17934	10.0
217.19580	2.3
219.17444	5.5
229.19571	4.7
233.19063	8.5
283.24255	3.2
294.29547	2.5
297.25974	2.6
353.66998	2.2
405.35318	3.6
423.36325	16.2
441.37305	100.0
442.37500	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3723
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05501	2.3
57.07066	1.4
58.61003	1.0
61.91740	0.8
63.73244	0.8
67.05479	2.9
69.07073	5.9
71.03747	1.6
71.04989	0.9
73.11771	0.8
79.05479	2.7
81.07053	7.7
83.04969	2.6
83.08611	3.4
91.05500	1.3
92.21400	0.9
93.07040	4.4
95.08054	1.2
95.08610	13.3
97.06502	0.9
97.10139	1.0
105.07034	4.6
107.08588	9.6
109.10151	7.8
119.08589	5.3
121.10133	8.2
123.08077	1.4
123.11684	5.2
125.13301	1.6
131.08591	2.0
133.10167	4.7
135.08035	4.2
135.11711	6.0
137.09630	1.7
137.13240	3.9
143.71307	0.9
145.10095	2.0
147.11679	3.8
149.09627	10.2
149.13248	3.2
151.11116	1.2
159.11668	1.8
161.09593	1.1
161.13255	1.8
163.11261	1.2
163.14830	1.7
173.13260	1.8
175.14763	1.4
177.16333	1.7
187.14841	2.0
189.16391	3.6
191.17937	1.5
201.16377	1.2
215.17805	1.4
220.19728	0.9
233.19043	2.4
235.16940	2.6
252.47676	0.9
269.04208	0.8
270.00818	0.8
287.23553	4.2
441.37259	100.0
442.37686	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	441.3731
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05506	19.0
57.07065	21.2
64.14314	7.5
67.05521	17.6
69.07064	41.2
69.62692	31.5
69.63112	25.2
71.08614	11.5
78.33478	7.5
79.05492	8.4
81.06641	7.1
81.07040	45.7
83.08613	23.1
85.10159	8.5
93.07035	22.3
95.08606	100.0
97.10139	9.2
101.01682	9.9
105.07007	19.1
107.08598	49.5
109.10159	57.3
111.11729	11.1
119.08578	35.9
120.74628	7.5
121.10178	41.8
123.11685	35.8
126.57963	7.6
131.08577	16.2
133.10118	32.3
135.11687	21.3
140.45656	7.8
145.10091	16.3
147.11685	19.0
149.13243	22.8
159.11679	16.9
161.13272	13.0
163.14853	12.3
173.13255	13.9
175.14818	16.7
187.14867	17.6
189.16373	14.6
191.17918	23.8
198.39294	7.5
203.17990	10.2
205.19489	19.1
214.06927	7.5
215.17859	10.8
217.19652	9.6
229.19624	9.5
231.21136	9.9
235.16931	16.2
277.82242	8.5
358.69482	8.6
402.17944	8.5
405.35208	47.4
412.73975	8.9
423.36270	46.3
441.37393	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10159	1.4
50.23251	1.6
50.31896	1.4
53.03947	2.1
55.01859	5.2
55.05512	16.1
56.96555	7.0
57.03415	3.5
59.61586	1.5
60.14272	1.4
63.07557	1.4
65.03947	2.2
67.05504	23.3
69.03414	5.8
69.07063	7.5
71.04968	1.9
71.61295	2.5
79.05491	22.7
81.03395	2.8
81.07061	24.6
83.04984	3.3
83.08608	7.8
85.02888	5.1
85.06544	2.4
91.03963	1.7
91.05477	20.2
93.07047	12.5
95.04974	4.2
95.08606	20.8
97.02911	3.1
97.06512	3.7
97.10173	7.5
98.97572	5.2
101.87246	1.4
103.05482	3.0
105.07021	16.2
107.04953	6.3
107.08593	16.2
109.02856	3.0
109.06486	2.9
109.10155	12.8
111.04448	1.9
111.08060	1.9
115.05464	5.7
116.98621	8.8
117.07008	7.2
119.04931	2.3
119.08569	9.4
121.06478	11.7
121.10142	6.4
123.08056	4.6
123.11700	2.0
125.09628	4.9
127.03923	3.6
128.06213	5.6
129.07004	15.8
131.04922	14.0
131.08540	11.9
133.06483	6.9
133.10139	5.4
134.99655	4.6
135.08005	3.6
135.11662	2.4
141.06966	6.9
143.08554	14.5
144.05705	6.8
145.06480	96.6
145.10112	4.4
147.04398	2.2
147.08017	7.5
147.11681	2.3
149.09644	3.0
149.13261	2.9
151.07477	3.9
155.08574	8.3
157.06491	12.6
157.10123	4.6
158.99692	2.3
159.08078	13.5
159.11678	3.5
161.01183	3.0
161.05965	10.9
161.09599	2.3
162.23831	1.6
165.06966	3.0
165.09148	12.4
167.07053	4.3
167.08517	4.8
169.06499	10.1
169.10132	7.8
170.07294	2.1
171.08067	19.7
171.11685	3.9
173.09697	1.9
173.13315	1.8
175.85373	1.7
177.00685	6.2
177.05515	3.8
179.08629	1.9
180.09296	1.9
181.06482	3.3
181.10112	4.0
183.08009	9.1
183.11740	2.8
184.08844	2.0
185.09648	11.3
187.14854	1.8
192.98050	2.8
193.04857	4.5
193.08595	2.9
193.10236	2.6
193.12244	1.8
195.08032	8.1
195.11699	11.4
197.01260	2.5
197.09636	6.8
197.13261	4.8
199.11209	2.6
201.12631	1.4
205.10193	1.9
209.09618	4.9
209.13313	2.1
210.99126	21.7
211.11201	6.3
213.12761	4.4
219.01749	3.7
223.11189	5.2
223.14799	1.8
225.12756	6.8
227.14339	12.7
229.00180	7.0
235.11145	5.0
237.02776	3.7
237.12732	11.9
239.14195	2.7
243.13962	1.8
253.15804	2.0
255.13799	14.3
257.65521	1.6
259.01077	2.0
261.02878	2.7
273.14841	41.0
281.15347	4.5
283.17044	3.4
287.16531	2.6
295.16910	2.9
299.16357	3.3
307.16769	2.0
308.59378	1.7
309.47568	1.9
311.16409	5.8
311.19885	1.6
321.22168	3.3
325.18042	3.3
331.20456	2.3
337.02246	5.0
339.23087	7.6
349.21613	35.9
355.03345	5.0
355.14072	4.8
361.02380	2.2
367.22672	67.8
368.22958	2.7
373.04373	3.5
377.24689	3.7
385.23676	9.7
387.23187	3.7
405.24066	14.6
423.24875	7.3
441.26328	100.0
442.26401	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	441.2459
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
53.11139	0.3
55.04258	0.3
55.05489	0.6
57.03432	0.4
61.02923	0.5
67.05502	1.4
69.03424	1.7
69.07061	0.7
70.06580	0.8
71.04991	0.7
71.60989	0.4
72.08149	0.4
79.05495	1.1
81.03418	1.0
81.07046	1.6
83.04948	0.4
83.08615	0.4
84.08150	0.5
85.02916	1.2
85.06562	0.5
86.09708	0.6
90.72851	0.4
91.05471	0.9
93.07046	1.5
95.04974	0.9
95.08601	1.3
95.39074	0.3
97.02883	0.8
97.06522	0.5
98.97567	0.4
99.04447	0.6
105.07025	1.4
107.08588	1.4
109.02869	0.6
109.06519	0.8
109.10139	1.4
116.98579	0.5
117.03359	0.6
117.06996	0.7
119.04938	0.6
119.08558	1.4
121.06522	0.4
121.10133	0.8
122.06052	0.7
123.04439	0.5
123.08012	0.5
127.03921	0.8
133.02853	0.4
133.10074	0.8
135.08035	0.6
135.11688	0.8
137.05928	0.8
137.09602	0.5
143.05656	1.5
143.08557	0.6
145.10138	0.7
147.04341	0.5
149.09529	0.7
151.07520	1.0
159.11760	0.7
163.03885	0.8
165.09108	0.7
167.03503	0.4
167.07021	1.0
167.08438	0.4
170.15344	0.4
175.03932	0.9
175.11281	0.5
175.14832	0.4
177.05449	0.4
191.10730	0.4
191.14281	0.4
193.05061	0.6
203.05235	3.3
207.06506	0.7
208.68112	0.4
215.10696	0.4
217.15822	0.4
225.15671	0.3
225.96785	0.4
259.17563	0.3
261.18356	1.3
266.19492	0.3
279.15881	0.4
279.19220	0.7
322.69247	0.4
423.24289	0.5
441.24615	100.0
442.25018	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11139	0.3
55.04258	0.3
55.05489	0.6
57.03432	0.4
61.02923	0.5
67.05502	1.4
69.03424	1.7
69.07061	0.7
70.06580	0.8
71.04991	0.7
71.60989	0.4
72.08149	0.4
79.05495	1.1
81.03418	1.0
81.07046	1.6
83.04948	0.4
83.08615	0.4
84.08150	0.5
85.02916	1.2
85.06562	0.5
86.09708	0.6
90.72851	0.4
91.05471	0.9
93.07046	1.5
95.04974	0.9
95.08601	1.3
95.39074	0.3
97.02883	0.8
97.06522	0.5
98.97567	0.4
99.04447	0.6
105.07025	1.4
107.08588	1.4
109.02869	0.6
109.06519	0.8
109.10139	1.4
116.98579	0.5
117.03359	0.6
117.06996	0.7
119.04938	0.6
119.08558	1.4
121.06522	0.4
121.10133	0.8
122.06052	0.7
123.04439	0.5
123.08012	0.5
127.03921	0.8
133.02853	0.4
133.10074	0.8
135.08035	0.6
135.11688	0.8
137.05928	0.8
137.09602	0.5
143.05656	1.5
143.08557	0.6
145.10138	0.7
147.04341	0.5
149.09529	0.7
151.07520	1.0
159.11760	0.7
163.03885	0.8
165.09108	0.7
167.03503	0.4
167.07021	1.0
167.08438	0.4
170.15344	0.4
175.03932	0.9
175.11281	0.5
175.14832	0.4
177.05449	0.4
191.10730	0.4
191.14281	0.4
193.05061	0.6
203.05235	3.3
207.06506	0.7
208.68112	0.4
215.10696	0.4
217.15822	0.4
225.15671	0.3
225.96785	0.4
259.17563	0.3
261.18356	1.3
266.19492	0.3
279.15881	0.4
279.19220	0.7
322.69247	0.4
423.24289	0.5
441.24615	100.0
442.25018	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55230	0.4
55.01865	0.7
55.05503	0.7
61.02913	0.5
67.05493	1.8
69.03413	1.4
69.07065	1.1
70.80297	0.4
70.80640	1.5
73.02901	0.6
79.05488	0.9
81.03415	1.3
81.07045	3.1
83.04955	1.0
84.08148	0.7
85.02906	1.1
85.06522	0.5
91.05489	2.0
93.07047	1.8
94.06570	0.7
95.04966	0.8
95.08595	1.8
97.02882	0.7
97.06551	0.7
97.10166	0.7
99.04501	0.5
105.07027	1.6
107.08600	1.7
107.61635	0.4
109.06521	0.9
109.10151	1.7
111.08162	0.5
111.09942	0.5
117.03326	0.4
117.07027	0.5
117.82988	0.4
119.04910	0.9
119.08543	1.1
121.06576	0.6
121.10149	1.1
122.06049	1.5
123.11700	0.9
124.07555	0.7
127.03920	1.1
131.04904	0.5
131.08543	0.6
133.10103	0.6
135.08121	0.7
135.11653	0.6
137.05969	0.6
137.09619	1.9
143.05682	0.9
145.06534	0.5
145.10208	0.7
147.04417	1.1
147.11705	0.9
151.07538	1.3
159.11700	0.8
161.05847	0.7
163.03937	0.6
163.11156	0.6
165.09090	0.7
167.07068	1.0
175.11278	0.8
177.05379	0.5
178.05783	0.5
193.04935	1.2
193.15919	1.2
207.06554	0.7
216.89330	0.5
239.14465	0.5
279.19327	0.6
315.13504	0.8
316.13828	2.1
348.60712	0.5
358.98239	0.5
382.44012	0.5
441.24619	100.0
442.25095	4.4
467.50357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1909
Annotation	Dorsmanin G
Peak:m/z	Relative Intensity
53.03954	0.8
55.01855	0.6
55.05510	1.6
55.78537	0.6
57.03437	0.7
61.02922	0.9
62.10881	0.5
62.38800	0.6
65.03949	3.8
67.05502	5.5
67.42480	0.6
69.03424	1.6
69.07063	2.6
71.04996	0.7
71.61041	0.5
74.81115	0.7
79.05489	4.4
81.03392	0.9
81.07059	5.1
83.04974	1.2
83.08604	0.9
83.87802	0.6
85.02913	0.7
85.06544	0.7
89.03912	1.4
91.05487	4.7
93.03397	2.5
93.07023	3.6
95.01333	0.8
95.04958	2.3
95.08601	3.9
97.02915	0.9
99.04449	0.7
103.05463	0.8
105.07025	5.7
107.04936	1.5
107.08595	7.3
109.06534	1.1
109.10160	4.5
111.04440	0.9
115.05458	1.1
117.03381	2.0
117.07005	0.7
119.04911	1.0
119.08585	3.4
121.02827	2.8
121.06532	0.8
121.10119	3.4
121.21073	0.5
123.04414	1.0
123.08078	1.0
123.11703	1.1
125.09621	1.1
127.03904	0.7
128.06219	1.1
129.06979	1.9
131.01305	3.9
131.08553	2.2
133.06425	0.8
133.10117	4.5
135.04416	3.7
135.11703	1.1
137.02357	1.5
137.05928	1.3
137.09608	1.0
143.08553	1.9
145.02831	3.1
145.06474	1.5
145.10126	1.3
146.49620	0.6
147.04437	1.2
147.11699	1.3
149.01152	0.9
149.02336	18.6
149.09634	1.2
151.03885	0.8
151.07581	0.8
155.08557	0.7
157.10095	0.9
159.11577	0.8
161.09634	0.6
163.03908	22.3
163.07565	0.8
165.01930	0.6
165.09097	4.8
167.03404	100.0
168.03813	0.9
168.93474	0.6
175.03906	2.4
177.05481	1.7
179.03246	0.7
186.46069	0.6
187.03949	1.2
189.05440	2.4
191.03625	0.6
193.05052	0.8
193.08731	0.8
199.04008	0.7
201.05511	1.3
205.04974	1.7
213.05438	6.6
227.07063	8.1
231.06558	4.8
241.08650	0.7
267.06494	1.7
269.09000	1.1
269.11725	14.5
285.07565	30.6
287.12805	5.7
299.09027	1.0
305.14008	0.9
311.09158	0.6
323.09152	1.5
330.07382	1.0
349.10767	1.3
363.12244	2.7
367.11636	1.1
367.22760	0.8
387.15793	0.6
405.16901	13.5
423.18250	2.8
441.28275	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	441.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16009	0.3
55.16307	0.3
58.11584	0.3
60.72595	0.3
69.07059	0.4
70.06587	1.1
70.41187	1.4
79.05489	0.5
81.03368	0.5
81.07057	1.4
84.27378	0.4
85.02860	0.4
89.36162	0.3
91.05486	0.5
93.07073	0.8
95.08589	0.4
97.06541	0.5
107.08618	0.7
109.10144	0.7
112.07494	0.4
133.10190	0.4
135.11703	0.6
143.05647	0.7
145.10179	0.3
147.11591	0.4
153.12758	0.4
159.08096	0.4
175.10913	0.7
177.05539	0.4
185.04211	0.9
193.12048	2.5
198.70575	0.4
201.03763	0.5
203.05249	1.9
221.11415	0.4
227.05333	0.4
235.13071	0.5
245.06297	3.7
249.44632	0.4
263.19876	1.6
271.04578	0.4
277.82358	0.4
289.05261	3.8
355.17291	9.0
393.54251	0.3
397.18362	33.4
398.18646	1.3
441.17392	100.0
441.24411	12.0
442.17538	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.9
56.96571	2.2
57.62578	0.9
65.23338	1.0
69.03431	1.8
70.06594	2.4
70.28398	2.9
85.02898	2.9
90.30049	0.8
91.05485	1.3
98.97575	2.2
109.02889	1.6
111.04455	0.9
116.98676	0.9
127.03854	1.1
128.98589	1.3
134.99664	1.9
135.04402	1.8
143.05641	6.5
145.07600	15.2
145.70079	1.0
147.04459	2.8
161.01294	1.0
163.03900	2.7
163.08670	3.5
163.09883	1.0
177.01793	1.3
177.05435	1.5
181.31163	0.9
192.03934	19.1
193.04694	8.6
193.06056	0.9
201.62848	0.8
219.01747	1.9
227.05336	2.7
232.04095	1.1
232.13512	0.9
237.02783	1.9
253.05594	1.3
261.02899	1.0
271.04263	3.1
271.06763	1.6
321.05042	1.3
340.06509	1.1
355.10007	5.2
397.11060	38.2
398.11285	1.6
441.10019	100.0
441.18835	9.4
442.10297	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	441.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.1
59.06120	2.1
65.03916	1.2
67.05490	0.9
69.03427	1.7
70.06595	8.1
71.04973	0.7
71.59582	0.5
71.59962	0.8
72.08143	2.7
79.05457	1.0
81.03426	0.9
83.04949	1.7
83.06078	0.8
84.04505	1.7
84.08146	1.7
85.02898	1.7
85.07677	1.8
87.09214	1.8
89.03912	1.9
89.06019	0.6
91.05476	1.1
93.03450	0.9
95.04966	1.6
98.97553	1.2
99.04468	0.7
107.04966	1.2
110.06059	0.6
110.07131	0.8
111.04415	1.0
115.05448	0.9
116.07081	0.9
116.98602	0.8
117.03358	2.0
117.83940	0.7
119.04929	0.7
119.49786	0.7
122.06036	0.8
123.04440	3.4
126.05614	0.7
127.03881	0.8
129.05469	0.8
131.04910	0.8
134.99649	0.9
135.04442	5.0
136.07622	1.2
137.05952	0.7
138.05566	1.5
139.03938	1.8
140.07047	0.7
141.05286	0.7
143.05620	2.3
145.02835	2.9
145.06496	1.8
146.05937	0.8
147.04395	4.9
148.04730	1.8
150.05447	0.7
151.03902	0.7
157.04710	1.2
160.07535	0.9
161.01219	0.9
161.05916	0.9
162.02856	1.9
162.05536	2.2
163.03905	18.4
163.05353	1.0
163.05916	1.5
163.07553	1.9
164.07082	1.3
167.07068	0.7
169.04665	1.1
176.07069	1.1
177.02003	0.8
177.05458	2.1
178.04929	0.7
186.05707	0.8
188.07100	0.7
189.05492	1.7
191.03412	0.8
191.06989	0.8
203.03328	0.8
204.06609	1.6
206.08028	1.0
222.07663	1.2
232.06187	0.7
237.00673	0.9
237.02895	2.1
245.04262	0.8
249.12418	1.1
257.04315	0.7
273.04044	1.0
279.09219	0.8
279.13431	0.7
301.09076	0.9
325.09015	1.5
353.06436	0.6
367.38828	0.6
395.17584	0.6
423.06967	0.9
424.16660	0.8
424.43106	0.8
441.13684	100.0
442.14175	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	441.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20639	1.3
56.96563	17.0
69.03427	2.6
70.06588	3.3
71.58497	3.5
84.96039	9.4
85.02914	2.6
93.68085	1.6
98.97586	83.4
110.97572	16.4
116.98623	55.2
128.98611	35.2
131.00223	2.4
134.99670	24.8
140.98598	6.1
143.00198	10.9
145.05005	2.4
146.99663	27.9
147.04425	2.3
149.01160	1.8
158.99637	32.6
161.01230	15.8
161.05965	1.8
165.00748	3.8
170.99641	23.9
173.01289	2.0
177.00720	40.5
179.02234	2.5
182.99652	10.1
189.00714	36.5
192.03986	5.9
193.04855	2.7
195.01765	5.4
201.00710	57.7
201.02615	3.4
207.01784	12.0
213.00691	5.1
219.01776	64.6
231.01788	6.6
237.02789	25.1
243.01761	20.9
260.95175	3.8
261.02817	100.0
273.02777	8.7
279.03885	76.9
291.03827	24.3
297.05038	3.6
309.04865	1.9
321.04916	44.4
322.05310	1.8
333.04837	5.0
351.06049	7.4
368.02420	1.7
381.07132	4.0
397.11038	15.4
399.07983	4.9
441.09723	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01878	7.7
55.05518	10.1
57.03439	19.0
59.04998	2.0
61.02929	15.6
67.05504	4.0
69.03432	36.7
69.07073	54.8
71.01351	6.2
71.04990	3.4
73.02921	86.2
79.05492	2.4
81.03424	7.4
81.07049	4.5
83.04967	1.5
85.02910	100.0
85.06538	1.1
87.04459	4.7
91.03951	3.8
91.05495	1.5
93.07023	3.2
95.04993	1.9
95.08604	2.5
97.02894	60.6
97.06537	1.2
97.67311	1.0
98.21634	1.9
99.04454	5.0
103.03931	3.5
103.17042	1.0
105.07041	1.9
107.04919	1.3
107.08609	1.8
109.02889	9.3
109.10172	1.5
111.04436	1.6
111.11728	22.2
115.03942	29.1
115.04754	1.7
119.08542	0.9
121.10131	1.7
123.11720	2.1
127.03925	33.3
132.06557	1.3
133.04977	33.4
133.06003	1.8
133.10158	2.0
137.05995	1.3
143.05655	2.0
145.04962	39.6
145.95549	1.1
150.07635	1.6
157.04921	1.8
163.06027	20.9
169.04941	1.8
180.08722	1.3
181.04915	1.0
182.85371	1.1
188.55963	1.0
193.04976	3.3
199.05937	2.5
207.06534	1.2
207.13811	2.9
223.05974	7.3
225.14813	1.7
237.15038	1.4
241.07080	10.2
243.16011	2.4
243.67436	1.1
259.08133	10.4
267.67575	1.1
273.17044	1.2
295.10339	1.4
315.04926	1.3
349.22580	1.3
440.23407	3.7
440.33902	1.0
441.16870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.05513	11.4
57.07074	3.7
57.85210	0.8
67.05503	12.5
69.07069	17.0
70.94321	1.0
70.94667	2.1
78.94401	0.9
79.05491	8.3
81.07061	26.6
83.08625	8.6
90.11918	0.9
91.05475	9.7
93.07043	23.6
95.08607	55.1
96.54616	0.9
97.10170	6.8
103.05496	1.1
105.07038	27.3
107.08595	42.1
109.10157	35.7
109.10922	1.2
111.11739	2.1
117.07078	1.1
119.08582	48.3
121.10143	35.3
123.08117	1.1
123.11726	14.6
131.08563	3.3
133.10132	36.7
135.11696	24.6
137.13275	5.2
139.07542	1.9
145.10106	5.7
147.11688	35.8
149.13248	17.7
153.09103	7.0
159.11711	4.4
160.12479	2.0
161.13266	20.1
163.14822	12.1
167.10724	3.6
173.13287	4.3
175.14832	11.4
177.16368	8.6
179.10706	2.6
187.14842	4.4
189.16382	54.8
190.16830	1.3
191.17950	63.3
199.14746	1.2
201.16360	14.4
203.17964	100.0
205.19524	17.2
207.13841	1.3
207.17464	1.3
213.16449	1.4
215.17862	5.7
217.15927	1.7
217.19482	15.6
221.15480	1.1
221.19048	4.0
223.16972	1.8
227.17896	0.9
228.63100	0.9
229.19542	2.6
231.17418	2.1
231.21071	4.3
235.16960	6.3
243.21164	2.7
245.22749	3.3
247.16986	4.0
249.18491	19.2
255.21159	1.2
257.22592	1.7
261.18607	1.0
266.55365	1.0
269.22495	1.6
276.79056	1.1
301.21704	1.0
315.22836	1.2
343.26883	1.0
393.35236	9.0
439.35715	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	439.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35275	1.0
55.05503	9.5
57.07078	9.5
66.92566	0.9
67.05506	21.7
69.07066	14.7
71.08623	2.1
74.05798	1.1
79.05489	10.9
81.07056	72.7
83.08621	9.3
91.05460	4.7
93.07042	11.4
95.04990	1.2
95.08607	100.0
97.10152	5.4
100.33076	1.1
105.06473	1.0
105.07038	10.2
107.08597	12.3
109.10159	39.2
109.41245	1.0
109.42017	1.0
111.11732	2.2
117.07022	2.1
119.08597	9.3
121.10140	11.3
123.11710	36.1
125.13253	1.5
129.06990	2.4
131.08571	6.9
133.10143	6.1
135.11685	8.3
137.13258	60.3
143.08592	5.6
145.10114	9.2
147.11751	5.2
147.12753	1.1
149.13287	7.3
151.14838	5.3
155.40175	1.0
157.10080	6.3
159.11665	6.8
161.13205	2.6
162.04723	1.1
163.14803	1.4
171.11688	10.6
173.13239	8.3
175.14787	4.4
177.16374	2.3
179.17960	10.5
185.13263	6.7
185.14706	1.0
186.01883	1.0
187.14796	5.2
189.16370	2.3
191.18005	3.2
199.14865	7.9
201.16396	7.1
203.17906	2.3
213.16423	12.6
215.17937	7.1
217.12177	1.6
217.19385	1.3
219.13713	1.3
227.17935	3.4
229.19534	1.6
240.18831	1.4
241.19531	10.1
243.21143	7.1
245.15318	1.5
255.21016	4.7
257.22778	2.3
259.16937	9.3
266.38065	1.0
269.22635	5.3
270.99118	0.9
273.18497	1.4
287.20105	3.3
289.21521	2.1
301.21616	1.9
315.23154	1.4
393.35193	23.5
439.35791	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	438.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.5
56.05035	11.8
56.96556	3.1
57.03431	4.1
58.99589	20.2
60.04528	1.9
61.01138	3.1
65.03949	1.9
65.33036	1.4
67.05489	2.5
68.05030	8.3
69.03418	5.4
69.07063	2.3
70.02940	5.3
70.06577	2.2
70.98932	3.0
70.99292	3.6
71.04975	3.0
72.04506	7.3
73.59084	1.6
74.00669	12.9
74.02438	1.9
76.02230	20.4
76.03999	5.8
79.05508	3.1
80.05030	7.8
81.03425	3.8
81.05795	3.3
82.35367	1.6
83.05019	1.8
83.06087	7.5
84.04505	100.0
84.08128	2.8
85.01131	32.6
85.02887	11.1
85.04049	3.5
86.00648	34.7
86.09709	3.9
86.99052	57.8
87.02689	2.0
88.02204	6.1
89.00591	1.8
91.05461	2.5
92.01678	1.7
94.39658	1.6
95.04964	5.1
96.04481	5.4
97.01114	6.1
97.02866	2.3
97.06535	17.7
98.06039	2.7
98.97585	3.6
99.01420	2.2
99.05630	4.1
100.02187	3.4
102.03750	17.3
102.05542	14.1
107.04929	2.5
108.04484	2.8
109.07646	4.9
111.04436	2.2
112.02184	29.6
112.03974	2.8
112.07619	2.8
113.00600	2.8
113.05993	1.7
114.00076	1.8
114.03747	11.7
114.05506	4.8
116.01674	22.5
119.04935	2.0
123.04411	2.7
124.07556	2.7
127.02130	6.7
127.03867	2.1
129.06586	4.4
130.03239	17.0
130.04996	30.4
135.04436	2.2
135.05525	2.4
137.08324	4.0
139.03885	6.5
140.01648	3.7
142.03217	21.9
142.59204	1.7
143.02728	29.9
144.01154	6.9
145.06117	3.5
147.04417	4.3
153.06612	4.0
155.08176	6.4
156.06537	5.8
158.02710	9.9
160.00560	1.9
162.02179	9.5
163.03836	8.2
168.04863	3.2
168.06471	2.2
169.04283	7.0
170.02699	4.4
170.06352	9.8
171.02226	7.2
172.07835	1.7
173.09215	2.2
175.03943	1.8
177.03273	5.9
179.04851	12.8
181.06094	2.8
184.06126	1.9
187.05344	2.2
188.03770	34.1
188.07379	6.2
189.03279	97.4
196.04277	12.5
205.06451	7.3
206.08450	4.7
215.04851	41.3
217.06447	15.2
224.03784	6.7
231.04236	1.6
232.05116	1.7
233.05888	11.6
236.79182	1.7
243.04311	2.5
257.09586	5.6
262.07416	13.4
269.06039	1.9
273.09131	1.9
284.06805	1.7
287.06952	18.4
291.10062	30.2
305.08154	2.2
309.11194	1.9
315.26013	1.9
317.11639	2.2
345.07559	3.6
345.11267	2.3
362.10181	3.6
420.19913	1.9
438.15289	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.7
57.07047	4.2
67.05500	21.2
69.07061	21.3
70.88983	2.9
71.60888	4.1
71.61259	3.8
79.05497	10.3
80.45632	3.4
81.07053	45.3
83.08640	8.3
91.05463	8.8
93.07034	21.4
95.08605	84.1
105.07022	22.1
107.08590	24.9
109.10143	33.4
117.07056	5.4
119.08581	34.5
121.10136	23.9
123.11707	22.5
131.08565	11.7
133.10117	22.5
135.11707	13.0
137.13263	9.6
143.08521	7.6
145.10132	30.0
147.11690	14.8
149.13284	14.5
151.14761	9.1
155.08546	5.4
157.10139	7.6
157.27597	3.0
159.11644	17.0
161.13290	12.1
163.14836	13.1
169.10136	4.9
171.11728	10.7
173.13271	14.3
175.14830	23.9
177.16389	7.2
183.11702	6.1
185.13248	7.6
187.14807	5.9
189.16380	18.5
191.17969	11.7
191.42216	3.1
197.13315	5.1
199.14810	6.5
201.16373	20.8
203.17995	17.9
213.16423	7.7
215.17958	13.6
217.19560	6.1
225.16495	5.5
227.17920	3.8
229.19656	6.0
239.17967	9.7
241.19432	22.5
243.21069	8.1
247.27644	3.1
253.19450	8.7
255.21193	5.4
259.16776	3.1
262.52313	3.1
267.21115	6.7
269.22675	5.6
285.18561	11.0
287.20068	6.4
295.24179	6.9
299.20111	6.7
313.21548	4.9
335.27298	5.5
349.28772	4.7
363.25858	3.2
391.33481	31.9
437.34146	100.0
438.34387	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	437.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.05502	0.2
56.96561	0.5
69.03423	0.9
70.06596	0.3
71.58884	0.2
71.59322	0.3
75.04482	0.4
81.03408	0.5
83.05996	0.2
84.04493	0.4
85.02917	1.4
87.04456	0.4
87.06715	3.7
89.05993	0.3
89.74034	0.2
97.02917	1.2
98.97597	0.5
99.04443	0.2
105.05498	0.8
109.02903	0.6
113.04607	0.4
113.29430	0.2
116.98591	0.5
127.03905	0.8
134.99643	0.3
135.04369	0.5
139.03902	0.3
141.04091	0.8
142.04869	0.4
143.05644	100.0
143.60986	0.2
144.04077	0.6
144.06050	0.3
145.02853	0.2
145.04997	0.5
159.68993	0.2
161.01201	0.2
161.02940	0.2
163.03918	1.5
165.51958	0.2
177.00719	0.3
185.06621	0.3
221.02979	0.3
298.31079	0.2
437.10126	0.5
437.15689	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	437.1443
Annotation	Pterosupin
Peak:m/z	Relative Intensity
53.03944	1.3
54.64684	0.5
55.01869	0.8
57.03439	0.5
61.02927	0.8
67.01878	0.5
67.05496	0.8
68.99810	0.4
69.03439	1.0
69.07066	0.6
69.86828	1.7
69.87243	1.1
70.06588	0.8
71.04973	0.5
73.02945	0.5
79.05475	1.6
81.03416	1.5
81.07049	0.8
85.02893	3.5
85.06573	0.5
86.09695	1.2
91.05478	1.3
93.07044	1.1
95.04983	2.4
96.32273	0.5
97.02900	0.8
97.06556	0.6
98.21495	0.6
98.97558	0.6
103.03943	0.6
105.07034	1.0
107.04956	100.0
108.05294	1.4
109.02942	1.0
116.98621	0.4
119.04906	0.6
119.08611	0.6
121.02888	0.5
121.06477	0.7
121.10136	0.6
123.04441	2.1
123.08058	0.6
127.03890	1.2
129.17815	0.5
131.04904	0.6
131.08586	1.0
136.06146	0.8
137.05984	1.3
139.03848	2.3
139.10355	0.5
143.05684	1.9
145.06367	0.7
147.04411	1.4
149.06021	1.4
151.03911	4.9
153.01808	0.6
153.05498	0.7
157.06578	0.7
161.41568	0.6
163.03870	2.3
165.05473	0.8
167.07112	1.0
169.04982	1.5
173.06049	0.7
175.03871	1.1
181.04967	4.1
189.05466	1.0
193.04974	6.8
193.08641	0.6
205.04976	2.0
207.06512	2.8
211.06004	5.3
216.73102	0.5
217.04977	0.8
223.38228	0.5
229.05069	1.4
235.06021	6.1
247.06020	3.8
259.06122	2.5
275.09384	2.5
277.07117	1.8
287.09134	5.9
295.08133	0.6
299.09137	4.4
317.10205	6.6
341.10214	9.9
353.10205	8.1
365.10217	5.3
371.11374	0.6
383.11292	2.0
394.51669	0.5
401.12512	1.0
437.13818	0.6
437.21368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70301	0.8
53.03941	1.0
55.05520	2.3
59.04998	1.4
69.03427	1.5
69.07040	2.2
69.40868	4.9
69.41303	4.6
71.04993	11.3
73.06556	3.0
79.05477	2.9
81.07058	15.2
85.02890	3.1
87.00845	1.0
93.07040	11.4
95.04970	0.9
95.08612	1.4
97.02888	2.1
97.06524	1.5
98.71281	0.9
100.11234	1.4
105.01887	2.4
107.08601	7.3
109.10191	2.1
115.61952	1.1
127.03897	2.0
135.11693	19.9
153.12744	100.0
154.13081	1.8
159.64650	1.1
182.15326	2.0
218.03268	1.1
231.04988	1.1
236.73473	1.0
242.79558	1.0
275.31973	0.9
315.03180	1.4
398.47168	1.0
413.92780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
53.23538	4.1
54.17648	5.8
55.01865	6.0
55.05512	7.2
57.03430	4.4
57.07055	6.4
61.02913	9.4
69.03439	43.1
69.07058	15.8
70.17712	22.8
71.04999	30.8
73.02933	6.2
74.07584	4.0
77.55857	4.7
79.05478	11.4
81.03418	26.8
81.07059	25.9
85.02430	7.9
85.02908	100.0
87.00830	52.9
91.05474	18.4
93.07041	31.7
95.04956	8.6
95.08596	13.9
97.02903	67.0
99.04449	13.0
102.23616	4.4
105.01871	50.8
105.07024	12.9
107.08569	26.0
108.21743	5.3
109.02868	26.8
109.06504	16.4
109.10137	15.5
115.03908	5.6
119.08575	20.1
121.06480	11.1
121.10153	5.4
122.79758	4.2
123.86629	4.8
127.03920	56.5
127.11227	5.3
135.11681	39.4
136.54431	4.6
141.77354	4.7
145.05003	28.1
145.10175	5.9
147.11674	5.1
151.11203	6.8
153.05475	9.7
153.12743	95.9
155.08627	5.7
159.02882	11.2
165.12740	14.1
167.07111	7.4
173.09589	14.5
177.05626	5.2
177.12721	11.6
181.04971	5.0
187.84175	4.7
191.10678	6.2
195.13762	8.8
207.13759	5.5
231.04973	15.2
233.15309	5.6
243.13849	8.3
248.21938	4.6
249.06003	6.2
261.14896	13.6
301.76752	4.7
365.16013	7.6
383.16727	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01871	6.4
55.05502	5.4
57.03437	6.0
61.02923	5.4
65.03925	3.3
67.05502	7.8
67.30642	1.8
68.99782	3.9
69.03423	19.7
69.07079	6.8
69.38129	15.8
69.38547	4.8
70.06568	2.8
71.04990	4.7
73.02930	7.0
73.71987	2.1
79.05492	16.8
81.03423	20.9
81.07072	11.3
83.04951	3.9
83.08652	3.0
85.02908	55.6
87.00835	20.5
89.73579	2.0
91.05482	22.7
93.06470	5.0
93.07047	80.6
95.04974	6.4
95.08588	10.5
97.02886	24.2
97.06539	6.1
98.21522	5.0
99.04459	8.7
105.01865	25.5
105.07029	7.6
107.08594	100.0
109.02874	24.9
109.06535	4.8
109.10149	6.0
115.03973	2.4
117.01813	3.0
127.03918	46.4
129.01868	2.4
131.04900	3.2
135.11694	61.9
137.13248	3.5
143.05623	3.2
144.17110	2.6
145.04973	22.2
145.10246	2.6
147.11824	2.4
153.12761	5.0
156.02625	2.2
159.02907	15.7
167.07097	4.4
191.17961	2.1
194.12354	2.3
213.04022	2.4
214.33980	2.1
231.04994	9.1
240.36705	2.2
243.13692	2.2
271.06021	14.0
272.06363	31.8
273.06586	33.1
274.06848	36.5
297.61490	2.3
303.04990	6.3
304.05380	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	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
55.01871	11.2
57.03425	8.4
58.76353	3.7
61.02924	4.5
66.82735	3.7
69.03425	39.5
69.36709	41.4
70.06577	5.1
71.04990	6.0
73.02911	11.7
79.05491	7.0
81.03420	22.3
81.07061	54.8
83.08617	9.3
85.02909	100.0
85.06543	7.1
87.00829	54.5
91.05470	13.0
92.28559	4.3
93.07056	24.6
93.89574	4.3
95.08602	15.6
97.02892	64.2
99.04469	15.6
105.01859	72.9
105.07029	6.2
107.08614	21.5
109.02876	22.3
127.03922	73.7
135.11729	20.1
137.06065	3.9
137.13248	14.8
145.04968	43.4
147.02841	4.3
153.12810	7.3
154.04971	4.3
159.02950	17.7
161.04517	5.5
167.07051	11.6
168.07527	5.3
181.04921	9.5
213.03790	6.6
231.04909	26.1
245.07935	4.0
249.06047	10.6
250.11290	5.0
277.05276	4.2
277.08249	4.0
303.04935	9.3
304.05206	32.1
437.13934	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	436.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01868	1.6
55.05515	2.1
56.05031	1.2
56.96557	2.2
57.03430	3.4
60.04522	1.5
61.02920	1.5
67.05481	2.2
69.03435	13.1
69.07043	1.0
70.06598	5.2
70.99596	1.4
70.99931	2.3
71.04999	23.7
72.08173	1.8
73.02914	2.3
74.33681	1.1
80.33900	0.9
81.03414	8.8
83.04972	6.1
84.04514	5.5
84.08129	3.2
84.47980	1.0
85.02905	21.2
86.09691	4.6
87.00951	1.0
89.03897	2.9
89.06033	100.0
91.05479	2.5
95.04974	2.0
97.02895	46.3
98.06112	1.6
99.04462	6.9
102.05530	1.4
103.03960	8.3
103.05482	1.0
107.04957	2.2
108.04448	1.8
108.88835	0.9
109.02880	12.0
109.64423	1.1
110.43440	1.0
111.04437	7.4
115.05467	1.5
116.98524	1.0
117.03371	2.9
117.05532	1.8
119.04954	3.7
120.08122	1.4
121.02806	1.3
123.04411	6.9
124.07585	3.4
126.05455	1.7
127.03912	17.9
129.05481	2.4
131.04921	1.7
133.02843	2.5
135.04424	6.1
135.06522	6.8
137.05933	3.0
138.05495	3.1
139.03882	4.3
141.05438	2.8
143.05652	1.1
145.02829	3.6
145.04962	11.9
147.04396	9.2
149.06010	1.2
151.03902	1.0
153.05518	1.3
156.10159	2.0
159.04399	1.2
161.06006	1.4
163.03917	17.9
164.04282	1.9
165.05475	4.0
167.07054	3.6
169.13133	1.1
173.08107	3.5
175.03900	2.6
175.06146	1.9
176.07005	1.9
177.05495	4.6
177.07576	2.1
183.06424	1.1
189.05574	2.3
191.06923	1.5
197.08099	3.1
200.07033	1.3
202.05017	1.5
203.07126	3.1
205.04860	1.1
207.06511	14.8
215.09233	2.8
219.08678	8.9
221.02968	1.9
231.06543	8.7
237.02850	1.7
238.03423	1.2
239.02248	1.3
243.08839	1.7
244.07953	1.4
245.08954	1.4
249.07608	12.9
261.09805	6.0
267.08649	2.3
271.01639	1.0
271.13583	0.9
274.10672	3.0
283.23978	1.1
289.12180	1.3
319.11835	1.3
376.66742	1.2
377.07138	1.6
395.07559	1.2
436.13330	3.1
437.15488	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03946	7.9
55.05514	32.0
57.03435	12.3
57.07079	9.9
61.35963	4.8
65.03930	7.3
66.16409	4.7
66.97668	5.1
67.05502	97.1
69.03421	9.4
69.07065	30.2
71.04991	9.2
71.60319	6.9
79.05496	51.7
81.03421	20.3
81.07059	91.9
83.04993	12.1
83.08605	26.2
85.06561	7.2
91.05486	55.9
93.07046	43.1
95.04961	31.2
95.08611	47.9
97.06564	5.2
97.10166	15.4
105.07018	36.7
107.04951	15.4
107.08605	28.3
109.06478	6.5
109.10137	30.9
117.06954	12.0
119.04939	23.9
119.08584	20.3
121.06502	10.0
121.10130	26.0
123.11697	11.4
125.09612	7.8
129.07034	14.8
131.08595	17.8
133.06497	6.3
133.10075	31.0
135.08069	9.0
135.11685	14.5
137.09644	8.8
143.08606	7.1
143.91191	5.3
145.10127	17.8
147.04407	100.0
147.11687	11.1
149.09612	10.0
157.10172	15.1
159.11696	12.8
165.05389	11.1
171.11658	12.6
175.11165	11.8
187.14761	6.7
193.12309	8.5
217.19521	9.0
235.20607	11.2
243.97725	4.8
289.65405	5.2
343.22559	34.4
417.26273	20.6
417.31226	7.4
435.27094	55.7
435.32721	7.5
443.22940	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	436.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.7
57.03431	0.5
69.03420	1.7
71.59543	0.5
81.03419	0.6
84.04477	0.4
85.02912	2.6
89.06046	0.7
90.48042	0.4
93.05794	0.6
94.06564	3.0
95.04965	0.5
97.02879	1.5
98.56349	0.4
103.07574	1.0
110.06062	2.6
116.98636	0.4
117.03363	0.6
124.03915	0.6
125.04742	1.0
127.03912	1.5
135.04419	0.8
138.05501	100.0
139.03937	0.8
139.05896	2.1
143.05637	7.0
144.04092	3.2
144.05954	1.4
145.02881	0.6
147.04424	0.7
151.03911	0.5
152.61308	0.5
162.63850	0.4
163.03900	2.8
171.06538	0.5
185.02657	0.6
221.03035	0.8
225.05292	1.4
228.06416	0.6
229.41528	0.4
237.02870	0.5
238.10739	0.6
266.10361	0.6
274.07132	0.8
282.09943	0.9
319.49872	0.4
324.18961	0.4
418.11325	19.0
419.11841	1.3
436.12399	45.5
437.12585	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	435.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.2
57.03428	0.4
57.07067	0.3
69.03426	0.5
71.20371	0.2
81.03409	0.3
85.02912	0.6
85.06554	0.4
87.06721	3.5
93.92127	0.1
97.02891	0.6
99.04524	0.2
101.81601	0.2
103.07581	0.7
109.02883	0.2
109.12032	0.2
113.04613	0.2
125.04633	0.2
125.05943	0.1
126.02990	0.1
127.03915	0.4
141.04056	0.7
143.05647	100.0
144.05994	0.5
163.03938	0.3
192.85963	0.1
305.11063	0.6
330.12872	0.1
435.17688	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0923
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.77453	0.4
57.03419	0.5
58.28607	0.5
61.02913	1.5
65.99942	0.4
67.79368	0.4
68.78540	0.4
70.08204	2.4
70.08528	0.4
71.62239	0.4
73.02917	11.4
85.02892	0.9
109.02868	0.7
111.00793	0.9
115.03946	1.0
121.02867	1.3
126.67407	0.4
137.02328	3.6
145.06573	0.5
153.01833	4.5
161.06027	0.5
163.03854	0.5
165.01837	1.6
167.07039	0.5
181.05008	1.0
183.02971	0.9
187.03796	0.6
195.02859	1.2
201.05478	2.0
229.04982	3.9
242.06584	0.5
247.06023	0.7
255.06509	1.0
257.04410	2.2
273.07312	0.7
274.04712	0.9
285.04019	1.2
285.07367	0.5
303.04996	100.0
304.05194	2.6
352.85672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05489	0.3
56.96553	0.7
57.03428	0.3
60.05638	0.4
61.02923	0.3
63.26902	0.2
65.76575	0.2
69.03420	1.1
69.97333	1.2
70.06583	0.4
73.02915	0.4
73.06547	0.7
79.05498	0.4
81.03404	1.0
82.85983	0.2
83.04997	0.4
84.04491	0.5
84.08157	0.3
85.02903	2.5
85.06513	0.3
86.09717	0.3
87.06715	3.2
91.05459	0.4
94.07475	0.2
95.04990	0.3
95.08607	0.5
97.02898	1.3
98.98434	0.3
99.04454	0.4
103.07569	0.8
109.02908	0.8
111.04463	0.4
116.98642	0.5
119.04957	0.3
122.02744	0.6
123.04473	1.3
123.08055	0.6
124.08440	0.3
127.03962	1.3
129.05505	0.5
135.04395	0.7
139.03902	0.6
141.04088	0.6
141.05446	0.4
142.04881	0.3
143.05647	100.0
144.05969	0.5
145.04967	0.5
147.04440	0.8
151.07547	5.5
152.07896	3.9
159.02983	0.3
163.03947	1.7
167.07062	0.3
169.07225	2.2
171.06599	0.4
177.05515	0.5
185.06766	0.3
188.01689	0.3
207.06557	0.3
237.02667	0.4
242.36339	0.2
273.11978	0.7
284.08041	0.3
285.08243	0.4
305.10858	0.6
435.17245	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.5
54.38121	4.7
55.01859	7.2
55.05499	14.8
56.05018	7.0
56.96555	8.4
56.98934	4.2
57.03434	10.0
62.39752	4.9
63.39887	5.1
65.03933	6.1
67.05490	20.5
69.03418	27.0
69.07061	19.6
70.06581	16.7
71.04984	28.0
71.61284	9.5
71.61650	4.6
72.08163	7.4
73.02924	9.0
73.06581	5.5
79.05486	22.7
79.81319	4.2
81.03426	31.5
81.07057	41.7
83.04960	8.3
83.08619	6.9
84.04036	7.9
84.04504	100.0
84.08143	5.7
85.02908	51.2
85.36049	5.1
86.09718	9.9
91.05476	28.9
93.07034	30.2
95.04977	17.6
95.08620	32.4
97.02908	28.2
97.06521	14.2
99.04449	10.0
99.08128	5.1
103.03947	6.0
103.05472	6.8
105.07047	37.7
107.04948	20.3
107.08599	26.8
109.02878	36.5
109.06501	7.2
109.10157	21.5
111.04440	4.9
115.05425	7.9
117.07029	7.6
119.04926	10.7
119.08584	20.2
121.02842	6.2
121.06518	13.0
121.10145	17.7
123.04448	8.7
123.08057	9.1
123.11591	5.0
125.05998	7.4
125.09637	20.5
126.05524	15.0
127.03912	34.4
127.11250	6.8
129.07037	5.8
130.05009	4.8
131.04929	10.6
131.08571	16.7
133.10118	46.9
135.04399	6.0
136.07494	5.4
137.02402	10.1
137.05965	24.5
138.02699	6.6
143.05663	23.2
143.10696	27.5
144.05812	5.6
145.04895	9.7
145.06451	8.4
145.10138	13.5
147.04414	8.0
147.11685	15.8
149.05989	9.7
149.13249	19.7
151.03865	6.2
151.11200	6.0
159.11711	14.3
161.06027	7.6
161.13232	7.2
163.07524	6.4
163.11110	6.9
167.07016	57.3
167.14334	40.1
177.05487	15.7
179.07095	8.9
181.04951	58.0
181.08630	12.8
189.09235	6.2
201.16402	6.2
205.08644	6.9
207.06514	22.3
219.17490	40.4
221.08121	5.9
233.08023	24.4
237.18405	7.9
259.05643	7.3
271.06027	17.5
272.06393	42.6
283.05917	8.4
284.06326	13.3
286.04663	9.1
287.05206	47.9
288.05804	54.7
294.38852	5.7
301.06973	25.5
302.07404	68.1
303.07529	6.8
313.07162	8.8
314.07489	14.8
338.07300	9.8
361.16437	8.4
386.12036	6.7
416.11359	7.5
417.15482	15.3
428.07831	5.4
434.12793	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45645	0.3
53.03941	0.5
54.18491	0.4
55.01876	0.6
55.05506	0.6
56.96571	0.5
57.03424	0.8
58.99585	0.6
60.04510	0.4
61.02927	0.5
67.05491	1.6
69.03437	2.6
69.62833	0.7
69.63242	2.0
70.06585	0.7
71.04982	0.5
72.08153	0.4
76.02216	0.9
79.05486	0.5
81.03403	0.7
81.07057	0.6
83.04984	0.4
84.04486	0.5
85.02898	5.4
87.04447	0.6
88.02227	0.4
89.03903	0.4
91.05469	0.5
93.07046	0.5
95.04967	0.6
95.08605	4.1
96.04501	0.3
97.02905	2.0
99.04450	0.9
100.02198	1.5
105.00100	0.7
105.07028	1.0
109.02898	0.8
110.06000	0.3
111.04453	0.4
113.57481	0.4
116.63598	0.4
116.98567	0.5
119.04961	0.4
120.04484	0.4
122.02730	7.0
123.04478	0.7
123.08070	6.7
124.07601	0.4
127.03932	5.1
128.04256	1.9
129.05479	0.5
134.86731	0.3
134.99680	0.5
135.04424	0.7
138.05486	1.2
140.07124	0.6
143.05647	0.6
145.02904	0.7
145.04982	0.6
146.02711	1.5
146.67197	0.4
146.99823	0.4
147.04405	0.7
151.07545	100.0
152.07938	1.7
156.06564	0.4
163.03949	2.9
164.03845	0.9
166.08681	0.5
175.03801	0.5
177.05472	0.7
212.39201	0.3
228.09790	0.4
248.05957	0.6
272.09424	4.9
272.11935	0.4
284.07980	5.4
434.17316	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	433.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05294	4.8
55.05516	41.6
56.51419	3.9
56.65519	4.0
57.03442	8.6
57.07070	21.1
60.75055	4.4
65.03931	4.6
67.05500	44.4
69.03432	4.6
69.07072	53.0
71.04974	7.3
71.08624	17.2
71.60225	5.9
72.90903	4.0
79.05487	24.8
81.07063	70.3
83.08615	54.2
85.10174	7.1
87.00826	32.3
91.05473	18.1
93.07039	31.0
95.08614	50.5
97.06511	11.7
97.10173	33.7
97.50684	4.7
98.53761	4.3
104.10723	4.1
105.01870	6.0
105.07025	16.2
107.04977	5.2
107.08572	25.5
109.10145	22.0
111.11721	9.2
114.19008	4.6
119.08571	7.1
120.64935	4.4
121.10113	24.4
123.11703	22.5
125.09633	6.3
129.09213	4.9
131.08543	11.3
133.10106	5.6
135.11723	20.4
137.13290	6.2
139.11150	8.7
145.10132	6.8
147.83165	3.9
149.13240	14.7
153.12775	5.8
155.08481	5.1
159.11652	7.2
163.14807	10.7
174.87134	4.0
183.11786	4.5
191.07156	4.3
219.21129	27.7
234.36469	4.9
237.22144	100.0
255.23192	86.3
256.23425	5.2
271.06140	22.3
283.06006	10.5
313.06989	5.9
323.22339	13.4
329.26721	7.7
341.23364	32.5
353.27271	4.2
359.24185	7.9
397.25992	6.1
415.26855	43.4
433.30154	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	433.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.2
53.03930	4.0
55.01873	12.7
55.05511	35.2
57.03435	8.2
57.07071	2.3
59.04993	1.8
64.01871	1.1
65.03928	3.1
67.05504	43.2
68.46472	0.9
69.03424	7.3
69.07069	14.9
70.06577	1.5
70.74040	2.0
70.74379	2.1
71.04987	4.0
71.08604	1.0
77.03899	1.6
79.05493	50.9
81.03415	11.3
81.06580	2.4
81.07053	40.7
83.04978	7.7
83.08616	18.2
84.04498	3.0
85.02897	4.1
85.06542	2.7
91.05482	41.9
93.06474	2.1
93.07040	37.9
93.07632	2.0
95.04962	36.7
95.08611	21.4
97.02856	2.2
97.06537	5.3
97.10168	24.3
99.04483	2.4
99.08070	2.2
101.06040	1.6
103.05459	3.4
103.43446	1.1
105.04514	1.2
105.07030	33.8
105.52265	1.0
107.04955	16.3
107.08595	25.1
109.02855	4.7
109.06501	8.6
109.10156	11.5
111.04427	1.9
111.08064	4.3
113.06000	1.3
115.05447	4.7
116.06186	1.2
117.07020	22.2
119.04981	5.4
119.05679	1.0
119.08577	18.5
121.06507	19.8
121.10144	18.5
123.04431	3.5
123.08060	8.5
123.11691	3.3
125.09639	17.2
127.03894	3.1
128.06221	6.5
129.05524	2.3
129.07007	26.9
130.04955	1.6
131.04924	14.0
131.08569	29.5
133.06476	9.6
133.10150	11.0
135.04419	2.3
135.08057	11.6
135.11687	4.9
137.05946	3.5
137.09648	3.4
139.07579	1.2
141.06979	9.8
142.07755	3.3
143.08560	16.9
144.05612	1.3
145.06488	23.4
145.10103	17.9
147.04408	3.5
147.08029	9.7
147.11670	6.5
149.05969	1.7
149.09622	21.9
149.13264	1.6
151.07559	2.3
151.11186	1.8
153.01822	1.4
153.06944	1.6
153.09116	3.0
154.07803	2.1
155.08537	8.8
156.09404	1.8
157.06508	4.5
157.10117	8.5
158.07289	1.3
159.08046	9.5
159.11682	10.1
161.05991	2.7
161.09615	6.1
161.13191	3.2
163.11191	4.2
165.07025	1.6
167.07115	2.3
167.08548	4.5
169.10110	14.1
171.08046	4.8
171.10245	2.3
171.11664	20.5
173.09624	9.5
173.13260	2.3
175.03812	1.3
175.11145	3.6
177.05339	1.8
177.12712	3.6
179.08557	2.6
181.04958	2.7
181.10101	4.7
183.08064	2.2
183.11671	7.6
185.09584	4.9
185.13327	5.3
187.11195	9.7
189.09064	3.9
189.11185	11.1
189.12750	14.2
191.10643	1.8
193.10078	2.0
193.12157	2.7
195.11696	4.2
197.09544	5.8
197.13228	2.5
199.11198	5.9
199.14774	1.4
201.12776	4.1
203.10652	2.7
203.14398	1.3
205.12218	7.6
207.11772	2.5
207.13773	1.5
209.09666	1.6
209.13254	2.1
211.11235	7.4
211.14830	1.9
213.12747	3.4
215.10713	3.8
215.14238	1.8
219.11797	1.4
219.13803	1.3
221.13214	1.9
223.11452	1.3
223.13187	6.7
225.12759	5.0
227.12755	4.8
227.14615	1.3
229.12248	4.2
229.15916	1.2
231.13719	2.8
233.11623	2.1
239.14357	1.5
241.12120	1.2
243.13799	5.2
247.13277	1.7
249.14796	2.2
257.15289	4.6
261.14749	1.8
267.15948	3.1
271.06027	13.9
272.06375	1.4
273.14774	3.0
275.16199	2.0
277.19440	1.3
279.16034	1.2
283.05997	6.4
284.06656	1.6
295.20517	4.8
299.20096	1.4
305.18921	4.4
313.07074	4.9
313.21640	7.4
321.16898	1.5
323.16406	2.1
323.20044	23.9
331.22522	1.5
335.18311	1.4
337.07242	1.3
341.21115	100.0
342.21359	2.3
359.22137	10.2
377.23053	1.9
379.08194	1.6
379.22476	1.5
389.23273	1.4
397.09143	1.5
397.23410	2.6
415.09787	1.5
415.24725	39.9
415.30167	2.6
416.24734	1.8
433.25745	74.4
434.12781	2.2
449.03207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.7
57.03434	0.8
64.99911	0.5
67.05483	1.2
69.03417	1.2
69.07050	0.9
70.06578	0.6
72.08163	1.0
80.51872	0.5
81.03406	1.3
81.07049	0.6
84.08125	1.5
85.02887	1.9
91.05466	1.2
93.07004	1.1
97.02885	0.5
105.07026	0.7
107.04967	0.7
107.08572	0.9
109.02895	0.7
109.10141	1.0
111.04372	0.5
119.04942	2.2
121.02827	1.7
127.03905	1.2
131.04866	0.7
143.05678	0.6
151.03894	2.2
153.01846	4.1
163.03883	1.1
164.07050	0.8
165.01817	1.2
167.07018	1.2
181.04988	1.5
183.02933	1.2
185.11493	6.1
189.72086	0.5
213.11014	3.4
267.06543	0.9
271.06012	100.0
272.06320	4.2
281.08075	1.1
283.06039	10.2
284.06790	1.9
295.06058	1.5
301.07159	0.7
309.07544	2.0
313.07056	9.4
314.07544	0.7
323.09198	1.9
329.15939	1.2
333.07657	0.6
337.07010	4.9
339.08646	0.7
343.08127	1.0
347.16766	13.6
347.20999	0.7
349.07153	1.9
351.08551	1.1
361.07086	0.9
367.08224	3.5
379.08157	2.2
389.17813	40.5
390.18213	0.8
397.09290	5.7
415.10004	1.9
433.11707	2.2
433.16785	48.5
434.17303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83838	0.2
52.90094	0.2
53.03938	0.9
53.24335	0.2
55.05496	0.2
57.03439	0.3
57.65436	0.2
61.02917	0.2
69.03425	2.6
69.42216	2.2
71.04986	0.3
73.02908	0.3
81.03421	2.7
85.02902	6.5
86.09693	0.4
87.04453	0.3
97.02886	4.3
99.04453	4.5
103.03936	4.7
103.04556	0.4
105.06975	0.2
109.02880	2.8
117.16073	0.2
126.42727	0.2
127.03910	100.0
128.04228	1.0
143.05621	1.2
145.04951	3.2
163.06024	0.6
168.63814	0.2
181.04926	0.5
187.06036	0.9
191.49945	0.3
271.05746	0.5
271.08298	0.3
283.06061	0.7
295.06204	0.2
313.07080	0.5
323.09583	0.2
403.14038	0.3
433.11444	0.3
433.17010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1339
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03936	1.0
56.46508	0.2
57.03428	0.2
61.02925	0.4
69.03429	1.8
69.80031	1.1
71.04973	0.6
73.02901	0.5
81.03411	2.2
85.02900	5.8
90.34121	0.2
97.02887	3.9
98.20873	0.4
99.04452	3.6
101.07391	0.2
103.03940	4.2
109.02881	2.9
127.03913	100.0
128.04251	0.6
143.05611	1.1
145.04965	3.4
147.44029	0.2
163.06044	0.7
181.04924	0.7
187.06064	0.9
228.10806	0.2
271.08176	0.5
278.98532	0.2
403.13892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52996	0.0
53.06701	0.0
65.03934	0.0
67.01856	0.6
68.99439	0.1
68.99773	0.4
69.00108	0.0
69.03412	0.1
69.60017	0.1
69.60432	0.0
81.03411	0.1
85.02890	0.1
91.05473	0.4
95.04931	0.0
97.02873	0.1
98.21468	0.0
109.02867	0.1
111.00806	0.1
119.04931	2.3
121.02853	0.8
125.02374	0.0
127.03890	0.1
129.01845	0.2
131.04944	0.1
137.05983	0.0
141.06955	0.0
145.02817	0.7
145.03978	0.0
149.02298	0.0
153.01811	5.4
154.02104	0.1
155.04836	0.0
157.06454	0.0
163.03888	0.5
169.06471	0.1
171.02872	0.9
173.05917	0.0
185.05864	0.0
187.03928	0.2
195.03058	0.0
197.05986	0.1
201.05606	0.0
202.06261	0.0
203.07066	0.1
211.03909	0.1
215.07063	0.0
225.05403	0.3
229.04936	0.3
243.06473	0.4
247.06059	0.2
253.04965	0.1
254.05774	0.1
270.05121	0.1
271.05972	100.0
272.06290	2.6
283.05945	0.3
284.06906	0.0
287.05496	0.1
295.06052	0.0
301.07123	0.0
309.07642	0.1
313.07123	0.2
323.09586	0.1
337.06958	0.1
367.08054	0.1
379.08084	0.1
397.09058	0.1
415.10266	0.0
433.11172	0.5
434.11856	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
63.51126	0.1
67.01852	0.4
68.99791	0.4
69.32428	1.2
89.04663	0.1
91.05475	0.4
97.14677	0.1
98.21533	0.2
119.04946	2.0
121.02861	0.6
129.01814	0.1
145.02887	0.6
153.01836	4.8
163.03911	0.4
171.02892	0.8
172.65726	0.1
187.04004	0.2
225.05450	0.4
229.04973	0.3
243.06491	0.3
247.05954	0.1
251.17940	0.1
253.04892	0.2
271.06012	100.0
272.06354	2.4
313.43927	0.1
433.11151	0.5
436.10837	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	433.1127
Annotation	Galanginin
Peak:m/z	Relative Intensity
55.01856	0.1
55.05505	0.1
56.96531	0.1
57.03420	0.2
61.02913	0.2
65.03936	0.2
67.01855	0.6
67.05473	0.3
68.99763	0.6
69.03410	0.3
69.07034	0.2
70.06582	0.1
71.60965	0.1
75.82683	0.1
79.01834	0.2
79.05458	0.3
79.35322	0.1
81.03419	0.5
81.07049	0.5
83.04955	0.1
84.04472	0.1
84.08128	0.2
85.02914	0.6
86.09708	0.1
91.05470	0.7
93.07021	0.3
95.04959	0.3
95.08591	0.3
97.02879	0.4
97.06514	0.1
105.07005	0.2
107.04915	0.3
107.08611	0.2
109.02851	0.4
109.06487	0.1
109.10139	0.2
111.00826	0.1
111.04489	0.1
114.48228	0.1
119.04944	2.8
119.08527	0.2
121.02868	2.5
121.06397	0.1
124.07576	0.1
127.03902	0.5
129.01826	0.2
134.99667	0.1
135.04382	0.3
135.11719	0.1
137.02330	0.2
137.05971	0.2
141.01849	0.2
143.05615	0.3
145.02838	1.2
145.06537	0.1
145.10057	0.1
147.04424	0.1
149.02351	0.2
153.01825	4.9
159.11642	0.1
161.02367	0.1
161.05995	0.2
163.03909	1.2
163.11185	0.2
164.07097	0.2
165.00531	0.1
165.01825	1.7
167.03455	0.5
167.07047	0.2
169.82779	0.1
171.02911	0.8
173.09607	0.1
175.07547	0.1
177.01891	0.3
177.05487	0.2
181.04939	0.8
183.02887	1.4
183.04462	0.1
187.03902	0.4
191.03400	0.3
195.02899	0.4
205.05032	0.2
211.56358	0.1
213.05458	0.2
217.02438	0.2
221.08096	0.2
225.05475	0.4
229.04967	0.6
233.04500	0.1
239.07190	0.3
242.05800	0.1
243.06511	0.4
247.06047	0.2
253.04901	0.1
253.09315	0.1
254.05785	0.1
255.06509	0.3
256.07330	0.4
259.06042	0.2
261.03928	0.3
267.06497	1.0
267.09103	0.2
269.04337	0.1
270.05112	0.5
271.06000	100.0
272.06339	2.8
279.06625	0.3
281.08179	1.3
283.06003	17.7
284.06729	2.4
285.07343	0.2
285.10168	0.4
287.05496	9.5
288.05707	0.2
293.08130	0.1
295.06046	2.0
295.09625	0.4
297.07568	1.0
305.08029	0.4
307.06244	0.5
308.06708	0.5
309.04010	0.3
309.07535	3.2
309.11111	0.2
311.05560	0.2
313.07059	10.9
314.07370	0.4
320.10455	0.1
321.07526	0.4
323.05676	0.2
323.09125	2.9
325.07065	0.2
333.07581	0.5
337.07028	5.7
338.07156	0.2
343.08142	0.3
349.07089	1.6
351.08463	0.6
361.07068	1.6
364.11301	0.1
367.08109	3.2
379.08087	3.3
397.09183	3.6
398.09338	0.1
403.13776	0.2
415.10217	2.4
415.15494	0.2
433.11322	1.9
433.18225	0.7
433.76682	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	433.1129
Annotation	Isovitexin
Peak:m/z	Relative Intensity
55.01868	0.7
69.85546	0.4
70.97054	1.0
78.11644	0.5
78.61465	0.6
81.03401	0.9
85.02885	1.5
94.10934	0.6
95.04977	0.8
109.02878	1.2
119.04953	3.0
121.02875	7.7
129.85881	0.5
141.01823	0.9
145.02815	2.8
149.02348	0.8
163.03864	3.4
165.01823	11.3
167.03487	2.9
177.01883	0.9
181.05000	0.6
183.02896	5.6
187.03877	1.4
191.03398	1.0
195.02905	1.5
205.04947	0.7
229.04893	1.1
239.06964	1.2
241.15207	0.6
255.06613	0.9
256.07300	1.1
261.03778	0.8
267.06516	6.5
270.05133	3.2
271.06006	6.4
279.06540	1.8
281.08057	6.6
283.06015	100.0
284.06720	10.8
293.07999	1.0
295.06073	10.0
295.09439	1.3
297.04309	0.8
297.07584	2.8
305.08243	3.0
307.06076	2.0
308.06796	1.7
309.04126	1.3
309.07520	19.5
311.05432	0.8
313.07056	71.7
321.07587	2.4
323.05627	0.7
323.09097	14.7
333.07562	4.3
335.05432	1.2
337.07056	39.8
349.07077	11.3
349.72873	0.6
351.08612	3.2
361.07065	9.8
367.08124	23.8
379.08148	18.6
397.09207	22.3
415.10281	13.1
433.11252	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	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.69878	0.5
53.28178	0.4
53.94062	0.4
55.01851	0.4
59.90981	0.5
60.02837	0.4
60.13218	0.4
63.70742	0.4
69.03419	0.7
69.50128	1.9
69.50557	1.3
74.23931	0.4
77.85780	0.4
78.49098	0.4
81.03380	1.1
84.08142	1.0
85.02898	1.9
91.03952	0.4
97.02870	0.7
98.20727	0.5
109.02872	0.4
115.97033	0.5
119.04933	2.6
121.02852	1.8
127.03921	1.0
145.02815	0.9
153.01828	4.3
167.03578	0.5
171.02855	0.7
173.02354	0.5
225.05562	0.6
271.06009	100.0
272.06345	2.4
283.06021	7.7
284.06747	1.9
295.05975	1.2
297.07556	0.4
309.07587	1.4
313.07053	7.0
323.09271	1.7
337.06967	3.0
349.07016	1.3
367.08047	1.7
379.08145	1.6
397.09070	1.6
415.09940	2.1
433.11197	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	433.1129
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
54.38209	0.7
55.01867	2.1
57.03421	1.4
65.03935	1.1
67.05508	0.9
68.99799	3.4
69.03441	1.8
69.83811	3.1
69.84224	1.4
70.06593	2.1
71.04973	1.2
72.45287	0.8
79.01846	1.7
81.03413	2.4
81.07064	1.3
84.08142	1.0
85.02903	5.1
85.31616	0.7
86.09689	1.2
89.06036	0.9
91.05486	3.4
93.03424	0.8
93.07005	1.0
95.04964	2.4
97.02892	1.7
98.21408	0.9
98.42319	0.7
103.03925	1.3
103.61816	0.8
107.04958	2.1
109.02896	1.9
111.04407	1.2
119.04935	9.0
121.02862	42.1
121.06439	0.9
121.10189	0.9
123.04430	1.7
123.08021	0.9
127.03910	1.8
131.04822	0.9
133.02748	0.9
135.04424	2.1
137.02333	0.9
137.05984	3.6
139.03877	1.6
141.01808	2.3
143.05736	1.1
145.02855	3.4
145.06578	0.8
147.04369	1.8
149.02325	1.2
149.05960	0.9
151.03889	1.4
153.01784	4.9
159.04329	0.8
161.05978	1.5
163.03922	10.2
165.01840	11.5
167.03424	2.6
177.01854	3.5
177.05461	1.9
179.03441	0.9
181.04956	2.8
183.02907	9.7
187.03929	1.8
189.01785	0.9
191.03459	5.3
193.05095	1.1
193.08627	1.1
195.02856	4.6
196.82645	0.8
203.03421	2.5
205.04945	5.0
207.02913	0.8
213.05498	2.4
215.03377	1.2
217.04980	3.1
219.02896	7.4
221.04439	1.3
229.04918	1.2
231.02869	1.7
233.04443	2.0
235.05945	1.1
239.07031	0.9
243.02861	1.2
243.06453	0.9
247.06090	1.1
249.03993	2.8
255.06508	4.4
256.07248	3.7
259.05960	1.5
261.03955	4.4
267.06357	5.4
269.04288	1.1
270.05225	1.8
271.06012	19.2
279.04825	1.6
280.07507	0.8
281.08069	4.9
283.06006	100.0
284.06763	21.2
285.07343	1.8
295.06055	14.9
295.09555	2.0
297.07907	7.2
305.08185	1.2
307.06046	2.2
308.06870	3.2
309.04196	1.1
309.07538	14.7
311.05493	2.9
313.07047	83.3
314.07382	2.5
321.07587	5.0
323.05499	1.3
323.09106	17.4
325.07126	2.4
327.08389	0.8
333.07556	4.9
334.08350	1.1
335.09109	1.8
337.07053	32.7
343.08081	3.5
349.07040	14.9
349.10864	1.5
351.08704	4.7
355.08057	2.9
359.09235	2.0
361.07043	5.9
363.08743	1.7
367.08105	22.1
371.16736	1.5
379.08090	17.9
387.08582	2.5
397.09155	23.8
398.08908	0.9
403.13956	0.9
405.09598	1.9
415.10287	21.7
433.10718	33.2
433.16849	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	433.1133
Annotation	Galanginin
Peak:m/z	Relative Intensity
53.03894	0.7
55.01825	0.8
56.05233	0.4
57.03386	1.1
57.03629	0.4
58.29472	0.5
63.62639	0.5
64.99425	0.4
65.03886	0.8
68.99783	2.8
69.03344	2.0
69.29240	5.0
70.06527	1.2
72.08096	0.8
79.01795	0.4
79.05416	0.9
81.03328	2.1
81.06985	0.8
83.04926	0.6
84.04465	0.6
84.08070	1.1
85.02900	3.8
86.09619	1.4
91.05484	2.6
91.05909	0.7
93.06975	0.9
95.04887	1.3
95.08538	0.6
97.02798	1.6
99.04401	0.5
103.03876	0.7
105.06963	0.7
107.04858	1.5
109.02785	2.0
109.06445	0.5
109.11604	0.4
111.04429	0.8
119.04951	4.2
119.08518	0.9
121.02872	18.1
121.03725	0.9
121.06491	0.5
123.04324	1.7
127.03896	2.2
131.04883	0.6
133.02849	0.5
135.04463	2.6
137.02359	4.0
137.05989	2.3
137.09532	0.6
139.03806	1.2
141.01741	0.8
143.05643	5.1
144.05859	0.4
145.02766	2.0
147.04372	1.0
149.02292	0.8
149.09581	0.5
151.03844	1.2
152.64008	0.5
152.65259	0.6
153.01743	1.7
155.03279	1.3
161.02321	2.5
161.05858	0.6
163.03912	6.8
164.06976	0.5
165.01825	7.3
167.03406	2.2
167.04633	0.5
167.06958	1.5
167.08224	0.7
169.04909	0.5
173.05923	0.6
175.03802	0.4
177.01880	2.2
177.05421	1.6
179.03325	0.8
181.04871	1.7
183.02921	6.5
187.03925	0.9
189.01837	0.6
189.05385	0.4
189.08875	0.4
191.03416	4.2
193.04927	0.8
195.02895	3.2
197.06071	0.9
203.03401	1.0
205.04997	2.9
207.02907	0.6
207.06456	0.7
209.04433	0.6
211.07539	0.5
213.05402	1.4
217.04938	1.4
219.02902	6.7
229.04965	0.9
231.02823	1.9
233.04507	0.8
239.06979	0.7
243.02805	0.6
243.06450	0.7
249.03976	2.4
253.04929	0.6
255.06409	1.2
256.07321	1.9
259.06210	0.6
261.03967	3.3
267.06552	3.3
270.05182	1.9
271.06021	100.0
272.06351	2.6
279.05072	1.5
281.08099	3.2
283.06027	50.3
284.06741	9.5
285.07462	1.1
293.08218	0.9
295.06042	10.2
295.09460	1.2
297.07953	3.7
301.07050	1.3
305.07983	0.6
307.06064	1.3
308.06870	1.5
309.04205	1.1
309.07611	7.6
311.05539	0.7
313.07068	41.0
314.07391	1.1
321.07645	1.9
323.05545	1.1
323.09109	8.1
325.07126	1.7
333.06851	0.7
337.07056	18.0
337.11218	0.9
338.07416	0.6
343.08173	1.0
347.09467	0.6
347.13144	2.1
349.07089	5.9
351.08640	2.5
355.08124	2.8
361.07013	2.9
367.08121	10.9
367.12695	0.7
371.11246	0.6
379.08170	9.7
380.08588	0.7
389.14127	9.7
397.09198	12.7
397.13989	0.8
398.09741	0.6
403.13660	0.7
415.10263	12.2
415.15686	0.7
433.12463	19.9
433.20169	1.0
434.11972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
55.05508	1.6
57.03441	2.8
59.27086	1.1
65.03951	1.2
69.03426	4.6
69.83624	2.9
69.84042	5.6
70.06602	3.4
72.08193	1.3
74.30487	1.0
79.05500	2.1
80.05024	1.3
81.03416	2.7
81.07041	2.0
82.03765	1.2
83.04992	1.6
85.02922	6.5
86.09707	2.7
91.05499	3.2
93.07037	3.1
94.06577	2.0
95.08602	3.0
97.02914	3.9
97.44398	1.3
98.20734	1.3
98.72333	1.4
99.08078	2.2
105.07041	2.9
107.04969	2.8
107.08594	4.1
108.04464	2.4
109.02869	2.6
109.10199	2.6
119.04954	4.0
119.08575	2.1
120.04459	1.4
121.02862	8.5
121.06550	1.8
121.10174	4.1
123.04391	1.5
123.08076	1.3
127.03919	2.0
129.45242	1.3
132.04443	1.8
133.10175	3.2
135.04453	1.8
135.08101	1.8
136.07603	1.7
138.77490	1.3
141.01836	2.4
143.05670	1.4
145.02852	3.1
148.03918	2.1
149.02365	1.7
149.09604	6.5
149.13246	2.0
151.03967	1.6
151.11252	2.1
152.07042	1.5
153.14856	1.2
159.11678	2.0
161.09583	1.4
163.03920	4.4
163.14728	1.7
164.06999	1.3
165.01860	10.5
167.03381	2.2
173.88402	1.4
176.70760	1.2
177.04242	7.0
177.05557	3.2
177.12857	1.5
178.12302	7.7
181.04932	3.0
183.02846	8.9
188.57083	1.3
191.14392	5.6
195.02951	1.9
195.13736	1.4
199.60449	1.3
209.10786	1.4
209.15428	9.5
229.04782	2.0
234.18614	8.8
235.17012	2.8
240.19586	2.4
252.06650	1.7
252.19595	8.7
253.17973	2.2
267.06555	6.8
270.05136	2.0
270.07614	50.5
270.20624	5.7
271.05856	11.9
271.08511	1.7
279.06439	2.5
281.08093	9.8
283.06012	100.0
284.06860	10.3
293.08267	1.4
295.06070	10.5
295.09476	2.7
297.07614	4.7
305.08307	1.9
307.06042	1.9
308.06812	2.2
309.04132	3.0
309.07526	19.8
313.07068	69.9
321.07623	3.5
323.09158	14.9
333.07440	2.6
337.07056	33.9
349.07101	10.5
351.08685	4.9
361.07077	10.9
367.08096	20.6
379.08124	19.4
397.09235	19.8
415.10193	14.9
432.25925	4.3
433.11606	7.8
433.16370	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91419	1.1
59.50351	0.8
69.90816	5.3
70.06596	100.0
72.08164	1.5
85.02914	2.5
97.02936	1.2
98.20853	1.8
113.88457	0.9
114.36030	0.9
127.03930	3.0
127.07867	1.0
127.08693	6.4
130.06531	20.4
132.04437	6.3
135.04483	1.2
136.07663	1.5
139.03976	1.0
143.04567	1.1
143.05653	2.4
146.06090	1.0
147.04417	1.2
155.08148	6.1
157.07616	23.7
158.06012	10.9
159.09154	4.2
163.03929	3.0
167.07036	1.0
175.08701	19.5
177.05579	1.1
185.07098	6.2
186.05600	0.9
192.20148	0.9
197.07130	1.6
203.08264	1.3
214.09761	1.2
225.06625	2.8
243.07607	3.0
260.10318	44.0
278.11401	5.2
289.12878	1.3
291.84555	0.9
300.09845	2.0
317.12488	5.0
324.16705	1.1
335.13492	2.3
357.15640	6.7
396.16925	1.1
414.17874	5.6
432.19742	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	432.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01866	0.4
55.05511	0.3
57.03428	0.6
61.02907	0.7
63.10325	0.2
65.03938	0.9
66.05380	0.2
67.05494	0.3
69.03429	2.1
69.07059	0.3
70.06583	0.5
70.65006	0.7
71.04969	0.3
72.08133	0.3
73.02898	0.3
79.05524	0.2
80.05023	2.2
81.03412	0.8
81.07043	0.4
85.02905	3.9
86.09702	0.6
87.04478	0.4
88.03967	0.2
91.05480	0.3
92.04984	0.8
93.03366	0.3
93.05768	0.6
93.07048	0.4
94.06570	0.6
95.04983	0.4
95.08597	0.4
97.02884	1.7
98.97605	0.2
99.04440	0.4
105.07015	0.3
107.04964	0.4
107.08646	0.4
108.04478	4.4
109.02885	0.5
111.04432	0.4
116.07117	0.5
119.04930	0.3
119.08593	0.4
120.04472	1.4
121.02836	0.4
121.10102	0.3
123.04434	2.3
124.07641	0.2
127.03920	1.0
131.08614	0.3
132.04463	2.8
133.10139	0.5
135.04428	1.6
136.07578	0.4
137.06050	0.2
137.09540	0.2
143.05649	0.6
145.02856	0.3
145.04968	0.6
147.11671	0.2
148.03929	3.5
149.02333	0.8
149.09561	0.4
150.03146	0.4
151.03909	4.0
151.11183	0.3
160.03912	0.7
163.03883	1.7
166.08722	0.2
166.12253	0.2
167.07169	0.2
168.08020	0.2
174.05553	0.2
176.03432	2.8
177.04225	13.3
177.12799	0.3
178.04993	1.1
178.12294	0.7
179.10663	0.3
181.04964	0.8
186.09132	0.3
191.14333	0.3
196.07599	1.3
199.06302	0.2
207.11230	0.4
209.15422	0.4
214.08710	0.5
224.07144	1.6
234.18579	1.1
235.06242	0.4
235.16862	0.5
236.57234	0.2
240.19600	0.6
241.07309	0.4
242.08127	2.7
252.06566	4.4
252.19572	1.8
253.18057	0.4
270.07614	100.0
270.20630	0.7
271.07999	2.0
283.05994	0.5
313.07068	0.6
337.07065	0.4
367.08286	0.4
397.09329	0.3
403.13986	0.7
415.09662	0.2
432.13013	2.2
432.22189	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05505	2.0
57.03434	5.4
57.07070	1.2
65.00388	0.5
67.05508	9.8
69.07071	2.2
69.43169	0.5
70.20731	1.4
71.08612	0.8
79.05495	3.9
79.09742	0.4
79.45277	0.5
81.03424	1.0
81.07059	10.8
83.04996	0.4
83.08618	2.1
84.55911	0.4
91.05478	2.9
93.07029	3.1
95.04947	0.7
95.08601	9.2
95.09171	0.8
97.06514	0.9
97.10181	1.2
98.98473	0.7
99.08140	0.4
105.07019	2.4
107.08616	2.3
109.10162	5.1
111.08089	0.7
113.00016	100.0
119.08595	1.9
121.10159	3.0
123.08049	0.4
123.11657	2.1
131.01065	1.3
133.10097	2.1
133.68381	0.4
135.11691	1.4
137.13229	1.2
139.01518	0.7
147.11693	1.7
149.13260	1.0
151.14859	0.6
155.01009	0.6
161.13304	1.4
163.14818	1.1
165.16441	0.7
169.02608	95.5
170.02879	0.6
175.14938	0.8
234.46007	0.4
245.22694	3.6
263.23691	7.7
336.29166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04475	1.5
53.03941	6.2
55.01861	5.6
55.05506	17.4
56.05030	2.1
56.96579	2.1
57.03438	23.0
57.07069	3.3
57.24883	1.5
61.02926	46.0
65.03929	3.0
67.05502	66.6
69.03079	2.3
69.03427	27.4
69.07068	26.3
71.01334	2.4
71.04984	8.6
71.61269	2.3
73.02921	23.0
75.12114	1.6
79.05066	2.9
79.05495	43.5
81.03416	26.6
81.07056	100.0
82.07382	2.4
83.04995	10.9
83.08635	12.6
85.02906	53.7
85.03429	3.2
85.06522	6.2
86.74941	1.6
87.04450	2.1
91.03962	25.3
91.05473	28.0
93.06474	3.7
93.07045	69.2
95.04966	11.1
95.08607	29.6
96.12277	1.4
97.02289	2.4
97.02893	41.3
97.06538	14.2
98.97572	2.2
99.04474	10.0
99.08092	5.7
101.02377	9.5
103.03928	6.3
105.07021	15.6
107.04952	3.3
107.08592	37.2
109.02882	16.8
109.06501	7.1
109.10157	13.0
111.04422	3.4
111.08051	9.8
111.11691	1.7
113.06027	1.9
115.03978	3.9
117.07025	8.1
119.08566	10.9
121.06483	3.4
121.10148	26.5
122.06036	7.0
123.08051	5.0
123.11707	7.9
124.07582	3.0
125.09602	2.5
127.03934	27.6
129.05490	3.6
129.06914	2.2
131.08568	15.6
133.10136	11.5
135.08044	4.7
135.11681	15.7
136.07600	11.0
137.05978	8.1
137.09651	2.4
139.07491	2.3
139.11171	3.2
141.05531	2.3
142.08708	1.9
143.05615	5.0
145.04935	5.7
145.10123	5.7
147.04337	2.5
147.11700	6.0
149.09651	5.0
149.13261	65.9
151.07549	12.0
151.11168	2.7
152.07037	3.3
153.05479	2.4
153.09019	2.4
159.07918	1.6
159.11696	27.7
161.13245	2.2
164.07063	11.9
165.12744	3.2
167.07018	4.4
173.13261	2.4
175.11148	2.3
177.05476	4.5
177.09106	4.7
177.12747	17.7
179.14340	2.5
183.06578	5.8
184.17854	1.7
191.10730	3.6
195.10130	3.5
195.11942	3.6
195.13805	44.3
201.07697	3.2
207.06506	2.2
213.14832	5.7
240.66409	1.7
247.16974	1.7
251.16331	2.3
253.17865	2.3
261.18414	2.4
269.17474	86.1
270.17773	3.6
275.16647	1.9
287.05438	7.0
287.14142	2.2
289.92346	1.8
297.16983	4.6
311.18494	5.1
377.19510	3.4
395.29138	2.3
413.21652	3.4
413.30298	4.1
431.22668	7.4
431.31552	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	431.0975
Annotation	Derhamnosylmaysin
Peak:m/z	Relative Intensity
53.03930	0.3
55.01867	1.2
56.24374	0.2
56.96561	0.2
57.03412	0.7
59.04984	0.2
60.05639	0.3
65.03925	0.4
67.01841	0.2
67.05490	0.6
68.99780	1.1
69.03409	0.7
69.07024	0.2
70.06565	0.9
70.25108	0.2
71.60790	0.3
72.08137	0.7
73.02906	0.2
78.33018	0.2
79.05473	0.6
80.72275	0.2
81.03421	1.4
81.07040	0.2
83.04975	0.2
84.04497	0.3
84.08115	0.6
85.02901	1.5
86.09691	2.0
89.03881	0.2
91.05462	1.5
93.03399	0.3
93.07026	0.2
95.04977	1.3
95.08578	0.2
97.02903	1.2
98.98470	0.3
101.06018	0.2
103.03945	0.2
103.05439	0.3
105.03393	0.3
105.07011	0.3
105.12054	0.2
107.04966	1.0
107.08554	0.3
109.02867	1.4
109.06503	0.3
111.04430	0.2
116.07043	0.2
117.03361	0.3
119.04913	0.9
119.08563	0.3
120.08038	0.4
121.02860	1.9
121.06490	0.3
121.10162	0.2
123.04368	0.3
123.05525	0.3
127.03893	0.4
131.04897	0.5
134.03490	0.3
135.04419	3.8
135.08028	0.3
136.07567	0.3
137.02336	7.8
137.03381	0.5
137.05995	0.4
141.01819	2.6
143.05634	0.5
144.03410	0.2
145.02820	0.8
147.04370	0.9
148.64468	0.2
149.02295	0.4
149.05937	0.3
152.07005	0.2
153.01793	0.6
159.04396	0.5
161.02325	2.8
161.06012	0.2
163.03885	4.8
165.01831	12.7
166.02063	0.3
167.03383	0.9
171.04288	0.2
173.02330	0.3
175.03879	0.6
177.01813	0.4
177.05472	1.8
179.03392	1.6
181.04929	2.4
183.02884	11.5
184.03256	0.2
187.03928	1.4
189.01808	0.6
189.31252	0.2
191.03394	2.7
193.05052	0.3
195.06444	0.2
197.00940	0.2
199.03883	0.3
203.03362	1.2
205.04893	1.1
207.02853	1.0
209.00803	0.6
209.04282	0.4
215.03322	0.6
219.02902	0.3
221.04332	0.4
223.07565	0.2
229.04953	0.3
231.02939	0.3
233.04433	1.3
241.04805	0.2
243.02875	0.8
245.04333	0.6
255.06464	0.6
258.05240	0.4
261.03754	1.4
261.14465	0.3
269.08102	0.3
270.05350	0.3
271.05930	0.5
279.06439	0.4
282.04984	0.2
283.05978	2.8
286.04727	1.3
287.05478	6.3
293.07965	0.5
295.05972	2.4
296.06714	0.5
297.07559	12.0
298.07925	0.3
299.05481	100.0
300.05875	4.0
300.09338	0.3
307.05960	0.5
309.07483	1.3
310.04666	1.1
311.01813	0.4
311.05457	8.9
311.09116	2.5
312.05881	0.3
313.03400	0.9
313.07028	3.3
321.07620	3.1
323.05466	2.4
324.06287	2.8
325.03613	1.9
325.07028	32.6
326.07227	1.3
327.04980	1.0
329.06528	3.4
336.06168	0.3
337.07010	3.5
339.05212	0.7
339.08603	15.3
340.08853	0.7
341.06567	0.6
349.07040	4.3
351.04895	0.6
353.06543	45.2
354.06732	1.8
355.07910	0.2
365.06534	11.8
366.06839	0.5
367.08081	3.2
371.07660	0.3
377.06549	10.5
378.06799	0.3
383.07602	18.0
384.07834	0.9
387.16714	0.3
395.07584	19.9
396.07922	0.9
413.08649	19.7
414.08899	0.8
431.09692	12.9
431.22711	1.5
432.10092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.9
55.05519	6.6
56.05040	6.4
59.00879	5.3
59.04988	15.6
61.02913	7.8
67.05492	16.4
69.03415	19.3
69.07064	6.8
70.06583	27.1
71.04974	5.7
71.37982	10.8
72.08145	8.3
79.05473	8.7
81.03408	22.5
81.07049	15.8
81.92919	5.4
83.04952	9.6
84.08145	10.9
85.02908	31.0
86.09695	24.5
91.05469	18.8
93.07032	17.7
95.04964	14.1
95.08627	12.5
97.02881	17.5
98.09706	6.3
101.06001	20.6
105.07037	31.2
107.04941	6.9
107.08584	81.4
108.08118	10.2
109.02872	11.3
109.06516	13.7
109.10153	16.7
110.07172	7.6
114.98772	5.7
116.98658	7.9
119.08583	33.7
121.02870	11.8
121.06417	7.1
121.10144	12.1
123.08083	35.6
123.11719	6.1
124.07607	11.6
127.03936	8.0
131.08597	8.0
133.10126	21.8
134.09641	9.7
134.27336	5.8
135.08017	17.9
135.11717	11.9
136.07587	11.6
136.11212	10.1
137.05956	6.5
137.09615	100.0
143.05663	13.4
145.10124	15.3
147.08041	11.5
147.11667	19.4
148.11220	11.2
149.09607	16.0
153.09033	12.6
160.93527	5.0
161.13237	22.4
162.12767	7.6
163.11166	6.7
164.07089	6.7
173.13260	6.8
189.12718	21.9
207.13812	40.4
220.17021	37.1
225.14911	21.3
232.17046	29.3
233.15283	7.5
250.18059	71.2
268.19061	11.8
283.06061	39.2
295.05981	8.4
297.07663	8.7
299.05365	24.7
311.05338	7.6
313.07043	13.0
325.07095	16.1
349.06897	7.6
353.06601	22.7
377.06631	10.1
395.07565	12.1
413.08557	8.6
430.20804	30.4
431.09525	6.8
431.18716	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	430.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.9
55.05519	6.6
56.05040	6.4
59.00879	5.3
59.04988	15.6
61.02913	7.8
67.05492	16.4
69.03415	19.3
69.07064	6.8
70.06583	27.1
71.04974	5.7
71.37982	10.8
72.08145	8.3
79.05473	8.7
81.03408	22.5
81.07049	15.8
81.92919	5.4
83.04952	9.6
84.08145	10.9
85.02908	31.0
86.09695	24.5
91.05469	18.8
93.07032	17.7
95.04964	14.1
95.08627	12.5
97.02881	17.5
98.09706	6.3
101.06001	20.6
105.07037	31.2
107.04941	6.9
107.08584	81.4
108.08118	10.2
109.02872	11.3
109.06516	13.7
109.10153	16.7
110.07172	7.6
114.98772	5.7
116.98658	7.9
119.08583	33.7
121.02870	11.8
121.06417	7.1
121.10144	12.1
123.08083	35.6
123.11719	6.1
124.07607	11.6
127.03936	8.0
131.08597	8.0
133.10126	21.8
134.09641	9.7
134.27336	5.8
135.08017	17.9
135.11717	11.9
136.07587	11.6
136.11212	10.1
137.05956	6.5
137.09615	100.0
143.05663	13.4
145.10124	15.3
147.08041	11.5
147.11667	19.4
148.11220	11.2
149.09607	16.0
153.09033	12.6
160.93527	5.0
161.13237	22.4
162.12767	7.6
163.11166	6.7
164.07089	6.7
173.13260	6.8
189.12718	21.9
207.13812	40.4
220.17021	37.1
225.14911	21.3
232.17046	29.3
233.15283	7.5
250.18059	71.2
268.19061	11.8
283.06061	39.2
295.05981	8.4
297.07663	8.7
299.05365	24.7
311.05338	7.6
313.07043	13.0
325.07095	16.1
349.06897	7.6
353.06601	22.7
377.06631	10.1
395.07565	12.1
413.08557	8.6
430.20804	30.4
431.09525	6.8
431.18716	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	430.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78894	1.6
53.03938	3.0
54.03217	2.1
55.05490	4.2
57.03420	2.8
57.07054	2.4
58.06582	3.1
61.02911	2.8
67.05496	14.2
69.03419	9.1
69.07073	2.7
69.88689	3.3
69.89102	7.8
70.06580	6.7
71.04987	2.8
72.08127	2.2
74.06065	2.1
74.67708	1.9
74.88805	2.0
79.05479	4.0
81.03387	4.7
81.07043	6.1
83.04982	5.1
84.04490	3.6
84.08128	1.9
85.02910	11.9
85.06532	7.2
86.06063	4.6
86.09704	10.3
91.05461	4.5
93.07034	8.6
95.04942	4.3
95.08608	50.9
96.05228	1.9
96.08133	4.8
96.08875	2.4
97.02878	6.2
97.06557	2.9
98.06022	2.0
98.09711	2.3
99.04446	2.5
104.31117	2.0
105.07039	10.8
107.04915	1.7
107.08591	10.0
108.08116	100.0
109.02878	2.5
109.06508	5.7
109.08472	1.9
110.06043	8.2
112.07613	4.6
113.06017	10.1
114.05505	2.3
119.08567	12.8
121.06499	3.8
121.10133	13.2
123.08080	28.2
123.11765	2.3
124.07553	3.8
126.09165	4.1
127.03946	3.4
129.10265	2.1
131.08554	5.7
133.10104	4.3
134.09657	2.5
135.08086	2.2
135.11717	11.7
137.09616	3.8
138.09122	3.6
139.07549	2.8
143.05620	5.1
145.10106	6.1
147.11673	12.4
148.11201	3.9
149.09615	24.9
149.11990	2.2
150.09138	3.0
150.12779	7.2
151.07628	2.9
151.14806	5.3
159.11591	1.9
161.08386	6.7
161.09619	2.0
161.13245	12.5
162.12762	4.1
163.11172	7.1
165.12750	4.8
173.13239	3.7
174.12755	4.1
176.10715	45.9
177.09010	1.8
179.14268	2.7
187.14845	3.8
189.12747	18.2
190.12189	3.9
190.15962	3.6
191.14278	5.7
194.11731	4.5
206.10240	4.5
207.13791	84.5
208.14214	2.2
208.16948	3.6
214.15936	3.0
217.14658	2.2
225.14841	5.1
232.17001	21.4
233.15314	6.5
244.71957	1.8
250.18036	78.3
251.16310	2.7
268.19052	5.5
356.17056	8.7
378.23221	1.9
402.65338	1.8
412.23410	8.9
430.24216	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	430.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.2
55.01664	1.0
55.01876	11.5
55.05514	1.3
57.03437	5.8
61.02926	6.3
67.05493	2.2
68.99774	4.0
69.03078	2.0
69.03432	30.1
69.07030	1.3
70.19431	5.4
71.04994	6.4
72.21461	1.1
73.02920	10.4
78.66813	1.1
79.05481	2.7
81.03418	35.3
81.07045	3.5
82.58121	1.2
85.02906	100.0
87.00832	33.8
87.04459	1.7
91.03946	3.7
93.07021	1.8
95.08585	2.4
97.02890	38.6
98.06043	2.4
98.20827	1.4
99.04461	19.0
105.01871	33.8
105.07036	3.0
107.08530	2.4
108.04482	12.2
109.02879	35.0
117.01837	5.0
119.08561	1.1
126.05488	5.8
127.03915	86.9
129.01826	4.7
133.06438	1.2
137.05978	3.1
143.05621	2.0
145.04961	40.3
146.88326	1.0
147.02917	5.4
159.02893	28.8
165.09172	2.6
167.07057	1.7
177.03897	2.8
189.09126	4.7
207.10228	2.0
212.05597	1.9
213.03958	5.5
217.47746	1.1
230.06596	2.9
231.05003	17.0
231.10147	3.7
248.07593	3.3
255.10068	1.2
269.08060	1.6
273.11292	3.1
287.05478	12.4
430.21500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.5
55.01872	5.0
55.05500	4.3
56.96553	8.6
60.04515	13.7
65.03944	9.0
67.05517	14.1
67.09917	4.8
69.03428	13.0
70.06586	10.7
70.84405	4.5
71.55158	5.0
71.59747	9.5
82.06635	4.9
83.04967	34.1
84.04520	16.9
84.08138	5.8
85.02924	14.4
89.03895	10.8
91.05444	6.7
93.03378	9.9
94.06577	5.9
95.04969	29.8
98.06048	5.9
98.98485	5.0
100.04038	5.7
102.05537	5.5
103.03942	6.0
103.05453	5.4
105.07048	8.8
105.18448	5.2
107.04958	11.9
111.04434	36.0
117.03397	12.3
118.06531	8.9
119.04961	9.0
120.08083	13.5
121.02853	10.7
121.06555	5.0
123.04446	57.4
129.05463	13.4
131.04938	9.5
132.08092	7.3
133.02881	17.4
134.01178	5.1
134.06042	6.5
135.04402	22.0
136.07559	10.8
137.06030	7.6
138.05447	5.9
138.09186	6.3
139.03880	25.6
145.02838	19.6
145.06493	15.3
146.04930	4.9
146.06023	19.4
147.04413	18.7
147.48315	7.1
148.07596	14.7
149.02330	13.6
149.05956	5.5
150.05486	11.1
151.03922	15.1
152.07111	7.6
157.05013	5.5
161.05965	9.8
163.03918	100.0
164.07089	47.1
165.05461	11.9
166.08604	5.3
174.05508	15.6
176.07095	18.3
177.01804	11.8
177.05486	13.4
178.05025	8.5
178.08626	14.8
179.03381	14.3
182.08176	9.2
188.07108	7.8
189.05504	10.5
192.06584	31.1
193.05025	11.4
193.06923	6.5
194.04486	19.2
194.08075	9.4
195.02872	12.6
202.04924	14.3
203.03485	9.9
204.06419	6.1
206.08125	31.4
220.06018	34.2
221.04430	7.9
238.07126	27.3
256.08130	8.3
293.18649	5.1
412.12299	21.5
430.13577	25.4
437.93689	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	429.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
54.13144	0.5
55.05503	2.3
57.03439	5.7
57.07071	1.0
65.67365	0.5
67.05502	8.7
69.07069	2.8
70.66595	1.9
79.05501	7.8
81.03423	0.7
81.07059	11.3
83.08627	1.2
85.06547	0.8
91.05467	5.6
93.07047	11.5
95.04930	1.2
95.08619	7.9
97.10136	0.6
98.98447	1.1
105.07023	4.4
107.08591	8.0
109.10164	3.8
111.08056	0.7
113.00021	100.0
114.00384	0.8
117.07021	1.7
119.08633	2.7
121.10161	6.7
123.11679	1.3
131.01035	1.1
131.08574	4.9
133.10132	2.4
135.11688	7.1
137.13280	1.0
145.10117	4.4
147.11679	2.4
149.13245	4.3
153.12695	0.7
155.01054	0.7
159.11681	2.4
161.13289	1.9
163.11136	0.7
163.14853	3.2
169.02617	89.5
170.03017	1.3
173.13237	3.1
173.75128	0.6
177.16391	0.8
187.14777	2.1
233.22635	0.9
243.21054	6.8
261.22153	19.7
262.22476	0.8
275.23495	1.0
309.19962	0.6
429.11603	0.6
429.24146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
51.25446	0.4
53.03935	0.6
54.46254	0.4
55.05495	1.7
55.05742	0.5
56.05035	0.7
57.07079	12.8
59.06131	2.4
60.05674	0.5
67.05505	3.5
68.05028	1.2
69.04550	0.6
69.07064	4.5
70.06589	0.5
71.08631	10.6
71.60353	0.5
79.05482	1.2
81.04546	0.4
81.07059	5.7
83.04990	0.8
83.06094	0.5
83.08614	2.6
84.05620	0.6
85.07661	3.3
85.10185	5.5
91.05473	1.3
93.07043	1.5
93.34287	0.4
95.06118	0.7
95.08611	6.3
97.07648	0.7
97.10183	1.2
105.07034	1.4
107.06067	0.5
107.08581	3.9
109.06493	0.6
109.07640	0.8
109.10160	5.0
110.07164	3.7
111.04419	0.6
111.07989	0.7
111.09229	1.1
111.11701	0.5
112.08741	1.3
119.08562	2.4
121.06487	1.4
121.10156	2.4
122.07195	1.7
123.06668	0.6
123.08044	1.1
123.11712	1.3
124.08729	0.7
125.13276	0.6
126.10244	0.4
127.09772	1.4
131.08574	1.3
133.07578	0.5
133.10107	0.6
134.07156	1.4
135.06613	0.7
135.08069	3.4
135.09059	0.6
135.11679	1.6
136.08762	3.4
137.08241	1.2
137.09608	7.2
137.13269	0.5
138.06697	0.5
138.10208	0.7
139.07545	1.7
145.10150	1.0
146.07135	0.7
147.11653	0.8
148.08669	0.6
149.08258	1.3
149.09602	11.1
149.13248	0.6
151.07547	1.5
151.09747	0.9
151.14822	0.4
152.08197	0.5
153.09084	0.6
159.08047	0.8
159.11694	2.6
160.08751	0.5
161.08255	0.6
161.09552	0.9
162.06718	0.5
163.07463	0.5
163.09857	1.0
163.11179	17.4
164.08328	5.4
165.09117	100.0
166.09462	2.1
172.08824	0.8
173.08218	0.9
173.09631	1.4
173.13303	2.0
174.07703	0.5
174.10439	0.7
175.09801	1.1
175.11206	4.6
176.08286	1.4
177.09117	9.7
177.11388	0.6
177.12680	2.0
178.09644	0.6
179.09235	0.7
179.10617	1.0
181.69392	0.4
186.10335	1.0
187.09717	0.9
187.11214	2.4
188.09291	0.7
189.09055	0.8
189.12802	1.7
190.09784	0.9
191.10655	9.8
191.14384	0.7
192.12471	0.4
193.12216	0.6
199.09761	0.5
200.09341	0.6
201.12787	3.7
202.10983	0.5
203.10631	1.4
203.14337	0.7
204.11314	0.5
205.12244	10.9
206.12498	0.5
214.10919	1.1
215.10460	0.5
215.14304	1.5
216.12442	0.5
217.16089	0.5
219.13817	6.0
226.11034	0.6
227.56921	0.5
229.16017	0.5
233.15370	2.4
238.11145	0.5
239.10292	0.6
247.17000	1.1
253.11879	0.4
255.13480	0.7
256.13129	0.7
261.18451	1.1
263.10446	0.5
275.20169	1.3
277.11850	0.5
289.21564	1.3
303.23181	1.7
304.13263	0.7
317.24518	0.8
321.15616	0.5
331.26062	0.6
345.28043	0.8
346.14996	0.5
359.29077	0.6
373.31082	0.9
401.34113	2.7
411.36166	2.0
429.31833	3.8
429.37241	31.3
430.32425	0.6
430.38016	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	429.212
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
51.92948	1.0
53.03938	5.7
55.01867	5.1
55.05511	15.1
56.96573	1.2
57.03439	14.2
66.46815	1.3
67.05179	1.2
67.05505	16.4
69.03429	28.3
69.07064	7.8
69.34132	12.3
70.40073	1.2
71.01353	1.7
71.04979	5.4
73.02924	1.8
79.05494	17.9
81.03416	87.5
81.07048	18.3
83.04985	19.3
83.08140	2.1
83.08616	26.6
85.02903	25.0
85.06529	2.5
87.04485	2.3
91.04029	1.1
91.05478	18.8
93.07034	13.2
95.04961	25.5
95.08598	7.0
97.02890	52.7
97.06514	3.7
97.10159	4.9
98.06498	1.1
99.04471	8.7
101.02379	1.9
103.03944	2.2
105.07027	14.6
107.04958	5.2
107.08607	6.5
109.02869	12.7
109.06499	4.6
109.10161	3.6
111.04427	8.4
111.08090	10.7
115.05441	1.5
117.07007	1.8
119.08588	17.7
121.06468	3.3
121.10110	7.4
123.04443	2.7
123.08055	1.8
123.11681	1.2
125.09631	3.4
127.03928	13.8
129.05482	4.3
129.07005	9.3
131.08562	9.3
133.06500	3.4
133.10121	7.8
135.11679	2.4
137.05971	2.6
142.07785	2.0
145.04967	1.5
145.10103	1.9
147.08096	1.4
147.11685	14.4
149.09660	6.3
153.12784	1.3
157.10120	12.3
163.11221	3.5
165.09235	1.4
165.12714	3.4
167.07066	1.4
173.09654	1.6
175.11166	14.9
181.12286	3.3
183.06485	2.6
189.11217	2.3
189.12793	2.4
191.10620	2.2
193.12245	61.5
200.81335	1.2
201.07509	1.1
211.13281	100.0
212.13689	1.4
217.12251	1.8
227.12805	3.9
229.14371	5.0
235.13348	1.8
249.14812	7.4
265.14282	1.7
267.15976	2.5
269.10703	1.7
277.14328	1.6
283.15408	1.5
285.16934	20.1
301.14346	1.5
323.10782	1.4
337.16479	2.9
355.17593	4.8
375.17963	1.8
393.18750	2.6
411.19897	6.2
429.21201	63.4
430.21335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.8
55.01865	5.8
55.05511	17.6
56.96557	5.7
57.03439	16.4
57.07048	2.2
61.02916	4.6
61.45909	1.6
65.03941	1.8
67.05504	25.0
68.34845	1.5
69.03082	2.2
69.03430	32.3
69.07070	11.8
69.94904	3.3
69.95314	7.1
71.05000	10.3
73.02908	5.2
76.95628	1.4
79.05071	1.8
79.05499	20.8
81.03419	96.4
81.07060	31.0
83.04982	24.8
83.08619	25.2
85.02905	29.6
85.06532	2.1
87.04447	1.9
91.03963	4.5
91.05470	28.0
93.07051	17.6
95.04966	26.1
95.08605	13.1
97.02892	52.1
97.06542	6.2
97.10167	5.8
99.04452	7.0
101.02379	3.1
105.07039	21.5
107.04949	8.3
107.08601	12.4
109.02871	16.2
109.06535	6.6
109.10178	5.3
111.04436	8.8
111.08074	11.2
113.05975	2.9
117.07040	4.0
119.04962	3.1
119.08582	22.5
121.06507	3.7
121.10142	12.0
123.04435	2.7
123.08041	3.2
123.11685	3.6
125.09641	2.3
127.03925	14.6
129.05473	5.9
129.07002	10.6
131.08568	12.1
133.06467	4.1
133.10155	10.9
135.08078	2.8
135.11667	3.2
137.05946	3.9
137.09564	3.3
142.07770	3.0
143.08534	2.6
145.04897	1.9
145.10121	4.5
146.99600	1.7
147.08046	3.9
147.11710	20.5
149.02364	3.9
149.06036	2.3
149.09605	5.9
149.13266	1.9
151.07593	4.2
151.11201	2.0
153.05515	2.5
157.10139	13.5
159.11681	2.6
163.11154	5.0
165.09076	3.7
165.12773	6.4
167.06964	2.1
169.10167	1.7
171.11662	3.2
175.11157	16.6
181.12245	3.4
183.06549	3.3
189.11241	2.5
191.10712	3.8
193.04990	1.8
193.12247	68.7
201.07585	2.8
207.13739	1.8
210.47728	1.5
211.13295	100.0
212.13628	2.3
227.12808	4.4
229.01785	1.7
229.07660	3.2
229.14389	4.2
235.13222	3.3
249.14845	9.3
267.09100	3.0
267.15802	3.9
269.10617	2.8
269.17474	1.8
285.10126	10.1
285.17007	18.7
309.16925	3.2
313.16678	2.7
316.11749	3.9
319.15009	1.9
324.11597	3.9
337.16711	2.8
348.15289	1.6
355.17514	3.8
373.68719	1.6
380.76529	1.5
387.03198	2.0
393.18951	1.9
411.20270	4.2
411.28540	1.9
429.21219	64.4
429.26147	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2119
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	13.3
55.01868	8.1
55.05516	17.9
57.03442	32.0
61.02924	41.7
65.03948	5.2
67.05505	42.1
69.03426	23.3
69.07037	6.8
69.29800	35.4
69.51302	3.3
70.06618	5.4
71.01344	8.7
71.04972	5.2
73.02911	15.6
79.05489	40.0
81.03419	97.1
81.07056	33.9
83.04976	13.3
83.08622	18.0
85.02905	53.3
86.09728	3.7
91.03963	17.2
91.05477	43.2
93.07042	29.1
95.01322	7.1
95.04367	5.5
95.04971	100.0
95.08620	12.0
97.02895	38.6
97.06546	9.8
97.10165	8.2
99.04486	10.6
103.03947	13.1
105.07016	34.4
107.04964	29.1
107.08561	19.1
109.02861	19.8
109.06520	16.8
109.10139	6.9
111.04448	9.8
111.08081	9.4
115.05474	5.2
117.07015	13.8
119.04938	6.7
119.08592	26.3
121.02898	4.4
121.06519	14.5
121.10126	11.2
123.04430	65.3
123.08089	3.9
125.09636	8.1
127.03932	16.2
128.06171	3.7
129.06995	20.8
131.04922	8.3
131.08595	19.8
133.06490	11.6
133.10161	7.4
135.08073	6.9
135.11691	16.6
137.05966	14.6
137.09639	4.1
143.05644	17.1
143.08582	7.3
145.05084	3.4
145.06473	9.7
145.10115	18.5
147.04411	12.5
147.08060	11.6
147.11699	13.9
149.06012	8.6
149.09610	6.4
153.09084	8.4
157.06523	4.2
157.10144	10.4
159.08035	6.1
159.11655	5.6
161.06013	15.3
161.09633	7.8
163.11195	27.5
165.12717	6.0
167.07028	17.1
169.06467	3.8
171.08051	7.2
171.11679	7.9
173.06064	5.6
173.09619	10.1
175.07542	8.9
175.11179	7.7
187.07404	4.8
189.05484	7.8
189.09109	5.4
189.12787	13.1
193.12248	40.2
199.11320	4.2
201.09140	4.7
205.12193	8.6
207.13762	18.8
211.13271	12.5
217.12311	8.5
219.10107	5.2
223.13252	6.0
235.13283	86.7
249.14948	11.3
253.14394	9.4
259.13394	18.1
261.14865	5.4
267.15878	34.6
273.14801	28.4
277.14368	10.0
283.13373	4.8
289.14246	6.9
301.14319	30.2
308.07410	3.5
309.16962	48.1
319.15442	8.3
333.17014	3.8
351.17984	6.4
375.17999	25.8
393.19052	14.9
411.20007	12.6
429.21341	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55563	0.6
53.03946	0.7
55.01878	0.9
55.05515	1.6
57.03447	1.1
60.04526	1.1
61.02918	0.7
67.05505	2.3
69.03428	3.5
69.07060	1.5
70.06584	4.6
71.04997	1.2
71.60786	1.1
72.08151	2.2
79.05486	1.8
81.03432	3.5
81.07054	3.5
83.04994	1.1
84.04512	0.7
84.08137	0.8
85.02917	2.4
86.09712	10.7
91.05476	2.7
93.07055	2.3
95.04990	2.3
95.08622	1.7
97.02913	3.1
97.06537	1.3
99.04479	0.7
105.07053	2.6
107.04968	0.9
107.08612	1.8
109.02893	2.0
109.06556	0.9
109.10169	1.3
111.04423	0.9
111.08118	0.7
112.03968	0.6
116.07087	4.8
116.79479	0.5
119.04974	0.6
119.08598	1.7
121.06489	1.0
121.10143	2.0
123.04421	1.4
124.07648	0.9
127.03955	1.2
128.10701	1.0
131.04947	0.8
131.08601	1.8
136.07625	0.6
137.06058	1.5
139.03996	0.6
141.06944	0.8
143.05649	2.3
145.09035	0.7
145.10187	1.0
147.04413	0.7
147.11743	2.3
165.12791	1.5
167.07072	2.3
168.71712	0.6
173.12872	4.0
174.06871	0.8
175.11250	0.7
177.05380	0.9
179.07098	1.3
193.12297	1.6
201.12369	5.6
207.06543	1.1
209.23775	0.6
211.13390	2.0
229.15544	1.9
237.02866	0.7
249.11275	0.7
249.14595	0.6
267.12125	2.3
267.15802	1.3
275.07391	3.7
287.05603	1.2
314.20602	1.0
411.19833	1.6
429.21088	100.0
430.21384	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01873	3.8
55.05318	0.5
55.05513	6.7
57.03445	3.3
57.07080	8.5
59.04979	1.1
61.02930	2.7
67.05487	0.8
68.99786	1.0
69.03092	1.0
69.03433	12.5
70.06574	1.5
71.04987	2.4
71.67633	0.7
73.02919	3.1
81.03421	12.9
81.07067	1.4
83.01316	0.7
83.04971	1.3
83.08632	3.2
85.02910	34.4
85.06540	0.9
86.09715	1.0
87.00304	1.0
87.00833	12.5
87.04482	0.9
89.05487	1.4
89.06037	25.0
91.03940	1.0
91.05481	0.9
93.07013	0.9
95.04955	1.2
97.02898	12.1
99.04458	6.6
101.09654	11.5
103.80773	0.7
105.01874	9.1
105.07048	1.2
107.07070	28.3
109.02883	11.2
109.10130	0.6
117.01856	1.7
119.08611	0.6
121.10086	0.6
123.04423	1.2
123.08161	0.7
127.03922	17.4
128.90462	0.7
129.01843	1.4
131.08574	0.6
143.05681	1.0
145.03000	0.7
145.04965	6.9
145.12250	1.1
147.02887	0.8
157.10165	0.7
159.02895	6.1
163.13301	100.0
164.13617	1.4
167.07050	0.9
175.09026	0.6
213.04028	1.8
231.04965	3.0
235.13446	0.7
276.12201	0.8
287.05515	0.9
309.17188	0.9
371.40341	0.7
404.43918	0.7
418.35480	0.7
428.17050	0.8
429.16638	0.8
429.21600	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01876	4.6
55.05502	0.6
56.83265	0.3
56.96542	1.0
57.03417	0.5
60.00884	0.4
61.02927	2.2
65.03938	1.5
66.22330	0.3
67.05491	0.9
68.99792	1.0
69.03423	1.5
69.49193	0.3
70.06596	2.3
71.01360	0.5
71.43951	0.8
72.08145	0.9
73.02903	0.5
74.02451	0.8
77.03875	0.3
79.05470	1.0
81.03417	1.7
81.07057	0.8
83.01331	0.4
83.04982	0.4
84.04514	0.4
84.08126	0.5
85.02895	2.0
86.03518	0.4
86.09684	0.8
87.05604	1.9
88.03970	0.6
89.03906	0.5
91.05482	3.2
93.03393	2.0
93.07025	1.4
94.06584	0.4
95.04974	1.2
97.02884	1.4
98.97599	0.4
103.05474	4.5
105.03400	1.2
105.07012	1.0
107.04961	2.4
109.02891	2.3
109.06516	0.4
111.04422	1.1
115.05468	1.1
116.03459	0.5
117.03407	0.8
117.06963	0.4
118.04166	0.4
119.04939	7.5
120.08100	100.0
121.02862	33.0
121.06504	0.9
121.08456	1.6
122.03172	1.0
123.04443	0.5
131.04916	2.0
133.02841	0.5
133.06070	7.4
135.04422	2.2
139.03857	0.7
139.11208	0.5
143.05699	0.6
145.02841	5.7
145.06458	0.5
147.04393	2.9
149.02396	0.5
149.05972	1.2
151.03909	1.1
153.01839	0.5
159.04419	1.7
161.02342	1.5
161.05991	0.9
163.03902	2.0
163.08652	0.9
165.01834	0.8
167.03371	1.2
167.07036	0.4
168.04156	0.7
171.04401	0.9
173.02365	0.9
173.05960	0.8
174.03142	0.4
175.03918	2.7
176.01044	1.5
177.01834	3.2
177.05473	1.8
179.03377	2.7
181.04996	1.0
185.02362	0.4
185.05917	0.6
187.03905	2.8
188.04515	0.4
189.01820	7.5
189.05478	1.9
190.02536	1.6
191.03389	6.3
193.04964	1.2
194.02129	2.2
195.02910	6.4
197.04385	0.8
197.05998	0.6
199.03931	0.9
201.01834	0.8
201.05510	0.9
202.02574	0.7
203.03383	7.2
203.12817	0.8
204.03917	0.7
205.04967	2.9
207.02887	11.4
207.06245	0.6
208.03593	1.8
209.04385	0.8
211.03847	0.5
215.03343	1.8
216.04117	0.7
217.04938	4.8
219.02867	4.4
219.06467	0.7
220.03641	0.6
221.04448	3.8
225.03757	0.6
225.05644	0.7
227.03409	1.9
231.02840	1.4
233.04489	3.2
234.06844	0.6
235.05919	0.6
237.05405	0.5
239.07104	0.7
243.03017	0.5
243.06619	0.4
245.04497	2.8
249.03845	0.5
251.07028	0.7
253.04871	0.8
254.05568	0.5
255.02966	0.9
255.06389	0.4
256.07355	0.3
261.03812	0.8
261.09027	0.4
262.06247	0.4
263.07605	0.4
263.10211	1.0
265.07062	1.5
267.06610	3.1
267.14917	18.7
268.07294	3.2
268.15231	0.7
269.08130	0.4
270.05408	0.4
271.06125	0.6
273.03854	2.0
277.08536	0.8
278.05759	0.6
279.06540	3.4
280.07266	2.6
280.12885	3.4
281.04755	0.8
281.08038	1.9
283.06009	2.3
284.06812	1.4
289.08334	0.6
291.06570	2.0
292.07217	1.8
293.08087	5.0
294.05228	19.8
294.08566	1.4
295.05991	34.5
295.09113	1.2
295.14413	3.3
296.06619	5.5
297.07474	4.6
297.14548	0.5
298.08301	1.1
303.06543	0.5
304.07364	0.8
305.08069	2.6
306.08850	1.6
307.05997	45.5
307.09158	1.7
308.06693	17.4
308.10303	0.7
309.03983	0.4
309.07449	7.6
310.08182	1.1
313.07013	2.6
317.08066	1.5
318.08951	0.4
319.06064	8.3
319.09583	0.4
320.06705	5.4
321.07535	17.6
322.04535	0.4
322.08206	6.5
323.05444	1.4
323.09106	3.3
325.07047	34.9
326.07343	2.6
329.07935	0.5
331.05917	0.4
332.06659	0.7
333.07562	4.7
334.08203	3.7
335.05493	1.0
335.09091	8.5
335.17233	0.8
336.06171	3.8
336.09662	0.6
337.07031	50.7
338.07419	4.9
339.08490	2.7
345.07553	4.1
346.07785	0.4
347.05493	0.6
348.06241	1.1
349.07031	13.0
350.07520	2.7
351.08615	20.7
352.08914	1.7
353.06439	0.8
355.08536	0.6
361.07007	1.9
362.07642	0.7
363.08582	15.2
364.08762	1.2
365.06445	0.8
367.08118	16.9
368.08524	1.7
373.06964	2.9
379.08099	37.9
380.08453	4.0
381.09436	0.5
381.19424	0.4
391.08102	37.2
392.08362	3.8
395.22031	0.4
397.08847	0.5
399.08768	1.0
409.09167	46.7
410.09470	4.5
427.10269	96.5
427.19513	5.7
428.10605	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	427.1963
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03947	3.7
54.62459	3.6
55.01870	9.6
55.05507	8.0
56.96577	6.1
57.03428	10.7
59.39895	3.5
61.02914	15.0
65.03938	4.7
65.85582	3.6
67.05495	16.7
69.03429	48.6
69.07063	5.4
70.06584	15.0
71.04985	7.5
71.58871	3.8
71.59246	3.4
72.08146	6.6
74.06086	3.7
79.05494	9.0
81.03418	14.9
81.07063	12.6
84.05255	3.3
84.08143	3.8
85.02420	6.9
85.02901	82.3
86.09676	7.2
87.04479	6.3
91.03988	4.0
91.05480	26.4
93.07037	17.2
95.04954	23.0
95.08614	7.0
97.02902	31.5
97.06536	3.3
98.09689	6.2
98.97575	10.9
99.04459	9.8
105.07014	24.4
107.08595	7.2
109.02877	10.9
109.06526	14.7
110.07192	3.7
111.04435	13.2
111.08057	5.2
113.05984	3.6
116.98588	7.6
117.03391	5.1
117.07014	7.8
119.04919	8.0
119.08573	33.8
121.02885	9.8
121.06491	15.9
121.10124	8.1
122.03220	4.6
122.06066	3.6
123.04400	9.9
123.08065	9.6
124.07607	4.1
127.03899	20.9
129.06996	3.9
129.10313	3.3
131.04948	4.6
131.08553	13.5
133.06500	6.2
133.10123	9.0
134.99649	4.5
135.04445	4.2
135.08041	34.1
137.05945	5.7
137.09639	10.4
137.86102	3.2
139.03915	16.7
139.07581	3.4
142.07828	4.4
143.08559	8.9
145.02849	10.7
145.04887	7.8
145.06555	5.5
145.10150	15.2
147.04410	20.0
147.08008	16.5
147.11713	9.0
149.05972	4.4
149.09593	11.2
150.05507	3.4
150.07732	45.0
151.03911	3.5
153.05533	3.3
156.09332	3.8
157.10114	13.2
158.07304	8.5
159.08005	19.7
159.11685	16.4
161.06035	5.4
161.09625	19.9
163.03889	17.5
165.09134	10.1
167.07104	3.9
171.11792	4.6
172.08810	6.2
173.09550	8.3
173.13292	9.7
175.03954	16.0
175.07567	29.2
175.11189	20.7
177.05458	16.6
179.03403	11.1
184.93216	3.2
185.09587	3.5
187.03908	4.8
187.11169	17.6
189.09035	7.0
189.12758	7.0
191.03322	6.5
191.06786	3.4
193.08623	7.9
199.11128	9.6
201.12779	15.9
203.10675	32.6
203.12790	9.6
207.06540	10.6
211.11200	9.0
217.12238	13.6
219.06537	10.6
219.13759	9.1
226.46678	3.6
229.12303	21.9
233.04517	5.6
235.13255	8.5
242.07982	16.1
247.13281	56.9
257.04468	3.6
265.07077	18.9
265.14328	100.0
265.17181	5.1
266.14529	4.9
269.54147	3.6
275.05496	4.3
287.05435	6.1
295.06116	7.7
295.11511	9.7
339.11047	6.0
349.06964	6.9
409.09299	7.0
427.10321	8.5
427.14993	18.9
427.20474	57.3
428.20013	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	427.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
55.05509	2.6
56.96568	1.5
57.07067	1.7
67.05501	4.5
69.03413	3.0
69.07062	5.8
70.28214	1.0
71.04990	1.4
71.21126	1.2
71.21467	2.5
79.05494	5.1
79.07787	1.0
81.03406	2.4
81.07054	6.4
83.04955	1.1
83.08625	1.1
85.02888	1.2
91.05487	3.6
93.07034	2.9
95.04972	1.3
95.08601	4.8
97.06528	15.9
105.03400	1.3
105.07026	2.8
107.01315	4.3
107.04989	1.6
107.08597	2.4
108.02115	2.5
109.02869	2.6
109.10093	1.5
119.08581	1.8
121.06498	1.8
121.10140	1.4
123.08076	1.1
125.02372	1.3
129.06985	2.1
131.08557	1.6
133.02835	2.5
133.10104	1.4
134.03609	4.3
135.11722	1.1
139.05367	1.2
139.11143	1.1
145.10074	2.2
148.05179	4.4
153.01819	3.7
154.02638	2.7
157.06517	2.4
159.11707	1.1
161.09512	1.1
161.13272	2.2
165.09195	1.3
168.05644	3.0
171.02974	2.2
175.03911	1.9
178.05835	1.2
182.02119	1.5
183.02925	3.0
185.06000	6.6
192.04089	1.3
196.05246	3.0
200.03140	1.4
203.12811	2.5
213.05478	8.3
223.03894	3.3
230.05710	1.6
233.25949	1.1
241.04941	17.7
242.05762	2.0
255.06508	1.6
256.07291	14.9
257.04376	1.6
258.05371	1.7
259.06009	3.8
269.04428	9.7
270.05154	2.7
282.05014	1.2
284.06793	61.6
285.07178	2.5
286.04688	9.7
287.05450	2.9
298.04706	1.5
301.00064	1.3
301.03604	2.1
301.07025	25.3
312.06281	45.8
313.06949	1.5
314.04169	1.8
314.07816	1.2
315.04932	3.4
316.05768	10.4
329.06564	45.6
330.07333	100.0
331.08118	62.1
332.08438	1.6
357.05731	1.7
409.29935	1.6
427.09146	1.4
427.14008	15.8
427.28107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17199	3.6
53.85987	2.9
55.01877	4.4
69.03440	4.0
69.07086	3.2
69.60887	23.4
70.06606	6.4
85.02901	5.0
86.09734	2.9
91.05491	6.5
92.43948	3.0
93.07042	4.3
95.04963	3.6
98.97555	4.9
104.26492	3.3
107.08621	4.2
109.02841	3.1
116.98582	5.0
118.07632	3.5
119.04954	7.6
121.02853	12.1
127.03932	5.1
143.05630	6.7
145.02794	4.1
146.99612	3.7
167.07065	4.5
169.64671	3.5
207.02776	3.6
207.06544	10.0
215.03534	3.1
257.87817	3.8
283.12378	8.5
294.05267	7.8
295.05988	11.7
295.09293	3.9
298.55615	3.6
301.13284	3.4
307.06036	15.9
308.06714	5.5
309.07523	4.2
321.07391	6.8
325.07001	17.8
335.09235	3.8
337.07214	16.6
351.08585	10.3
363.08649	9.6
367.08066	4.6
379.08252	20.8
391.08060	14.3
409.09122	25.0
427.10284	28.2
427.17480	100.0
445.17395	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	427.1023
Annotation	Epigallocatechin 3-O-(4-hydroxybenzoate)
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	4.9
55.05496	1.3
56.96563	2.0
59.06123	0.9
65.03931	1.7
67.05493	1.8
68.99783	9.5
69.03419	2.2
69.07047	0.7
69.59777	3.9
69.60194	1.2
70.06581	3.7
71.04984	0.8
71.60374	0.6
72.08148	4.3
75.05624	0.8
75.44076	0.5
77.03934	1.4
79.05494	1.8
81.03400	1.8
81.07035	0.7
83.04978	2.3
83.33662	0.6
84.08104	1.0
84.96044	0.8
85.02895	2.8
89.03915	2.1
91.05493	3.0
93.03391	1.8
93.07043	1.3
95.04961	3.9
97.02885	1.3
97.06514	0.8
98.97578	1.8
103.05470	1.3
105.03388	2.2
105.07007	1.1
107.04958	3.4
108.08153	0.6
109.02872	1.4
111.00783	4.2
111.04432	4.3
115.05482	0.5
116.07036	0.6
116.98648	2.1
117.03374	1.5
118.91277	0.5
119.04941	2.7
121.02863	3.4
121.06426	1.0
122.06013	1.5
123.04427	58.6
125.07116	0.9
127.03896	5.4
128.06233	0.6
131.04918	1.6
133.02838	0.9
134.56328	0.7
134.99661	1.0
135.04410	17.8
137.02328	2.0
137.05997	3.6
139.03896	100.0
140.04233	0.8
141.01859	1.4
141.07024	0.7
143.05708	0.7
145.02823	2.0
145.06546	1.6
146.99712	1.1
147.04375	6.5
149.02350	2.4
149.05989	2.4
150.07750	14.2
151.03888	7.6
153.01799	1.2
153.06958	1.6
155.04916	1.0
157.06523	1.0
159.04424	2.2
161.02431	0.8
161.05974	1.9
162.05533	1.0
163.03906	28.3
164.04301	1.3
164.06956	0.9
165.01907	1.5
165.05478	6.2
167.01982	0.8
167.03410	15.2
167.04733	0.6
169.06432	1.0
171.04358	1.1
173.05980	2.6
175.03886	8.6
175.07477	1.0
175.24240	0.6
177.00648	0.7
177.05437	7.6
179.03391	14.8
181.04962	0.9
181.06474	1.7
183.04372	0.9
185.06013	1.9
187.03905	6.0
187.07478	0.8
189.05415	6.9
191.03389	37.4
193.04956	9.3
197.06033	1.6
201.05470	11.5
202.06194	0.7
203.03406	24.2
203.07086	0.9
203.12779	1.7
205.04965	5.7
209.06017	1.3
213.05460	4.0
213.08788	0.8
215.03398	2.8
217.04918	4.3
219.01802	0.8
219.06503	1.4
223.02638	1.0
227.07121	1.3
229.04971	16.0
230.05525	1.2
231.06535	2.1
233.04433	16.8
235.02350	0.9
237.00694	2.8
237.02826	1.1
237.05482	1.2
241.04987	3.0
245.04454	12.3
247.06032	19.1
247.13133	0.9
251.05434	6.7
255.01759	1.5
255.06595	4.3
257.04459	30.6
258.05106	2.0
259.06027	9.8
265.07120	1.6
265.14520	0.9
269.04367	2.8
271.06036	6.2
273.07471	1.1
275.05496	43.2
279.06619	0.7
283.05997	15.2
284.06226	0.9
287.05490	61.5
288.05954	0.9
293.08942	0.8
295.11545	2.7
299.05502	4.7
301.07077	11.6
325.06607	0.8
367.08054	0.9
379.07938	1.0
391.08032	1.7
409.09149	29.6
410.09482	0.9
427.10266	1.6
427.15396	6.0
427.19595	8.1
454.24069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05505	24.2
56.89243	3.0
57.07070	10.0
65.03925	3.9
67.05503	40.9
67.63472	3.3
69.07063	54.7
69.58480	22.3
70.33382	3.4
79.05498	17.5
81.07051	87.7
83.08608	13.3
91.05467	19.5
93.07036	45.7
95.08605	100.0
97.10172	7.7
98.21466	7.7
105.07034	37.8
107.08575	55.8
109.10152	66.3
111.11716	16.3
117.02580	3.2
117.06970	5.4
119.08553	30.6
121.10142	48.0
123.11713	32.5
131.08578	10.7
133.10152	25.7
135.11676	39.0
137.09624	4.7
137.13251	17.4
145.10129	14.3
145.51523	3.2
147.11717	21.2
149.13266	29.1
151.11201	8.9
157.10089	3.8
159.11700	10.9
161.13269	20.6
163.14848	12.9
171.11671	4.0
173.13271	14.3
175.14851	9.3
177.16379	13.7
185.13368	6.3
187.14806	12.2
189.16429	12.2
191.17940	11.8
195.17413	7.9
201.16441	4.9
203.17918	9.4
213.16278	5.7
215.18034	7.9
217.19463	9.1
229.19510	5.3
233.18880	3.7
259.24103	5.1
271.24210	5.2
295.77142	3.8
325.28677	4.0
400.58130	3.5
402.14017	3.7
407.36670	15.3
425.37839	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	4.9
55.05496	1.3
56.96563	2.0
59.06123	0.9
65.03931	1.7
67.05493	1.8
68.99783	9.5
69.03419	2.2
69.07047	0.7
69.59777	3.9
69.60194	1.2
70.06581	3.7
71.04984	0.8
71.60374	0.6
72.08148	4.3
75.05624	0.8
75.44076	0.5
77.03934	1.4
79.05494	1.8
81.03400	1.8
81.07035	0.7
83.04978	2.3
83.33662	0.6
84.08104	1.0
84.96044	0.8
85.02895	2.8
89.03915	2.1
91.05493	3.0
93.03391	1.8
93.07043	1.3
95.04961	3.9
97.02885	1.3
97.06514	0.8
98.97578	1.8
103.05470	1.3
105.03388	2.2
105.07007	1.1
107.04958	3.4
108.08153	0.6
109.02872	1.4
111.00783	4.2
111.04432	4.3
115.05482	0.5
116.07036	0.6
116.98648	2.1
117.03374	1.5
118.91277	0.5
119.04941	2.7
121.02863	3.4
121.06426	1.0
122.06013	1.5
123.04427	58.6
125.07116	0.9
127.03896	5.4
128.06233	0.6
131.04918	1.6
133.02838	0.9
134.56328	0.7
134.99661	1.0
135.04410	17.8
137.02328	2.0
137.05997	3.6
139.03896	100.0
140.04233	0.8
141.01859	1.4
141.07024	0.7
143.05708	0.7
145.02823	2.0
145.06546	1.6
146.99712	1.1
147.04375	6.5
149.02350	2.4
149.05989	2.4
150.07750	14.2
151.03888	7.6
153.01799	1.2
153.06958	1.6
155.04916	1.0
157.06523	1.0
159.04424	2.2
161.02431	0.8
161.05974	1.9
162.05533	1.0
163.03906	28.3
164.04301	1.3
164.06956	0.9
165.01907	1.5
165.05478	6.2
167.01982	0.8
167.03410	15.2
167.04733	0.6
169.06432	1.0
171.04358	1.1
173.05980	2.6
175.03886	8.6
175.07477	1.0
175.24240	0.6
177.00648	0.7
177.05437	7.6
179.03391	14.8
181.04962	0.9
181.06474	1.7
183.04372	0.9
185.06013	1.9
187.03905	6.0
187.07478	0.8
189.05415	6.9
191.03389	37.4
193.04956	9.3
197.06033	1.6
201.05470	11.5
202.06194	0.7
203.03406	24.2
203.07086	0.9
203.12779	1.7
205.04965	5.7
209.06017	1.3
213.05460	4.0
213.08788	0.8
215.03398	2.8
217.04918	4.3
219.01802	0.8
219.06503	1.4
223.02638	1.0
227.07121	1.3
229.04971	16.0
230.05525	1.2
231.06535	2.1
233.04433	16.8
235.02350	0.9
237.00694	2.8
237.02826	1.1
237.05482	1.2
241.04987	3.0
245.04454	12.3
247.06032	19.1
247.13133	0.9
251.05434	6.7
255.01759	1.5
255.06595	4.3
257.04459	30.6
258.05106	2.0
259.06027	9.8
265.07120	1.6
265.14520	0.9
269.04367	2.8
271.06036	6.2
273.07471	1.1
275.05496	43.2
279.06619	0.7
283.05997	15.2
284.06226	0.9
287.05490	61.5
288.05954	0.9
293.08942	0.8
295.11545	2.7
299.05502	4.7
301.07077	11.6
325.06607	0.8
367.08054	0.9
379.07938	1.0
391.08032	1.7
409.09149	29.6
410.09482	0.9
427.10266	1.6
427.15396	6.0
427.19595	8.1
454.24069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05507	19.6
57.07074	6.8
58.67395	4.5
61.09615	5.1
64.16446	4.4
67.05518	35.4
69.07071	45.0
70.85348	12.7
71.04982	7.2
73.84674	4.5
79.05489	25.0
79.80177	4.3
81.07062	100.0
83.08627	15.2
91.05472	16.0
93.07037	49.3
95.08614	91.4
97.10191	8.7
104.85690	4.4
105.07042	29.3
107.08585	70.5
109.10161	76.3
111.11711	7.7
119.08576	50.4
120.75635	4.5
121.10153	52.6
123.11725	39.3
127.11207	17.2
131.08566	9.9
133.10120	25.6
135.11684	57.6
137.13261	22.7
145.10127	22.3
147.11731	27.0
149.13274	42.9
157.10197	8.3
159.11725	22.4
161.13252	28.0
163.14836	21.2
171.11671	7.8
173.13329	12.7
175.14821	26.6
177.16405	21.8
185.13222	7.1
187.14786	12.6
189.16420	23.7
191.17940	16.1
201.16432	10.6
203.17981	15.8
213.16478	7.5
215.17989	12.7
217.19470	14.4
227.18059	6.6
229.19560	12.9
231.21107	9.7
257.22610	7.1
269.22693	5.9
271.24210	6.1
285.25607	6.3
298.25931	5.0
343.30151	7.3
407.36600	16.1
425.37845	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.79927	6.3
55.05511	13.4
58.06425	6.4
66.15227	5.7
67.05509	28.1
69.07074	35.7
71.05375	8.6
71.05724	15.8
74.99446	7.4
78.04541	6.3
79.05502	13.9
81.07066	50.4
83.08624	10.0
93.07049	35.8
94.06786	5.6
95.08615	81.8
100.35133	6.1
105.07022	24.2
107.08613	61.4
109.10160	65.9
111.11713	10.5
118.08079	6.7
119.08592	28.3
121.10130	44.2
123.11717	43.7
123.36627	6.6
129.10014	5.9
131.08621	11.5
133.10139	32.4
135.02939	6.0
135.11722	46.0
137.13246	19.8
145.10109	8.4
147.11711	28.5
149.13278	28.9
159.11700	15.1
160.53923	6.8
161.13278	27.9
163.14833	27.5
173.13261	10.7
175.14838	21.2
177.16345	15.5
187.14894	7.7
189.16420	12.7
191.17892	15.7
201.16417	9.9
203.18124	10.5
215.17902	15.7
217.19493	9.0
231.21077	11.1
243.21178	17.7
245.22604	14.1
257.22665	8.5
259.24435	8.5
271.24118	9.0
282.41782	8.3
285.25873	11.6
285.54633	6.5
329.28369	8.8
406.24838	5.9
407.36703	34.3
425.37878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05504	14.7
56.26155	5.3
57.07069	9.3
57.60625	4.7
67.05504	25.9
69.07061	21.8
70.26047	21.0
71.04977	6.8
79.05481	10.9
81.07054	50.2
82.94201	6.0
83.08612	12.4
91.05483	12.5
93.07047	43.4
95.08617	98.5
97.10182	10.9
98.20734	7.3
105.07011	26.3
107.08597	78.3
109.10158	90.1
111.11671	5.0
119.08583	39.2
121.10150	61.5
123.08121	6.5
123.11726	31.9
133.10124	75.1
135.11673	70.3
137.13287	13.6
145.10141	7.7
147.11693	25.3
149.13255	26.7
159.11719	20.5
161.13278	24.1
163.14841	23.9
173.13344	12.5
175.14813	19.4
177.16374	20.8
179.14365	11.6
187.14830	10.0
189.16408	22.8
191.17952	33.3
201.16399	8.7
203.17972	36.1
205.19484	6.7
207.17415	12.5
213.16489	6.7
215.17973	8.2
217.19455	25.9
245.22701	12.5
269.31662	5.6
297.25714	6.2
351.61127	6.1
407.36710	28.9
425.21497	8.0
425.33081	8.7
425.37946	100.0
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
53.03927	1.7
55.01857	1.9
55.05509	15.5
57.07077	8.9
63.44960	1.8
65.03941	1.8
65.90893	1.6
67.05504	35.9
69.07066	27.1
69.98047	9.5
71.08646	2.5
79.05497	18.8
81.07056	73.8
83.04990	1.7
83.08617	13.8
91.05489	15.3
93.07045	39.8
94.07385	1.9
95.04961	3.4
95.08608	100.0
96.08984	2.1
97.06528	6.5
97.10144	9.4
98.62621	1.7
99.08080	2.7
105.07037	33.6
107.08595	72.5
108.08949	2.0
109.06506	4.2
109.10155	76.9
110.10516	2.1
111.08086	3.8
111.11741	3.6
116.06180	1.9
117.07029	3.1
119.08588	40.9
121.10149	52.6
123.08078	2.8
123.11707	31.1
125.09640	7.1
127.11180	2.2
131.08574	7.8
133.10136	31.7
133.93652	1.6
135.11690	51.5
137.13261	22.9
145.10118	14.3
147.11688	31.2
149.13257	34.5
151.14809	3.8
156.22646	1.8
157.10124	3.4
159.11671	21.0
161.13245	24.9
163.11226	2.6
163.14822	23.9
165.12708	2.0
171.11699	2.4
173.13245	9.7
175.14841	14.4
177.16396	10.8
179.14313	5.3
185.13272	2.3
187.14853	7.2
189.16385	20.6
191.17947	37.5
199.14795	3.1
201.16399	15.6
203.17950	27.2
205.15912	2.1
205.19502	12.1
207.17484	7.3
213.94707	1.9
215.17961	11.1
217.19527	29.8
219.17497	2.6
219.21083	3.8
227.17963	3.6
229.14447	3.3
229.19528	2.8
231.21136	3.2
233.19022	2.1
235.20404	2.0
241.19604	1.9
243.21120	2.6
245.22714	3.8
257.22696	5.5
269.22681	2.4
271.24176	4.2
285.25677	3.0
299.27606	2.2
407.36597	16.2
425.37802	54.9
426.38409	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03947	3.0
55.05510	16.0
55.62051	1.3
56.96565	1.5
57.03433	1.7
57.07073	6.9
65.03936	3.0
67.05505	37.1
69.03429	2.8
69.06721	2.3
69.07071	29.5
77.61471	1.4
79.05489	23.2
81.07059	67.9
83.08620	12.7
91.05479	18.8
93.07044	50.5
95.04985	3.5
95.08606	100.0
97.06554	5.5
97.10170	10.5
98.20763	2.9
104.63618	1.4
105.07026	31.5
106.83843	1.4
107.08592	72.3
109.06519	4.0
109.10158	83.3
111.08104	3.0
111.11739	4.4
117.07027	3.0
119.08580	42.7
121.10144	56.3
123.08041	2.8
123.11712	29.3
125.09646	6.4
127.11221	2.3
131.08598	7.0
133.10121	30.9
135.08041	1.8
135.11688	41.7
137.09543	1.7
137.13231	21.3
143.08562	2.3
144.09406	2.3
145.10130	15.9
147.08095	1.5
147.11690	32.0
147.12791	2.8
149.09680	1.7
149.13257	34.3
151.14871	4.5
157.10141	3.5
159.11694	14.7
161.13251	24.0
163.11206	3.0
163.14809	22.4
165.12778	2.3
165.16452	2.2
170.72766	1.7
171.11739	2.9
173.13248	9.1
175.14844	13.1
177.16373	9.8
179.14371	5.6
187.14751	8.5
189.16388	20.2
191.17937	43.1
191.19574	2.6
199.14903	2.6
201.16411	14.2
203.14294	1.5
203.17969	25.1
203.19740	2.2
205.15895	1.9
205.19496	10.9
207.17513	6.8
213.16379	1.7
215.17924	10.9
217.19530	30.3
219.17438	1.7
219.21034	3.3
229.19644	4.4
231.21227	2.4
233.19066	3.4
243.21130	3.3
245.22614	4.2
255.21132	1.9
257.22687	3.6
269.22760	2.1
271.24332	3.0
275.23712	1.5
283.24368	2.4
285.25708	3.0
299.27252	2.4
315.26886	1.6
333.13486	2.0
407.36783	15.6
425.17969	1.6
425.37930	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1958
Annotation	Lespedezol D5
Peak:m/z	Relative Intensity
55.01866	0.4
55.05507	1.1
65.03940	2.6
65.93508	0.3
66.61425	0.3
67.05508	3.6
67.97603	0.3
68.05826	0.3
69.07050	1.1
69.67788	1.7
69.68192	0.6
71.04985	0.4
79.05481	1.1
81.07048	2.9
82.27999	0.3
82.95741	0.3
83.08617	0.5
89.03943	0.6
91.05479	1.2
93.03420	1.7
93.07054	2.5
93.89768	0.3
95.01347	0.4
95.08601	1.3
105.07023	1.2
107.08604	1.8
109.10149	4.1
112.19206	0.3
117.03372	1.1
117.07026	0.4
119.08575	0.7
121.02872	2.5
121.06464	0.4
121.10175	0.7
123.04455	0.8
123.08078	0.4
123.11695	0.8
131.01280	3.0
131.08553	0.4
133.10104	0.5
135.04440	1.9
135.11674	0.9
137.05997	1.2
145.02837	2.0
145.10205	0.4
147.11729	0.4
149.02339	20.6
151.03920	1.2
153.12814	0.4
161.02341	0.6
163.03912	13.6
163.07489	0.4
167.03406	100.0
168.03784	0.7
169.03790	0.4
175.03951	0.5
177.05487	1.9
181.05011	0.4
189.05495	4.1
201.09184	0.6
201.13025	0.4
203.07005	2.5
207.06500	0.4
215.07054	1.1
249.05476	0.5
256.09738	0.4
259.13242	0.3
267.06512	1.6
271.13327	3.3
285.07578	38.7
286.07852	0.5
289.14328	1.3
299.09137	0.6
310.08337	0.5
325.10730	8.7
327.12238	0.4
339.12326	1.0
343.11722	2.1
389.17282	0.4
407.18484	7.4
425.19373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03936	3.3
55.05508	16.8
57.07066	7.0
64.41705	1.6
65.99780	1.6
67.05164	2.8
67.05504	36.8
67.74511	1.7
69.07069	27.7
71.60771	2.3
79.05493	19.4
81.07054	72.6
83.08618	11.6
91.05475	16.9
93.07042	45.6
95.04977	3.4
95.08603	100.0
95.80646	1.6
97.06517	6.2
97.10175	7.7
105.07028	35.0
107.07858	3.5
107.08590	71.7
109.06518	2.2
109.10155	83.9
110.10469	3.1
111.08026	1.9
111.11725	3.0
117.07018	5.6
117.14536	1.8
119.08578	39.8
121.06464	2.1
121.10142	49.2
123.08089	5.8
123.11714	28.2
125.09637	5.8
131.08543	9.6
133.10127	30.6
135.11688	43.7
137.13249	20.1
143.08537	2.8
145.10107	11.9
147.11674	30.5
149.13260	32.0
151.07542	3.7
151.14847	3.7
157.10129	4.0
159.11679	17.3
161.13252	27.6
163.11145	2.0
163.14827	21.3
165.16360	1.9
171.11734	1.8
173.13228	8.9
175.14810	13.6
177.16391	7.1
179.14325	4.7
185.13148	2.3
187.14828	7.5
189.16347	19.6
191.17950	43.0
199.14772	1.8
199.34077	2.0
201.16367	9.4
203.17943	23.7
205.15858	2.3
205.19521	11.8
207.17473	7.0
213.16296	1.8
215.17932	11.4
217.19524	29.5
219.17436	2.3
219.21086	2.9
221.18973	2.2
227.17842	2.1
229.19521	4.8
231.21234	2.3
233.19058	3.9
235.20627	2.8
241.19455	2.2
243.21054	3.0
245.22658	2.8
257.22559	3.2
284.74231	1.7
299.41141	1.8
302.35107	2.3
341.32410	2.2
351.14505	3.2
355.54980	1.6
367.04794	1.8
370.98880	1.8
407.36829	15.6
425.17603	3.7
425.32224	2.9
425.37753	56.5
425.43484	3.2
426.38034	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
54.95301	0.5
55.01869	1.4
55.05492	1.6
56.96546	0.7
57.03433	0.9
61.02910	2.3
65.03926	0.7
67.05506	3.4
68.50189	0.5
68.99794	3.9
69.03432	3.2
69.07056	2.0
69.73483	3.7
70.06579	0.8
71.04995	0.9
72.08157	0.7
72.20769	0.5
79.05515	3.4
81.03401	2.0
81.07062	5.9
83.04974	0.9
83.08617	1.4
84.08152	0.9
85.02907	1.6
85.43455	0.5
87.00824	1.5
89.03924	6.5
91.05472	3.4
93.07057	3.0
95.04937	1.6
95.08600	3.5
97.02902	0.8
97.06529	0.6
97.08691	0.5
97.10140	1.0
99.04475	1.4
100.11266	1.2
103.05447	0.8
105.07018	3.1
107.04944	1.1
107.08608	2.6
109.02870	2.0
109.06487	1.2
109.10157	2.1
110.10506	0.6
111.08063	0.7
111.74898	0.6
117.03375	21.3
117.07047	1.0
119.01887	2.6
119.04878	0.8
119.08565	2.9
121.06484	1.2
121.10152	1.8
123.08132	0.6
125.09613	0.9
127.03887	1.7
129.01831	4.1
131.04950	0.9
131.08540	1.2
133.10114	2.4
134.03590	1.4
135.04382	2.2
135.11685	1.6
137.06001	1.3
137.09608	0.6
139.30602	0.5
143.01892	1.4
143.08563	0.9
145.02841	54.0
145.10126	1.6
146.03198	2.2
147.02843	1.3
147.04344	1.2
147.11647	1.2
149.05994	8.3
149.09543	0.6
151.03914	0.6
151.07532	1.5
151.11098	0.6
157.03450	1.2
157.10078	1.2
159.11664	1.2
161.02942	1.8
161.09651	0.6
163.03888	2.2
163.07538	0.6
163.11162	0.8
165.09093	2.5
171.11650	1.2
173.09602	0.8
175.04498	0.9
175.11211	0.5
177.05467	100.0
178.05801	3.1
185.02873	0.8
186.05476	1.5
187.00885	1.2
187.07571	0.6
189.09076	0.7
189.12819	0.7
191.14204	0.7
195.06471	0.5
196.13179	0.6
201.03777	0.7
203.10550	0.7
207.06514	1.2
215.06989	1.4
219.06660	0.7
227.05247	0.9
227.12825	1.3
229.01802	0.6
233.08089	0.9
243.04642	4.5
245.06367	3.9
245.15259	0.6
257.04422	0.7
257.08154	0.8
258.05399	0.7
261.07541	3.6
271.04245	0.7
285.07632	0.9
287.03720	28.4
289.05289	36.2
303.08585	1.1
333.13278	0.7
337.22574	0.6
381.18796	3.2
425.10886	4.0
425.17764	30.6
425.24789	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23509	3.5
56.05035	3.9
57.03446	4.9
58.93572	3.3
61.05449	3.1
67.05489	7.7
69.03419	8.5
69.07039	5.3
70.06584	13.9
71.37378	6.7
72.08154	7.0
79.05486	4.7
81.07043	5.6
84.08139	4.2
85.02909	10.3
86.09698	7.5
91.05467	4.5
93.07031	5.8
95.04956	3.5
97.02924	5.2
97.35812	3.2
98.97592	6.9
99.04449	4.7
105.06994	3.9
109.02911	4.2
116.98595	5.8
119.08603	4.8
120.08080	5.1
121.02855	8.3
122.02389	8.8
130.06520	9.8
142.91306	3.7
143.04596	5.3
143.05644	77.3
145.02893	16.8
147.11702	4.5
157.07678	5.0
159.08141	4.8
161.05984	5.4
164.07037	3.7
177.05516	23.5
189.05444	5.2
222.30089	3.5
250.29509	3.8
263.09286	5.7
341.12213	3.9
425.15668	100.0
426.16901	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	425.178
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
56.05029	0.4
56.96536	0.5
67.50625	0.3
69.03420	0.8
70.06584	0.7
70.81152	0.4
71.04965	0.5
71.15424	0.9
81.03383	0.6
84.08137	0.7
85.02890	0.6
86.09680	0.6
91.05460	1.0
92.61920	0.3
93.07027	0.4
94.97311	0.3
97.02911	0.3
98.97588	0.7
103.05486	0.4
109.02841	0.6
116.13882	0.3
116.98605	0.5
119.08569	0.4
120.08115	0.5
121.06487	0.4
122.06004	0.4
127.03940	0.8
128.98593	0.4
134.99626	0.4
137.02357	0.6
137.05960	0.4
138.09071	0.4
143.05676	0.6
145.02849	0.9
147.04413	1.2
159.88817	0.4
163.03908	0.4
175.04070	0.4
177.05492	2.1
185.04301	0.4
185.06091	0.3
203.05263	0.8
221.98474	0.4
232.60583	0.3
257.04395	0.4
265.06131	0.4
271.06372	0.4
299.05203	0.7
311.05560	0.4
341.06500	1.3
357.06992	0.4
365.09940	0.7
379.08167	0.6
407.07568	1.2
425.08481	2.6
425.17816	100.0
426.18130	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	425.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
78.03860	1.1
79.93842	1.2
89.21743	1.3
91.65881	1.0
97.02905	1.2
98.97629	1.3
101.00894	6.6
106.35782	1.1
113.00875	1.7
119.01917	26.1
120.42731	0.9
130.64113	1.0
131.01913	8.1
137.02957	3.8
138.05486	2.5
143.01889	24.4
145.03479	9.4
155.01894	9.2
157.03496	4.6
159.02081	7.9
160.02380	6.4
161.02957	48.1
167.01834	6.1
169.03455	1.9
173.02977	18.3
174.13623	0.9
179.01884	1.6
179.03987	1.7
184.04678	1.2
185.02946	34.4
187.04521	2.4
190.87846	1.0
191.04025	5.2
197.02924	11.5
203.04013	19.8
209.02983	1.4
215.03937	9.0
218.09418	2.8
219.09830	2.3
221.05138	3.8
224.98445	1.2
227.04041	7.0
229.26767	1.5
245.05075	100.0
246.05292	3.5
257.05157	6.2
263.06116	25.7
264.06207	1.3
275.06180	12.5
293.07135	3.8
305.07227	9.3
335.08319	2.2
337.06815	19.1
338.07181	62.6
339.06564	1.9
346.09735	1.2
351.10388	3.4
365.09100	3.6
366.06821	2.6
425.06949	8.5
425.14603	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	425.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01874	0.4
55.05497	0.4
59.04991	0.9
61.02931	3.5
63.02383	0.6
67.05485	0.7
68.99791	4.8
69.03432	1.8
69.07077	0.5
70.49699	0.4
70.50065	0.5
71.05013	0.3
78.04691	0.3
79.05515	0.6
81.03419	1.0
81.07057	1.1
85.02904	0.5
85.04270	0.2
87.00820	1.7
89.03921	6.3
91.05466	1.4
93.07052	0.7
95.04990	0.7
95.08600	0.8
97.02900	0.5
97.06515	0.3
103.05469	0.4
105.07043	0.5
106.04179	0.3
107.08608	0.6
109.02898	1.4
109.06538	0.5
109.10139	0.7
111.04468	0.3
111.98724	0.2
117.03386	20.6
118.03743	0.3
119.08571	0.7
121.06509	0.2
121.10117	0.4
123.04465	0.5
123.08047	0.3
127.03918	1.7
127.32769	0.3
129.01849	4.3
131.04904	0.6
131.08585	0.5
133.10153	0.4
134.03613	1.4
135.04378	1.7
137.05986	0.8
145.02852	52.2
145.10135	0.5
146.03195	0.8
147.02930	1.6
147.04414	0.7
147.11688	0.3
149.05989	7.4
151.07550	0.8
157.10143	0.3
159.11646	0.3
161.09598	0.3
163.03876	0.7
165.06943	0.2
167.03429	0.3
173.06090	0.3
177.05479	100.0
178.05826	2.0
183.04454	0.3
184.05226	0.2
186.05492	1.9
187.07457	0.2
195.06606	0.4
199.07555	0.5
201.05544	0.3
215.07021	0.7
217.08511	0.4
219.06573	0.9
231.19003	0.2
233.08069	0.7
243.06566	0.6
245.08331	0.3
257.08069	0.5
261.07608	2.5
267.06409	0.3
281.04300	0.3
285.07532	1.0
289.05121	0.2
303.08679	0.9
381.18613	0.6
425.10727	3.9
425.17682	1.9
425.24863	1.2
425.30521	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
55.05515	0.3
56.96595	0.2
57.03428	0.3
61.02927	3.4
63.02111	0.2
63.02397	0.6
67.05492	0.3
68.99792	4.6
69.03427	1.9
69.07067	0.2
77.03940	0.2
78.04728	0.2
79.05491	0.5
81.03412	1.0
81.07040	0.6
84.08136	0.3
85.02905	0.6
87.00829	1.5
89.03915	6.8
91.05466	1.0
91.40650	0.2
93.07034	0.3
95.04979	0.5
95.08625	0.5
97.02899	0.4
98.20745	0.2
99.04450	0.3
103.05460	0.5
105.01849	0.2
105.07049	0.5
106.04185	0.3
107.04978	0.2
107.08574	0.3
109.02859	1.7
109.10171	0.4
115.05465	0.2
117.03378	22.0
118.03745	0.3
119.04941	0.4
119.08582	0.3
121.06477	0.3
121.10160	0.3
123.04421	0.4
124.05252	0.3
127.03922	1.5
129.01842	4.3
129.07002	0.3
131.04904	0.5
131.08577	0.2
133.10136	0.4
134.03612	1.5
135.04401	1.7
135.08046	0.2
137.05977	1.0
144.05653	0.3
145.02841	52.4
145.10124	0.4
146.03172	0.8
147.02887	1.3
147.04424	0.4
149.05972	7.1
151.03886	0.3
151.07521	0.3
157.06514	0.3
159.04436	0.3
161.09680	0.3
162.03096	0.3
163.03886	0.6
175.03905	0.2
175.07640	0.3
177.05464	100.0
178.05852	1.2
185.05901	0.3
186.05510	1.3
187.07516	0.5
189.05513	0.3
191.07005	0.3
195.06538	0.5
197.06070	0.2
199.07524	0.2
201.05449	0.4
207.06590	0.2
213.03970	0.2
215.07002	1.2
217.08571	0.5
219.06529	0.6
229.08658	0.3
231.06525	0.3
233.08104	0.8
241.08588	0.2
243.06477	0.7
257.08133	0.6
258.63089	0.2
261.07602	3.5
285.07605	1.2
303.08456	0.9
321.09613	0.2
373.02457	0.2
425.10760	4.1
425.25378	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01850	0.3
55.05509	0.4
57.03426	0.4
60.03546	0.2
61.02924	3.1
65.03948	0.2
67.05497	0.8
68.99432	0.4
68.99789	4.7
69.03432	2.3
69.07068	0.6
69.66353	1.7
78.04687	0.2
79.05488	0.8
81.03419	1.3
81.07047	0.8
83.04982	0.3
83.08566	0.3
84.08090	0.2
85.02914	0.8
85.06535	0.3
87.00816	1.5
89.03910	6.6
91.05465	1.5
93.07038	1.0
95.04964	0.7
95.08614	0.9
97.02908	0.6
97.06554	0.3
98.97594	0.3
99.04479	0.3
100.11227	0.3
103.05500	0.5
105.07024	0.9
106.04162	0.4
107.04960	0.3
107.08562	0.5
109.02921	1.4
109.06526	0.4
109.10185	0.5
111.04461	0.4
115.05437	0.3
117.03378	19.1
117.07046	0.4
118.03754	0.3
119.04967	0.2
119.08569	0.5
121.06510	0.5
121.10159	0.4
123.04445	0.4
123.08033	0.4
127.03900	2.2
129.01840	4.6
129.07016	0.3
131.04932	0.4
131.08566	0.7
133.06479	0.4
133.10121	0.4
134.03636	1.4
135.04405	1.7
135.08057	0.3
137.05981	1.0
138.26685	0.2
141.06961	0.3
143.05652	0.4
143.08565	0.3
145.02846	51.6
145.10071	0.6
146.03151	1.0
147.02890	1.6
147.04402	0.4
147.11627	0.5
149.05980	6.9
151.07558	0.5
151.10948	0.2
157.06474	0.3
157.10130	0.3
158.06104	0.2
159.11729	0.4
161.05890	0.3
161.09590	0.3
163.03874	0.8
163.11258	0.3
165.09160	0.3
167.07025	0.5
169.06464	0.3
175.07561	0.5
177.05469	100.0
178.04800	0.2
178.05840	1.9
186.05464	1.2
187.07483	0.5
189.09108	0.3
195.06531	0.4
199.07544	0.3
207.06516	0.3
215.06993	0.7
217.08574	0.3
217.64186	0.2
219.06461	1.0
233.08092	0.8
245.11813	0.3
257.08109	0.4
261.07565	1.9
261.99924	0.3
281.65131	0.3
285.07504	0.5
287.05478	0.7
300.06268	0.4
303.08633	0.7
327.04834	0.3
343.01233	0.3
361.02350	2.8
379.03204	0.8
421.96429	0.3
425.10880	4.1
425.16617	0.3
425.25955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90332	0.9
56.56622	1.0
69.94791	3.5
69.95204	1.5
119.01953	1.1
138.05508	3.3
143.05708	1.9
159.02098	17.2
161.02931	1.4
185.02881	1.3
185.31943	1.0
203.24188	1.0
218.09392	6.6
224.83102	1.0
245.05029	4.5
321.07004	1.0
337.06836	100.0
338.07166	3.2
350.10065	5.2
364.11517	2.0
365.06323	4.3
424.13705	52.4
425.14600	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93215	13.3
56.96564	19.4
70.06639	12.9
70.73518	36.8
86.79556	13.2
94.06204	16.3
98.97603	19.5
104.19205	13.4
113.21732	12.5
130.20375	12.3
141.96716	13.9
161.02942	38.5
173.02937	17.3
185.02922	26.6
203.03990	15.2
245.05063	100.0
269.47391	13.9
275.05637	16.7
291.52234	13.2
358.16623	15.0
408.06381	15.2
425.04852	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05509	0.9
56.96576	6.1
57.03432	0.9
61.02922	0.8
67.05514	1.4
69.03429	2.2
69.07066	1.1
70.06592	7.4
71.05001	1.1
71.59760	1.1
72.08159	2.2
81.03419	1.8
81.07050	1.2
84.04485	0.8
84.08135	2.9
84.96062	0.8
85.02903	2.5
86.09696	4.0
89.29934	0.9
91.05488	2.9
93.07056	1.7
95.04956	1.2
97.02913	2.2
98.97594	3.3
99.04428	1.3
103.03949	0.9
107.04986	1.7
109.02892	1.1
116.98640	3.6
117.03397	1.8
119.04988	1.6
119.08533	1.1
120.08142	1.2
121.02914	1.3
121.06527	1.4
127.03904	1.9
128.98602	1.2
133.06483	1.0
134.99692	2.5
135.04402	2.4
136.07591	1.7
137.02345	4.1
137.06023	1.0
137.07945	0.9
139.03963	0.9
143.05701	2.9
145.02882	3.3
146.99666	2.7
147.04419	3.4
147.09203	2.5
149.06018	1.1
163.03955	1.3
175.04051	1.4
177.00644	0.8
177.05434	6.7
194.02078	0.9
195.03091	0.9
203.97420	2.6
205.01721	1.4
207.02971	2.1
208.09732	1.1
217.04872	1.2
219.01715	1.9
219.06602	1.0
221.98370	7.6
223.02722	5.3
229.15498	1.4
237.02901	3.4
240.03125	1.2
241.03703	1.3
245.04472	1.4
255.05476	2.7
259.07980	1.1
265.09406	1.0
266.01016	1.0
269.03232	4.4
273.06671	1.7
281.03351	8.1
284.02097	1.4
295.06134	2.0
299.04373	20.8
310.04727	1.1
311.05585	3.4
312.06192	1.3
313.07294	1.3
317.05527	0.9
323.05496	3.3
336.06357	1.5
337.07248	2.0
341.06534	9.0
343.99741	1.3
351.08508	2.7
353.06622	1.7
361.07053	1.6
365.06537	1.7
367.07455	1.4
379.08249	3.8
395.07498	0.9
407.07480	8.9
425.08789	36.6
425.17963	100.0
426.08908	2.8
443.08685	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	423.3618
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.66085	4.9
50.73545	5.6
53.25231	5.5
55.05506	15.6
57.03411	7.2
57.07048	7.7
67.05501	17.7
69.07069	30.4
71.60170	9.2
79.05472	15.7
81.07055	53.3
83.08621	16.8
91.05452	13.9
93.07027	24.0
95.08606	71.0
97.10175	6.3
105.07040	32.9
107.08605	51.6
109.10145	47.4
119.08566	47.9
121.10140	41.2
121.64594	5.4
123.08084	5.8
123.11694	32.7
131.08563	17.1
133.10086	32.0
135.11710	27.7
137.13225	16.1
143.08539	12.2
145.10152	27.2
147.11688	16.4
149.13252	18.8
151.14870	7.1
157.10129	7.2
159.11694	21.7
161.13269	22.0
161.77940	5.5
163.14818	11.1
171.11684	13.2
172.26094	6.0
173.13278	11.9
175.14856	13.7
177.16328	9.3
185.13210	10.9
187.14838	15.4
189.16385	22.6
191.17915	18.4
197.13280	7.4
201.16396	11.5
203.17900	7.0
213.16344	14.5
217.19479	7.2
225.16396	7.4
227.17986	6.3
229.19534	8.9
231.17529	7.7
269.22736	7.1
321.25555	8.2
327.26672	6.1
335.27255	7.2
391.50409	6.1
405.35138	81.4
415.19702	5.8
423.30963	8.4
423.36252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.362
Annotation	Glochidone
Peak:m/z	Relative Intensity
53.03917	2.9
55.05511	13.2
57.07064	6.8
59.31586	2.5
67.05505	30.9
69.07070	30.0
69.86211	2.5
71.60696	4.1
79.05498	17.7
81.07056	59.6
83.08619	11.0
91.05454	18.5
93.07040	41.0
95.08605	73.3
97.10168	3.4
105.07032	40.5
107.08594	52.4
109.10148	51.9
111.11710	6.6
117.07030	9.2
117.88292	2.3
119.08585	51.0
121.09309	4.7
121.10150	48.9
123.11703	21.6
131.08562	13.8
133.10124	34.3
135.11691	27.8
137.13248	12.0
143.08537	3.8
145.10123	18.2
146.01558	2.5
147.11705	24.3
149.13258	17.5
157.10136	11.7
159.11703	22.2
161.13222	21.6
163.14809	10.3
165.12807	3.9
171.11716	6.8
173.13281	17.5
175.14822	75.1
177.12741	3.1
177.16341	20.9
179.14250	6.0
185.13284	6.7
187.14818	12.1
189.16365	17.7
191.17944	11.4
193.15854	11.9
199.14709	5.8
201.16354	8.4
203.17952	10.1
205.19493	3.6
213.16319	5.5
215.17975	10.2
217.19516	11.5
227.17921	5.8
229.19502	14.5
231.17436	4.5
231.21060	19.0
239.04736	2.7
241.19495	3.8
243.21130	5.6
245.22649	13.9
255.20932	4.5
257.22742	4.4
267.21072	7.3
269.22623	3.6
281.22559	3.2
283.24255	7.1
312.00269	3.2
335.27243	4.4
405.35159	50.8
423.27249	5.6
423.36148	100.0
424.36642	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68565	0.7
53.03940	1.0
55.01878	1.2
55.05509	6.5
57.03432	2.1
57.07076	5.4
57.68468	0.7
58.60326	0.6
61.31129	0.8
67.05508	10.7
69.07066	9.3
70.41462	0.8
71.05033	1.0
71.08626	4.8
71.34244	1.2
73.96766	0.7
79.05499	6.2
81.07052	16.4
83.04995	1.7
83.08619	2.4
85.06552	3.0
91.05495	5.7
93.07044	10.9
95.04959	1.2
95.08607	19.5
97.06528	1.2
99.08081	2.3
105.07018	7.1
107.08597	11.6
109.06519	18.5
109.10162	9.5
113.00029	2.7
116.24718	0.8
117.07005	1.5
119.08579	8.4
121.10160	8.6
122.07320	1.1
123.08069	34.8
123.08952	1.9
123.11696	4.2
125.09615	1.7
131.08574	3.3
133.10127	5.1
135.08047	6.7
135.11687	3.6
137.09642	1.9
137.13258	1.9
143.08527	1.5
145.10107	4.8
147.11690	4.3
149.09645	1.8
149.13228	4.1
150.61919	0.8
157.10097	1.3
159.11653	4.3
161.13263	3.2
163.11298	1.1
163.14847	1.7
165.12787	1.9
167.14325	1.5
173.11887	1.1
173.13358	2.8
175.14812	2.5
177.12820	1.4
177.16377	2.3
179.14314	84.7
187.14830	1.5
189.16479	1.5
191.14351	0.8
191.18011	1.5
193.15891	3.7
199.14903	1.0
201.16487	1.3
205.15918	2.4
215.17863	1.1
217.19632	1.2
227.17960	0.9
229.19592	1.8
233.19061	1.9
273.96625	0.9
275.20190	1.9
303.26797	2.0
331.26303	32.0
332.26556	1.4
349.27460	8.5
353.28723	1.0
405.30133	1.5
405.35092	3.2
423.31116	100.0
423.36139	7.5
424.31653	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
50.40626	1.6
55.05513	11.7
56.76315	1.5
57.07071	4.3
60.31460	1.8
63.43627	1.5
67.05500	22.9
69.07069	24.3
71.08593	2.5
79.05482	14.3
81.07056	52.9
83.08612	8.4
84.53651	1.7
85.06561	1.8
88.07764	1.7
91.05470	15.2
93.07037	31.0
95.04955	4.3
95.08602	66.3
97.06513	1.7
97.10156	7.3
101.28249	1.9
102.46397	1.6
105.07021	33.2
107.08588	43.9
109.06511	2.2
109.10148	42.1
111.11711	5.5
117.07018	5.1
119.08575	41.5
121.10143	43.2
123.08046	2.0
123.11713	17.9
128.06352	1.7
129.07115	2.6
131.08585	11.5
133.10117	31.5
135.08153	1.9
135.11690	23.3
137.09587	2.0
137.13243	13.7
143.08559	6.0
145.10106	17.5
147.11684	25.5
149.13234	15.1
151.14804	1.9
157.10147	6.8
159.11678	19.8
161.13243	21.3
163.14792	12.4
163.17531	1.7
165.12781	5.3
171.11678	6.9
173.13261	19.2
175.14818	46.3
176.15167	2.2
177.16356	15.1
179.14339	2.1
183.11705	3.3
185.13318	6.1
187.14822	9.7
189.16370	13.4
191.14459	2.4
191.17918	10.0
193.15860	5.3
197.13286	3.3
199.14845	5.2
201.16374	7.1
203.17892	13.0
205.15819	3.0
205.19536	5.8
211.14845	2.6
213.16420	5.9
215.18050	9.3
217.15941	4.4
217.19519	11.3
219.17511	3.9
225.16246	2.3
227.17989	5.8
229.19464	20.0
231.17502	2.7
231.21054	10.8
233.19044	3.1
241.19551	6.1
243.21098	6.6
245.19066	2.6
245.22623	5.1
253.19579	3.4
255.20912	1.9
267.21036	3.9
269.22644	4.0
281.22571	4.4
283.24176	4.9
285.22189	3.0
295.24405	2.3
309.25784	3.3
335.27325	2.4
371.70776	1.7
405.35175	42.9
423.36224	100.0
424.36578	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	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18074	1.4
52.32350	1.5
53.03947	1.8
55.01864	3.2
55.05510	18.9
56.96556	2.3
57.03435	5.2
57.07073	10.0
59.04993	6.6
65.03920	3.5
67.05502	92.5
69.03410	3.9
69.07066	19.4
69.50056	11.9
71.04983	5.4
71.08620	5.7
79.05492	24.6
81.03408	2.1
81.07058	59.0
83.04971	5.2
83.08627	10.5
85.06529	6.8
91.05473	17.5
93.06477	2.1
93.07046	34.3
95.04965	4.8
95.08604	26.6
97.02879	2.3
97.06532	6.5
97.10145	1.8
98.20760	2.4
99.04426	3.0
99.08068	5.1
105.07023	11.8
107.08593	22.4
109.02877	1.7
109.06522	22.2
109.10153	48.6
110.10468	1.9
111.08072	6.2
117.07013	4.6
119.08570	11.7
121.06519	1.3
121.10130	14.1
122.07238	2.5
123.08072	41.4
123.11695	4.7
125.09579	1.7
127.03896	1.6
131.08543	7.2
133.10156	10.2
135.08032	10.6
135.11659	7.1
137.09593	5.6
137.13211	1.7
143.08505	1.7
145.10153	4.5
147.11670	5.5
149.09668	3.6
149.13263	13.3
155.10672	2.0
157.10101	2.0
159.11684	7.8
161.13312	1.9
165.12787	1.4
167.14400	1.5
173.11771	13.6
173.13158	3.3
177.12723	5.5
179.14308	85.5
180.14635	3.5
193.15854	2.9
195.13774	6.1
199.15022	1.5
205.15953	3.5
207.17413	1.7
275.20001	3.1
303.26776	4.2
331.22437	2.5
331.26309	44.9
332.26724	2.2
349.27322	11.0
363.18930	2.0
405.30151	2.9
423.31604	100.0
424.31387	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81672	0.4
53.03926	0.8
55.01846	0.8
55.05508	5.8
57.03440	2.6
57.03648	0.6
57.07078	4.1
59.04987	0.8
60.03842	0.4
65.03918	0.9
67.05503	22.8
69.03415	0.8
69.06727	0.5
69.07066	8.1
71.04960	1.9
71.08623	4.5
71.31006	0.8
79.05074	0.6
79.05487	9.1
81.03360	0.5
81.07056	19.9
83.04941	1.8
83.08617	3.8
85.06538	3.6
86.83465	0.5
91.05466	6.0
93.06494	0.5
93.07043	10.5
95.04948	1.8
95.08602	14.6
97.06499	1.9
97.10159	1.1
99.08075	2.7
103.39993	0.4
105.07034	4.9
107.08590	9.8
109.06513	20.1
109.09467	0.8
109.10157	12.9
111.08071	2.3
117.06995	1.5
119.08574	6.4
121.06492	1.4
121.10134	5.6
122.07269	2.8
123.08066	32.8
123.11709	2.1
125.09644	0.4
131.08580	2.8
133.10133	4.9
135.08051	7.8
135.11676	2.6
137.09608	2.4
137.13261	1.2
138.02824	0.5
139.11191	0.5
145.10127	2.9
147.11679	3.3
149.09671	2.1
149.13277	4.4
151.11201	0.8
151.14786	0.8
157.10121	1.0
159.11670	1.9
161.13263	1.4
162.04662	0.5
163.11076	0.7
163.14838	0.8
165.12721	2.0
167.14293	1.3
169.10042	0.6
171.11749	0.6
173.11716	2.7
173.13231	0.9
175.14842	0.9
177.12801	2.2
179.14310	83.6
180.14667	1.7
189.16286	0.7
191.14313	1.6
193.15941	2.6
194.51491	0.5
195.13823	1.5
201.66507	0.5
203.14427	0.6
205.15868	3.1
233.18962	0.9
246.63295	0.5
263.20056	0.9
275.20099	2.1
289.25366	1.0
293.21140	1.1
303.26822	2.1
313.25253	1.0
330.13409	0.5
331.26306	34.8
332.26816	0.8
348.26410	0.5
349.27396	9.3
354.43301	0.6
357.23923	0.5
363.18301	0.7
367.24701	1.0
405.30112	2.4
423.31186	100.0
424.31674	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	423.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.3
55.01876	2.0
55.05510	12.8
55.35483	0.9
57.03438	3.7
57.07073	5.0
59.05001	1.2
61.02913	0.8
65.03948	2.8
67.05501	44.2
69.03442	1.6
69.07065	11.9
70.06956	4.2
71.05008	3.2
71.08631	3.8
75.04476	1.3
79.05493	14.9
79.17669	0.9
81.03445	1.3
81.07056	30.3
83.04984	2.6
83.08613	8.7
85.06570	3.1
91.05486	12.1
93.07041	18.9
95.01332	1.8
95.04990	3.5
95.08034	0.6
95.08604	18.9
97.06551	3.6
97.10178	2.8
99.08101	2.4
105.07031	7.5
107.08588	15.3
107.09275	1.1
109.06514	17.3
109.07245	1.1
109.10148	27.4
111.08125	3.6
117.07049	2.8
119.08575	10.3
121.06552	1.7
121.10141	11.1
122.07356	1.4
123.08064	40.2
123.11737	3.8
124.08404	1.2
125.09678	1.5
131.08549	4.3
133.10104	6.6
135.08046	8.9
135.08984	0.9
135.11737	4.0
137.09660	3.0
143.08623	1.3
145.10153	5.3
147.11713	4.7
149.09680	2.9
149.13210	6.6
155.10637	1.2
157.10152	1.7
159.11708	6.3
161.13326	1.6
163.11249	1.7
163.14854	1.5
165.12715	1.1
167.14386	1.3
171.11763	2.0
173.11807	7.5
173.13304	2.1
175.14926	1.5
177.12721	4.4
177.16408	1.0
179.14307	61.3
180.14647	1.0
185.13333	1.0
185.56319	0.8
187.14847	1.3
189.16383	1.2
191.14397	1.2
191.18332	1.0
193.15945	1.6
195.13930	2.5
197.13457	1.4
201.16505	1.2
205.16039	3.2
217.19733	1.1
219.17491	1.0
233.18976	1.0
247.20552	1.2
251.05692	1.0
261.22177	1.0
275.20178	3.4
295.71970	0.9
303.26984	3.1
331.26312	36.8
332.26804	1.8
349.12912	2.1
349.27362	1.6
367.25037	1.0
405.35187	1.9
423.16769	3.8
423.31329	100.0
424.31448	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28230	0.6
53.03948	1.7
55.01889	1.2
55.05515	10.7
57.03449	3.4
57.07076	1.9
57.14393	0.5
59.05004	2.6
65.03933	1.8
65.68758	0.7
67.05505	100.0
69.03425	0.8
69.07065	10.6
70.21628	2.9
71.05000	4.0
79.05490	17.0
81.03440	1.1
81.07056	42.7
83.04980	2.5
83.08618	10.0
85.06538	3.1
91.05485	15.4
93.07043	24.8
95.04977	3.2
95.08606	12.2
97.06522	3.7
99.08081	1.2
105.04532	0.7
105.07022	3.9
107.08592	13.1
108.14304	0.7
109.06540	2.0
109.10155	57.5
111.08077	5.2
117.07036	3.8
119.08580	5.2
121.06519	0.9
121.10145	6.6
123.11716	1.6
127.11221	0.6
131.08543	4.0
133.10132	6.2
135.08047	0.8
135.11679	4.8
137.09654	2.8
148.12157	0.6
149.09692	0.7
149.13258	13.4
153.09004	0.7
155.10706	3.5
159.11693	4.8
173.11740	20.5
173.13187	1.1
177.12737	3.2
179.14316	0.8
184.77266	0.6
195.13806	8.3
208.04865	0.6
213.14838	1.1
272.04678	0.6
423.27359	51.8
424.27997	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74187	0.7
53.03944	2.2
55.05512	13.7
57.03429	4.0
57.07076	1.5
58.37516	0.7
59.05000	3.4
62.27992	0.7
63.03964	0.6
65.03944	1.8
65.28680	0.9
67.05506	100.0
68.05858	0.8
69.03427	0.8
69.07062	9.9
69.34598	6.9
71.04999	4.5
79.05493	20.9
81.03413	1.7
81.07058	42.3
83.04998	2.4
83.08617	11.7
83.09056	1.0
85.06547	3.4
91.05482	16.2
93.07043	27.7
95.04976	3.6
95.08607	11.7
97.06538	4.4
99.08109	1.2
105.07025	5.0
107.08591	13.8
109.06525	1.6
109.10158	56.5
109.50860	0.7
111.08082	5.3
117.07044	4.1
117.07742	0.7
119.08577	6.1
121.10142	6.0
123.11717	1.6
125.60015	0.7
131.08582	4.6
133.10110	5.9
135.08023	0.9
135.11708	4.6
137.09645	2.7
143.91071	0.7
149.13251	14.9
151.11168	0.9
155.10693	1.8
159.11697	6.7
167.14369	0.9
173.11743	19.1
173.13176	1.5
177.12799	2.7
195.13780	8.5
213.14833	1.3
221.07506	0.8
303.62222	0.8
305.20303	0.7
423.27423	41.9
424.27832	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71436	0.8
53.03946	1.8
54.64867	0.8
55.01857	1.8
55.05510	12.8
57.03430	3.8
57.07058	1.5
59.04999	3.8
65.03941	2.7
67.05507	100.0
69.03426	1.9
69.07072	9.7
71.04974	3.5
79.05497	20.6
81.03400	2.1
81.07059	44.4
83.04961	2.6
83.08619	9.9
85.02899	1.4
85.06547	4.5
91.05480	15.4
93.06483	1.5
93.07047	26.0
95.04960	4.2
95.08614	14.1
97.06530	4.0
98.20745	2.4
99.04430	1.0
99.08051	1.6
105.07036	5.5
107.08594	14.8
109.06490	1.8
109.10161	58.3
111.08077	5.0
115.21649	0.8
117.07019	5.1
119.08585	6.7
121.06546	0.8
121.10143	7.3
123.08052	1.0
123.11667	1.9
125.09696	0.8
131.08548	4.7
133.10124	6.7
135.08044	1.3
135.11732	4.5
137.09605	2.4
139.11214	0.9
143.08493	1.1
145.10130	1.1
147.11707	2.1
149.09564	1.0
149.13248	13.6
155.10693	2.9
159.11725	6.6
173.11737	17.2
177.12729	3.0
195.13814	8.0
256.27576	0.8
270.70438	0.7
423.27341	38.2
425.15332	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.01863	3.5
55.05513	10.4
57.03434	4.3
57.07051	3.1
59.05002	2.9
60.04514	2.3
61.02902	3.3
65.03944	2.4
67.05177	2.5
67.05505	28.4
68.99783	2.4
69.03428	21.0
69.07072	15.9
69.47185	6.3
69.47609	12.1
70.06586	3.6
71.04987	6.3
72.08150	3.8
72.37373	2.3
73.02888	2.2
79.05488	8.4
81.03410	37.2
81.07058	30.7
83.04981	14.0
83.07644	2.0
83.08617	7.0
84.04494	10.1
84.08139	4.1
85.02898	24.8
85.04824	2.7
85.06528	7.5
87.00837	3.1
91.05477	16.8
93.03441	2.6
93.07034	23.1
95.04971	10.4
95.08614	36.8
97.02886	100.0
97.06510	3.7
97.10163	4.3
99.04449	8.0
99.08105	4.5
105.07033	18.5
107.04968	5.2
107.08584	25.8
109.02880	48.8
109.06512	9.5
109.10153	99.7
109.47079	2.3
111.08063	5.7
111.14909	2.0
117.07011	5.9
119.04990	3.8
119.08574	45.0
120.01456	2.2
121.06508	2.9
121.10135	22.0
123.04415	5.8
123.08042	18.2
123.11684	8.1
125.09674	2.5
127.03914	74.3
128.04211	2.5
129.06998	2.8
131.08540	5.1
133.06458	2.2
133.10129	25.3
135.04408	3.2
135.08070	3.7
135.11691	84.6
137.05966	6.1
137.09610	19.0
138.10402	2.4
139.11186	3.3
141.25948	2.4
143.05663	4.2
145.04948	3.0
145.10062	4.9
147.11662	3.6
149.13260	8.7
151.03865	3.6
151.07521	3.9
151.11172	11.0
151.14818	8.1
161.05937	5.7
163.03979	3.6
167.07066	12.3
173.13222	3.7
174.07611	9.8
175.07892	6.8
175.11195	2.7
175.14810	33.4
177.05493	4.5
187.14786	2.2
189.09152	3.7
193.15875	66.7
193.17654	3.4
211.16927	40.4
213.03906	22.3
215.06923	3.3
217.12245	2.3
230.07597	2.3
237.03058	2.4
243.10220	2.5
246.96413	2.3
266.10461	2.3
379.20828	2.5
384.41611	2.7
423.14188	2.9
423.19785	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	423.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80890	0.4
53.00299	0.5
53.03928	1.0
53.25007	0.4
55.01866	1.2
55.05505	3.3
56.96554	0.8
57.03430	1.0
57.07072	0.7
59.05000	1.1
61.02924	0.8
65.03937	4.2
66.95156	0.4
67.05505	22.7
68.05811	0.4
69.03410	1.0
69.07072	3.6
70.74936	0.9
71.04986	1.5
73.02893	0.5
79.05495	6.1
81.03418	1.3
81.07057	13.4
83.04968	1.5
83.08615	3.1
85.02908	1.2
85.06536	1.0
85.45628	0.3
89.03951	0.5
91.03959	0.9
91.05480	8.0
92.63271	0.4
93.03391	2.5
93.07046	8.4
95.01313	0.7
95.04974	2.1
95.08613	4.8
97.02888	1.0
97.06537	1.0
97.10156	0.4
99.04513	0.4
99.08089	0.4
103.05441	0.5
105.07034	4.8
107.04956	1.1
107.08594	6.1
108.70775	0.4
109.06499	1.6
109.10155	15.6
111.04424	0.6
111.08084	1.7
115.05431	0.8
117.03366	0.7
117.07068	2.1
119.04958	1.0
119.08579	2.6
121.02859	2.6
121.06506	0.4
121.10149	4.1
123.08098	0.4
123.11694	0.8
125.09666	0.6
127.03870	0.4
128.06203	1.6
129.07019	1.4
131.01302	4.1
131.04935	0.6
131.08565	1.7
133.06453	0.5
133.10123	4.7
135.04433	2.8
135.08008	0.7
135.11681	1.8
137.02299	1.1
137.05940	0.7
137.09598	0.9
141.06999	0.5
143.05655	0.6
143.08563	1.4
145.02846	1.9
145.06422	0.5
145.10158	0.6
147.04372	1.0
147.08015	0.8
149.02336	18.8
149.13235	3.8
151.07532	0.6
151.11082	0.6
153.06966	0.5
157.10178	0.6
159.11658	1.9
161.05980	0.5
163.03906	9.9
165.01831	0.5
165.09108	0.5
167.03403	100.0
168.03746	1.1
173.11740	4.8
175.03929	3.4
175.07637	0.7
177.01868	0.9
177.05450	2.3
177.12752	0.5
179.03394	0.5
181.01266	1.2
185.06015	0.8
187.03915	2.6
189.05565	0.9
195.13823	1.5
201.05397	0.9
203.07092	2.7
205.04976	6.9
205.08691	0.4
213.05478	4.4
227.07025	8.1
229.08606	1.0
231.06529	34.2
232.06960	0.8
241.08626	1.3
267.06546	1.5
269.11807	7.3
269.17667	0.4
285.07562	27.7
285.10065	1.0
286.07806	0.5
287.12790	8.5
313.06958	2.5
316.11710	0.8
316.62027	1.7
317.11890	0.6
323.09094	4.1
331.22147	0.5
341.10272	1.5
341.66534	0.5
349.10654	1.2
363.12292	2.1
367.11688	4.6
405.16919	6.0
422.69077	0.6
423.17969	2.3
423.27924	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	423.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
68.09120	0.5
69.03425	0.6
70.06590	0.9
71.60822	0.9
79.05492	0.7
81.07033	1.3
84.08138	1.0
85.02888	0.8
86.09697	1.0
91.05474	1.3
95.04955	0.6
97.02885	0.7
105.07003	1.3
107.04953	0.8
107.08615	0.6
109.02821	0.6
113.05771	8.4
115.65870	0.5
121.10120	0.7
122.02406	0.6
122.05988	0.6
123.04383	0.7
125.05991	0.8
126.99976	0.6
127.03956	0.8
131.04871	0.5
136.06190	0.5
136.07545	0.5
136.70308	0.5
137.05963	0.9
140.03435	0.7
143.04576	1.0
143.05649	14.1
147.04408	0.5
149.05948	0.7
151.03908	1.1
167.03102	0.6
167.07033	5.3
171.00548	1.6
175.03697	0.7
175.07881	0.8
181.04930	0.8
185.04240	1.1
211.17094	0.6
226.15089	0.6
227.05235	0.9
237.11240	0.5
257.08038	0.5
261.07346	100.0
262.07675	2.0
271.04181	3.2
362.33154	0.5
379.09894	2.5
385.83786	0.5
391.11243	0.9
423.08395	10.4
423.12637	27.1
423.19467	0.9
424.08618	0.8
424.13770	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.143
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
50.86897	1.0
53.03948	1.1
56.96558	1.7
58.99593	7.1
60.04528	2.0
67.05498	7.9
68.36343	0.9
69.03413	6.3
69.06718	1.6
69.07069	18.8
70.06590	1.5
71.04984	1.5
71.59486	1.2
73.02908	1.2
76.02219	3.7
76.04056	1.1
81.03414	3.0
84.04497	1.5
84.08141	2.3
85.01105	1.2
85.02909	9.5
85.22732	1.0
87.04462	1.2
88.03995	1.5
95.04984	2.3
97.02872	5.2
98.97564	2.1
99.02690	2.6
99.04484	1.2
101.04243	47.6
109.02882	2.1
110.07130	1.4
112.07601	2.6
121.02913	1.2
127.02150	5.2
127.03922	4.0
127.05743	2.8
129.03729	1.6
130.05003	1.2
130.06535	3.2
135.04433	1.6
138.05467	7.3
139.05853	3.8
140.07056	8.3
143.05646	9.8
144.05981	2.2
145.02850	1.9
145.06075	1.2
147.04353	1.2
155.01657	1.6
163.03929	3.8
170.06355	2.8
172.04271	100.0
180.04840	1.9
182.08133	3.5
197.07457	3.1
198.05806	6.0
214.05330	11.5
215.08464	5.7
244.06436	9.7
247.04175	1.1
261.09055	16.6
284.11203	1.5
302.12314	1.5
334.09448	1.9
342.10434	2.1
360.11328	1.5
377.13742	7.9
423.14343	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	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86035	2.2
53.03930	3.8
55.05494	3.1
56.43420	2.3
57.03442	15.2
57.07056	2.4
67.05485	6.3
69.03428	11.6
69.07066	6.4
69.33436	22.6
70.06580	15.3
71.04993	4.2
72.08133	2.4
79.05482	5.5
81.03413	6.9
81.07043	5.5
82.96507	2.6
83.04986	7.5
83.08617	2.5
83.39026	2.1
84.08142	4.0
85.02898	19.4
85.06564	2.7
86.09705	5.2
91.05499	9.3
93.07035	9.3
95.08591	12.3
97.02877	5.9
97.06498	4.0
98.97507	3.3
105.07011	13.0
106.02908	10.8
107.04919	3.2
107.08577	18.2
108.43305	2.3
109.02881	3.7
109.06509	9.7
109.10166	8.1
113.05995	2.9
115.99554	2.4
119.08587	16.5
121.06541	3.6
121.10160	15.2
123.04370	3.1
123.08070	20.7
123.11712	6.7
124.03954	12.0
127.03932	5.9
127.07570	2.4
127.08623	2.4
131.08620	6.8
133.10123	18.0
135.08018	17.0
135.11671	7.9
137.02344	7.6
137.05869	2.7
137.09590	8.2
144.08075	6.5
145.04977	3.6
145.10120	3.1
147.07990	4.3
147.11700	13.3
149.09602	46.2
151.07562	5.8
151.11192	21.8
156.09390	3.5
161.09567	4.6
161.13274	24.0
161.57565	2.9
165.12755	6.9
167.07027	6.8
171.11673	5.3
177.05466	5.0
177.12695	3.4
179.14258	5.3
189.12730	41.9
199.08629	2.4
207.13792	100.0
223.88034	2.2
225.14854	90.2
226.15331	4.4
243.15912	62.6
259.56097	2.5
264.10040	2.8
265.51907	2.7
268.08029	3.0
308.35495	2.4
405.13260	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09957	3.6
69.07054	4.6
71.24438	8.5
89.79488	3.7
94.56931	4.0
101.04243	9.5
107.04906	3.9
114.02413	3.8
114.87234	3.7
138.05482	4.5
143.05672	17.2
159.02127	7.0
172.04263	28.1
192.67343	4.0
261.08878	5.0
337.06848	52.7
423.08804	100.0
423.14102	19.1
424.13959	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	422.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01865	0.7
57.03431	0.8
61.02917	0.5
69.03430	5.3
70.19092	0.4
70.89463	1.0
71.02476	0.5
71.05003	4.7
73.04039	0.9
76.19889	0.4
81.03416	3.1
83.04991	1.1
83.43339	0.4
85.02911	8.0
87.06720	0.7
87.67392	0.3
88.05128	2.2
89.06036	19.0
90.06335	0.5
97.02885	7.9
99.04443	2.0
101.03535	0.6
101.04278	0.4
109.02888	2.5
111.04405	0.9
127.01391	1.1
127.03925	4.3
135.06552	0.5
142.02502	0.6
143.01624	1.3
143.05649	19.2
144.04051	100.0
144.05960	6.2
145.05008	3.6
146.65385	0.4
163.03891	0.7
171.01118	5.7
243.08690	0.4
252.96616	0.4
260.05853	0.5
261.09698	1.2
306.09390	1.3
422.14197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18775	1.5
53.03944	1.7
53.30859	1.5
55.01865	5.1
55.05518	15.1
55.34038	1.4
57.03436	10.8
57.07078	10.6
57.33638	1.4
59.04988	1.6
59.65751	1.3
64.26908	1.5
67.05178	2.7
67.05508	33.3
68.55261	1.4
69.03453	2.3
69.07072	29.3
70.06590	1.5
71.04987	4.0
71.08624	3.3
74.53066	1.3
79.05492	20.6
80.46362	1.5
81.03418	2.0
81.07056	36.4
83.04975	5.4
83.08619	8.1
85.02877	1.5
85.06532	9.6
88.07626	1.5
91.05492	14.9
93.07044	31.7
95.04955	9.4
95.08607	31.8
97.06525	11.8
97.10192	3.2
98.21487	5.1
104.99284	1.8
105.07033	12.4
107.04942	2.0
107.08602	30.6
109.06513	17.6
109.10166	11.3
111.04459	6.9
111.08064	5.1
117.07023	4.0
119.08585	15.9
121.06482	2.6
121.10138	14.8
123.04482	2.1
123.08054	12.2
123.11704	5.7
125.05988	7.1
125.09595	3.2
129.07051	2.0
131.08542	6.2
133.06448	1.5
133.10124	8.6
135.08057	22.7
135.11679	15.4
137.05989	18.3
137.09618	2.7
137.13249	3.6
138.48872	1.6
139.07588	1.8
145.10106	7.7
147.11671	4.4
149.02345	4.6
149.09633	4.1
149.13260	4.0
151.07526	8.8
151.11159	3.2
153.12747	4.7
157.10112	4.1
159.11697	5.7
161.09619	3.8
161.13249	2.8
162.03148	5.0
163.11177	2.8
165.09183	1.5
165.12756	5.9
167.14275	2.3
171.11699	2.8
173.13275	2.5
177.09215	1.5
177.12775	7.2
179.14299	5.0
181.12163	7.1
184.04405	8.3
185.13319	2.4
191.14229	2.1
193.04956	3.5
193.12292	2.7
205.15845	1.7
206.05856	3.6
207.13770	1.9
210.37328	1.4
217.14322	2.0
217.21709	1.5
219.17520	2.1
221.19066	4.2
224.89801	1.4
228.23454	1.9
229.43234	1.7
231.09006	1.6
235.20531	3.0
249.18388	1.8
256.26270	2.1
263.20056	5.7
263.41245	1.5
287.23737	3.0
301.25275	2.7
305.24747	85.1
306.66299	2.5
311.19934	2.2
319.22818	2.8
319.26294	23.1
320.67957	2.0
321.18073	1.7
329.21051	5.3
329.24820	5.2
337.27310	2.2
338.96548	2.3
347.25821	100.0
348.25964	1.9
356.98062	1.6
363.19092	1.6
365.26910	9.7
367.70908	1.6
385.08911	2.3
393.29916	8.2
403.24454	3.8
403.28937	3.4
421.29654	45.0
421.78394	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	421.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01876	2.8
55.05507	12.5
57.03432	9.6
57.07075	35.7
59.04983	1.1
65.03940	1.3
67.05499	20.1
69.03432	2.1
69.07073	15.1
69.85390	2.4
69.85818	4.8
71.04987	2.1
71.08630	1.8
79.05491	13.5
81.03425	1.6
81.07053	28.8
81.07520	1.7
83.04982	3.1
83.08621	6.2
85.06542	17.4
91.05486	10.2
93.07036	19.7
93.07545	1.5
95.04972	7.5
95.08598	18.1
97.06536	4.4
97.10188	3.5
98.20779	1.2
105.07038	11.6
107.04983	2.1
107.08590	18.0
109.06522	16.0
109.10150	9.9
111.04461	3.7
111.08109	4.4
117.07057	3.3
119.08588	9.9
121.06500	2.9
121.10153	8.5
123.08072	12.9
123.11749	2.5
124.31239	0.9
125.06014	2.8
125.09662	1.6
129.07040	3.0
131.08554	6.3
133.06540	2.3
133.10135	6.2
135.08057	15.4
135.08983	1.2
135.11711	5.3
137.05971	24.4
137.06918	1.5
137.09662	2.5
139.07556	3.0
143.08589	2.7
145.10168	4.0
147.08063	2.4
147.11726	3.8
149.09650	4.2
149.13271	2.8
151.07523	7.0
151.11235	3.9
153.12782	2.2
155.36511	1.0
157.10172	3.4
159.11728	3.1
161.09702	4.0
161.13301	2.3
163.11234	3.2
163.14760	1.2
165.09183	2.0
165.11589	1.3
165.12729	6.6
171.11790	3.0
175.11234	3.0
175.14841	1.2
177.12762	7.5
179.14340	3.9
181.12268	1.4
185.13326	1.3
189.12805	1.8
191.14342	1.8
193.12337	2.9
195.11977	1.3
195.13789	2.1
199.11343	1.2
199.14970	1.3
207.13788	10.3
231.17499	1.6
233.18929	1.2
235.20697	1.2
262.98270	1.1
263.20129	5.7
270.99106	1.1
274.30533	1.1
277.18298	1.2
277.21747	1.4
291.19531	1.7
291.26852	1.1
301.25360	1.3
305.24789	1.4
319.26297	9.8
329.21259	6.6
329.24954	4.2
337.27490	3.8
342.71927	1.4
347.25797	100.0
348.26385	3.0
365.22440	2.0
365.26868	23.0
393.30103	12.6
403.24655	3.2
403.28961	2.2
421.29709	54.4
422.30014	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58567	0.1
66.46828	0.1
69.03429	0.6
69.83854	0.9
71.04982	0.4
74.53020	0.1
78.26393	0.2
81.03439	0.3
82.78053	0.1
83.04931	0.2
85.02910	0.9
87.06714	3.3
89.06033	1.2
92.57364	0.2
97.02919	0.7
98.20762	0.3
99.04431	0.2
101.03545	0.2
109.02857	0.2
113.04579	0.3
126.02917	0.1
127.03908	0.4
138.05516	0.3
141.04063	0.8
142.04875	0.3
143.05638	100.0
144.06017	0.2
145.04924	0.3
185.06665	0.3
207.62779	0.1
213.70824	0.1
285.35440	0.2
388.50308	0.2
421.15875	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05628	2.1
53.03934	4.0
55.01873	10.6
55.05266	2.0
55.05514	29.7
56.96565	11.2
57.03436	12.9
59.05001	2.5
61.02930	15.1
65.03934	2.8
67.05505	84.0
69.03422	14.7
69.07062	20.1
71.04982	7.8
71.12949	3.3
71.13298	3.4
73.02922	10.4
77.22766	1.7
79.05058	3.6
79.05492	52.8
81.03416	33.2
81.07056	49.4
83.04973	8.5
83.08616	17.6
85.02901	17.1
85.06528	5.8
87.04501	2.1
91.03960	10.7
91.05482	52.4
93.07040	47.6
95.04969	72.0
95.08607	36.1
97.02892	12.4
97.06535	7.0
97.10186	14.7
98.97605	5.1
101.02380	4.4
105.03381	2.3
105.07024	33.8
107.04947	31.5
107.08592	21.4
109.02901	4.5
109.06490	10.1
109.10154	40.7
109.10828	3.6
111.04471	2.6
111.08089	6.6
115.03936	1.8
115.05457	5.3
116.98596	3.8
117.07009	18.0
119.04919	4.2
119.08572	29.0
121.06515	28.3
121.10127	14.0
123.04427	3.6
123.08075	7.9
125.06016	2.2
125.09627	12.7
127.03933	3.8
128.06238	4.3
128.98604	2.0
129.06990	17.6
131.00311	1.7
131.04924	6.0
131.08580	24.1
133.06535	8.7
133.10130	16.4
133.68985	2.0
135.08017	10.1
135.11682	6.8
137.06032	6.1
137.09628	10.9
139.07552	2.7
139.11212	2.8
141.07013	5.1
142.07866	2.7
143.08568	14.2
145.06497	7.2
145.10136	15.3
146.99652	2.1
147.08084	9.6
147.11719	8.8
149.01218	2.5
149.09564	8.7
149.13301	3.0
151.07567	2.2
153.06947	2.8
153.09164	4.4
155.08562	6.1
157.06509	4.7
157.10143	16.2
159.08078	4.6
159.11655	10.8
161.06055	2.3
161.09598	8.9
161.13300	2.0
163.07555	2.2
163.11189	11.5
167.07059	5.7
167.08482	2.8
169.10135	5.9
171.03235	1.8
171.08131	3.8
171.11678	6.6
172.08920	2.2
173.09685	3.8
173.11754	7.4
173.13220	4.1
175.07503	1.9
175.11165	10.5
177.00748	2.8
177.12752	7.6
181.10123	4.6
183.11694	4.0
185.09715	4.0
185.11852	2.1
185.13327	6.3
187.11217	5.1
189.00787	2.7
189.09222	9.1
189.11221	11.5
189.12758	3.8
193.08594	2.3
193.12234	15.8
195.10126	2.3
195.11777	3.4
199.11200	6.0
201.12720	6.5
203.10727	14.1
203.12785	6.3
203.14449	3.2
205.12285	7.7
207.13780	1.9
213.12825	2.7
215.14313	3.4
217.12120	3.7
219.13953	3.4
222.10924	1.9
223.13281	6.5
229.07472	4.4
229.96440	2.1
231.13855	4.3
233.15463	2.2
247.08574	3.4
249.14897	8.4
259.10019	2.9
259.12854	6.3
263.16461	2.6
283.20554	2.5
291.12781	2.1
293.10757	3.3
301.21631	6.2
311.20032	20.5
321.04666	2.5
329.21088	100.0
330.21445	3.5
331.14948	7.6
331.65262	2.7
340.15363	40.6
340.65585	14.2
347.22311	16.9
367.22693	5.6
385.23795	8.5
403.24811	56.6
404.25076	2.4
412.17560	6.1
412.67636	2.8
421.17755	15.8
421.25937	80.5
421.34503	3.2
421.68359	7.6
435.57712	2.1
443.21216	6.4
443.27563	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	421.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57209	0.2
54.54757	0.2
57.03419	0.2
69.03414	0.4
70.98817	0.3
70.99178	0.4
71.04986	0.4
81.03379	0.3
83.02486	0.2
85.02888	0.8
87.06705	3.4
89.06025	0.8
97.02888	0.7
109.02872	0.2
112.32255	0.2
113.04566	0.4
126.03024	0.2
127.03876	0.3
130.89244	0.2
141.04073	0.6
143.05638	100.0
144.04016	0.4
144.06021	0.4
190.86649	0.2
230.50052	0.2
277.28397	0.2
278.19333	0.2
305.10867	0.4
421.15619	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
55.05508	1.6
57.07055	2.8
57.90202	1.0
67.05500	5.1
69.03421	3.3
69.07056	3.6
69.61840	6.6
79.05501	8.6
81.03411	3.0
81.07056	100.0
82.07365	1.9
85.02910	6.9
87.00819	3.3
91.05475	3.2
93.07027	2.8
95.08600	15.6
97.02901	5.6
99.04443	1.5
105.01864	5.8
105.07035	1.8
107.20975	1.0
109.02895	2.3
114.27621	1.0
116.90588	0.9
119.08495	1.3
123.04409	1.3
127.03912	7.7
137.13257	22.7
145.04947	5.6
149.05817	1.0
159.02914	1.6
167.07028	3.2
178.63214	1.2
182.05394	1.2
203.74547	0.9
231.04988	3.2
343.42688	1.1
391.59402	1.0
420.22311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01870	3.3
55.05507	1.8
56.05013	1.2
56.96560	2.1
57.03446	1.0
61.02906	1.0
63.58900	0.8
65.03946	1.3
67.05490	3.1
68.99784	3.7
69.03423	2.7
69.96172	5.4
70.06595	6.5
71.01336	1.8
72.08172	4.4
73.02917	2.0
77.03937	1.2
79.05497	1.7
81.03409	3.5
81.07050	1.4
83.04974	1.4
83.06116	1.1
84.04517	1.4
84.08125	1.5
85.02910	6.5
86.09708	2.5
91.05485	2.5
95.01353	1.3
95.04951	4.5
97.02928	5.7
98.21462	1.1
98.97598	1.8
99.04480	1.8
103.03977	1.2
105.03369	1.4
107.04935	2.0
109.02889	1.9
109.06518	1.8
110.07159	1.0
111.00804	1.2
111.04459	3.3
113.06050	1.0
113.40762	0.8
115.05445	2.1
116.07086	1.6
116.98595	1.4
117.03361	1.0
119.04964	2.6
121.02834	1.8
121.06507	1.4
123.04433	100.0
124.04745	1.0
127.03918	5.1
130.06558	1.3
131.04930	1.7
132.04437	1.7
135.04419	7.0
137.02362	8.9
137.03340	1.5
137.05952	2.9
138.05478	1.5
139.03908	19.6
143.03415	1.3
143.05663	9.5
145.06483	1.4
147.04419	8.5
149.02330	2.6
149.05988	2.2
151.03922	6.1
151.48799	0.9
153.01796	1.9
156.07671	1.5
157.07628	4.0
158.06107	1.0
159.09193	1.3
160.05177	1.9
161.05972	3.7
163.03920	22.8
165.01912	6.3
165.05504	3.6
165.06886	1.6
167.03433	5.1
167.07092	1.5
169.03203	2.0
169.06635	1.0
173.05998	3.8
175.03911	3.1
175.08723	1.4
177.00685	1.1
177.05487	6.2
179.03461	5.8
181.04984	8.6
185.07091	4.0
187.03925	1.5
189.05441	5.1
191.03409	8.4
193.04968	2.7
197.05855	1.2
201.05464	3.9
203.03467	1.5
205.04982	3.9
207.06528	2.0
209.04317	1.5
211.02364	1.5
211.07585	1.5
213.05679	2.0
217.04991	9.9
221.04378	2.0
221.06165	1.0
227.07094	2.1
229.04988	2.6
231.06569	2.1
233.04503	4.5
235.05946	7.0
237.02881	2.2
237.05400	1.7
239.07076	1.2
239.11555	1.1
241.04999	1.8
243.06534	0.9
245.04440	4.7
253.07138	2.6
255.06566	2.0
259.06042	2.8
263.05511	10.1
269.06573	3.9
271.05972	5.7
273.07620	2.2
275.06305	1.2
281.06781	5.0
283.06079	3.1
285.07605	9.1
287.05392	2.2
289.07153	1.8
295.05991	1.4
299.05444	1.7
300.13730	1.2
313.07059	5.3
321.07721	1.2
339.08615	2.0
343.07956	4.4
355.08228	2.0
367.08154	5.2
385.09146	9.3
403.10104	3.7
421.11188	3.8
421.16550	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
54.37752	0.6
55.01876	1.9
55.05503	2.1
55.23701	0.6
57.03437	1.7
57.07069	2.4
61.02930	1.7
67.05505	7.1
69.03432	7.5
69.07076	6.2
70.74112	2.1
71.05004	1.4
72.99406	0.6
73.02908	1.3
74.19536	0.7
79.05495	10.3
81.03426	5.9
81.07057	100.0
82.07365	0.9
83.04984	1.0
83.08622	1.2
83.75240	0.6
85.02904	20.8
87.00831	8.0
91.05480	2.8
91.39323	0.6
93.07063	3.0
95.04983	1.8
95.08607	21.2
97.02898	8.6
97.06535	1.4
99.04460	3.8
105.01874	14.4
105.03397	1.0
105.07035	2.3
107.04937	0.7
107.08620	2.2
108.04478	1.3
108.40632	0.6
109.02882	5.9
109.10175	1.5
111.04343	0.7
111.08071	1.1
116.98643	0.9
119.08611	1.4
121.10177	1.4
123.04434	0.7
123.08101	0.7
127.03922	16.9
129.01843	0.9
131.08582	1.2
131.52745	0.7
133.10162	0.8
135.11652	1.4
137.13255	21.5
143.08565	0.7
145.02831	0.9
145.04961	9.5
145.10118	0.8
147.08009	0.8
147.11630	1.1
149.02370	0.8
153.12770	0.9
157.10136	0.7
159.02872	3.4
161.13245	0.7
167.07097	1.9
168.07431	1.0
176.35664	0.6
177.05429	0.9
177.09193	1.0
177.12671	0.9
189.04031	0.8
193.04982	0.8
195.10094	1.1
213.03958	0.9
221.15430	0.7
231.05061	4.5
249.06143	2.0
349.16266	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58496	5.1
55.01873	7.3
56.05043	9.9
56.05295	6.3
57.03439	31.6
58.99591	8.7
59.04994	7.9
60.04522	6.1
69.03439	82.3
69.68166	44.3
70.06593	17.5
72.08160	9.9
73.02924	6.5
76.02229	11.6
79.05504	14.4
81.07068	11.9
83.04965	8.1
84.04497	17.6
84.08166	9.1
85.02900	69.2
86.00636	9.7
86.09715	10.3
87.04477	34.3
91.05485	88.3
93.07103	9.0
95.05009	8.7
95.08588	10.3
97.02906	61.0
98.06027	8.7
98.09722	9.3
98.97557	6.1
105.07024	20.3
107.04984	18.5
110.09649	6.6
113.04299	6.4
115.03922	75.1
116.01729	6.4
117.07076	7.7
123.04439	16.2
127.03915	17.1
130.03246	8.9
130.04977	6.3
131.04871	6.2
133.04970	100.0
137.06017	14.3
143.05632	15.3
143.06718	9.6
145.04970	11.4
147.04427	10.9
149.06114	5.7
150.07559	13.8
156.08461	10.9
159.33499	6.6
163.07553	7.7
167.07071	18.5
174.09456	7.7
176.03700	9.3
177.05482	12.8
179.10684	8.1
181.04976	7.7
193.04945	7.0
259.11127	9.0
273.12762	57.3
403.08008	16.8
411.70859	6.8
420.16455	7.9
421.09158	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	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57446	2.3
53.03947	13.3
55.01870	20.7
55.05499	8.0
56.96570	2.3
57.03428	10.2
57.07076	27.1
58.52395	2.3
59.05014	12.3
61.02919	7.6
63.58036	2.6
67.05503	18.3
68.99787	5.7
69.03429	49.7
69.07062	15.0
70.06587	3.4
71.04990	9.6
71.60590	3.5
72.08137	2.7
73.02918	7.7
79.05476	7.0
81.02986	4.3
81.03420	48.8
81.07061	12.2
83.08623	4.0
85.02907	86.2
85.06526	11.0
86.09695	6.6
87.00836	31.1
91.03962	3.7
91.05482	7.4
93.07047	10.5
95.04961	9.0
95.08610	77.9
97.02889	32.1
97.06526	10.6
98.97646	2.7
99.04477	17.7
99.08082	19.6
103.03908	2.4
103.05482	7.4
105.01857	21.6
105.07023	7.8
107.04977	6.7
107.08603	14.8
108.08128	2.9
109.02891	43.9
109.06490	11.4
109.10162	22.4
111.08087	9.9
111.11736	3.6
113.09645	69.1
115.03932	6.2
115.82867	2.3
116.98636	2.6
117.01839	5.6
119.04986	3.3
119.08614	4.4
121.06535	5.6
121.10144	2.8
123.04436	11.3
123.07923	2.5
123.11739	3.6
127.03922	64.9
127.11208	8.4
129.01845	5.2
129.06943	2.4
131.04892	3.9
131.08601	2.8
133.06448	5.4
135.04388	3.2
135.11676	19.4
137.02322	4.4
137.06001	5.9
137.09598	2.6
137.13269	7.2
141.07047	2.9
143.05644	7.6
145.04953	18.8
145.06509	2.8
145.10088	2.7
147.04453	4.8
147.46919	2.2
149.02457	2.6
149.05914	4.0
151.03928	5.5
151.11205	3.5
153.05463	2.8
153.11508	5.5
153.12746	100.0
154.06219	3.6
154.13069	4.2
155.14317	28.7
159.02910	28.5
161.06004	4.9
163.03960	2.8
163.07568	3.4
167.07060	27.2
168.07594	4.3
171.13786	24.3
177.05411	12.0
177.09151	4.5
177.12781	2.7
181.04955	18.8
191.05469	4.4
191.06926	11.9
193.08652	4.9
205.08385	3.2
207.06490	5.1
209.08205	14.2
213.14757	4.2
219.10173	2.6
220.02510	4.4
228.60747	2.5
231.05002	11.6
299.05560	6.9
300.06259	3.2
313.07092	3.8
329.06619	6.0
353.06680	3.1
383.07657	7.7
386.11877	2.9
401.08691	4.2
419.09531	6.0
419.14206	5.4
419.18887	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	419.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.5
55.01871	61.7
55.05495	1.5
55.17236	1.4
56.96568	2.4
57.03438	2.1
62.36351	1.2
65.03930	8.4
67.05503	7.2
69.03435	7.0
69.07050	2.8
70.06594	2.5
71.05003	1.9
71.60899	2.3
72.08133	1.7
78.04706	2.7
79.05481	11.5
81.03428	4.1
81.07059	5.6
82.04188	3.7
83.04969	3.1
84.08115	3.3
85.02917	9.9
86.09692	2.0
89.03913	2.3
91.05473	11.2
93.03432	1.6
93.07045	5.7
95.04977	10.9
95.08600	2.6
97.02911	4.7
97.06527	4.0
98.97617	1.7
99.04453	1.6
101.26749	1.5
101.73035	1.4
103.05459	14.1
105.07026	17.9
106.04207	2.6
107.04958	15.2
107.08652	2.9
108.02072	3.5
109.02907	1.9
109.06551	2.2
109.10143	2.2
110.03648	4.9
111.04426	3.7
111.08064	2.3
115.05463	6.6
116.06257	2.1
117.03310	1.6
117.06989	3.3
119.04951	3.9
119.08575	2.3
121.06481	10.6
122.03649	1.5
123.04413	9.7
124.05262	3.7
124.07560	1.8
125.05998	4.9
127.03921	2.7
129.06975	4.7
131.04924	7.8
131.08566	6.6
133.06512	16.1
133.10176	1.6
135.04445	4.5
137.06012	6.7
137.09552	1.3
138.03177	2.5
139.03923	2.1
140.04689	2.2
141.06985	3.2
142.02647	2.3
143.05696	1.7
143.08546	2.1
144.05670	7.2
145.06493	4.9
145.10091	1.6
147.04405	2.0
147.08061	1.9
148.05179	4.7
149.02367	1.6
149.05992	18.3
151.03989	3.0
151.07523	2.9
152.04596	1.9
153.01825	5.7
153.05460	3.2
155.07121	3.3
156.05688	2.3
157.06453	2.6
159.04440	4.1
159.08066	9.6
160.55814	1.5
161.05962	20.0
163.03879	2.7
163.07533	4.0
165.05516	3.6
167.07039	89.4
168.07378	4.1
171.06563	9.1
173.06024	4.3
175.04007	1.9
175.07495	3.3
177.05466	61.7
177.09073	2.8
181.04962	100.0
181.08536	4.1
182.05405	1.7
183.06598	6.0
187.07541	9.0
189.09093	2.1
191.07002	13.6
193.08641	13.5
201.27271	1.7
205.06679	2.5
205.08595	11.3
207.06502	3.0
209.08087	94.5
215.06960	2.0
217.08601	3.7
218.09352	2.5
219.08105	4.6
219.10217	7.3
221.06062	2.0
221.08011	3.0
231.08011	2.5
234.06841	2.2
235.07584	3.1
235.09657	4.8
236.08295	1.5
247.07472	2.6
247.09686	7.7
249.09053	1.8
249.11307	14.6
252.07266	1.5
261.08975	2.1
263.07019	2.0
264.07919	3.4
265.10770	8.6
271.09750	1.6
275.06909	1.7
276.07803	2.4
279.10257	2.2
287.05518	95.6
288.05789	4.4
289.08582	2.4
295.09421	1.8
307.09747	5.8
315.08646	1.9
316.00351	2.0
323.12927	2.4
330.11075	1.9
331.02515	2.0
337.10834	2.6
339.12265	1.7
351.12671	2.8
369.13409	7.8
371.14938	3.3
389.15729	2.0
401.15955	19.4
419.17429	12.2
419.22507	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	419.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35309	2.8
53.03936	7.9
55.01876	32.9
55.05503	5.4
56.96546	4.3
57.03425	11.6
64.11579	3.1
65.03932	11.4
67.05500	9.0
68.99796	3.6
69.03140	3.0
69.03440	36.4
69.07088	5.5
70.06595	5.3
70.38557	8.9
70.38914	6.1
71.04997	23.2
79.05491	16.6
81.03403	11.8
81.07056	14.3
83.04973	11.0
84.08161	7.4
85.02918	46.5
91.05492	18.4
93.03429	5.0
93.07042	13.3
95.04976	21.7
95.08624	4.9
96.62257	3.2
97.02893	12.1
97.06519	4.3
99.04415	5.4
103.05441	24.4
105.07047	16.7
107.04967	100.0
107.08576	5.0
109.02885	11.1
109.06514	4.1
110.03682	4.0
111.04415	6.8
115.05451	11.8
118.04198	3.5
119.04952	10.8
121.02915	3.9
121.06502	9.0
121.10172	3.3
123.04437	21.1
123.11674	3.3
125.05987	7.4
127.03912	5.7
128.06238	4.1
129.05533	5.3
129.07010	8.7
130.08699	3.8
131.04932	21.5
131.08580	10.0
133.06488	18.4
133.10179	6.0
135.04430	17.6
135.08084	4.6
136.07602	3.8
137.02406	3.0
137.05963	9.2
141.05499	4.0
141.06932	7.3
142.02588	3.4
143.05754	3.7
144.05678	7.8
145.02856	4.4
145.06531	8.0
147.04443	24.8
147.11670	3.5
148.05234	6.2
149.02350	6.0
149.05965	16.5
151.03902	10.2
151.07491	4.2
153.01837	17.2
153.05450	13.1
153.12732	3.7
155.07048	3.7
156.05739	3.7
157.06505	6.1
159.08072	13.9
159.11630	3.6
161.05991	13.3
163.03909	11.1
163.07573	16.0
165.01863	11.4
165.09161	3.2
167.07063	98.3
168.07379	6.4
171.02853	5.8
171.04245	4.6
171.06551	9.5
173.06012	12.4
175.04010	4.1
177.01869	8.8
177.05495	44.3
179.03362	3.4
181.04974	97.6
181.06546	6.6
181.08513	4.5
182.05446	4.6
183.02911	12.8
183.06511	12.3
187.07559	14.1
187.87746	3.5
190.06175	3.5
191.03418	12.8
191.07040	78.0
193.05038	7.5
193.08629	12.6
195.02939	60.1
199.07486	4.2
203.03358	16.5
203.06996	6.0
204.07776	3.8
205.08551	15.0
207.06552	14.4
209.08130	56.8
217.04970	7.6
217.08612	9.7
219.02957	23.6
219.08180	7.2
219.10172	13.6
221.04390	5.5
221.08070	7.7
223.02844	3.2
231.10173	5.2
235.06010	8.9
235.09669	5.6
245.04445	27.8
247.07573	6.8
247.09726	11.4
248.08286	3.2
249.09047	6.3
249.11266	44.7
256.82101	3.3
259.06003	6.8
263.05444	46.5
263.10214	4.1
264.07742	4.8
265.10849	6.3
273.07495	16.0
276.07959	4.6
279.10144	6.4
285.07623	9.2
287.09244	7.6
292.06982	3.7
295.09717	5.4
297.07889	4.7
307.09656	9.5
311.12585	3.8
315.05341	4.0
315.08551	17.6
323.09030	4.2
327.12241	3.3
330.11047	8.2
337.10800	4.9
339.08612	11.7
339.12280	4.8
340.13202	3.6
341.10168	14.7
343.12067	4.4
353.10205	12.1
365.10242	17.3
369.13425	23.5
371.14944	5.3
383.11096	22.0
383.15424	4.5
389.15665	5.5
401.16287	37.4
419.13062	10.3
419.17264	12.8
419.25174	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23936	6.1
55.01866	18.9
63.82095	6.2
69.03429	9.7
69.07046	5.8
70.06592	37.0
70.96707	14.4
71.05007	7.0
72.08142	10.0
79.05489	19.1
81.03422	18.8
81.07058	15.7
85.02894	15.5
85.07645	7.4
86.09722	20.9
91.05488	13.9
93.07044	12.3
95.04995	9.4
95.08646	8.1
97.02879	11.7
105.07025	15.7
107.04975	24.0
107.08598	8.1
109.02890	11.4
111.04422	8.1
115.05424	10.7
117.07021	20.6
119.08501	8.1
120.08115	9.6
123.04429	7.8
125.06038	6.5
133.06490	12.5
137.05998	12.8
145.06479	12.4
147.04427	9.3
149.06050	7.3
153.12674	9.0
159.08099	7.7
161.05925	16.2
167.07045	100.0
168.07407	6.7
173.06020	12.4
173.12914	12.4
175.07581	12.0
177.05518	9.7
181.04967	42.9
182.05130	7.5
189.12833	8.0
193.08508	9.4
197.24316	6.0
205.08670	23.3
208.05319	8.6
209.07999	9.0
217.08679	13.0
219.13406	8.7
235.09642	8.5
236.04845	6.9
247.09717	16.0
269.08179	8.4
282.09079	6.6
286.04807	10.2
299.05466	15.7
315.08633	59.7
315.15164	7.4
327.12308	9.3
329.06454	13.1
330.10953	82.8
331.12115	10.1
351.12445	12.2
368.11920	7.9
383.07635	19.4
383.14948	13.8
401.16321	12.6
419.10995	12.3
419.18207	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	419.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	0.9
55.01864	2.3
55.05511	3.9
55.05715	0.7
57.07059	1.1
58.99583	4.0
67.05509	11.0
68.05013	0.8
69.07056	5.2
69.67539	1.4
69.67950	4.3
73.02510	0.8
73.02917	11.8
74.00281	1.3
74.00668	16.1
74.02446	1.0
76.02233	6.3
79.05496	2.6
79.64620	0.7
81.07061	13.7
83.04969	0.9
83.08612	3.2
84.04515	0.9
86.00659	9.3
86.99061	2.6
88.95219	0.8
91.05441	1.7
93.07035	2.6
94.06589	0.8
95.04982	0.9
95.08606	29.2
97.06554	0.8
97.10144	1.0
98.00657	1.1
98.02407	1.4
98.06030	1.0
98.21476	1.2
99.01431	1.1
100.02197	6.5
100.03972	2.3
105.00098	6.0
105.07040	2.2
105.97830	3.0
107.08611	1.9
107.99393	6.8
109.06511	0.7
109.10167	6.8
110.06021	1.2
112.06390	1.1
112.07555	0.9
113.04755	6.5
117.99626	1.2
119.08587	2.4
120.01160	3.4
121.10124	1.4
122.02727	100.0
124.03977	1.5
131.08569	0.9
131.99374	53.6
132.01140	5.9
133.10164	1.3
135.11725	1.4
136.97263	14.0
140.07013	0.7
143.08495	0.8
144.01082	1.7
145.01923	20.4
145.10152	1.0
147.11613	0.7
151.14835	4.2
151.98314	0.9
153.99915	37.7
161.13246	1.4
167.07085	0.8
169.15857	3.6
177.99916	91.4
179.00233	1.0
195.02570	28.8
205.01065	1.1
205.99431	3.2
210.18547	1.2
214.18048	2.1
220.17058	1.9
223.02058	73.1
238.18047	1.6
241.54170	0.8
248.16525	2.6
251.01459	2.1
266.17505	39.1
272.49557	0.7
300.16241	1.7
318.17206	0.9
319.25903	0.9
346.15283	0.8
373.16110	6.7
379.67685	0.7
391.17130	3.5
419.16699	19.0
419.32898	1.1
429.40118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	1.2
55.01864	2.7
55.05306	0.4
55.05515	4.0
56.96551	1.0
57.07073	1.0
58.99583	3.1
66.13588	0.4
67.04242	1.0
67.05506	11.4
68.05023	1.1
69.07065	6.4
69.29951	5.0
70.02939	0.5
71.04984	0.7
71.08624	0.7
73.02918	11.8
74.00663	15.4
74.02425	1.2
76.01825	0.7
76.02230	8.4
79.05487	2.3
81.06586	0.6
81.07060	11.5
83.08607	3.6
85.06560	0.7
86.00652	9.6
86.99049	2.6
88.03990	1.2
88.95174	1.1
90.05540	1.0
90.96769	0.7
91.05470	2.5
93.07043	3.0
95.03699	1.6
95.04990	1.1
95.08607	28.8
97.06517	0.8
97.10168	0.5
98.00652	1.0
98.02387	1.2
98.06045	0.5
99.01402	1.5
99.05559	0.5
99.08096	0.7
100.02200	4.8
100.03973	1.5
103.96264	0.5
105.00095	5.9
105.07018	1.8
105.97839	3.2
107.08577	2.1
107.99403	6.4
109.06473	0.7
109.10155	5.9
110.06037	1.5
112.06315	0.7
112.07568	0.5
113.04736	6.1
114.96674	0.6
116.86312	0.5
117.99601	0.6
119.08577	2.3
120.01173	3.6
120.08061	0.5
121.10137	1.1
122.02728	100.0
123.08090	0.5
124.03951	1.1
124.07612	0.6
125.05970	0.6
130.19922	0.5
131.08595	1.0
131.99374	55.6
132.01128	6.0
133.10139	1.3
135.11681	1.0
136.07643	0.5
136.97273	12.4
144.01123	2.9
145.01924	21.9
145.10139	1.0
147.11707	0.7
149.02269	0.6
150.00409	0.9
150.09103	0.5
151.13809	0.5
151.14801	2.9
153.99919	35.7
157.10110	0.7
159.08034	0.8
159.11755	0.6
161.13216	1.3
167.07051	0.9
169.15869	3.1
177.05429	0.7
177.99916	92.1
178.12367	0.5
179.00069	0.7
179.14301	1.2
185.13258	0.6
193.12334	0.6
195.02576	26.2
202.15828	0.9
205.01077	0.8
205.99443	2.9
210.18472	0.7
214.18034	2.1
220.16957	1.5
223.02061	70.3
224.14806	0.5
238.17978	1.5
248.16467	1.9
251.01613	0.9
266.17523	34.0
290.17645	0.5
300.16385	1.4
318.17422	0.7
373.16232	5.6
391.17032	3.1
401.15753	1.1
419.16705	17.4
419.28424	0.8
419.33060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	17.4
55.01876	13.1
56.96563	3.4
57.03429	8.3
61.02919	8.6
65.03947	4.7
67.05495	2.9
68.99783	12.0
69.03429	34.8
70.06588	4.5
71.04977	9.3
71.59628	3.3
72.08144	5.6
73.02911	10.8
74.06059	3.3
79.05478	6.8
81.03422	37.8
81.07052	2.8
83.01301	2.4
83.04961	5.6
84.04514	2.7
85.02905	100.0
87.00831	38.9
89.03889	3.7
91.03962	3.2
91.05466	5.6
95.04956	3.0
97.02894	44.7
97.06507	10.3
99.04455	15.9
103.03938	5.3
103.05457	2.7
105.01868	28.0
105.07084	2.7
107.04955	27.3
109.02881	38.4
110.06093	2.7
111.04433	23.2
116.04579	3.5
116.98611	3.5
117.01875	4.2
121.02842	2.4
123.04420	10.6
125.05939	4.5
127.03925	61.4
129.00967	2.4
129.01857	9.8
131.04915	3.1
134.99753	3.0
135.04410	11.9
137.05983	3.8
138.05511	5.4
139.03914	45.9
141.05429	2.7
142.04816	2.2
143.05647	63.5
145.02852	4.1
145.04955	23.9
147.02895	6.4
147.04381	5.7
149.02290	4.3
149.05949	3.8
153.05469	3.9
159.02885	24.9
161.05948	2.4
163.03903	37.8
167.06969	3.3
169.04994	3.0
171.06535	54.0
175.03888	2.5
177.00694	2.6
177.04018	2.9
177.05478	9.0
177.98251	3.0
181.05023	14.9
183.06573	3.1
189.03970	8.0
189.05576	2.6
192.04103	4.3
195.06535	35.4
195.08382	4.8
205.04968	9.2
207.02861	2.8
207.06548	7.9
209.08072	3.9
213.04044	3.4
213.07576	20.8
213.09814	26.2
222.05180	6.3
231.05042	7.6
233.08107	5.5
237.07587	20.7
239.11386	28.4
240.15277	5.0
257.12524	25.1
261.07596	16.9
279.08701	19.5
389.07568	3.3
419.18152	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	419.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73959	0.5
71.58602	0.6
73.76363	0.4
79.49831	0.5
94.93015	14.5
120.94550	1.3
122.44240	0.5
136.94022	100.0
148.94026	29.3
166.95087	50.7
178.95091	3.8
190.95073	1.4
196.96133	15.3
208.96123	2.3
220.96062	1.2
238.97243	1.9
256.98260	10.7
419.03525	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	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01868	0.4
65.03921	0.2
67.01863	0.6
68.99789	0.5
69.43935	0.1
73.02892	0.1
79.05486	0.3
84.14352	0.1
89.03912	0.1
89.91924	0.1
91.05498	0.3
98.20769	0.2
103.05442	0.2
105.07028	0.3
107.04945	0.3
111.04448	0.1
117.03381	0.2
123.04436	0.2
129.01839	0.2
129.07077	0.1
131.04839	0.1
131.08530	0.2
133.06505	0.2
135.04424	2.1
137.02348	0.6
149.05997	0.1
149.24203	0.1
153.01831	5.0
158.92326	0.2
161.02332	0.6
161.05977	0.3
167.07048	0.8
170.64702	0.1
171.02875	0.7
177.05484	0.5
179.03389	0.4
181.04993	0.9
183.06577	0.2
187.07576	0.1
191.07057	0.4
193.08609	0.2
205.30318	0.1
209.07993	0.8
217.08565	0.1
241.04922	0.5
241.79434	0.1
249.11279	0.4
259.05966	0.2
269.04407	0.4
287.05493	100.0
288.05847	2.4
318.73065	0.1
330.10858	0.2
369.13412	0.2
401.16022	0.3
419.09634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84953	0.9
55.01894	1.0
56.96573	1.4
57.03424	3.7
61.02916	0.9
69.03423	2.9
69.07069	37.8
70.06598	4.7
70.44444	2.4
70.44840	2.0
71.01365	5.9
73.02924	7.1
79.05506	1.6
83.01334	1.0
83.04994	1.4
85.02904	13.8
91.05504	1.0
95.01303	1.9
95.04964	4.3
97.02885	4.3
97.06523	2.7
99.00835	1.5
101.02379	1.5
103.03973	1.4
112.07600	6.6
113.02385	4.8
116.98656	1.1
123.04425	3.6
126.56468	0.9
131.03407	4.9
134.99637	1.6
135.04434	1.2
140.07074	46.5
141.01819	2.9
147.04424	1.0
154.04956	0.9
159.02873	2.4
163.03969	5.2
167.06972	1.4
168.06564	100.0
169.06786	1.3
186.07608	1.7
219.01816	1.1
220.09727	1.4
221.33870	1.0
237.02766	1.9
242.10254	12.8
284.11102	1.6
376.09219	1.3
379.04224	1.1
418.13223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73426	1.2
55.01856	1.2
56.96571	1.3
57.03428	1.4
58.43781	1.3
67.05493	1.4
69.03419	2.5
70.06570	1.4
71.05003	1.4
71.22285	1.5
71.22600	1.5
79.05485	1.4
81.03414	2.5
85.02880	3.8
91.05480	2.6
95.04970	1.7
97.02901	1.8
105.03315	1.2
105.07009	1.5
107.04954	28.5
109.02951	1.1
119.04968	1.1
119.08615	1.8
121.06441	1.4
123.08040	2.0
135.02182	1.2
140.04935	3.3
147.04399	2.3
151.03899	1.6
154.06476	1.7
155.06033	23.7
159.85065	1.1
163.03952	1.9
166.06528	1.4
167.06020	4.4
167.07300	5.6
168.07150	4.3
169.07610	41.3
169.09065	2.1
170.06012	4.5
177.05421	1.7
179.03584	1.5
179.05995	12.7
181.04968	5.0
181.07646	3.6
182.05957	2.5
182.08455	2.2
183.05550	21.0
183.09149	2.9
184.07693	1.8
185.07101	10.4
193.05052	1.4
193.07625	12.9
194.06067	2.8
194.08011	1.5
195.02899	1.7
195.05534	31.2
196.06291	18.4
197.07111	28.8
198.05521	7.2
198.07376	2.2
201.06618	1.8
203.03435	1.6
207.05350	7.0
208.06337	1.5
209.07088	5.1
210.07857	1.4
211.05009	2.9
211.08696	6.9
213.06575	28.0
221.07077	25.4
222.07590	1.5
223.05125	3.1
224.05659	1.5
225.06578	47.3
226.07082	2.1
227.08174	2.1
229.06076	20.9
235.05887	2.9
237.06575	5.3
238.07303	4.6
239.04523	3.1
239.08122	28.0
241.06067	3.8
243.07570	4.0
245.04552	1.3
249.06564	10.0
253.06036	2.5
255.07713	1.7
257.05566	4.5
263.05579	1.2
265.06015	2.1
267.07629	15.3
269.05554	4.2
271.07153	33.2
272.06546	1.5
277.06094	11.1
283.07089	2.8
285.08679	28.8
285.11371	1.0
286.09076	1.2
287.09189	1.5
295.07123	35.1
312.09735	2.7
313.08163	46.0
314.08456	1.4
331.09283	15.5
340.09372	6.6
341.10181	2.7
353.10172	2.0
354.10806	5.7
358.10327	46.4
359.10788	2.9
364.09271	1.6
365.10123	2.3
372.11841	5.2
382.10327	10.0
383.11014	2.3
400.11374	58.1
401.11746	3.9
418.12387	100.0
419.12692	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01861	3.3
55.05511	36.3
56.92257	0.9
57.03437	22.8
57.07075	23.4
57.55533	1.0
59.04987	1.6
60.66977	0.9
62.41857	0.8
65.03953	1.6
67.05503	47.0
69.03416	2.3
69.07068	58.5
70.59879	0.9
70.66660	1.4
70.67017	2.5
71.04994	2.8
71.08634	11.6
73.06537	1.8
75.04472	4.5
76.92554	0.8
77.19498	0.9
79.05492	22.4
81.07056	64.3
83.04975	4.0
83.08616	43.2
83.09117	1.9
85.06521	3.2
85.10184	7.5
91.05470	8.0
93.06477	1.9
93.07045	30.3
95.04933	1.9
95.08604	51.3
95.19200	1.0
97.06535	17.2
97.10168	21.6
99.08075	2.8
101.06046	2.2
105.06998	3.5
107.08593	25.4
109.06488	1.1
109.10152	32.9
111.08077	10.0
111.11713	5.8
113.05975	1.3
115.07552	2.9
119.08572	3.5
121.10143	30.1
123.08044	1.6
123.11712	15.6
125.09616	9.6
125.13204	1.6
129.09103	3.2
131.07028	2.0
131.08611	1.4
133.10146	5.7
135.11687	28.5
137.09624	1.8
137.13231	3.8
139.11186	8.6
143.10652	3.2
145.10138	2.0
147.11700	2.0
149.13252	15.7
151.11179	4.8
153.12744	7.2
157.12257	2.3
159.11737	1.8
163.14827	5.8
165.07111	1.0
167.07047	3.3
167.14336	5.7
168.06154	1.1
171.13863	2.7
177.99725	1.0
181.15865	3.2
185.15305	1.1
199.16960	1.3
203.64159	1.0
205.19518	20.5
207.88194	1.1
215.17969	4.4
223.20526	18.5
233.18954	2.2
241.21680	3.4
251.20042	11.6
269.21204	4.3
272.11450	1.1
287.22150	100.0
288.22592	3.3
291.85721	1.0
325.23724	37.7
326.24161	1.4
343.20584	1.6
343.24805	40.3
399.27374	9.4
417.28455	42.7
418.28687	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	417.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.1
55.05510	42.7
56.96543	2.4
57.03185	2.0
57.03440	24.8
57.06819	2.3
57.07072	26.5
65.03928	1.7
67.05502	60.3
69.03413	2.6
69.07066	59.8
69.53634	5.5
69.54061	6.5
71.04986	5.0
71.08622	12.1
73.06562	2.1
75.04474	5.6
79.05486	27.4
80.59006	1.3
81.07055	77.2
83.04991	6.6
83.08619	54.2
85.02888	1.8
85.06520	3.0
85.10178	7.8
91.05472	12.2
93.07041	38.3
95.04991	3.4
95.08606	60.0
97.06532	18.1
97.10164	24.2
99.08098	2.2
101.06025	2.5
103.05482	1.7
105.07037	7.0
107.08604	29.0
109.06497	2.7
109.10152	38.8
111.08067	15.5
111.11742	7.3
113.06047	2.3
113.09632	2.4
115.07583	2.6
117.07022	2.1
119.08555	4.8
121.10134	32.1
123.04404	1.7
123.08091	2.5
123.11710	18.7
125.09623	7.8
129.09102	3.1
131.08578	3.8
133.10106	7.1
135.11697	29.2
137.05992	2.1
137.09612	2.4
137.13266	2.8
139.11188	10.2
143.10683	1.7
145.10101	2.5
147.11659	2.0
149.13254	18.3
151.11188	2.8
153.12755	8.9
157.12271	2.4
159.11726	2.5
162.86708	1.4
163.14859	5.5
167.07042	15.0
167.14337	6.0
171.13766	2.5
173.06036	1.7
181.04897	4.9
181.15845	1.8
185.15305	2.4
205.19533	23.9
215.18044	6.1
223.20549	22.1
233.08060	2.6
233.19005	3.6
241.21664	2.1
251.20143	14.6
269.21121	4.8
287.22162	100.0
288.22540	5.1
325.23724	35.5
343.24802	44.4
365.96994	1.6
399.27344	9.1
417.15442	3.2
417.28455	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98259	0.5
52.81356	0.5
53.03928	0.7
53.49935	0.5
55.01866	0.7
55.05506	1.6
57.03421	2.0
65.03939	2.1
66.71637	0.6
67.05505	1.3
69.07057	1.5
70.80241	1.3
74.38517	0.5
78.04715	1.5
79.05496	3.8
80.05018	0.5
81.07063	10.1
82.06591	0.6
83.08650	0.7
85.02897	1.5
91.05479	2.3
92.05004	0.9
92.91553	0.5
93.03373	0.6
93.07048	2.0
94.06578	0.6
95.04959	1.7
95.08606	1.5
96.08127	1.9
97.06564	0.7
99.08112	0.6
103.05460	0.9
105.07026	1.6
106.06540	1.1
107.04949	1.5
107.08580	2.2
108.08096	0.7
109.06514	0.7
109.10164	1.3
111.04448	0.7
113.73376	0.6
115.05450	1.5
117.07020	2.7
118.06532	0.5
119.08587	1.9
120.08100	0.6
121.10150	1.0
122.06039	0.8
123.04425	2.5
124.05219	1.5
124.07599	5.8
125.06013	0.7
129.07043	0.6
129.72235	0.5
131.04970	0.8
131.08560	1.0
133.06538	0.6
134.09618	1.3
135.11674	0.7
136.07605	1.1
138.09120	1.0
145.06522	3.2
145.10132	0.8
147.06839	0.6
148.04008	0.6
149.09622	0.8
150.12762	0.6
151.03893	0.7
151.09956	0.7
152.03435	1.9
152.04630	1.1
152.07056	0.6
155.06009	1.3
155.08546	0.7
157.07628	0.6
161.05984	0.6
162.09135	2.3
163.07520	0.9
164.10783	3.3
166.05019	9.3
167.07054	38.4
168.06436	0.8
169.07713	0.6
171.06633	0.8
171.09154	0.6
171.11748	0.6
173.06003	5.8
174.94086	0.6
176.03401	2.5
176.14301	1.0
178.15953	0.9
179.06969	0.5
180.13824	1.9
181.04976	13.2
182.09660	0.8
184.09932	1.8
185.08452	0.7
188.10742	0.9
191.07030	2.2
192.02908	1.0
194.04497	1.5
198.07869	3.9
199.08667	4.4
199.12367	1.1
200.07314	0.6
200.10794	3.8
204.13840	6.5
205.08583	1.4
206.15402	10.3
206.17155	0.9
207.06445	0.7
208.16983	2.2
209.10687	1.8
210.03989	0.6
210.09195	0.7
211.08665	2.0
211.12292	1.2
212.09387	7.2
212.10960	0.6
213.10144	2.4
214.10869	0.8
222.14955	3.7
225.06593	0.9
225.10391	0.9
226.07407	1.6
226.11038	2.0
227.08203	1.5
227.11797	8.8
228.10301	4.1
229.13495	0.9
233.08107	2.2
235.09630	1.8
235.93764	0.6
236.09290	0.5
237.10211	2.4
239.08228	1.8
239.11809	0.9
240.08907	3.6
241.09692	3.9
242.10480	2.0
243.07787	0.7
244.08427	2.0
245.09204	1.1
253.09767	1.4
255.11292	10.5
257.09204	7.2
257.12900	1.6
265.09683	2.0
269.09241	2.0
270.10022	3.1
272.08029	1.1
273.09406	0.6
273.12256	3.1
283.10788	100.0
284.11096	5.0
285.09048	0.9
285.12421	2.1
287.10297	9.6
288.11020	1.8
289.11826	0.8
300.11160	0.8
301.11844	68.9
302.12216	3.2
319.12909	61.9
320.13281	1.7
329.11331	18.4
330.11591	1.2
337.18954	0.7
339.17041	0.8
353.18646	1.1
357.18124	3.6
369.17926	0.6
381.18106	1.1
387.14404	5.0
399.19189	39.1
400.19373	1.8
417.15295	8.2
417.20248	20.2
417.25928	0.8
417.31265	1.1
418.15863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03936	0.4
53.43361	0.3
55.01858	0.6
56.06330	0.3
65.03937	2.3
67.05486	1.0
68.99768	0.3
69.03416	0.8
69.07052	0.4
70.48114	1.0
77.03940	0.3
78.04700	2.2
78.50212	0.3
79.05102	0.3
79.05496	2.5
81.03411	0.8
81.07041	1.0
82.04205	0.5
82.33156	0.3
84.08086	0.3
85.02918	1.7
91.05464	1.8
93.03395	0.5
93.07017	0.4
95.04975	1.9
97.02884	0.7
97.06507	0.7
103.05485	2.9
105.03370	0.3
105.07001	0.9
106.04195	1.5
107.04955	2.7
107.08601	0.6
109.02837	0.5
109.06512	0.8
110.03642	0.9
111.04433	0.6
115.05444	3.8
117.07018	4.7
118.04186	0.7
119.04908	0.3
119.08558	0.5
121.02816	0.3
121.06530	0.4
121.10139	0.4
122.03599	0.5
123.04421	6.5
124.04487	0.3
124.05228	3.2
125.05987	0.9
127.05487	0.4
128.06148	0.4
129.07018	0.4
130.04126	0.4
131.04930	2.0
132.05711	0.3
133.02847	0.5
133.06456	0.7
135.08102	0.4
137.05945	1.0
138.03120	0.9
142.02676	0.5
143.05737	0.4
144.05664	0.5
145.06480	9.4
147.08020	0.4
148.05219	1.1
151.03922	1.3
152.04709	1.9
153.05444	0.7
155.06049	2.3
156.05655	0.3
159.04504	0.3
161.05980	0.8
163.07568	2.1
165.05476	0.4
167.07039	100.0
168.07396	1.2
171.06555	2.1
172.05193	0.3
173.05980	13.7
175.07535	0.6
177.05389	0.5
181.04956	30.7
182.05293	0.4
189.05534	0.4
190.06268	0.4
191.07021	6.2
193.08627	0.4
195.06551	0.7
201.05484	0.9
203.07066	0.4
205.08624	3.3
207.10233	0.4
217.08669	0.8
219.08284	0.3
219.10168	0.6
221.08002	0.5
221.38675	0.3
233.08090	8.4
235.09641	4.5
263.09424	0.5
269.08154	0.4
271.06143	0.5
279.10449	0.3
321.07510	0.3
325.81860	0.3
351.08478	0.3
357.13385	0.4
367.11908	0.5
381.13354	0.6
385.12680	0.4
387.14371	14.4
388.14905	0.4
399.14346	0.6
417.15454	29.3
418.16077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03937	0.7
55.01867	0.5
55.05499	0.3
59.31721	0.3
65.03926	1.5
67.05500	1.1
68.99480	0.4
69.03410	0.5
69.07063	0.6
71.59901	0.5
71.80692	0.3
78.04724	2.5
79.05480	1.4
81.03416	0.6
81.07034	1.0
82.04183	0.4
85.02897	1.1
91.05501	2.6
93.03378	0.5
93.07021	0.6
95.04964	1.4
95.08603	0.4
96.05755	0.6
97.06518	1.0
103.05447	1.3
105.07034	0.8
106.04159	1.5
106.38311	0.4
107.04949	2.0
109.06519	0.4
110.03695	0.7
111.04449	0.7
115.05452	3.3
117.07012	5.3
123.04429	6.5
124.05207	2.8
125.05991	0.8
127.05408	0.8
131.04900	0.5
134.03632	0.6
137.05972	1.0
138.03062	0.5
144.05699	0.4
145.06487	9.1
151.03899	1.8
152.04680	2.4
155.05984	2.2
161.06038	0.5
167.07039	100.0
168.07413	1.6
171.06546	1.2
173.05983	14.6
181.04958	21.0
190.06311	0.3
191.07033	1.3
201.05531	1.1
205.08588	3.3
217.08620	0.8
233.08069	7.3
235.09627	4.1
248.89267	0.4
283.06113	0.8
295.09714	0.4
313.06979	0.8
337.07199	0.7
381.09720	0.6
387.14389	14.3
388.14905	0.6
399.14761	0.6
399.22318	0.5
414.19788	0.4
417.15442	26.3
418.15762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01194	0.8
51.07782	0.6
54.15543	0.7
56.96560	1.0
57.22490	0.7
60.77982	0.7
70.21674	1.2
70.22098	2.0
77.00913	1.1
81.03407	1.9
83.07053	0.7
98.97527	1.0
109.02871	3.3
119.01919	2.1
120.95374	1.5
128.94322	0.6
132.51630	0.7
137.02985	0.7
138.96388	1.8
156.97491	26.5
157.03424	1.1
174.98540	39.6
175.04543	0.9
175.98668	1.0
180.97444	2.8
182.99055	14.7
183.99039	1.2
194.99068	11.1
196.97093	0.8
198.98531	32.4
201.00095	17.2
202.98065	0.8
206.99211	0.8
210.98538	1.7
213.00101	42.1
214.00130	1.3
216.99629	9.7
221.05072	1.0
222.98494	5.5
225.00101	2.7
228.99577	0.9
231.01169	6.7
237.00157	1.5
240.99644	6.3
246.98512	0.9
259.00723	1.2
264.99640	2.4
274.97473	0.8
276.34946	0.7
283.00562	3.3
301.01703	98.6
302.01822	4.5
319.02762	15.0
337.03717	1.2
342.04480	0.8
357.04327	100.0
358.04697	5.2
375.05341	10.2
376.99548	0.8
393.06372	2.7
398.06989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52723	0.9
54.39292	1.0
56.96574	1.6
57.03457	1.1
65.57030	0.9
69.03425	1.5
70.06603	2.3
70.85836	1.0
71.23114	1.0
72.07045	0.9
72.08157	1.3
79.47953	0.9
81.03413	1.7
84.08149	4.4
85.02892	2.6
86.09665	2.4
97.02883	2.1
109.02876	1.4
113.05970	1.0
116.98621	1.6
119.06068	22.1
120.08123	1.4
123.04440	2.0
127.12334	1.2
137.07014	1.2
138.05513	1.3
143.05637	1.3
146.99596	1.0
147.05542	3.2
148.06319	11.2
149.07106	65.9
150.05537	1.3
152.57718	0.9
163.03926	3.9
165.06606	43.6
166.07402	7.3
177.12738	1.1
183.07645	3.7
219.13846	1.1
230.77396	1.0
237.02759	1.2
237.14836	1.2
255.09758	100.0
256.10260	1.7
274.63715	1.0
340.22815	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06638	2.4
52.14911	2.2
56.96562	13.0
70.42882	8.2
70.43275	4.9
71.95265	3.9
81.07104	2.8
86.79681	2.7
87.68333	2.3
98.97588	67.8
100.97218	4.7
116.98624	82.0
117.98992	2.7
118.98223	5.0
118.99017	2.8
119.38416	2.4
134.99660	65.8
136.99234	6.6
143.28717	2.6
153.00702	12.3
172.94270	3.6
174.97636	2.6
190.95395	13.3
208.96570	6.0
212.19276	2.9
214.95508	3.3
219.02164	3.1
232.96474	9.6
234.99919	5.3
250.94299	4.7
250.97479	7.0
252.97603	7.7
256.96405	15.0
258.96570	2.4
258.99905	7.1
261.03140	5.5
274.94485	5.0
274.97507	94.3
275.97784	6.5
276.97641	31.1
277.00916	10.8
279.00897	3.9
282.99945	4.1
292.95361	7.1
292.98538	100.0
293.98990	3.5
294.98654	27.5
297.98978	2.7
298.97733	4.4
300.97778	5.8
301.01071	10.6
303.00800	4.5
316.95490	4.4
316.98901	10.7
318.98608	18.9
334.96423	11.1
340.59116	3.0
352.97495	3.1
375.00714	3.3
392.96988	10.6
398.98178	4.4
416.98990	14.2
443.02246	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	415.1021
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
55.01850	0.8
57.03398	0.7
61.02890	0.4
65.03911	0.2
67.05484	0.3
68.99776	0.7
69.03403	0.5
69.59422	0.8
69.59852	0.6
75.85556	0.2
79.05489	0.3
81.03383	0.9
85.02911	1.5
86.09663	0.6
91.04967	0.2
91.05479	1.3
92.99726	0.2
93.03386	0.4
95.04935	0.7
97.02859	0.6
98.20828	0.4
103.05441	0.3
105.03377	0.3
107.04922	0.9
109.02876	1.1
119.04943	3.3
121.02015	0.4
121.02870	7.1
121.03735	0.2
123.00843	0.2
126.08179	0.2
131.04878	0.6
135.04372	0.7
137.02322	0.4
141.01825	1.9
145.02840	3.1
147.04353	0.6
147.11285	0.2
149.02277	0.6
149.05965	0.2
153.01807	0.3
159.04390	0.4
163.00209	0.3
163.03917	5.1
165.01830	13.6
167.03345	0.8
167.06989	0.2
169.02843	0.3
171.04369	0.3
175.03894	0.4
177.01813	0.6
177.05498	0.6
179.03365	0.5
181.04933	2.2
183.02885	6.2
187.03909	1.7
189.01801	0.7
190.02620	0.3
191.03391	2.5
193.05096	0.2
197.00751	0.3
199.03960	0.3
203.03368	0.6
205.04962	1.2
207.02878	0.7
208.03770	0.2
209.00806	0.5
209.04494	0.5
213.05374	0.2
215.03372	0.6
221.04469	0.4
225.08954	0.2
229.05032	0.4
231.02956	0.4
233.04466	0.9
239.06976	0.6
242.05795	0.3
243.02878	1.0
249.03973	0.3
253.08598	0.4
255.06505	0.5
258.88367	0.2
261.03894	1.0
263.07019	0.4
267.06506	3.2
269.04272	0.3
270.05249	1.4
271.06024	5.9
272.38419	0.2
273.03906	0.3
277.08536	0.5
279.06519	2.3
280.07135	0.3
281.04892	0.4
281.08072	11.6
282.08655	0.2
283.06003	100.0
284.06439	3.4
291.06491	0.5
293.08151	0.9
294.05045	1.2
295.06027	7.7
295.09653	2.7
296.06442	0.3
297.03903	0.5
297.07471	3.4
305.08066	3.1
307.05991	2.8
308.06805	2.9
309.07541	33.3
310.07861	1.2
311.05447	0.9
313.07065	3.3
321.07590	4.0
322.08420	0.3
323.05743	0.7
323.09106	17.3
324.09622	0.6
325.07089	0.3
333.07578	4.5
335.05579	1.0
335.08987	0.3
337.07050	42.6
338.07446	1.7
349.07062	12.8
351.08606	2.8
355.08170	0.3
361.07074	10.8
362.07324	0.5
367.08118	17.1
368.08603	0.6
379.08127	17.8
380.08386	0.6
397.09171	16.9
398.09396	0.7
415.10245	11.4
416.10736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	9.6
68.61623	8.6
68.73754	10.0
69.55234	75.4
70.06574	12.5
71.73794	9.1
84.04508	12.8
84.91041	8.6
85.02914	10.1
89.36000	9.9
92.93305	10.8
97.07671	19.4
98.06059	9.6
135.27026	10.0
170.82248	10.1
178.91025	10.5
199.19522	10.9
272.12479	11.2
277.95694	12.0
415.10068	100.0
415.18216	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10893	6.8
56.96571	40.2
57.03430	15.3
59.44447	7.3
69.03415	21.0
69.07071	12.9
70.06589	22.4
71.58649	9.0
71.59027	10.9
73.02969	8.9
76.30186	7.6
81.03400	10.0
82.02928	10.1
83.04967	10.8
84.04486	7.7
84.08138	18.5
85.02892	28.3
85.07649	8.6
86.09712	42.0
97.02869	16.5
98.97588	37.8
109.02883	9.8
110.00891	7.1
116.98624	43.2
118.06537	15.8
119.08552	8.1
123.04504	11.1
124.05023	7.6
126.05550	12.1
126.06588	7.5
127.03909	9.9
128.98650	16.2
129.13632	7.0
130.06529	25.8
134.05943	9.6
134.99670	19.4
135.50978	7.4
136.06148	7.6
139.69698	6.7
143.00102	8.4
146.06015	31.0
146.99638	19.0
147.04417	16.7
152.04608	10.4
152.05688	80.9
157.07603	18.8
158.99538	7.6
161.01273	14.6
161.07104	12.5
162.05452	18.7
163.03925	25.6
169.07613	8.5
170.99684	11.9
173.07076	11.1
175.08694	11.9
177.00710	10.9
189.06624	16.7
190.04968	17.2
201.04630	21.2
203.02203	8.7
203.08134	18.7
207.07831	10.6
209.01375	8.1
213.00595	10.4
217.09792	12.4
219.01752	25.0
219.07660	9.0
227.06454	11.3
229.00185	42.3
231.07605	17.6
235.07076	30.7
237.02806	38.5
243.08040	8.7
253.08192	100.0
266.08780	12.8
271.01196	8.8
327.07864	13.6
355.03549	18.4
373.04364	32.2
415.10049	41.5
415.14090	11.9
415.18527	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	414.954
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96501	9.5
56.96811	1.7
70.11829	2.2
71.95189	0.9
77.73309	0.7
85.46999	0.6
98.97585	65.3
99.39265	0.8
112.66293	0.7
116.98624	64.9
130.93214	1.2
134.99661	41.6
140.00137	0.8
153.00708	5.7
158.01166	0.7
172.94296	2.9
178.11911	0.7
190.95346	6.3
192.64726	0.7
197.95082	0.7
208.96504	3.2
213.00029	1.3
214.95554	0.9
232.96503	8.8
241.94113	0.9
250.97537	6.6
256.96445	11.4
274.97507	100.0
275.97913	1.6
290.95331	1.3
292.98569	91.8
293.98947	1.8
297.99179	2.2
303.36087	0.7
307.10800	0.6
308.96436	0.7
310.99734	2.0
314.95700	1.8
316.00201	1.5
316.98965	2.1
317.99295	0.7
332.96533	4.4
350.97372	0.8
372.95911	0.8
390.97095	1.6
392.03836	0.8
414.95776	1.9
432.96494	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	414.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41838	4.0
55.05507	9.5
56.05033	7.1
56.96555	7.7
59.31583	3.4
60.04524	7.3
65.03939	6.2
67.01044	3.5
67.05487	11.8
67.89617	3.7
69.03432	11.7
69.33494	38.3
70.06579	11.7
79.05497	8.5
81.03407	4.3
83.04977	29.5
84.04501	47.9
85.02896	12.4
89.03924	7.0
91.05460	7.6
93.03389	11.9
94.06580	6.6
95.04961	55.7
98.20692	8.2
100.03973	7.5
103.05463	11.8
105.03319	4.7
105.06996	4.8
107.04935	15.7
111.04428	51.6
115.05436	8.7
116.07002	4.1
117.03356	9.3
119.04985	5.7
120.08131	4.7
121.02875	9.4
121.06503	4.9
123.04422	100.0
126.05540	5.4
127.03848	4.3
129.05482	18.7
130.06500	4.6
131.04898	15.8
132.04388	5.9
132.08087	5.2
133.02832	14.8
134.06052	5.8
135.04427	29.6
136.07556	5.5
137.02249	3.8
138.05510	4.0
139.03882	32.2
143.04858	6.7
145.02852	8.1
147.04387	5.7
148.07574	26.6
149.02383	6.3
149.05945	18.0
149.08020	3.9
150.05498	16.3
150.09096	6.1
151.03877	13.1
152.06940	8.2
153.05504	4.8
157.04926	25.5
158.05972	18.8
159.04468	5.2
161.02435	4.3
161.05954	19.9
162.05507	16.4
163.03900	79.7
163.06078	4.5
164.07068	10.7
165.07823	23.6
166.05003	5.3
166.08626	12.5
175.06026	7.0
176.07091	56.0
177.05458	29.5
178.04970	9.5
178.08690	22.2
179.03407	20.5
180.06549	11.0
186.05484	17.3
187.03925	8.9
194.08176	34.3
196.06284	4.4
204.06543	93.1
205.01213	4.2
205.04999	21.7
222.07614	94.1
223.02475	4.5
223.05980	15.4
232.22908	4.4
240.08614	20.9
325.09277	9.6
353.08691	10.7
364.10538	3.8
378.11246	4.5
396.12943	44.7
397.11359	18.4
414.13974	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01865	5.1
55.05504	7.4
56.05023	11.3
56.96557	4.0
57.02820	3.7
65.03928	8.3
67.05515	15.1
69.03439	15.5
70.06588	9.1
70.11579	14.8
72.08128	4.2
74.06076	4.8
79.05482	7.9
81.03410	5.4
83.04985	46.3
84.04505	30.9
84.08130	10.1
85.02914	31.1
86.09699	6.4
86.85040	3.3
87.00816	5.7
89.03915	9.8
89.06032	10.5
91.05465	5.8
93.03391	15.5
94.06553	4.0
95.04963	14.5
96.08091	4.7
97.02893	10.8
102.05558	9.0
103.05483	5.4
105.01848	5.0
105.07014	5.1
106.06535	5.1
107.04948	8.9
109.02865	6.0
109.25271	3.3
111.04446	60.2
115.05450	5.6
117.03367	8.4
117.14788	3.5
119.04951	6.8
120.06535	4.1
120.08125	8.1
121.02853	8.8
121.06510	5.3
122.06075	4.2
123.04418	49.8
124.07621	8.5
127.03922	11.1
129.05492	29.6
130.06555	5.4
131.04918	9.0
131.07079	3.2
133.02852	14.3
133.06427	3.3
134.06009	6.2
135.04462	22.5
136.06183	48.7
136.07281	5.2
136.07455	4.1
137.06502	12.7
138.05492	3.2
139.03903	22.8
145.02849	12.5
145.04922	3.6
145.11746	4.1
147.04401	9.5
148.07530	16.4
149.02333	5.1
149.05980	12.2
149.08070	4.0
150.05511	13.0
150.09135	5.7
151.03893	19.4
152.07115	15.1
157.04959	17.5
158.05989	20.0
159.04456	4.6
160.07628	5.1
161.02354	5.6
161.06015	14.2
162.04112	27.0
162.05492	13.1
163.03864	100.0
163.05840	4.5
164.04315	4.0
164.07053	8.8
165.05475	3.8
165.07852	34.7
166.04927	5.3
166.08632	10.9
167.03410	4.2
175.06042	9.5
176.07077	61.3
177.05478	35.0
178.04919	5.1
178.08653	15.7
179.03374	23.7
179.07050	4.3
180.06606	5.3
181.05005	5.2
186.05551	16.5
187.03874	9.2
189.04129	4.8
194.04465	5.4
194.08134	25.0
197.04454	5.2
204.06566	85.8
205.04999	20.6
205.06728	5.5
220.06009	4.0
222.04256	4.6
222.07629	77.1
223.02502	6.0
223.06020	20.6
237.02773	3.9
240.08656	18.1
281.09937	9.0
282.10248	21.4
309.85156	3.4
350.12234	5.9
353.08575	20.3
375.74142	3.3
385.52258	3.6
396.12830	39.8
397.11264	12.2
414.14288	72.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
55.28064	0.7
56.05034	1.7
67.08120	0.7
69.03423	1.0
70.06592	1.4
71.34984	1.4
72.08149	0.8
74.06069	2.4
81.03389	0.9
84.08138	0.6
85.02906	2.3
89.03941	0.8
97.02918	1.0
102.05498	1.3
110.06024	1.0
117.03418	0.8
119.03555	2.3
120.06580	9.0
123.04372	0.8
124.07619	0.7
136.06190	100.0
137.04597	1.6
143.05630	1.1
145.02873	1.6
147.04488	0.9
162.04121	65.9
163.03987	1.2
165.50076	0.7
177.05479	2.9
268.10486	1.3
272.35010	0.8
281.09937	51.1
282.10309	0.9
413.14172	36.0
414.14484	0.8
415.97635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
54.95623	0.9
55.01864	2.0
55.05510	43.9
57.03436	19.3
57.07076	48.2
67.05506	22.0
69.03417	3.0
69.07067	62.6
70.07395	1.3
70.73738	2.8
71.04979	1.7
71.08628	29.1
73.06541	1.8
75.04454	1.0
79.05484	8.5
81.03445	2.5
81.07053	26.7
83.04986	3.1
83.08617	42.3
85.06532	2.0
85.10172	17.4
91.05470	3.2
91.43343	1.2
93.07041	14.4
95.08609	23.9
97.06532	8.8
97.10168	28.2
99.08098	1.0
99.11729	1.2
101.06037	1.7
105.07020	1.2
107.08592	11.3
109.10155	12.6
111.08092	5.2
111.11715	9.0
114.72691	1.0
115.07584	2.5
121.10142	10.0
123.11720	5.5
125.09617	5.8
125.13268	2.0
129.09119	1.9
135.11682	10.6
137.13289	2.8
139.11177	6.0
143.10686	2.0
149.13245	7.8
151.14833	2.2
153.12735	5.5
159.11659	1.4
163.14825	5.0
165.16431	1.2
167.14374	4.2
173.00993	1.0
177.16443	3.7
181.15930	3.9
191.17957	1.6
195.17471	2.3
201.76440	1.3
205.19623	2.1
209.19055	2.8
213.84077	1.0
223.20543	2.2
251.23758	1.4
286.18182	1.2
303.30515	8.4
321.31454	15.6
322.31641	1.1
395.35275	14.4
396.35751	1.3
413.21664	3.2
413.36279	100.0
414.36884	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	412.223
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
53.03953	0.3
55.05510	3.4
55.87831	0.3
56.96535	0.5
57.05787	0.4
60.54305	0.4
67.05499	0.7
69.03413	1.4
69.54339	2.7
70.06577	1.3
72.08152	36.2
79.05485	0.5
81.03416	0.5
81.07050	0.6
85.02902	1.0
86.09738	0.5
89.03932	0.5
89.62865	0.3
91.05471	2.1
93.07037	1.4
95.04955	0.9
95.08567	0.3
97.02863	0.8
98.97552	0.4
103.05451	3.7
105.07020	1.0
107.04923	0.4
107.08589	0.4
109.02875	0.7
109.10125	0.4
117.03365	1.3
119.04973	0.5
119.08551	0.6
120.08097	100.0
121.06469	0.5
121.08443	0.7
121.10135	0.4
124.07549	0.4
127.03909	0.8
131.04887	0.4
133.10100	0.4
135.07997	0.4
136.06136	0.4
137.05968	0.5
138.93980	0.4
143.05629	0.9
145.02834	3.9
145.10118	0.7
149.05966	0.9
162.03123	0.4
163.03960	0.5
166.08618	3.8
177.05481	5.2
187.11124	0.4
191.10548	0.5
207.06483	0.3
219.06474	0.9
219.14915	42.2
220.15305	0.5
247.14409	11.6
251.09213	2.2
265.15482	2.3
365.08792	0.4
412.17905	2.1
412.26816	0.9
413.13168	0.5
413.21750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.6
57.03428	0.6
69.03414	1.6
70.06588	1.7
70.85957	1.5
71.04991	0.9
72.08158	1.0
74.06067	0.5
78.03736	0.5
81.03413	0.7
84.04539	0.6
84.08119	0.5
85.02919	2.9
85.07648	1.1
86.09706	0.7
86.55585	0.5
87.04454	0.7
89.03924	0.5
89.06025	1.7
89.07154	1.8
91.05451	0.5
97.02872	1.5
98.06055	0.5
99.08122	0.7
103.05471	0.7
109.02845	0.6
109.06503	0.7
110.06036	1.7
110.07158	0.6
116.98604	0.6
117.03368	0.6
119.05029	0.5
121.06501	0.6
127.03886	1.3
131.04958	0.6
131.08572	0.6
136.06178	5.0
137.05928	0.6
142.08633	2.2
143.05630	0.6
145.02856	2.2
147.04408	2.2
150.33434	0.5
154.08661	1.1
161.05901	0.6
162.04153	1.2
163.03868	1.0
171.72066	0.5
177.05461	3.9
183.06500	0.6
207.06575	1.5
215.07114	0.6
219.06544	0.5
233.08107	0.7
237.07683	1.0
251.09174	1.5
251.14018	0.8
261.07645	1.4
279.08682	2.0
281.09821	0.9
339.11273	0.9
355.60229	0.5
367.12961	0.5
413.14175	100.0
414.14597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
56.96558	7.1
64.26051	4.0
65.03940	4.1
67.05506	8.1
69.03418	7.5
70.06605	4.0
70.95802	3.4
71.50556	8.2
75.04531	3.1
79.01852	3.5
79.05495	4.0
80.55189	3.1
83.04993	13.2
85.02895	7.6
86.09718	7.2
86.30060	3.7
89.03903	4.9
94.06578	4.0
95.04973	16.3
96.69386	3.8
97.02896	4.7
104.05016	3.7
107.04956	6.4
111.04457	10.1
118.06548	5.3
119.04969	6.1
120.08122	4.6
121.02893	4.5
122.06046	12.8
123.04417	18.2
129.05534	4.5
131.04926	9.6
132.04483	11.0
133.02855	6.4
135.04431	12.5
139.03909	6.5
145.02882	6.8
146.06012	14.2
147.04442	22.4
148.07608	7.2
149.02373	4.3
149.05940	4.8
150.05501	99.5
151.03949	4.4
152.07062	10.8
157.05013	5.1
160.03981	4.6
160.07574	3.7
161.02332	4.4
162.05463	5.9
163.03920	37.1
163.06293	3.9
164.07106	17.1
165.05450	7.7
174.05511	18.3
175.03917	16.9
175.06134	4.1
176.07126	9.8
177.05481	6.7
178.04973	29.4
179.03415	11.2
188.07068	5.9
192.06587	42.8
194.08182	9.0
196.06119	6.2
202.05037	16.7
203.03333	10.5
206.08029	4.4
220.06033	100.0
220.09464	4.0
221.04401	6.1
238.07141	29.8
394.11127	17.2
412.12344	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	412.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.0
55.01862	7.3
57.03432	6.6
57.78173	1.3
61.02917	6.5
67.05494	1.7
68.99773	2.9
69.03432	39.1
69.07082	12.0
70.06583	4.7
71.04976	4.4
71.60570	1.5
71.60982	2.6
72.08141	1.4
73.02917	9.4
81.03414	29.8
81.07066	3.5
83.04971	2.9
85.02905	100.0
86.03240	1.5
86.09689	1.7
87.00832	47.3
87.04453	3.0
87.08109	12.9
91.03947	2.6
91.05466	4.3
93.07024	2.8
95.04989	2.3
95.08604	1.7
97.02897	47.7
97.06520	3.0
97.74618	1.4
99.04448	16.9
105.01866	67.6
105.07015	2.5
107.08611	2.4
109.02883	35.7
109.06483	2.3
115.03967	1.5
117.01881	3.3
117.03396	2.0
117.07069	2.2
119.04967	1.9
119.08590	2.8
119.10704	2.9
121.10135	1.9
122.06027	1.6
125.05979	1.6
127.03917	79.1
129.01833	4.6
129.09145	2.2
131.08534	2.2
136.07582	2.6
137.05963	2.3
143.05701	2.8
145.02859	5.5
145.04961	40.8
145.10138	4.1
147.02924	2.6
147.04416	3.3
147.08046	1.6
147.10172	5.2
159.02907	20.8
159.07970	1.8
163.03874	1.8
173.09636	1.8
175.03975	2.2
177.04083	2.7
177.05498	7.4
189.04007	2.5
207.06514	3.5
213.04010	5.6
215.10693	2.5
219.06516	1.5
231.05009	15.2
232.14066	1.7
233.11703	2.5
249.06073	4.1
251.09148	2.9
296.46005	1.5
320.01395	1.8
383.20316	6.9
412.20303	54.5
413.21423	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05511	11.7
57.07090	5.0
64.21133	4.9
67.05505	23.7
69.07069	33.1
71.08629	4.6
79.05489	14.7
81.07059	60.1
83.08618	13.6
89.30145	4.0
91.05484	15.0
93.07053	56.7
95.04961	7.3
95.08604	94.1
97.10178	10.3
98.21564	6.5
105.07027	34.1
107.08590	91.4
109.10160	54.3
119.08564	40.7
121.10138	75.0
123.11707	16.5
131.08551	5.7
133.10127	31.3
135.11678	31.9
137.13237	4.6
145.10153	12.8
147.11710	25.0
149.13245	57.7
149.63376	4.7
159.11714	10.2
161.13251	24.2
163.14830	88.0
173.13284	8.9
175.14818	28.2
177.16357	47.3
179.14326	9.3
182.04758	4.5
187.14882	15.1
189.16356	40.6
191.17953	23.7
203.17961	46.1
205.19618	8.5
207.17418	5.6
215.17896	6.1
231.21133	23.7
255.20880	4.7
282.90945	4.9
358.78836	4.7
393.35092	13.4
411.36212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01865	9.3
55.05507	76.3
57.03447	15.7
67.05177	5.0
67.05507	67.9
69.03426	3.6
69.07071	26.1
71.04997	5.9
71.61265	6.4
76.07635	3.6
79.05495	63.9
80.28976	3.3
81.07056	100.0
83.04971	12.7
83.08613	29.8
85.06522	5.8
91.05481	27.1
93.07049	46.1
95.04971	9.7
95.08611	25.1
97.02888	3.5
97.06512	9.2
97.10179	38.7
99.08092	3.6
100.05717	3.1
105.07008	11.8
107.08588	50.7
109.06512	3.9
109.10137	6.5
111.08104	3.6
117.07016	11.1
119.08575	4.9
121.06537	6.1
121.10152	15.0
125.09629	40.0
131.08536	9.9
133.10133	12.6
135.11655	9.7
143.10670	10.4
147.11729	4.7
149.13239	29.9
156.62164	3.7
159.11731	15.6
161.65974	3.6
162.95335	3.7
177.12700	7.7
195.13841	16.5
199.13316	39.6
213.14917	3.5
269.17468	34.2
323.00278	3.8
393.26263	12.7
411.27478	47.9
412.33719	4.2
416.80707	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	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.01868	0.4
55.05504	0.7
56.96555	0.5
57.03423	0.8
58.03687	0.3
58.91004	0.4
66.90034	0.4
67.05509	1.0
69.03423	1.4
69.07050	0.6
70.06586	1.7
71.04983	0.6
71.60075	0.6
72.08145	0.6
79.05466	0.6
81.03413	1.1
81.07040	0.9
83.04958	0.6
83.87097	0.4
84.08150	0.9
85.02925	1.9
86.09694	1.0
91.05499	1.9
93.07069	0.5
93.70718	0.3
95.04970	1.0
95.08552	0.4
96.51566	0.4
97.02902	1.0
98.97575	0.6
99.04443	0.5
103.05456	0.5
105.07025	1.1
107.04958	0.5
107.08572	0.7
108.08184	0.4
109.02910	0.7
117.07018	0.8
119.04976	0.8
119.08565	0.4
120.08060	0.8
121.02866	0.5
122.07034	0.4
123.04430	1.1
127.03931	0.9
131.08597	0.4
133.10088	0.4
135.04427	0.9
136.07552	0.5
137.05945	0.7
139.03908	0.5
143.05695	0.9
145.02867	0.5
145.10083	0.5
147.04419	1.4
147.08101	0.5
147.09169	3.2
147.91013	0.4
149.09634	0.5
150.05551	0.6
151.03918	0.4
161.06027	0.7
163.03957	2.0
164.04607	0.5
175.03940	1.0
177.05560	0.9
191.08266	3.1
203.05363	0.8
207.06569	1.4
209.02802	0.6
231.13713	0.5
249.07538	0.7
281.15057	1.5
285.11578	0.5
307.12997	0.7
309.04160	0.9
309.07458	0.5
315.08701	0.4
325.14011	3.0
335.46948	0.4
347.13492	0.7
365.14456	0.5
367.17188	0.5
393.08719	0.7
393.13928	1.1
394.12592	0.7
411.19888	100.0
412.15744	0.4
412.20432	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1987
Annotation	diflorasone
Peak:m/z	Relative Intensity
51.29886	0.6
53.83896	0.5
67.39153	0.6
69.03421	1.0
71.34298	1.0
71.34643	0.6
82.01638	0.6
91.05480	3.1
108.17422	0.6
112.74696	0.7
162.96825	0.7
223.05739	0.7
237.64490	0.6
325.03595	2.2
367.04440	0.7
411.19876	100.0
412.20157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
56.96549	0.3
57.48011	0.2
62.82653	0.2
69.03423	0.6
69.07054	0.7
70.06573	0.8
71.04978	0.6
71.59844	0.3
71.60296	0.3
72.08141	0.5
79.05470	0.3
81.03442	0.2
81.07048	0.4
82.02873	0.2
84.08138	0.3
85.02894	0.9
85.07613	0.3
86.09711	0.5
91.05465	0.7
93.07040	0.4
95.04986	0.3
97.02879	0.5
98.97565	0.4
99.04510	0.3
106.60517	0.3
107.04950	0.2
107.08622	0.4
109.02887	0.3
109.10132	0.2
116.98602	0.4
119.01925	0.3
119.04939	0.2
120.08128	0.3
122.06058	0.2
123.04438	0.5
127.03909	0.2
131.08577	0.4
135.04420	0.3
136.87149	0.3
137.05937	0.3
139.03864	0.2
140.07066	0.4
143.01918	0.3
143.05663	0.3
145.02855	0.3
145.10118	0.3
147.04417	0.3
147.09137	0.7
161.02892	0.3
163.03931	0.8
175.03856	0.2
177.00717	0.3
191.08197	0.6
203.05254	0.9
207.06479	0.7
207.08690	1.2
214.06752	0.2
217.60924	0.3
221.77782	0.2
223.06355	0.2
225.09666	0.4
231.08676	0.5
237.02760	0.3
249.09758	1.5
249.11252	0.6
267.10776	3.3
268.10684	0.3
281.14990	0.6
285.11972	0.4
291.10681	0.9
291.77228	0.2
309.11856	1.6
325.13943	0.8
351.13077	0.3
353.15671	0.4
365.14417	0.2
411.16110	100.0
412.16498	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
55.05510	1.0
56.05045	0.5
56.96553	0.6
60.99133	0.5
66.64379	0.4
67.05511	0.5
69.03442	0.8
69.07061	0.6
69.42554	4.0
70.06583	3.0
72.08165	0.8
76.28419	0.4
81.03426	0.8
83.08602	0.8
84.04512	0.6
84.08136	1.1
84.08976	0.5
85.02926	1.0
85.04822	0.5
86.09700	1.1
91.05476	1.2
95.04973	0.7
98.97546	0.5
107.04955	0.8
109.02842	0.5
112.07605	0.5
116.07117	0.5
118.01254	0.9
119.04990	0.6
122.05983	0.8
131.08574	0.6
140.07091	0.9
143.05634	0.6
145.02852	0.6
145.06458	0.6
147.04370	1.0
151.03912	0.5
163.03967	0.7
164.01764	1.2
165.02083	0.8
165.47784	0.5
167.06992	0.5
175.03876	0.5
177.05452	0.8
184.07487	0.7
203.05258	27.4
207.06546	1.1
212.07126	0.9
231.09978	4.3
238.05013	0.6
249.07523	0.5
249.09642	0.6
265.11026	1.0
267.10733	2.4
270.07648	0.6
275.84570	0.5
291.10785	1.8
292.21722	0.4
309.11710	2.7
315.05219	0.6
351.12933	1.4
363.06729	0.4
376.46918	0.5
393.08466	0.7
393.89465	0.4
393.96042	0.6
411.16248	100.0
412.16644	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	20.6
56.69911	8.6
56.84570	8.2
60.30198	7.9
61.47723	8.8
65.18896	7.7
67.05495	34.4
69.07072	21.6
69.93042	51.1
71.05006	19.3
79.05485	25.0
80.04970	7.4
81.07063	100.0
83.08598	16.0
91.05517	11.8
93.07042	79.9
95.08603	93.4
105.07033	69.1
107.08597	63.0
109.06524	14.2
109.10146	52.0
111.08099	14.3
119.08582	56.1
121.10126	52.2
123.11722	30.1
131.08531	24.0
133.10123	32.6
135.11720	32.4
137.13187	10.2
145.10139	27.3
147.11720	31.5
149.13263	53.6
157.10164	20.6
159.11694	40.9
161.13278	37.9
163.14778	21.4
173.13303	21.5
175.14775	15.7
177.16393	18.3
187.14850	20.6
189.16391	24.9
191.17949	12.3
201.16495	11.9
203.18065	16.8
213.16481	13.9
217.19481	27.3
229.19647	8.9
241.19629	12.2
255.21051	13.7
303.57028	10.0
351.30301	11.8
391.33411	25.6
409.34616	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
51.02363	1.9
52.43343	1.3
53.03934	3.5
55.01865	3.1
55.05510	20.9
57.07076	9.1
59.04998	4.0
59.33621	1.4
65.03935	3.6
67.05173	2.1
67.05503	30.2
69.03428	9.0
69.07059	9.8
71.04955	2.0
79.05488	26.6
81.03426	2.2
81.07053	38.0
83.04961	5.5
83.08617	4.6
85.06531	5.1
91.05478	40.7
93.07044	56.0
95.04967	50.4
95.08601	34.6
97.06533	9.0
97.44209	1.6
103.05480	3.3
105.07028	100.0
107.04962	3.7
107.08595	28.7
109.06503	13.0
109.10158	21.4
111.08057	2.5
115.05440	4.7
117.07022	17.3
119.08579	69.6
121.06499	16.3
121.10136	16.1
122.07278	3.3
123.08060	21.4
123.11709	2.2
125.06004	2.9
128.06213	6.7
129.06998	10.7
130.07770	4.7
131.08557	25.5
133.06497	4.2
133.10126	17.3
134.99649	2.3
135.08047	18.2
135.11674	7.8
137.09615	11.9
141.06923	3.1
142.07793	16.0
143.08557	14.9
144.09300	2.1
145.06490	2.9
145.10129	40.3
146.10831	2.2
147.08035	18.9
147.11678	33.9
149.09616	12.3
151.07538	26.7
153.06992	4.9
153.09210	1.9
154.07780	2.9
155.08562	9.8
156.09314	7.4
157.10124	25.4
158.10896	2.6
159.08081	7.7
159.11673	17.9
160.08858	2.5
161.09583	8.4
161.13271	6.7
163.11121	7.0
164.91277	1.5
165.09117	35.6
167.08554	6.7
168.09326	5.6
169.10106	14.0
170.10870	3.5
171.08142	1.9
171.11713	15.3
172.12589	1.5
173.09650	5.9
173.11964	2.1
173.13242	9.3
174.10475	4.1
175.11183	23.9
175.14861	1.8
176.75246	1.5
177.09081	4.1
178.09975	1.7
179.08479	2.5
181.10132	5.7
181.12135	2.4
183.11732	12.4
185.09740	2.5
185.13269	7.5
187.11218	5.9
187.14827	4.6
189.12732	9.0
191.14311	2.2
193.10239	2.7
195.11731	4.9
196.12393	1.8
197.13300	4.0
199.11195	3.1
199.14879	2.4
201.12709	13.4
201.16428	3.5
203.14311	14.7
207.11813	3.1
207.13835	10.4
208.12463	1.8
209.13307	4.7
209.15274	3.2
211.14761	7.4
213.12901	2.5
215.14316	2.6
219.13832	3.6
221.15361	64.4
222.15707	1.8
223.14883	3.2
225.12682	1.8
225.16257	3.9
227.14236	2.4
229.15897	6.3
231.13847	5.1
233.15427	4.0
234.16103	12.7
239.14433	1.8
253.15833	2.9
271.16730	1.8
281.18915	1.8
286.19406	3.3
287.20166	8.1
299.20126	1.9
300.20740	4.5
307.20654	1.9
317.21194	2.4
329.21170	5.4
335.20023	2.3
353.20822	1.9
373.24988	2.6
381.33676	1.4
391.26016	8.1
409.18839	2.1
409.27316	57.6
409.38586	2.8
410.27557	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.05510	22.3
57.07065	6.6
59.04988	3.9
65.03947	2.8
67.05503	22.9
69.03416	7.9
69.07058	13.4
69.28745	18.1
71.04971	1.6
72.43604	1.7
79.05489	20.2
81.03385	1.9
81.07053	35.0
83.04970	5.5
83.08590	2.3
85.06565	2.4
91.05479	37.3
93.07039	45.0
95.04967	50.5
95.08606	32.1
97.06538	8.5
103.05471	3.8
105.07030	100.0
107.04967	2.9
107.08590	24.3
108.08956	1.7
109.06511	11.6
109.10150	16.6
115.05447	3.3
117.07011	14.3
119.04954	2.8
119.08575	69.9
120.08961	1.8
121.06499	19.9
121.10126	14.7
123.08068	17.4
123.11699	3.6
128.06198	3.4
129.07001	8.0
130.07765	5.8
131.08565	21.7
133.06479	4.4
133.10149	17.3
135.08052	13.5
135.11676	7.1
136.26059	1.9
137.09584	11.0
141.06992	5.3
142.07751	11.8
143.08568	14.6
144.09296	3.3
145.06430	3.1
145.10114	35.4
146.10863	2.0
147.08043	16.3
147.11696	36.4
149.09618	12.6
149.13234	1.9
151.07533	17.6
153.09048	2.7
155.08534	7.1
156.09341	4.5
157.10091	18.3
159.08043	5.5
159.11667	14.4
161.09642	6.9
161.13303	3.6
163.11162	3.6
165.09125	30.7
168.09262	2.7
169.10161	9.8
170.10831	1.8
171.11703	8.3
173.09636	6.6
173.11922	2.1
173.13200	10.4
174.10435	3.0
175.11194	25.5
175.14783	3.8
177.09082	4.8
181.10141	5.3
181.12134	3.2
183.11676	10.9
184.08818	1.9
185.13277	4.4
187.11150	3.6
187.14795	3.8
189.12778	5.1
191.14336	2.1
193.10153	2.5
195.11668	3.9
196.12408	4.0
197.13171	2.4
201.12744	9.8
201.16356	3.6
203.14314	14.4
207.11987	2.5
207.13817	9.2
209.13297	2.5
209.15222	3.0
211.14774	4.8
213.12842	3.7
219.13750	4.7
220.12498	2.0
221.13316	2.4
221.15340	61.8
222.15665	2.3
222.60620	1.6
229.15863	4.1
231.13799	4.0
233.15398	2.3
234.16142	16.3
243.13678	1.9
251.17949	2.0
286.19202	3.3
287.19968	8.7
300.20938	4.7
312.20749	2.0
329.20978	5.3
354.90805	1.7
391.26459	4.8
409.18576	2.2
409.27255	38.0
409.38474	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	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01858	2.3
55.05304	1.9
55.05512	22.2
57.07059	9.0
59.04996	3.7
65.03951	2.9
67.05508	25.8
69.03413	6.8
69.07053	9.4
69.61888	3.6
69.62298	12.0
71.04980	2.4
71.08619	2.0
79.05065	2.5
79.05494	24.3
81.06636	3.3
81.07057	33.3
83.04975	3.9
83.08603	4.0
85.06533	3.8
91.05483	37.7
93.07037	42.3
95.04967	52.1
95.08607	39.5
97.06528	6.9
97.25432	2.1
103.05437	3.6
105.07030	100.0
107.05023	2.1
107.08594	30.0
109.06527	14.0
109.10149	15.0
117.07049	11.9
119.08582	61.9
121.06518	16.3
121.10139	15.6
123.08084	18.6
123.11702	5.2
128.06233	5.8
129.06996	9.7
130.07747	4.2
131.08568	18.5
133.06497	5.8
133.10124	21.3
135.08054	13.5
135.11678	8.2
137.09595	9.2
137.13243	2.4
142.07816	10.1
143.08575	10.9
145.06453	2.6
145.10138	41.1
147.08061	16.3
147.11688	37.6
149.09587	14.8
149.13258	2.9
150.91434	2.0
151.07529	18.9
155.08543	8.9
156.09364	4.8
157.10100	16.5
159.08022	5.7
159.11699	16.0
160.08853	3.0
161.09590	11.2
161.13271	3.5
163.11136	6.0
165.09111	31.9
167.08569	3.7
168.09415	2.4
169.10107	8.7
171.08011	2.5
171.11665	9.1
173.09648	5.3
173.13264	8.4
174.10323	2.5
175.11205	28.3
177.09036	3.6
179.08508	4.6
179.10663	2.3
181.10089	4.6
183.11742	10.2
185.13239	5.3
187.11197	2.9
187.14833	5.3
189.12698	7.5
193.10068	3.0
195.11732	3.6
197.13269	7.0
199.11121	4.1
201.12689	9.1
201.16275	2.8
203.14345	15.3
207.11880	2.4
207.13795	7.5
209.15343	3.5
211.14842	4.7
216.14854	2.1
217.19559	2.5
219.13713	5.9
221.13380	3.0
221.15350	64.3
229.15881	4.8
231.13797	3.6
233.15405	4.0
234.16148	14.8
253.15799	2.2
286.19257	3.1
287.20013	6.2
300.20721	5.2
315.20981	2.3
329.21048	5.2
391.26361	2.3
409.18637	2.8
409.27252	38.3
409.38016	8.0
410.27670	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.05515	14.3
55.53302	2.0
57.07076	4.3
59.05007	3.3
65.03941	2.2
67.05506	18.1
69.03426	6.9
69.07072	9.6
71.05004	2.6
71.30490	2.2
71.30825	3.7
79.05499	18.8
81.07059	33.5
83.04986	3.7
83.08598	4.0
85.06565	2.6
91.05483	32.5
93.07050	39.3
95.04977	43.6
95.08604	30.1
97.06533	6.9
102.42328	2.1
103.05464	4.3
105.07034	79.6
107.08596	25.7
109.06504	10.9
109.10148	14.0
117.07014	12.9
119.08583	56.2
121.06506	10.5
121.10130	14.3
123.08051	13.3
123.11719	2.3
125.72015	1.9
128.06203	5.1
129.07019	7.0
130.07768	4.9
131.01282	3.5
131.08568	18.0
132.09380	2.1
133.06523	4.9
133.10143	16.4
135.08089	9.0
135.11699	4.9
137.09639	10.1
137.13177	1.9
141.06999	2.5
142.07803	10.1
143.07620	2.1
143.08549	11.1
145.06517	3.2
145.10118	32.8
147.08047	12.8
147.11690	32.9
149.02322	20.6
149.09608	10.8
150.10428	2.1
151.07533	15.6
155.08577	9.4
156.09355	3.6
157.10144	16.7
159.08051	4.2
159.11707	13.1
160.08890	2.1
161.09628	8.1
161.13252	4.5
163.11259	5.5
165.09120	22.9
167.03418	100.0
167.08626	4.2
168.03746	4.3
168.09340	5.2
169.10056	9.4
171.11736	8.2
172.08879	2.4
173.09689	3.7
173.13278	6.5
175.11201	25.0
177.09138	3.7
179.17810	2.4
181.10170	4.9
182.10976	2.1
183.11740	10.5
185.13284	4.7
187.11218	2.9
189.12770	5.9
191.14325	2.4
195.11752	5.4
196.12529	2.8
197.13297	3.8
199.11226	2.2
201.12776	6.9
203.14355	11.5
207.11749	3.3
207.13840	6.4
209.13281	5.4
209.15268	2.4
211.14807	4.6
213.16348	2.2
215.14276	3.4
219.13823	5.0
221.13358	2.7
221.15355	53.8
229.15878	3.3
231.13855	3.2
233.13301	2.7
233.15465	2.3
234.16090	10.1
253.15919	2.2
273.14984	3.0
281.18811	2.2
285.07605	41.8
287.20178	4.8
300.20966	5.9
329.21320	3.4
331.48114	2.4
391.26303	5.2
393.09683	4.1
394.10385	5.6
395.11539	3.2
407.11063	5.8
408.11829	9.4
409.13171	55.2
409.19751	7.1
409.27234	33.8
409.38065	4.5
410.13770	26.8
410.27997	3.0
427.14175	3.2
428.13873	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52384	0.2
56.96541	0.3
67.05498	0.4
69.03416	0.7
69.07045	0.4
70.06577	0.3
71.21688	0.4
71.22015	0.3
79.05466	0.2
79.24946	0.3
81.03394	0.5
81.07050	0.3
85.02891	0.6
91.05477	0.7
93.07052	0.5
95.04969	0.4
95.08615	0.3
97.06527	0.4
105.07015	0.8
107.08568	0.6
109.06512	0.3
109.10147	0.3
119.08606	0.6
121.06572	0.4
123.11690	0.3
127.03921	0.4
133.10130	0.3
137.05963	0.5
143.05653	0.9
145.10045	0.4
147.04272	0.4
147.11708	0.3
150.57118	0.3
155.08586	0.3
156.40463	0.2
161.09602	0.3
186.30356	0.2
201.42668	0.3
247.13170	0.5
257.04413	0.3
409.18341	100.0
410.18753	2.0
432.67630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2008
Annotation	3'-Geranyl-3,4,2',4'-tetrahydroxychalcone
Peak:m/z	Relative Intensity
53.03933	0.9
55.01850	0.9
55.05512	2.7
57.07029	0.5
59.31811	0.4
65.03938	3.5
67.05497	3.3
69.03424	1.0
69.07063	2.2
73.23651	0.4
73.43366	0.4
79.05494	3.3
81.07046	4.7
83.04973	0.5
88.38821	0.4
91.05481	3.8
93.03391	1.9
93.07033	5.4
95.04957	5.8
95.08597	4.0
97.06540	0.7
105.07025	9.9
107.08585	3.5
109.06498	1.2
109.10171	2.3
115.05312	0.5
117.06996	1.2
119.08566	6.8
121.02846	1.8
121.06506	1.8
121.10172	2.1
123.08074	2.2
123.11710	0.5
126.86244	0.4
128.06255	0.6
129.06978	1.3
130.07828	0.4
131.01244	2.7
131.08554	2.2
133.06538	0.6
133.10158	2.3
135.04364	0.6
135.08046	1.4
135.11644	1.1
135.72658	0.4
137.05972	0.7
137.09583	0.9
142.07770	0.9
143.08536	2.7
144.09320	0.5
145.10117	4.5
146.14464	0.4
147.08029	1.8
147.11676	4.5
149.02327	20.5
149.09639	1.3
151.07559	2.4
153.09058	0.5
155.08510	0.9
156.09343	0.9
157.10126	2.5
159.08081	0.8
159.11646	1.5
161.09535	0.7
161.13211	0.9
163.03865	3.5
165.09149	2.9
165.10281	0.5
167.03389	100.0
167.44002	0.5
168.03712	1.8
169.10126	1.2
171.11708	1.1
173.09639	1.1
173.13240	0.9
175.11180	2.3
177.09154	0.4
181.10153	0.6
183.11652	1.3
183.17665	0.4
189.12698	0.7
197.13245	0.8
201.12839	0.8
201.16156	0.6
203.14290	1.5
207.13837	0.6
211.14752	0.8
217.08575	0.6
221.15353	6.4
229.15836	1.1
231.13860	0.5
234.16154	1.6
267.06598	1.7
273.14832	3.4
285.07562	39.9
286.07870	1.6
287.20007	0.7
299.09030	1.6
393.09711	0.7
395.10721	0.4
408.11798	1.2
409.08411	0.7
409.12900	7.1
409.20047	9.3
409.27170	3.9
410.13525	2.5
410.19867	0.6
427.14093	1.2
428.14960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32225	1.1
55.01865	1.3
55.05273	1.0
55.05514	15.8
56.04987	1.6
56.05825	4.5
56.96574	1.2
57.03423	1.1
58.99585	8.6
60.99161	2.8
61.01144	1.1
63.17964	1.3
67.62113	1.0
67.92061	1.2
70.06595	1.2
71.14539	1.0
71.33607	2.2
71.33942	1.7
73.01142	1.2
76.02232	5.4
76.03981	2.6
78.01786	4.6
81.03382	2.2
81.07034	3.7
82.07389	1.4
83.04965	1.4
83.06084	2.1
83.08151	1.3
83.08620	21.4
84.04511	13.9
84.08147	1.7
84.08952	8.1
85.02901	1.3
85.04820	4.5
86.99071	7.9
87.99354	2.3
88.02209	1.9
89.82847	1.2
90.01698	1.0
91.05474	2.1
93.06976	1.3
95.04958	1.7
98.09714	2.0
99.10022	1.4
103.38831	1.2
109.26773	1.0
116.01675	25.9
117.02036	9.8
118.01212	4.0
119.04920	2.1
120.08118	1.3
123.04437	8.1
129.06537	2.5
130.05002	3.4
133.58253	1.0
143.05634	6.4
144.01161	8.7
145.01434	5.0
145.02914	1.0
145.06168	1.3
146.00685	1.7
149.05908	1.2
156.10042	1.6
158.08017	2.3
159.08403	10.8
160.08734	9.2
161.07951	1.6
162.02213	42.3
163.02591	17.0
164.01736	4.5
175.03918	1.6
176.09007	1.1
177.05490	1.8
177.09438	1.7
177.11252	1.5
180.10295	1.3
193.04994	1.5
198.07733	1.2
199.08609	1.9
200.09273	1.3
203.03386	1.5
207.06612	1.4
208.09711	3.3
211.08618	4.7
212.09521	1.8
213.10214	2.2
215.11821	1.8
217.09656	2.0
225.06505	1.3
225.10258	3.7
227.08270	1.6
229.09796	1.9
239.08237	5.1
239.11797	4.5
240.09052	1.9
241.09694	4.6
243.07657	1.4
243.11288	6.8
245.04414	2.2
247.05849	1.3
252.91803	1.2
253.09825	5.8
257.04419	3.3
257.09219	2.6
257.12631	2.0
259.10794	4.2
260.11444	3.2
261.10760	6.2
262.08499	1.9
262.11093	26.0
263.11392	22.0
264.10898	2.2
267.07614	2.1
267.11172	4.7
268.08441	5.4
271.10779	24.4
272.11176	1.4
275.10336	2.9
277.11844	3.1
279.13635	3.1
280.14090	7.5
281.09256	1.3
283.05865	3.1
285.09204	1.4
285.12341	3.9
287.05560	8.3
288.05716	1.2
289.11783	1.8
295.10815	3.7
299.05408	2.0
313.08545	1.3
313.11780	5.0
317.11234	2.0
323.10434	7.5
325.06363	1.7
327.13156	1.5
334.15143	11.7
335.12323	2.9
341.11334	12.9
345.14313	2.3
349.13693	1.5
355.12802	2.6
359.12259	2.8
373.13876	13.0
391.07834	1.7
391.14923	17.8
392.15387	2.3
409.10489	16.1
409.15970	100.0
410.10938	1.3
410.16504	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	409.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.4
55.01808	7.1
55.02102	0.9
65.03872	1.8
67.05447	0.6
68.99712	1.4
69.00049	0.4
69.03359	1.1
69.07009	0.4
70.06525	0.4
71.60627	0.5
72.08076	0.4
72.66634	0.3
79.01852	0.3
79.05489	1.7
79.05808	0.5
81.03334	1.3
81.06979	0.5
83.01288	0.7
83.04909	1.0
84.08083	0.7
85.02826	1.8
86.09652	0.3
90.07185	0.3
91.05476	2.8
91.72781	0.3
93.03396	2.1
93.06957	1.0
94.06567	1.8
95.04961	1.6
97.02893	1.7
99.62005	0.3
103.05392	0.9
105.03303	0.8
105.06943	1.2
106.02873	0.3
106.82744	0.4
107.04945	3.1
107.08531	0.4
108.04436	0.6
108.08064	0.6
109.02859	2.3
109.10049	0.4
111.00747	0.5
111.04436	2.2
115.05354	1.3
117.06916	0.6
119.04928	7.7
121.02863	36.9
121.06473	2.8
122.03122	0.7
122.06050	2.5
123.04330	0.8
127.03824	0.4
129.01796	0.5
131.04913	1.8
133.02766	0.9
133.06415	1.2
133.10060	0.3
135.04413	3.0
136.03876	0.7
137.02272	0.6
138.05583	0.3
139.03831	1.0
140.07045	2.5
141.01772	0.5
143.04788	1.1
143.05663	0.9
145.02849	5.7
145.06433	0.4
147.04405	2.6
149.02261	0.7
149.05896	1.3
151.03825	1.3
153.05220	0.3
154.04980	17.2
154.08528	1.2
155.04948	0.8
159.04454	2.3
160.05003	0.6
161.02318	1.5
161.05978	1.7
163.03899	2.2
165.01752	1.5
166.07184	1.0
167.03404	0.6
168.04066	0.7
169.04900	0.4
171.04411	2.2
173.02377	0.7
173.05902	0.7
175.03883	1.9
176.00934	0.5
177.01788	2.0
177.05402	0.7
178.04984	7.3
179.03384	3.6
180.71973	0.3
181.04889	1.0
185.02223	0.7
185.05875	0.6
187.03886	2.6
188.04601	0.7
189.01814	5.0
189.05463	2.6
190.02550	0.7
191.03404	2.6
192.04068	0.6
193.04897	1.2
194.01999	1.0
195.01115	0.5
195.02879	9.2
195.07999	0.6
197.04385	1.5
197.05968	0.6
199.03900	2.5
201.05432	1.1
202.02539	1.4
203.03391	9.1
203.05063	0.4
204.03891	0.7
205.01253	0.4
205.04874	1.3
206.02647	0.5
206.04472	9.6
207.02905	6.6
207.04758	0.8
207.06285	0.6
208.03481	0.7
209.04385	0.7
210.07565	0.7
211.03781	1.2
213.01729	0.9
215.03383	1.1
216.04218	0.4
217.02887	0.6
217.04939	10.0
219.02861	1.6
220.03685	0.8
221.04439	4.4
225.03880	1.4
227.03383	2.7
229.04884	0.6
231.02812	2.1
233.04451	0.9
235.06013	2.0
236.08214	0.4
237.03668	0.4
238.07085	3.8
239.06979	0.9
241.04881	0.5
243.06432	0.9
245.04446	5.3
246.04750	0.5
247.13274	0.4
249.03865	1.0
250.09917	0.4
251.07002	0.8
252.07787	0.4
254.05621	0.8
255.02853	1.3
255.06619	0.3
261.09003	0.6
263.07288	0.6
264.07553	0.3
265.08569	0.7
267.06522	3.5
268.07251	5.3
269.07886	0.8
271.05911	0.6
273.03827	3.6
277.08548	1.5
279.06592	3.6
280.07175	1.2
281.07996	1.7
282.05347	0.7
282.08459	0.5
283.05969	3.0
284.06631	1.3
286.38986	0.3
289.08524	1.4
291.06351	1.3
292.07254	4.9
293.08041	4.2
293.11118	0.3
294.05273	7.0
294.08502	1.0
295.05988	35.7
296.06647	6.1
297.07532	7.1
298.08212	0.8
304.07111	0.5
305.08041	2.8
306.08832	3.7
307.06064	20.1
307.09540	3.5
308.06729	6.1
308.10052	0.4
309.04028	0.7
309.07559	10.2
310.08176	1.4
313.07077	2.1
317.08102	2.6
318.08734	0.7
319.06018	4.3
319.09628	0.5
320.06744	10.8
321.07559	21.8
322.08069	1.8
323.05457	1.2
323.09103	2.0
325.07043	59.6
326.07321	3.6
327.06458	0.4
329.08105	3.0
331.06003	1.1
333.07550	7.9
334.08304	8.4
335.09103	29.4
336.06030	1.7
336.09702	2.1
337.07019	16.5
338.07397	1.4
339.04703	0.7
339.08575	7.8
340.09058	1.0
345.07495	10.0
345.11002	1.0
346.08023	1.0
347.05386	0.5
347.09140	1.3
348.06100	1.6
349.07037	20.6
350.07449	2.0
351.04907	0.4
351.08649	3.3
353.10254	1.3
355.08163	1.0
361.07098	0.9
362.07819	1.8
363.08585	37.7
364.08859	2.8
365.06656	0.6
366.07339	0.5
367.08157	3.4
373.07056	10.3
374.07397	1.0
377.13580	0.5
378.07156	0.6
379.08139	3.3
381.09616	1.5
391.08099	100.0
392.08438	8.6
409.09222	84.0
409.18103	40.1
410.09515	7.7
410.18536	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01873	8.5
55.05491	1.0
56.05019	1.0
61.19798	1.0
64.95391	0.8
65.03934	3.5
66.56500	1.0
67.01872	0.9
67.05498	4.4
68.05026	1.4
68.99797	1.2
69.03417	2.7
69.07072	5.1
70.06596	2.5
70.09329	4.0
72.08153	2.1
73.58179	1.0
79.05483	2.5
80.03886	0.9
80.05006	2.9
81.03405	1.3
83.01366	1.1
83.04942	1.0
84.08131	1.3
85.02905	3.1
86.09711	3.4
91.05494	4.5
93.03398	4.0
93.07034	1.8
94.06566	14.5
95.04967	4.6
96.04503	1.1
97.02885	2.0
103.05446	1.1
105.03401	1.1
105.07017	2.7
105.41702	0.8
107.04940	3.6
108.04464	2.9
108.08166	1.1
109.02882	2.1
109.06503	1.7
110.06065	1.6
110.07140	0.9
111.04460	3.5
112.07588	2.9
115.05450	2.4
117.06994	1.7
119.04937	6.3
120.07302	0.9
120.08123	2.8
121.02869	40.1
121.06493	2.1
122.06030	29.6
123.04461	2.1
127.03902	1.6
130.06505	1.1
131.04915	1.5
133.06529	1.9
135.04448	2.5
136.03934	2.3
136.07591	3.9
137.02344	1.7
137.06052	1.2
139.03934	1.8
140.07065	30.3
143.05687	4.9
145.02896	4.8
147.04411	2.3
149.05942	2.0
151.03926	2.4
154.04990	95.1
154.08606	12.4
159.04431	2.2
161.02322	1.4
161.05945	1.7
163.03925	1.9
164.03999	0.9
165.01930	1.3
171.04416	1.6
173.06023	1.1
175.03923	2.6
176.01137	1.6
177.01814	1.6
177.05540	1.7
178.04990	42.6
179.03471	4.1
183.04353	1.0
185.02293	1.0
187.03931	3.5
189.01808	9.2
189.05490	1.9
191.03445	2.7
193.04991	0.9
194.02141	1.6
195.02913	6.1
196.92561	1.0
197.04549	2.3
199.03859	2.0
201.05482	1.4
202.02577	1.4
203.03389	9.3
205.05107	1.9
206.04472	51.9
207.02895	12.2
207.06505	1.6
208.09764	1.6
210.07678	3.7
211.03946	1.4
215.03561	1.1
217.04982	8.0
219.02924	1.9
221.04510	3.3
222.04022	5.2
222.11215	1.1
224.05507	1.9
225.03976	2.0
227.03406	2.2
231.02835	1.6
233.04472	1.4
235.06064	1.5
236.05608	2.2
238.07079	18.4
243.07928	1.2
244.09853	1.6
245.04471	5.0
247.10918	1.6
247.13376	1.0
253.08569	1.0
257.04486	1.5
267.06384	5.1
268.07339	6.6
269.08109	1.8
273.03931	3.0
275.10165	1.2
277.08737	1.0
279.06555	4.6
280.07288	4.2
281.08066	1.5
282.05029	1.2
283.05988	3.0
284.06619	1.9
285.08804	2.7
287.56592	1.0
289.08408	2.3
291.06439	2.2
292.07333	2.8
293.08029	5.0
293.11209	2.0
294.05273	14.3
294.08499	1.1
295.06003	27.1
296.06699	7.7
297.07556	9.7
300.08710	2.4
305.08160	1.6
306.08865	3.2
307.06046	35.0
307.09592	3.5
308.06827	7.6
309.07614	7.7
313.07553	3.7
317.08127	2.1
318.09686	1.8
319.05844	7.0
320.06720	8.6
321.07559	23.1
322.08292	3.1
323.05487	1.7
325.07053	90.7
326.07281	4.7
327.10059	1.1
331.09357	3.3
332.06738	1.2
333.07477	7.7
334.08289	5.6
335.05237	2.2
335.09100	25.7
336.06277	3.0
336.09750	2.0
337.07010	19.1
339.08658	5.0
345.07449	5.1
345.10904	19.8
347.09286	1.2
349.06927	16.8
349.10318	2.1
350.07706	2.9
351.08725	6.0
361.07050	2.7
362.07605	1.2
363.08521	32.2
364.08875	1.7
365.06638	1.8
367.08014	2.3
371.10922	1.0
373.07004	6.9
377.09433	1.3
377.13510	12.0
379.08102	6.9
381.09897	2.0
391.08078	79.6
392.08472	3.3
409.09259	100.0
409.18213	93.3
410.09634	6.4
410.18463	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01882	1.1
55.05498	1.2
56.05035	1.6
56.96574	2.3
58.99577	0.9
60.99169	1.5
69.03429	0.9
69.07071	1.2
70.06593	1.2
70.33800	1.6
70.34200	1.0
72.08180	1.1
76.02211	0.7
78.01805	2.0
79.05525	0.9
81.03433	1.2
81.07060	2.3
82.07369	1.0
84.04507	4.7
84.08145	1.9
85.02925	2.4
85.04844	1.9
86.09712	0.9
86.18116	0.8
87.06724	0.9
88.98640	1.6
91.05465	1.6
92.05769	0.8
93.07053	1.5
94.06557	0.7
95.04955	0.7
95.08634	1.1
97.02908	0.9
98.09685	0.9
102.05550	1.2
107.04950	0.8
109.02853	1.0
116.01669	1.1
118.01283	2.5
119.04990	0.8
120.08142	1.6
121.02896	2.5
122.06054	0.9
123.04453	1.6
130.05040	1.5
136.07585	1.1
143.05643	5.8
144.04063	1.1
145.02917	0.8
146.00742	0.7
147.04410	2.4
154.05014	3.2
156.10205	1.2
157.10452	1.0
158.08084	1.1
159.06445	0.8
159.08313	1.2
161.02750	0.8
162.02264	1.9
163.02606	0.9
164.01863	2.2
165.02092	1.4
175.03949	1.2
176.09079	0.9
177.05560	1.0
177.09515	0.9
178.05061	1.4
181.04565	0.8
185.04227	31.8
195.03018	1.3
203.05379	1.0
206.04572	2.3
207.02904	1.0
207.06563	1.5
208.09764	1.3
213.04167	0.8
239.02306	1.7
247.05806	25.1
247.10843	1.2
257.03333	0.9
257.09418	0.7
259.11029	1.4
260.11465	2.1
261.10797	5.2
262.11008	10.8
264.73810	0.7
265.06943	1.2
295.06052	2.5
296.06769	1.8
297.07742	1.0
307.06143	0.9
321.07617	0.8
325.07101	13.3
335.09079	1.6
337.07220	0.7
363.08725	1.0
391.08224	2.4
391.15408	1.0
409.11115	100.0
410.11545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96617	2.7
63.76417	0.7
64.77210	0.6
65.04002	0.8
69.03455	0.9
70.06644	0.9
71.58971	0.9
79.02992	0.6
82.21341	0.7
89.03976	2.5
91.35139	0.9
92.95734	0.7
97.02954	0.9
98.97662	2.8
107.04970	1.0
110.26717	0.8
115.75209	1.0
116.17233	0.7
116.98676	2.7
117.03445	3.3
123.04457	5.0
131.00272	0.8
134.99670	1.1
135.04408	9.6
143.05739	1.0
145.02843	6.3
147.04466	1.2
151.03932	1.2
161.02995	1.6
163.03905	27.0
163.05196	1.3
164.04303	1.1
166.07278	1.5
167.07007	1.2
168.07454	1.0
173.01216	1.0
184.89987	0.8
185.02145	6.5
185.03683	0.9
189.00708	0.8
193.04942	1.4
203.03430	2.1
221.02907	1.6
229.03108	4.6
245.04561	2.1
247.04251	100.0
248.04596	2.5
252.97998	1.4
257.04440	3.2
258.05164	0.9
263.04727	0.8
283.05795	1.0
287.05637	5.8
391.06177	2.9
409.07291	41.7
410.08121	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	409.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
56.96571	1.8
65.03967	0.7
68.76669	0.5
69.03436	0.7
70.06601	1.0
71.32848	0.6
71.59599	1.1
77.74734	0.6
79.05491	0.9
80.61507	0.5
83.05001	1.6
85.02891	0.8
85.07694	0.6
89.03939	3.6
97.02881	0.7
97.39714	0.5
98.97589	1.1
107.04961	1.3
111.04430	0.9
114.05549	4.0
116.98566	0.6
117.03379	4.4
119.04922	0.7
120.08079	0.8
121.02855	1.2
121.72712	0.6
123.04402	0.8
135.04424	8.8
142.05000	1.2
143.00157	1.1
143.68961	0.6
145.02823	6.1
149.04601	1.5
161.01241	0.8
163.03915	30.2
164.04237	1.4
166.07249	15.9
169.04985	2.2
170.99542	0.7
174.93748	0.6
177.05417	0.8
185.02116	5.1
201.03831	1.2
215.07104	0.5
216.08755	0.7
219.01738	0.8
221.02948	1.7
229.03186	6.3
234.96935	4.8
235.97052	1.1
237.02768	1.5
244.08237	1.9
247.04260	100.0
248.04521	1.7
252.97931	12.4
253.98233	2.3
257.04684	0.7
266.95798	0.9
275.97015	0.6
276.97519	2.3
277.05200	0.7
295.06979	0.7
302.99518	1.4
326.99445	1.2
330.98938	1.8
345.00528	1.5
363.01291	1.3
391.06522	2.9
409.02673	1.6
409.07343	31.6
409.14835	2.3
410.07617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
55.05517	3.7
57.03429	1.2
61.02927	2.4
61.78395	1.2
65.03938	1.4
67.05500	12.0
68.21189	1.3
69.03423	5.4
69.07062	6.5
69.43118	4.9
69.43552	6.1
71.04989	2.9
71.65354	1.2
79.05484	5.4
81.03416	5.2
81.07056	34.2
83.04980	3.4
83.08617	4.0
83.31713	1.3
85.02899	12.9
85.06512	2.5
86.09728	1.5
91.05477	11.0
93.07060	6.2
95.04972	1.6
95.08597	7.8
96.01287	1.2
96.85399	1.4
97.02879	6.5
97.06516	3.0
98.97574	1.4
99.08118	1.6
105.07028	14.3
106.98850	1.3
107.04883	1.2
107.08622	7.7
109.02874	1.2
109.06502	2.4
117.07050	1.5
119.08593	13.4
121.10133	14.9
123.08063	2.5
123.11713	18.9
127.03919	4.5
127.07565	2.3
131.08566	1.7
133.10150	2.6
137.05946	1.9
137.13274	2.0
138.32330	1.4
145.04948	3.7
147.11685	53.3
148.12045	1.8
148.18858	1.4
151.11186	1.3
157.10121	1.6
162.09138	2.2
165.12749	42.6
167.07037	1.3
175.11102	1.4
180.08701	3.6
181.32555	1.3
183.13826	15.0
188.04465	1.1
190.12265	3.4
193.12227	6.3
199.91928	1.3
204.13776	1.7
211.13286	7.9
229.14342	100.0
229.70313	1.2
230.14774	1.6
244.20729	1.5
246.07857	1.5
272.20062	3.4
282.29630	1.5
334.23709	11.3
361.02213	2.2
362.02585	5.9
380.03735	4.3
408.27469	35.8
411.00360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.2
57.07074	5.1
65.03931	2.6
65.93102	2.1
67.05508	18.2
69.06725	3.3
69.07070	37.0
70.79693	7.1
79.05489	9.6
81.07060	56.8
83.08624	15.3
85.05406	2.2
89.06055	2.7
91.05488	7.8
93.07038	16.0
95.08607	44.2
97.10177	6.8
105.07024	18.6
107.08601	23.8
109.10163	32.8
111.11691	3.2
113.00010	2.5
117.07040	2.4
119.08575	22.2
121.10162	20.4
123.11732	18.3
131.08575	4.9
133.10139	15.2
135.11708	14.9
137.13249	11.4
143.08621	5.9
145.10129	15.3
147.11687	17.7
149.13272	11.8
157.10170	8.2
159.11684	19.6
161.13336	17.5
163.14879	7.1
164.73439	2.8
169.02719	2.6
171.11713	8.5
173.13254	16.3
175.14879	9.2
177.16431	5.7
183.11749	4.2
185.13310	6.8
187.14854	9.9
189.12752	2.5
189.16434	9.5
191.17992	4.1
199.14810	4.4
201.16434	7.1
203.18015	7.9
213.16469	6.9
215.17998	8.5
217.19608	6.5
227.18013	6.0
229.19505	8.2
243.21140	6.3
255.21060	3.7
257.22510	5.2
269.22641	5.9
283.24277	7.2
295.23993	2.7
325.28857	4.6
337.28986	3.9
351.30426	6.0
379.25589	2.5
407.36795	100.0
408.37195	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
61.02925	0.8
69.03423	1.5
69.29733	5.8
70.06593	0.7
71.32845	0.5
73.02908	0.5
78.04700	1.1
79.05462	0.5
81.03420	0.6
84.04488	0.5
85.02915	3.5
86.09658	0.6
91.05477	1.1
93.07034	0.8
95.04969	0.7
97.02901	1.1
103.05478	0.7
105.07008	0.9
107.04949	1.6
109.02857	0.7
119.04948	0.8
119.70276	0.4
121.06539	1.4
123.04455	2.8
124.05247	1.2
127.03900	1.3
133.06516	0.7
139.98935	0.7
143.05624	0.7
145.04878	0.7
149.05968	1.9
152.04756	1.0
158.00063	1.7
160.69768	0.5
163.03944	0.8
166.06256	0.6
167.07045	100.0
168.07364	1.3
181.08577	2.1
193.05067	0.6
193.08586	3.7
207.06538	0.7
211.09691	14.0
229.10689	10.4
232.03729	1.4
246.07634	0.7
257.04562	0.6
261.10855	0.5
287.05374	0.5
287.75912	0.5
388.29291	0.5
409.11310	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
55.13281	0.3
57.03438	5.7
57.07072	7.2
67.05504	2.5
69.07070	2.3
69.31326	1.9
69.31763	2.2
71.08630	5.3
72.01928	0.4
72.99371	0.4
81.07052	3.8
83.08614	1.7
85.10178	2.1
94.98998	0.5
95.08599	4.4
97.10154	0.8
101.39422	0.4
109.10143	2.4
111.11757	0.3
113.00012	97.1
123.11688	0.8
131.01062	1.0
131.08537	0.5
137.13266	0.5
139.01558	0.8
149.02379	2.4
154.02672	0.7
169.02606	100.0
170.02965	0.7
192.95929	0.4
239.23709	0.5
255.48112	0.4
407.36517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05496	10.1
57.07078	6.9
67.05510	24.0
67.18792	2.2
69.07074	40.7
69.61950	7.2
69.62374	10.9
74.46249	2.0
79.05488	12.9
79.19540	2.2
81.07059	71.1
83.08635	13.4
91.05489	8.8
93.07039	24.6
95.08611	59.9
97.10192	5.3
105.07046	19.8
107.08590	32.2
109.10158	41.2
112.99998	3.3
117.07047	5.2
119.08585	25.0
119.22147	2.3
121.10139	22.1
123.11706	18.0
129.07024	3.4
131.08543	7.1
133.10118	16.7
135.11714	22.7
137.13287	12.0
143.08588	5.8
145.10141	19.4
147.11661	15.2
149.13261	13.8
157.10139	11.8
159.11723	16.8
161.13240	15.3
163.14835	11.3
169.02657	3.9
171.11716	5.6
173.13333	14.5
175.14821	12.2
177.16380	10.8
185.13301	4.9
187.14767	15.3
189.16425	11.1
191.17973	3.4
197.13322	3.3
199.14841	7.0
201.16428	9.3
203.17984	8.0
211.14790	2.6
213.16394	5.5
215.18008	10.3
217.19482	3.8
227.17992	9.0
229.19577	8.8
231.20950	2.4
241.19467	4.7
243.21013	4.6
253.19519	2.8
255.21159	4.5
257.22641	8.2
269.22546	5.9
271.24146	2.3
281.22617	3.2
283.24210	8.1
295.24265	2.8
297.25912	4.1
325.28903	6.4
337.28906	3.1
365.32303	2.9
374.57660	2.8
407.36737	100.0
408.37192	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	0.7
61.02930	0.5
67.05502	1.0
69.07080	0.5
69.94965	0.7
69.95378	1.1
72.23732	0.3
79.05501	0.5
81.03433	0.6
81.07059	1.0
83.08596	0.3
91.05499	0.7
93.07034	0.5
95.04953	0.5
95.08607	0.7
97.02866	0.4
98.20855	0.6
105.07048	0.6
107.08582	0.4
109.10126	0.4
119.08601	0.7
121.10160	0.4
126.93316	0.4
131.08632	0.4
133.10117	0.7
143.08621	0.4
145.10162	0.4
241.07504	0.3
259.08563	0.7
267.09103	0.4
285.10214	0.8
321.16782	4.6
333.20099	0.4
349.16800	0.4
367.18445	0.5
407.24069	100.0
408.24213	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05515	4.4
56.96551	9.9
57.07063	1.9
61.02929	5.7
67.05505	8.8
69.03452	2.8
69.07059	5.4
71.04989	2.2
71.08609	1.9
71.60111	2.6
73.02924	2.0
79.05485	7.3
81.03417	3.5
81.07063	9.5
85.02899	3.9
85.37307	1.9
91.05484	7.4
93.07059	7.6
95.04981	3.9
95.08607	6.8
95.25388	2.1
97.02885	2.8
105.07044	5.6
107.08621	5.0
109.02821	3.1
109.06525	1.9
109.10158	4.5
117.07002	2.5
119.08582	6.5
121.10096	2.7
131.08527	3.0
133.10162	3.7
134.99626	2.6
145.10120	2.3
147.11635	2.2
149.57199	1.9
157.60742	2.3
159.11746	2.9
167.57925	1.7
169.04704	2.9
184.04390	2.2
185.04866	1.9
239.44363	1.8
253.92352	1.8
267.08862	4.0
269.10556	3.5
285.10199	7.7
286.10452	3.6
309.16888	2.4
321.16714	100.0
349.16953	2.4
353.19028	2.0
389.22955	2.4
407.23972	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.3
56.96561	3.1
57.03429	0.7
58.20873	0.4
61.02907	1.1
67.05502	2.5
69.03424	1.0
69.07051	1.6
70.06586	0.5
73.02916	0.9
79.05481	1.8
81.03405	1.6
81.07057	3.0
83.04959	0.7
83.08612	0.9
85.02898	1.3
91.03948	0.6
91.05469	1.9
91.89163	0.4
93.07036	1.6
95.04960	1.3
95.08600	1.1
97.02872	1.2
97.06520	0.5
105.07025	1.9
107.04938	0.8
107.08570	1.5
116.98590	0.6
119.08543	1.2
119.54098	0.4
121.10133	1.4
123.08076	0.7
129.06984	0.4
131.08514	0.7
133.10121	1.0
135.07991	0.4
135.11633	0.5
143.08562	0.5
145.10110	1.4
147.11607	0.8
152.38983	0.4
157.10207	0.4
167.03633	0.5
171.11591	0.6
175.11191	0.5
177.05515	0.5
193.12334	0.5
203.05861	0.5
217.07558	0.6
229.07454	0.5
247.08430	0.6
259.08560	2.0
267.08917	0.8
269.10641	1.2
285.09976	2.7
303.11221	1.0
309.16751	0.6
321.16656	3.8
331.15808	0.6
349.16919	1.9
367.17816	0.9
368.18201	0.5
407.24033	100.0
408.24225	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	407.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05515	4.4
56.96551	9.9
57.07063	1.9
61.02929	5.7
67.05505	8.8
69.03452	2.8
69.07059	5.4
71.04989	2.2
71.08609	1.9
71.60111	2.6
73.02924	2.0
79.05485	7.3
81.03417	3.5
81.07063	9.5
85.02899	3.9
85.37307	1.9
91.05484	7.4
93.07059	7.6
95.04981	3.9
95.08607	6.8
95.25388	2.1
97.02885	2.8
105.07044	5.6
107.08621	5.0
109.02821	3.1
109.06525	1.9
109.10158	4.5
117.07002	2.5
119.08582	6.5
121.10096	2.7
131.08527	3.0
133.10162	3.7
134.99626	2.6
145.10120	2.3
147.11635	2.2
149.57199	1.9
157.60742	2.3
159.11746	2.9
167.57925	1.7
169.04704	2.9
184.04390	2.2
185.04866	1.9
239.44363	1.8
253.92352	1.8
267.08862	4.0
269.10556	3.5
285.10199	7.7
286.10452	3.6
309.16888	2.4
321.16714	100.0
349.16953	2.4
353.19028	2.0
389.22955	2.4
407.23972	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.9
56.96574	2.9
57.03424	1.8
57.07071	1.6
61.02919	1.8
67.05500	3.1
69.03423	1.1
69.07061	2.4
70.06598	4.1
71.04985	0.6
71.60785	1.1
72.08166	0.6
73.02894	0.7
76.82080	0.5
78.97483	0.5
79.05482	2.8
81.03417	2.1
81.07082	3.2
83.04997	0.7
85.02905	2.3
85.94308	0.5
86.09679	1.2
88.07614	0.8
91.03953	1.4
91.05485	3.3
93.07047	2.0
94.88472	0.5
95.04982	0.7
95.08590	1.7
97.02892	1.7
97.06554	0.7
98.09646	0.5
98.97625	0.8
105.07040	1.3
107.08585	1.7
108.79168	0.5
109.06512	0.6
109.10152	0.9
114.09124	0.7
116.98615	0.9
119.08572	1.2
121.10176	0.8
125.09619	0.6
127.03914	1.1
131.08568	1.2
132.10191	0.7
133.10138	1.2
145.10127	1.1
146.11720	0.9
147.04385	1.0
153.78717	0.6
159.11678	0.6
167.03430	3.5
193.12296	1.0
193.60820	0.5
197.13237	0.6
202.26126	0.6
207.23953	0.6
219.06647	1.0
241.07460	0.7
243.09012	0.6
244.09534	0.7
255.09010	0.6
259.08633	1.1
267.09052	2.1
267.15891	0.7
269.08081	0.9
269.10556	1.6
284.12762	1.0
285.10040	4.3
287.11670	1.2
295.15170	0.8
300.28934	2.1
301.09610	0.9
301.29269	7.4
303.11194	1.8
309.16736	1.5
344.31805	1.0
345.31955	3.0
349.16925	2.2
367.17828	1.5
406.35260	1.4
407.24042	100.0
407.35541	23.6
408.24329	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	407.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.5
54.27647	0.3
55.01856	0.3
55.05522	0.3
56.96561	0.9
57.07070	0.5
61.98833	0.3
65.03938	3.2
67.05489	1.3
69.07056	0.8
69.78128	1.9
79.05473	0.8
81.03381	0.5
81.07034	1.7
85.02924	0.3
88.74236	0.3
91.05473	0.7
93.03405	2.3
93.07043	1.5
95.01321	0.5
95.04996	0.4
95.05633	0.3
97.02882	0.4
98.20673	0.3
104.49410	0.3
105.07040	0.4
107.08556	0.5
109.10146	1.4
116.98613	0.3
119.08582	0.4
121.02847	2.8
123.11703	0.4
131.01283	4.0
134.19826	0.3
135.11710	0.8
137.05974	0.7
145.02776	0.4
145.10188	0.5
149.02341	40.0
150.02728	0.4
163.03899	2.4
167.03400	100.0
168.03726	1.4
177.05434	0.4
189.05429	1.0
191.07059	1.3
203.07089	1.8
215.07079	1.7
233.56830	0.3
267.06470	2.1
271.13324	3.2
285.07574	47.7
286.07928	1.1
301.09381	0.3
325.10733	1.9
327.12311	0.7
339.12350	1.0
343.11768	0.3
351.12213	0.9
367.18155	0.4
376.25772	1.0
400.28262	0.4
407.18665	4.6
407.23700	0.6
408.18958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
55.05510	1.4
56.96568	7.6
57.03426	2.5
59.62930	0.8
61.02934	4.4
65.73537	0.6
67.05504	4.5
69.03416	2.4
69.07069	4.4
69.69233	4.7
73.02904	2.3
77.00891	0.7
78.41199	0.7
79.05505	3.4
81.03424	4.6
81.07056	5.7
83.04950	1.3
83.08608	1.9
85.02921	4.2
91.03947	2.2
91.05491	4.0
93.03489	0.7
93.07066	4.6
95.04987	1.6
95.08598	3.6
97.02885	3.8
97.06538	1.2
98.97586	1.4
99.08121	0.9
101.02362	1.5
102.48960	0.7
105.07027	3.5
107.08572	2.3
109.06504	0.6
109.10201	1.8
111.08067	1.2
116.98631	1.1
117.06969	1.2
119.08582	2.8
121.10137	2.9
122.65401	0.8
127.03949	1.3
128.98615	0.7
131.08571	1.7
133.10132	2.1
135.08118	0.8
135.11703	1.1
139.11214	0.9
143.08568	1.0
145.10152	1.1
146.99623	0.9
147.11664	1.5
149.09602	1.7
157.10056	1.1
158.99736	0.9
159.11737	1.0
161.01321	0.7
165.32999	0.8
167.03464	0.9
169.10194	0.8
175.11189	1.1
185.04797	0.8
189.04453	1.0
193.12247	1.2
195.13898	0.8
199.06425	1.6
203.05856	1.3
211.06346	0.9
217.07494	3.3
229.07533	1.0
231.09161	1.1
241.07484	3.2
243.08908	1.5
255.09010	2.4
259.08517	7.2
259.12662	1.0
267.09042	5.4
267.15979	1.4
269.10574	4.7
271.14026	1.1
273.10086	2.4
277.09665	1.6
281.10904	0.8
285.10098	11.1
286.10413	1.0
287.11649	2.9
303.11127	3.1
304.11697	1.0
308.11624	1.7
309.16565	1.1
331.15723	1.2
349.16785	5.8
350.17194	0.8
367.17856	5.0
381.58466	0.8
407.24039	100.0
408.24496	2.8
429.20898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
53.21503	1.2
55.05502	3.2
57.03440	3.0
57.07079	1.5
61.02927	1.8
61.88240	1.3
67.05505	2.2
69.03430	7.8
69.07061	2.3
70.25317	3.7
71.04987	4.4
71.08640	1.5
73.02912	1.0
79.05515	2.9
81.03413	5.9
81.07066	5.9
83.04987	5.1
83.08639	1.8
85.02911	10.6
85.06541	2.0
88.62450	1.2
89.06040	3.2
91.05466	1.3
93.07069	3.8
95.08611	5.4
97.02892	3.4
97.06516	2.0
98.21453	1.2
99.04496	1.4
99.21973	1.1
105.07030	7.0
107.08598	12.6
109.02890	3.4
109.06499	1.7
109.10172	9.5
110.40598	1.1
111.08087	1.8
119.08601	4.9
121.10150	81.5
123.08065	2.1
123.11736	4.2
125.09639	1.4
127.03922	5.2
127.07544	1.7
131.08580	3.4
133.10112	6.8
135.08054	3.6
135.11688	4.4
137.09657	5.1
139.11151	5.6
141.09081	1.3
143.05650	4.4
143.10716	1.2
145.04968	1.8
145.10120	1.7
147.11682	8.0
149.13284	6.7
151.11189	6.2
158.10857	1.5
163.14868	5.9
165.12935	1.3
167.07095	2.4
169.12245	4.1
173.13272	12.6
191.08168	4.7
191.14310	38.2
209.15379	28.9
209.17375	2.2
227.16429	100.0
228.16798	3.1
231.05057	2.0
307.12927	2.5
325.14001	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	407.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.6
55.01877	2.5
55.05512	3.2
57.03429	7.4
57.07073	1.6
57.24089	0.9
59.05008	2.8
61.02928	1.6
67.05495	2.2
68.99799	2.5
69.03431	51.1
69.07077	2.1
70.06600	4.0
71.04993	27.7
71.05375	2.1
71.08635	13.7
72.08161	4.1
73.02924	1.0
73.06564	1.9
79.05485	10.4
81.03423	56.1
81.07060	46.8
82.07401	1.5
83.04980	7.1
83.08628	0.9
84.04530	1.2
84.08150	3.8
85.02908	42.4
85.06546	12.7
86.09711	6.0
87.00829	13.9
91.05489	2.0
93.07037	1.9
95.04981	1.7
97.02890	21.3
97.06525	2.0
98.97598	1.1
99.04465	18.6
99.08089	11.6
101.37199	1.0
102.15681	0.9
103.03969	2.1
105.01888	5.0
105.07023	1.4
107.04933	1.6
107.08610	1.9
109.02884	47.7
109.06519	33.7
111.04430	2.5
113.09660	3.2
114.03896	0.9
115.07577	4.6
117.09130	7.2
120.08135	1.3
121.06549	1.1
122.06053	1.2
123.04457	1.6
125.02375	3.2
125.36520	1.0
127.03920	100.0
127.07568	4.8
129.09183	0.9
129.10182	1.0
131.08588	1.0
132.10152	1.3
133.06578	1.0
135.08011	1.2
136.07576	1.4
137.05992	2.1
140.07022	1.1
141.05472	1.0
141.09116	45.2
143.05634	9.8
145.04993	3.2
145.08592	15.0
147.04410	1.0
151.03943	1.0
153.01895	1.6
153.09134	1.2
157.08617	2.8
159.10136	6.4
167.07048	11.6
168.07428	3.6
169.02521	1.0
169.07634	1.6
173.11754	1.9
175.30884	1.0
183.10181	1.3
187.09676	19.7
193.08482	1.1
194.58275	1.1
195.10196	1.0
207.10065	1.5
213.03969	4.7
213.11290	1.1
215.07076	4.3
225.11237	3.3
231.05019	19.6
240.03246	1.3
240.83833	1.0
243.12273	7.1
265.09689	1.1
267.12210	2.7
269.09030	1.2
272.01114	1.1
285.13284	1.9
287.05396	1.2
311.11108	2.0
313.11542	1.0
329.12137	1.6
357.10904	2.0
371.13303	3.8
375.11978	1.7
389.14383	6.1
407.16971	10.4
429.33847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01853	1.4
55.05505	4.3
56.05019	1.6
57.03430	1.8
59.05005	3.3
61.02938	1.8
65.03959	2.2
67.05494	5.4
69.03429	6.8
69.07077	8.0
69.64145	6.4
69.64548	2.6
70.06599	5.7
71.01348	1.1
71.05004	2.5
72.08147	1.3
79.05500	26.8
81.03406	3.6
81.07061	37.0
82.06592	1.4
83.04983	2.1
83.08622	2.9
84.04518	2.5
84.08160	2.5
85.02890	10.2
85.06562	1.7
86.09707	2.5
91.03979	1.4
91.05487	12.0
93.07043	15.8
95.04949	2.3
95.08609	14.5
97.02888	5.5
97.06528	7.1
98.97544	1.8
100.11229	2.2
105.07038	10.6
106.07368	1.4
107.04964	3.3
107.08602	100.0
108.08952	1.8
109.02877	2.9
109.06523	4.1
109.10153	3.8
115.07595	3.0
117.06986	1.7
119.04926	1.7
119.08588	8.8
120.08118	1.7
121.09320	2.4
121.10149	27.9
122.06017	1.3
123.04377	1.8
123.07971	2.8
124.36127	1.2
125.05997	1.3
127.03915	2.8
130.06509	1.6
131.08546	3.7
133.10127	4.2
135.08055	1.9
135.11688	9.4
137.05995	4.1
137.09561	1.2
138.06367	1.3
139.11182	1.2
143.05635	3.7
145.04950	1.6
145.10149	2.1
147.04413	2.4
147.11656	3.0
149.13237	5.6
151.03876	1.5
157.06898	1.4
159.09204	1.5
161.13278	12.8
163.07506	1.6
163.14825	13.9
167.07082	9.6
168.07365	1.9
173.13220	5.3
175.14853	2.5
177.05429	2.6
177.12762	3.7
179.14325	70.1
181.04979	1.6
182.15407	1.9
191.14317	35.6
193.15900	6.6
199.18248	1.2
205.15913	1.9
206.08771	1.2
209.15352	36.1
210.14868	2.4
226.08488	1.3
233.15378	2.1
243.17160	2.0
245.15198	1.7
256.07291	1.7
259.11154	4.5
283.61542	1.2
299.16483	1.8
317.04913	2.1
317.17340	2.5
335.18597	2.4
353.19519	5.5
361.13980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.5
56.05034	8.0
57.03434	7.1
58.99587	8.9
66.02558	1.9
67.05507	6.4
67.87630	2.3
68.05029	1.8
69.03433	2.5
69.07069	3.0
69.43517	11.7
69.43932	4.1
70.06619	2.2
71.05003	6.6
76.02224	21.2
79.05472	11.0
81.03416	6.8
81.07066	21.3
82.20815	1.9
83.05003	2.6
84.04507	27.7
84.08162	2.4
85.01140	3.6
85.02929	11.2
85.06547	32.5
86.00662	3.6
86.99065	6.0
87.02694	6.2
91.05479	6.2
93.07051	9.9
94.06576	2.5
95.04984	3.9
95.08620	4.5
97.02910	2.4
97.06514	2.1
98.06129	2.0
98.09700	9.2
99.08099	5.9
102.05566	6.3
105.07018	9.4
107.04939	3.4
107.08612	7.8
111.04478	2.7
112.03952	5.2
113.04224	5.8
115.05811	2.9
116.01680	18.6
117.07027	2.2
119.08567	7.0
121.06504	3.7
121.10175	7.3
127.03931	3.3
129.06619	3.3
130.05006	8.4
130.06874	5.1
131.08569	19.9
134.32701	2.0
144.01122	8.8
145.10104	10.2
149.09627	22.5
156.08420	17.7
156.10205	9.0
156.94704	2.1
157.06851	8.8
162.02213	23.3
163.11195	6.3
165.09122	5.9
167.07088	2.8
167.10706	12.5
174.09541	13.1
179.04831	11.0
186.39764	1.9
191.10709	25.3
193.12285	5.2
209.11758	30.2
210.11417	2.6
216.06976	7.7
227.12787	46.9
255.03131	2.0
259.11133	100.0
313.12091	4.0
331.13300	7.4
388.23306	8.7
406.20148	4.3
407.07913	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
53.97976	2.3
55.01868	8.9
55.05514	3.0
56.05042	3.3
56.96564	8.4
57.03440	4.8
58.98668	2.8
61.02923	9.4
68.99774	5.6
69.03432	32.1
69.07074	3.6
70.06590	6.5
71.04977	6.7
71.59499	4.1
72.08149	3.9
73.02918	6.5
81.03422	28.0
81.07044	4.0
84.04501	7.1
84.08144	3.9
85.02906	100.0
86.09690	4.0
87.00840	28.4
89.03883	3.1
91.03932	3.0
93.07056	3.5
95.04971	3.1
97.02889	32.5
98.09671	3.7
98.97577	3.5
99.04462	10.1
103.03934	6.1
105.01868	26.7
105.08109	2.6
108.04478	3.9
109.02881	83.5
109.22294	2.8
111.04411	4.5
115.05417	3.1
116.98624	4.1
117.03345	3.8
119.04975	4.3
123.04455	5.8
127.03924	60.5
130.82556	2.8
131.04953	2.8
133.02847	5.3
135.04396	11.6
141.05472	33.6
143.05640	21.4
145.02823	6.1
145.04961	30.5
146.99709	3.5
147.02957	6.6
147.04419	8.7
149.06020	3.2
151.03947	3.8
153.05508	2.9
155.01633	5.9
156.79315	2.8
159.02861	17.9
161.01178	5.6
161.05988	2.8
163.03867	19.7
165.05444	13.9
165.59929	3.1
165.61348	3.1
167.07019	4.2
177.05482	7.7
189.04013	8.6
207.06519	16.4
231.04898	8.0
231.06859	5.0
231.14497	3.2
237.00632	3.9
237.02840	3.6
249.07654	17.6
259.11188	11.9
293.94061	2.7
304.57718	2.9
406.17920	3.6
417.20798	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24925	0.5
54.96056	0.6
55.01860	1.7
55.05504	1.0
56.05040	3.2
57.03437	3.5
58.99582	7.1
58.99896	0.7
60.47158	0.6
68.05029	1.3
69.07057	1.3
69.79324	3.2
72.08154	0.6
73.01118	1.0
74.00653	0.9
76.02226	14.7
76.03986	1.2
78.04261	0.5
78.66733	0.5
79.05508	3.0
80.05019	0.6
80.77569	0.5
81.06591	0.9
81.07059	13.9
83.06129	1.2
83.84354	0.5
84.04507	17.1
85.01126	2.2
86.00669	3.1
86.99054	3.9
87.02689	4.0
88.02197	1.4
93.07046	0.7
95.08598	2.3
96.08094	0.5
97.01114	0.6
97.06525	1.5
98.09103	0.7
98.09692	8.7
99.08088	4.6
102.05547	4.7
105.07052	1.3
110.09677	1.6
112.03972	3.1
113.04221	4.0
114.03715	0.8
115.05786	1.0
116.01680	15.6
122.09657	1.3
123.08066	0.8
123.10440	0.5
127.05739	0.8
129.06601	2.5
130.05002	6.7
130.06844	2.9
130.08641	1.2
130.87700	0.5
131.08591	0.6
139.05743	1.3
142.03201	1.6
142.04948	0.9
144.01155	5.8
145.06003	1.2
156.08424	17.3
156.10182	7.5
157.06828	8.4
157.08760	0.6
161.46648	0.6
162.02203	20.1
167.07065	1.0
170.02776	0.8
174.09480	14.7
179.04861	9.1
181.06096	0.6
189.03313	1.2
209.11766	1.3
210.11255	2.1
215.04834	1.2
216.06883	6.0
233.05890	2.5
242.08467	1.0
245.06006	0.6
259.11121	100.0
260.09125	1.1
260.11725	2.6
277.12146	1.4
279.12054	0.7
285.12671	1.3
308.08966	1.0
313.12042	3.6
331.13254	5.4
388.15393	1.9
406.16504	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3517
Annotation	4,4'-Diapo-zeta-carotene
Peak:m/z	Relative Intensity
55.05506	4.7
55.32664	1.2
57.07050	1.9
57.86325	1.6
63.46311	1.4
67.05501	9.8
69.07067	11.9
69.38968	11.7
79.05496	6.8
81.07059	22.6
83.08616	4.6
85.77910	1.2
91.05482	7.3
93.07043	14.2
95.08609	29.7
97.10182	2.9
105.07037	13.7
107.08592	15.6
109.10163	12.3
111.11714	5.1
115.05463	1.4
117.07014	3.6
119.08581	12.6
121.10146	11.2
123.11734	8.1
129.07033	2.5
131.08612	8.0
133.10118	14.0
133.18256	1.2
135.11700	6.0
137.13271	4.8
143.08565	4.3
145.10114	8.5
147.11667	8.4
149.13254	8.0
157.10135	6.3
159.11713	11.2
161.13306	9.3
163.14865	5.4
169.10205	1.5
171.11743	4.3
173.13278	9.9
175.14864	13.2
177.16417	4.7
183.11667	2.2
185.13440	2.9
187.14822	12.8
189.16434	3.9
197.13162	1.6
199.14897	3.5
201.16394	4.2
203.17984	2.8
211.14888	1.7
213.16417	5.1
215.17986	7.6
217.19537	4.6
225.16379	2.5
227.17940	4.3
229.19508	9.1
239.17900	2.4
241.19531	4.8
242.26616	1.4
243.21147	3.5
253.19484	2.1
255.21083	1.8
267.21152	6.6
269.22656	2.8
281.22684	6.9
295.24243	3.8
298.44937	1.5
309.25677	3.7
335.27365	2.4
349.28714	1.7
405.35181	100.0
406.35480	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	405.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.4
55.05262	0.9
55.05507	11.1
57.03435	6.1
57.07072	3.4
67.05505	6.4
67.35349	0.6
69.06715	1.0
69.07066	12.6
70.73820	2.1
71.08616	2.3
72.71685	0.6
79.05495	4.5
81.07047	7.1
83.04968	0.6
83.08617	10.0
85.02938	0.9
85.10177	0.9
93.07047	4.5
95.08604	5.7
97.06509	2.2
97.10180	7.8
105.07039	1.3
107.08591	2.6
109.10153	2.4
111.08059	1.3
111.11697	1.8
113.00014	100.0
121.10129	5.5
123.11727	1.4
131.01041	2.0
133.10088	1.2
135.11668	4.0
137.13245	1.1
139.01566	1.0
147.11685	0.7
159.11681	0.8
161.13182	0.7
161.66957	0.7
169.02611	99.3
170.03024	0.9
219.21088	1.9
237.22141	8.2
239.52115	0.6
405.26505	1.0
405.34961	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1906
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
53.03939	0.8
55.01863	0.3
55.05505	0.5
56.96556	0.5
57.03429	0.7
57.82132	0.3
65.03937	0.7
67.01854	0.3
67.05496	1.2
69.03415	1.3
69.07047	0.4
70.06577	0.8
71.04974	0.5
71.60699	0.6
72.08150	0.9
76.02193	0.3
77.03915	0.5
78.04708	4.2
78.40596	0.3
79.05494	4.7
81.03406	1.2
81.07065	1.5
83.04980	0.5
84.08140	0.7
85.02910	1.6
86.09702	0.9
91.02626	0.3
91.05479	3.1
93.07076	1.5
94.04148	0.4
95.04964	2.3
95.08589	1.0
96.05756	0.3
97.02872	0.9
97.06544	0.7
99.04426	0.5
103.05465	6.8
105.03388	0.4
105.04533	0.4
105.07024	6.8
106.04181	2.2
107.04950	7.3
107.08570	0.4
109.02859	1.1
109.06522	1.3
109.10184	0.3
111.04442	0.4
111.08098	0.5
115.05452	2.7
116.98627	0.4
117.07018	1.4
118.04147	0.7
119.04911	1.3
119.08561	0.6
120.08101	0.4
121.06510	2.7
121.10126	0.4
122.03623	0.6
123.04424	8.6
123.08055	0.9
124.05211	3.6
125.05976	1.4
127.03895	1.1
128.06232	0.4
129.06995	1.2
131.04024	0.6
131.04930	7.4
131.08543	0.5
133.06496	7.1
133.10191	0.4
134.03624	0.6
134.78137	0.3
135.04425	0.5
135.08076	1.7
136.05206	0.4
136.07646	0.4
137.02344	0.4
137.05980	5.5
137.09576	0.6
139.07544	1.1
141.06972	0.9
143.05731	0.9
143.08524	0.5
144.05710	0.8
145.06482	2.9
147.04390	2.6
147.08041	0.6
147.11655	0.3
148.05124	0.3
149.01215	0.5
149.06020	1.5
149.49362	0.3
151.03909	2.5
151.07541	4.0
152.04665	2.7
153.05449	1.0
156.05673	0.5
157.06531	0.8
158.07289	0.5
159.08057	1.3
160.05193	0.8
161.05989	7.5
163.07552	13.5
163.11174	0.3
165.05487	0.4
165.09088	0.6
166.06206	0.4
167.07040	100.0
168.07367	2.1
171.07913	0.3
172.05190	0.5
173.06017	0.9
174.06639	0.4
175.07530	2.0
177.05476	0.8
177.09109	2.0
179.07033	3.0
181.04930	2.9
181.08606	3.7
181.12233	5.0
187.07483	1.8
189.09085	0.4
191.07050	0.9
192.07768	0.5
193.08606	16.8
195.10034	0.4
199.07585	0.3
201.09071	1.2
203.08652	0.8
205.08636	1.4
207.06509	0.4
207.10255	0.6
207.13829	1.2
217.08588	0.7
218.26749	0.3
219.10144	1.6
220.08760	0.6
225.14822	2.1
231.07971	0.7
233.08066	0.8
233.11754	1.4
237.11229	1.0
243.15930	0.7
248.08348	0.6
259.11075	0.8
260.12970	0.6
263.10657	0.9
271.00592	0.6
273.12399	0.5
287.05487	0.5
291.10202	1.0
295.13266	1.0
316.03586	0.4
317.01141	1.4
323.12756	2.0
324.13034	0.4
334.16415	0.5
342.05084	0.4
355.15430	3.3
387.14142	0.6
387.18423	0.8
405.19952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52644	0.2
56.96557	0.4
57.03436	0.3
69.03445	1.1
69.79136	0.5
69.79556	0.9
71.04994	0.3
74.06012	0.2
74.09106	0.2
81.03410	0.9
81.46874	0.2
83.02444	0.3
83.04962	0.7
85.02906	2.3
86.09691	0.3
87.06721	3.9
97.02895	0.9
99.04441	0.5
101.02390	0.3
109.02873	0.6
119.03417	0.5
127.03946	0.6
141.04051	0.7
141.05479	0.4
143.05641	100.0
144.04092	0.5
144.05995	0.8
144.42252	0.3
145.04953	0.4
163.03871	0.5
164.04170	0.2
165.05510	0.2
169.04959	1.0
190.07831	0.2
239.25832	0.3
305.11014	0.4
373.09952	0.4
387.14731	0.3
405.12292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
57.03437	0.2
69.03424	0.6
70.71971	0.3
70.72358	0.3
73.04035	0.2
79.01630	0.1
81.03404	0.7
83.04963	0.5
85.02890	0.9
87.06711	3.6
92.03693	0.1
97.02888	0.7
101.02346	0.2
109.02873	0.6
113.04591	0.2
119.03398	0.7
122.97966	0.1
123.04433	0.2
126.02985	0.3
127.03900	0.6
136.38097	0.1
141.04051	0.8
142.04884	0.3
143.05635	100.0
144.06053	0.3
145.05000	0.2
169.04965	0.2
173.04582	0.2
185.06639	0.3
188.88655	0.2
222.35144	0.2
257.72989	0.2
275.98819	0.2
305.10904	0.9
373.09769	0.3
392.96570	0.2
405.12170	1.6
405.17157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	15.2
59.67970	0.5
67.05482	0.6
69.81689	3.7
71.95249	1.5
79.05499	0.9
81.07039	1.1
91.05450	1.4
94.04175	1.8
95.04932	0.7
98.20784	1.1
98.97577	47.6
99.97942	0.5
116.98614	59.3
118.32085	0.6
122.03646	4.5
134.99654	47.4
137.05968	44.1
138.06285	1.1
139.38557	0.6
140.00175	2.5
151.94107	0.6
153.00696	9.3
158.01268	4.2
160.52748	0.5
164.46382	0.6
168.07474	0.7
176.02258	0.9
197.01210	2.5
198.01991	0.8
208.10112	0.8
211.02747	1.6
215.02391	1.1
220.00449	2.5
224.09671	1.4
226.11122	13.7
235.02756	41.2
238.01437	2.8
241.03761	1.6
241.11798	0.6
242.10669	2.2
244.12219	10.6
253.03825	100.0
254.04088	2.4
255.08952	0.7
267.13876	1.4
268.12140	4.0
271.04874	6.8
276.05444	10.7
280.12152	1.6
286.13254	1.0
298.13007	0.9
329.13113	1.3
344.15485	5.2
362.16525	2.7
404.17413	65.9
405.17566	2.8
405.22626	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
56.96555	1.2
57.03452	1.2
65.77442	1.0
67.05510	2.3
69.03422	3.1
70.06598	1.6
71.04995	1.5
77.15750	1.0
79.05495	1.7
79.25432	0.9
81.03427	1.3
81.07056	2.1
83.04974	2.8
85.02907	6.2
86.09725	1.5
91.05518	1.2
93.07018	2.9
95.04955	2.3
95.08610	3.0
97.02890	2.6
97.06528	1.7
98.97572	1.4
105.07020	1.8
106.65645	1.0
107.04954	1.3
107.08610	1.2
109.02875	1.6
109.06503	1.8
109.24683	1.0
111.04469	1.0
111.08117	1.1
114.51962	0.8
119.04973	1.2
119.08601	1.9
121.06541	1.9
121.10155	6.3
123.08070	100.0
124.08432	3.6
127.03944	2.1
133.06474	0.9
133.10120	1.0
137.05960	3.1
137.09622	1.4
137.16620	1.1
143.05630	3.1
147.11685	1.1
149.09697	2.1
151.11215	5.6
155.59862	0.9
163.11212	1.9
167.07065	3.2
167.10681	2.8
177.05630	1.2
181.05002	1.5
181.12201	7.2
189.12712	1.3
207.13828	5.1
219.07697	1.0
225.14882	17.1
252.09418	2.1
271.06003	1.3
299.10199	1.6
309.08667	1.1
327.09738	2.1
345.10876	3.6
369.84940	1.1
373.10349	3.6
404.14676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45889	1.3
53.03946	1.3
55.01844	2.3
56.05015	1.4
56.64422	1.2
57.03423	2.5
58.99584	18.4
67.05504	1.8
69.03417	2.2
69.07054	4.4
69.95320	6.3
70.06580	1.3
72.65094	1.5
75.84436	1.1
76.02225	100.0
76.03997	4.9
78.40641	1.2
79.05505	10.6
80.04977	1.5
81.03411	2.5
82.17404	1.2
83.06090	1.5
84.04506	35.0
84.08140	1.8
85.02878	2.7
85.87045	1.1
86.06096	1.2
86.09689	2.4
86.99046	5.4
95.04970	1.5
97.02895	2.7
97.06529	94.8
100.14468	1.2
114.63686	1.3
116.01678	24.3
116.98588	1.5
123.04388	2.5
124.02364	1.2
125.02399	2.9
129.05481	1.6
130.05017	19.2
133.51671	1.1
134.09656	2.5
135.04378	2.8
135.09993	1.4
139.03851	2.1
142.03226	10.5
143.05663	5.3
144.01155	10.7
145.02852	1.8
147.04427	2.7
162.02209	45.6
163.03871	5.9
170.02702	4.8
170.05811	1.6
179.04855	74.7
187.05351	2.7
197.12798	1.6
207.06435	1.3
208.09673	1.4
215.04892	2.2
219.01820	1.3
233.05901	21.2
242.15681	1.5
245.05891	5.1
290.07962	1.9
291.06464	4.0
308.09085	25.9
383.00769	1.3
404.15317	19.5
408.42126	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14273	0.3
55.88939	0.4
56.96554	0.7
67.05495	0.6
69.03423	0.7
70.06610	0.5
70.48352	1.2
76.02219	0.5
83.04984	0.5
84.04504	0.6
85.02912	1.3
86.09700	0.6
87.06736	0.6
89.03922	1.0
95.04959	0.7
95.95918	0.4
97.02864	0.4
98.97594	0.6
107.04932	0.6
111.04440	1.2
112.03759	0.7
117.03365	0.9
123.04411	2.2
123.98300	0.4
129.05479	0.4
135.04420	1.3
139.03957	0.6
143.05652	10.0
145.02831	0.7
149.02420	0.5
149.06572	0.7
150.03111	0.5
153.05334	0.6
163.03896	6.7
164.04253	0.7
167.07043	0.7
202.09319	0.7
204.05699	0.5
220.10385	1.1
221.05087	0.9
224.09058	1.0
237.02750	0.7
242.09991	5.3
275.09824	1.4
287.11047	9.7
305.10794	1.2
321.08713	0.5
333.11520	2.0
376.14505	0.6
404.15274	100.0
405.15469	0.7
420.12006	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.3
55.05482	0.8
56.96541	0.3
57.03418	0.5
60.05639	2.2
69.03385	0.8
69.73061	1.8
70.06553	0.7
71.04957	0.4
72.08151	2.1
79.05438	0.6
81.03393	0.5
81.07029	0.7
82.06528	0.4
83.04936	0.3
84.04469	0.4
84.08134	0.6
85.02907	1.9
86.03520	0.6
86.09711	1.9
87.06673	0.7
88.05109	0.3
89.03893	0.4
89.39290	0.2
91.05482	1.4
92.05746	0.3
95.04914	0.5
97.02837	0.7
98.21485	0.5
98.97568	0.6
99.04462	0.3
99.09179	0.9
107.04887	0.4
109.02866	0.4
110.05992	0.8
113.04631	0.4
114.03017	1.8
116.04606	1.3
116.07056	0.4
117.03350	0.7
119.04897	0.5
121.02850	0.3
123.04385	0.7
125.05964	0.2
127.03894	0.6
127.05019	0.4
127.06119	0.7
127.08656	1.3
129.10185	0.3
134.99623	0.3
135.04437	1.3
137.05960	0.4
138.05519	0.4
141.04070	1.3
142.04854	2.7
143.05644	20.1
145.02811	1.2
147.04407	1.0
151.03838	0.3
153.04031	0.3
155.05637	9.5
155.06963	0.5
155.08151	1.9
156.10223	0.2
163.03914	4.9
167.07008	0.4
168.06462	0.5
169.07178	1.6
175.03914	0.7
177.00630	0.3
177.05486	0.8
178.05922	0.4
179.03404	0.4
180.07690	0.3
181.05002	0.4
197.10336	100.0
198.10709	2.5
207.06450	1.4
223.11833	2.3
225.07605	0.5
241.12955	42.8
242.13300	1.5
252.10135	0.3
359.15704	2.9
387.03458	0.3
403.18369	14.3
404.18600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
54.07279	0.2
54.19762	0.2
55.01861	0.3
55.05503	0.2
56.96550	0.2
62.86298	0.2
67.05492	0.6
69.80392	0.4
69.80799	0.9
78.04706	0.9
79.05489	2.3
80.38823	0.2
81.03427	0.3
81.07050	0.8
91.05478	1.4
93.07044	1.2
95.04961	0.8
95.08604	0.4
97.02904	0.2
103.05450	1.3
104.06250	0.6
105.03414	0.2
105.04504	0.3
105.07027	9.5
106.04184	0.6
107.04967	1.6
107.08599	0.3
109.02874	0.3
109.06487	0.3
115.05466	2.1
115.96606	0.2
118.04165	0.5
119.04919	0.3
119.08581	0.3
121.06540	1.2
123.04433	3.4
124.05216	1.5
125.05979	0.4
131.04919	0.5
132.05620	0.4
133.06491	7.7
134.03613	0.2
135.04456	0.3
137.05975	0.4
143.06018	0.6
145.06416	0.3
146.03610	0.5
149.05983	1.9
151.03909	0.9
152.04680	1.3
160.05098	0.3
161.05978	6.4
165.09192	0.2
166.06300	0.3
167.07037	100.0
168.07381	1.8
178.06252	1.5
179.07004	0.6
181.08607	2.4
191.07140	0.5
193.08604	13.6
194.08907	0.4
211.09654	3.2
220.26602	0.2
385.11780	0.7
403.20541	0.3
403.25070	0.5
403.33429	0.3
418.24832	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	403.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
54.03454	1.7
55.01865	4.4
55.05511	16.4
56.96541	1.8
57.03424	2.5
57.07070	4.0
58.99583	3.0
63.24458	0.9
65.99409	1.2
67.05514	11.9
69.03431	1.3
69.07061	14.7
71.04993	1.9
71.08611	1.7
71.60754	1.1
73.02914	27.1
74.00661	11.3
74.02434	8.7
76.02209	5.9
79.05497	9.1
81.03394	1.5
81.07060	21.9
82.06533	2.3
83.08619	17.4
85.02900	1.8
85.06523	1.2
86.00665	7.8
86.99053	2.3
90.05491	1.1
91.05470	3.6
93.07037	12.6
95.04996	1.4
95.08606	14.9
96.08101	1.8
97.02887	1.6
97.06489	5.2
97.10166	9.3
98.00674	1.0
99.08108	1.3
100.02212	5.1
100.03980	2.1
105.00077	4.0
105.07005	3.2
105.97837	3.8
107.04978	1.0
107.08587	10.9
107.99398	9.1
109.10157	4.9
110.06020	6.5
110.09724	1.3
111.08043	3.2
113.04741	4.4
117.06989	1.1
117.99606	1.2
119.08580	1.7
120.01147	4.6
121.06477	1.3
121.10130	10.0
122.02726	62.9
123.08056	1.2
123.11682	1.4
124.03929	2.0
124.07600	6.6
125.09675	1.2
129.01833	1.9
131.08580	1.2
131.99370	55.4
133.10124	1.7
134.09654	1.0
135.11658	2.7
136.97249	21.6
138.09213	1.4
144.01128	1.6
145.01939	23.8
151.98323	2.1
153.99911	92.0
159.11639	1.3
159.98848	1.3
161.13271	1.0
163.14830	12.4
167.07040	2.8
167.99538	1.0
177.99910	81.8
180.17421	1.3
181.15900	5.4
194.19066	2.9
195.02563	17.4
198.18562	2.8
204.17441	2.8
205.00992	2.3
205.15863	1.2
205.99393	1.9
222.18570	7.0
223.02049	45.0
224.02417	1.1
229.07564	1.4
230.35435	1.1
232.16988	1.4
239.56674	1.0
247.08549	2.0
250.18022	100.0
251.18314	3.0
269.10580	1.1
352.51089	1.1
403.17184	11.5
403.22400	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41614	0.6
55.01879	2.4
55.05518	0.8
56.96571	0.8
67.05509	1.2
68.99810	1.6
69.03425	0.9
70.06590	1.6
71.60107	1.1
77.41868	0.8
79.01862	1.5
79.05518	2.1
80.54527	0.9
81.03430	1.6
81.07056	1.6
85.02917	2.3
91.05499	1.9
93.07069	1.3
95.04978	1.3
97.02903	2.3
103.05526	0.8
105.07056	1.9
107.04983	2.6
107.08591	1.1
109.02888	1.6
109.10189	0.9
113.63574	0.7
119.04920	6.6
119.08612	1.0
121.02863	19.2
121.03699	1.2
123.04491	1.3
131.04974	2.2
135.04422	1.2
137.02338	0.8
137.05995	1.9
138.03104	0.9
141.01852	0.8
143.05684	4.8
144.04053	2.3
144.06113	0.9
145.02837	4.8
147.04413	1.1
149.06024	1.1
151.03963	1.3
153.01874	1.0
153.05447	4.4
159.04373	0.9
161.05992	1.5
163.03912	5.9
165.01860	6.2
165.05540	1.0
167.03413	2.4
167.07005	5.7
175.03955	1.9
177.05511	1.5
177.79335	0.8
179.03395	1.8
181.04935	3.8
181.08560	0.9
183.02892	5.2
187.03961	1.7
191.03419	2.7
193.04990	1.3
195.02972	1.5
203.03416	3.1
205.05009	3.0
207.02963	1.2
209.08235	0.9
211.07512	1.2
213.05481	3.6
221.04509	1.6
227.07103	1.7
229.05043	2.6
231.02869	2.0
233.74005	0.9
239.07082	1.1
242.05846	1.0
243.06680	1.1
247.05943	1.1
249.04012	4.3
255.06660	5.2
256.07263	6.6
259.06177	1.3
267.06558	3.4
270.05237	1.2
271.06079	5.0
279.06470	3.8
281.08063	6.1
283.06012	83.8
284.06744	29.2
285.07410	2.6
293.08185	3.6
295.06012	15.6
297.07556	28.2
298.07941	0.9
305.08139	3.5
307.06067	3.0
308.06775	2.6
309.07562	22.2
310.07831	1.1
311.05508	1.9
311.09189	8.1
313.07059	67.9
314.07529	2.1
317.06638	1.2
321.07571	26.8
322.08121	1.3
323.05600	1.4
324.06418	0.9
325.07059	9.9
327.08701	0.9
337.07053	58.9
338.07309	2.4
339.08704	7.2
343.08084	8.0
349.07050	22.1
350.07431	1.0
359.16803	1.9
367.08124	100.0
368.08249	5.1
385.09146	33.3
385.14059	1.7
386.09665	1.0
403.10205	68.8
403.14709	3.3
404.10495	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1026
Annotation	Cerarvensin
Peak:m/z	Relative Intensity
53.03951	0.9
55.01867	3.2
63.15547	0.8
65.03905	1.3
67.05508	1.1
68.17176	0.8
69.03425	1.8
70.06563	1.2
70.17758	2.0
70.18142	3.0
71.09705	0.8
75.00031	0.9
79.01842	2.4
79.05485	1.7
79.26212	0.9
81.03428	1.4
81.07056	1.4
83.04971	1.1
84.08134	1.1
85.02898	1.6
91.05469	3.1
93.07043	1.0
95.04942	1.6
97.02911	1.6
98.21420	1.0
103.05447	1.2
105.07026	1.2
107.04993	2.2
111.04419	1.1
119.04935	4.6
119.08640	0.9
121.02869	18.9
123.04394	1.2
126.57275	0.9
129.71609	1.0
131.04961	1.0
135.04401	1.3
137.05923	1.4
138.03143	1.1
141.01813	1.6
143.05675	5.7
144.04057	3.1
145.02820	4.8
145.06329	1.0
147.04451	1.4
151.07533	1.1
153.01920	1.0
153.05515	5.1
163.03917	4.3
165.01857	7.0
167.03360	1.0
167.07094	5.7
175.03915	2.0
177.05402	1.3
179.03448	1.9
181.04961	3.7
183.02907	5.0
187.03938	1.4
191.03426	2.2
193.08597	1.6
203.03407	3.0
205.04991	3.1
207.02911	1.1
209.08073	1.3
213.05478	4.5
219.94916	0.9
229.04910	2.6
231.02892	2.3
243.06526	1.3
247.06061	1.6
249.03928	2.5
255.06488	5.7
256.07315	6.1
266.05542	1.0
267.06503	3.3
270.05249	2.1
271.06052	4.1
279.06601	2.8
281.08066	4.4
283.06015	75.3
284.06747	32.9
285.07355	2.8
293.08121	3.3
295.06027	14.4
297.07520	27.1
298.08231	1.1
305.08011	1.2
307.05954	2.6
308.06915	2.1
309.07541	18.1
310.08093	2.0
311.05811	1.9
311.09000	8.2
313.07059	67.8
314.07507	3.5
321.07617	25.8
322.07977	1.6
325.07047	9.0
337.07065	53.5
338.07361	2.3
339.08603	6.4
343.08099	10.4
349.07108	21.4
349.84628	1.0
359.16656	1.8
367.08136	100.0
368.08472	4.3
385.09167	36.2
386.09317	1.3
393.89325	1.3
403.10208	67.2
403.14301	2.6
403.18854	2.3
404.10477	3.2
414.77670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.9
55.05514	49.1
56.67526	7.8
56.96568	44.8
57.03429	23.1
61.02926	33.1
67.05501	100.0
69.03425	18.8
69.07074	68.6
71.04987	7.5
73.02901	17.3
73.44140	9.2
78.87873	7.7
79.05493	75.6
81.03431	11.8
81.07054	81.7
82.37362	7.1
83.04970	18.3
83.08612	32.3
85.02898	25.7
85.06535	11.3
85.48984	7.2
91.03979	12.4
91.05492	50.4
93.07045	61.5
95.04964	14.8
95.08601	40.3
97.02895	19.4
97.06519	9.5
97.10163	32.2
98.97546	13.5
101.02369	7.6
105.07022	40.8
107.04932	11.9
107.08602	48.6
109.06537	8.7
109.10139	49.0
116.98685	10.9
117.07023	11.2
119.08597	24.0
121.10123	21.2
123.11668	9.8
125.09627	18.9
131.08530	24.4
133.10152	26.9
135.11703	13.1
138.12820	9.4
145.10162	22.7
147.11694	12.0
149.01175	12.5
149.09540	13.2
149.13216	14.0
159.11688	20.9
161.09642	9.7
161.13162	11.0
163.11101	9.3
167.07024	19.0
170.99527	9.3
171.03220	7.3
173.10034	8.7
173.11725	12.4
177.00699	8.9
181.67499	7.8
189.00952	10.2
189.11211	16.5
194.15431	9.8
195.13680	8.2
199.06444	11.0
217.07463	16.6
219.05157	14.9
227.12740	18.6
229.07449	61.1
229.14407	9.0
231.09108	13.8
235.09024	21.5
241.04666	9.5
245.13838	12.1
247.08527	67.3
255.16000	22.1
268.08795	8.9
269.10452	46.2
269.17459	43.1
275.20041	29.8
277.56799	9.2
286.20090	24.4
287.11612	21.2
296.10117	53.2
316.08356	9.4
316.11749	99.5
316.61984	18.5
349.23856	15.9
402.67355	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	401.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05657	0.3
61.82477	0.2
62.93365	0.2
64.15536	0.2
67.05499	0.2
69.03436	0.9
69.07074	2.0
69.91738	1.2
70.06584	0.6
72.08163	0.2
73.02906	0.2
81.03418	0.8
84.08139	0.2
85.02909	0.5
86.09699	0.5
87.06716	3.7
91.05463	0.3
97.02892	0.5
98.20879	0.3
101.03531	0.2
107.04968	0.5
109.02879	0.4
121.10156	0.2
127.03910	0.6
137.05925	0.3
141.04079	0.9
143.05649	100.0
144.05972	0.6
145.06857	0.2
151.23120	0.2
161.06036	0.3
167.07057	0.8
167.09059	0.2
192.10143	0.3
217.08681	0.2
287.09531	0.2
310.08261	0.2
329.06470	1.2
330.10977	0.3
331.32291	0.2
343.12143	0.2
383.15073	0.5
401.12045	0.4
401.16663	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80607	2.2
53.03963	2.5
58.39629	1.8
67.05520	3.5
69.03436	3.6
78.04697	2.8
79.05487	18.0
81.07084	2.3
85.02905	2.8
91.05481	9.0
93.83293	1.9
95.04958	4.1
98.21595	4.1
105.06995	3.2
107.04951	30.9
115.05439	4.0
117.07066	2.6
123.04428	5.2
124.05198	5.6
128.06229	2.7
129.07021	7.4
131.08542	10.3
137.05980	2.6
141.06973	4.8
143.05679	4.2
144.03976	2.9
144.05714	8.5
145.06488	8.3
147.04367	2.3
152.04747	4.3
156.05702	14.6
157.06470	2.0
158.07263	3.2
159.08034	16.0
161.06006	3.3
163.03865	3.6
167.07040	100.0
169.06520	2.5
172.05226	2.7
173.05931	4.2
175.07555	2.8
177.05437	3.0
179.07112	2.6
181.04933	5.8
181.06444	2.7
184.05177	4.1
186.06836	3.2
187.07536	9.9
190.06125	3.8
191.08548	2.3
193.06630	2.3
197.08029	2.1
202.06232	5.6
202.07869	3.4
203.08534	3.8
205.06679	3.9
205.08551	20.0
207.06503	8.0
208.05199	20.0
209.08078	3.1
210.06825	2.4
211.07629	3.0
215.08707	2.6
217.06572	2.9
217.08597	31.3
217.93808	2.0
218.07269	4.3
219.08052	14.8
219.10205	6.2
220.08781	5.1
221.05989	8.1
229.08594	3.7
230.07257	2.5
231.08104	6.5
231.10199	2.2
233.09804	3.0
234.06731	3.5
235.07547	5.5
235.11226	3.6
236.04640	7.7
236.08365	4.2
237.08986	2.2
238.06178	2.6
239.07021	2.8
240.04190	3.8
245.09784	2.8
247.07507	12.8
247.09703	22.7
248.08223	10.2
249.05650	3.6
249.09117	5.9
251.10724	4.1
254.05771	8.3
255.06429	2.8
257.04578	2.6
259.07526	4.8
260.08298	2.7
261.09259	3.0
262.05914	2.2
262.09833	5.6
263.07065	5.0
263.10587	9.7
264.07791	10.6
265.08539	5.7
266.05948	4.8
267.06485	7.1
269.08066	22.6
271.09735	8.5
272.06738	5.6
275.07050	7.8
276.07800	10.9
277.08572	6.1
278.05817	2.5
279.10010	10.6
281.07977	3.1
282.05890	2.4
282.08823	12.4
285.07608	2.2
287.09338	3.2
290.09256	4.6
291.10040	15.6
292.07355	3.4
293.08044	11.3
299.09171	3.6
301.07050	4.3
305.08157	2.6
307.09540	13.3
308.10434	7.4
309.07632	3.2
309.11105	2.9
310.08420	8.4
311.12579	2.7
315.08615	70.5
316.09128	2.4
319.09650	6.8
321.07669	3.4
321.11313	3.7
323.09225	3.4
323.12750	17.6
325.10818	4.1
328.09555	4.4
329.06589	5.8
330.10999	75.3
331.11761	12.0
336.10016	6.9
337.10709	8.3
339.12234	11.1
343.11749	24.0
348.06027	2.8
350.11426	2.7
351.12259	29.5
352.12943	5.8
353.10089	6.7
356.12427	4.2
368.12531	11.5
369.13330	3.8
371.14966	4.1
378.96945	2.4
383.10217	4.5
383.14914	70.0
401.15967	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	401.1593
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03931	1.8
67.05495	2.7
69.03413	2.5
69.30841	19.8
69.31168	2.1
70.06558	2.0
78.04706	2.4
79.05484	13.4
81.03410	3.8
81.07082	4.6
91.05482	5.4
91.78308	1.9
93.07053	1.9
95.04955	6.6
103.05441	2.7
105.07030	2.1
106.04140	2.2
107.04284	2.8
107.04957	32.1
109.06520	2.4
115.05439	4.9
117.06996	3.0
121.06501	2.9
123.04424	5.4
124.05196	5.3
125.06006	2.9
129.07001	6.7
131.08534	10.3
133.10196	1.8
135.04494	2.0
141.06998	5.3
143.05627	2.3
144.05698	7.6
145.06474	5.9
151.03859	2.3
152.04672	4.0
156.05719	13.9
157.06491	2.6
159.08064	15.7
161.05988	4.5
163.03906	6.2
163.07651	1.8
167.07050	100.0
169.06363	1.8
170.07297	2.0
173.05956	4.9
177.05396	3.1
179.07028	3.4
181.05014	4.0
181.08598	3.0
184.05246	4.4
187.07544	9.1
190.06268	3.2
191.06985	2.6
191.08553	2.9
193.08594	2.4
195.06473	3.9
202.06223	6.2
203.06862	1.9
204.07887	2.3
205.06879	2.3
205.08612	14.0
207.06516	6.0
208.05211	12.7
208.08725	2.6
209.07928	2.0
210.06799	4.4
211.07491	4.4
215.08606	3.0
217.08597	37.1
218.07280	3.5
219.08032	9.4
219.10176	7.0
220.08862	3.9
221.05919	5.5
224.04744	2.6
229.08571	5.9
230.07301	2.1
231.08067	8.0
232.08910	2.7
233.09668	4.2
235.07596	3.5
236.04707	9.5
236.08257	4.1
239.07005	2.2
240.04195	4.3
245.09581	2.9
247.07466	12.4
247.09691	23.0
248.08432	11.4
249.05511	3.7
249.09056	3.0
251.10664	3.1
254.05682	5.8
255.06461	3.0
259.07614	4.1
261.05505	2.9
261.09076	3.8
261.30154	1.8
262.09839	3.8
263.07104	4.8
263.10605	10.4
264.07828	7.2
265.08572	5.3
266.05496	2.5
267.06500	6.5
268.03723	1.9
269.08072	19.2
271.09625	7.8
275.06979	6.7
276.07803	8.3
277.08548	5.1
278.09164	2.0
279.10199	8.7
282.05576	3.6
282.08798	12.4
285.07663	2.1
290.09381	6.3
291.10181	13.8
293.08121	8.4
296.10248	2.1
299.09149	5.3
300.06281	2.5
301.07074	3.2
307.09604	8.6
308.10428	6.7
309.11102	2.7
310.08395	6.2
311.12769	3.0
315.08621	61.6
319.09784	8.6
320.10345	2.9
321.07483	5.6
322.08331	3.1
323.12750	11.2
328.09296	4.7
330.10977	68.2
331.11798	9.4
336.09933	6.5
337.10681	7.0
339.12256	9.9
341.09851	2.2
343.11798	22.1
351.12286	26.6
352.12869	3.5
353.10196	5.7
356.12726	3.5
368.12469	6.4
369.13416	3.7
371.15005	6.1
373.16229	3.0
383.14893	64.8
401.16083	20.5
401.28635	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	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03938	3.9
55.01871	3.2
55.05506	2.9
56.05022	3.1
62.31915	2.3
65.03923	4.1
65.28542	2.4
67.05518	2.9
69.03423	8.6
69.07078	5.6
70.06594	12.3
70.17686	11.0
71.04990	5.0
72.08157	3.7
79.05493	18.4
81.03397	4.0
81.07035	7.5
84.08151	3.4
85.02900	8.4
86.09693	6.2
91.05476	10.0
93.07056	5.3
95.04967	11.2
97.02879	5.2
105.07026	3.7
107.04951	33.7
109.02894	5.4
115.05436	7.8
116.06252	4.3
116.98650	2.2
117.06985	3.9
119.08576	7.7
121.06504	3.3
122.06054	2.9
123.04424	9.4
124.05212	7.4
124.07579	3.1
125.05990	3.6
127.03924	5.0
128.06203	5.0
129.06981	9.7
131.04919	3.6
131.08588	12.1
131.56218	2.7
132.05708	2.8
133.02884	3.4
133.10153	4.3
137.06009	3.0
137.58264	2.3
139.03938	2.9
140.07024	11.2
141.07033	7.4
143.05652	62.7
144.03998	3.7
144.05699	8.5
145.06488	8.3
146.06009	5.5
151.03923	4.5
153.05441	3.2
154.08673	4.6
156.05644	14.9
157.06534	6.4
158.07266	2.7
159.08069	20.2
161.05927	4.4
161.09682	3.7
163.03886	7.2
163.07654	2.9
165.01944	2.9
165.06975	3.2
165.09097	4.8
167.07042	100.0
169.06430	3.8
170.07248	8.7
171.07938	3.2
173.06084	6.4
174.05489	5.9
175.07556	4.5
175.14769	3.1
177.05511	3.4
179.06976	4.2
181.04959	8.0
183.06516	12.3
184.05153	4.6
186.06830	3.5
187.07523	12.7
190.06259	4.6
190.07793	3.6
191.07068	3.8
191.08612	4.6
194.07460	3.1
195.06543	3.9
201.05528	2.9
201.09058	3.6
202.06186	5.7
202.07793	5.9
203.06975	5.9
203.93317	2.6
205.08565	14.7
207.06517	8.7
208.05208	19.1
217.08571	44.4
218.07260	7.9
218.09399	8.2
219.08055	16.1
219.10159	20.5
220.08795	5.8
221.06018	6.3
229.08566	4.9
231.07956	8.2
231.10182	15.0
233.09665	7.9
234.06749	5.9
235.07465	5.3
236.04759	6.1
236.08336	6.0
238.06310	3.2
239.16386	22.7
247.07480	18.0
247.09686	25.2
248.08260	14.3
249.09119	5.1
250.06274	3.7
251.10666	3.2
254.05719	5.3
259.07556	4.8
261.09103	6.0
262.09857	6.0
263.06943	4.4
263.10660	7.7
264.07834	8.8
265.08646	6.2
267.06534	5.2
269.08118	21.0
271.06384	2.5
271.09650	6.6
272.06659	3.7
275.07126	8.7
275.23318	2.6
276.07877	11.4
277.08572	8.1
279.10202	8.9
282.05417	2.7
282.08878	15.4
289.08844	2.5
290.09360	4.6
291.10175	21.5
292.07300	7.6
293.07999	8.6
293.11151	3.4
296.10883	3.0
299.08990	5.3
301.06973	3.9
305.08057	4.7
307.06314	4.0
307.09613	14.7
308.10330	9.4
309.07730	3.3
309.11194	4.9
310.08212	5.6
311.12784	2.9
313.11411	4.9
314.10715	5.4
315.08640	62.6
316.09256	5.4
319.09521	9.8
321.07651	5.1
323.09415	3.6
323.12674	14.9
324.10104	3.0
328.09521	6.4
329.06531	10.7
330.10962	78.7
331.11664	12.0
336.09927	4.9
337.10675	11.6
339.12320	10.0
341.10410	2.7
343.11798	22.4
351.12296	27.7
352.12866	5.8
353.10214	10.1
356.12564	5.0
368.12485	10.1
369.13440	17.8
371.15039	8.7
383.14908	74.0
401.15994	53.6
401.23782	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	401.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
56.05033	0.8
57.03436	0.7
59.32599	0.3
61.02927	0.6
63.03438	0.3
65.03934	1.5
69.03432	1.9
70.06593	0.6
71.01372	0.4
71.16610	0.5
71.16933	0.5
81.03428	0.7
84.04507	24.1
84.08130	0.4
85.02914	4.7
87.00823	0.3
87.01441	0.3
88.41505	0.3
91.05508	0.4
92.04992	3.4
93.03426	0.5
96.04511	0.4
96.08125	0.6
97.02901	2.2
98.06045	0.7
108.04553	0.5
109.02928	0.4
110.06046	100.0
111.04444	1.5
111.06408	0.6
123.04523	0.5
126.05510	1.1
127.03928	0.7
130.04999	11.9
135.04442	0.5
139.03870	0.4
143.05672	0.8
158.06067	1.0
163.03943	1.5
172.06068	0.5
175.08664	0.7
176.07086	3.5
181.04950	1.8
208.06082	0.5
220.06073	0.4
221.09256	1.4
222.07652	2.7
227.50186	0.3
239.10272	19.6
256.08301	0.6
267.65512	0.3
285.69339	0.3
401.10220	0.4
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
51.79848	1.6
52.02119	1.7
53.03930	2.5
55.01866	2.4
58.99590	1.9
67.05505	2.5
69.03415	5.9
69.07047	2.2
70.06602	9.8
70.85521	6.1
71.04978	2.2
72.08161	2.3
77.06128	1.8
77.32131	1.6
79.05490	13.9
81.03402	2.1
81.07048	4.4
82.84550	1.7
84.08176	2.2
85.02899	5.6
86.09693	6.5
91.04987	2.1
91.05448	11.0
93.07035	2.8
95.04982	9.2
97.02872	3.6
97.21331	2.0
105.07036	3.6
107.04962	32.3
109.10159	2.4
111.04442	2.3
115.05495	3.7
116.06223	2.7
117.06997	4.1
119.04945	4.5
121.06524	3.5
122.06082	3.4
123.04437	4.6
124.05187	6.9
125.05935	4.5
127.03859	2.4
128.06206	2.4
129.06992	6.6
131.08565	8.0
133.06519	2.8
137.05933	3.0
139.03856	4.2
140.07071	3.3
141.06963	2.7
143.05664	20.8
144.05713	5.3
145.06470	6.8
147.04407	4.2
151.03900	3.1
152.04594	2.4
153.05446	3.2
156.05734	13.4
159.08067	14.7
161.05881	3.1
163.03894	4.6
165.06885	2.8
167.07036	100.0
169.06430	2.6
173.05945	4.7
174.05513	3.1
175.03918	2.7
177.05371	4.5
179.06992	2.4
181.04987	6.2
181.08551	3.8
184.05190	3.5
186.06766	4.3
187.07532	9.5
190.06268	2.8
191.08577	4.4
193.06514	2.9
193.08563	2.9
195.06554	5.4
201.08881	1.9
201.52075	2.0
202.06215	4.7
202.07909	3.1
203.08528	3.6
205.06779	3.6
205.08562	16.3
207.06529	7.4
208.05141	18.4
208.09740	2.5
209.08020	3.1
210.06775	5.7
217.08568	32.0
218.07274	4.8
219.08034	10.9
219.10110	4.3
220.08815	5.7
221.06006	5.9
229.08664	7.3
231.08005	9.1
231.10199	4.4
233.09579	5.3
235.07620	4.6
236.04713	5.8
236.08246	4.6
238.06168	2.7
239.11212	2.4
239.16504	3.4
241.08725	2.3
245.09618	2.9
246.06783	3.1
247.07478	9.0
247.09674	23.2
248.08243	12.9
249.05524	3.4
249.09172	2.5
254.05766	8.4
259.07578	4.1
260.08731	2.6
261.05475	3.0
261.09210	5.6
262.09933	2.2
263.06982	3.2
263.10764	11.6
264.07831	6.0
265.08646	6.3
267.06537	7.8
269.08075	20.9
271.09683	7.6
272.06796	3.1
275.07074	7.8
276.07828	8.5
277.08530	4.7
279.10129	9.2
282.05457	3.6
282.08871	14.9
290.09424	5.7
291.10132	19.6
292.07245	2.5
293.07962	9.0
294.08905	2.1
296.10568	4.1
297.08035	2.3
299.05615	2.8
299.09064	5.8
305.08109	3.7
307.09644	9.6
308.10406	7.1
309.11145	2.5
310.08286	8.5
311.12723	2.4
315.08612	69.7
319.09601	8.9
321.07425	4.0
322.12112	2.9
323.12708	15.6
325.10669	3.7
328.09290	3.8
330.10992	77.9
331.11673	12.2
336.09839	6.1
337.10791	7.1
339.08624	2.4
339.12064	11.0
343.11707	19.4
351.12244	26.9
352.12857	5.3
353.10089	4.9
356.12634	4.0
368.12460	10.0
369.13260	3.9
371.14832	6.7
383.14859	72.5
384.15036	2.7
401.10733	4.0
401.16611	17.2
401.23596	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1233
Annotation	Piscidanol
Peak:m/z	Relative Intensity
52.60271	0.4
55.01866	0.7
55.05501	1.0
59.05007	0.6
65.03944	0.6
67.05155	0.4
67.05495	1.2
68.57717	0.5
69.03432	1.0
69.07047	0.8
70.17840	2.1
71.05003	0.9
78.09042	0.4
79.05502	2.6
81.03413	0.5
81.07071	2.4
85.02909	0.7
91.05484	2.0
93.07048	1.2
95.04961	1.9
95.08599	1.4
97.06516	0.6
103.05459	1.0
105.07046	1.0
107.04966	4.7
107.08588	0.8
109.02917	0.9
109.06555	0.6
109.10165	0.9
115.05495	0.8
116.06227	0.5
117.07006	0.9
119.08578	0.6
121.06516	1.1
121.10127	0.8
123.04446	1.2
124.05195	1.2
125.05995	0.6
127.03892	0.5
129.07013	1.3
131.04948	2.7
131.08553	1.8
133.06483	0.8
133.13281	0.5
134.03622	1.7
135.04401	0.6
137.05980	1.1
141.06944	1.0
144.05731	1.0
145.06494	1.5
147.08150	0.5
149.05988	1.1
149.13353	0.5
151.03894	0.9
151.07497	0.6
151.18044	0.5
153.01801	3.3
153.05496	0.9
156.05659	1.9
157.06509	0.5
159.08058	3.2
161.05949	1.6
161.09596	0.5
163.03911	1.0
165.07101	0.4
167.07050	15.9
169.10327	0.5
170.02028	0.6
173.05960	0.6
177.01825	0.8
177.05475	1.7
181.01315	2.8
181.04955	2.4
181.08553	0.5
182.07117	0.5
184.05203	0.6
187.07524	1.7
189.05475	0.9
191.07045	0.9
191.08607	0.5
193.08604	0.7
195.06406	0.6
197.00798	0.8
201.05655	0.5
202.06198	1.0
203.06891	0.8
203.08640	0.6
204.07741	0.5
205.08554	2.8
207.06476	1.6
208.05161	2.5
208.09073	0.5
209.08040	0.7
213.05426	0.6
217.08582	4.0
219.06334	1.0
219.08080	1.7
219.10153	1.1
220.08820	1.2
221.06012	0.9
229.04971	2.7
229.08675	1.0
230.05685	1.1
231.10201	0.6
233.09624	1.0
235.07552	0.8
236.04678	1.1
236.08467	0.6
237.09280	0.6
241.04932	2.0
245.04443	0.7
247.07466	1.6
247.09732	2.7
248.08261	2.3
253.05055	0.5
254.05650	1.4
257.04465	0.9
258.05206	1.1
261.09207	0.7
262.09769	0.7
263.10641	2.1
264.07813	0.9
265.08618	1.0
267.02841	1.3
267.06509	1.2
268.03671	0.6
269.04453	6.2
269.08011	3.6
271.09732	1.5
272.06866	0.6
273.04001	0.9
275.06937	0.9
276.07822	1.4
277.08850	0.6
279.10175	1.2
282.08896	1.3
284.03177	1.8
285.03970	2.3
285.07343	0.8
286.04700	2.1
291.10138	2.2
292.07318	0.8
293.08035	1.5
295.02472	1.0
297.03967	3.0
297.07166	0.6
298.04742	4.9
299.09140	0.7
300.06247	0.7
301.03430	5.5
301.07108	1.5
305.08118	0.6
307.09729	1.6
308.10623	0.8
309.04062	0.9
309.07477	0.5
310.04718	1.5
310.08197	1.0
311.05441	1.8
311.13028	0.6
312.02625	4.6
313.07028	11.5
313.10620	0.8
313.27573	0.5
314.04196	8.2
314.07623	0.8
315.05042	0.7
315.08569	8.5
319.09714	1.4
321.07715	0.9
323.09360	0.6
323.12817	2.6
325.07123	5.6
325.10764	0.7
327.05002	8.4
327.08725	0.9
328.09644	0.9
329.06546	100.0
330.06921	3.1
330.10968	11.5
331.11667	1.7
337.10562	1.4
339.12296	1.4
341.06503	0.6
341.10172	0.7
343.11731	2.7
345.06079	0.7
351.12292	3.6
352.13080	0.7
353.10281	1.3
355.11752	8.5
356.12271	0.9
365.10214	0.7
368.12503	1.4
369.13312	1.1
371.15024	0.5
383.11139	10.3
383.15030	6.7
384.11542	0.9
401.11954	18.4
401.16119	2.8
401.27213	0.6
402.12601	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1233
Annotation	Piscidanol
Peak:m/z	Relative Intensity
50.32908	0.2
55.05555	0.2
57.03503	0.2
57.12830	0.2
59.05056	0.4
67.05551	0.5
68.99866	0.3
69.03489	0.4
69.07136	0.3
71.61145	0.4
72.03081	0.3
72.08172	1.1
79.05505	1.2
80.53180	0.2
81.03520	0.3
81.07130	0.7
83.05048	0.3
85.02958	0.4
91.04052	0.2
91.05575	1.3
93.07128	0.4
94.04209	0.2
95.05054	0.8
95.08682	0.5
97.03016	0.2
97.06590	0.2
103.05532	0.3
105.07142	0.6
107.04967	2.0
107.08665	0.3
109.06594	0.3
109.10239	0.4
115.05515	0.5
117.07075	0.4
119.08658	0.5
121.06590	0.6
123.04520	0.5
123.08152	0.3
125.06083	0.4
129.07069	0.4
131.04936	1.8
131.08658	0.6
134.03633	2.4
135.08116	0.3
137.06073	0.7
141.07057	0.5
143.88264	0.2
144.05797	0.7
145.06596	0.9
146.11835	0.2
147.11859	0.3
149.06062	0.4
151.03957	0.5
151.07660	0.3
153.01825	4.0
153.05519	0.4
156.05809	1.0
157.02979	0.3
157.06541	0.3
159.04468	0.3
159.08052	1.1
160.05249	0.3
161.06094	0.5
163.03986	0.4
165.09242	0.3
167.07053	7.0
169.06532	0.3
170.02213	0.6
170.07306	0.2
171.04504	0.5
173.06041	0.5
175.03961	0.4
177.05595	0.8
178.99930	0.2
181.01331	2.4
181.05103	0.7
181.08650	0.2
185.06039	0.4
186.06926	0.3
187.07701	0.8
189.09183	0.4
191.07111	0.4
191.08623	0.2
197.00946	0.6
199.03995	0.5
201.05411	0.2
202.06320	0.6
205.08588	1.2
207.06619	0.7
208.03558	0.3
208.05106	1.3
209.08078	0.4
210.06830	0.3
213.05476	0.4
215.08821	0.2
217.05057	0.3
217.08611	2.4
218.07304	0.3
219.08183	1.1
219.10326	0.7
220.08955	0.4
221.06024	0.5
227.03519	0.4
229.04935	2.7
229.08640	0.4
230.05797	0.9
231.08153	0.4
231.10271	0.4
233.09708	0.6
235.07542	0.4
236.04688	0.3
240.04327	0.6
241.04967	2.0
241.08746	0.3
242.05908	0.3
245.04494	0.7
247.07533	0.9
247.09781	1.0
248.08388	0.8
249.09451	0.3
250.06213	0.3
250.19322	0.2
251.03476	0.2
251.06969	0.3
253.05058	0.5
254.05769	0.9
255.06445	0.3
257.04483	0.7
258.05136	1.7
259.05753	0.3
261.09402	0.3
262.06461	0.2
262.09769	0.4
263.10669	0.5
264.07935	0.4
265.05032	0.3
265.08694	0.7
267.02954	1.1
267.06537	0.5
268.03717	0.4
269.04510	5.0
269.08087	1.6
270.05215	0.6
271.09613	0.6
273.04028	0.7
275.07068	0.5
276.07819	0.5
277.08475	0.3
279.10178	0.4
282.05389	0.5
282.08917	0.7
283.05902	0.4
284.03183	1.8
285.03882	1.5
285.06982	0.2
286.04672	2.4
287.09253	0.3
291.10184	1.0
292.07468	0.3
293.08173	1.0
295.02383	1.0
295.05740	0.3
296.03030	0.3
297.03989	2.7
297.07166	0.4
298.04715	4.4
299.05603	0.4
299.09094	0.5
301.03476	5.1
301.07132	0.8
304.07132	0.3
307.09671	0.7
308.10352	0.5
309.03992	0.5
310.04733	1.2
310.08295	0.4
311.05469	1.3
311.08740	0.3
312.02670	5.0
312.06012	0.3
313.03522	0.4
313.07040	8.3
314.04208	8.1
314.07388	0.4
315.05011	0.4
315.08603	4.0
321.07388	0.3
321.11218	0.3
322.08545	0.3
323.12805	0.9
325.07043	3.8
325.10468	0.3
326.07593	0.3
327.05008	7.6
327.08289	0.4
328.09305	0.3
329.06552	100.0
330.03177	0.3
330.06900	3.7
330.10980	4.7
331.11707	1.0
336.09888	0.3
337.10834	0.5
338.11169	0.3
339.12396	0.6
340.09427	0.5
341.10129	0.6
343.08093	0.4
343.11575	1.4
345.05923	0.4
350.07803	0.5
351.12317	2.0
353.10358	0.6
355.07462	0.4
355.11746	6.6
356.12131	0.3
365.10159	0.5
368.12396	0.8
369.13654	0.3
371.14877	0.6
383.11133	8.8
383.15018	3.2
384.11749	0.4
401.12170	15.2
401.16135	1.1
402.12686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01863	0.5
55.05492	0.9
56.96539	0.4
57.03422	0.6
57.07067	0.5
59.05000	20.4
59.10284	0.3
65.03916	0.5
67.05495	1.4
69.07059	0.9
71.04975	0.5
71.52453	0.4
71.59978	0.4
78.04712	0.5
79.05492	3.6
80.37867	0.4
81.03430	0.5
81.07065	2.0
83.04957	0.4
83.08622	0.7
84.08151	0.5
85.02895	0.8
85.06059	0.4
91.05464	1.7
93.07042	1.6
95.04979	1.9
95.08619	1.4
97.02859	0.5
97.06528	0.6
98.97604	0.6
103.05494	0.5
105.07030	1.8
107.04955	3.7
107.08572	0.9
109.02884	0.4
109.10134	1.2
115.05398	0.8
119.08558	0.6
121.06506	1.0
121.10124	0.8
123.04432	1.3
123.08054	0.6
123.11699	0.5
124.05182	0.7
125.05997	0.6
129.06996	1.1
131.08556	1.4
134.03609	0.4
135.04370	0.4
135.08026	0.7
137.05975	1.1
139.07535	0.5
141.06926	0.6
143.08513	0.5
144.05670	0.6
145.02863	0.6
145.06497	1.1
145.10123	0.7
147.04436	0.6
147.11691	0.8
149.05951	0.5
151.03891	0.8
153.05457	0.6
153.06934	0.5
156.05684	1.4
157.06493	0.5
159.08073	2.5
159.11765	0.4
161.05975	1.1
163.03900	1.2
165.07031	0.5
167.07056	12.7
169.88811	0.4
173.02379	1.5
173.05905	0.5
176.01057	6.3
177.01840	2.6
177.05501	0.8
179.07066	0.5
181.04988	1.0
181.06480	1.8
181.08551	0.6
184.08925	0.7
186.06674	0.5
187.07545	1.8
189.05441	0.5
191.07019	0.8
191.08578	0.4
192.07831	0.5
194.02103	7.7
195.06480	0.4
197.58769	0.4
201.09183	0.5
202.06244	0.7
205.06693	0.5
205.08594	2.0
207.06514	1.2
208.05206	1.6
209.05933	1.7
217.08566	3.4
219.08057	1.1
219.10129	1.0
220.08728	0.8
221.05974	0.7
226.06223	1.3
229.08571	0.5
230.07265	0.5
231.08058	0.8
231.10201	0.7
233.06004	0.5
233.09468	0.7
235.07527	0.7
236.04692	0.7
236.08430	0.7
237.05397	2.8
238.06248	0.5
245.09538	0.5
247.07466	1.2
247.09695	2.6
248.08311	1.4
249.05585	0.5
249.09113	0.7
253.05060	2.0
254.05823	2.5
255.06462	1.1
259.07504	0.5
261.09341	0.6
262.09869	0.8
263.07141	0.7
263.10657	1.2
264.07669	1.2
265.04956	11.4
265.08435	0.7
266.05545	0.9
267.06519	0.6
268.03683	0.5
269.08118	3.3
271.09583	0.9
275.07138	1.0
276.07816	1.2
277.08563	0.6
279.10068	1.0
280.07382	0.6
282.05212	4.3
282.08664	0.9
290.09366	0.8
291.10086	2.2
292.03604	1.3
292.06937	0.5
293.04459	10.5
293.07993	1.1
294.04849	0.4
297.07523	4.2
299.05438	0.5
299.09106	0.8
307.09576	1.0
308.10611	0.5
310.01169	0.6
310.04736	9.6
310.08093	0.7
311.12607	0.5
315.08569	5.3
316.08868	0.5
319.09735	1.5
321.07803	0.5
323.09299	0.7
323.12689	1.5
325.07062	100.0
326.07385	4.9
330.11029	6.8
331.11877	1.1
336.09833	0.8
337.10681	1.3
339.12216	1.0
343.11746	0.9
351.12198	3.2
352.13177	0.7
353.10330	0.6
368.12549	1.0
369.13394	0.7
371.15134	0.6
383.14993	7.1
401.12009	1.4
401.16504	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1234
Annotation	Lisetin hydrate
Peak:m/z	Relative Intensity
55.05500	0.3
57.03436	0.3
59.05002	17.6
67.05493	0.3
69.03405	0.3
69.07060	0.4
69.47827	1.1
69.48251	0.8
71.01247	0.2
73.87006	0.2
78.38902	0.2
79.05505	1.0
79.05887	0.2
81.03404	0.4
81.07066	1.0
83.04972	0.3
85.02898	0.3
91.05477	0.8
92.99783	0.4
93.07049	0.5
95.04969	0.5
95.08598	0.4
97.02905	0.4
97.03709	0.2
97.06516	0.4
98.20770	0.5
101.56358	0.2
105.07020	0.5
107.04932	1.2
107.08572	0.5
109.02944	0.3
109.06509	0.4
109.10138	0.3
119.08591	0.4
120.02069	0.3
121.06493	0.3
121.10092	0.3
123.04451	0.4
123.11672	0.2
128.06216	0.3
129.06998	0.4
131.08592	0.4
133.06499	0.3
133.10139	0.2
134.03612	0.6
135.00809	0.4
135.04395	0.2
135.08012	0.3
135.11697	0.2
141.06944	0.3
144.05724	0.4
145.06499	0.3
147.04395	0.3
148.01559	0.7
149.02342	0.3
149.05991	0.5
151.03905	0.3
152.06238	0.3
153.05531	0.2
153.06963	0.9
155.05017	0.2
156.05687	0.5
159.08080	0.7
163.03958	0.5
165.05518	0.3
165.06956	0.5
167.07036	4.2
170.07245	0.3
173.02328	1.2
175.07571	0.3
176.01041	5.9
177.01843	2.7
181.04997	0.5
181.06496	1.9
181.88734	0.2
187.07574	0.6
189.05583	0.3
191.07053	0.4
193.05017	0.3
194.02110	7.9
197.11659	0.2
198.06793	0.3
205.08565	0.6
207.06497	0.5
208.03418	0.2
208.05229	0.9
209.06056	1.6
209.07954	0.3
213.05501	0.2
217.08574	1.2
219.08055	0.7
219.10023	0.4
221.05983	0.9
225.05438	0.5
226.06216	1.6
231.10150	0.3
236.04646	0.6
237.05434	3.6
238.06323	0.2
241.04865	0.3
247.07417	0.6
247.09677	0.5
248.08446	0.4
249.05476	0.5
251.07127	0.3
253.04959	2.4
254.05743	2.6
255.06421	0.3
263.10611	0.3
264.04019	0.4
264.07642	0.3
265.04968	10.6
266.05420	0.6
267.06516	0.3
269.08130	2.6
271.05945	0.2
271.09464	0.2
275.07074	0.5
276.07986	0.3
279.10281	0.3
281.04462	0.3
282.05270	3.6
282.08530	0.4
291.10184	0.5
292.03577	1.0
293.04465	8.9
293.07770	0.4
294.05087	0.4
297.07562	4.9
298.04800	0.8
299.05621	0.3
303.04959	0.3
307.05972	0.4
307.09521	0.4
308.10449	0.3
310.04718	9.3
311.05164	0.5
313.07162	1.4
315.08545	1.8
322.08319	0.4
323.12820	0.6
325.07062	100.0
326.07410	4.2
330.10834	1.7
331.11755	0.6
337.10690	0.8
339.12643	0.3
343.11865	0.7
350.07919	0.5
351.12531	1.2
352.13123	0.3
353.09955	0.3
355.11679	0.3
365.10208	2.4
368.11737	0.2
371.14844	0.3
383.10748	2.2
383.15564	1.6
389.93002	0.2
401.11508	1.2
401.16867	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1234
Annotation	4'-Demethylepipodophyllotoxin
Peak:m/z	Relative Intensity
55.05502	1.5
56.96559	1.1
57.03419	0.7
59.04991	3.6
59.23193	0.7
67.05495	3.5
68.99791	0.8
69.03413	2.1
69.07067	1.8
71.04978	0.8
78.42750	0.9
79.05492	3.2
81.03410	1.6
81.07068	4.6
83.08569	0.7
84.08139	0.9
85.02914	1.2
91.05494	3.8
93.07047	2.1
95.04977	1.9
95.08637	4.1
97.02934	1.6
97.06560	0.9
103.05439	0.9
105.07018	3.4
107.04974	3.7
107.08575	2.8
109.02857	1.1
109.06540	2.0
109.10147	2.3
115.05534	1.0
119.08611	1.9
121.06493	1.0
121.10124	1.7
122.03648	0.9
123.08089	1.1
127.03954	1.2
129.06998	1.1
131.04904	0.9
131.08565	1.9
133.06491	1.2
133.10074	2.1
134.03712	1.0
136.80824	0.7
137.05968	4.6
137.09578	0.9
141.06976	1.5
143.08536	1.1
144.05699	0.8
145.02817	1.4
145.06482	1.5
145.10081	1.3
147.04433	1.0
147.11684	1.2
151.03879	1.3
153.01843	1.8
153.05493	1.1
155.17317	0.8
157.10138	1.5
159.08044	2.7
159.11711	1.4
161.05960	1.7
167.07053	13.9
173.05946	0.9
175.14822	0.8
177.05484	2.1
181.04976	2.2
181.08549	1.0
187.07494	2.2
191.07013	1.1
191.08672	0.8
193.04945	1.9
195.06474	0.8
197.05869	0.9
205.08640	2.9
207.10220	0.9
208.05214	1.7
217.08557	4.0
219.08093	1.5
219.10168	1.0
247.07489	1.7
247.09702	2.7
248.08289	1.8
257.04422	2.8
263.10620	0.9
265.04904	1.3
265.08493	1.5
267.06659	0.9
269.08075	2.9
271.06104	0.9
275.07166	1.1
276.07675	1.3
279.10208	0.9
281.08185	1.2
282.08786	1.8
285.07535	1.1
285.10992	1.1
286.04721	1.2
287.05466	3.4
291.10278	1.6
293.08054	2.1
297.07303	1.2
298.04739	12.9
299.05475	1.7
299.08951	1.3
305.08047	1.2
307.09576	1.4
309.07532	1.3
310.04822	0.9
310.08408	1.1
311.05487	3.0
313.07080	23.7
313.10568	0.8
314.07312	1.0
315.08624	4.6
321.07419	1.8
322.08542	1.1
323.12775	2.1
325.07080	7.1
326.07797	6.6
328.09354	0.9
329.06750	1.0
329.10083	1.6
330.11090	7.9
331.11884	1.6
337.10724	1.9
338.07690	0.8
339.12262	1.1
340.09451	1.8
341.10233	46.4
342.10342	1.7
343.11661	2.1
350.07935	5.6
351.12244	3.0
353.10309	3.9
355.11728	7.0
365.10254	10.1
368.12408	0.9
371.06192	0.8
383.11197	100.0
384.11728	4.6
393.97839	0.8
401.12103	8.5
401.16370	3.2
401.22937	1.1
420.28516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.3
56.96549	2.0
60.25078	1.0
69.03429	2.9
70.06585	4.1
70.39285	3.9
79.05490	1.2
81.03416	3.0
83.04982	3.7
84.08124	2.0
85.02886	4.4
86.09690	3.8
89.01701	1.1
89.03898	5.8
91.48631	1.1
95.04917	1.6
97.02882	3.1
107.04963	2.2
109.02889	1.6
110.07149	1.1
111.04459	5.5
116.98595	1.7
117.03390	7.7
121.02864	1.4
123.04435	1.8
125.02296	1.9
127.03909	1.9
128.06996	1.2
129.05479	1.9
135.04414	16.6
139.03876	4.8
141.01831	1.9
145.02829	9.9
147.04362	1.9
151.03909	1.9
157.04922	1.5
163.03905	100.0
164.04247	3.2
167.03380	1.2
167.06995	1.4
175.06052	1.3
177.05435	2.6
181.04955	16.2
185.04469	2.3
195.38330	1.1
203.05406	1.3
207.06500	2.2
239.08997	1.9
261.07184	1.4
264.14832	1.3
305.06601	1.3
325.46716	1.2
401.14398	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	401.123
Annotation	4'-Demethylepipodophyllotoxin
Peak:m/z	Relative Intensity
52.45249	0.6
53.03906	0.7
55.05502	2.2
57.03417	0.7
59.05013	3.7
67.05489	3.2
69.03417	1.1
69.07040	1.9
71.60321	0.8
73.02911	0.7
73.14371	0.7
75.00019	2.4
79.05489	3.9
81.03400	1.4
81.07047	6.6
83.04971	0.7
83.08607	1.3
84.08126	1.5
85.02911	2.4
86.24828	0.7
91.05466	3.0
93.07020	2.8
95.04961	1.9
95.08593	2.2
96.87769	0.7
97.02881	1.9
97.06537	1.2
102.99505	0.9
105.07027	3.0
107.04942	2.7
107.08590	2.0
109.06507	1.2
109.10117	1.7
117.06994	0.9
119.08571	1.4
121.06498	1.3
121.10143	1.6
123.04422	0.7
127.03912	1.1
129.07002	1.6
131.08585	1.7
133.10159	1.3
134.99652	0.9
137.05948	1.3
137.09578	0.8
145.10088	1.4
147.11668	2.1
149.05826	1.0
153.01709	1.1
153.05478	1.3
157.10088	1.3
159.08032	1.6
160.05193	1.0
161.06097	1.0
163.03833	1.6
165.01894	0.8
167.07039	11.1
181.04877	1.0
185.13257	0.7
187.07657	1.2
199.14827	0.8
205.08569	1.1
208.05229	0.9
215.90392	0.7
217.08638	1.6
248.08459	0.9
254.05641	1.0
257.04462	2.5
258.05261	1.4
264.07761	0.9
265.04929	1.3
265.08679	0.8
269.08066	3.1
273.18683	0.9
277.08600	1.1
281.04669	0.8
281.07886	1.1
282.08698	0.8
285.11142	0.8
286.04730	3.1
287.05499	2.6
291.10159	1.1
291.19629	1.0
293.07834	1.1
296.10172	0.9
297.07794	1.1
298.04706	12.9
299.05316	1.0
300.06140	1.1
311.05469	3.3
312.02783	0.9
313.07047	22.5
313.10645	1.2
314.07443	1.2
315.08569	3.3
322.08386	1.1
323.09085	1.4
323.12729	1.7
325.07034	8.1
326.07822	5.8
327.08487	1.3
329.06348	1.0
330.11115	3.8
337.10767	1.0
338.07687	0.9
341.10175	46.4
342.10629	2.3
343.11484	1.4
350.07861	6.1
351.12308	2.7
353.10043	5.1
355.11859	6.9
365.10104	12.4
383.11191	100.0
384.11511	4.7
401.11920	5.4
401.22681	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98231	0.4
53.03933	0.9
55.01876	6.7
55.05500	1.2
56.96556	0.7
61.80913	0.4
62.10511	0.4
65.03651	0.5
65.03944	5.6
67.05508	3.0
69.03424	2.7
69.07056	0.9
70.06594	5.3
71.01335	0.6
71.04985	0.9
71.17785	1.3
72.08141	1.6
75.15697	0.4
79.05479	2.1
81.03394	2.2
81.07056	1.1
82.04188	1.5
83.04959	1.6
84.04487	0.7
84.08121	1.7
85.02901	6.8
86.09709	5.2
91.05475	2.0
93.03403	1.3
93.07047	0.6
94.04166	0.5
94.68655	0.5
95.01322	4.5
95.04976	3.4
96.08101	0.5
97.02911	2.3
97.06522	1.9
99.04423	0.7
102.95338	0.5
103.05447	1.3
105.03407	0.5
107.04951	3.8
108.02055	0.8
108.60989	0.4
109.02876	0.5
110.03645	2.1
110.07145	0.7
111.00781	0.5
111.04438	3.5
111.31712	0.5
112.08743	1.1
115.05460	0.5
116.07079	1.3
119.04973	1.1
121.02881	0.7
121.06496	1.8
123.00792	2.0
123.04419	2.5
123.08029	0.7
124.05247	0.7
125.02329	1.0
125.05975	2.3
127.03896	0.9
129.05479	0.7
129.06979	0.5
129.10274	0.6
131.04900	1.1
133.02831	0.8
133.06487	0.9
135.04428	1.1
135.08119	0.8
135.09273	0.5
137.02339	1.4
137.05960	2.3
138.03139	1.5
139.03908	6.1
140.04689	1.7
141.01849	4.6
142.02599	1.7
143.05624	1.3
145.06427	0.7
147.04356	1.8
149.05977	2.1
151.03947	1.2
152.04816	0.5
153.05458	1.3
155.07010	2.1
155.86758	0.5
157.04910	0.6
159.04407	0.6
161.05952	1.3
163.03934	1.0
165.05569	0.8
166.02690	0.6
167.03407	1.4
167.07045	8.7
171.06543	5.3
175.03981	0.5
177.05457	5.1
178.02649	0.5
178.05919	0.6
179.03358	0.9
179.06987	1.2
181.04948	100.0
182.05376	1.8
183.02832	0.6
183.06511	1.0
184.71945	0.5
187.07454	0.6
191.07047	0.5
193.05014	0.7
205.04916	0.6
205.08504	0.5
206.02090	3.7
207.06544	5.7
208.05157	0.5
209.00812	1.2
209.08070	7.6
217.08606	1.5
221.08005	0.8
221.11699	0.7
224.03123	1.9
225.07602	1.3
236.04755	0.5
239.05481	13.0
247.09743	0.6
248.08359	0.5
253.06941	2.4
259.05600	0.6
264.07605	0.7
275.05377	0.9
277.07010	1.5
287.69159	0.5
295.08069	1.8
303.08743	2.5
305.06424	3.6
310.08206	0.6
315.08560	2.8
323.07617	0.5
323.12772	0.7
324.58667	0.7
325.09229	1.4
330.10977	2.5
339.10846	0.9
343.11874	1.2
351.12122	1.2
365.08765	0.8
383.09879	1.0
383.14801	2.2
401.12976	2.7
401.18216	3.8
401.28726	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
56.96552	1.3
62.35977	0.8
65.03947	6.5
67.05490	3.7
69.03438	4.4
69.07065	1.1
70.06591	11.1
70.19263	3.6
72.08144	3.0
73.02901	1.2
79.05474	2.1
81.03430	1.4
82.04173	1.8
83.04990	2.6
84.04495	1.9
84.08108	2.8
85.02908	5.9
86.09694	3.7
89.03907	1.5
91.05480	2.1
93.03372	1.2
95.01341	6.9
95.04959	4.3
97.02928	4.1
97.06534	1.6
98.97568	1.4
99.04493	1.2
103.05463	1.2
105.07030	1.6
107.04946	3.8
107.08605	0.9
108.02050	1.6
110.03643	1.9
111.04442	3.3
115.05441	1.1
116.07096	2.9
119.04938	1.7
119.08540	1.1
121.02804	0.9
121.06530	1.2
123.00788	16.4
123.04419	4.7
125.02351	2.5
125.05975	3.7
127.03913	1.8
129.05475	1.1
131.04915	1.4
133.06490	2.3
135.04407	2.7
137.02312	1.1
137.05965	1.6
138.03094	1.2
139.03900	1.6
140.04697	2.0
141.01830	27.2
141.05426	1.1
142.02528	1.2
143.05653	3.4
145.02823	1.4
147.04352	1.2
149.05992	1.2
151.03851	1.6
153.05461	1.0
155.07018	1.7
161.05965	5.0
163.03917	8.2
164.04256	1.2
167.03336	1.0
167.06998	6.7
169.01309	1.8
169.63425	0.8
171.06572	5.7
172.44075	0.8
177.05479	3.8
179.07060	1.0
181.04958	100.0
189.05415	2.2
198.03101	1.1
205.04942	1.2
207.06554	2.9
208.05220	1.2
209.08000	4.3
221.08075	1.1
229.08394	1.0
231.06525	1.2
249.07581	2.6
277.07138	5.3
279.59674	0.7
293.08484	0.9
295.08212	1.1
304.80148	0.9
305.06558	22.9
315.08670	3.0
323.07587	2.5
325.09152	1.8
327.10880	1.1
330.11044	3.9
343.11743	1.1
357.11496	1.5
383.14908	3.3
401.10638	3.2
401.17334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28341	0.2
55.01875	1.0
57.03434	1.3
61.02912	0.3
69.03427	2.5
70.06578	0.4
70.84394	0.4
70.84805	0.3
71.01336	0.5
72.08146	0.7
73.02905	0.8
73.56627	0.2
79.54656	0.2
81.03404	0.4
83.04951	0.2
84.08133	0.2
85.02895	1.8
87.04450	0.3
94.04041	0.6
97.02886	2.4
103.03918	0.2
109.62047	0.2
110.09650	0.4
115.03919	0.7
119.03534	1.0
123.04391	0.3
129.76942	0.2
133.04980	0.7
135.04378	0.2
136.06181	100.0
137.04633	1.0
137.06606	1.0
157.05016	0.2
163.03906	0.9
170.33459	0.2
181.04922	0.3
199.35075	0.2
219.65324	0.2
226.22777	0.7
234.17773	0.2
247.56453	0.2
250.09346	0.3
251.09703	0.4
268.10406	6.6
369.86060	0.2
400.14743	2.8
400.24512	0.2
401.14618	0.2
411.13913	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	401.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72713	1.5
56.96562	14.8
58.38195	1.5
63.69593	1.5
65.62495	1.7
69.95555	9.8
71.95265	2.0
89.54047	1.7
98.97585	86.2
116.98624	100.0
118.98256	2.0
118.99071	2.5
134.99658	75.3
136.00029	2.9
138.10605	1.6
147.03169	1.6
147.81793	1.8
153.00710	14.8
172.94362	3.0
177.00972	1.8
190.95401	10.0
192.98816	2.4
208.96521	3.8
214.95480	1.9
216.98820	1.9
232.96490	10.7
234.96208	1.8
234.99860	5.3
236.99519	2.1
240.98798	3.4
250.97684	7.8
252.97736	3.1
256.96426	10.8
258.96838	3.5
258.99844	20.1
260.96014	2.5
260.99850	5.2
261.02991	2.8
274.97531	85.9
275.97855	12.1
276.97632	23.9
277.00876	51.1
277.97559	2.2
278.00943	3.7
278.97079	5.0
279.00815	9.2
283.00119	4.9
284.00064	1.8
284.99911	3.8
292.98550	87.3
293.98929	9.8
294.98663	13.4
295.98746	2.2
297.99075	2.6
300.97577	8.2
301.01080	14.4
302.01181	3.0
303.00916	9.8
316.00079	3.3
316.98987	3.2
317.99011	4.6
318.98642	22.1
319.98782	3.2
325.12869	1.6
336.99579	2.1
359.01590	2.6
376.98840	11.2
382.99857	2.0
384.80283	2.0
395.97342	1.6
400.00821	2.5
401.01376	8.9
418.98325	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80651	2.7
55.05509	24.2
57.07070	8.1
57.77873	2.8
67.05504	27.4
69.07072	23.6
69.47762	2.7
69.92713	15.7
71.04964	4.1
71.08628	2.7
79.05488	20.5
81.07063	54.3
83.04973	4.7
83.08609	10.4
86.75787	3.0
89.52934	3.2
91.05481	16.7
93.07047	58.1
95.08607	100.0
96.37163	2.6
97.10165	7.1
99.04459	6.7
101.06013	10.9
105.07020	30.6
107.08598	74.6
109.06515	5.6
109.10164	48.5
119.08572	38.3
121.10143	60.4
123.11713	14.4
131.08598	6.9
133.10135	29.4
135.08026	4.4
135.11685	68.3
137.13254	4.8
145.10120	4.8
147.11697	36.6
149.13234	30.2
153.09120	5.8
159.11690	12.2
161.13277	19.9
163.11217	5.5
163.14742	14.3
167.10745	2.9
173.13240	9.9
175.14812	11.7
177.12682	15.3
177.16365	6.1
181.12221	8.4
187.14738	4.0
189.12650	3.9
189.16425	18.7
191.14299	9.0
191.17967	68.1
193.12213	3.6
195.13792	20.0
203.17938	29.3
205.19623	6.4
207.13773	16.5
209.15416	25.0
217.19537	21.8
221.15169	4.6
231.57359	3.1
257.22736	4.1
259.38971	2.9
275.19928	3.8
305.20578	3.1
329.25055	3.7
399.20282	4.0
399.32654	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.144
Annotation	Piscerynetin
Peak:m/z	Relative Intensity
51.63831	0.5
55.05515	1.0
56.96555	1.8
57.03432	0.6
57.07040	0.6
59.58119	0.5
61.02915	1.2
63.15746	0.5
65.03930	0.6
67.05505	3.2
67.18929	0.5
69.03423	0.8
69.07056	1.5
69.50170	4.3
69.50578	0.8
73.02921	0.7
75.66551	0.6
78.61056	0.5
79.05490	1.5
81.03407	1.6
81.07041	2.0
85.02895	0.8
91.03969	0.6
91.05469	1.1
91.18139	0.5
93.07042	1.3
95.08617	1.5
97.02873	1.4
97.10179	0.6
98.97585	0.6
105.07027	1.1
107.08607	0.6
109.10186	1.0
119.08569	1.3
127.03042	0.5
133.10144	0.7
134.03600	1.7
147.04472	0.8
182.60281	0.5
211.13286	0.6
215.07054	1.3
217.05167	1.2
221.04272	0.5
226.06256	0.7
232.07246	0.7
235.05949	3.3
237.05412	0.7
239.07033	0.8
242.08980	0.5
250.08536	0.9
251.07161	0.7
261.08884	0.7
267.06519	1.3
267.09155	0.8
269.07959	0.7
269.10583	0.8
277.08707	1.0
281.04733	0.7
282.05280	6.0
285.10178	2.3
286.10562	1.1
291.10147	1.5
292.10846	0.9
295.06161	0.7
295.09445	1.0
297.07568	7.0
298.04739	1.3
305.08127	0.7
309.07764	0.7
309.11273	1.6
310.12128	0.6
311.09079	0.6
312.06314	8.5
313.06989	2.1
315.08795	0.7
321.11349	0.9
323.09189	1.3
324.06317	2.6
325.06992	3.8
327.08624	25.2
327.12601	1.2
328.08856	0.6
331.09631	0.9
335.09058	1.5
336.06332	2.1
337.06992	1.1
338.07910	1.0
339.08551	3.7
339.12122	0.8
340.09015	0.6
341.10339	1.0
343.08331	0.8
347.09213	1.2
348.10001	4.1
349.10693	1.7
349.16785	1.4
350.17621	1.1
351.08652	9.8
353.10303	1.3
363.12265	5.4
365.10236	1.5
366.10983	16.5
381.13345	100.0
382.13718	6.7
399.14435	2.7
399.24307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1437
Annotation	Ebenfuran VIII
Peak:m/z	Relative Intensity
55.01852	0.5
55.05482	0.5
57.07042	0.4
67.05517	1.7
69.03385	0.6
69.07016	1.0
69.87874	1.3
69.88300	0.5
77.80865	0.3
79.05447	1.1
81.03421	1.3
81.07066	1.7
83.04963	0.4
84.08121	0.4
85.02887	0.4
85.06507	0.4
91.05455	0.6
93.06998	1.3
93.58785	0.3
95.04926	0.6
95.08558	0.9
97.02873	0.7
97.06489	0.6
97.10139	0.3
97.33964	0.3
98.20840	0.6
98.97566	0.3
105.06987	1.2
107.04890	0.3
107.08528	1.0
109.02818	0.4
109.10081	0.8
117.06954	0.4
119.08533	1.0
121.02827	0.7
121.06519	0.3
121.10124	0.6
123.11740	0.4
126.45715	0.3
133.10104	0.5
134.03618	4.0
135.04427	0.3
135.07964	0.3
137.05833	0.3
143.05652	0.4
147.11639	0.4
149.02365	1.4
149.05960	0.4
149.09587	0.6
151.03883	1.0
153.07002	0.3
159.11789	0.3
165.06969	0.3
167.03435	0.4
167.07007	0.4
181.05013	0.3
181.06476	0.8
197.05978	0.5
198.06660	0.5
209.05991	0.6
211.03931	0.3
213.05490	0.5
225.05519	0.5
226.06340	1.9
235.06100	0.5
237.05479	1.9
241.04944	0.5
250.09090	0.4
253.05009	0.3
254.05669	1.1
255.06566	1.0
265.05060	0.5
269.04526	0.7
269.07910	0.6
275.10187	0.4
281.04416	1.0
282.05228	14.8
283.05835	1.1
284.06772	1.4
285.07275	0.3
287.05484	0.6
297.03940	0.9
297.07565	18.1
298.07849	0.8
300.06186	0.4
311.05368	0.7
312.06277	15.9
313.06781	1.1
315.08673	1.7
323.09106	0.4
324.06207	0.6
327.08621	100.0
328.09027	4.6
339.08679	1.2
339.12457	0.3
348.09924	0.5
351.08575	1.0
363.12317	0.7
366.10803	1.6
381.08377	0.6
381.13309	10.0
382.13446	0.6
399.14417	28.3
400.14334	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
56.05036	3.9
56.96553	0.9
57.03424	1.5
57.07072	0.8
61.01134	1.1
69.03430	4.2
69.55196	1.3
69.55608	3.0
70.06583	1.2
72.08154	1.0
74.02434	0.9
74.06075	1.4
75.02735	0.6
84.04479	0.8
84.08131	0.6
85.02909	4.2
86.09707	0.6
91.05461	0.7
97.02890	18.7
98.20744	0.9
98.97559	0.6
99.04459	0.6
102.05527	6.9
110.06030	1.8
111.04402	0.9
116.07137	0.6
116.98645	1.1
123.04400	0.8
127.03888	0.8
134.06023	0.7
135.04390	0.8
136.05136	1.2
136.06177	20.8
143.00145	0.5
145.03136	0.9
146.05997	10.3
147.06567	0.7
148.03931	4.0
148.07570	0.7
150.05524	0.7
150.25645	0.6
158.06026	0.8
160.07568	2.4
161.07117	2.8
162.05487	1.6
163.03949	2.3
167.40283	0.5
173.07106	7.1
174.05513	5.5
175.08679	2.0
185.07117	1.1
186.99226	0.6
188.07065	1.4
190.04991	0.7
191.08160	6.2
197.07054	0.8
199.08649	1.6
201.06601	1.1
202.04968	0.6
215.08031	1.3
216.06601	0.8
219.07643	13.0
225.06435	0.6
229.49638	0.6
231.07451	0.7
233.09290	2.6
237.02490	0.7
237.08720	9.0
241.02168	0.6
243.07617	1.5
247.07048	0.6
250.09360	21.0
255.03510	0.9
261.08670	3.3
264.09003	0.6
279.09842	5.4
297.04529	0.6
298.09686	3.6
339.05145	0.6
357.06598	1.6
363.11880	1.6
364.10287	0.7
381.12283	5.3
393.08865	0.6
399.12622	100.0
400.12897	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98660	0.4
56.96298	0.6
56.96566	9.1
57.97330	0.4
71.58539	0.4
71.95283	1.4
76.85349	0.3
96.22318	0.3
98.97586	49.8
109.66516	0.2
116.98624	55.7
117.98974	0.3
119.01973	0.3
130.93307	0.7
134.99663	45.7
140.00221	0.6
148.94341	0.4
153.00716	8.9
155.38992	0.3
158.01253	1.4
172.94348	2.1
173.22935	0.3
174.97560	0.3
177.00972	0.6
190.95424	4.6
192.98744	0.8
197.95218	0.5
208.96513	2.7
214.95508	1.0
216.98639	0.4
232.96477	7.1
234.99831	1.4
240.98749	0.4
241.94070	0.4
250.97556	7.0
251.97577	0.3
252.60051	0.3
253.00935	0.3
256.96426	12.6
258.99820	3.1
259.99902	0.4
261.00079	0.4
261.03040	0.8
262.03305	0.4
274.97525	100.0
275.97830	1.2
276.97858	0.7
277.00858	6.1
278.01031	0.6
279.00974	0.4
283.00024	1.4
292.98566	92.4
293.98889	1.1
294.99057	0.5
297.99078	3.5
298.97757	3.9
299.97675	0.5
301.01071	4.0
302.01202	0.6
303.00784	0.7
310.99582	1.2
314.95520	0.3
316.00223	2.1
316.98795	10.4
317.98846	1.3
318.98865	0.4
319.02353	0.5
334.99805	0.7
356.98566	1.2
357.03391	0.5
374.99301	5.9
375.03751	0.4
393.00558	0.8
398.97617	1.2
416.98804	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	398.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
55.05505	0.9
56.96566	1.2
57.03442	2.7
57.03662	0.5
60.05639	0.6
62.43652	0.5
67.05495	1.0
69.03428	2.5
69.07060	1.6
70.06592	2.7
70.33193	2.2
71.01342	1.2
71.04974	0.8
72.08154	2.1
73.02918	1.1
73.06540	0.9
79.05504	0.7
81.03406	1.2
81.07040	0.9
83.04964	0.8
84.04507	1.0
84.08124	1.6
85.02901	3.8
86.09702	1.4
91.05479	2.1
93.07037	0.9
94.06583	0.9
95.01294	0.5
95.04959	0.8
95.08608	0.8
96.08060	0.5
97.02891	2.0
98.97597	1.3
103.05490	0.6
105.07021	0.7
106.41966	0.5
107.04963	1.0
107.08584	0.7
108.08064	1.1
109.02847	0.4
110.06007	0.5
110.07166	1.2
113.02367	3.2
114.32800	0.4
115.03902	0.7
115.07547	0.6
116.07054	0.6
116.98619	1.0
119.03557	0.6
119.04935	1.5
120.08092	0.8
122.06030	0.4
122.09675	0.9
124.07599	1.1
126.09179	0.7
127.03936	0.8
131.04904	1.7
132.04430	1.6
134.05940	0.5
135.04440	0.7
135.06647	1.9
135.11671	0.7
136.06186	12.8
136.07324	0.6
137.04546	0.9
138.09181	0.7
142.87547	0.4
143.05699	0.9
145.02818	1.1
146.04617	1.0
147.04385	1.7
150.07730	0.6
150.12730	0.9
160.06198	1.1
161.04601	1.5
162.07745	33.3
163.03920	1.8
164.07050	0.6
166.12273	0.5
167.06987	0.5
175.03824	0.7
177.05441	2.6
178.07239	1.7
178.08652	0.8
179.38655	0.5
180.13881	0.5
188.05663	29.2
189.05611	0.5
191.15466	1.7
192.17477	1.3
204.08701	0.5
206.06714	20.3
207.06624	2.0
210.18506	1.9
216.05132	0.6
218.08243	0.5
220.08287	7.6
235.18094	1.3
236.12811	0.7
236.20093	0.8
248.07681	2.7
254.17580	0.8
254.21143	1.2
266.08835	100.0
267.09070	1.5
277.15469	1.1
347.83267	0.6
354.20178	1.6
354.24048	1.1
398.13062	25.7
398.22708	3.1
399.13522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.03955	1.1
55.01873	2.6
57.03426	1.7
65.03951	1.2
67.05504	2.8
69.03444	4.3
69.07056	1.2
70.06602	1.5
71.60535	1.7
74.52021	1.0
79.05502	2.7
81.03418	2.9
81.07052	3.8
83.05014	1.6
84.08167	1.6
85.02911	5.2
86.09698	1.4
91.05486	13.0
93.07068	3.0
94.04201	2.1
95.04987	3.0
95.08601	2.2
97.02903	1.5
97.06532	1.8
103.05466	3.1
105.07042	5.0
107.05006	1.5
107.08607	3.0
109.02862	1.3
109.06550	1.9
109.10194	1.2
115.05469	2.4
117.07053	2.0
119.04926	7.1
119.08575	2.4
121.06541	1.8
121.10172	2.9
122.03640	9.1
122.06029	2.6
123.08106	1.4
124.05225	1.1
127.03971	3.1
128.04611	3.6
128.06264	3.4
129.07001	6.5
131.04948	2.9
131.08566	6.3
133.10187	2.3
135.04462	2.1
135.08047	1.3
136.05237	1.4
137.05981	98.5
141.07050	4.9
142.07825	2.6
143.05667	3.9
143.08591	2.5
144.05711	2.9
145.04977	3.0
145.06522	2.2
145.10062	1.8
146.03633	1.2
146.06032	2.1
146.07188	1.3
147.04361	5.2
149.05998	5.2
149.09648	1.9
151.03920	1.3
151.07549	12.4
152.06236	1.5
153.06973	2.7
154.07767	1.9
155.08553	4.3
156.09229	1.4
157.06523	4.4
157.10117	2.6
158.07330	3.2
158.37852	1.1
159.08083	6.3
161.05998	15.5
161.09694	4.8
163.07617	2.8
165.07019	4.5
165.09137	1.1
166.12300	1.5
167.07095	1.8
167.08594	3.2
168.05862	1.3
169.06557	3.0
170.07254	2.6
171.04414	1.4
171.08028	5.2
172.08884	4.8
173.06033	1.5
173.09590	2.3
175.04056	1.4
175.07491	5.3
177.09192	1.0
179.07060	1.9
181.05103	1.3
181.06607	3.6
182.07330	7.2
183.08081	5.7
184.05225	1.7
184.08890	3.3
185.06026	3.0
185.09607	7.5
186.06848	3.0
187.07545	6.1
187.11221	1.9
188.07089	1.6
188.08560	1.3
189.09178	3.3
189.12782	1.1
191.07028	7.0
194.07310	1.6
195.08105	3.3
197.06084	1.9
197.09544	9.4
198.06767	16.8
199.07591	9.3
199.11284	1.4
200.08310	2.6
201.09125	6.5
202.07780	1.7
203.10602	1.7
205.08656	2.7
209.09674	1.1
210.06859	3.5
210.14948	2.1
211.07468	5.0
212.08389	4.2
213.09109	23.2
214.09705	1.1
215.08694	2.4
215.10500	6.9
217.08527	2.1
217.10370	1.9
217.12244	1.3
217.15855	6.1
218.07248	1.5
219.08157	1.3
224.08414	1.1
225.09097	11.9
227.10741	2.6
229.10300	2.0
231.08257	2.4
231.10277	1.9
233.09622	2.6
235.07742	1.8
242.09525	1.6
243.07907	1.9
243.10126	19.0
245.09723	4.1
245.11821	1.5
246.10406	1.4
247.07750	2.5
247.11032	1.2
248.08389	3.1
249.09120	1.8
255.10185	8.2
257.09714	3.3
258.06827	1.4
258.10538	1.8
259.07657	2.6
260.08328	3.1
260.14011	1.8
261.09183	5.0
262.06174	1.2
262.09949	1.6
263.07333	2.2
263.10782	2.7
264.07971	2.8
265.08725	4.1
269.10004	1.6
271.07581	2.5
273.09036	2.9
273.11273	61.0
274.09775	2.1
275.07266	1.2
275.10806	3.2
276.07883	3.7
277.08755	5.2
277.12296	1.8
278.09479	3.3
278.12500	1.9
279.06534	1.1
285.09164	3.4
286.09891	2.1
287.07166	2.3
287.10562	1.5
288.07901	2.8
289.08701	5.3
289.11874	1.9
290.09366	3.2
291.10196	8.0
291.12973	1.3
292.07388	4.0
292.10797	2.9
293.08206	3.5
293.11810	3.8
295.09897	1.2
299.10773	1.2
301.08694	4.0
302.09476	2.7
303.10199	6.5
304.10764	1.9
305.08530	1.9
305.11761	6.6
306.09039	2.5
307.09579	12.5
307.12708	1.3
308.10385	5.9
309.11188	1.8
315.10220	1.1
317.08282	2.0
317.11584	7.6
318.12421	1.3
319.09729	4.2
319.13461	3.0
320.10522	3.5
321.11221	8.4
322.11758	1.7
323.12701	2.5
325.10718	2.3
329.11765	2.0
333.11307	4.1
334.12177	2.4
335.12772	6.4
336.13721	5.1
337.14444	1.9
339.12335	4.7
346.12341	1.2
349.14380	6.3
351.12262	19.6
353.13873	3.8
354.14621	25.5
355.15161	1.7
361.14551	4.0
365.14246	1.2
366.14816	1.7
367.15314	5.2
379.15414	15.9
397.16553	100.0
397.21655	16.8
398.16949	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	397.091
Annotation	4'-O-Demethyldehydropodophyllotoxin
Peak:m/z	Relative Intensity
50.43915	0.1
53.03921	0.4
53.62832	0.1
55.01866	1.6
55.05483	0.1
57.03438	1.2
59.61720	0.1
65.03908	0.5
67.01837	0.3
67.05476	0.3
68.99779	1.4
69.03417	0.8
70.06551	0.2
71.60164	0.1
71.60545	0.2
72.08126	0.2
73.74194	0.1
79.01830	0.3
79.05458	0.4
81.03416	1.5
81.07022	0.3
83.01334	0.2
84.08105	0.2
84.75271	0.1
85.02441	0.2
85.02905	2.9
86.09673	0.2
91.04961	0.2
91.05473	2.3
91.21540	0.1
92.99759	0.3
93.03386	0.2
93.06990	0.2
95.03977	0.1
95.04929	0.5
97.02886	1.0
103.05449	0.3
105.03350	0.3
105.06992	0.3
107.04946	0.4
107.08598	0.1
109.02872	1.8
109.06493	0.2
111.04424	0.3
115.05441	0.5
119.04131	0.2
119.04943	4.3
121.02861	11.6
121.06467	0.3
121.10012	0.1
123.00784	0.2
123.11693	0.1
127.03886	0.2
131.04933	1.5
131.08533	0.1
133.02809	0.2
135.04420	0.6
135.08029	0.2
136.06154	0.4
137.02295	0.6
137.05972	0.7
138.06953	0.1
139.07710	0.1
141.01825	2.9
145.02831	3.7
145.06445	0.2
147.04388	1.0
149.02351	0.6
149.05948	0.2
151.03857	0.2
153.01775	0.4
156.09329	0.1
159.04422	0.9
159.86627	0.1
161.02333	0.3
161.05988	0.3
162.04070	0.6
163.00215	0.4
163.03896	3.3
165.01823	13.4
166.02292	0.2
167.03380	1.3
169.02844	0.6
171.02939	0.2
171.04417	0.3
171.08022	0.1
173.02312	0.2
175.03905	0.5
177.01837	0.4
177.05452	1.8
179.03313	0.8
181.01320	0.2
181.04936	0.7
183.02885	12.2
184.03351	0.1
187.03922	2.9
189.01776	0.9
190.02602	0.5
190.99741	0.4
191.03360	0.9
193.04912	0.4
194.02089	0.1
195.02902	0.2
195.06473	0.2
197.00774	0.4
198.06721	0.2
199.03952	0.2
202.02567	0.2
203.03372	1.0
205.01105	0.1
205.04939	2.9
206.05339	0.1
207.02919	1.2
207.06390	0.2
208.03622	0.5
209.00766	0.7
211.07703	0.1
213.05522	0.3
213.09077	0.2
215.03392	1.0
217.05045	0.2
221.04405	0.7
223.05933	0.3
227.07034	0.2
229.05016	1.0
231.02882	0.7
231.07941	0.2
233.04472	1.8
239.07042	0.3
242.05699	0.5
243.02962	0.8
243.10358	0.2
249.03912	0.8
249.08974	0.2
253.04950	0.2
253.08600	0.2
254.05815	0.3
255.06476	1.0
261.03906	1.4
263.06940	0.2
265.08545	0.2
266.05713	0.2
267.06519	3.8
267.09586	0.1
269.04422	0.3
270.05151	1.5
271.06000	7.9
272.06375	0.2
273.03909	0.5
273.11194	0.4
277.08606	0.6
278.09134	0.1
278.12479	0.5
279.06497	3.0
280.07074	0.6
281.04565	0.6
281.08063	4.2
282.05386	0.2
282.08453	0.2
283.05994	100.0
284.06464	4.0
289.08591	0.5
291.06403	0.3
293.07974	1.6
294.05115	0.4
295.06012	6.8
295.09625	6.2
296.06494	0.3
296.09915	0.2
297.03928	1.5
297.07559	4.7
299.05441	0.2
303.06549	0.3
305.08066	5.4
306.08499	0.2
307.05994	4.6
307.09134	0.2
308.06781	4.6
309.03900	3.8
309.07550	9.2
310.04547	0.2
310.07840	0.3
311.05548	1.7
311.08951	0.3
313.07056	3.2
320.06616	0.6
320.14102	0.2
321.07562	6.2
322.08105	0.4
323.09106	33.9
324.09390	1.2
325.07138	0.7
331.05920	0.2
333.07535	6.3
334.07932	0.2
335.05472	1.2
335.09155	0.3
336.06314	0.5
337.07040	5.0
338.07300	0.3
339.08652	0.2
349.07050	25.8
350.07367	1.0
351.08612	8.8
352.08786	0.2
353.06412	0.3
361.07047	12.2
362.07440	0.4
365.06503	0.2
367.08115	7.9
368.08444	0.2
370.71030	0.1
379.08118	25.4
380.08469	0.9
397.09164	33.8
398.09363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.05514	3.5
56.96556	2.2
65.03931	4.6
66.31186	1.5
66.60036	1.3
67.05490	6.5
68.99795	2.7
69.03436	3.2
70.06574	1.9
71.59230	2.1
79.05497	3.9
81.03432	2.1
83.04981	15.2
84.04498	4.5
84.08128	1.4
85.02902	5.0
86.09684	1.6
89.03912	5.6
91.05479	4.7
93.03391	3.6
95.04971	16.5
96.05308	1.4
101.06048	1.5
103.05477	5.2
105.07015	3.8
106.06570	2.8
107.04953	9.1
111.04425	14.8
115.05454	10.6
117.03373	3.7
119.04930	2.9
120.08092	7.8
123.04467	8.1
127.03912	2.0
129.05470	4.5
130.06512	4.9
131.04927	12.8
132.04445	2.2
132.08119	2.3
133.02855	8.7
133.05276	2.1
133.06494	7.9
134.03624	1.8
134.06003	3.4
135.04414	18.2
136.03928	3.5
137.06003	2.3
139.03893	6.5
143.04958	10.2
145.02863	5.6
147.04433	3.4
148.03932	1.6
148.07564	17.2
149.05945	4.1
149.33948	1.3
150.05489	1.6
150.09166	4.5
151.03934	6.8
152.07068	2.7
157.05020	2.9
158.06021	6.2
159.04442	14.7
160.03865	3.0
160.07582	3.0
161.02397	3.1
161.05997	19.8
162.05504	22.3
163.03911	57.5
165.05513	2.2
175.06075	1.8
176.07072	80.7
177.05498	5.6
177.07469	2.9
178.05022	6.0
178.08629	26.9
179.03323	8.2
186.05496	2.9
187.03905	30.4
194.08115	3.8
204.06567	100.0
205.05070	3.2
205.06802	1.7
220.06229	1.6
222.04243	2.7
222.07620	66.7
234.09758	2.9
273.02725	1.8
337.09412	1.5
341.06055	1.4
350.12357	5.5
378.11795	6.3
396.12906	76.5
397.11221	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	395.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58065	4.8
55.05502	17.1
67.05493	23.0
67.29025	4.8
69.03431	27.6
69.07054	17.3
70.06596	100.0
70.96209	16.3
71.04977	8.1
71.06927	11.5
72.08131	9.0
79.05489	10.2
81.03403	16.7
81.07059	50.2
83.04973	19.3
83.08621	19.6
84.08125	17.7
85.02898	18.3
85.06561	6.3
86.09698	7.6
91.05473	14.6
91.63925	5.1
93.07039	23.5
95.04954	13.8
95.08611	68.5
97.02875	10.5
97.06555	11.2
97.10182	7.2
99.04430	9.5
99.08097	6.8
101.09639	8.9
105.07059	25.7
107.04989	5.9
107.08586	26.0
109.02878	10.1
109.06506	7.3
109.10160	56.0
111.05564	6.1
115.08703	6.8
116.07042	9.9
117.07004	8.7
119.08552	20.6
120.08131	13.1
121.10140	13.3
122.06049	5.3
123.04321	5.5
123.11726	44.3
127.03880	15.0
129.07034	6.2
130.06519	8.8
131.08542	12.3
133.10120	14.1
133.23207	4.8
135.08047	12.8
135.11725	5.3
137.05974	14.6
137.09622	11.6
137.13315	7.1
143.05673	10.1
143.08588	6.6
145.06451	12.2
145.10135	22.5
147.04388	13.0
147.11713	12.1
159.11760	11.7
163.07538	7.1
163.11121	11.6
167.07014	6.7
172.46700	5.2
173.09540	5.9
173.13252	6.1
174.03922	6.0
175.03990	5.3
175.07452	6.3
177.05446	9.2
179.17958	44.3
185.09721	6.0
187.11102	8.9
191.07030	11.5
191.10628	9.5
197.18970	27.4
201.12686	6.7
215.20030	25.4
233.11571	11.8
235.02048	5.6
277.22217	5.3
282.10776	6.1
395.07458	7.7
395.13232	24.8
396.24982	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	395.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57211	1.5
56.05028	2.6
56.96569	3.2
67.05484	4.9
68.01452	1.8
68.99789	1.9
69.03424	4.1
69.07056	4.6
69.81541	6.0
69.81952	3.7
70.06579	6.7
72.08136	2.2
74.06078	3.6
79.05479	2.7
80.05028	2.0
81.07043	1.7
84.04488	3.2
84.08142	4.7
85.02914	8.3
86.09689	3.0
91.05481	4.8
93.07037	3.3
94.06564	19.4
95.04952	5.1
96.04511	2.1
97.02852	2.3
98.06014	2.3
98.20800	2.4
98.97579	2.6
108.04446	2.7
109.02863	1.9
109.06499	1.8
109.56372	1.9
110.06022	4.3
111.04489	2.0
111.08082	3.8
112.03982	1.8
112.07613	3.0
116.07107	3.5
120.08114	4.3
121.06522	2.0
122.06026	33.8
123.04439	3.4
123.06841	2.4
124.07576	3.6
127.03963	2.0
134.09647	2.9
135.04393	3.3
136.04004	2.4
136.07593	8.0
137.05942	4.3
139.03958	2.1
140.07065	41.5
143.05634	18.8
145.02829	3.5
147.04425	4.6
154.04991	70.7
154.08633	35.3
161.05991	2.0
162.09171	11.1
163.03870	5.2
176.07060	5.6
177.05498	3.0
178.04974	38.3
180.10153	10.5
185.04170	3.8
190.08643	2.5
199.52873	1.9
200.07111	2.2
204.06557	3.6
206.04494	46.4
208.09694	64.9
210.04030	2.0
210.07597	3.9
232.07108	7.9
233.07813	9.9
233.14917	2.4
238.07083	18.2
256.08148	8.1
258.07562	2.1
275.16040	2.5
314.85388	1.7
338.21805	1.9
345.10760	6.1
346.09048	2.1
363.11874	17.4
377.13614	2.2
395.13120	100.0
396.13159	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	395.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.5
53.03944	1.7
55.01873	2.3
55.05508	3.7
56.05053	1.4
56.09950	1.2
56.96558	4.2
58.06589	4.0
59.04973	1.3
62.06089	2.1
63.07526	1.2
65.03927	2.6
67.05523	7.1
68.05028	3.1
69.03439	4.7
69.07068	9.8
70.06593	8.2
70.69344	2.9
72.08192	2.7
76.01679	1.3
79.05491	2.2
80.05025	5.1
81.03423	3.2
81.07043	2.2
82.06583	3.2
83.05007	2.3
83.08621	3.2
84.04502	3.7
84.08150	3.8
85.02917	3.9
85.06560	1.7
85.94825	1.1
86.06073	7.4
86.09715	4.6
91.05483	5.8
92.05067	1.4
93.05775	3.1
93.07041	4.6
94.06574	41.1
95.04443	1.5
95.04961	7.5
95.08599	2.5
96.04475	2.5
97.02896	1.8
97.06511	2.7
98.06056	3.2
98.97595	1.4
100.07620	1.5
107.04919	1.4
108.04484	3.5
109.02879	2.6
110.06042	5.5
110.07145	1.8
111.04427	2.2
111.08071	1.7
112.07616	5.9
116.98646	2.3
119.04957	3.9
120.08065	2.9
121.06508	1.6
122.06033	73.6
123.04443	4.5
123.06774	2.0
127.03911	2.3
128.07045	1.6
134.05975	1.6
134.09656	1.8
135.04420	1.3
136.03966	3.6
136.07596	6.6
137.02313	2.3
137.05989	2.3
137.19580	1.3
138.05487	2.6
140.07076	76.8
143.05632	5.4
146.99664	1.6
147.04407	6.3
148.07596	2.3
150.05560	2.2
151.06360	1.4
152.07098	1.9
154.05000	100.0
154.08612	16.0
155.03435	2.9
161.06023	1.9
162.05490	1.9
162.09158	9.3
163.03957	1.4
163.07503	2.3
163.08717	1.9
166.73900	1.3
176.07123	2.4
177.05446	1.7
178.05008	51.5
180.10121	6.9
182.04390	1.7
189.10248	1.4
190.08647	2.7
201.00749	1.3
204.06570	2.6
205.07326	13.4
206.04501	51.9
208.06651	1.5
208.09698	33.9
210.07587	3.5
210.18576	3.6
215.18347	2.6
221.06735	2.1
222.07620	1.6
224.05542	5.1
226.31833	1.3
230.08295	1.9
232.18953	2.2
233.19519	2.7
238.07111	21.8
242.06569	2.2
256.08167	63.3
269.03329	2.2
290.17990	1.6
291.13391	2.0
293.11404	4.3
302.39655	1.2
317.11307	1.8
345.10858	6.8
346.09024	1.7
358.01596	1.6
363.11877	7.4
367.08127	2.1
377.13278	4.4
378.11865	2.0
395.07718	5.2
395.13712	9.7
395.25104	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25518	7.1
83.01658	1.6
86.88667	1.6
94.34037	1.5
98.21394	2.3
112.89600	33.4
114.89348	11.5
116.89143	1.8
195.10724	1.8
214.94826	5.5
242.96585	3.9
302.96506	2.9
347.39560	2.1
355.38751	2.0
395.01593	2.7
395.09500	100.0
396.09970	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
56.96540	0.5
67.05485	0.6
69.03422	0.8
70.06583	1.2
70.94373	1.0
72.08147	0.5
77.89030	0.3
81.07075	0.5
84.08136	0.8
85.02898	0.7
94.06555	0.8
95.04948	0.4
95.76621	0.4
97.02921	0.6
100.74992	0.4
101.69018	0.4
110.06036	0.5
122.06036	1.8
133.06578	0.5
137.02287	0.5
138.25034	0.4
140.07065	1.1
147.04393	1.2
154.05063	0.4
163.03864	0.4
167.07054	0.4
185.04239	4.8
206.04491	0.4
206.48949	0.4
217.04799	1.2
223.96674	0.4
232.07051	12.2
233.07834	8.2
256.08093	3.4
334.10315	0.4
334.14340	0.4
337.47693	0.4
364.11252	2.4
365.12045	1.1
367.08127	0.5
395.13120	100.0
396.13626	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50523	5.4
56.96562	15.2
64.27935	6.2
69.03405	8.4
70.06606	8.6
71.60450	9.1
73.15516	5.9
74.73006	5.8
81.07065	7.7
84.96014	9.4
88.77155	5.7
91.05476	11.4
96.91039	5.7
98.97592	37.3
100.03954	7.5
116.98625	21.0
127.04008	6.4
128.98599	13.9
134.99634	8.0
136.07578	7.7
143.05600	7.4
146.99672	16.6
152.98543	5.9
158.99698	16.3
161.01225	12.7
162.99025	6.4
177.00720	13.3
207.03351	5.9
219.01839	16.9
237.02763	38.6
309.06525	24.7
314.81650	5.7
316.97894	6.4
327.07556	100.0
369.08475	8.3
395.07373	45.6
395.11954	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	394.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.2
56.96574	0.5
57.07062	1.1
61.02900	0.6
61.30890	0.4
65.03934	0.7
67.05503	2.1
69.03426	1.3
69.07070	3.3
70.06304	0.4
70.06596	5.0
70.72710	0.4
71.60444	0.7
76.53973	0.5
79.05506	2.4
81.03413	0.9
81.07045	5.0
83.04958	0.5
83.08621	0.7
84.08168	0.6
85.02898	0.9
86.06068	1.8
86.36523	0.5
87.04466	5.6
88.07646	1.2
91.05496	2.1
93.07043	4.5
95.04947	0.8
95.08618	2.5
97.30673	0.5
98.06051	7.8
102.09150	1.0
105.07018	2.7
107.08594	3.9
109.06496	0.9
109.10156	1.2
116.07095	1.1
117.07027	0.5
119.04947	0.5
119.08565	3.0
121.10152	1.8
124.07555	0.8
131.08566	0.9
133.10121	3.8
134.09671	0.8
135.08119	0.5
135.11664	1.3
137.13322	0.5
142.07747	0.7
147.04420	0.9
147.11737	1.6
149.02354	6.2
149.03473	0.8
149.13231	1.5
152.10733	0.7
158.10329	0.5
159.11778	0.5
161.13266	2.5
162.12762	2.6
163.14763	1.2
164.14432	0.8
173.00894	0.4
175.14848	0.8
177.16360	0.5
178.15947	0.9
184.13348	0.8
192.10327	0.6
193.04979	7.9
194.11926	0.5
196.72095	0.5
205.19545	1.1
215.10733	0.6
217.19583	1.1
228.23254	3.3
245.21265	0.5
248.16432	6.4
250.18109	2.1
264.19644	3.2
271.14063	0.6
296.11841	0.5
308.12997	0.9
308.25754	0.9
324.21735	0.9
362.27063	0.9
394.29611	100.0
395.11313	0.6
395.29828	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.9
55.01873	10.1
55.05492	5.4
56.96550	19.2
60.04505	6.6
65.03915	6.5
69.03425	18.6
70.06593	11.9
71.59370	7.4
72.08153	8.8
72.89408	5.6
75.95655	5.0
81.03411	11.6
83.04989	11.6
83.16478	5.4
84.04503	11.3
84.08151	7.7
85.02912	39.2
89.03897	5.9
91.05470	17.0
95.04967	10.4
97.02870	16.0
98.09651	5.6
98.97587	28.3
107.04966	10.1
109.02869	6.4
111.04432	10.9
112.07574	5.5
114.05509	18.0
116.98627	29.6
119.04950	37.9
120.08089	5.9
123.04457	6.5
124.14288	5.0
127.03953	10.0
128.98651	7.0
133.02881	6.6
134.99638	13.1
135.04410	15.4
135.40842	6.1
137.05968	100.0
139.03914	8.5
145.01648	6.4
146.06012	8.4
146.99625	9.1
147.04413	74.7
149.04582	12.6
152.49348	5.5
155.03438	6.6
158.99634	7.7
162.03119	7.7
163.03975	26.5
166.07242	86.1
167.07050	9.8
174.05499	8.7
174.34398	5.6
176.07079	11.7
177.00734	15.4
177.05533	7.3
179.07047	63.0
189.03955	7.7
197.08090	20.0
202.05003	24.3
219.01805	15.6
222.56702	6.6
236.59523	5.1
237.02753	31.1
301.28674	5.1
309.08524	18.0
394.11389	7.7
395.08902	9.1
395.13486	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	394.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.6
53.24567	0.8
55.01871	6.4
55.05282	0.8
55.05512	7.4
56.96566	1.0
57.03443	6.7
57.07069	0.9
61.02920	5.4
67.05482	3.6
68.99787	2.8
69.02853	0.9
69.03423	38.6
69.07065	44.9
71.04997	4.5
71.13050	1.8
72.01575	0.7
73.02910	5.7
79.05486	1.5
81.03413	25.7
81.07046	3.6
83.01311	1.0
83.04958	1.2
85.02901	100.0
87.00824	42.7
87.04435	0.9
91.03985	0.8
91.05466	3.3
93.07024	2.9
95.04938	1.7
95.08601	1.8
97.02886	37.2
97.03515	1.9
97.06549	1.3
99.04445	12.3
103.03959	1.7
105.01862	77.3
105.07000	1.5
107.04932	1.3
107.08589	1.6
108.04453	2.8
109.02876	23.3
109.10126	1.9
111.11711	7.2
115.03913	2.0
117.01846	2.2
117.06966	0.9
119.04925	2.4
119.08598	0.8
120.08116	1.2
121.06526	0.8
121.10149	1.0
121.76932	0.7
122.05994	1.0
123.02923	0.8
123.04445	1.2
127.03914	74.0
128.04280	1.0
129.01811	2.9
131.08604	1.1
135.11737	1.0
136.06213	1.1
137.05988	1.0
145.04951	35.7
145.10098	1.8
147.02898	2.7
147.04393	7.4
157.10069	0.9
159.02893	10.7
171.02928	1.4
172.59982	0.8
173.13368	0.9
175.07564	0.8
177.03912	1.0
177.05435	1.3
189.03931	2.7
195.13913	1.0
201.10286	1.3
213.03934	3.0
219.13811	1.6
231.04956	21.4
246.40422	0.9
248.07698	1.5
249.06035	9.8
255.15881	0.9
288.76144	0.8
291.41321	0.8
348.64038	0.9
357.11252	0.8
394.34723	1.1
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
53.03945	7.3
55.01863	3.7
55.05507	24.1
57.03436	4.0
57.07072	15.7
64.36382	2.9
65.03935	5.0
66.04184	2.8
66.71605	3.0
67.05504	44.9
67.38681	2.8
67.45697	2.5
69.03421	6.9
69.07069	24.0
69.34310	15.9
69.34733	15.2
71.04993	4.8
71.08624	4.8
71.16920	2.5
72.32985	2.6
79.05489	36.9
81.03429	4.1
81.07056	65.9
83.05010	5.6
83.08620	10.3
85.06532	4.4
85.09554	2.7
85.10195	3.1
91.04964	5.4
91.05484	67.0
93.07040	89.3
95.04967	64.3
95.08604	61.7
95.09171	5.1
97.06538	10.8
98.98473	12.3
103.05485	3.8
105.07027	100.0
107.08599	56.0
109.06512	21.3
109.10147	26.4
111.08109	3.2
115.05466	6.2
117.07015	23.9
119.05000	3.4
119.08583	96.9
121.06490	25.9
121.10141	45.0
123.08041	9.9
123.11724	12.2
125.66798	3.0
128.06226	14.1
129.07027	15.2
130.07785	7.2
131.08572	50.8
133.06476	3.5
133.10120	62.8
135.08006	6.8
135.11679	24.7
137.09698	3.8
141.07004	6.6
142.07771	25.6
143.08566	41.4
144.09341	11.0
145.06516	6.0
145.10121	68.9
147.08020	5.2
147.11679	28.2
149.09619	3.5
149.13255	4.2
155.01068	17.2
155.08559	16.9
156.09370	12.6
157.10123	70.1
158.10918	7.2
159.07982	4.0
159.11678	44.1
160.12471	3.3
161.09624	19.5
161.13248	8.8
163.11194	4.2
165.06976	4.0
166.07669	4.0
167.08592	9.9
168.09329	7.0
169.10112	26.6
170.10838	6.1
171.11691	33.7
172.12299	3.5
173.09711	4.3
173.13306	25.2
175.11198	11.6
175.14787	17.3
179.08569	7.3
180.09328	3.6
181.10117	8.8
182.10963	5.3
182.80862	2.9
183.11656	24.0
185.13239	14.4
187.11186	10.5
187.14868	14.3
189.12766	4.7
193.10149	8.7
194.10925	6.9
195.11710	12.3
196.12454	7.3
197.13261	17.8
199.14865	15.1
201.16454	10.0
205.10178	3.9
206.10939	6.1
207.11688	7.3
208.12479	5.3
209.13277	15.8
210.14053	6.3
211.14833	11.3
213.16409	4.5
217.15926	3.6
221.13254	6.4
223.14865	8.6
225.16473	9.3
235.14883	6.4
253.15817	6.5
253.19400	4.0
265.19601	4.6
375.26868	4.4
393.27737	14.3
393.32184	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	393.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.05505	9.5
56.05038	2.1
56.96542	4.0
57.03434	2.6
61.02922	1.5
67.05479	3.7
69.03077	1.3
69.03427	13.7
69.07068	2.1
70.06573	5.4
70.76217	1.0
71.04959	1.9
71.59048	2.0
72.08150	44.6
73.02899	2.6
74.02428	1.1
79.05470	1.4
81.03428	6.6
81.07061	1.6
82.06566	4.4
83.04961	6.5
84.04501	3.0
84.08135	11.6
85.02905	10.0
86.09711	11.7
87.03215	2.0
88.03980	1.7
89.03921	1.5
89.47083	1.5
91.05463	5.0
93.07035	1.3
94.06518	2.9
95.04944	5.1
95.08620	1.5
96.04471	5.4
96.08115	2.3
97.02892	9.3
97.06551	1.3
98.97598	1.5
99.04449	4.0
105.07000	3.0
107.04929	2.1
107.08569	1.3
108.08130	2.8
109.02869	3.7
110.06038	4.8
111.04412	5.4
112.03934	3.1
112.07579	1.4
114.09147	5.8
115.05463	1.2
116.98592	2.3
119.04934	4.4
120.08119	1.7
121.02867	2.0
122.06007	1.8
122.09650	1.5
123.04420	2.5
123.08072	2.5
126.09141	3.2
127.03897	5.5
129.05444	1.9
132.08084	1.5
132.10199	3.5
133.06459	1.2
134.03619	2.3
135.04398	3.4
135.08102	1.7
136.07509	1.5
136.11133	1.2
137.05995	1.6
138.05470	2.0
138.09097	1.4
139.03902	1.5
139.07568	1.1
141.07846	1.4
142.04939	2.2
143.05775	2.3
146.06067	2.4
147.04416	13.7
148.07599	1.6
149.02315	1.3
150.09126	48.5
152.07007	1.7
152.10785	1.9
154.08611	4.0
156.10248	2.1
159.08945	2.7
161.01221	1.8
161.06857	1.8
162.09039	1.3
163.03911	11.3
164.07155	1.7
164.10686	4.7
167.07062	2.7
168.10213	1.8
175.03900	2.0
177.00787	1.5
180.10159	10.0
182.11766	7.9
187.11601	1.2
194.11789	1.7
198.11285	11.8
200.12950	1.1
202.04994	5.3
207.06445	1.6
210.11235	15.0
211.94615	1.2
212.12733	3.5
216.12297	22.2
220.06049	2.1
229.03163	1.7
230.13768	2.5
231.14066	1.3
231.14465	1.6
231.17012	13.6
237.00648	2.4
237.02780	2.3
241.15462	1.6
247.04251	23.9
255.01711	2.5
258.13394	2.9
263.17474	3.9
271.00906	1.4
287.21283	1.3
291.16989	1.9
309.18069	100.0
310.18378	3.6
311.19662	2.2
321.18134	2.1
339.19150	18.5
357.20163	32.4
375.21246	15.6
393.08032	9.3
393.12546	2.7
393.17401	6.7
393.22046	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	393.1882
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
69.03413	0.5
69.52954	2.9
70.06568	0.5
72.43658	0.4
81.03429	0.4
90.23858	0.3
98.20631	0.4
105.07053	0.4
127.03879	0.4
128.60626	0.4
133.06444	0.4
135.49039	0.4
170.71915	0.4
203.05240	0.7
243.08765	0.7
349.12634	0.9
393.11703	2.6
393.18820	100.0
394.19125	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.10045	0.4
67.75587	0.4
69.03427	0.9
69.69434	2.2
69.69848	0.7
80.22511	0.4
81.03471	0.4
84.08161	0.5
85.02911	0.4
97.38973	0.4
105.07057	0.5
113.26836	0.4
139.68747	0.4
149.72345	0.4
157.10146	0.4
225.87599	0.4
235.00154	0.4
243.08881	1.8
322.91135	0.5
326.39957	0.4
349.12421	0.9
378.15634	0.5
393.18835	100.0
394.19144	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08925	0.4
62.07564	0.4
67.62844	0.4
68.05009	1.7
69.82218	0.3
70.06580	1.1
70.52171	1.0
70.52534	0.8
72.08115	0.5
80.15553	0.4
84.08104	0.6
86.09664	0.5
87.04991	0.4
89.66894	0.4
91.05479	0.5
110.96339	0.4
121.02829	0.7
130.04984	1.1
136.87480	0.4
140.03389	0.8
149.04594	0.7
166.07260	1.0
172.06055	0.8
189.06464	0.6
201.06436	1.7
202.07214	2.0
203.08008	1.9
204.08812	7.1
215.08051	1.8
216.08797	100.0
217.09381	3.4
218.10341	4.9
225.06433	10.8
226.07240	3.1
227.07948	1.4
228.08830	1.1
229.09557	1.2
230.10368	9.9
240.08788	55.1
241.09473	2.6
242.10374	0.8
246.09863	6.2
258.09833	2.7
268.08270	4.4
272.11447	3.6
283.09360	1.7
286.09448	0.6
300.10904	57.6
301.11121	1.0
302.89557	0.4
308.71036	0.4
309.06985	0.6
311.08774	0.7
315.12091	0.6
333.12958	3.0
343.11404	2.5
351.08420	0.5
361.12558	5.0
365.10019	1.0
375.14035	5.1
393.09250	3.2
393.15131	29.2
394.15390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.1
53.99371	2.3
55.01875	4.0
55.05505	4.0
55.67418	2.8
56.96568	3.2
57.03427	4.7
61.02932	3.5
67.05506	7.9
69.03441	31.4
69.07071	100.0
70.06590	13.3
70.51753	6.8
70.52149	4.4
71.04994	9.9
72.08159	6.7
73.02924	4.1
81.03437	23.1
81.07076	4.0
83.04965	5.5
84.08142	7.7
85.02905	58.6
85.06565	3.1
86.09724	7.1
87.08109	28.6
91.05514	12.8
93.07075	5.2
95.04983	7.8
97.02900	59.1
98.20870	3.1
98.97617	3.3
99.04452	26.9
99.23018	2.5
103.03944	38.8
103.05388	2.5
105.07072	3.4
107.04962	4.8
107.08588	6.1
109.02895	21.0
109.10164	3.0
110.06023	3.3
111.04436	3.6
115.03945	2.8
115.07576	43.2
119.04906	5.5
120.08084	12.3
121.02872	3.7
122.06059	2.8
123.04439	3.2
125.06130	3.2
127.03928	73.2
129.05470	6.7
129.06996	3.3
129.09106	3.4
132.06596	2.3
143.05672	5.8
145.04962	13.9
147.04442	3.3
151.03903	7.0
163.06036	2.9
167.07059	2.7
171.10173	4.5
177.05470	4.8
181.04869	4.4
187.06050	8.0
191.07248	3.2
207.06522	4.6
208.09789	6.0
213.11194	6.3
217.04936	2.6
227.11890	2.9
231.12273	4.9
249.07924	2.9
257.05115	3.5
273.13391	14.9
304.96680	3.0
375.08160	3.0
393.09259	12.5
393.16571	4.4
394.19171	4.8
394.23206	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	393.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	36.7
59.73910	31.5
70.58850	98.3
94.93536	29.9
95.84795	32.6
102.10810	33.2
102.20164	33.8
118.89847	34.6
119.01855	34.0
119.04910	35.3
123.00816	33.4
126.52044	32.0
147.04414	47.3
149.02344	51.8
189.00583	49.9
209.81834	32.4
247.04236	100.0
290.99976	34.9
393.06067	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93934	18.3
55.01881	30.0
56.96566	58.6
57.19490	20.6
63.77365	18.5
69.03426	29.2
70.06606	41.6
71.32436	47.0
85.02898	47.5
85.81394	19.4
97.02905	25.5
97.14872	19.7
98.97584	67.6
116.98618	36.5
119.01869	21.6
127.03926	23.5
128.98613	26.8
135.04417	35.1
143.00218	29.4
143.05687	59.5
146.99698	40.3
163.03876	100.0
164.04289	24.5
177.00774	28.5
191.03923	26.8
200.04494	28.7
221.05035	25.5
231.05103	23.7
237.00739	26.1
237.02895	43.8
239.35556	21.4
248.44260	20.9
248.99158	26.8
249.02754	21.4
265.17746	20.5
393.06232	62.7
393.11423	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01852	1.1
55.05494	1.3
56.05017	0.9
56.96554	1.8
57.03421	1.5
61.02918	1.1
67.05490	1.4
68.05026	0.7
69.03426	4.0
69.07050	1.9
70.06564	1.6
70.34903	2.2
71.04990	1.9
72.04493	1.4
72.08132	1.9
74.06046	0.9
76.02208	0.6
77.81862	0.5
79.05461	1.2
81.03421	3.3
81.07050	1.3
82.06551	1.9
83.04967	1.7
83.06113	0.7
84.04484	1.8
84.08138	4.4
84.95971	0.7
85.02901	6.8
85.06530	1.0
86.09701	5.7
87.04446	0.6
91.05459	2.0
93.07020	1.0
94.06554	4.2
95.04953	2.0
95.08613	0.6
96.04474	1.3
97.02906	2.9
97.06472	0.8
98.05998	0.7
98.09676	0.6
98.97576	1.1
102.05540	1.0
105.07011	1.6
106.06551	0.6
107.04944	1.4
107.08559	1.2
108.08109	1.5
109.02847	1.4
109.06530	1.4
110.06012	4.4
110.09678	1.3
111.04412	1.4
111.08073	0.9
112.07594	1.8
113.06009	1.1
116.98647	0.7
119.04910	1.0
120.06555	2.1
120.08105	1.2
121.02826	0.8
121.06459	0.9
122.06026	8.4
122.09657	1.4
123.04381	1.0
123.08038	1.5
124.07585	4.3
126.09118	0.7
127.03884	1.5
128.10699	7.6
130.04951	0.8
130.08609	0.7
131.08553	1.5
133.06540	0.8
133.08832	0.7
134.09637	1.9
135.04453	1.4
135.08017	1.8
136.06169	1.9
136.07559	3.5
136.11192	0.8
136.48532	0.6
137.05972	1.5
138.09117	3.7
139.07512	2.3
139.12274	1.3
140.07054	12.3
142.06848	0.9
142.08600	1.6
143.05618	2.7
145.02815	0.7
147.04401	2.1
148.07596	1.0
148.11241	3.1
149.02338	1.4
149.09599	2.2
150.02658	0.8
150.09099	2.3
152.07118	1.2
152.10677	0.7
154.08629	21.4
156.10133	1.2
159.07704	2.1
161.05931	0.8
163.03912	3.8
166.12260	4.2
167.07042	1.7
167.10648	1.8
167.11871	0.9
168.10236	1.8
175.05275	0.6
176.10716	4.2
177.08939	1.1
183.07799	0.7
184.13429	0.6
186.11272	1.3
188.12810	1.5
194.11763	11.9
195.11378	1.2
200.07240	0.7
201.05685	0.6
212.12808	7.1
213.12392	1.2
230.13858	100.0
231.14182	1.9
237.02811	0.8
240.12282	0.7
243.83344	0.6
245.09523	3.5
247.04210	1.7
272.16058	0.7
296.16141	3.1
308.14932	0.5
309.18024	1.1
314.17133	2.3
326.41629	0.6
332.17947	0.7
338.16904	0.8
356.18427	0.6
392.08081	0.6
392.19284	2.1
393.07608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05510	13.2
56.96563	9.8
57.03445	2.8
57.07069	7.6
61.02953	4.2
65.03951	2.3
67.05509	19.6
69.03448	6.4
69.07074	9.5
69.78526	7.3
69.78938	7.8
71.04993	2.6
78.41296	2.4
79.05490	27.7
81.03430	2.5
81.07047	46.8
83.04995	5.1
83.08624	5.5
84.66088	2.3
85.02924	3.2
85.06566	2.8
91.03921	2.9
91.05480	38.1
93.07043	40.0
95.04962	45.4
95.08605	21.4
97.02885	3.3
97.06549	4.9
103.05499	5.8
105.07030	57.3
105.07677	4.1
107.08588	24.4
109.06554	8.9
109.10136	11.5
115.05450	5.8
117.07024	15.9
119.08585	45.2
121.06532	8.3
121.10146	23.9
123.08104	4.5
128.06250	10.5
129.07018	18.4
130.07829	7.7
131.08562	27.8
133.06534	4.8
133.10132	19.9
135.08086	5.6
135.11754	4.4
137.06049	2.5
138.23816	2.2
141.07014	9.1
142.07803	16.6
143.08562	30.3
144.09364	4.3
145.06560	4.7
145.10104	36.2
145.11116	3.1
147.08049	8.3
147.11731	8.2
149.02324	22.6
149.09637	4.8
153.07016	3.6
154.07785	3.8
155.08530	17.7
156.09343	12.2
157.10146	30.9
159.08110	6.7
159.11681	19.3
161.09685	7.3
165.07104	8.5
166.07835	4.3
167.03526	2.7
167.08553	11.5
168.09453	4.3
169.10138	21.9
170.10881	3.6
171.11719	15.7
173.13213	13.0
175.11301	4.2
175.14958	2.5
179.08713	9.6
180.09352	4.0
181.10132	13.8
182.10919	4.8
183.11681	16.3
185.09656	3.6
185.13293	8.3
187.11317	4.0
191.08701	3.1
191.14317	5.3
192.09390	5.0
193.10147	13.2
194.10922	7.7
195.11635	13.7
196.12480	3.5
197.13341	11.0
199.11340	4.9
199.14934	4.7
203.08701	4.0
205.10158	4.7
206.11005	7.5
207.11720	18.7
208.12422	6.1
208.40955	2.8
209.13269	15.4
211.11310	4.1
211.14919	7.1
213.12772	3.6
217.15842	3.6
218.11017	4.5
219.11809	7.0
220.12596	5.5
221.13252	14.0
223.14938	8.2
225.12961	4.4
227.14311	3.8
230.10887	3.6
231.11726	4.4
232.12576	4.0
233.13374	6.3
233.15480	4.3
234.14012	3.9
235.14961	8.3
236.15567	3.1
237.13031	3.0
237.16510	6.7
239.14307	2.9
243.11800	4.5
245.13438	6.0
246.14056	3.5
247.11418	3.2
247.14955	5.6
248.15765	3.7
249.12904	3.3
249.16534	10.9
251.14194	3.0
259.14944	4.1
260.15848	2.7
261.16599	8.8
263.17972	4.3
265.16086	3.6
267.09241	5.3
267.17386	2.5
269.10608	2.7
273.16486	3.5
275.17920	5.0
281.19183	3.3
282.19968	6.7
285.09958	12.6
286.10587	4.0
287.11755	3.3
289.19836	3.4
291.17700	3.4
293.19159	2.9
297.18597	5.5
308.21292	2.7
333.17239	2.8
335.20224	5.3
346.55487	2.8
373.25320	16.5
391.25909	100.0
391.35663	11.4
392.26541	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
56.96550	1.9
57.07074	0.9
61.02905	1.8
67.05499	3.3
67.39394	0.5
68.12158	0.5
69.03438	0.6
69.07053	1.2
69.61911	0.4
70.06490	3.2
71.08600	0.8
71.78375	0.5
79.05465	1.3
81.03406	1.0
81.07041	1.7
82.43592	0.5
85.02899	1.3
91.03944	0.7
91.05476	1.5
93.07028	1.2
95.08595	1.4
97.02879	1.3
98.21439	0.8
99.04472	0.5
103.55961	0.5
105.06997	1.3
107.08620	1.1
109.10159	1.8
119.08575	0.8
121.02855	0.8
121.10093	0.5
127.03860	0.7
131.08510	0.6
143.08478	0.6
144.16879	0.6
145.10152	0.9
149.02351	6.8
159.11639	0.6
167.03380	1.7
172.10603	0.6
173.11778	1.0
181.08705	0.5
217.07474	0.7
224.32608	0.6
227.88875	0.5
229.14301	1.1
231.09085	0.6
269.10559	1.1
273.10138	0.6
279.84161	0.6
285.10101	1.0
321.16705	1.3
351.18631	0.6
369.19510	2.3
391.24551	100.0
392.24832	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.8
57.03430	0.6
57.07072	1.1
60.79872	0.5
60.82338	0.5
61.02913	0.7
67.05497	1.8
69.03426	0.5
69.07071	0.7
70.06591	0.7
70.22456	2.1
71.08632	1.0
73.02905	0.5
73.68316	0.5
78.28160	0.4
78.71320	0.5
79.05482	1.6
81.07056	2.0
83.04968	0.5
83.08656	0.6
85.02924	0.7
91.05477	1.2
93.07029	1.9
95.04984	0.7
95.08612	1.7
97.02888	0.9
105.07050	0.9
107.08604	1.2
109.10146	0.7
119.08543	1.1
121.10165	1.3
135.11742	0.7
145.10110	0.9
149.02345	5.1
159.11642	0.7
167.03362	0.9
269.10632	0.7
285.10266	0.7
287.11606	1.2
322.12982	0.5
329.32520	1.2
391.24545	100.0
392.24899	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.9
65.03951	0.7
67.05496	2.1
69.07069	0.7
70.07868	0.5
71.08639	0.6
79.05466	0.8
81.07055	1.5
85.02925	0.6
93.07031	0.6
95.08617	0.7
97.02897	0.6
107.08617	0.7
109.10198	1.2
119.08569	0.6
135.11691	0.6
149.02351	7.4
167.03412	18.6
173.11771	0.7
245.66621	0.5
260.12473	0.7
269.08069	8.9
271.08640	0.9
321.16745	1.3
335.20560	0.7
350.17267	1.4
368.18442	2.5
391.24561	100.0
391.35605	2.0
392.24850	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01860	1.0
55.05495	3.7
56.96551	4.1
57.03428	1.4
57.07067	1.9
61.02908	2.7
65.03915	1.1
67.05512	7.3
69.03426	2.3
69.07054	3.2
71.08627	1.7
71.60336	1.6
73.02905	1.7
79.05498	6.3
81.07066	9.7
83.04985	1.8
83.08606	1.7
85.02888	1.7
91.03951	1.5
91.05481	7.7
93.04404	1.2
93.07050	8.1
95.04962	6.9
95.08602	6.0
97.02892	1.4
97.06519	1.8
101.02383	1.1
105.07034	12.4
107.04937	1.0
107.08601	5.6
109.02856	1.0
109.06544	1.4
109.10141	2.5
115.05394	1.3
117.07009	4.0
119.07937	0.9
119.08587	10.5
121.02785	1.0
121.06506	1.6
121.10092	3.9
128.06215	1.6
129.07013	2.6
130.07716	1.8
131.08556	5.5
132.10178	1.6
133.10075	4.3
135.08044	1.2
135.11633	1.2
140.44873	1.1
141.07054	1.1
142.07741	3.0
143.08580	6.1
144.09380	1.6
145.10106	8.0
147.08067	1.6
147.11719	2.2
149.02348	10.2
149.13268	1.6
154.07750	1.3
155.08534	2.7
156.09253	2.5
157.10132	5.4
159.08003	1.6
159.11659	3.9
161.09541	1.3
167.03392	1.2
167.08545	1.7
168.09341	1.5
169.10104	3.6
171.11687	2.9
173.13249	3.0
179.08481	2.6
181.10071	2.5
182.10902	1.7
183.11652	2.9
187.11168	1.0
187.14870	1.0
192.09233	1.1
193.10130	3.0
194.10918	1.1
195.11656	3.6
195.13689	0.9
196.12407	1.9
197.13184	3.7
199.11137	1.2
199.14816	1.3
206.11067	1.4
207.11679	3.4
208.12463	2.3
209.13264	2.4
211.14801	1.1
219.11696	1.9
221.13107	2.8
225.16440	1.1
227.14233	1.2
231.08929	1.4
233.13287	2.2
235.14722	2.9
243.09064	1.1
247.14825	1.8
249.16302	2.1
267.09155	1.0
269.10547	3.7
270.10962	2.4
270.17517	1.1
273.10104	1.6
275.17786	1.3
285.09924	2.7
286.10339	1.6
287.11505	2.8
288.11929	1.5
297.18521	1.5
335.20007	2.0
350.17065	1.2
373.11975	1.3
373.25131	3.8
390.35535	1.3
391.24512	100.0
391.35352	6.7
392.24802	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	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96782	0.6
53.03940	1.4
54.64235	0.7
55.01877	3.7
55.05515	0.9
55.70358	0.7
56.05019	1.2
56.96560	1.4
57.03428	1.5
57.07074	1.1
59.69562	0.6
65.03924	1.6
67.05495	2.9
68.99754	0.6
69.03417	2.2
69.07049	2.4
69.80196	2.6
69.80612	1.5
70.02959	0.6
70.06591	7.2
71.04985	1.6
71.08607	1.0
72.08150	5.5
73.02919	0.7
77.03906	0.7
79.05487	2.0
81.03405	2.9
81.07053	3.7
83.01359	0.6
83.04993	1.4
83.06090	3.1
84.04502	1.5
84.08144	3.7
85.02901	3.3
86.09701	2.7
89.47781	0.6
91.05482	5.0
93.03416	0.8
93.07025	1.8
94.06567	1.1
95.04951	1.6
95.08620	1.1
97.02888	1.8
98.20807	0.9
98.97588	0.8
99.04453	1.1
99.05584	0.8
99.08055	2.1
103.05465	2.2
105.07028	2.7
107.04960	2.1
107.08614	1.4
109.02871	2.3
109.10143	1.5
110.07144	0.7
111.00816	0.7
111.04422	1.6
111.05574	0.8
115.03968	0.6
115.05455	2.7
115.08694	3.0
116.98611	0.7
117.06998	1.0
118.04095	0.6
118.08666	1.5
119.04905	3.5
119.08559	1.2
119.94729	0.5
120.08080	2.1
121.02862	20.1
121.06497	2.2
121.10152	0.9
123.04431	0.7
124.07578	0.9
125.09616	0.8
126.05501	2.2
127.03905	2.0
129.10193	0.7
130.06522	64.7
131.04921	2.5
131.06908	1.1
131.08525	1.6
132.04451	22.6
132.08092	2.1
133.02911	0.7
133.10107	1.2
135.04396	1.6
135.08076	0.8
137.02287	0.8
137.05998	3.2
137.09576	0.8
139.03841	0.7
141.05676	0.8
143.05646	2.6
144.10188	1.3
145.02853	4.4
145.04953	0.9
145.06458	1.2
146.06013	1.8
146.99652	0.9
147.04356	3.8
149.01279	1.2
149.02336	10.3
149.05986	2.0
149.09610	1.1
151.03885	1.7
153.05486	1.0
157.06345	1.1
157.07620	19.6
158.06010	23.4
158.08066	1.0
159.04413	2.8
159.09146	6.8
160.07581	2.2
161.06030	3.5
161.09628	1.0
163.03932	1.0
167.03426	0.9
167.07071	2.9
169.07687	0.9
171.04424	1.9
173.05824	0.8
173.07138	3.3
174.05528	2.7
175.03951	1.1
175.08672	13.5
177.05385	1.1
179.05438	0.6
179.07011	1.0
181.04958	1.3
181.06395	1.1
183.09189	1.8
185.07097	6.2
186.05525	1.5
188.07050	1.7
189.01883	2.7
189.05476	1.9
189.09021	1.0
191.03355	1.1
191.06979	1.3
195.02881	1.7
195.09111	1.4
199.03912	2.1
199.10947	0.8
201.05415	1.2
201.10233	3.1
203.03450	3.2
203.08252	1.6
207.02884	3.5
207.06543	0.9
207.10152	0.9
211.08675	2.2
213.10129	2.4
215.03104	0.8
217.04993	6.6
219.03125	0.9
219.06316	0.9
221.58478	0.8
227.03413	2.3
228.11378	1.1
228.13429	1.3
229.03696	1.3
229.09671	3.0
235.05827	0.8
235.16824	1.0
239.08157	10.4
245.04446	3.4
246.12393	11.6
256.10776	2.1
256.14581	0.9
257.09225	36.9
258.09573	1.0
263.05432	1.0
273.03918	3.7
274.11856	15.5
274.14911	1.5
289.08578	1.3
291.05075	1.3
292.07303	1.5
293.08029	0.7
294.05243	4.9
295.05997	6.3
296.06375	1.1
302.14963	12.8
304.07416	1.0
305.07959	2.1
306.08929	2.3
307.06128	10.9
307.09570	2.0
308.06491	2.9
309.07449	1.4
310.15649	0.8
313.08185	0.8
316.16666	0.9
317.08221	1.9
318.08829	1.1
319.05981	2.3
320.06769	4.3
320.16061	2.1
321.07578	7.5
329.08096	2.3
333.07455	6.4
334.08301	5.3
335.09125	14.1
336.09448	1.3
337.07040	2.9
345.07492	10.2
346.07825	1.4
348.06284	1.2
349.06851	3.9
356.15921	3.1
359.12314	1.1
362.07770	2.0
363.08578	18.9
364.08981	2.4
373.07025	6.4
373.18695	1.2
391.08093	100.0
391.18973	2.0
392.08395	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.3
56.96552	1.1
57.07061	0.3
58.46239	0.4
59.04990	0.9
69.03435	1.7
69.73374	1.7
70.06583	0.5
71.04987	0.4
71.08619	1.0
72.08144	0.4
73.04041	0.4
74.06081	2.6
81.03424	0.7
83.42433	0.3
84.04521	0.7
84.08142	0.6
85.02908	1.9
86.09695	2.0
87.06712	3.2
89.03893	0.4
95.04950	0.3
95.06094	0.5
97.02896	1.0
98.21462	0.7
98.97577	0.8
99.04453	0.3
101.07165	0.7
105.05475	0.4
109.02876	0.4
113.04591	0.5
113.07136	0.5
116.98626	0.4
118.57870	0.3
119.04935	0.4
121.02838	0.4
125.91043	0.3
127.03905	1.4
128.69205	0.3
128.98640	0.4
133.06396	0.3
134.99684	0.3
135.04390	0.9
135.88586	0.3
137.05904	0.5
140.06984	0.5
141.00070	0.8
141.03996	0.9
143.05637	100.0
144.06015	0.9
145.02791	0.6
145.05011	0.4
147.04413	0.4
149.02341	6.9
163.03915	2.0
167.03397	0.9
167.07040	0.5
177.08693	2.0
187.14410	2.2
192.25346	0.4
201.06645	0.3
201.08839	0.3
213.02275	0.7
215.13950	1.2
229.06277	0.4
229.15491	0.7
237.02916	0.4
347.13077	0.5
391.12042	0.6
391.14847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51290	4.8
56.96560	23.4
69.03413	5.7
70.60869	6.6
70.61213	16.0
74.85080	5.4
81.13475	5.6
82.34174	5.3
84.08125	6.0
84.96033	4.8
97.02888	5.2
98.97592	18.4
100.88578	5.6
103.90314	4.6
116.98598	16.8
119.01910	9.3
128.98590	9.0
136.93112	8.9
143.00125	11.3
146.99702	7.0
154.94191	40.6
161.01216	12.9
172.95265	84.0
174.95703	5.2
177.00900	7.1
186.96791	10.5
190.96266	43.6
204.97888	6.2
209.93765	5.6
219.01942	15.9
228.97859	9.6
232.96574	4.8
237.02856	18.1
240.07114	4.9
246.98932	18.0
255.03920	28.7
268.91718	5.2
309.95432	5.6
316.99567	32.6
325.96713	6.5
335.00479	84.2
342.99774	5.7
349.01932	7.1
373.02271	31.7
391.03180	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
56.96552	0.7
57.03405	0.2
60.05640	0.3
63.17030	0.2
67.14194	0.2
69.03416	0.8
69.62009	0.9
69.62421	0.4
70.06586	0.6
71.04996	0.3
71.08607	0.3
72.08123	0.3
73.02909	0.3
81.03414	0.9
84.08144	0.5
85.02898	1.1
86.09727	0.2
87.00829	0.5
87.06713	3.9
89.03893	0.2
96.33572	0.2
97.02911	0.5
98.20753	0.4
98.97575	0.6
99.04423	0.3
109.02879	0.4
113.04598	0.3
116.98627	0.4
121.02899	0.3
127.03897	0.6
128.07144	0.2
135.04433	0.4
141.04034	0.9
143.05640	100.0
144.06056	0.4
145.04950	0.3
149.01195	0.2
149.02339	2.6
163.03889	1.2
164.04291	0.3
165.61812	0.2
167.03433	0.3
196.66641	0.2
305.10941	1.4
373.09488	0.3
391.11090	2.5
391.15945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08242	1.2
55.05513	2.4
56.96565	69.6
57.03417	1.5
61.02920	4.8
67.05501	5.2
67.30798	1.1
69.03423	2.9
69.07070	6.0
69.44740	7.9
69.45165	3.6
71.95270	6.0
72.96055	2.0
73.02914	1.4
74.97628	3.1
79.05492	5.1
81.03409	2.9
81.07058	7.2
83.08582	2.2
84.95992	1.5
85.02914	4.1
89.82445	1.2
91.03930	2.4
91.05490	5.9
93.07037	8.0
95.04984	1.8
95.08601	4.1
97.02879	2.2
97.06545	1.4
97.96784	1.7
97.99203	1.3
98.20769	3.1
98.97562	1.3
105.07026	3.0
107.08562	3.1
108.08905	1.5
109.06545	1.7
109.10163	2.7
110.97592	2.6
116.98610	1.4
117.06992	2.3
119.08585	3.1
123.01144	1.6
128.98586	3.7
131.00131	1.2
131.08582	2.3
133.01740	2.1
133.10143	2.0
137.02731	2.8
139.00700	1.6
141.02220	3.6
146.99666	8.8
155.03818	5.3
157.01794	3.0
159.03305	2.7
161.01192	2.0
165.00682	2.1
167.03761	2.0
169.01749	1.8
171.03233	6.9
173.04887	2.6
173.68651	1.2
175.02882	2.1
181.05371	1.5
183.03319	1.9
185.04897	8.9
187.02905	1.4
189.04366	7.1
191.05852	1.9
195.06967	2.2
197.05008	1.5
199.06445	8.8
201.04317	2.2
203.05872	11.3
207.05290	1.5
207.07011	1.3
211.06424	5.8
213.07964	12.3
213.09868	1.5
215.05872	1.4
217.05415	1.8
217.07439	16.5
219.58864	1.3
221.06931	2.9
223.02721	1.9
223.06384	1.6
225.07903	7.1
227.05865	2.4
227.09592	3.0
229.07492	4.9
231.06967	1.5
231.09035	24.7
233.10214	1.5
235.08514	1.8
237.07909	3.2
239.09442	7.0
241.07399	2.0
241.11192	1.4
241.81529	1.5
243.08937	8.6
245.10573	5.1
249.08040	4.4
251.09395	11.7
253.13101	1.4
254.10811	2.1
255.09039	25.1
256.26480	1.8
257.10486	6.9
259.12189	2.2
262.11176	1.4
267.09033	31.6
269.10510	100.0
270.10803	2.5
273.10074	22.7
278.10553	1.8
283.08447	2.3
285.10092	58.9
287.11621	51.0
288.11871	2.2
290.10626	3.5
292.12241	15.0
296.11679	1.4
303.11197	8.2
308.11673	5.8
310.13333	4.9
313.14932	1.4
331.15680	7.5
333.19125	1.3
349.16803	25.8
350.17200	2.8
351.20050	2.1
367.17947	51.9
372.18277	3.1
385.18918	8.9
390.19385	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	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.7
56.53516	1.7
56.96566	76.3
61.02923	3.6
67.05508	4.3
69.07063	3.9
70.08921	9.3
71.95255	7.2
73.02903	1.7
74.97636	2.3
79.05474	4.4
81.03420	3.7
81.07046	4.6
83.08586	2.2
84.61816	2.0
84.96006	2.7
85.02922	2.4
91.04012	2.1
91.05483	2.8
93.07040	2.8
98.97562	2.7
104.78876	1.9
105.07003	3.0
107.08604	2.2
116.98620	2.1
119.08562	3.6
119.63046	1.8
128.98605	7.6
137.02795	2.4
139.00684	2.4
141.02260	3.3
145.01752	3.9
146.99646	8.6
155.03824	4.2
157.01750	3.7
159.03275	3.6
165.00827	2.4
169.01733	4.1
171.03322	8.7
173.04820	4.2
183.03378	3.0
185.04851	9.4
187.08139	2.3
189.04393	12.3
193.05412	2.9
195.06947	3.1
197.04938	3.8
199.06433	8.7
201.04338	3.1
203.05876	15.7
209.04874	2.6
211.06407	7.3
213.07887	10.5
215.05844	3.5
217.05524	3.9
217.07455	22.6
221.06952	4.9
225.07968	11.3
227.05946	2.9
227.09575	4.9
229.07472	4.4
231.06987	3.1
231.09007	16.2
237.07999	5.0
239.09531	4.5
243.09079	7.8
245.10599	8.2
249.08034	5.8
251.09407	14.2
253.07684	2.5
255.09065	40.0
256.26294	3.4
257.10596	5.4
267.09030	52.8
268.09665	2.3
269.10526	77.8
270.10843	3.4
273.10089	35.9
278.10611	5.6
279.09018	3.8
285.10083	99.1
287.11673	43.9
290.10779	2.2
292.12131	10.2
296.11542	2.1
303.11267	10.3
308.11771	5.7
328.53677	2.4
331.15802	16.6
345.51984	2.2
349.12894	3.9
349.16873	47.6
350.16998	4.2
354.59033	2.3
361.17960	2.1
367.17935	100.0
368.18320	6.1
372.18353	3.0
385.18954	13.3
390.19360	7.2
390.23425	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	49.1
56.96848	2.7
61.02922	1.5
67.05499	2.5
68.45583	1.4
69.03417	2.4
69.07066	3.6
70.61070	1.4
71.33737	2.5
71.95255	5.8
72.96054	2.0
74.97579	1.8
79.05491	3.1
81.03410	1.9
81.07052	3.5
84.96024	2.7
85.02886	2.0
91.03907	1.7
91.05457	3.4
93.07030	2.2
94.75158	1.3
95.04939	1.6
95.08616	2.0
97.02859	1.8
105.07035	2.8
109.10131	1.6
115.97800	1.4
116.47134	1.9
116.98650	1.3
119.08559	1.7
121.10176	1.5
128.98596	5.7
141.02174	2.1
146.99641	9.2
147.03325	3.5
155.03787	3.4
161.01178	2.5
165.00777	2.3
167.03787	1.5
171.03308	2.8
173.04881	2.4
187.02744	2.0
187.06442	2.1
189.04460	2.6
191.83044	1.6
199.06409	3.0
203.05849	2.6
205.07350	2.1
207.06993	1.8
217.07521	7.1
221.08525	2.2
223.06355	1.5
225.07954	2.2
231.08908	2.2
237.08112	1.8
239.09543	3.6
249.07901	1.6
251.09569	5.3
253.11137	3.4
255.09039	4.5
263.09494	3.7
265.11127	2.4
269.10306	3.2
273.09973	3.0
277.11096	14.1
279.12646	3.9
281.10587	9.6
291.12747	3.2
295.12067	8.1
297.13684	2.2
299.11667	6.5
300.13135	1.8
329.09277	1.4
331.12543	1.3
331.15768	42.2
349.16876	100.0
350.17291	1.6
367.17953	54.8
368.18057	2.1
372.18475	12.1
385.19049	2.8
390.19556	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	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67388	2.9
50.89025	2.3
55.01854	4.6
57.14510	2.7
58.67476	2.5
67.05496	3.1
69.03432	8.1
70.06596	4.8
71.82953	2.5
79.05489	9.7
81.03417	5.1
81.07067	4.3
84.04510	3.1
84.08128	4.2
85.02908	13.0
88.71346	2.8
91.05493	11.9
93.07013	2.9
95.76175	2.7
96.08101	3.0
97.02907	5.9
98.20688	4.1
103.05453	7.9
105.07030	53.3
107.04941	4.1
114.05467	3.7
115.05448	8.3
118.04173	3.1
119.04949	8.6
124.07579	25.4
131.04883	4.6
133.06496	50.8
137.05989	7.5
143.05751	4.6
145.02852	7.7
147.04408	10.3
147.66986	2.6
149.05925	5.8
153.05388	3.8
161.04654	5.1
161.05984	100.0
167.07051	4.8
168.07590	2.8
177.05501	10.1
183.40102	2.4
193.08604	77.4
196.07320	4.2
211.09741	18.0
211.28383	2.8
228.12454	12.4
390.18246	19.7
391.10031	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	390.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01868	2.7
56.96556	1.6
57.03429	6.3
60.02136	2.4
61.02925	8.9
66.89742	1.0
67.05513	1.3
67.62926	1.0
69.03424	23.2
69.58485	2.3
69.58892	6.8
70.06589	2.1
71.04981	2.4
72.08152	1.5
73.02909	4.7
79.05491	5.0
79.07600	1.2
79.52107	0.9
80.06268	1.2
81.03412	10.4
81.07043	1.3
83.04973	1.8
84.04475	1.7
84.08150	1.9
85.02902	77.3
86.09704	3.2
87.04475	2.6
87.10049	1.7
91.03938	4.1
91.05489	3.4
95.04958	2.5
96.08195	1.5
97.02888	23.1
97.06530	2.2
98.20747	2.1
99.04440	4.8
102.65809	0.8
103.05431	1.6
105.07005	6.3
107.04954	8.5
108.05733	2.7
109.02882	7.5
109.06508	2.2
110.03647	1.1
111.04458	1.1
115.03918	1.4
115.05453	1.9
116.07038	1.1
119.04922	1.4
121.06513	2.2
123.04427	5.5
124.03921	1.0
124.05247	1.4
124.07601	6.6
125.06001	9.7
127.03907	19.2
131.04930	1.2
133.06490	5.1
135.04413	2.9
136.05179	2.7
137.05983	7.9
138.06728	2.1
145.02797	1.2
145.04961	31.4
145.06139	1.7
147.04405	1.6
148.05074	1.3
149.05978	1.7
151.07541	2.1
152.04633	1.3
153.05458	26.7
154.06270	1.2
156.07863	1.2
156.22495	1.1
161.05994	5.9
163.03886	1.4
163.06021	3.9
163.07457	2.3
165.05487	2.1
165.09126	4.4
167.07036	100.0
168.07817	86.2
169.08200	2.1
177.05513	1.8
179.07056	1.4
182.09363	5.8
193.08592	10.8
194.09332	4.2
197.08038	1.8
209.08044	3.0
210.08989	5.6
211.09694	2.9
225.68010	1.0
228.09930	60.5
228.12054	3.0
297.01797	1.0
327.71271	1.1
330.13000	2.1
390.17993	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
51.51976	9.6
51.58604	9.2
54.30840	8.4
57.61420	8.9
67.05499	16.7
69.03429	15.4
69.07066	12.3
69.32591	96.7
71.05003	16.4
79.05521	19.9
81.03441	10.1
81.07072	21.0
82.50393	8.8
83.04960	15.3
83.08633	11.2
85.02905	24.3
85.06530	14.0
90.21467	10.1
91.05503	16.0
93.07045	37.9
95.08627	41.2
99.04456	37.7
102.37402	9.6
105.07022	14.1
107.08604	70.4
109.06542	14.6
109.10162	23.0
121.06511	23.7
121.10143	68.4
123.08099	38.2
123.11708	17.1
125.09723	11.4
131.08557	21.2
133.10141	28.0
135.08052	25.9
135.11731	9.9
137.06076	9.9
145.10139	16.0
149.09633	65.5
149.13287	26.8
151.11203	22.1
153.09183	9.7
163.14812	34.6
165.73929	8.4
167.07097	17.0
173.13263	30.7
177.05559	11.6
181.05000	16.0
191.14267	81.7
209.15399	100.0
227.16501	27.0
254.90936	10.5
273.92825	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	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79530	0.5
55.05501	1.3
56.96570	3.0
57.03428	0.8
61.02911	1.3
67.05488	2.2
69.03428	0.9
69.07067	1.4
71.60164	0.9
79.05484	1.5
81.03423	1.0
81.07046	2.3
83.08632	1.2
84.93590	0.6
85.02888	1.4
87.28713	0.6
91.05475	1.9
93.07041	1.6
95.08593	2.1
97.02886	1.2
105.07040	1.3
107.08573	1.7
109.10162	0.8
110.15424	0.5
117.06979	0.7
119.08612	0.9
121.10087	1.2
129.07001	0.7
131.08591	0.6
133.10133	1.7
144.10210	0.8
147.11502	0.5
149.09546	0.9
149.13240	0.9
155.72913	0.6
157.10237	0.5
159.11755	0.5
167.36937	0.6
189.04166	0.6
203.05859	1.1
229.07352	0.6
267.09109	1.2
269.12546	1.2
277.21619	0.7
285.10144	1.6
301.36667	0.5
311.18872	1.1
347.15115	1.2
348.15903	2.7
349.13019	1.2
349.16873	1.1
366.16678	1.7
371.21671	0.7
389.22971	100.0
390.23349	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	389.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.3
57.07073	2.6
58.99629	0.3
60.05653	1.8
60.26688	0.2
67.05506	0.5
69.03430	1.1
69.07055	0.3
70.06599	1.3
71.60389	0.4
72.08150	0.6
79.05501	0.5
81.03397	0.8
81.07050	0.4
83.04973	0.5
84.08151	0.6
84.45028	0.3
85.02898	0.9
85.03373	0.3
85.06538	0.7
86.09711	1.5
87.06715	3.7
91.05476	0.8
93.07028	0.4
95.08646	0.3
96.04493	0.2
97.02894	0.4
97.06553	0.4
105.07030	0.3
107.04927	0.4
107.08591	0.5
109.02888	0.7
109.10143	0.4
111.04506	0.4
117.07037	0.3
119.08582	0.6
121.02867	0.6
121.06510	0.2
123.04422	0.4
127.03886	0.5
130.71638	0.2
134.92612	0.2
137.05972	0.6
141.04071	0.6
142.06862	0.8
143.05643	100.0
144.06036	0.6
145.10101	0.3
147.04440	0.4
151.07645	0.4
160.90216	0.3
161.05974	0.5
167.07053	1.1
173.12923	0.3
177.05568	0.4
181.04968	0.6
187.03842	0.3
205.08734	0.3
209.15434	0.7
227.08485	0.6
227.12630	0.5
229.10866	0.4
241.15372	0.3
241.77985	0.3
245.09583	1.1
251.08095	0.3
265.09641	0.4
269.09256	0.5
293.09109	0.5
297.08630	0.8
303.74573	0.3
325.11035	0.2
327.20206	0.4
339.09875	0.6
343.12909	0.4
345.15363	0.5
354.00568	0.3
361.06906	0.6
361.10773	0.6
363.80884	0.3
371.11929	0.5
389.09512	1.6
389.13754	1.5
389.17300	2.0
390.10550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1586
Annotation	Simulanol
Peak:m/z	Relative Intensity
53.03950	4.0
55.01629	2.9
55.01873	32.8
55.05482	2.4
56.96556	2.1
61.60777	1.5
62.06018	1.6
65.03929	9.0
65.26731	1.8
67.05495	6.6
69.03429	5.3
69.89761	6.5
69.90165	3.5
70.06595	2.2
79.05504	11.4
81.07043	6.7
82.04198	2.5
83.08633	2.1
85.02915	8.9
86.09702	2.1
86.91854	1.9
91.05493	14.9
93.07013	5.0
95.04958	11.5
95.08628	3.1
97.06524	4.1
98.97565	2.1
100.11259	3.0
102.67767	1.8
103.05475	18.0
103.75108	1.9
104.94255	2.0
105.07027	3.6
107.04964	14.7
107.08627	2.4
108.02110	1.9
109.06550	4.5
109.10152	2.6
110.03649	3.9
111.04439	5.3
115.05453	6.1
117.07026	2.9
119.04989	2.1
121.06499	6.8
121.10208	2.6
122.03666	4.6
123.04398	9.0
123.11752	2.0
124.05247	3.1
125.05982	5.9
127.03987	2.5
128.05269	1.7
128.06184	4.2
129.06987	16.5
131.04932	24.0
131.08549	4.5
133.06525	3.6
133.10130	3.5
135.07977	1.9
137.05974	50.3
140.04713	3.1
141.06978	3.6
143.05652	4.6
145.06516	9.2
147.04372	5.7
149.05956	13.5
151.03879	3.1
151.07570	3.6
152.04605	2.4
153.05511	4.5
157.06483	12.7
159.08073	3.1
160.05186	5.1
161.05978	5.4
163.03854	3.1
163.07562	12.7
165.05447	4.1
167.07040	40.3
171.06563	12.4
171.07846	2.5
173.05913	4.3
174.06792	11.9
175.07550	20.2
177.05466	32.6
177.09038	2.4
179.07010	3.5
181.04959	100.0
181.08566	3.3
182.15410	2.0
183.06590	9.6
186.06822	2.4
187.07547	6.0
188.94618	2.3
189.07253	3.1
189.09122	27.6
190.07671	2.2
191.07027	4.3
191.08566	2.7
191.10680	2.9
201.09079	8.4
205.06567	2.1
206.07375	2.3
207.06477	2.6
209.08080	56.4
217.06520	3.0
217.08553	6.8
218.07265	6.7
219.08034	6.5
219.10123	37.7
221.08012	4.1
223.07297	2.1
231.08090	3.3
232.08871	2.4
233.09631	4.0
234.06732	8.7
235.07545	6.0
235.09602	2.7
241.09706	6.3
246.06741	6.1
247.07521	9.0
248.08382	3.0
249.09103	11.5
250.09947	2.4
251.07390	2.3
251.10509	2.6
252.08612	2.2
255.11226	4.3
261.09183	15.3
262.06271	3.3
262.09732	2.5
263.07123	5.8
264.07916	3.1
265.08591	2.7
273.12390	2.7
276.07819	3.4
277.08612	29.9
278.09311	5.1
279.10141	5.5
281.11777	2.7
283.10739	4.4
289.08502	3.4
291.06705	2.1
291.10126	3.9
293.08350	2.0
293.11713	4.1
294.08850	3.9
295.09790	2.3
307.09683	4.6
308.10339	2.2
309.11133	12.1
311.09610	2.3
311.12903	3.6
321.11536	8.7
325.10568	4.3
329.11139	10.9
339.12311	42.5
341.13809	4.0
353.13876	3.6
357.10590	5.1
359.14746	3.6
371.14969	31.1
389.16199	41.3
389.20795	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1591
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
55.01872	35.9
55.05516	2.5
56.05036	1.4
56.96547	1.6
57.03442	1.3
60.05648	4.8
65.03939	9.8
66.08339	1.3
67.05502	7.3
69.03427	5.1
69.07062	1.8
69.59948	4.6
69.60376	5.2
70.06586	8.8
71.06902	1.9
72.08150	3.4
74.06100	1.3
79.05482	6.8
81.03434	2.6
81.07050	3.4
82.04192	3.4
83.04980	3.7
84.04504	2.4
84.08160	1.7
85.02896	11.8
85.06565	1.3
85.31700	1.1
86.09700	7.3
89.03905	2.2
91.05463	8.4
93.03416	1.8
93.07029	6.4
94.04187	1.9
95.04970	8.5
95.08619	4.5
97.02869	2.5
97.06541	3.8
98.97584	1.3
103.05466	15.9
105.07040	7.0
107.04969	8.4
107.08596	5.7
109.02890	1.7
109.06511	1.4
109.10144	1.8
110.03650	4.8
111.04443	3.6
115.05438	2.5
117.07023	2.4
119.05004	2.4
121.06490	7.1
121.10172	4.1
122.03625	4.1
123.04428	6.8
123.08102	2.2
123.11706	1.3
124.05155	1.7
125.05991	5.5
125.09642	8.1
127.03976	1.7
128.06229	3.5
129.07019	9.5
130.04848	1.3
131.04927	22.2
131.05826	1.8
133.06483	4.2
133.10147	1.6
135.04367	2.2
137.05975	37.6
137.09576	1.6
138.03125	2.7
142.02605	4.1
143.05702	3.1
145.06503	5.2
146.11766	1.8
147.04352	1.8
147.11659	1.6
149.05974	14.8
149.09619	9.8
151.03896	1.8
151.07574	1.5
151.11243	1.9
153.05486	3.0
153.09149	2.8
157.06473	6.4
159.04443	1.9
160.05273	2.5
161.06026	6.3
163.04005	2.1
163.07532	7.2
167.07040	24.9
171.06558	9.1
174.06795	3.3
175.07584	13.7
177.05478	42.0
177.09081	2.4
178.05855	2.7
181.04955	100.0
185.06004	2.3
189.09093	7.6
191.07043	3.6
191.14326	4.6
193.05025	1.6
193.08612	3.6
205.08630	3.1
206.05508	1.7
207.06561	2.9
208.06853	1.7
209.08084	58.8
209.15410	12.2
217.08597	8.6
219.01837	1.4
221.08038	2.2
227.16328	2.4
235.09624	4.8
236.09386	2.3
237.09903	2.6
249.09059	2.4
251.08170	1.8
255.11281	2.4
265.09778	2.1
277.08600	1.6
293.08990	2.8
293.11966	1.7
297.08789	3.6
297.69452	1.4
329.11179	2.0
339.09204	1.9
339.12820	1.8
341.14008	3.2
343.12732	1.8
357.10788	2.7
359.14780	2.3
371.15009	6.4
371.19150	1.7
389.16327	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	389.1596
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03942	1.5
53.25330	1.1
55.01876	32.0
55.05528	2.6
55.19926	0.9
56.44174	1.0
65.03944	8.3
67.05494	4.4
69.03432	3.4
69.07069	1.2
69.93298	1.2
70.02492	2.9
70.02905	2.1
79.05508	5.6
81.03421	2.4
81.07053	3.0
82.04211	3.0
83.08616	2.0
85.02905	7.6
85.06544	1.5
91.05480	11.1
93.03436	1.6
93.07039	2.9
94.04204	1.6
95.04978	7.7
95.08617	1.5
97.02899	1.5
97.06529	3.0
98.20876	1.6
100.11257	5.7
103.05474	16.3
105.07044	5.0
107.04966	8.4
107.08607	1.5
108.02125	1.2
109.06561	1.6
109.10129	1.4
110.03666	4.6
111.04469	2.5
115.05473	1.9
117.07051	4.9
119.04932	1.8
119.08545	1.4
121.06507	3.6
121.10149	1.5
122.03677	3.5
122.06046	3.6
123.00755	1.5
123.04449	4.6
124.05272	1.5
125.05990	3.2
127.03954	2.2
128.06258	2.4
129.07010	8.2
131.04927	20.3
131.08632	1.3
133.06541	1.6
135.08052	1.3
137.05984	36.3
137.22629	1.0
138.03130	2.4
138.06328	2.5
140.04701	1.9
141.06992	1.2
142.02626	3.6
143.05742	1.3
143.08629	1.2
145.06514	4.9
147.04475	1.6
149.05977	10.1
149.09621	1.4
151.03937	2.0
151.07593	2.3
153.05473	3.8
157.06459	7.0
159.04440	1.8
160.05202	2.9
161.05992	3.2
163.03926	1.2
163.07538	9.8
167.07047	25.9
168.07404	1.0
171.06581	7.7
173.06009	1.8
174.06789	4.0
175.07561	18.8
177.05481	35.8
177.09067	2.5
179.07114	1.6
181.04965	100.0
182.05341	2.9
182.15419	2.5
183.06540	3.8
185.05972	1.7
187.07599	2.6
189.05499	1.5
189.07484	1.4
189.09117	9.9
191.06964	2.2
191.08545	1.7
191.10759	1.8
195.10233	2.5
199.07599	1.2
205.06845	1.6
205.08684	4.0
206.07306	1.7
207.06628	3.0
209.08096	47.1
209.29230	1.1
210.14960	3.0
217.06819	1.3
217.08546	6.7
217.98643	1.1
218.07184	1.8
219.08264	2.2
219.10097	7.7
221.08067	1.5
234.06940	1.2
235.07611	1.7
235.09729	3.4
246.06818	1.7
247.07509	1.5
248.08348	1.3
249.09158	3.5
257.11646	1.5
261.09232	4.3
262.06363	1.4
263.06961	1.1
277.08606	7.8
278.09467	1.7
279.10233	1.4
291.10168	1.4
293.11905	2.2
309.11111	1.9
321.11432	2.6
339.12311	9.6
341.14008	3.7
353.13995	1.4
359.14700	2.9
371.14905	12.5
389.16055	43.1
390.16281	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46982	0.5
55.01875	4.6
65.03951	4.3
69.03413	1.0
71.68414	0.8
79.05476	1.0
85.02905	1.3
91.05482	100.0
92.05815	1.1
93.03430	0.9
95.04946	1.6
97.02889	0.6
97.86974	0.7
98.20798	1.6
103.05472	2.0
105.07018	1.1
107.04945	1.5
110.03599	0.6
117.07072	0.7
122.03664	1.0
123.04457	1.0
129.07024	1.5
131.04948	2.5
133.98196	0.7
137.05974	5.0
141.07050	0.6
149.02382	1.7
149.06015	0.9
151.03944	0.8
156.66634	0.7
157.06493	0.8
159.04475	0.7
160.05247	0.8
167.03400	3.9
167.07028	3.3
171.06508	0.8
174.06851	0.8
175.03923	1.1
175.07574	1.8
177.05473	5.4
181.04990	11.3
189.09129	1.4
191.03398	1.3
203.03397	1.4
209.08063	5.5
215.03510	1.0
217.08595	0.7
219.10144	1.2
221.04567	0.7
227.07034	0.9
233.04523	2.1
239.07108	3.5
245.04616	1.7
247.07703	0.7
257.08005	3.7
263.05603	0.9
265.08539	0.7
277.08621	1.5
279.10248	1.2
293.08078	5.9
309.11127	0.7
311.09277	2.7
311.12708	0.8
321.11349	0.7
323.09174	7.8
335.09091	3.5
339.12247	1.4
353.10349	5.5
371.11066	1.7
371.15213	1.5
389.16394	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	389.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
53.10582	1.5
55.01855	4.7
55.05515	14.1
57.03420	3.7
57.50782	1.5
59.04984	1.8
61.02920	1.8
67.05480	5.3
69.03429	15.3
69.07066	3.7
69.52944	10.3
69.53363	4.0
70.06568	2.6
71.04659	1.8
71.04990	18.1
71.08617	2.5
72.08134	1.8
79.05464	6.6
81.03060	1.5
81.03420	15.5
81.07054	25.7
83.04556	1.9
83.04980	24.8
83.08588	1.8
85.02900	8.8
85.06561	9.4
91.05457	4.8
93.07039	7.8
95.04935	6.5
95.08583	6.3
97.02851	6.8
97.06527	2.0
98.21466	3.6
99.04457	34.4
99.08142	1.7
105.07039	9.0
107.04919	2.5
107.08596	13.3
109.02879	4.0
109.06509	14.6
109.10160	7.5
111.04436	1.9
111.08106	3.7
113.06012	1.5
119.08542	5.8
120.08067	1.8
121.06461	2.9
121.10149	31.6
122.10477	1.7
123.08022	7.0
123.11652	7.2
125.09627	1.7
127.03892	6.4
127.07484	2.0
131.08537	2.2
133.10118	8.9
135.11685	3.4
137.05960	7.8
137.09608	2.6
139.11125	4.5
141.09067	14.4
143.05655	3.6
145.07549	2.3
145.08574	3.8
145.10025	2.0
147.04428	3.1
147.09140	5.7
147.11658	4.3
149.13205	4.8
151.11104	3.9
163.11078	2.6
163.14828	3.2
167.05672	1.8
167.06990	6.0
169.12202	6.2
173.07057	4.4
173.13225	7.2
175.08713	2.4
179.07042	2.5
181.04964	2.7
183.13792	8.8
187.09587	6.6
191.08159	45.0
191.14281	14.6
199.08662	1.9
202.30289	1.5
207.13696	2.2
209.08124	1.8
209.15453	11.6
227.08298	3.1
227.16420	41.8
265.09531	2.2
269.09232	2.1
289.11856	3.6
293.09152	3.7
303.14099	8.1
307.12881	15.4
308.99496	1.8
321.08481	2.6
327.14297	1.7
339.09772	2.3
345.15192	61.5
346.15375	2.1
357.10651	4.9
371.15613	5.4
389.14017	100.0
390.14417	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	389.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01859	1.0
55.05500	0.5
56.20494	0.3
57.03432	0.6
63.35978	0.3
65.03932	3.8
67.05511	0.7
69.03411	0.8
69.65541	2.7
70.06577	1.5
71.04984	0.5
73.02885	0.5
76.52776	0.3
79.05479	1.2
81.07056	2.1
83.05022	0.8
83.22364	0.3
84.04509	1.0
84.08141	1.0
85.02921	1.8
86.09701	0.9
91.05478	100.0
92.05804	0.8
93.03421	0.7
93.07042	0.6
95.04962	0.6
96.08149	0.7
97.02885	0.8
100.46130	0.4
103.05484	0.4
105.07040	0.8
107.04955	0.6
107.08595	0.5
109.02898	0.5
109.06510	0.4
111.04437	0.7
116.01688	1.4
116.98644	0.4
119.04951	0.8
121.02911	0.5
123.04465	0.6
124.07587	3.3
126.14605	0.3
127.03860	0.8
130.04985	0.5
133.06488	0.6
137.05977	0.8
139.07486	0.5
142.05028	0.8
143.05670	0.5
144.01149	0.5
147.04466	1.4
149.02354	1.1
151.03958	0.5
153.09050	0.5
159.04466	0.6
161.02383	0.7
162.02269	1.6
163.02655	0.4
163.03928	0.9
167.03394	5.1
167.07088	1.1
168.07477	0.6
175.03972	1.2
177.05505	0.6
179.03467	0.8
187.71745	0.4
188.05498	0.4
189.05406	0.5
191.03458	1.3
195.07982	0.4
197.04523	0.7
203.03496	1.0
203.05319	0.6
209.08141	0.7
209.11510	0.6
209.15396	0.4
210.11250	0.6
211.11632	0.7
211.58357	0.4
215.03441	0.4
227.07098	0.5
227.12627	1.2
227.16432	0.5
233.04601	1.5
239.07062	2.4
245.04596	1.2
251.07104	1.5
257.08105	3.4
263.05627	0.8
265.09088	0.5
266.49249	0.5
269.08109	1.0
281.06625	0.5
291.06628	1.2
293.08087	3.8
297.11520	0.4
299.07556	0.5
305.07996	0.4
311.09195	2.8
317.08179	0.6
323.09125	9.2
335.09125	4.8
335.12564	0.5
341.10312	0.9
345.15173	2.3
353.10168	8.5
353.14334	0.4
371.11264	2.2
371.16629	0.4
389.13867	5.5
389.18088	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	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01872	8.1
55.05502	1.0
56.06683	0.9
56.96545	1.2
57.03440	5.4
57.57315	1.0
61.02919	6.0
68.99784	2.6
69.03428	35.0
69.71984	1.5
69.72398	6.1
70.06588	1.6
70.95604	0.9
71.01346	1.0
71.04995	5.1
72.08142	1.0
73.02920	7.5
79.05489	4.1
81.03419	25.4
81.07016	1.4
83.04980	1.1
84.08121	1.3
85.02908	100.0
86.03237	1.6
87.00830	37.9
87.04439	1.3
91.03939	2.1
91.05475	2.5
93.07021	1.0
95.04973	2.2
97.02287	1.7
97.02895	29.2
98.20806	1.3
99.04456	15.4
101.02451	1.0
103.03904	1.3
103.05466	3.1
105.01867	55.7
105.07031	97.3
106.07378	2.1
107.07830	0.9
107.08556	1.3
108.04466	3.4
108.24119	1.1
109.02882	26.6
109.06562	1.1
115.03925	1.4
117.01840	2.8
119.08557	2.5
121.10120	1.2
122.06022	1.3
123.08062	1.3
124.08425	1.3
126.05500	1.5
126.82213	1.0
127.03917	69.0
129.01842	3.8
133.06476	1.2
137.05980	12.1
138.06306	5.3
139.46867	0.9
145.04956	32.1
147.02879	2.1
147.08014	1.6
151.03897	1.1
151.07597	1.7
152.07907	1.5
159.02895	14.8
163.11089	1.1
165.12849	1.3
166.13094	1.1
167.07018	3.3
181.04961	2.1
189.03923	3.1
189.09109	2.3
195.08046	1.2
205.61696	1.0
207.06490	1.5
207.13866	2.2
208.14143	5.2
213.03961	2.6
213.09166	2.1
231.04993	22.1
248.07664	1.9
249.06020	6.4
344.26810	1.9
358.13660	1.3
388.14749	3.7
388.20175	1.4
411.90842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64205	1.7
56.96563	57.4
60.56382	1.6
61.65223	1.5
67.05512	3.6
69.03450	2.3
69.07072	2.1
70.06587	1.8
71.60992	2.2
71.95253	5.7
74.97634	2.9
79.05491	4.3
81.07048	4.2
85.78394	1.6
88.07673	1.7
91.05486	2.5
93.07031	3.2
95.08643	2.3
98.97575	2.1
101.02357	1.7
105.07032	3.3
109.10126	2.0
121.10179	1.8
128.98616	5.8
134.99657	2.2
141.02255	2.5
146.99631	14.9
155.03799	3.9
157.01633	2.3
165.00743	4.0
169.01802	1.7
171.03299	11.2
173.04842	2.5
175.02818	3.1
183.03329	3.7
185.04906	4.6
187.02678	3.5
189.04343	21.9
197.04851	2.1
199.02832	2.0
199.06433	4.7
201.04282	3.3
203.05884	13.4
207.05360	3.7
209.04912	2.6
212.05867	2.6
213.08105	2.0
215.05992	3.2
217.07452	8.3
219.06976	2.3
219.08887	2.6
221.14958	1.9
225.07976	3.1
227.05984	6.3
228.23242	4.2
229.07478	4.4
237.08031	2.6
241.07590	2.7
243.09137	4.6
245.07031	6.8
255.08998	6.8
261.10214	2.8
267.05588	2.0
267.08942	3.4
269.10559	5.8
273.10120	6.7
278.08276	14.7
279.08878	2.4
283.08444	5.8
285.10123	4.8
296.09344	4.8
301.09698	4.9
301.14661	2.4
319.15585	3.1
329.14200	26.8
342.26587	1.8
347.15323	100.0
348.15701	3.1
349.16562	1.9
365.16406	81.8
366.16763	3.8
366.80563	2.4
370.16809	10.8
383.17319	8.8
388.17981	14.5
388.32614	5.0
389.22952	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	388.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
53.13107	1.2
55.01879	2.0
55.05508	1.8
56.05057	1.9
56.96556	3.3
57.03419	1.7
58.49418	1.1
60.04528	2.0
61.02916	1.3
67.05505	2.5
68.05020	2.4
69.03434	4.3
69.07076	1.6
70.06599	11.3
70.85270	3.1
70.85632	1.6
70.85809	0.8
71.04996	2.1
72.08154	1.7
76.04017	1.2
76.44870	1.0
79.05491	5.5
81.03419	2.9
81.07070	13.1
82.06573	2.2
83.01337	3.1
83.04974	1.6
84.04508	10.1
84.08141	5.8
85.02906	8.9
86.06072	2.2
86.09696	4.3
87.04491	1.5
91.05490	11.5
92.05810	1.0
93.07066	3.0
94.06576	3.6
94.81021	1.0
95.04980	3.4
95.08624	2.1
96.04479	1.5
96.08145	2.6
97.02909	2.8
97.06572	1.5
98.06057	2.2
98.09712	3.4
98.97594	3.1
105.03426	1.2
105.07058	2.2
107.04961	1.3
109.02898	3.3
109.06551	2.7
110.09718	1.8
112.11272	1.1
114.05547	4.3
116.01717	3.6
116.98605	2.5
119.04943	19.1
121.06541	2.0
121.10164	1.4
123.04436	43.6
127.03953	2.2
129.10255	1.4
130.05046	3.2
131.04895	1.0
131.08580	4.2
133.06596	1.1
135.04410	1.1
136.07637	1.7
137.06010	1.6
139.03885	1.5
142.03218	3.4
142.04997	5.9
143.05690	2.6
144.01122	1.6
145.04922	1.1
146.99680	1.4
147.04416	46.2
149.06012	1.4
149.09644	6.7
151.03896	7.4
151.07507	1.4
153.05492	6.7
159.08063	2.1
161.06062	1.7
162.02179	2.4
163.03870	5.2
164.10757	1.6
165.05577	2.1
165.09113	1.2
166.08585	1.0
167.07092	5.0
168.06375	1.5
168.07567	2.0
171.08156	1.0
175.03954	3.3
177.09116	72.9
179.07053	4.3
186.07224	1.3
187.07622	4.4
189.09152	3.9
190.08746	1.9
199.07556	4.4
201.09276	1.6
205.08659	3.0
207.06500	5.4
207.10117	1.5
207.13797	2.4
208.14116	3.3
210.11259	15.6
216.10219	10.5
217.08661	1.5
218.11774	15.3
218.27510	1.1
219.01817	1.6
224.07053	1.6
226.12323	1.5
227.09639	1.5
230.11810	1.9
236.12825	69.2
237.02802	2.1
245.05940	1.6
248.12837	6.6
283.05844	1.2
285.07559	1.3
287.11264	1.2
298.10941	1.2
313.12024	2.1
321.11246	2.4
339.12366	2.0
370.16559	10.7
370.20572	1.7
388.17584	100.0
388.22900	3.9
389.14529	4.4
394.27664	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12419	0.5
51.02370	0.9
53.03929	2.2
54.08955	0.6
55.01870	1.5
55.05504	2.8
56.27850	0.6
57.03422	1.1
57.07057	0.8
61.89318	0.5
65.03930	2.3
67.05499	6.4
69.03433	3.3
69.07069	4.6
69.35733	4.1
69.36139	1.9
71.04978	2.7
79.05483	6.3
81.02974	1.0
81.03415	10.9
81.07054	23.3
83.04988	3.4
83.08601	1.9
85.02883	3.2
85.06529	2.2
91.05482	7.7
92.05794	0.7
93.07040	8.3
94.04182	3.5
95.04967	3.0
95.08598	6.8
97.02870	1.2
97.06539	6.6
98.20767	0.9
99.04440	2.6
99.08119	0.7
101.05992	0.7
103.05472	2.4
105.07030	9.9
107.04925	3.2
107.08588	6.1
108.02109	0.7
109.02869	7.5
109.06512	4.9
109.10152	4.7
110.03629	1.0
111.04411	1.1
113.05993	2.8
115.05441	2.5
117.07043	2.9
118.86340	0.6
119.04919	2.1
119.08566	5.9
121.06521	3.0
121.10148	5.4
122.03646	8.3
123.04447	5.9
123.08047	2.5
123.11710	4.1
124.05218	0.8
125.06012	0.8
127.03908	2.0
127.07571	0.6
127.11178	1.5
128.06172	0.9
131.04906	3.1
131.08557	1.0
133.06496	1.8
133.10130	4.1
135.08028	1.2
135.11694	8.0
137.05974	100.0
137.09636	1.9
138.06340	3.8
139.03906	10.3
139.11160	1.1
141.05472	3.2
141.11467	0.8
143.04848	3.2
143.08569	2.0
145.06499	3.2
145.10094	1.9
147.04381	1.1
147.08038	0.8
147.11687	10.8
148.05177	0.7
149.05971	1.0
149.09631	2.2
149.13242	3.9
151.03903	7.7
151.05003	1.2
151.07527	1.0
151.11153	0.9
153.05501	1.4
155.07176	0.8
157.10158	1.1
159.08005	0.8
159.11708	2.2
160.05205	0.7
161.05978	3.2
161.09637	2.6
161.13271	2.4
163.03928	1.8
163.07544	2.8
163.11169	2.1
164.07054	2.3
165.05469	1.9
165.09145	1.8
165.12758	7.1
167.03355	0.7
167.07030	23.2
168.07468	0.7
171.06528	1.4
171.11682	1.3
173.05989	5.0
175.03923	1.5
175.07590	1.6
175.11224	1.4
175.14697	0.8
177.05446	2.2
177.12724	2.4
179.03423	1.1
179.07040	1.3
179.14380	1.5
181.04958	22.6
181.08482	0.9
181.12209	1.7
182.05246	0.8
183.06572	0.8
185.05968	0.7
187.07524	1.5
187.54843	0.7
189.09171	0.8
189.12776	1.7
191.07063	4.3
193.04996	1.9
193.08591	1.7
193.12215	5.9
195.06465	0.6
195.13817	12.7
201.05479	1.7
203.06967	1.9
205.06824	0.9
205.08516	3.1
207.06551	3.3
207.10106	0.7
207.13803	5.0
211.07574	0.7
213.14819	2.4
215.07005	0.8
217.08554	0.9
217.12184	0.7
219.10063	5.0
225.14711	1.0
226.17982	1.6
229.14381	5.0
233.08130	2.5
235.09610	2.4
243.15891	1.4
263.07144	0.8
264.07791	1.0
265.08646	0.8
299.05569	0.7
307.09604	1.2
309.11304	1.3
315.08658	2.0
315.23328	1.0
325.10794	0.9
327.12436	1.0
333.24243	2.2
337.10715	1.6
341.14011	0.7
351.25269	1.4
355.11908	1.0
357.13297	11.9
358.13681	0.9
369.13190	2.6
369.18683	1.5
387.14392	30.9
387.29984	0.8
388.14734	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03940	1.9
55.01863	0.9
55.05516	1.7
57.03434	2.6
57.07089	1.3
59.04991	1.0
61.02919	2.4
67.05506	4.6
69.03431	22.6
69.07070	1.6
70.06589	2.7
71.04992	2.1
71.45155	0.8
72.08154	1.3
73.02923	1.3
75.01203	0.7
78.31215	0.7
79.05511	1.9
81.03421	8.8
81.07059	14.1
83.04974	1.5
84.04507	1.4
85.02907	100.0
86.09690	3.7
87.04475	2.1
87.06701	1.7
91.05465	3.5
93.07048	3.8
95.04975	2.1
95.08611	7.0
95.39700	0.8
97.02889	7.0
97.06506	1.7
99.04462	4.9
101.02367	1.9
105.07040	7.0
107.04978	1.5
107.08566	3.7
109.02881	3.0
109.06517	3.1
109.10154	14.8
111.04459	2.2
111.08070	0.8
117.07063	0.8
119.08568	6.9
121.06511	1.6
121.10145	6.3
123.04403	1.7
123.08089	5.4
123.11707	60.3
124.12045	0.9
125.05997	48.2
127.03941	7.8
129.07025	0.8
131.08563	2.5
133.06497	1.7
133.10098	1.5
135.11702	2.3
137.05972	3.4
137.09602	2.4
139.07542	7.8
143.05647	45.1
145.04971	2.7
145.10120	2.7
147.08073	2.5
147.11688	9.5
149.09627	7.9
151.03915	1.7
151.07547	8.8
156.09404	1.3
159.08116	0.9
161.05983	1.2
161.09650	1.7
161.13258	4.8
163.11168	2.3
165.09117	2.1
165.12773	2.6
167.07010	7.3
167.10742	0.9
171.11732	2.2
174.10410	1.2
181.04985	2.1
189.12756	10.9
190.72156	0.6
191.06979	0.8
205.08681	0.8
207.06476	0.9
207.13803	47.4
208.14041	0.8
225.14857	70.8
277.10803	0.9
292.25528	0.7
310.11566	0.7
333.16974	6.0
351.18005	11.4
369.19101	5.3
387.15747	1.7
387.20123	48.2
388.20551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
51.94337	2.9
55.05508	3.4
62.15910	3.0
67.05496	6.3
67.39564	4.2
69.03426	7.4
70.06596	100.0
71.06927	23.7
71.44830	6.2
77.71545	2.8
81.03429	4.9
81.07046	11.5
85.02914	36.9
85.06518	3.4
91.05508	3.4
93.07031	4.2
95.08596	35.9
97.02903	6.6
99.04443	3.5
105.07026	12.5
107.08596	7.1
109.02899	3.1
109.10134	15.6
113.05981	3.4
113.89044	3.4
119.08566	7.6
121.10171	5.4
123.04434	9.2
123.08060	13.5
123.11717	38.1
124.04770	5.6
125.05999	8.6
127.03944	6.9
133.06619	2.8
147.04417	6.8
147.11693	16.5
149.09599	14.2
151.07526	4.9
161.13240	5.3
165.12799	4.3
167.07040	10.4
177.05510	35.7
178.05807	32.4
189.12801	13.5
207.13828	53.5
225.14902	13.2
235.11847	3.4
330.10574	12.9
333.16977	9.0
351.17932	16.0
369.19089	4.2
387.16281	47.4
387.20514	6.5
407.77557	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	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03941	3.1
53.04539	0.9
55.01862	2.7
55.05516	5.4
57.03437	6.8
61.02925	6.2
65.03944	1.0
67.05499	3.9
69.03088	1.3
69.03435	15.9
69.07063	3.0
69.23115	1.1
69.42300	2.2
69.42706	6.2
71.04984	2.6
73.02900	2.5
79.05478	5.8
81.03436	4.8
81.07055	10.1
83.04977	1.4
85.02910	33.9
85.06547	2.2
87.04467	2.6
91.03967	2.4
91.05482	11.4
93.07041	11.2
94.29069	0.9
95.04957	3.7
95.08607	6.6
97.02896	15.8
97.06525	2.4
98.20644	1.3
99.04461	3.4
105.07035	47.7
107.04984	1.4
107.08591	10.6
109.02866	4.1
109.06484	4.7
109.10139	3.3
117.07014	3.6
119.08589	37.1
121.06511	5.3
121.10168	5.0
122.03662	1.2
123.08070	26.8
123.11668	1.6
127.03920	7.6
131.08617	3.0
133.06490	1.1
133.10120	5.1
135.08064	13.6
135.11679	1.5
137.05962	13.7
137.09612	1.9
143.08597	1.1
145.04970	7.4
145.10112	5.6
147.11690	83.5
149.09612	10.2
151.07562	6.9
151.11179	7.7
158.43825	1.0
161.09625	1.0
161.13277	2.8
163.11197	8.9
165.12759	71.0
167.07042	3.7
171.11682	1.2
177.12762	5.1
179.14305	3.2
181.05014	2.9
181.12282	7.1
189.12691	3.3
195.13762	1.8
207.13814	100.0
208.14221	1.6
209.15359	1.7
225.14844	20.2
225.16908	1.5
273.70227	1.0
291.86270	0.9
357.13245	1.7
358.76117	1.1
387.14432	3.5
387.20020	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	387.2012
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
51.58277	0.9
53.03939	3.4
55.01866	5.4
55.05527	2.5
56.72201	1.0
56.96560	1.1
57.03439	9.6
57.07065	3.8
59.04990	3.7
61.02927	11.1
65.03919	1.3
67.05504	4.9
69.03432	31.8
69.07064	2.2
69.74721	5.3
71.04999	5.0
73.02910	3.7
79.05502	5.7
81.03420	12.9
81.07053	8.1
83.04973	5.1
84.08146	1.0
85.02908	87.6
85.06531	3.7
86.09701	2.1
87.04472	5.4
91.03960	6.3
91.05486	6.0
93.07054	5.6
94.04183	1.9
95.04972	5.2
95.08617	10.0
97.02296	1.8
97.02898	26.6
97.06534	6.6
99.04475	6.5
103.05471	2.1
105.07038	10.4
107.04951	3.1
107.08592	7.9
108.05729	1.3
109.02878	8.9
109.06516	4.3
109.10181	2.4
111.04420	1.9
115.05487	1.0
117.07006	2.6
119.08602	7.7
121.06499	7.2
121.10130	6.7
121.17125	1.0
122.03656	2.2
122.07284	2.2
123.04410	2.2
123.08074	55.1
125.05970	6.3
125.09626	2.0
127.03916	25.1
130.07829	1.3
131.04929	2.9
131.08597	2.8
133.06485	4.4
133.10124	5.7
135.08003	4.9
135.11671	2.7
137.05986	33.8
137.09595	1.8
145.04962	30.5
145.06258	1.8
145.10175	5.0
147.04373	1.8
147.08070	1.7
147.11684	4.8
149.09634	3.2
151.03911	2.3
151.07547	100.0
152.07918	1.3
153.09120	3.2
161.09618	2.3
161.13225	2.6
163.06039	2.3
163.07521	3.2
163.11191	55.0
164.11583	1.2
165.05571	1.0
165.09094	1.6
165.12802	1.4
167.07031	10.7
171.11725	1.5
175.07486	1.2
181.04927	8.5
181.08669	1.0
181.12241	34.0
187.07448	1.4
189.12756	23.7
191.06984	2.0
191.14326	4.6
193.08653	2.2
200.03035	1.0
207.13808	85.0
208.14146	2.0
209.15350	4.5
223.13278	1.3
225.14871	11.4
235.09760	1.6
347.53751	1.0
357.13306	2.9
387.14505	8.0
387.20102	53.3
388.20593	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.03944	0.6
55.05503	0.4
56.96577	0.3
57.03419	0.2
65.03939	0.2
65.87556	0.2
66.58055	0.2
67.05499	0.7
69.03426	0.7
69.07063	0.4
79.05489	4.7
80.49792	0.2
81.03418	0.7
81.07041	0.8
83.08611	0.2
85.02890	0.5
91.05470	0.9
93.07049	0.6
95.04973	1.8
95.08585	0.4
97.02908	0.3
103.05463	2.8
105.07030	100.0
106.07360	1.8
107.08599	0.6
109.06505	0.3
109.10133	0.4
117.07005	0.2
119.04937	1.5
119.08588	0.5
121.06510	0.4
121.10119	0.4
123.11700	0.2
127.03932	0.4
129.89542	0.2
131.04974	0.2
131.08559	0.2
137.05977	1.9
147.11710	0.7
165.12756	0.5
167.07057	0.6
181.05054	0.4
197.13284	0.2
200.39221	0.2
229.07707	0.3
243.02856	0.3
285.03955	0.5
313.71481	0.2
331.04550	0.6
357.13303	0.3
368.27213	0.2
369.24182	0.2
387.14505	0.5
387.25101	0.3
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
55.01872	0.5
65.03928	1.7
66.04713	0.9
67.05508	1.0
70.90694	1.1
71.04977	0.3
79.05486	1.3
81.03426	0.8
81.07058	0.5
82.04208	0.5
85.02907	1.4
91.05477	1.6
94.04196	3.2
95.04977	1.0
97.06523	0.6
103.05460	3.1
105.07037	1.0
107.04937	1.4
109.06528	0.3
110.03655	0.6
111.04413	0.8
115.05442	2.0
117.07011	2.2
118.04164	0.7
119.04923	0.4
121.06501	0.6
122.03649	9.5
123.04421	0.9
124.05197	0.4
125.05997	0.5
131.04945	3.1
133.06493	0.8
137.05977	100.0
138.03096	0.5
138.06311	1.2
139.03905	1.1
142.02585	0.3
143.04926	3.3
145.06470	3.6
147.04391	0.3
147.08041	0.7
148.05179	1.6
149.06041	0.6
151.02730	0.7
151.03914	11.1
151.04997	0.5
152.04649	0.3
152.30219	0.3
153.05542	0.3
155.05988	0.5
161.05989	0.9
163.03915	0.6
163.07562	3.2
167.07047	11.2
171.06541	1.1
173.05988	3.3
173.07372	0.4
175.07559	1.3
176.04726	0.5
177.05560	0.4
181.04959	18.9
188.23248	0.3
191.07037	11.0
193.08545	0.4
203.07039	2.0
205.08574	2.4
207.06549	0.6
207.10106	0.4
209.08151	0.7
233.08025	0.9
235.09666	2.2
236.07883	0.3
296.83401	0.4
311.05432	0.4
341.13809	0.4
343.25974	0.4
351.12381	0.6
355.11847	0.9
357.13336	11.8
369.13535	0.4
387.14365	23.7
388.14929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.02374	0.3
53.03934	0.7
55.01867	0.6
55.05502	0.6
55.88376	0.2
56.34301	0.2
57.03424	0.3
65.03938	1.3
66.04727	0.3
67.05508	1.6
68.99795	0.2
69.03422	1.0
69.07066	0.7
70.06872	1.0
71.04990	0.6
71.77792	0.2
77.03912	0.3
78.04695	0.3
79.05501	1.9
81.03408	2.4
81.07052	2.4
82.04189	0.4
83.04954	0.3
85.02911	1.1
91.05479	2.3
93.03436	0.4
93.07065	0.6
94.04185	2.6
95.04980	1.3
95.08592	0.7
97.02898	0.2
97.06524	1.9
99.04446	0.4
103.05467	4.4
105.03385	0.3
105.07023	2.1
106.04183	0.3
107.04957	1.7
107.08578	0.7
108.02104	0.5
109.02887	1.8
109.06512	0.6
109.10146	0.9
110.03655	0.7
111.04443	0.9
113.06020	0.3
115.05459	2.5
117.07028	2.1
118.04163	1.0
119.04970	0.6
119.08588	0.9
121.06507	0.8
121.10162	0.8
122.03649	8.2
123.04445	2.0
123.08034	0.2
123.11713	0.5
124.05188	0.4
125.05986	0.8
127.03928	0.5
128.06226	0.4
129.07010	0.4
130.04164	0.3
131.04929	3.8
131.08563	0.2
132.05725	0.3
133.02890	0.4
133.06479	1.0
133.10152	0.3
134.03654	0.3
135.04401	0.4
135.08018	0.5
137.05977	100.0
138.03185	0.5
138.06303	1.4
139.03911	3.4
139.07581	0.2
141.05466	0.7
143.04880	3.0
143.08614	0.4
145.06490	3.2
146.03600	0.4
147.04434	0.9
147.08069	0.7
147.11670	1.5
148.05180	2.3
148.06223	0.3
149.05969	0.7
151.03911	11.9
151.05008	0.8
151.07567	0.5
152.04654	0.4
153.05446	0.4
155.06023	0.5
159.11703	0.2
160.05191	0.2
161.05956	1.2
161.09619	1.1
163.03905	0.4
163.07538	4.1
165.05481	0.5
165.09122	0.9
165.12769	1.0
165.43944	0.2
167.07042	12.8
168.07446	0.3
171.04514	0.2
171.06554	1.6
173.05980	3.5
175.03902	0.3
175.07542	1.2
176.04692	0.7
177.05469	1.1
179.07036	0.4
181.04955	19.8
183.06512	0.3
185.09792	0.2
187.07489	0.4
189.05391	0.3
189.09129	0.3
191.07033	12.9
193.08638	0.8
193.12198	0.3
195.06421	0.2
199.07587	0.2
201.05444	0.3
203.07008	2.0
205.08560	2.7
207.06517	0.6
207.08296	0.3
207.10162	0.6
217.08513	0.5
219.08211	0.4
219.10188	1.3
221.08055	0.4
233.08055	1.0
234.06746	0.3
235.09645	2.6
248.08232	0.3
249.09175	0.4
265.08591	0.2
267.10046	0.3
276.08035	0.3
277.08588	0.4
293.07947	0.3
297.11316	0.3
307.09796	0.3
309.11209	0.4
325.10553	0.5
327.08661	0.2
327.12268	0.5
333.24475	0.2
337.10803	0.6
351.12177	0.6
351.25284	0.3
355.11929	0.6
357.13342	11.1
358.13773	0.3
369.13449	0.8
369.19131	0.3
387.14401	22.7
388.14609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
53.03938	0.2
55.01855	0.2
57.03431	0.2
61.02845	0.1
65.03914	0.2
66.80399	0.1
69.03427	0.3
71.26029	0.2
71.26360	0.2
72.08145	1.3
78.04706	1.5
79.05486	1.3
81.07033	0.2
85.02898	0.6
86.09717	1.1
91.05479	0.8
93.03367	0.2
93.07037	0.5
94.04222	0.2
95.01334	1.2
95.04971	0.8
96.05763	0.1
97.02876	0.2
103.05457	0.6
105.03440	0.2
105.07040	1.1
106.04151	1.0
107.04959	1.5
109.02905	0.2
109.06529	0.2
115.05376	0.3
119.04919	0.3
121.02819	0.1
121.06510	1.0
121.69024	0.1
122.03636	0.2
123.04429	4.5
124.05206	2.1
125.05992	0.2
133.06487	0.8
134.03609	0.4
137.05962	0.4
141.01813	0.7
146.87248	0.2
147.04489	0.1
149.05960	1.1
151.03896	1.0
151.07562	0.3
152.04689	1.4
161.05997	1.0
163.11206	0.3
166.06239	0.5
167.07033	100.0
168.04222	0.2
168.07379	2.0
175.10753	0.4
177.03900	0.3
179.07028	0.4
181.08536	1.6
181.09718	0.1
185.16455	0.8
189.12726	0.3
193.08603	3.8
193.10294	0.3
194.08957	0.1
207.13773	0.3
211.09666	3.2
213.15988	0.6
225.14708	0.1
250.41112	0.1
285.39969	0.1
297.23596	0.1
387.12170	0.2
387.16354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.87266	0.4
55.01863	0.6
57.03439	0.7
60.08165	49.1
61.02921	1.1
69.03426	3.5
69.92662	2.0
71.04975	0.5
73.02914	0.4
81.03407	1.2
85.02908	6.3
87.04473	0.7
91.05485	5.0
93.07071	0.7
95.04973	19.1
97.02889	3.2
103.05489	2.6
105.51785	0.4
109.02886	0.9
109.06495	0.8
119.04943	39.9
120.05257	0.8
121.06509	2.7
123.04430	84.1
124.04782	1.5
127.03903	1.1
137.05972	1.2
143.05701	0.6
145.05026	0.9
147.04413	36.5
148.04723	0.9
150.05540	1.3
165.05478	100.0
166.05772	2.1
201.04659	0.9
220.70139	0.4
224.12845	1.5
250.65079	0.5
255.13202	0.4
275.51419	0.4
333.27026	0.4
386.18106	67.6
387.18500	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	387.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.05507	0.3
56.96579	0.3
57.03438	0.7
58.65563	0.3
58.70498	0.4
68.22275	0.3
69.03420	0.6
69.86851	1.0
69.87267	0.8
70.06596	0.5
72.08166	2.4
78.04710	2.1
78.65761	0.3
78.69309	0.3
79.05494	0.9
79.06178	0.3
81.07068	0.7
85.02896	1.3
86.09727	2.5
91.05473	1.2
93.07037	1.3
95.01337	1.8
95.04958	1.1
103.05474	0.6
105.07019	1.2
106.04157	1.2
107.04961	0.9
108.27814	0.3
121.06513	1.3
123.04428	5.5
124.05161	1.8
127.03857	0.4
133.06456	1.7
135.04482	0.4
135.11659	0.4
137.05948	0.5
141.01883	0.6
147.04430	0.4
149.05992	1.8
151.03893	1.1
151.07530	0.4
152.04715	1.9
156.97171	0.3
161.05972	1.2
163.11221	1.0
167.07040	100.0
168.07388	1.7
175.10760	0.5
181.08621	1.7
185.16516	1.2
193.08620	4.0
207.06551	0.6
207.13823	0.8
211.09633	2.8
213.15964	0.5
225.14827	0.3
301.86588	0.4
369.19116	0.5
387.16647	1.9
389.69028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
57.03421	0.8
60.08163	46.5
61.02918	0.9
69.03434	2.9
70.66823	0.9
71.04993	0.3
73.02917	0.7
81.03407	1.3
85.02905	4.8
87.04484	0.6
90.06247	0.3
91.03940	0.5
91.05476	5.3
93.07050	0.7
95.04968	16.3
97.02899	2.5
103.05476	1.6
109.02866	0.5
109.06564	0.7
119.04945	35.4
120.05268	0.7
121.06468	1.9
122.05985	0.3
123.04427	72.6
124.04789	0.8
127.03895	1.1
137.06000	1.2
138.05490	0.3
138.67181	0.3
147.04411	31.0
148.04721	0.6
165.05475	100.0
166.05800	2.1
175.74500	0.3
201.04633	0.4
215.51192	0.3
224.09288	0.5
224.12810	1.3
225.76923	0.3
225.88284	0.3
386.18097	77.7
387.18317	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	386.1596
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
54.03463	0.9
55.01881	0.3
55.66803	0.4
68.99782	1.3
69.03445	0.4
69.72964	1.4
69.73373	1.0
70.06591	100.0
71.06911	1.6
77.53916	0.3
79.05490	0.6
81.03386	0.6
81.07055	0.6
84.08207	0.4
85.02912	1.4
87.06057	0.3
91.05477	1.4
93.07024	0.9
95.04970	0.5
95.08602	0.7
103.05447	0.4
105.07033	0.7
107.04994	0.9
109.06504	0.6
110.07160	1.7
119.04951	1.6
119.08524	0.4
121.06516	1.7
123.04427	13.0
123.05325	0.7
123.11684	1.0
124.04738	0.4
130.13428	0.4
135.04442	1.7
145.10094	0.5
147.04402	7.9
149.04886	0.6
149.05971	4.2
159.04442	0.7
161.06010	0.7
165.05486	4.6
167.06973	1.7
168.07321	0.5
175.07445	0.7
177.05463	54.2
178.05804	1.8
188.07045	0.5
207.06525	1.2
207.13800	1.5
234.11217	4.2
260.07907	0.4
329.10214	12.0
330.10443	0.6
368.21762	0.4
380.42010	0.4
386.15970	43.3
387.16354	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	386.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
54.03467	0.3
55.01876	0.9
55.04252	0.6
56.96566	0.3
58.47947	0.4
60.08180	0.3
61.02925	0.6
63.04808	0.3
65.03931	0.3
67.05512	0.8
68.05017	0.3
68.99791	0.8
69.03439	2.3
69.07079	0.6
70.06596	100.0
70.66544	0.5
70.66897	1.0
71.04961	0.4
71.06926	1.3
72.08128	0.4
73.02925	0.4
77.03915	0.4
79.02998	0.4
79.05488	0.7
81.03426	0.9
81.07058	1.2
83.05006	0.4
84.04480	0.5
84.08127	0.4
84.94781	0.3
85.02913	3.0
86.09728	1.7
91.05469	2.4
93.07079	0.6
95.04970	1.2
95.08623	0.7
96.05273	0.4
97.02890	1.9
97.06556	0.4
99.04474	0.6
99.33373	0.4
101.55817	0.3
103.05451	0.6
105.03410	0.3
105.07040	1.4
107.04960	1.9
107.08604	0.7
109.02885	0.5
109.06512	0.6
110.07181	1.4
115.05430	0.5
116.26365	0.3
116.98631	0.3
117.07011	0.7
119.04951	3.2
119.08597	0.9
120.08086	0.6
121.02880	0.4
121.06507	2.2
121.10174	0.4
122.06039	0.3
123.04430	16.2
123.08086	1.7
124.04725	0.4
125.06021	0.6
127.03922	1.1
131.04926	0.8
133.06505	0.9
133.10155	0.7
135.04465	1.7
135.11708	0.4
136.07625	1.0
136.12065	0.4
137.06003	2.7
137.09642	0.7
143.05659	2.9
144.04077	0.4
145.04990	0.7
145.06522	0.9
145.10023	0.4
147.04420	11.0
148.05103	0.3
149.06004	3.2
149.09532	0.4
151.03894	0.8
151.07547	2.9
153.05429	0.4
159.04424	0.5
161.05922	1.9
161.09540	0.6
161.13332	0.4
163.03893	0.7
163.07532	0.5
163.11217	1.3
164.04265	0.3
164.50143	0.3
165.05479	5.7
167.07057	10.2
167.08440	0.7
173.05972	0.7
173.95575	0.4
177.05478	34.4
178.05905	1.1
179.07141	0.6
181.04854	0.4
181.12309	1.1
187.07550	0.4
189.05528	0.9
189.12755	0.7
191.07069	0.4
193.08527	1.0
201.05502	0.4
203.06989	0.5
206.12279	0.4
207.06493	1.8
207.13840	2.6
225.14818	0.8
233.08176	0.9
234.11246	0.8
261.07571	0.6
291.08386	0.4
311.09134	0.7
329.10205	14.1
330.10663	0.6
368.20737	0.5
369.12515	0.6
386.15967	30.4
387.08670	0.8
387.16473	1.6
387.20190	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.3
53.03965	0.3
54.03467	0.8
55.04243	0.4
65.09361	0.3
68.99796	1.0
69.03406	0.4
70.06593	100.0
70.51585	0.6
70.51966	0.6
71.06921	0.9
72.92326	0.3
79.05504	0.5
81.03423	0.4
81.07064	0.6
83.41060	0.3
91.05474	1.3
93.07080	0.5
95.04992	0.3
97.02893	0.3
105.02957	0.3
107.04974	1.2
119.04954	2.3
121.06498	2.3
123.04424	11.6
131.04895	0.7
133.06474	0.3
135.04408	2.1
137.05988	0.4
137.55983	0.3
147.04405	7.3
149.05997	5.1
150.99564	0.3
159.04407	0.8
161.05994	0.4
165.05479	3.9
165.54294	0.3
167.07048	1.1
173.06096	0.5
175.07588	1.0
177.05470	56.1
178.05876	1.5
191.06941	0.3
207.06451	1.4
216.32080	0.3
219.06587	0.3
224.06493	0.3
234.11249	3.8
257.51047	0.3
277.74500	0.3
322.83527	0.3
325.51382	0.3
329.10193	12.5
330.10574	0.8
383.65085	0.3
386.15976	39.5
387.16229	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1283
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
55.05502	0.3
61.02893	0.3
65.03909	0.4
67.05509	1.4
69.03413	0.8
71.35739	0.3
71.36070	0.4
79.05472	0.8
81.07022	0.9
83.02328	0.2
83.85516	0.3
85.02881	0.6
85.06509	0.8
91.05468	1.4
93.07013	0.6
94.07499	0.3
95.04940	0.4
95.08588	0.5
97.02853	0.6
97.06535	0.2
105.07009	0.8
107.04912	1.0
107.08593	0.4
119.08560	0.3
121.06520	0.7
121.10175	0.3
122.03622	0.4
123.04379	0.5
129.31750	0.3
131.04913	0.3
134.03632	2.2
135.04391	0.4
137.05942	1.2
143.05679	0.4
147.04396	0.5
149.05957	0.3
151.03853	0.8
163.03842	1.1
165.01779	0.6
165.05354	0.3
167.06982	1.8
173.06041	0.3
175.03902	0.4
177.05437	0.4
177.09056	0.3
179.06992	0.3
181.04948	1.2
183.02773	0.3
191.03441	0.3
194.11247	0.3
195.06528	0.4
201.05498	1.6
207.06461	0.8
213.05487	0.8
214.06264	0.6
223.05989	1.8
241.04987	2.6
242.05739	1.4
243.06383	0.4
251.79996	0.3
253.04962	0.7
261.09402	0.3
263.07053	0.6
267.06549	0.3
269.04385	0.5
270.05219	4.5
271.05704	0.3
277.08282	0.3
281.04584	0.3
281.08023	0.3
285.07611	0.4
286.04672	0.4
295.06018	0.6
295.09503	0.4
297.04059	0.6
297.07312	0.4
298.04724	37.3
299.05063	1.5
301.07117	1.7
301.10184	0.4
303.59991	0.3
309.07431	0.5
310.04626	0.5
313.07059	100.0
314.07364	2.6
315.08307	0.3
325.07074	1.0
325.10605	0.4
334.08282	0.4
335.09250	0.3
337.07074	1.2
349.10806	0.4
352.09427	1.6
353.10303	0.3
367.11774	10.7
370.43039	0.3
385.12823	29.2
385.29260	2.7
386.13239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.128
Annotation	Anagyroidisoflavone A
Peak:m/z	Relative Intensity
55.05501	1.8
56.96571	1.2
62.54112	0.9
67.05512	3.9
69.03435	0.9
69.91117	3.7
72.38003	0.6
79.05494	1.7
80.80193	0.6
81.07053	2.7
83.04979	1.0
84.88680	0.6
91.03940	0.7
91.05498	2.0
93.07016	1.7
95.04977	1.0
95.08582	1.4
98.20839	1.0
102.15157	0.8
105.07048	2.6
107.08587	1.4
109.10158	1.0
119.08543	0.8
121.10107	0.8
123.04444	0.7
134.03606	1.4
145.10184	0.7
147.11684	0.7
149.02312	0.7
152.53947	0.6
153.01842	1.1
157.10030	0.8
169.06519	0.9
169.58009	0.6
197.06027	1.2
201.05550	0.9
221.04445	1.4
225.05479	1.0
229.08618	2.5
241.05022	1.4
242.05688	0.9
253.04982	1.5
267.06537	1.3
268.11017	0.8
270.05234	1.9
281.04922	0.9
281.08102	1.7
285.07675	2.4
295.06107	1.5
295.09573	0.7
297.07678	2.4
298.04739	19.1
299.05270	0.7
301.07007	2.2
309.07535	3.3
310.04739	0.9
313.07071	41.8
314.07516	2.3
325.07089	3.5
325.10672	1.2
327.08490	0.9
334.08295	1.5
337.07114	6.8
338.07767	1.9
339.08356	0.9
349.10693	3.3
351.08975	1.0
352.09433	8.9
353.09875	0.9
367.11786	34.9
367.22891	1.1
368.12204	1.5
384.30945	9.4
385.12839	100.0
385.31186	23.4
385.36295	1.1
386.13232	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	385.128
Annotation	Gancaonin D
Peak:m/z	Relative Intensity
51.20856	0.4
55.64294	0.4
60.03911	0.4
120.59692	0.4
127.95538	0.5
131.81990	0.4
134.03610	1.9
146.74448	0.4
151.03909	0.6
155.04993	0.4
165.01826	0.6
175.03876	0.7
201.05533	1.2
203.03381	2.0
208.03629	0.5
219.06583	0.7
221.04401	2.7
236.06718	0.8
237.05710	0.5
239.06810	0.4
241.04990	1.0
242.05725	0.6
250.09877	0.6
253.04985	1.1
253.08655	0.6
261.08963	0.5
262.52005	0.5
263.07043	0.7
265.04996	1.0
267.06427	2.1
270.05203	1.6
277.08600	1.5
281.08115	3.6
282.05206	1.3
293.04428	0.7
295.06033	2.8
295.09479	1.0
297.07562	3.0
298.04700	12.8
299.05103	0.7
301.07147	1.0
306.08914	0.8
307.09595	0.7
309.07544	5.7
310.04794	2.0
310.08179	0.8
311.09155	0.9
311.12546	0.5
313.07059	23.8
314.07523	0.8
317.08072	0.6
319.06171	0.5
321.11276	0.5
322.04767	0.6
323.05383	1.7
323.08893	0.6
324.06281	1.0
325.07050	5.0
325.10675	1.0
327.08774	0.6
334.08411	2.6
335.09100	1.3
337.07053	11.7
338.07639	2.5
339.08582	1.2
339.12259	1.0
349.10617	3.9
351.08551	1.5
352.09412	14.2
353.09778	0.8
367.11761	100.0
368.12073	3.8
385.12823	3.1
385.23154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1284
Annotation	Licopyranocoumarin
Peak:m/z	Relative Intensity
52.81934	0.2
55.01862	0.3
55.05503	0.5
56.96550	0.5
57.03434	0.3
57.22233	0.2
59.04986	0.9
65.03921	0.7
67.05514	2.1
69.03413	0.3
69.07041	0.4
70.03496	1.1
76.70744	0.2
79.01858	0.5
79.05479	1.0
80.64979	0.2
81.03395	0.7
81.07057	1.3
83.04971	0.4
83.08601	0.6
91.05486	1.3
93.07028	1.0
95.04955	0.6
95.08567	0.7
97.06516	0.5
105.07017	1.1
107.04963	0.5
107.08598	0.6
108.75401	0.3
109.06491	0.4
109.10143	0.6
117.07024	0.5
119.08548	0.5
121.02878	0.4
121.06509	0.5
121.10103	0.5
123.04422	2.3
123.08073	0.3
129.07001	0.7
131.08534	0.5
133.02837	0.5
133.06528	0.3
133.10126	0.5
134.03636	2.0
135.04440	0.2
135.08098	0.3
135.11719	0.3
137.02324	0.5
137.05959	0.6
141.01830	0.4
141.06926	0.4
143.08527	0.3
145.06464	0.4
145.10130	0.4
147.04375	0.4
149.02344	0.5
149.05974	0.5
150.03091	0.2
151.03871	0.6
153.01836	0.5
155.03349	0.2
159.10295	0.2
159.11684	0.3
160.31964	0.2
161.05939	0.5
161.09570	0.3
163.03928	0.2
165.01836	0.5
167.03409	0.4
167.07104	0.2
169.06544	0.4
171.07976	0.3
172.05167	0.3
175.03836	0.3
176.01019	0.3
177.01828	0.3
179.03395	0.4
183.02881	0.7
185.06046	0.2
193.05034	0.3
193.12207	1.2
194.02127	0.3
196.05168	0.4
197.05965	0.8
203.03424	0.6
213.05551	0.7
214.06273	0.8
215.14357	0.4
221.04428	0.8
225.05421	0.6
226.06047	0.3
227.07011	0.4
229.08585	1.3
229.12209	0.3
233.09819	0.3
236.06760	0.4
237.05550	0.4
241.04996	3.1
242.05724	1.1
249.11240	0.5
253.05055	1.1
253.08502	0.5
254.05656	0.4
255.06526	0.6
259.06140	0.4
261.09167	0.4
265.04904	0.7
265.08481	0.3
267.06488	1.0
269.04440	0.7
269.07947	0.3
270.05243	4.3
271.05853	0.4
281.04465	0.9
281.08060	1.0
282.05176	1.0
282.07986	0.3
283.06061	1.4
285.07520	1.7
291.06552	0.2
293.04526	0.6
293.11630	0.3
295.06140	1.3
295.09286	0.4
296.10077	0.3
297.04041	0.7
297.07629	1.7
298.04733	34.3
299.05142	1.9
301.07150	1.0
303.04990	0.2
307.09662	0.5
309.07520	2.0
310.04877	1.2
310.07983	0.4
311.05435	1.0
311.08990	0.4
312.06448	1.0
313.07056	55.9
314.07388	2.6
321.07672	0.4
321.11038	0.4
323.05563	0.5
324.06345	0.6
325.07108	5.3
325.10751	0.8
326.07568	0.3
327.08609	1.8
333.07449	0.4
334.08395	1.1
335.09177	0.5
337.07053	3.7
338.07819	1.1
339.08630	0.5
339.12341	0.9
349.10742	2.1
350.03766	0.3
351.08514	0.6
352.09384	5.3
352.13477	0.4
353.09940	0.4
367.11768	21.2
367.22559	0.8
368.12042	1.1
370.10736	1.2
385.12814	100.0
386.13147	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	385.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01874	3.6
56.96560	2.3
57.03442	1.4
61.02934	1.9
65.03928	1.6
69.03416	1.8
70.06588	2.4
70.74842	4.0
77.24384	1.0
79.05494	8.0
81.03426	2.4
83.01323	2.0
83.05014	1.7
85.02909	3.6
88.04140	1.1
89.03937	1.6
91.05477	4.9
95.01334	2.3
95.04989	6.2
97.02914	3.5
98.97592	1.5
103.05465	8.7
105.07032	59.8
107.04974	2.5
109.02897	1.4
111.04466	2.3
115.05453	14.3
117.07040	3.5
118.04206	5.3
119.04948	1.7
121.02901	1.8
123.04443	9.1
127.03921	2.7
127.12057	1.1
131.04935	5.0
132.05748	2.3
133.02895	1.9
133.06496	56.8
134.06842	1.3
135.04446	4.2
137.02359	1.5
140.04710	2.2
143.04938	2.2
143.06044	2.9
145.02913	1.7
145.06487	6.5
147.04419	6.1
147.08031	1.7
151.03912	2.4
155.04997	1.2
155.07037	3.9
157.06514	2.1
161.05988	100.0
162.06395	2.2
163.03883	5.6
165.05511	1.2
167.07048	24.4
169.04953	1.0
173.06036	3.7
175.03918	2.4
175.06119	1.9
175.07550	3.1
177.05527	1.2
178.06242	1.4
179.03372	6.1
179.07095	1.3
181.04936	2.9
183.06551	3.1
186.03215	1.5
187.04004	1.3
187.07561	1.9
189.05574	3.0
190.06264	2.9
191.07065	2.7
192.07901	2.4
193.08612	59.6
194.09044	1.8
201.05518	2.7
203.07074	2.0
205.08594	6.5
207.06564	8.2
213.05507	1.4
215.06976	1.5
216.04218	1.3
217.05113	1.6
219.06548	4.9
221.08096	2.7
223.06049	2.5
223.09515	1.2
229.05028	2.7
231.06548	6.4
233.04427	5.7
233.08150	4.0
234.08910	2.1
235.09599	1.7
245.08125	2.6
247.06151	1.7
247.09912	1.3
249.07433	1.2
251.09157	21.7
253.07591	2.4
257.04391	1.2
261.07617	13.1
263.09174	3.3
273.07715	1.7
275.09277	3.6
277.07156	1.3
279.08859	1.4
287.08929	1.3
289.07138	3.1
293.10196	3.4
307.08044	5.3
319.08273	1.7
323.11490	1.2
367.10324	1.5
385.11227	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	384.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01873	6.2
57.03431	5.7
57.07064	3.6
61.02929	5.3
68.99782	2.8
69.03427	37.0
69.58088	10.1
71.04990	3.8
73.02916	7.7
73.38472	1.2
79.05479	1.6
81.03411	24.8
81.66422	1.1
85.02907	100.0
86.09704	1.4
87.00830	47.2
87.04465	3.0
91.03949	2.3
91.05488	2.7
95.04929	1.6
97.02894	36.3
99.04457	14.4
105.01866	82.5
105.07043	1.4
106.02190	1.4
106.83498	1.2
109.02879	31.5
115.03846	1.7
117.01850	2.6
119.10675	6.0
127.03917	77.3
128.04173	1.3
129.01860	3.7
137.05986	2.4
145.04962	38.3
147.02867	2.5
153.05414	2.6
159.02895	15.2
161.11736	1.2
163.04112	1.2
189.03973	4.3
213.03809	5.7
223.06152	1.6
231.04987	26.3
249.06099	9.0
269.97470	1.3
313.07034	3.2
370.35901	1.5
385.13266	3.2
385.18344	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20771	1.8
55.01861	6.8
56.55459	1.4
56.96547	7.0
57.03435	3.3
57.94185	1.5
60.08161	2.2
61.02923	2.9
65.03939	2.0
67.05503	2.5
69.03413	6.5
70.06596	14.1
71.41068	3.0
72.08125	1.7
73.02919	2.4
78.04700	3.2
79.05485	6.3
81.03406	4.0
81.07049	1.7
83.01327	6.5
83.04967	1.9
84.04494	2.4
84.08138	4.5
85.02893	12.3
86.09694	2.4
87.04477	2.6
88.02207	9.6
89.03919	7.0
91.05492	8.4
94.96464	1.6
95.04964	10.6
95.81975	1.4
97.02885	6.5
98.97601	8.2
99.04444	3.0
101.96703	1.6
103.05461	9.6
105.03393	1.9
105.07031	64.3
107.04942	6.1
109.02813	2.6
110.07168	3.6
111.00848	1.9
111.04426	4.6
113.02397	3.2
115.03918	5.5
115.05449	14.4
116.07059	2.2
116.98653	8.6
117.03363	5.5
117.07018	4.4
118.04133	4.8
119.04932	5.6
121.02857	2.9
123.04446	22.8
123.05352	2.9
125.02393	1.9
126.05434	1.6
127.03928	5.1
128.98567	2.8
131.04924	6.1
132.05765	2.3
133.02850	7.4
133.06491	56.2
134.02731	11.3
134.03564	2.6
134.06885	1.9
134.99672	5.2
135.04425	14.1
136.06192	18.0
136.07133	2.0
136.07646	2.3
137.02312	6.3
137.05937	4.0
139.03882	2.4
140.04668	2.1
141.07066	1.8
143.03369	3.9
143.04942	2.1
143.06021	4.9
144.04019	1.9
145.02838	9.5
145.05070	1.7
145.06480	8.6
146.06122	1.8
146.99643	3.1
147.04413	10.6
148.03938	1.6
149.01186	2.0
151.03889	8.9
155.04799	2.0
155.07033	3.5
160.05219	3.3
161.02364	5.6
161.05984	100.0
163.02588	2.0
163.03925	37.1
164.04208	4.2
164.07043	6.2
165.05473	3.1
167.07033	32.5
172.05251	2.3
173.05978	5.7
175.03850	5.4
175.07561	3.8
175.11874	1.9
177.00696	4.8
177.05394	1.9
178.06140	2.3
179.03410	19.9
179.07040	1.8
181.05032	2.3
183.06535	5.6
185.05928	2.6
188.04665	4.2
189.05435	3.4
190.06290	4.1
191.07014	5.6
192.07796	2.8
193.04953	2.6
193.08624	58.0
201.05466	4.3
205.08630	4.7
207.06447	8.8
217.04979	4.1
218.00833	2.8
218.05554	2.4
219.01794	2.8
219.06520	4.7
221.04550	2.2
221.08089	8.1
223.05916	4.1
229.05077	2.1
231.06537	11.4
233.04491	6.1
233.08112	4.3
234.09013	2.6
237.02777	5.4
239.55251	1.9
245.08154	2.6
249.07564	3.3
251.09154	20.1
261.07523	9.9
263.09143	2.6
273.07504	2.5
275.09100	3.8
277.06851	1.9
279.08719	2.3
293.10214	2.8
303.08609	1.8
307.07980	4.4
367.10214	2.5
367.17126	2.4
385.11951	5.8
385.17313	3.7
385.25757	2.8
386.34048	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11830	0.2
55.05516	1.2
55.26478	0.3
56.96555	0.5
57.03426	0.5
60.74443	0.3
64.10857	0.3
65.03922	0.5
67.05502	2.5
69.03423	0.8
69.07050	0.9
69.89137	0.5
69.89555	0.9
72.08155	0.3
79.05492	1.4
81.03425	0.6
81.07057	2.3
83.04958	0.4
83.08622	0.6
85.02872	0.4
85.06528	1.7
91.05483	2.0
93.07030	1.4
95.04964	0.8
95.08593	0.9
97.02841	0.4
97.06532	0.6
97.10143	0.4
98.97560	0.5
100.11268	0.5
105.07053	1.0
107.08592	1.0
109.06481	0.8
109.10163	1.7
111.08068	0.4
115.05496	0.3
116.98564	0.3
117.07054	0.3
119.04937	0.7
119.08602	1.0
121.10120	0.8
123.08054	0.5
128.06139	0.3
129.07033	0.6
130.06494	0.3
131.08603	0.3
133.10129	0.8
137.05994	0.3
140.41794	0.3
145.02853	0.3
145.06425	0.4
145.10152	0.4
146.05966	0.3
147.04446	0.7
147.08025	0.3
149.02341	0.7
153.01819	0.7
159.11655	0.4
161.13356	0.3
163.03958	0.7
167.03421	3.4
171.11604	0.4
173.11821	0.5
175.03900	0.8
191.07062	0.4
207.06549	1.4
221.04434	0.4
221.08067	0.4
221.15515	0.3
229.08505	0.5
247.07289	0.3
247.09706	0.3
257.04428	0.4
259.08224	0.3
275.07126	0.3
285.07498	1.1
286.04678	0.3
291.10071	0.5
291.19516	0.3
298.04605	0.4
311.05563	0.7
313.06766	0.5
325.07037	0.5
335.24161	0.3
337.22690	0.5
341.09946	0.6
351.12454	0.5
365.10153	0.3
365.24780	0.4
383.11050	5.4
383.14975	1.7
383.23767	4.2
383.27679	100.0
384.11407	0.6
384.27802	2.8
409.64746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.05391	2.5
53.03943	7.4
54.94662	2.9
55.01873	5.1
55.05518	17.4
56.96554	5.0
57.07058	8.4
59.04993	6.3
65.03937	5.4
67.05514	44.6
69.03435	16.1
69.07058	10.0
69.34724	17.3
69.35143	9.9
71.04980	6.5
76.84060	2.9
79.05500	31.6
81.07062	31.3
83.04966	5.3
83.08604	5.9
85.06532	4.9
91.05487	56.6
93.07044	100.0
95.04961	27.8
95.08612	51.9
97.06523	15.1
105.07031	86.5
107.04945	3.6
107.08592	42.9
109.06529	21.8
109.10147	27.6
111.08080	13.0
115.05453	3.2
116.06291	3.0
117.07017	10.8
119.08594	58.0
120.09357	3.3
121.06480	17.1
121.10139	49.1
123.08077	37.9
128.06219	8.3
129.07011	16.2
130.07759	4.2
131.08578	27.3
133.06487	7.5
133.10118	29.7
135.08072	19.7
135.11656	5.6
137.05969	6.6
137.09598	10.2
141.07059	3.2
142.07767	20.5
143.08560	25.4
144.09314	3.1
145.10124	41.5
146.07208	4.1
147.08041	27.9
147.11656	15.4
149.09642	26.7
151.07547	44.3
153.09120	5.2
155.08516	8.3
156.09378	8.3
157.10135	50.8
159.08047	10.7
159.11635	19.9
161.09612	20.0
161.13254	7.7
163.11189	6.9
165.09142	38.4
169.10158	7.1
170.10876	10.4
171.11653	8.9
173.09648	13.8
173.11897	3.7
173.13252	7.4
175.11179	26.6
175.14844	8.9
177.09099	12.0
181.10042	3.9
183.11731	4.5
185.09676	3.7
185.13268	22.8
185.26062	3.1
187.11150	8.5
189.12755	8.9
191.14377	4.2
195.11694	4.5
197.13274	7.6
201.12758	6.9
203.14296	30.5
207.11794	2.8
207.13786	10.9
209.13310	6.5
209.15353	8.2
211.14804	3.7
215.10645	3.1
215.14340	9.5
217.12146	4.1
219.13786	4.7
221.15359	76.4
222.15645	3.4
225.12825	2.8
227.14337	5.6
229.12378	3.3
233.15359	8.6
234.16072	8.1
267.17322	5.2
271.16833	3.8
286.19351	5.5
287.19958	10.6
299.19943	4.9
303.19501	7.9
309.18378	7.0
359.60861	5.6
365.24789	9.5
383.25769	89.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2579
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02354	2.4
53.03928	2.9
55.01865	3.8
55.05511	15.4
56.96565	15.3
57.03418	3.5
57.07074	13.9
58.80894	1.9
59.04990	6.5
65.03923	3.5
67.05502	38.8
69.03429	13.8
69.07063	8.9
70.73837	7.4
71.04986	7.8
77.03947	3.1
79.05489	32.1
81.03413	3.4
81.07060	44.4
83.04965	6.9
83.08612	5.9
85.06536	5.8
88.31667	2.0
91.05475	45.9
92.05811	3.0
93.07045	100.0
95.04963	28.4
95.08608	42.5
96.67834	2.5
97.02888	2.1
97.06535	14.2
105.07027	86.1
107.04957	4.2
107.08595	41.1
109.06528	25.2
109.10159	27.3
111.08084	7.2
115.05523	2.9
117.07019	14.8
118.23798	2.2
119.08579	60.7
120.09377	2.3
121.06519	11.9
121.10154	36.9
123.08066	29.9
128.06226	12.5
129.07007	15.9
130.07805	4.8
131.08575	31.0
133.06491	10.5
133.10124	32.7
135.08057	19.9
135.11696	5.7
137.09598	12.2
141.06961	6.3
142.07811	19.3
143.08569	25.1
145.06454	3.0
145.10124	38.8
146.07364	3.1
147.08054	27.1
147.11674	16.2
148.08850	4.4
149.09616	22.9
151.07542	35.2
153.09132	2.4
154.55075	2.3
155.08574	7.5
156.09325	11.8
157.10123	44.5
159.08037	10.6
159.11702	19.2
160.08803	4.5
161.09593	23.1
161.13258	10.1
163.11180	10.2
165.09096	39.1
167.08514	3.4
168.09326	3.4
169.10115	10.4
170.10857	5.7
171.11690	7.2
173.09647	10.9
173.11894	2.2
173.13264	8.2
174.10342	3.3
175.11206	20.9
175.14856	8.7
177.09157	12.2
179.08646	3.1
181.10176	5.9
181.12320	2.4
182.10965	2.2
183.11673	5.2
185.09583	2.5
185.13223	21.0
187.11113	5.8
187.14821	3.5
189.12732	11.0
195.11687	4.5
197.09604	3.0
197.13309	5.3
199.11154	3.2
199.14774	2.8
201.09122	2.2
201.12735	10.9
203.14319	36.6
207.11948	4.6
207.13820	14.0
209.13455	3.3
209.15401	5.8
211.11237	2.4
211.14806	3.1
213.12737	4.5
215.14305	7.1
216.14845	2.4
219.13785	4.7
221.15355	69.8
222.15785	3.6
223.14755	2.6
225.16293	3.3
227.14391	6.1
233.15363	5.8
234.16183	9.5
268.80887	2.1
269.19101	2.7
270.33221	2.2
271.16562	2.4
274.19388	3.4
280.11908	2.3
281.19052	3.6
285.18445	2.4
286.19299	7.9
286.56049	2.9
287.19977	10.6
296.07733	2.8
299.20163	5.7
303.19604	8.1
309.18570	3.5
322.59204	3.3
323.09537	4.5
323.59473	5.3
325.09515	3.0
325.21896	2.8
347.23672	3.1
359.60800	7.6
365.24719	12.5
371.11749	3.2
383.25763	76.4
384.25815	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03937	4.7
55.01860	5.6
55.05519	20.4
57.07061	10.8
57.07322	3.1
59.05000	6.1
65.03953	5.0
66.50320	2.3
67.05504	77.1
69.03432	16.5
69.07066	12.3
69.28812	27.1
71.04986	6.9
79.05486	39.0
81.03420	5.7
81.07056	46.0
83.04971	9.1
83.08611	12.6
85.06536	8.0
85.45100	2.2
91.05473	54.6
93.07043	100.0
94.07368	4.2
95.04964	29.8
95.08598	50.1
97.06516	12.3
97.10179	4.4
98.20602	2.0
103.05466	4.4
105.07026	83.0
107.04922	4.5
107.08596	52.3
109.06512	28.2
109.10153	52.6
111.04436	4.5
111.08079	12.8
116.06285	2.5
117.07024	14.0
119.08569	62.0
121.06499	15.7
121.10139	51.6
122.07297	2.9
123.08065	38.4
123.11707	3.3
125.09602	3.2
128.06229	10.0
129.06987	16.2
130.07761	5.3
131.08568	33.8
133.06499	9.5
133.10115	28.4
135.08043	25.2
135.11678	8.9
137.05945	5.9
137.09613	13.9
141.07021	5.3
142.07800	19.0
143.08566	24.5
144.09335	5.1
145.06442	3.6
145.10112	44.3
147.08040	23.4
147.11703	15.1
148.08813	3.2
149.09619	28.8
150.10225	2.7
151.07539	48.8
151.08662	4.6
153.09076	6.8
155.08589	8.8
155.10582	4.0
156.09338	10.5
157.10118	40.3
158.10675	2.9
159.08052	7.5
159.11681	16.0
160.08884	3.2
161.09598	26.1
161.13304	7.6
163.11176	10.6
165.09097	36.2
167.08594	3.3
169.10109	11.4
170.10886	6.1
171.11731	10.1
173.09653	12.4
173.11745	16.4
173.13271	7.2
175.11153	24.0
175.14841	8.6
177.09108	15.1
178.09853	2.6
179.08543	3.6
181.10118	4.4
181.12238	7.2
182.10944	6.5
183.11682	8.5
185.13251	16.8
186.10307	2.4
187.11136	6.7
187.14871	5.7
189.12691	12.0
191.10767	4.9
191.14333	3.3
193.10115	2.7
193.12172	2.7
195.11754	4.8
197.13268	6.3
199.11171	3.5
200.12054	2.8
201.12779	10.5
203.14297	30.1
205.12053	3.2
207.11800	5.5
207.13837	11.0
209.13464	7.1
209.15337	3.4
213.12741	5.1
215.14301	11.4
216.14919	3.3
217.12366	3.7
219.13809	7.4
221.15346	75.0
223.14841	2.9
225.12866	3.9
225.16379	3.3
227.14348	5.8
229.16228	2.7
231.13818	3.9
233.15378	9.6
234.16182	14.1
243.13956	4.5
267.17438	2.5
271.16913	3.2
273.18555	3.5
274.19183	3.3
281.18964	4.6
286.19260	2.6
287.20102	8.5
299.20148	6.2
303.19577	9.5
309.18344	3.4
365.24722	16.6
383.25720	82.6
383.30527	4.0
384.25903	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.01876	4.2
55.05514	18.3
56.96562	4.7
57.03442	8.4
57.12553	1.9
59.04993	7.7
60.09362	1.8
61.02913	2.4
65.03946	1.8
67.05505	100.0
67.74787	1.6
69.03416	6.0
69.07067	13.3
71.04983	5.6
79.05496	18.7
81.03422	5.2
81.07059	35.3
82.05756	1.6
83.04984	7.3
83.08606	8.3
83.45682	1.7
85.02915	4.2
85.06544	5.7
91.05486	22.0
93.07047	22.3
95.04993	10.9
95.08604	20.2
95.19154	2.3
95.68102	1.8
97.02906	2.7
97.06544	3.2
97.10150	4.3
99.04489	1.7
99.08115	2.2
99.25628	1.7
105.07046	16.6
107.04947	5.8
107.08600	17.2
108.08127	1.7
109.06503	5.4
109.10156	68.4
111.04450	2.3
111.08091	7.1
115.05450	1.9
117.06995	4.7
119.04916	3.1
119.08577	17.0
121.06490	2.6
121.10143	9.0
123.04463	4.1
123.08092	8.3
123.11745	2.7
125.09621	6.5
129.07004	3.6
131.08574	7.3
133.06526	4.8
133.10109	12.3
135.08026	4.3
135.11714	3.9
137.05998	5.0
137.09602	6.6
141.06982	3.1
143.08549	3.4
145.10123	5.1
146.06009	1.9
146.99742	2.5
147.04416	3.7
147.08049	2.7
147.11661	5.7
148.72678	1.7
149.09633	4.7
149.13350	1.8
151.11179	5.7
155.10663	2.6
157.10170	5.0
159.08055	3.6
159.11707	4.0
161.09685	3.9
165.09167	2.6
167.03430	2.1
169.12270	2.0
171.11742	4.1
173.11713	21.1
175.11298	2.0
177.09189	2.2
181.68401	1.7
185.13335	2.4
189.11226	4.7
193.12323	4.7
203.14340	2.8
207.06503	8.0
222.12572	2.0
227.13040	2.0
245.19109	2.3
253.04991	1.9
255.17351	3.0
257.04572	2.7
267.06393	2.1
269.08194	2.1
273.18466	10.5
287.05484	2.3
291.19543	22.2
298.04657	14.5
299.05374	2.5
311.05472	5.7
313.07019	18.4
322.08325	2.2
325.07129	5.6
326.07910	5.6
337.10577	1.9
338.11169	2.2
339.12210	2.4
341.10199	32.2
350.07834	5.2
353.10239	6.0
353.25369	3.3
355.11819	5.2
365.10297	9.0
365.23315	13.1
367.65765	2.5
383.11130	60.4
383.14752	5.4
383.23999	14.7
383.28128	63.4
384.11591	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01862	5.6
55.05509	7.8
56.96560	0.9
57.03425	4.3
57.07060	1.7
59.05012	1.0
67.05502	29.9
69.03414	1.1
69.07076	7.5
71.04977	2.2
79.05500	8.2
81.03422	0.7
81.07054	31.8
83.04978	3.5
83.08615	3.5
85.06532	1.6
86.09701	0.9
91.05489	5.2
93.07047	6.9
95.04935	1.5
95.08603	9.0
97.06528	3.1
97.10136	0.9
98.21549	1.0
100.26067	0.6
101.09676	0.7
105.07029	5.2
107.08577	5.8
109.06512	11.9
109.10156	23.9
111.04446	18.0
111.08084	1.9
113.06033	0.9
117.07019	1.3
119.08587	7.3
121.10156	5.4
123.08075	2.7
123.11674	0.9
125.05981	7.5
129.06979	0.8
131.08607	3.0
133.06500	0.8
133.10120	4.5
135.08092	2.7
135.11661	5.1
137.05975	100.0
137.09612	1.9
137.13220	1.9
138.06300	1.6
139.07498	1.6
143.08556	1.3
145.10141	2.2
147.08032	2.1
147.11668	7.8
149.09599	4.2
149.13181	1.0
151.07533	2.9
151.11169	1.1
153.01924	0.7
155.10677	1.1
157.10083	2.4
159.11688	1.6
161.09602	6.3
161.13264	2.9
163.11183	2.9
163.14816	1.1
165.09160	2.5
165.12880	0.8
167.10635	1.1
171.11691	1.7
173.11768	6.3
173.13144	1.1
175.11221	5.2
175.14836	1.4
177.09030	0.8
177.12750	1.0
179.10683	2.6
181.12253	0.8
189.12794	1.6
193.12260	1.7
203.17952	6.1
205.19476	1.0
210.17407	0.7
213.16336	3.2
221.19037	1.9
223.14955	0.7
229.04836	1.0
229.16339	0.7
231.17458	9.2
231.19595	1.0
241.15889	1.8
249.18489	13.7
257.04453	7.1
258.04977	1.1
259.17007	0.8
277.17984	59.6
278.18289	1.7
286.04742	1.8
287.05453	4.4
295.19037	26.5
295.22415	1.5
334.38235	0.6
351.21597	4.9
383.11218	17.0
383.16193	0.9
383.24243	14.0
384.11530	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.9
55.01876	12.4
55.05515	25.7
57.03435	14.6
57.07069	3.9
59.04999	3.8
65.03938	6.0
66.82148	3.3
67.05505	100.0
69.03433	6.5
69.07059	21.4
71.04997	5.5
76.57597	3.3
79.05489	35.9
81.03405	8.9
81.07058	55.6
83.04982	11.7
83.08608	17.0
85.02911	3.7
85.06557	4.7
87.87894	2.7
91.05481	35.1
93.07043	36.8
95.04981	17.6
95.08608	27.0
96.80470	3.0
97.02894	3.8
97.06527	9.5
97.10188	9.9
99.08100	3.1
105.07041	24.5
107.04978	9.6
107.08598	27.5
109.06519	7.8
109.10157	78.0
111.04467	4.2
111.08094	9.4
115.05443	3.7
117.07029	10.2
119.08582	22.3
121.06500	6.4
121.10131	14.2
123.08050	10.4
123.11742	3.5
125.09635	9.4
127.23015	2.9
128.06255	4.5
129.06995	6.3
129.92563	3.5
131.08566	19.4
132.91893	2.8
133.06488	9.4
133.10126	27.6
135.08052	10.9
135.11699	7.5
137.06053	3.6
137.09610	7.3
139.07509	3.8
142.07793	3.5
143.08585	6.3
145.10115	14.8
147.08052	10.4
147.11679	6.3
149.09618	12.7
151.11198	9.7
153.09189	4.1
155.08566	3.8
155.10625	3.1
157.10139	9.8
159.08066	3.9
159.11649	4.9
161.09634	10.2
161.13188	3.9
163.11241	4.2
164.20543	3.3
165.09081	4.2
169.79852	3.1
171.11673	4.2
173.11794	21.1
173.13121	4.7
175.11166	5.3
177.09149	7.3
189.11246	5.2
193.12291	5.4
200.06441	2.7
223.13252	8.5
227.12817	4.8
244.04875	3.6
245.13811	5.2
245.19057	4.8
253.14357	4.9
271.15353	3.9
273.18466	28.7
287.05386	4.3
291.19525	63.5
297.03983	5.1
347.22333	3.7
365.23175	43.4
383.10602	15.4
383.24393	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
54.28975	0.8
55.01877	7.8
55.05511	30.2
56.05861	1.3
56.96561	2.6
57.03437	10.4
57.07084	2.0
58.31445	1.2
59.04989	1.2
65.03943	2.4
67.05505	42.8
67.13909	0.9
68.38110	0.9
69.03421	6.6
69.07069	15.7
69.32676	11.3
71.05001	3.7
72.08143	1.0
73.02946	1.1
77.52483	1.1
79.05495	28.4
81.03420	9.4
81.07058	42.5
82.06577	2.5
82.07356	1.3
83.04975	13.7
83.08614	16.7
84.08111	1.1
85.02905	5.3
85.06558	3.7
91.05478	18.7
91.58125	1.5
93.07043	25.9
95.04967	10.7
95.08605	18.5
97.02901	1.8
97.06532	8.9
97.10170	19.5
98.21539	2.3
99.04466	3.1
99.08118	3.3
100.07628	1.6
100.11259	17.2
101.06023	1.2
105.07031	14.7
107.04959	5.8
107.08590	21.1
109.02888	1.4
109.06532	5.6
109.10149	17.0
111.04432	14.9
111.08080	7.1
112.07633	1.7
115.05440	1.4
117.07000	7.6
117.13976	1.0
119.04953	4.0
119.08581	15.2
121.06483	5.7
121.10144	9.5
123.04462	2.0
123.08080	18.8
123.11717	1.6
125.09628	21.4
127.03902	1.2
128.07112	2.5
129.05481	1.3
129.07043	3.9
131.04941	1.2
131.08551	7.3
133.06548	1.9
133.10124	8.2
135.08073	4.8
135.11691	6.7
137.05981	2.4
137.09608	6.0
139.07526	1.1
139.11174	1.8
140.07051	1.1
141.07060	1.0
141.11525	3.1
143.08568	3.3
143.10661	1.5
145.06430	1.2
145.10098	8.8
147.04378	2.6
147.08104	3.5
147.11705	6.2
149.09642	3.4
149.13286	7.5
151.03929	1.4
151.11235	2.1
153.01825	4.9
153.09145	2.8
153.12762	3.9
155.08589	1.6
157.10167	4.1
159.08104	1.6
159.11748	3.8
161.06102	1.3
161.09668	3.8
161.13177	2.0
163.11166	9.4
165.09131	2.4
167.14282	1.3
171.07976	1.4
171.10229	1.7
171.11665	2.2
173.09543	2.5
173.11856	1.9
173.13321	2.3
175.03979	4.7
175.11194	3.3
177.05472	1.4
181.12256	6.2
182.15448	7.4
184.17003	9.4
185.13191	1.1
185.17513	1.0
187.07666	1.2
187.11246	1.5
189.11212	22.8
191.10718	4.4
192.13846	1.2
193.10559	1.0
193.12231	5.7
199.15053	1.1
199.18102	2.7
205.12300	1.1
207.06493	6.1
209.16553	3.2
210.14865	10.9
211.15065	1.3
212.32199	1.0
217.05022	3.1
218.66277	2.5
221.04395	1.3
221.08113	1.6
221.15511	1.6
223.13335	1.9
225.16286	1.1
227.12746	8.2
227.17860	2.0
229.05089	1.0
245.19061	1.8
247.07553	1.4
249.14973	2.5
255.17401	2.1
257.04477	2.0
260.69388	1.8
261.09311	1.3
263.07208	1.2
265.05115	1.3
266.21237	2.7
267.06842	1.7
273.18497	11.0
275.16055	1.2
277.32849	1.1
282.04999	1.3
285.07825	1.5
287.05573	3.7
291.10492	1.5
291.19540	23.8
293.08353	1.2
294.20895	3.4
295.21136	1.3
307.09677	1.2
309.20752	2.1
310.24329	7.7
310.74689	2.9
311.05563	4.9
323.08994	1.4
326.14758	1.0
326.28128	2.5
337.10733	2.7
339.08490	2.3
343.30743	1.6
351.12384	2.0
353.10126	1.4
365.23532	5.3
368.12668	1.3
373.77979	1.1
383.10989	22.2
383.15851	8.5
383.27832	100.0
384.11398	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08471	0.7
55.01860	2.1
55.05502	3.7
56.05013	1.1
56.96555	2.9
57.03419	2.5
61.02920	0.9
67.05508	4.2
67.05810	0.8
68.05034	1.5
69.03414	3.4
69.07056	3.8
70.06583	1.8
71.04993	2.0
71.60878	0.9
71.73402	0.8
72.08152	1.8
73.02898	1.3
73.47253	0.8
79.05489	7.2
79.84960	0.7
80.05018	4.6
81.03406	2.2
81.07056	10.3
82.06593	0.9
83.08604	1.6
84.08147	1.2
85.02886	3.4
86.06069	1.8
86.09706	0.9
86.59046	1.0
87.04495	1.0
88.04002	1.6
91.05482	5.6
93.07027	6.3
94.06535	0.8
95.04948	2.2
95.08614	5.5
96.08147	1.3
97.02869	1.3
97.06547	2.7
97.10163	1.9
98.06052	8.3
98.97571	1.7
99.04418	1.0
100.11274	2.1
101.45248	0.8
102.05589	0.8
103.05419	1.2
105.07050	4.2
106.97131	0.8
107.04945	2.1
107.08588	6.0
108.08128	3.2
109.06506	1.7
109.10143	3.0
110.07153	0.8
110.09674	3.6
111.08090	1.2
114.05537	6.7
115.05460	2.0
116.07063	2.2
116.98585	1.4
117.05814	1.1
117.07023	2.6
118.05699	1.6
118.06539	31.9
119.04945	2.3
119.08582	3.0
121.10153	3.4
122.06021	0.9
122.09650	1.3
123.11699	1.2
125.09618	1.1
127.03928	1.3
128.98604	1.2
129.06976	0.9
130.06522	18.4
131.04922	1.4
131.08607	1.7
133.10126	2.8
134.99667	0.9
135.11713	4.7
137.05975	2.3
138.05489	3.2
142.06517	3.7
143.05649	2.6
143.07315	3.1
143.08469	0.9
144.08080	21.7
145.02875	1.8
145.10071	1.9
146.06007	85.9
146.99614	0.9
147.04408	2.7
147.08051	1.2
147.11691	1.9
149.01228	2.2
150.12769	3.0
152.14340	82.8
153.01787	1.1
156.08141	1.7
157.10133	1.3
159.11656	1.1
161.06032	1.2
161.09564	1.1
161.13269	1.7
163.11179	1.1
164.14301	1.4
165.05505	1.0
165.07941	1.6
167.07065	2.7
170.06000	6.3
175.03891	3.0
175.07536	1.0
177.05489	3.9
178.15926	2.0
179.07043	1.2
179.10620	1.0
184.11205	1.3
188.07062	65.7
189.07289	0.9
191.07059	1.1
196.16969	41.6
197.17268	1.2
201.09058	1.0
203.06987	1.1
207.06563	3.7
207.59702	0.9
208.13333	3.9
210.14896	12.9
221.04420	4.7
221.08078	1.3
221.10696	1.9
229.08577	1.1
231.08034	1.3
247.07584	2.5
248.08339	2.0
254.17497	19.6
263.07004	0.9
263.10599	1.2
265.08731	0.9
267.11365	6.1
268.78000	0.8
277.09012	0.9
284.12799	1.2
290.09128	1.9
291.10162	2.3
292.07455	1.4
293.08105	2.0
293.13174	1.8
302.13705	4.4
302.63892	1.0
307.09500	1.3
322.08405	2.1
323.12875	1.6
337.10825	1.6
339.20682	31.3
340.20898	1.3
351.12427	1.9
352.12872	1.4
353.10074	1.7
368.12476	1.9
383.11261	5.6
383.15158	8.7
383.23288	100.0
384.11414	1.4
384.23450	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	383.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01871	1.3
55.05510	4.7
56.05038	0.9
56.96565	3.3
57.03441	2.2
57.07079	1.4
59.05011	0.9
61.02935	1.4
67.05518	6.5
68.05031	1.5
69.03427	3.0
69.07074	4.7
69.41036	0.7
69.41786	1.6
69.42194	5.5
70.06588	1.6
71.04980	1.3
72.08140	1.1
73.02909	0.8
79.05492	5.9
80.05030	5.7
81.03418	3.0
81.07059	10.4
82.06596	1.8
83.04986	1.3
83.08617	1.6
85.02905	1.8
85.06565	1.2
86.06086	1.2
88.04005	1.1
91.03970	0.9
91.05492	8.9
93.07043	7.9
94.06596	0.9
95.04979	3.7
95.08620	6.3
96.08137	2.2
97.02892	2.1
97.06543	2.3
97.10185	1.6
97.12897	0.7
98.06064	8.0
98.21485	1.4
98.97565	1.0
99.04447	1.0
99.08122	1.3
105.07027	6.2
106.07401	0.7
107.04977	2.2
107.08600	6.4
108.08117	2.5
109.02889	1.4
109.06503	2.6
109.10150	4.7
110.09670	2.7
111.04459	0.9
111.08125	1.4
112.37229	0.8
114.05539	5.1
115.05492	2.2
116.07100	1.6
117.03407	1.1
117.05743	0.8
117.07025	3.5
118.05697	1.7
118.06551	35.2
119.04955	3.2
119.08593	3.9
121.06498	0.9
121.10152	4.6
121.10944	0.9
122.09683	2.0
123.04427	1.3
123.08070	1.8
123.10441	1.3
123.11709	1.8
124.11188	1.5
125.09635	1.2
125.17950	0.9
127.03925	1.1
128.06215	0.8
129.07014	1.8
130.06535	15.1
131.08566	0.8
132.08081	1.2
133.06519	0.8
133.10126	4.1
133.41183	0.7
135.11696	4.0
137.06003	2.2
138.05521	2.3
142.06535	2.5
143.07336	2.9
143.08554	1.4
144.04459	1.1
144.08098	22.2
145.02867	1.0
145.06561	1.1
145.10136	2.5
146.06017	95.1
147.04434	3.7
147.06360	1.3
147.08057	1.1
147.11737	1.8
149.13290	1.1
150.12755	4.2
151.03912	1.6
151.07504	0.9
152.14349	85.9
153.05531	1.9
153.14761	0.8
157.10135	2.7
159.08064	1.1
159.11691	1.3
160.07550	1.1
161.05965	1.5
161.09642	0.8
161.13336	1.1
162.03130	0.8
163.03952	1.1
164.14369	1.5
165.05403	0.9
165.07870	2.2
167.07079	1.6
169.07678	1.0
169.10092	1.0
170.06027	8.0
172.14059	0.9
173.13283	1.1
175.03928	4.7
175.07487	1.0
175.11205	1.3
177.00699	0.9
177.05489	3.0
177.12854	0.9
178.15933	3.0
181.06537	0.8
184.11250	2.4
188.07077	69.2
189.05586	1.1
189.07373	1.4
191.07045	0.9
193.05002	1.1
196.16977	46.5
207.06528	6.2
208.13283	3.6
210.14899	9.4
215.08275	1.4
219.08257	1.5
221.04478	2.2
221.08118	3.2
222.18768	0.9
231.08145	1.0
241.07507	0.9
241.09793	0.9
242.45981	0.9
247.07588	1.5
248.08339	1.4
254.17529	12.4
257.04535	0.9
259.08420	2.4
260.08893	1.2
263.10663	1.8
264.07889	0.8
267.08878	1.4
267.11374	2.0
276.07877	1.5
277.08472	1.3
279.10397	0.8
285.10153	1.7
291.06586	1.2
291.10175	2.0
291.19522	1.1
292.07224	1.2
293.08316	1.3
294.08826	1.0
305.08099	1.1
307.09698	1.2
313.06918	1.7
323.12704	1.1
337.10864	1.9
339.08759	0.9
339.20703	42.2
340.21094	1.1
351.08673	1.2
351.14276	1.5
353.10278	0.9
365.14008	1.1
383.10883	8.9
383.15103	8.4
383.23297	100.0
383.27774	24.0
384.11392	1.1
384.23575	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32621	0.8
55.01858	1.0
55.05514	6.4
56.96558	2.6
57.03429	1.8
57.07074	1.9
57.87915	0.8
61.02905	1.3
65.03957	1.0
67.05507	7.5
69.03414	2.5
69.07071	4.8
70.06578	2.1
70.71375	0.8
71.05014	0.9
74.09705	1.0
79.05486	5.8
80.05019	1.6
81.03405	1.6
81.07057	9.6
82.06581	2.4
83.04984	2.3
83.08624	2.7
84.08144	1.9
84.90797	0.9
85.02889	1.7
86.06065	1.5
86.09670	1.0
91.05480	7.5
93.07050	10.6
94.06574	1.4
95.04976	2.5
95.08609	6.3
96.08120	1.6
97.02885	2.1
97.06518	1.4
98.97571	1.4
99.04494	1.2
100.11260	5.0
101.11665	0.9
102.12852	0.8
103.05484	1.2
105.07066	4.8
107.04984	1.2
107.08600	5.0
108.08135	3.5
109.06506	2.0
109.10166	4.9
110.09667	3.5
111.04443	1.5
111.08127	1.2
114.05524	3.4
115.05471	1.8
116.07105	1.9
117.05750	0.9
117.07020	3.0
118.06541	35.5
119.04918	2.8
119.08586	3.4
121.06540	1.2
121.10133	3.2
122.09676	2.1
123.04483	1.8
123.08060	1.3
123.10425	1.8
123.11700	1.8
124.11227	1.4
125.09673	1.6
129.06943	1.2
130.06516	8.5
131.04912	1.0
131.08557	2.7
132.08034	1.3
133.10159	4.4
135.11668	3.6
137.05994	1.9
138.05545	1.3
142.06511	3.1
143.07272	3.2
144.04489	0.8
144.08081	21.9
145.06479	1.3
145.10123	2.5
146.06010	91.4
147.04398	3.7
147.11684	1.6
149.09712	1.6
150.12784	3.8
151.03909	1.2
152.14343	100.0
153.01878	1.1
153.14746	1.2
154.15910	1.5
156.13828	3.2
157.10075	1.2
157.14151	1.8
159.11670	1.4
160.07599	1.2
161.09674	1.1
161.13246	1.2
164.14351	1.6
165.05548	1.0
165.07921	2.2
167.07071	1.9
169.07663	1.1
170.06010	7.4
171.11464	0.9
175.03935	3.4
175.11157	1.9
177.05518	1.9
178.15872	1.5
182.15396	2.5
183.15822	2.2
184.11241	2.6
184.13321	2.7
185.13609	3.0
188.07066	68.5
196.16966	60.5
197.17171	1.0
203.14319	1.0
207.06525	4.0
208.13336	4.6
210.14900	13.1
211.13330	1.0
211.15256	1.3
215.08287	1.3
217.07396	1.1
219.07976	1.7
221.04445	1.1
221.08250	1.8
225.05521	1.2
247.07478	1.4
248.08229	1.3
252.15921	1.4
254.17476	10.7
255.06538	2.5
257.04501	1.0
260.08405	1.0
261.09207	1.3
265.08502	1.5
267.09045	1.1
276.07825	1.1
283.06140	4.7
285.10226	1.2
291.10117	1.9
294.08768	0.9
307.09384	1.2
311.05469	4.4
319.09659	1.7
323.12814	1.6
325.07053	1.7
337.10776	2.5
337.22247	1.1
339.08679	1.2
339.20676	52.6
340.20956	2.2
341.10022	1.3
351.08588	1.2
351.12341	3.0
365.13861	1.3
368.12552	1.3
383.10861	11.8
383.15128	7.9
383.23239	96.8
383.27734	34.6
384.11246	1.8
384.23666	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1488
Annotation	Gancaonol A
Peak:m/z	Relative Intensity
51.09700	0.3
53.03939	0.7
55.05504	1.2
55.43813	0.3
57.07076	0.4
59.04996	0.4
62.64711	0.2
67.05514	3.6
69.03435	0.5
69.07056	1.1
69.26324	1.1
69.26746	2.2
71.04989	0.6
79.05477	1.1
80.26415	0.3
81.03428	1.4
81.07052	2.0
83.04967	0.5
83.08622	0.4
85.02882	0.3
85.06532	0.5
91.05470	1.8
93.07043	3.4
95.04964	0.7
95.08638	1.6
97.06533	0.3
97.77821	0.3
105.03398	0.4
105.07045	3.0
107.08580	1.9
109.06559	0.6
109.10154	4.7
111.08130	0.4
117.03362	0.9
117.07024	0.5
119.08565	1.9
121.02859	0.3
121.06517	0.4
121.10139	1.7
123.08051	0.8
128.06168	0.3
129.07013	0.5
129.25757	0.2
131.08569	1.1
133.02875	0.4
133.06516	0.3
133.10109	1.2
134.03644	3.5
135.00562	0.3
135.08118	0.4
135.11699	0.3
137.09579	0.6
142.07779	0.6
143.08571	0.9
144.09297	0.3
145.10135	1.4
147.08011	0.7
147.11606	0.5
148.05135	0.3
149.02354	2.0
149.05960	0.5
149.09622	0.9
151.07559	1.3
156.09386	0.5
157.10115	1.5
159.11711	0.8
161.09593	1.3
161.13258	0.3
163.11226	0.3
165.09114	1.1
166.02670	0.4
169.10153	0.3
171.11652	0.5
173.11765	0.5
173.13193	0.3
175.11174	0.5
175.14828	0.3
179.03387	0.4
181.06517	0.4
185.13278	0.7
195.11794	0.4
197.06046	0.3
198.06725	0.8
201.12944	0.3
203.14317	0.7
207.11806	0.3
207.13779	0.6
209.05943	0.6
210.06732	0.3
212.05179	0.3
215.14357	0.4
221.15344	2.6
225.05534	0.8
226.06177	1.8
227.07027	0.7
234.16226	0.4
237.05431	1.9
241.04958	0.4
253.04915	0.7
254.05731	1.1
255.06496	1.0
265.05014	1.2
269.04453	0.3
269.08002	0.3
281.04462	1.1
282.05231	15.2
283.05789	0.8
284.06799	1.1
285.07443	0.4
297.07562	17.8
298.07825	0.5
299.20438	0.3
311.05487	0.6
312.06284	16.1
313.06738	0.4
327.08627	100.0
328.09018	2.7
383.10245	0.5
383.14890	7.9
383.20334	4.2
383.25620	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.6
57.03434	2.1
57.18814	1.5
61.02933	4.2
61.46407	1.4
63.60491	1.4
69.03431	12.7
70.89407	2.5
70.89746	3.0
73.02926	1.4
74.02435	2.6
81.03426	6.3
82.02943	2.4
85.02431	2.5
85.02908	29.1
92.68180	1.5
94.06570	3.5
97.02876	9.2
99.04523	2.0
106.06544	2.2
106.46170	1.6
109.02912	3.2
115.05462	2.2
118.06558	6.7
119.57449	1.6
120.08120	2.3
127.03931	5.7
130.06528	75.5
132.04454	20.5
132.08131	3.9
143.07280	1.8
144.06898	2.7
144.08080	29.0
145.07596	21.2
146.06030	13.1
148.07602	6.1
154.06508	5.0
156.08105	5.0
157.07616	65.9
158.06027	52.7
159.09206	9.1
160.07635	3.4
169.07632	6.5
170.06044	3.2
170.08347	2.7
171.06734	2.2
171.09189	8.9
172.07561	15.3
174.05542	7.6
175.07149	3.2
175.08675	60.1
176.06985	2.4
176.09193	1.7
181.07600	3.8
182.06093	1.9
182.08371	2.8
183.09169	13.6
184.06195	1.9
184.07646	1.8
185.07114	14.2
186.05603	3.9
186.07770	2.3
187.08698	3.5
188.06972	2.5
197.07085	2.0
199.08685	11.8
200.07057	17.6
203.08153	100.0
204.06581	5.2
204.08450	2.3
207.09166	2.0
208.09972	2.0
209.07050	8.2
215.08174	2.9
216.08984	4.4
217.09712	35.7
221.09224	51.6
227.08128	15.5
228.06606	4.7
231.07727	7.3
245.09213	26.9
246.07658	2.1
253.09723	1.9
257.09076	1.8
263.10287	44.5
269.09103	2.4
287.10330	2.7
299.10321	6.6
319.13089	1.6
321.25076	1.6
329.11432	5.0
347.12402	9.5
348.10736	12.5
365.13449	34.2
383.14502	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	383.1123
Annotation	Denthyrsin
Peak:m/z	Relative Intensity
50.66806	0.2
55.05499	0.4
59.04999	0.9
61.18411	0.2
67.05502	2.5
69.07072	0.5
71.04985	0.3
75.16433	0.3
76.05231	0.3
81.07052	0.7
91.05485	0.6
93.07032	0.6
95.04965	0.3
95.08605	0.7
103.95061	0.3
105.07036	0.7
107.08610	0.5
109.10155	2.8
119.08601	0.4
123.04439	0.7
133.10103	0.4
149.05991	0.4
157.02916	0.3
165.05489	0.3
165.08943	0.2
173.11754	0.5
175.03908	0.6
177.01881	1.1
191.03375	0.5
194.02087	0.5
209.06123	0.4
217.04967	0.3
219.02864	4.6
227.06868	0.4
235.05907	1.3
237.03745	0.4
237.05803	0.4
252.06308	0.5
255.06514	0.9
257.04544	0.4
265.04965	2.5
267.09875	0.3
269.08047	1.2
279.06439	0.6
280.07266	0.4
281.07990	0.3
283.05807	0.5
287.05673	0.5
293.04517	1.9
297.07590	2.5
307.05951	0.6
308.06735	2.8
309.07455	0.6
310.04703	2.0
311.05493	1.5
311.08835	0.4
312.09943	0.5
323.09171	4.1
325.07065	16.2
326.07440	0.4
335.05545	1.3
336.06250	4.6
337.07175	0.9
340.09338	0.5
350.07742	0.6
351.08606	5.3
353.06558	17.2
354.07129	0.4
355.11566	0.4
367.07938	0.7
368.08875	8.8
383.11246	100.0
384.11639	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	383.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
54.70095	2.1
55.01874	5.0
56.96573	5.9
61.02919	8.5
62.73454	2.0
65.03929	2.5
68.99791	13.0
69.03431	7.2
69.94472	12.1
70.06587	4.8
72.08171	3.2
79.05513	4.7
81.03402	2.9
83.04991	2.8
84.08150	4.0
85.02886	7.1
86.09708	3.1
87.00834	5.4
91.05485	10.5
93.07038	3.4
95.01374	2.9
95.04973	4.2
97.02882	6.3
98.97556	3.3
103.05475	7.5
105.07021	5.6
107.04977	6.8
109.02859	4.7
111.04444	5.2
115.03930	2.8
115.05441	3.5
117.07012	5.9
119.04948	13.2
121.02881	7.0
121.06474	11.6
123.04429	7.9
125.06061	2.0
129.01822	6.7
131.04948	7.2
133.02902	2.9
133.06480	3.4
134.99730	3.7
135.04440	8.5
136.06210	3.4
137.05956	4.3
139.03905	4.6
144.05716	4.8
145.02859	4.7
145.06543	11.3
146.03613	7.2
147.02936	5.0
147.04399	32.2
148.05165	2.6
149.01265	2.3
149.02324	5.4
149.05981	8.0
151.03860	3.5
153.05493	2.6
154.02631	9.0
158.46840	2.0
159.04445	5.2
160.08698	35.6
161.05959	4.7
163.03902	19.0
164.04634	8.1
165.05492	2.0
167.07057	4.6
169.05023	15.9
171.04417	2.6
172.05205	7.4
173.05965	11.0
174.03137	4.6
175.03958	8.9
177.01883	3.9
177.05487	22.0
179.03448	4.9
179.07053	2.5
181.04944	6.7
183.06610	2.3
186.06622	4.7
187.03931	4.4
189.05400	4.2
190.06310	5.6
191.03596	2.3
191.07062	4.6
192.04195	8.7
193.04955	9.9
195.06465	2.5
200.04637	3.1
201.05525	11.0
203.03439	5.2
203.09311	17.1
205.04994	9.4
207.02856	5.0
207.06523	37.6
209.04414	5.2
209.08093	5.9
215.03462	5.2
218.05724	7.7
219.06497	8.7
221.04524	4.0
222.05188	10.1
228.04210	2.3
229.04933	9.1
231.02873	3.5
233.08086	29.6
235.05997	10.5
237.07545	21.1
246.05258	3.2
247.05960	8.3
251.09233	4.0
261.07547	41.7
264.06357	6.8
279.08633	100.0
297.09894	3.1
305.06509	2.7
310.05890	2.3
323.06061	7.1
383.13214	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.3
68.70013	0.2
70.82240	0.4
70.82555	0.2
71.95265	1.3
98.97582	48.7
116.98621	61.1
117.98955	0.3
134.99658	52.6
135.99969	0.3
136.68552	0.2
140.00174	0.9
140.22937	0.2
153.00711	11.5
158.01268	1.1
174.97766	0.2
176.02280	0.3
177.01062	0.5
181.97372	0.3
188.98671	0.3
192.98683	0.6
198.97728	0.3
207.01392	0.2
216.98634	0.5
218.03534	0.2
219.01933	0.9
220.01958	0.4
234.99861	2.8
235.99976	0.6
240.98619	4.6
244.24486	0.2
250.97888	0.4
258.99771	44.2
259.99908	1.9
261.00095	0.3
261.03052	1.1
262.03177	0.2
274.97510	0.4
275.97925	0.3
277.00821	100.0
278.01028	4.8
279.01126	0.4
282.01285	1.2
282.99918	2.1
284.00067	0.7
292.98682	0.3
295.01923	1.9
300.02365	2.5
300.97574	0.4
301.01022	6.8
302.01187	2.7
303.00888	0.8
316.98831	0.8
317.98831	0.8
319.02057	0.5
324.02353	0.3
341.01883	0.3
359.01584	1.2
359.99814	0.7
377.02713	0.7
383.00031	0.6
400.97067	0.3
401.01007	3.9
402.00998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	0.8
57.03413	1.4
61.02900	1.0
67.05478	0.6
69.03426	3.0
70.06555	0.5
70.72746	1.0
70.73138	0.6
72.08129	0.5
73.02922	3.2
79.05478	0.4
81.03385	1.2
81.07057	0.8
82.26447	0.4
84.08131	0.9
85.02501	0.4
85.02905	3.7
86.09729	0.5
87.04472	5.0
87.60918	0.4
91.05463	1.1
93.07001	1.0
97.02869	1.4
99.04444	2.7
103.03928	0.5
105.06987	0.4
109.02838	0.7
118.06509	3.2
120.08078	0.5
124.20211	0.4
127.03921	0.8
129.05458	0.5
130.06566	0.4
132.08081	0.9
133.08949	0.3
136.06177	0.5
136.07547	0.5
143.05603	1.4
146.09613	1.3
160.11226	0.4
162.09169	2.4
164.07037	0.4
176.10704	1.6
176.14346	21.1
177.05391	0.4
177.11482	0.6
190.12233	1.0
202.14323	0.7
202.15956	0.5
207.06505	0.9
207.21414	0.4
220.16963	53.8
221.17296	1.5
241.16336	0.5
303.01392	0.5
315.97464	0.4
320.18582	1.2
340.99734	0.5
364.20862	0.5
377.01813	4.4
378.77936	0.4
382.22250	100.0
383.17636	0.6
383.22525	3.9
395.03043	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	0.7
57.79485	0.5
58.46301	0.6
59.81194	0.5
67.05496	1.6
69.03427	0.6
69.07043	0.6
69.46402	5.2
81.07043	1.6
91.05508	0.6
93.07032	1.4
95.04965	0.9
95.08617	1.4
98.20773	1.3
100.73035	0.6
105.07005	1.0
109.10135	0.8
111.21878	0.5
114.74776	0.5
133.10071	1.0
154.91072	0.5
174.71559	0.5
210.50070	0.7
229.07339	0.9
247.08412	0.9
309.16516	1.3
379.24545	100.0
380.24896	2.1
396.66107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41987	2.5
70.98828	5.8
103.83473	2.3
170.54797	2.4
175.38747	2.2
201.01559	2.9
219.02650	4.5
268.87933	2.5
381.07956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39897	0.4
69.52980	3.1
89.15501	0.4
94.62606	0.5
94.93027	0.5
101.48074	0.4
112.89619	1.1
113.11700	0.4
114.89310	0.5
155.23479	0.4
179.92265	0.4
201.01613	4.2
219.02698	3.6
259.67844	0.4
381.07922	100.0
382.08392	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1708
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
56.96560	1.9
57.07079	1.7
59.04988	2.2
60.30725	1.4
67.05507	2.3
69.07069	5.2
70.02952	4.1
70.84668	4.4
72.04526	10.8
73.02911	2.1
84.08093	1.7
85.02907	6.7
85.06547	5.0
86.09710	2.5
87.08115	1.9
89.03912	3.7
90.05556	67.1
95.04953	4.6
98.02426	7.0
100.03960	2.4
103.07591	3.2
113.06030	1.8
116.03441	9.7
119.04921	1.6
123.04450	2.2
124.07604	11.1
127.03913	2.5
135.04413	5.5
136.07513	1.6
142.08623	4.8
145.02846	1.7
147.04442	3.8
149.02391	3.2
151.00261	1.4
162.05486	2.4
163.03929	17.7
177.05641	1.8
184.09685	12.2
202.10742	22.2
220.11803	100.0
224.06635	1.5
237.00739	1.5
383.09491	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	379.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.6
67.05505	3.1
69.03420	0.8
69.07071	0.8
69.98056	3.4
73.02960	0.6
73.75391	0.6
79.05486	1.3
79.05921	0.5
81.03420	0.7
81.07050	1.8
85.02924	0.6
86.77624	0.6
91.05464	1.3
93.07046	1.1
95.08601	1.8
97.06548	0.6
98.20822	1.0
105.07017	0.8
107.08603	1.0
109.10137	1.3
116.80798	0.5
121.10162	0.6
122.24316	0.7
133.10149	1.0
159.11797	0.6
169.10014	0.6
192.13731	0.6
211.14818	0.7
229.07529	1.4
229.14340	0.7
247.08620	0.9
266.80896	0.7
321.98938	0.7
347.34119	0.7
379.24536	100.0
380.24817	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	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05135	0.8
55.05504	1.5
55.26429	0.6
56.96564	2.2
57.03431	0.9
67.05501	1.1
68.97792	0.6
69.03426	1.8
69.31239	0.6
69.31548	8.1
70.06596	5.7
71.04976	0.8
71.95624	0.6
72.08158	6.3
74.11461	0.7
79.05493	0.8
81.07057	0.8
83.04975	2.2
84.08148	2.4
85.02902	2.1
86.09712	2.7
91.05494	3.7
93.07059	1.7
95.04981	2.1
95.08594	1.0
96.04506	1.2
97.02913	1.3
98.97540	1.0
99.00808	0.8
105.06997	0.8
110.09679	1.1
111.02030	0.8
111.04438	1.4
115.66135	0.8
116.98709	0.8
117.07070	1.1
119.04985	1.9
120.04465	1.1
120.08112	1.7
121.02871	1.3
122.06044	2.1
124.07594	1.5
127.03970	0.9
134.06015	0.9
136.07574	1.3
138.05560	0.9
138.09029	0.7
139.03931	1.4
140.07014	1.2
143.05690	2.0
143.08722	1.1
145.02873	1.1
147.04430	2.0
154.08652	0.8
162.09161	3.4
163.03926	0.9
164.03493	0.9
169.09749	0.8
172.06093	2.0
178.05035	2.3
179.07053	1.9
180.10240	2.9
181.04987	4.0
185.04222	53.1
186.04700	1.2
190.04994	1.3
196.06104	1.4
199.03828	0.8
203.03699	1.2
203.05325	1.0
207.06612	4.5
207.18387	0.8
208.09674	11.9
212.08420	2.4
213.08910	1.1
217.04701	14.9
221.05646	2.3
229.05048	0.9
231.01671	1.1
238.07088	1.3
243.03413	1.0
245.04439	4.6
249.13751	0.7
252.03960	1.8
261.04492	2.0
263.95383	0.8
267.11423	1.2
283.10870	0.8
307.06158	0.8
308.07126	1.1
311.09970	0.8
322.08417	1.1
325.11789	1.0
329.11304	1.7
330.09940	0.8
333.13535	0.9
336.06451	1.0
337.10330	0.9
343.12787	5.1
344.11450	0.9
347.12097	1.8
348.10352	0.7
351.08783	1.3
361.14084	4.3
379.10062	100.0
379.14777	5.8
380.10617	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	379.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25019	0.7
63.59934	0.9
65.03971	1.2
69.64751	5.6
70.06583	1.8
81.07082	0.9
91.05492	5.6
92.05856	0.8
93.03441	0.8
93.07082	0.8
95.04961	0.7
95.08668	1.0
98.21536	0.9
103.05511	0.9
109.02917	1.9
119.04981	1.2
121.02927	2.9
121.06598	1.0
135.04507	1.1
140.07108	0.9
140.41519	0.9
142.08733	1.7
147.04384	0.7
161.03008	0.8
161.04799	1.5
179.36531	0.9
181.05090	1.1
187.04089	1.0
188.03365	3.8
201.12923	0.7
205.05084	0.8
206.04605	1.3
211.07472	0.8
227.05299	1.8
243.02977	0.8
258.11334	1.0
271.04456	2.8
283.06046	4.7
293.10208	4.6
295.06250	3.0
307.06265	1.9
308.06961	1.9
309.07669	1.4
311.09927	1.6
317.10318	1.4
322.08463	1.7
323.09393	2.8
329.11365	4.7
333.07883	2.7
335.11011	32.1
347.12531	1.5
351.08722	5.0
361.07083	6.7
361.13791	2.1
379.10126	100.0
380.10434	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.05500	2.6
56.96572	3.4
65.03951	1.5
67.05504	2.6
69.03436	2.5
69.07085	1.6
69.66111	4.2
69.66541	4.7
70.06605	10.2
72.08169	8.7
83.04997	3.1
84.08153	3.1
85.02930	3.8
86.09729	4.8
91.05484	6.1
93.07064	2.6
94.06593	3.6
95.05001	3.1
96.04512	3.5
97.02926	1.6
99.00832	2.0
105.07058	2.3
107.05000	2.1
108.08187	1.4
110.09677	2.1
111.04463	3.1
111.08095	1.4
115.05515	1.5
119.04941	3.2
120.04514	1.6
120.08142	2.8
121.02926	4.0
122.06059	3.8
127.03975	1.8
129.10271	2.4
130.04996	1.6
131.04924	1.5
134.09740	2.8
136.07567	2.7
137.06042	2.5
138.05530	2.9
139.03964	1.7
139.07571	1.1
140.07106	2.6
143.00235	1.5
143.05740	1.6
145.02902	2.1
147.04480	3.0
154.08571	1.8
161.01308	3.2
162.09167	6.1
163.03955	1.9
163.07600	1.4
172.06142	3.2
175.04071	1.4
177.05527	3.5
179.07127	5.4
180.10252	6.6
181.05011	9.4
181.06392	1.5
181.08688	1.2
185.04225	60.5
189.05568	1.5
190.04959	2.2
190.08844	1.2
196.06093	2.4
203.03781	1.6
207.06519	9.4
208.09703	22.0
212.08469	3.5
214.11917	1.5
217.04744	17.0
231.01842	2.2
235.05936	1.8
237.03197	1.1
243.03511	2.6
251.08101	1.3
252.04071	3.7
261.04715	3.8
261.54907	1.3
267.04138	1.2
267.11377	1.9
293.08405	2.2
301.11493	1.9
307.06329	1.9
308.06824	2.6
321.07822	1.9
322.08545	2.0
329.11514	3.8
330.09875	1.8
333.13849	1.7
343.12866	9.5
344.11343	1.7
347.12344	3.4
351.08771	6.5
361.13943	10.4
379.10165	100.0
379.15085	9.4
380.10519	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	377.1453
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03945	2.3
55.01865	0.7
57.03437	8.3
57.03709	0.9
59.04974	0.6
60.65115	0.4
61.02932	4.2
61.85624	0.4
69.03429	13.6
70.06562	0.7
70.43096	1.6
71.01345	2.4
71.04987	3.2
73.02930	2.1
75.04488	2.8
81.03409	3.6
91.05505	0.5
98.20795	0.4
99.04453	4.4
117.05465	1.5
123.04385	0.5
128.27893	0.4
130.06566	0.4
137.05986	0.7
139.03893	0.6
140.88643	0.4
145.07608	2.0
151.03857	0.6
157.06351	0.7
157.07593	0.5
159.09155	0.9
170.07184	1.5
172.08698	32.2
174.10274	0.8
184.08769	0.5
186.10315	0.5
190.09750	2.1
197.08115	0.6
198.06616	5.9
200.08231	5.2
214.09776	0.9
216.07690	18.4
218.09233	1.2
243.08777	72.3
244.07106	1.2
244.09285	0.9
252.11443	0.4
359.13477	2.9
377.14551	100.0
378.14807	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2456
Annotation	Tuberostemonine
Peak:m/z	Relative Intensity
64.59955	0.3
67.05491	1.0
69.03419	0.5
69.07056	0.6
70.06573	0.4
71.60377	0.5
79.05489	1.3
81.03371	0.5
81.07031	0.9
83.04948	0.4
85.02898	1.0
91.05484	0.7
93.06978	0.4
95.04968	0.4
95.08572	0.5
97.02864	0.7
101.29946	0.4
105.07033	1.0
107.08608	0.4
109.02866	0.4
109.06541	0.6
119.08582	0.5
121.06474	0.4
121.10144	0.5
123.11722	0.4
125.27204	0.4
164.96890	0.4
207.06570	0.5
211.54134	0.3
262.18015	0.4
283.32907	0.4
288.19443	1.0
290.17267	10.7
376.24573	100.0
377.20203	0.7
377.24899	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56309	0.9
52.27368	1.1
69.88154	2.6
69.88571	3.9
70.22390	1.1
73.26672	1.0
77.06642	0.9
89.03914	3.2
98.21454	1.1
98.97602	1.2
100.48666	1.0
104.45372	0.9
107.04945	1.2
116.98603	1.2
117.03368	3.8
124.98156	1.1
135.04404	8.9
145.02882	6.4
147.91640	1.1
151.25464	1.0
161.51971	1.1
163.03908	38.9
164.04260	2.1
179.03191	1.6
185.02126	20.9
194.62354	1.0
197.04231	10.4
207.05144	1.6
212.21034	1.1
215.05251	42.0
221.02985	2.0
233.60521	1.0
298.50754	1.1
359.07364	11.3
377.08469	100.0
377.13150	10.0
378.08688	2.2
403.57297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03937	6.4
54.58336	1.4
55.01869	9.7
55.05509	19.7
56.63123	1.6
56.96576	1.5
57.03440	11.2
57.07057	2.5
59.04991	4.2
61.02921	11.6
67.05506	13.2
69.03428	44.1
69.07066	45.5
71.04990	8.2
71.60641	2.7
73.02908	7.0
76.68614	1.6
79.05516	8.3
81.03422	19.2
81.07053	30.0
81.07526	2.3
83.04977	11.7
83.08611	9.9
84.08118	1.5
85.02905	86.9
85.06542	25.9
86.09698	1.7
87.04452	6.5
91.03958	4.3
91.05467	6.3
93.07043	16.6
95.04966	3.7
95.08609	47.5
97.02897	29.2
97.06532	6.9
97.10188	12.1
99.04441	8.0
99.08089	26.2
103.03937	1.8
105.07026	6.0
107.04965	3.7
107.08592	28.1
109.02876	13.8
109.06520	3.7
109.10150	19.5
111.04478	3.5
111.08076	4.1
111.11700	7.3
113.09642	7.2
119.04993	1.7
119.08560	2.3
121.06485	2.5
121.10142	38.5
123.04423	2.7
123.08046	2.8
123.11691	9.4
125.09649	7.1
125.33102	1.7
127.03912	23.4
127.11174	3.6
128.06227	1.6
131.04915	3.7
131.06816	1.9
133.10066	2.7
135.11685	19.3
137.05974	7.0
137.09613	1.9
137.13258	23.8
138.05554	1.9
139.11229	10.9
145.04951	12.2
149.13251	4.8
151.03911	2.0
151.14835	5.0
153.12712	15.7
161.05972	2.9
167.07048	5.9
175.07576	2.1
177.16383	100.0
195.17459	44.0
205.08633	3.9
207.06621	1.8
211.07518	1.8
213.18494	42.9
228.58900	1.6
235.07709	1.8
269.11746	2.3
285.11325	1.6
313.10822	1.9
315.12457	4.9
357.13379	2.9
375.14648	12.9
375.18909	3.3
375.23438	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1648
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
53.03933	0.9
55.01866	2.0
55.05514	1.1
56.05029	0.9
56.96560	1.7
57.03436	2.7
57.28426	0.8
57.65442	0.7
61.02908	1.7
69.03427	5.9
69.07068	0.9
70.06592	4.1
71.00330	1.7
71.05003	1.2
72.08145	3.0
73.02896	1.0
74.06066	1.0
79.05492	3.1
81.03415	3.5
81.07070	1.6
83.04990	2.1
84.04491	2.2
84.08138	3.1
85.02900	14.9
86.09703	11.6
87.04440	0.7
87.10043	2.0
88.03984	1.2
89.04003	0.8
91.05479	10.7
93.07044	5.4
95.04958	2.6
97.02889	3.2
97.06540	1.5
98.97558	1.1
99.04443	1.0
105.07027	9.1
107.04978	1.9
107.08587	17.2
109.02876	2.5
109.06511	1.3
110.07196	1.2
111.04463	1.8
112.07565	1.0
113.02712	0.8
116.07063	0.9
116.98637	1.2
117.03333	1.2
117.07048	1.3
119.04942	1.6
119.08583	26.6
121.06503	1.6
121.10162	6.7
123.04391	1.8
123.08064	2.4
123.11733	0.9
127.03909	4.4
129.10236	1.1
130.05058	1.8
131.08569	8.9
133.06502	1.6
133.10129	2.1
135.04422	3.1
135.08046	2.7
137.06001	2.1
137.09639	1.2
139.07526	1.4
145.02861	2.0
145.05008	1.8
147.04411	1.8
147.08034	7.9
149.06017	1.2
149.09628	9.5
151.03871	1.0
153.05457	2.0
159.08012	1.5
163.02661	1.3
163.03857	6.2
164.04247	2.3
165.09105	10.8
167.07050	1.9
167.10669	4.2
177.05460	1.5
177.09093	9.3
178.05827	1.5
195.06544	1.1
195.10155	12.6
199.18028	1.3
200.13901	1.1
200.18466	1.1
213.11211	100.0
214.11569	1.5
320.05756	0.8
331.13565	1.0
339.19131	1.5
343.09763	0.9
375.12262	5.2
375.16260	2.0
376.10489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.9
56.96558	16.6
58.50346	6.8
64.68241	6.4
67.05512	52.6
69.07068	17.4
69.59164	54.9
71.04992	100.0
79.05492	41.5
81.03424	13.3
81.07054	63.4
83.05002	8.5
83.08609	11.3
85.06548	11.3
91.05508	17.6
93.07040	42.7
94.07371	7.6
95.08608	32.6
97.02940	7.2
97.06527	11.5
97.10175	16.0
98.21508	9.1
105.07050	30.3
107.08596	39.5
109.06509	8.8
109.10194	24.5
113.79785	6.1
116.49393	7.2
119.08587	19.0
121.10134	12.4
125.09638	14.7
126.15556	7.2
131.08586	13.5
133.10120	17.2
135.11723	26.5
139.57144	7.2
145.10153	14.8
147.11719	10.5
149.13284	24.7
153.09131	7.7
156.86877	7.2
159.11720	23.4
161.13298	6.9
173.11748	22.2
173.13200	7.2
177.12766	42.0
187.13324	17.9
203.12885	11.5
209.15358	12.5
226.68253	7.8
227.54967	6.7
241.18016	50.4
275.20099	22.3
289.21823	8.3
325.37921	6.9
351.14804	25.8
369.15921	22.9
374.26651	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78637	16.0
51.57182	14.3
55.05507	41.9
56.96570	19.8
57.03446	28.9
62.67109	15.4
64.36446	14.3
67.05512	100.0
69.07069	47.4
71.04980	59.2
79.05500	50.4
81.07053	89.1
91.05481	51.8
93.07039	53.6
95.04990	36.2
95.08602	49.1
97.06548	19.9
97.10152	26.3
101.06026	15.2
105.07030	50.2
107.08595	54.7
109.10146	52.0
111.08136	27.0
119.08591	24.1
121.10105	24.2
125.09602	20.6
131.08568	16.1
133.10091	29.4
135.11719	15.4
145.10052	16.7
158.44427	14.9
159.11693	33.3
173.11742	68.3
173.13095	18.5
177.12796	30.7
187.13383	38.3
212.72113	16.8
241.17995	25.2
275.20059	25.3
374.32361	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	374.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42364	0.7
55.05515	1.6
56.96568	27.9
67.05497	1.5
67.91368	0.7
70.32964	0.9
70.33301	3.3
71.95264	2.8
72.96040	1.1
73.98647	0.8
74.97607	3.0
79.05483	2.1
81.07059	2.2
84.96015	1.5
91.05483	1.8
92.98669	1.2
93.07049	2.3
95.04978	0.7
95.08639	1.4
97.33875	0.8
97.96841	0.9
98.97633	0.9
105.07001	1.2
107.08591	1.1
108.13268	0.7
109.10144	1.2
110.97626	3.2
115.97795	1.4
116.98580	1.0
119.08584	1.8
123.01219	1.1
128.98610	8.6
133.10139	0.9
134.99684	0.8
146.99663	19.4
155.03813	1.4
161.01286	3.6
165.00729	5.2
169.05328	1.2
170.01311	0.9
171.03207	1.1
179.02318	1.2
180.68340	0.8
189.04375	2.3
203.05830	1.1
223.70560	0.9
227.09464	1.0
241.11263	0.9
245.10718	0.9
252.10399	1.3
259.12152	2.8
263.09482	4.9
270.11365	1.7
277.11136	1.5
281.10657	2.3
282.11407	1.0
289.09692	1.3
303.12689	1.8
313.14886	1.2
315.16278	37.8
316.16772	1.7
331.15854	3.1
333.17374	100.0
334.17706	5.5
351.18417	43.2
352.18695	1.9
356.18994	16.2
374.19879	5.4
374.25714	1.4
374.72974	0.9
375.17966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71820	0.3
54.98321	0.3
54.99768	0.3
60.21987	0.3
66.78979	0.3
67.05462	0.3
69.03384	0.3
69.58044	1.8
70.06541	0.9
71.49788	0.3
81.03375	0.6
81.07014	0.4
84.04465	0.3
84.08095	0.4
84.70909	0.3
85.02840	1.1
86.09698	1.3
91.05468	1.4
93.07014	0.3
97.06441	0.3
98.98460	2.4
103.05464	0.3
105.06992	0.4
109.02847	0.3
109.10139	0.4
118.06561	4.4
122.05930	0.3
123.04415	0.3
124.07569	0.6
125.00014	8.8
127.03889	0.6
131.08549	0.3
132.08032	1.3
133.08844	0.5
133.10112	0.3
137.05956	0.5
144.07030	0.4
144.08080	7.6
145.08820	0.6
146.09669	1.7
158.09642	2.9
159.10361	1.2
160.11250	0.5
162.09135	2.6
165.05447	0.6
172.11226	3.0
176.10823	1.8
176.14349	18.0
177.11459	0.9
190.12254	1.7
194.11880	0.5
202.15916	45.3
202.70203	0.3
203.16272	0.7
212.12694	0.4
219.33232	0.3
220.16966	100.0
221.17337	1.3
283.66953	0.3
300.13596	10.1
314.12183	1.0
356.16791	0.4
374.17471	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	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46928	0.4
50.50897	0.4
53.03937	0.7
55.01857	1.0
55.05501	0.7
56.96547	1.2
57.03421	1.2
61.02908	1.8
63.02378	0.5
69.03429	5.1
69.07053	0.4
69.55676	3.0
70.06565	1.1
71.04985	1.1
72.08164	0.5
73.02904	0.9
74.02455	0.4
79.05481	0.9
81.03418	3.0
84.04514	0.7
84.08128	1.2
85.02904	15.8
86.09692	1.5
87.04451	0.6
89.03918	5.2
91.03937	0.7
91.05477	1.2
93.07045	0.6
95.04986	0.7
97.02885	4.7
99.04427	1.2
103.05450	0.5
105.07005	0.6
109.02863	1.1
111.04473	0.4
117.03384	14.9
119.04980	0.6
121.06519	0.6
122.06029	0.4
127.03915	3.6
133.10120	0.4
133.28749	0.4
134.03650	1.5
134.99657	0.5
135.04434	2.9
137.05983	1.0
140.91374	0.4
143.05661	2.8
144.04019	1.7
145.02843	42.4
145.04947	3.4
146.03212	0.6
147.04425	1.4
149.05980	8.2
153.05429	1.3
161.01199	0.8
162.03102	1.4
162.07610	0.4
163.03914	8.1
173.05943	0.4
177.05470	100.0
178.05724	2.3
180.08696	1.1
186.05437	0.5
191.07062	0.4
195.06526	42.2
196.06848	1.3
207.06642	0.9
228.76585	0.5
233.08076	0.7
237.00691	1.3
237.02782	0.5
279.08646	1.3
329.06711	0.5
357.05783	1.0
374.14142	0.7
374.18716	2.1
375.07037	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01877	2.1
57.03436	3.8
57.95662	1.4
65.03948	1.5
67.05495	1.6
69.03422	21.9
69.07071	1.4
69.44106	5.0
69.44530	7.4
70.06587	2.0
71.04987	3.7
73.02948	2.4
74.72082	1.1
79.05482	2.3
81.03415	11.8
83.04949	1.8
84.04501	2.4
84.08148	2.9
85.02898	22.5
86.09709	8.8
87.00826	10.8
87.04461	1.5
91.05479	100.0
92.05827	2.4
95.05012	1.6
97.02887	35.8
98.21478	2.1
99.04447	11.0
105.01863	11.8
107.08675	1.3
109.02893	3.1
109.06551	1.5
113.17287	1.2
116.98639	1.5
122.29614	1.3
123.04426	5.7
124.07545	1.5
127.03911	39.7
129.10321	1.5
137.05965	1.9
143.03455	2.0
145.04956	26.0
150.09113	1.4
177.05524	1.6
213.03847	1.6
231.05006	17.3
232.94603	1.6
240.12141	1.6
249.06093	6.9
314.12241	2.6
374.07480	2.9
374.14404	5.9
375.08344	2.8
375.19824	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	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99901	1.5
53.03939	3.8
55.01876	3.3
57.03429	2.8
61.02921	2.7
62.39986	1.2
65.03936	2.8
68.99786	2.2
69.03435	17.2
69.38286	10.9
71.04968	1.7
73.02915	2.3
77.34566	1.4
81.03419	13.7
82.08691	1.3
85.02905	40.5
86.09697	5.8
87.00838	20.5
89.27583	1.7
91.05479	100.0
92.80058	1.3
97.02890	15.5
97.06470	1.4
99.04444	6.8
105.01869	23.8
108.04462	2.8
109.02870	12.6
117.01839	1.5
124.33943	1.4
127.03922	28.2
127.04824	2.7
132.10178	1.3
133.06476	1.3
142.68425	1.2
145.04973	10.1
145.05946	1.4
145.06445	1.2
159.02870	7.1
189.03966	1.8
199.07623	1.7
208.06268	1.5
213.04059	1.9
231.05061	6.5
307.52530	1.6
388.03040	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00757	0.5
55.01874	0.9
56.96572	2.5
57.03448	3.0
64.90440	0.5
69.02366	0.5
69.03432	1.7
70.06584	2.9
70.36142	0.5
71.01363	3.5
71.51018	1.2
73.02910	4.7
75.04498	0.8
78.03447	3.4
79.05491	0.7
80.05025	2.9
81.03412	1.0
83.01347	0.6
84.04508	1.1
84.08158	1.4
85.02905	9.4
85.49188	0.6
86.09710	0.9
87.04462	0.8
88.03982	0.6
89.03910	2.1
95.01323	5.6
95.04951	0.7
96.04498	4.2
97.02894	2.3
97.06527	0.5
98.25890	0.5
98.97626	0.8
99.00834	0.8
99.04495	0.5
101.02396	1.4
102.05522	0.6
103.03951	1.0
106.02912	19.7
106.03639	1.0
106.04987	0.8
107.04954	2.1
112.07606	0.7
113.02363	3.8
116.98617	0.9
117.03371	1.7
117.16767	0.5
119.04901	0.8
123.04428	0.9
124.03951	100.0
125.07099	0.7
126.05529	1.5
129.10281	0.6
131.03421	2.3
134.99669	0.6
135.04433	2.9
139.03908	0.6
140.06984	0.9
141.01822	11.8
145.02879	2.0
147.04402	2.0
154.04984	2.5
159.02924	1.1
161.01230	1.2
163.03905	12.2
164.04178	1.0
180.06538	16.5
187.30928	0.5
189.00682	0.6
198.07611	81.8
203.02081	0.6
212.09143	2.8
219.54910	0.5
237.00890	0.6
249.02632	0.9
255.01727	1.2
267.04117	0.6
273.02753	1.2
356.14670	1.2
374.10654	6.1
374.15338	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	373.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89388	1.8
53.03943	4.0
55.01879	4.1
55.05508	19.4
56.96557	5.6
57.03417	4.9
57.07066	5.4
59.04974	2.4
61.02913	4.8
65.03930	1.9
67.05505	31.6
69.03430	12.1
69.06721	2.8
69.07069	37.2
69.88044	6.0
69.88466	4.0
71.04980	7.7
73.02906	3.3
79.05489	23.2
81.03413	11.5
81.07053	100.0
83.04974	10.7
83.08616	12.9
84.08129	2.3
85.02913	10.1
85.06538	11.7
91.03953	2.1
91.05471	23.5
93.07037	39.5
95.04963	9.6
95.08605	50.5
97.02872	7.6
97.06527	10.7
97.10138	5.5
98.20846	2.4
98.97560	1.8
99.04456	10.6
99.08092	6.0
101.05994	2.2
103.05453	3.8
105.07030	35.4
107.04952	6.7
107.08588	38.4
109.02892	9.2
109.06521	14.9
109.10156	28.7
111.04441	3.0
111.08088	4.3
111.11708	4.2
116.98617	2.2
117.07012	4.2
119.08578	23.4
121.06511	4.1
121.10136	27.9
123.04408	6.0
123.08087	9.2
123.11701	26.1
125.05994	2.8
125.09638	1.9
127.03908	6.3
127.07533	7.1
129.07031	4.0
130.40930	1.7
131.04933	3.6
131.08562	6.4
133.10139	14.2
135.08054	3.2
135.11693	25.0
137.05969	15.9
137.09598	4.3
137.13242	13.7
139.07527	3.3
143.05710	2.5
143.08531	2.8
145.02834	2.4
145.06505	1.9
145.10146	9.0
146.97095	1.6
147.04413	2.6
147.11687	44.3
149.01210	3.2
149.09576	3.3
149.13278	17.9
151.03879	2.6
151.07532	2.3
151.11157	12.7
151.14795	1.9
153.05447	3.6
153.09140	3.2
153.12753	4.8
157.10094	2.9
158.69174	1.8
159.11700	8.7
161.05928	2.3
161.13254	4.0
163.03841	2.2
163.07565	2.3
163.11162	2.7
163.14810	4.1
165.12746	23.8
167.07059	14.1
167.14284	2.1
171.11754	2.8
173.11803	1.9
173.13263	4.5
175.11153	4.4
177.00711	2.4
177.05450	3.0
177.09111	2.5
177.12755	9.4
177.16365	2.2
179.07040	1.9
179.10689	2.5
179.14311	2.2
181.05011	2.1
181.12276	5.1
183.13797	4.3
189.12784	2.3
191.17841	2.1
193.12254	15.1
195.13802	21.9
201.05501	5.3
203.17964	3.9
207.06500	2.4
207.13837	3.3
207.17453	2.0
209.15440	1.8
211.13118	2.7
213.14818	3.4
218.16071	2.1
219.10225	1.8
221.10716	1.7
229.14285	10.5
249.18344	2.0
263.20132	3.2
267.09109	5.5
283.24222	4.8
284.12766	1.9
285.10062	10.6
293.13031	3.7
301.25351	5.0
313.11798	4.1
319.26334	28.3
320.26703	2.1
325.11026	1.7
337.27457	17.4
341.10617	2.2
355.22690	1.8
373.13278	18.3
373.18182	2.2
373.23889	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.85154	4.4
55.05513	8.5
67.05505	29.4
69.03443	15.2
69.07066	17.8
69.94637	10.3
69.95041	22.5
71.05002	10.0
79.05500	11.6
81.07056	20.9
83.04972	12.4
83.08633	8.3
85.02904	16.2
85.06550	7.5
91.05495	14.4
93.07057	17.4
95.05024	6.1
95.08617	39.3
97.02905	6.3
105.07063	9.8
107.04935	4.7
107.08604	20.9
109.06530	10.6
109.10168	86.7
111.08081	5.5
119.08582	35.3
121.10159	15.2
123.04426	10.1
123.08086	12.1
123.11730	11.1
131.04945	5.8
133.10124	15.4
135.11694	100.0
135.12718	6.7
137.05986	15.5
137.09636	19.3
143.05643	13.6
147.11742	11.4
149.13269	7.4
151.11221	8.1
151.14784	11.4
161.06009	5.1
167.07072	17.5
175.14798	37.3
177.05537	10.5
184.73135	4.6
191.07025	5.6
193.08609	7.0
193.15907	59.7
201.05443	7.7
209.11798	5.2
211.16957	53.0
313.11957	12.5
327.12164	4.9
373.13586	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
53.14746	2.3
55.01865	7.1
55.05516	16.3
56.96570	16.1
57.03179	2.7
57.03420	11.6
57.46927	2.1
61.02919	8.2
62.96272	2.3
66.93622	2.4
67.05508	40.4
69.03432	27.6
69.07072	23.1
71.05005	12.0
73.02921	5.6
74.77115	2.3
79.05493	32.1
81.03413	20.4
81.07058	100.0
83.04971	9.0
83.08621	12.0
84.04507	3.1
85.02911	20.8
85.06538	11.1
91.05482	34.9
93.07037	29.4
95.04948	6.3
95.08607	29.4
97.02887	13.2
97.06552	11.9
97.10176	3.5
97.25130	2.2
99.04458	10.0
99.08092	5.7
103.05498	3.8
105.04520	2.7
105.07031	53.2
107.04961	5.5
107.08598	25.7
109.02866	12.2
109.06529	8.6
109.10166	15.5
111.04478	3.8
111.08084	4.1
113.06048	3.5
115.03929	3.1
116.01721	2.4
116.98628	2.3
117.07011	3.4
119.08586	36.7
121.10133	30.3
123.04443	3.2
123.08063	7.8
123.11707	37.5
124.87576	2.7
125.09627	2.9
127.03925	18.9
127.07559	3.9
131.04930	3.4
131.08582	7.8
133.06465	6.2
133.10143	9.6
134.99658	2.9
135.08083	3.8
135.11719	5.0
137.05988	16.3
137.09633	3.5
137.13280	5.0
139.11217	2.7
143.08565	2.8
145.04967	2.7
145.06499	3.8
145.10124	5.9
146.99702	3.3
147.11691	98.7
149.01268	4.3
149.13300	6.2
151.07500	2.9
151.11124	2.5
154.06807	2.5
157.10126	6.8
163.11246	2.7
165.12762	60.5
167.07089	13.7
171.13908	3.0
174.37721	2.4
175.11163	5.1
177.05443	3.4
181.08633	3.2
183.13864	11.1
193.08652	10.3
193.12292	7.8
198.85243	2.2
201.05424	3.3
229.07529	3.2
229.14351	18.2
239.09702	3.9
257.10599	8.3
261.10220	3.3
267.09082	5.4
269.10580	4.6
273.10104	4.9
283.08597	8.8
285.09796	5.7
287.11670	4.6
301.09653	7.3
301.12994	4.1
355.17358	4.0
373.13446	3.7
373.18954	5.4
373.23874	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	373.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.3
55.01864	6.3
55.05509	14.5
56.96561	12.8
57.03431	7.6
57.07066	4.2
61.02922	7.3
67.05170	3.1
67.05502	36.7
69.03427	25.9
69.07064	18.8
71.04996	7.9
71.60172	2.1
71.60643	3.0
71.61314	2.0
72.15171	1.9
73.02924	3.8
76.44228	1.9
79.05489	26.9
81.03407	21.1
81.06577	4.9
81.07056	99.5
83.04994	10.3
83.08606	10.2
85.02908	18.0
85.06546	8.8
85.78058	2.3
91.03983	3.0
91.05482	31.8
93.03368	2.1
93.07037	26.8
95.04971	9.4
95.08601	35.2
97.02879	12.2
97.06525	10.0
97.10181	5.5
98.97597	2.5
99.04481	5.1
99.08104	3.4
105.07029	51.3
107.04958	3.6
107.08594	25.0
109.02892	9.2
109.06516	8.7
109.10143	12.8
111.04485	2.3
111.08076	6.7
111.13125	2.0
115.03950	2.1
116.98608	2.4
117.07012	4.1
119.08581	30.9
121.06516	2.0
121.10146	35.5
123.04470	3.0
123.08075	5.8
123.11711	35.0
125.09584	3.5
127.03894	18.3
127.07539	3.0
129.07039	3.1
131.08569	4.7
133.06491	3.2
133.10114	9.3
135.08104	2.1
135.11684	6.0
137.05968	17.4
137.09578	2.3
137.13275	4.0
139.11185	3.5
141.09128	2.2
143.08571	2.5
145.10127	5.4
147.11688	100.0
149.09589	2.9
149.13284	6.2
157.10201	2.7
161.05963	2.6
161.13280	3.2
163.07527	3.3
163.11139	2.3
165.12752	67.4
167.07097	12.2
171.11736	2.3
173.13252	2.2
175.11179	4.0
177.00752	3.7
183.13853	6.9
187.07603	2.3
187.13365	3.6
193.08603	7.2
193.12212	7.2
229.07594	3.4
229.14268	16.5
239.09605	2.7
243.09044	2.6
247.08536	3.1
255.09131	4.8
257.10516	6.1
265.36066	2.1
267.09088	3.2
269.10754	3.7
273.10040	2.7
275.11673	4.0
283.08588	6.4
285.10062	7.0
287.11642	3.3
301.09622	5.5
301.13058	4.0
305.24634	3.1
313.11511	2.4
322.16174	2.1
337.16589	2.5
350.03830	2.4
355.17554	4.7
355.22464	2.7
373.13608	4.7
373.18637	5.1
373.23798	7.0
373.28360	2.7
373.33469	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.1
55.05512	13.9
57.03438	20.3
59.05007	4.1
67.05511	73.4
67.05877	3.9
69.03435	44.4
71.01350	3.3
71.04993	9.5
71.60569	4.4
73.02924	3.9
77.55385	3.2
79.05497	6.7
81.03421	47.6
81.07068	11.2
83.04996	20.2
83.08649	4.9
85.02911	20.1
87.04481	7.2
91.05479	9.6
93.07042	4.6
95.04949	4.7
95.08615	8.8
97.02909	22.6
97.10180	4.4
99.04468	9.7
105.07084	5.7
109.02892	11.5
109.10161	66.6
109.10845	5.5
111.04445	12.3
111.08083	4.3
117.61135	3.5
119.08594	6.8
121.10168	6.0
125.09632	6.0
127.03916	23.7
129.05467	7.0
132.23868	3.0
145.05046	3.5
155.10680	8.6
161.36232	3.2
173.11758	50.7
189.11308	4.8
209.11752	5.5
229.14474	9.2
249.55243	3.2
299.14886	9.1
340.45343	3.6
355.17325	4.6
373.18588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78150	2.2
53.03931	8.8
55.01868	2.9
55.05511	11.5
57.03432	18.8
57.07063	2.8
59.04991	3.5
64.34877	2.3
67.05502	79.2
69.03426	44.1
69.07082	4.5
71.04983	10.7
73.02909	4.8
79.05500	3.9
81.03413	55.3
81.07050	13.3
81.70892	2.4
83.04974	19.4
83.08604	8.0
85.02893	16.6
87.04458	3.2
90.49463	2.6
91.05461	8.2
93.07059	3.8
95.08582	7.6
97.02893	27.9
97.10161	4.2
99.04451	9.1
107.08572	4.6
109.02871	15.3
109.10155	76.4
111.04433	11.1
111.08066	4.2
125.09653	6.5
127.03931	16.8
129.05447	7.9
137.09590	3.5
145.99060	2.7
155.10680	6.8
173.04443	6.1
173.11736	65.6
173.13181	5.1
189.11263	9.6
207.12981	2.3
209.11655	4.0
229.14394	8.8
229.38263	3.5
244.57063	2.5
252.14368	2.5
299.14969	12.3
307.77606	2.6
367.84244	2.4
373.18570	100.0
379.59756	2.5
379.67651	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62769	0.4
53.03936	0.5
55.01866	0.7
55.05510	0.6
56.05034	0.5
56.96563	1.7
57.03442	0.5
60.04526	0.6
61.02949	0.6
65.03942	0.7
67.05498	1.7
69.03413	2.2
69.07076	0.7
70.06599	2.1
71.05000	0.5
71.59423	0.5
71.59830	0.7
72.08162	2.2
73.02883	0.7
79.05501	1.0
79.80167	0.5
81.03425	1.1
81.07043	1.9
83.04972	1.1
84.04510	0.9
84.08145	5.8
85.02890	2.8
86.09706	4.3
87.04444	0.4
89.03930	1.0
91.05467	3.0
93.03423	0.5
93.07047	1.4
94.06534	0.5
95.01314	0.8
95.04939	2.1
97.02891	1.4
97.06558	0.7
98.97585	1.1
99.04443	0.6
100.11249	0.6
102.05534	0.5
103.03978	0.5
103.05499	0.5
105.07030	1.4
107.04963	1.8
107.08604	0.6
108.04514	0.4
109.02898	0.9
109.06525	1.1
109.10143	0.5
111.04437	1.5
111.08036	0.4
115.05493	0.6
116.07059	0.5
116.98607	1.1
117.03397	1.4
117.05661	0.6
117.07014	1.2
119.04956	1.7
119.08567	0.8
121.02876	0.5
121.06507	0.9
123.04406	1.3
125.01563	1.9
127.03918	1.1
129.05460	0.5
129.10257	4.8
130.07848	0.4
131.04936	0.6
131.08537	0.9
133.06454	0.6
133.10138	0.9
134.99712	0.9
135.04425	1.2
135.11641	0.6
136.05124	0.4
136.07616	0.5
137.05992	3.7
139.03896	1.3
143.05676	1.0
145.02823	2.7
145.04874	0.5
145.06479	0.6
145.10110	0.9
146.03203	0.5
147.04388	2.8
149.05986	1.9
151.03934	1.1
151.07544	0.8
153.01013	0.9
153.05464	2.0
158.06125	0.5
161.06007	1.5
161.09180	0.4
162.06700	0.7
163.03961	0.7
163.07597	0.6
165.00719	0.5
165.05473	0.9
165.06987	0.7
167.07082	1.4
171.02081	6.2
173.05994	0.6
175.07520	0.6
175.11165	0.6
177.00740	0.9
177.05452	7.0
177.09111	1.0
179.07152	0.8
181.05003	0.6
181.06425	0.9
187.07538	0.5
189.12578	0.4
191.07106	0.6
193.05008	0.6
193.06578	0.5
193.11990	3.7
195.06520	3.5
195.08055	0.6
195.13631	1.4
197.08058	0.7
201.03853	2.0
201.05534	1.6
203.05252	8.4
207.06543	0.8
210.06705	0.5
211.06079	0.6
211.09488	2.0
217.12189	0.6
219.01817	0.5
221.05887	0.7
221.42697	0.4
229.03793	0.6
229.08339	0.5
230.08322	0.5
242.18701	1.0
253.08640	1.0
255.06458	0.6
267.06503	0.4
269.07968	0.5
277.08496	0.5
281.08023	0.5
285.11224	1.0
295.06116	0.4
295.09576	0.8
299.12952	0.7
313.11032	1.3
323.09088	0.5
325.10696	1.0
327.12238	0.5
341.10342	0.5
343.12109	0.5
355.11777	1.3
373.14456	9.1
373.18390	100.0
374.18820	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1284
Annotation	Naphthgeranin C
Peak:m/z	Relative Intensity
51.02393	0.2
55.05509	0.3
56.96571	0.3
62.02591	0.2
65.03945	3.3
67.05497	0.4
69.03426	2.0
69.33094	0.5
69.33430	2.3
78.42575	0.2
79.05504	0.4
81.07053	0.8
85.02901	0.3
86.09694	0.3
91.05484	100.0
92.05818	2.2
93.03416	0.6
93.07037	0.3
97.02924	0.2
97.06557	0.4
99.04434	0.3
103.05506	0.3
105.07047	0.8
107.04919	0.3
107.08628	0.4
109.02858	0.3
109.10195	0.2
111.04446	0.3
115.05460	0.4
117.07041	0.5
119.04971	0.3
119.08590	0.5
120.80083	0.2
121.10147	0.3
127.03949	0.3
131.04955	0.4
133.06462	0.4
133.10072	0.3
135.04425	0.2
137.06009	0.5
140.57315	0.2
141.07059	0.3
143.05746	0.4
145.06535	0.6
147.04445	0.4
147.11678	0.7
149.02359	1.0
151.03906	0.3
159.04341	0.2
161.02385	0.4
161.06039	0.9
163.03922	0.2
165.06960	0.3
165.12825	0.6
167.03413	3.6
167.07077	0.9
173.06012	0.5
175.04034	0.3
177.05524	0.3
179.03445	0.3
187.03830	0.3
191.03436	0.3
197.04509	0.6
201.05522	0.6
205.05002	0.3
205.46939	0.2
215.03532	0.4
217.04971	0.4
217.38344	0.2
219.06464	0.3
225.10216	0.2
227.07086	0.4
228.04207	0.8
229.05035	1.0
239.06950	1.1
239.11754	0.3
241.05020	0.3
245.04584	0.3
246.05295	0.8
247.06029	3.1
251.07198	0.4
253.09863	0.3
257.08105	0.8
259.06024	0.5
265.07080	0.5
267.11340	0.3
269.08157	0.7
271.06064	2.4
272.06406	0.5
281.08249	0.5
283.08185	0.7
293.08069	1.4
295.10538	0.4
311.09164	0.9
313.11929	1.2
319.09637	4.0
337.10718	10.8
338.11087	0.8
355.11722	3.9
356.12140	0.4
373.13550	5.2
373.18497	1.1
374.14056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.4
56.96557	8.3
67.05499	4.4
69.03433	7.6
70.06593	4.2
71.58960	4.5
79.05500	4.4
81.03397	6.0
83.04986	3.0
84.08117	2.6
85.02906	4.3
86.09714	3.6
89.03904	2.7
91.05426	4.2
93.07055	2.8
95.04974	7.3
96.40038	2.5
97.02932	3.4
98.97573	2.6
103.05502	12.3
105.07023	6.8
107.04958	83.0
115.05471	5.0
117.03364	2.6
117.07058	4.1
119.04893	3.3
120.05714	4.2
123.04483	6.1
131.04955	4.7
135.04474	4.1
135.08066	30.3
137.05968	3.6
139.03899	3.8
143.00250	3.7
143.05641	6.9
145.02853	2.9
147.04424	4.6
151.03961	2.4
153.05592	3.6
161.01273	3.6
163.03987	12.2
163.07549	100.0
165.05556	3.1
167.07039	56.7
179.07011	3.2
180.07806	3.3
195.10172	61.3
211.05884	3.9
213.00990	2.4
213.11269	4.1
261.04678	2.7
310.15683	3.2
373.14734	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	372.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78665	0.5
55.05500	1.0
56.96569	10.0
57.03434	0.5
58.69615	0.5
59.65042	0.5
62.32570	0.5
67.05497	1.1
69.03409	0.6
69.07050	0.8
69.56233	1.9
69.56663	2.3
71.95260	0.7
79.05484	0.7
79.21688	0.6
81.07067	1.0
83.08605	0.9
93.07030	0.7
95.08578	1.7
98.97603	0.7
99.90006	0.5
104.44250	0.6
105.06984	0.6
107.08573	0.6
108.67886	0.6
109.10126	0.7
110.22728	0.6
110.97575	0.7
116.98572	1.7
128.98611	1.7
137.02696	0.6
138.47620	0.5
146.99629	2.8
148.95387	0.6
149.01259	0.9
157.01808	0.7
161.01262	0.7
165.00758	0.5
171.03331	1.9
185.04858	1.5
189.04326	1.6
191.05942	0.6
197.04990	0.7
199.06421	2.3
199.08168	0.6
201.04446	0.9
203.05904	4.6
205.07422	0.8
211.06375	0.8
213.07916	0.7
217.04160	1.6
217.07460	8.3
217.40445	0.6
221.06912	1.0
223.02759	2.0
223.08549	1.3
225.08022	0.6
226.05232	1.1
229.07632	0.8
231.06870	0.8
231.09052	1.0
235.08470	0.7
237.04324	3.3
241.07597	0.6
249.08043	0.7
253.11314	0.9
255.05229	0.9
262.08630	1.2
267.09036	1.5
279.08939	0.7
280.09845	1.8
285.10126	1.7
297.10031	0.8
298.10904	1.6
303.08026	0.6
307.15799	2.1
325.16919	0.9
331.15656	15.2
349.16852	100.0
350.17197	2.8
367.17941	5.1
372.18451	15.4
372.28577	0.8
373.18484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07705	0.9
54.77813	1.1
56.96568	7.8
62.73830	1.0
69.82463	6.3
71.10091	1.0
81.03411	1.1
81.07052	0.9
81.20724	1.1
84.08169	1.1
84.96036	2.4
98.97598	10.5
110.97569	1.5
116.98634	5.5
117.82941	1.0
118.92110	2.9
128.98639	1.7
134.99684	2.2
136.93120	21.6
136.94154	1.4
138.05522	1.3
140.98544	2.0
143.00165	7.9
146.99702	1.7
150.94666	2.2
154.94167	56.3
158.32710	1.0
158.99658	4.2
161.01189	7.5
168.95755	3.4
172.95238	100.0
177.00665	6.2
186.96803	17.0
190.96280	51.9
190.98044	1.5
195.01823	1.9
198.96902	1.4
201.00786	1.2
204.97832	16.6
210.96768	1.5
214.96341	2.9
217.52922	1.0
219.01811	3.1
224.98497	1.3
228.97864	12.8
237.02826	13.9
238.96275	2.2
242.99489	2.9
246.98940	16.7
252.97861	2.0
255.03870	23.0
256.97406	2.6
270.99066	1.4
273.04919	2.2
283.85501	1.2
284.33813	1.0
289.00818	1.3
298.98526	6.5
302.85431	1.0
313.00012	1.9
316.99426	43.8
331.01111	2.5
335.00510	75.0
349.02109	5.6
353.01370	2.1
358.01941	2.1
367.03055	1.2
373.02151	21.3
391.03137	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.7
56.96565	9.4
57.03423	5.7
57.07076	9.5
67.05506	50.5
69.03424	6.1
69.07070	17.2
71.22434	11.8
79.05501	33.4
81.07053	43.4
82.79893	4.2
83.04986	12.3
83.08629	10.9
91.05474	35.4
93.07042	100.0
95.04973	13.6
95.08617	45.8
97.06534	20.7
97.10177	6.7
101.06017	5.1
105.07045	61.3
107.08586	53.0
109.06525	10.8
109.10134	31.0
117.07018	14.1
119.08580	67.3
121.06502	8.3
121.10168	37.5
123.08159	9.2
123.11697	14.3
123.34943	4.6
128.06032	5.1
129.07001	6.5
130.61386	5.2
131.08543	31.3
131.93452	5.1
133.10150	50.7
135.08076	8.1
135.11688	18.2
139.07544	43.6
141.06993	5.5
142.07803	11.1
143.08542	21.8
145.10129	36.4
147.06555	5.0
147.08086	5.7
147.11696	24.1
149.09650	8.8
151.11139	4.6
157.10159	30.3
159.11711	29.8
161.09654	9.7
163.11108	5.9
168.09457	4.7
169.10071	11.4
170.10899	6.0
171.11720	19.2
173.13289	19.1
175.14832	16.6
181.10097	8.1
182.64359	5.0
183.08194	5.1
183.11760	7.2
185.13295	16.3
187.14845	16.9
189.16466	8.4
195.11751	11.7
197.13303	12.4
199.11320	4.8
199.14761	9.8
201.16199	5.7
207.11719	6.9
209.13306	9.4
211.14880	8.6
223.14890	6.9
225.16460	9.4
227.14345	6.5
239.17938	9.1
251.17992	5.4
268.26694	5.1
353.24643	12.3
371.25858	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	371.1126
Annotation	Glycyrrhiza flavonol A
Peak:m/z	Relative Intensity
52.60128	0.3
55.01869	0.4
59.04996	0.6
66.34210	0.4
67.05494	0.9
68.99803	0.3
69.03411	0.5
71.04981	0.3
72.44910	0.3
79.05460	0.4
81.03397	0.3
91.05484	0.8
105.03410	0.4
105.06995	0.6
107.04936	0.5
114.82339	0.3
119.04915	0.8
119.08548	0.7
123.04432	0.4
133.02843	0.4
135.04434	1.0
137.02342	3.3
137.05925	0.4
141.01796	2.0
141.06958	0.4
145.06506	0.5
147.04393	0.4
147.11707	0.6
149.02283	0.4
151.03845	0.4
153.01822	0.4
161.02371	0.5
161.58904	0.4
165.01839	4.4
167.07033	1.2
169.06487	0.7
175.03885	1.1
176.04231	0.4
177.01753	0.8
179.03386	0.7
183.02919	3.7
187.07460	0.5
189.05344	0.3
197.05972	1.2
207.06514	1.1
208.06921	0.9
209.07071	1.3
215.07036	2.2
221.06146	0.3
225.05481	0.9
227.07115	0.5
229.04817	0.4
243.06554	0.6
245.04472	0.8
253.04999	0.8
255.06523	0.6
258.41388	0.3
261.09262	0.4
265.05020	0.8
271.05997	3.0
272.46933	0.4
281.04480	0.9
283.06024	2.5
287.05521	1.3
295.06067	0.6
299.05505	73.6
300.05798	2.5
307.09552	0.7
310.04620	0.4
311.05542	6.1
311.09186	0.9
312.06284	0.4
313.07108	1.2
321.11346	0.4
323.05499	0.9
324.06256	1.3
325.06982	0.8
325.10645	0.7
335.09195	2.2
337.07153	0.5
338.07776	2.2
353.10190	14.4
354.10614	0.8
371.11252	100.0
372.11606	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	371.1493
Annotation	LETESTUIANIN B
Peak:m/z	Relative Intensity
53.03948	5.4
55.01851	3.5
55.05517	2.8
57.03408	3.4
57.04086	2.3
65.03954	3.5
67.05496	6.0
69.03434	22.2
69.07072	4.7
70.03775	2.5
71.04991	4.3
71.60715	2.8
77.03913	2.4
79.05503	24.7
81.03408	11.1
81.07051	11.4
83.04974	4.9
83.15704	2.5
85.02927	3.1
85.06538	3.5
91.05492	42.4
92.05817	6.4
93.07039	9.6
94.04202	4.9
94.06550	3.0
95.04973	6.8
95.08638	5.3
97.02894	5.2
103.05488	4.4
105.07031	9.1
107.04967	24.3
107.08588	6.7
109.02901	11.7
109.06515	8.2
109.10142	6.4
111.04443	5.1
115.05464	6.1
117.03349	2.5
117.07021	3.9
119.04957	36.5
119.08562	4.8
120.05289	14.6
121.02888	4.9
121.05550	7.3
121.06504	6.0
121.10159	5.4
122.03664	5.6
122.06052	5.7
123.04417	18.4
124.05195	5.7
127.03918	6.5
128.06213	9.4
129.06985	14.6
130.07805	2.7
131.04939	7.4
131.08569	11.1
132.05713	3.3
133.06534	5.0
135.04443	3.0
135.11716	4.6
137.05983	100.0
141.07022	5.4
143.05672	7.8
144.05711	11.7
145.02843	2.7
145.06511	4.7
145.10147	3.3
147.04428	39.5
147.11642	2.8
148.04787	9.8
149.04927	9.8
149.06004	8.0
151.03926	25.0
151.07561	8.1
156.05740	20.6
157.06467	6.6
158.07301	5.2
159.08069	18.5
160.05156	3.1
161.05956	7.9
163.07530	4.1
163.11159	4.8
165.05486	7.1
167.07062	92.8
168.07411	3.5
169.06485	4.1
172.05249	2.7
173.05997	4.9
174.06757	6.8
175.03922	37.1
175.07556	21.1
176.04289	19.4
177.04234	20.4
177.05719	4.7
178.07770	4.1
179.07104	4.0
179.08626	3.7
181.04985	4.8
181.08748	2.9
184.05116	3.6
186.06696	2.7
187.07533	24.6
189.06979	3.2
189.09084	10.6
190.07767	5.7
191.07089	5.9
191.08612	5.7
191.10750	5.1
193.08592	4.9
199.07507	3.8
201.09102	4.6
202.06232	7.3
202.07896	6.1
203.03079	2.6
203.08560	10.5
205.06587	2.8
205.08583	6.6
205.10249	3.8
206.07312	6.6
207.06514	62.0
208.06909	43.4
208.08820	5.0
209.07040	58.1
211.07590	5.0
215.06917	5.3
215.08730	5.2
217.06665	2.8
217.08589	74.4
218.07317	11.4
219.08086	10.3
219.10197	26.9
220.08922	2.8
221.09702	8.2
223.07568	4.3
224.04767	3.6
224.08195	4.0
226.06297	5.3
231.08028	11.2
232.08871	6.9
233.09624	19.0
234.06720	11.3
235.07600	15.7
236.08211	3.2
239.07027	23.9
240.07573	2.9
241.08641	13.4
246.06918	5.4
247.07507	9.1
247.09706	24.7
248.08226	4.8
249.09154	25.7
250.09912	7.3
251.07053	10.7
252.07835	12.9
256.03619	3.0
257.08133	5.9
259.07837	2.8
260.08328	4.3
261.09192	32.8
262.06314	4.8
262.09668	4.6
263.07153	10.6
263.10663	4.6
264.07776	4.6
265.08612	5.3
265.13272	3.1
266.09305	9.1
269.08063	8.5
271.06046	6.4
275.06885	3.6
277.08572	24.9
278.09256	18.0
279.10110	8.1
280.07346	6.0
281.08249	3.5
281.11798	11.3
283.09372	3.1
285.07626	49.8
286.08313	3.4
289.08640	8.8
291.10104	5.1
292.07483	3.1
293.08160	7.0
293.11774	22.1
294.08694	5.3
295.09717	5.7
296.10440	3.1
299.05542	4.6
300.09964	57.7
301.10660	19.3
305.08191	3.7
306.08926	6.4
307.09662	8.0
309.11206	25.7
309.21991	2.7
311.09302	3.3
311.12991	5.8
313.10651	11.9
321.11224	34.2
322.11932	5.9
323.09070	6.9
325.10696	4.8
326.11572	17.3
327.12134	2.9
338.11386	8.2
339.12241	10.9
341.10294	3.6
341.13858	14.5
353.10428	5.5
353.13962	56.4
354.14288	5.5
369.47638	2.6
371.15280	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	371.1125
Annotation	2,3-Dehydrokievitol
Peak:m/z	Relative Intensity
55.01869	0.5
55.05501	0.4
65.03936	0.3
67.05497	1.2
69.86578	2.0
71.73450	0.3
81.07067	0.3
85.02910	0.4
91.05470	0.4
92.99738	0.5
103.02885	0.3
105.03387	0.6
107.04961	0.7
117.07001	0.4
119.04920	0.5
119.08575	0.4
121.02872	1.4
123.04429	0.3
133.10123	0.3
134.03613	0.5
135.04404	1.0
135.56226	0.3
137.02338	1.7
141.01833	1.0
145.06456	0.6
147.04427	0.8
149.02332	0.9
151.03949	0.6
153.07008	0.4
157.06474	0.4
161.02342	1.2
163.03958	0.5
165.01854	1.8
167.03412	0.8
167.06987	0.7
173.05931	0.4
175.03955	0.8
175.07492	0.3
177.01785	1.8
179.03456	0.4
181.06488	0.7
183.02875	1.5
187.07527	0.3
189.05458	0.4
190.02542	0.5
191.03343	0.4
191.07050	0.4
195.08112	0.3
197.05922	0.8
199.07523	0.5
201.05470	1.1
202.07918	0.3
203.06941	0.3
204.04303	0.3
205.10176	0.5
207.06378	0.5
208.06915	0.4
213.05466	0.5
218.07280	0.7
219.06468	1.0
219.08302	0.4
225.05589	0.5
233.09576	0.9
237.05453	0.8
241.04832	0.4
243.06598	0.6
245.04413	0.6
251.10625	0.4
253.05013	0.6
255.06516	1.3
261.09128	1.4
264.07755	0.5
265.05023	1.2
265.13751	0.4
265.41977	0.4
267.06241	0.3
269.08163	0.4
269.11862	0.3
271.06052	0.9
279.10190	1.1
281.04526	0.7
283.06021	4.7
287.05505	1.3
292.07254	0.6
293.04556	0.5
295.06006	1.3
296.06882	0.5
297.07657	1.1
297.11102	0.6
299.05493	35.7
300.05841	0.8
307.09708	1.1
310.04568	0.4
311.05487	5.4
311.09158	1.4
313.07172	0.8
317.08096	0.4
320.07010	0.4
321.07730	0.5
323.05533	3.7
324.06290	4.3
325.07053	2.0
325.10657	1.0
335.09094	4.5
337.07187	3.0
338.07819	7.0
353.10187	100.0
354.10562	2.5
371.11249	1.8
371.15179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1124
Annotation	Glycyrrhiza flavonol A
Peak:m/z	Relative Intensity
53.03930	0.4
55.01855	0.9
55.05494	0.8
56.96545	0.5
65.03928	0.6
67.05503	3.2
69.03400	1.3
69.07040	0.8
69.65380	1.3
69.65801	1.1
71.04960	0.5
79.05451	1.0
81.03368	0.4
81.07030	1.3
83.04095	0.4
83.04975	0.5
83.08587	0.5
85.02901	0.6
86.00648	0.4
91.05437	2.2
92.99770	0.6
93.07017	1.1
95.04960	0.8
95.08585	0.6
97.02864	0.8
97.06505	0.5
105.03356	0.8
105.07002	0.9
107.04929	1.0
107.08565	1.1
109.06468	0.6
109.10106	1.3
115.05424	0.4
117.03334	0.5
119.04916	1.4
119.08498	0.5
121.02873	0.8
121.06475	0.4
121.10124	0.8
122.03603	0.4
123.08034	0.4
125.09642	0.5
127.03871	0.6
128.06219	0.7
129.06999	0.8
131.04930	0.6
133.02838	0.9
133.10144	0.5
135.04376	1.1
135.08075	0.4
137.02354	2.7
137.05975	1.8
141.01797	1.3
141.06949	0.7
143.05699	0.6
145.06444	0.8
145.10080	0.5
147.04362	1.5
147.06429	0.5
147.11685	0.7
148.04636	0.5
149.02379	1.0
149.04881	0.5
151.03854	0.5
155.03337	0.5
157.06502	0.4
158.07245	0.5
161.02325	0.9
161.05910	0.4
165.01813	2.4
167.03363	0.4
167.07043	2.7
169.06459	1.8
173.02452	0.4
175.03906	1.8
175.07574	0.6
176.04266	1.1
177.01765	1.1
177.04416	1.0
181.04999	0.7
181.06491	1.0
183.02902	2.0
187.07515	0.9
189.09021	0.6
190.02533	0.4
191.06967	0.7
197.05936	1.5
197.09247	0.6
199.07422	0.5
201.05455	0.7
207.06577	2.1
208.03584	0.4
208.06871	2.1
209.07025	1.9
215.07045	3.2
217.08514	0.7
219.06364	0.5
219.08293	0.4
225.05334	0.5
227.07033	0.5
233.09604	1.1
235.07426	0.5
241.05238	0.4
241.08559	0.5
243.07965	1.2
243.63338	0.4
245.04234	0.5
249.05286	0.3
249.09102	0.5
253.04825	0.9
255.06468	1.4
257.04364	0.7
261.09158	1.2
264.07617	0.5
265.05103	0.6
265.08380	0.4
271.05899	3.4
277.08655	0.5
279.10095	0.9
281.04376	1.0
283.06012	3.4
285.07629	0.6
287.05453	1.7
289.08633	0.4
293.04672	0.5
293.07977	0.5
295.06259	0.7
297.07602	0.6
297.28082	0.4
299.05493	62.2
300.05881	1.6
300.09888	0.7
307.09653	0.9
309.11200	0.6
310.04871	0.5
311.05478	6.3
311.09082	1.5
313.06955	1.2
315.07678	0.7
317.08029	0.6
321.07678	0.6
321.11148	0.5
323.05579	3.1
324.06329	3.0
325.07037	1.5
325.10587	0.9
335.09045	3.9
337.06955	1.9
338.07803	4.5
339.12418	0.7
353.10190	37.3
354.10464	1.1
371.11237	100.0
372.11826	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	29.6
57.03462	9.0
59.09717	10.4
65.03941	20.4
65.87666	7.6
67.05511	12.6
69.03429	23.8
69.94788	13.5
69.95200	31.1
70.06593	9.1
74.06071	9.2
75.44511	8.7
79.05486	13.2
81.03428	18.8
83.04990	13.4
84.08141	21.7
85.02911	31.4
91.05849	87.6
93.03403	17.9
94.53683	9.4
95.04955	28.2
97.02895	22.8
98.77600	8.4
98.86781	10.1
98.97607	26.5
101.06047	19.7
105.03432	9.6
107.04958	13.1
110.35872	8.9
110.97560	11.0
111.04446	26.1
116.98600	32.0
117.03407	10.6
119.04926	20.1
121.02865	34.5
123.04429	55.3
127.03920	13.2
128.98625	26.0
129.05486	22.7
133.02844	39.3
134.99695	24.4
135.04445	36.2
137.02339	11.7
139.03952	11.3
145.02914	16.1
146.99646	48.3
147.04433	47.6
147.06549	35.8
149.01213	12.6
149.09601	8.7
150.03204	10.4
151.03900	33.9
161.02332	51.2
163.03914	59.4
164.07121	13.5
167.06999	15.0
170.05740	18.5
175.03778	12.3
177.00568	14.3
179.03383	98.8
184.79535	10.8
189.00674	13.2
198.80713	9.8
201.00790	9.2
207.06563	26.3
208.06783	14.5
209.04407	26.1
209.07141	17.0
210.07516	12.1
219.01651	20.3
230.00958	22.9
237.02821	100.0
248.02161	16.8
255.03874	11.9
268.97845	19.5
285.00967	18.1
297.05609	11.1
303.01938	22.5
355.07126	14.2
371.06659	62.8
386.05969	9.6
389.07141	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	371.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06194	6.7
69.69942	30.0
69.70350	12.6
109.43639	7.2
109.88978	6.9
155.98512	8.4
186.97559	6.8
188.09651	7.6
245.30721	8.5
371.07388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01852	2.7
55.05510	21.5
56.96552	3.4
57.03439	8.7
57.07070	8.3
61.02937	1.8
65.03941	2.0
67.05180	2.6
67.05504	37.9
69.03439	11.4
69.07067	18.4
71.04969	4.1
71.08625	11.5
79.05495	21.0
81.03427	9.6
81.07056	36.1
83.04965	5.9
83.08621	10.2
85.02888	4.3
85.06529	3.6
85.10174	11.2
90.33137	1.5
91.05482	41.7
93.07043	21.9
95.04979	18.7
95.08606	21.4
97.02881	4.1
97.06506	5.3
97.10165	6.3
98.20770	4.8
99.04449	2.2
99.08091	9.5
105.07021	20.1
107.04945	5.0
107.08601	20.8
109.02817	2.2
109.06509	4.6
109.10162	25.0
111.08076	3.6
112.19044	1.6
113.09642	12.0
117.07022	5.3
119.04939	29.9
119.08573	10.9
121.10150	10.6
123.08038	3.3
123.11700	3.9
125.09634	8.9
127.03897	6.0
127.11222	1.7
129.07018	3.3
131.08559	7.3
133.10115	14.0
133.93488	1.7
135.08017	2.4
135.11681	6.5
137.05913	1.5
137.09575	2.8
143.08549	2.5
145.10107	3.7
147.04410	25.6
147.11710	9.0
149.09624	4.8
149.13277	3.7
151.11206	16.7
157.10104	3.3
159.11661	2.8
161.13280	5.7
163.11159	5.8
165.12755	21.5
169.12233	2.3
171.11671	3.4
173.11754	7.5
173.13086	2.0
175.03908	47.2
176.04279	2.2
179.14334	5.9
185.13321	2.3
189.11211	7.7
189.12747	2.7
190.95367	1.4
191.00011	2.4
195.13783	1.9
205.37405	1.5
207.06532	100.0
207.13760	2.7
208.06889	5.8
225.07587	2.1
227.12758	4.2
229.07385	2.5
241.19609	2.7
245.13965	2.8
247.08504	2.3
249.22162	1.7
253.18080	3.2
259.20526	5.6
277.21616	53.7
278.21820	2.7
295.22684	65.3
296.22797	1.8
298.96426	1.5
347.15417	2.4
349.16827	2.1
351.25497	9.0
369.12643	4.7
369.26727	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01875	19.9
55.05268	4.7
55.05513	62.0
56.96567	18.4
57.03437	29.5
57.07074	10.1
61.02923	6.5
65.03937	5.4
65.07096	2.8
67.05506	83.4
69.03410	17.4
69.07070	38.0
69.86068	17.4
71.05000	8.1
71.08637	44.3
73.02911	5.7
79.05496	45.0
81.03415	12.3
81.07057	100.0
83.04984	13.2
83.08619	50.1
85.02902	8.0
85.06544	6.8
85.10171	8.7
91.05480	68.6
93.07043	48.5
95.04950	16.9
95.08608	48.3
97.02882	8.5
97.06538	16.3
97.10163	5.0
99.08104	41.7
105.07024	41.5
107.04958	6.9
107.08585	28.5
109.06521	12.2
109.10159	31.0
111.08086	24.8
113.09634	11.7
117.06976	15.5
119.04955	35.3
119.08585	27.2
121.06491	5.2
121.10134	25.6
123.08074	8.5
123.11723	10.4
125.05969	2.7
125.09637	7.1
127.03928	8.3
127.07587	3.1
127.11179	3.5
128.06221	6.1
129.06981	14.4
131.08604	19.0
133.06514	5.0
133.10132	25.2
135.08084	4.2
135.11670	15.1
137.09642	8.2
137.13159	3.1
139.11188	10.2
141.07004	6.2
142.07777	3.3
143.08582	13.2
145.06479	4.3
145.10101	13.8
147.04413	25.8
147.08028	7.2
147.11688	32.5
149.09625	8.3
149.13219	17.4
151.11232	15.8
155.08557	9.8
157.10123	10.0
159.08153	2.9
159.11697	9.1
161.09676	3.3
161.13298	10.1
163.11212	10.9
165.12759	27.4
167.03427	7.0
167.14404	3.7
169.10197	4.3
171.08035	3.7
171.11684	9.1
173.11833	5.1
173.13293	4.2
175.03920	49.9
175.05460	3.5
175.11235	11.4
175.14850	6.0
179.14328	10.2
181.10313	3.0
181.12216	4.3
183.11790	5.9
189.12856	3.9
207.06526	96.8
207.13622	3.7
208.06885	8.2
208.96547	4.5
217.07472	5.1
229.07304	15.0
229.14418	8.6
231.21286	3.1
232.96220	4.0
235.14851	5.1
237.08720	3.4
241.19554	6.9
247.08604	21.8
249.22176	7.1
255.09174	3.7
259.20520	9.8
269.10712	3.6
277.21649	73.1
284.12827	3.6
285.10156	5.1
287.11679	3.1
295.22589	13.3
306.27988	9.9
323.30658	4.5
324.60187	3.5
333.22119	4.3
341.24570	3.9
349.16843	10.0
351.23096	12.6
351.25555	8.7
367.17813	7.6
369.12991	12.0
369.24469	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01875	19.9
55.05268	4.7
55.05513	62.0
56.96567	18.4
57.03437	29.5
57.07074	10.1
61.02923	6.5
65.03937	5.4
65.07096	2.8
67.05506	83.4
69.03410	17.4
69.07070	38.0
69.86068	17.4
71.05000	8.1
71.08637	44.3
73.02911	5.7
79.05496	45.0
81.03415	12.3
81.07057	100.0
83.04984	13.2
83.08619	50.1
85.02902	8.0
85.06544	6.8
85.10171	8.7
91.05480	68.6
93.07043	48.5
95.04950	16.9
95.08608	48.3
97.02882	8.5
97.06538	16.3
97.10163	5.0
99.08104	41.7
105.07024	41.5
107.04958	6.9
107.08585	28.5
109.06521	12.2
109.10159	31.0
111.08086	24.8
113.09634	11.7
117.06976	15.5
119.04955	35.3
119.08585	27.2
121.06491	5.2
121.10134	25.6
123.08074	8.5
123.11723	10.4
125.05969	2.7
125.09637	7.1
127.03928	8.3
127.07587	3.1
127.11179	3.5
128.06221	6.1
129.06981	14.4
131.08604	19.0
133.06514	5.0
133.10132	25.2
135.08084	4.2
135.11670	15.1
137.09642	8.2
137.13159	3.1
139.11188	10.2
141.07004	6.2
142.07777	3.3
143.08582	13.2
145.06479	4.3
145.10101	13.8
147.04413	25.8
147.08028	7.2
147.11688	32.5
149.09625	8.3
149.13219	17.4
151.11232	15.8
155.08557	9.8
157.10123	10.0
159.08153	2.9
159.11697	9.1
161.09676	3.3
161.13298	10.1
163.11212	10.9
165.12759	27.4
167.03427	7.0
167.14404	3.7
169.10197	4.3
171.08035	3.7
171.11684	9.1
173.11833	5.1
173.13293	4.2
175.03920	49.9
175.05460	3.5
175.11235	11.4
175.14850	6.0
179.14328	10.2
181.10313	3.0
181.12216	4.3
183.11790	5.9
189.12856	3.9
207.06526	96.8
207.13622	3.7
208.06885	8.2
208.96547	4.5
217.07472	5.1
229.07304	15.0
229.14418	8.6
231.21286	3.1
232.96220	4.0
235.14851	5.1
237.08720	3.4
241.19554	6.9
247.08604	21.8
249.22176	7.1
255.09174	3.7
259.20520	9.8
269.10712	3.6
277.21649	73.1
284.12827	3.6
285.10156	5.1
287.11679	3.1
295.22589	13.3
306.27988	9.9
323.30658	4.5
324.60187	3.5
333.22119	4.3
341.24570	3.9
349.16843	10.0
351.23096	12.6
351.25555	8.7
367.17813	7.6
369.12991	12.0
369.24469	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.1
55.05513	27.4
56.96547	10.7
57.03439	50.3
57.07069	6.1
65.03943	4.3
67.05504	91.3
69.03426	15.4
69.07076	29.6
69.07390	5.9
69.93112	11.1
69.93516	12.3
71.04981	5.9
71.08633	8.6
75.04484	5.1
79.05493	77.6
81.07053	100.0
83.04988	8.7
83.08601	18.2
85.02897	7.9
85.06520	11.0
91.05476	80.8
93.07043	87.9
95.04950	11.6
95.08611	96.2
97.06534	15.7
97.10165	13.4
99.08087	10.5
102.94095	4.0
105.07027	50.4
107.08597	67.5
109.06517	15.3
109.10164	42.5
111.08092	4.1
117.07011	21.3
119.04948	23.3
119.08585	44.9
121.06522	4.7
121.10143	63.6
123.08054	16.4
123.11691	11.7
125.09645	10.2
127.03841	5.1
129.06998	9.7
131.07008	13.2
131.08574	31.3
133.10124	41.2
135.11687	38.2
137.09633	8.9
143.08606	7.3
145.10124	32.6
147.04396	20.7
147.11697	31.0
149.09634	8.4
149.13268	24.3
151.11177	8.5
157.10117	9.6
159.11707	26.8
161.13280	18.9
163.11130	11.2
165.12756	5.3
171.11687	14.2
173.13246	15.4
175.03885	30.0
175.14859	8.2
177.12796	5.2
185.13266	9.5
187.14810	41.1
193.15633	4.4
201.16373	5.6
203.17947	6.2
205.15916	16.4
207.06532	64.4
219.17589	4.3
221.18916	9.4
223.07285	3.9
237.00262	4.5
241.19502	21.2
259.20520	38.5
274.19638	4.5
277.21637	77.8
298.04770	11.1
313.07025	20.0
333.23853	4.5
351.25415	48.0
365.16449	5.6
369.12589	4.5
369.23813	4.9
379.15073	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.4
55.01867	9.3
55.05513	28.0
56.96548	5.5
57.03198	4.1
57.03440	46.2
57.07056	7.7
61.02934	4.9
65.03958	5.5
67.05507	89.7
69.03432	8.5
69.07067	25.8
69.25817	4.1
71.04992	12.5
71.61314	6.2
79.05492	81.0
79.19610	3.8
81.07056	100.0
83.04974	9.4
83.08627	13.2
85.06532	11.9
88.95935	4.0
91.05489	68.5
93.07043	99.2
95.04970	11.9
95.08608	87.6
96.73492	3.5
97.02905	6.0
97.06540	20.4
97.10173	12.7
99.08096	12.1
105.07032	53.4
107.08594	68.6
109.06492	10.4
109.10160	47.2
111.08059	12.4
113.09681	4.9
117.07027	20.1
119.04915	24.9
119.08585	44.0
121.10130	57.5
123.08087	12.7
123.11676	9.6
125.09609	8.3
129.06998	7.9
131.07101	8.1
131.08553	39.6
133.10129	46.4
135.11710	41.6
137.09602	8.2
139.11217	7.1
141.09183	4.6
143.08551	10.3
145.10156	35.0
147.04344	21.3
147.11664	33.0
149.09592	4.3
149.13263	19.6
151.11180	12.9
153.12755	4.1
157.10147	9.7
159.11702	34.3
161.13269	20.3
163.11223	7.1
163.14865	8.2
165.12769	7.9
171.11697	15.7
173.11780	7.4
173.13243	7.6
175.03922	38.0
175.14938	7.8
177.12865	4.3
177.37111	3.8
185.13286	11.5
187.14828	40.5
199.14760	7.9
201.16348	8.8
203.17981	5.5
205.15878	20.4
207.06552	66.5
219.17412	4.5
221.19019	9.5
224.85170	3.9
229.14369	4.5
241.19543	14.9
259.20621	32.9
277.21646	78.8
295.22647	10.3
298.04709	7.4
304.48364	4.2
313.07101	24.8
347.15283	4.3
351.25351	53.3
369.12402	3.8
369.23801	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	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83029	3.2
53.03948	5.1
54.69416	3.2
55.01867	6.8
55.05503	32.0
56.96568	4.8
57.03439	52.0
57.07063	4.9
57.56151	3.4
64.33147	3.5
65.03937	6.5
67.05505	85.1
69.03431	15.3
69.07072	34.5
71.04993	14.1
71.60011	7.3
73.79748	3.6
77.03899	4.2
79.05489	69.4
79.82265	3.2
81.03397	5.3
81.06585	7.2
81.07054	100.0
81.25344	3.8
83.04977	10.3
83.08619	13.8
85.02927	6.7
85.06546	6.1
87.61202	5.0
88.07609	3.6
91.05486	69.5
92.05795	5.2
93.07043	87.5
95.04969	11.3
95.08604	93.1
97.02921	6.6
97.06541	9.7
97.10162	6.3
99.04434	6.7
99.08064	6.5
105.07029	50.8
105.16083	3.3
107.08601	56.5
109.06522	11.8
109.10149	40.6
111.08083	5.3
117.07040	16.3
119.04931	16.2
119.08582	35.9
121.10146	50.4
123.08072	12.9
123.11715	5.1
125.09681	7.0
129.07040	4.7
131.07022	6.5
131.08546	25.6
133.10138	43.9
135.08066	5.3
135.11691	36.4
137.09642	6.9
139.11133	5.7
145.10129	24.5
147.04385	18.2
147.11699	24.6
149.13246	14.7
151.07466	4.4
155.08640	4.3
157.10136	6.6
159.11711	18.9
161.13281	11.3
163.11180	5.1
163.14815	4.2
165.01823	4.3
165.12750	4.9
171.11711	10.1
172.99620	3.2
173.11801	7.3
173.13277	12.4
175.03938	38.3
175.14818	8.7
177.05495	4.6
179.14316	4.3
183.02907	5.7
185.13214	5.0
187.14813	30.9
195.13972	4.0
199.14873	4.2
201.16399	4.5
203.17903	4.1
205.15924	15.3
207.06526	65.4
208.06902	4.3
217.07495	7.1
221.18994	6.2
229.07533	5.6
229.14336	4.5
241.19662	8.7
247.08549	7.9
259.20563	24.8
277.21619	47.1
313.07083	20.7
351.25409	37.3
365.16348	7.5
369.25986	9.8
384.86356	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	369.1331
Annotation	Isoglycycoumarin
Peak:m/z	Relative Intensity
50.61851	0.2
64.55865	0.2
68.34876	0.3
78.04737	0.3
98.21484	0.8
106.04167	0.6
112.04444	0.2
126.85566	0.2
134.03659	2.8
151.03912	0.4
162.01097	0.3
165.01836	0.7
183.02948	0.6
186.06822	0.3
197.05978	0.4
201.73703	0.2
213.05492	0.7
214.06241	0.8
225.05402	0.3
229.41039	0.3
241.04941	3.2
242.05748	1.6
253.04958	0.5
269.04440	0.9
270.05228	4.9
285.07773	0.3
297.03897	0.7
298.04724	39.2
299.05063	1.5
313.07053	100.0
314.07376	3.8
359.51944	0.3
369.13361	7.7
370.13708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1332
Annotation	Ciliatin B
Peak:m/z	Relative Intensity
53.03912	0.6
56.61848	0.2
65.03898	0.5
67.05478	0.3
69.03407	0.3
70.28623	0.3
70.29004	0.7
71.51939	0.2
77.05395	0.2
77.14285	0.1
79.05461	0.2
81.03418	3.1
81.07011	0.3
89.03904	0.3
91.05466	0.3
93.07043	0.2
95.08587	0.2
98.21461	0.2
100.49434	0.2
105.03339	0.2
106.68256	0.1
107.04924	0.5
107.08546	0.2
117.03410	0.4
119.04906	0.5
121.02014	0.2
121.02862	3.5
129.06967	0.2
130.82405	0.2
131.08542	0.2
135.04419	1.4
137.02306	0.7
139.03845	0.8
143.08560	0.3
147.04407	0.3
149.02353	2.4
152.06172	0.4
153.06990	1.6
159.04337	0.2
161.02286	0.2
165.07036	0.3
167.03342	0.7
171.08040	0.4
175.03847	0.6
181.06494	1.9
183.08125	0.2
199.07512	1.0
207.06528	1.5
209.05977	2.5
211.07388	0.2
213.05496	0.4
226.06108	0.2
227.07060	1.4
237.05450	3.9
238.06030	0.2
241.04878	0.2
242.05763	0.3
255.06535	1.8
265.04910	0.9
270.05157	1.5
271.06027	0.3
283.06006	28.8
284.06342	0.6
289.91464	0.2
297.03976	0.4
298.04684	1.6
313.07037	100.0
314.07422	2.8
369.13327	8.1
369.24112	0.6
369.28448	0.2
370.13608	0.3
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
50.81440	0.5
53.03939	0.9
55.01870	1.0
56.96558	2.3
57.03436	1.4
61.02913	1.6
64.20816	0.6
65.03922	1.2
67.05537	0.6
69.03428	8.4
70.06566	1.0
71.58778	0.9
73.02911	1.2
77.03907	0.8
79.05481	1.2
79.71166	0.5
81.03394	1.6
84.08157	0.6
84.96031	0.6
85.02896	4.6
89.03900	4.4
90.04257	0.8
91.05481	22.0
92.05827	0.7
97.02879	1.8
98.97591	2.0
99.04459	0.5
103.05447	0.7
107.04977	1.6
109.02884	1.1
110.97554	0.7
116.98618	1.8
117.03370	4.9
119.04940	32.7
120.05215	0.5
121.02888	1.3
125.05938	0.5
127.03915	5.0
128.98663	0.6
131.04926	0.6
132.02081	1.4
133.02834	0.8
134.99706	1.0
135.04427	7.9
136.07635	0.6
137.05922	0.5
139.03824	0.5
143.00171	1.0
145.01744	0.9
145.02809	5.7
146.99640	1.4
147.04410	30.6
148.04773	1.2
149.01227	0.6
149.02356	1.6
149.05988	0.6
150.02968	0.7
152.84399	0.6
157.03972	1.9
161.01183	1.4
163.03909	29.4
164.04289	2.8
167.07004	1.2
175.03906	54.4
176.04189	1.1
177.00716	1.4
177.05484	1.7
179.07030	2.7
185.31354	0.7
189.00639	0.8
192.04124	0.7
198.04802	0.6
201.00710	1.8
207.06538	100.0
208.06833	1.8
219.01811	1.6
225.07465	1.0
231.01515	0.6
237.02896	1.8
251.04559	0.6
261.02878	1.2
269.05450	2.1
276.00327	0.7
279.04416	0.7
279.07254	3.2
288.07834	3.4
288.57516	0.5
298.86478	0.6
321.04907	0.9
369.05405	0.9
369.11792	6.1
369.16776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09192	0.4
53.42184	0.3
54.61754	0.3
55.01875	0.4
61.02917	1.0
65.03939	0.9
69.03078	0.6
69.03430	9.2
70.74420	1.1
81.03419	0.7
85.02895	0.7
89.03896	0.6
91.05479	23.0
97.02888	1.0
101.48057	0.4
103.05457	0.6
105.03384	0.5
109.02817	0.4
114.93163	0.4
119.04945	35.6
127.03916	4.9
129.03323	0.7
132.02061	1.2
133.02859	0.5
135.04474	0.6
136.05200	0.6
145.02890	0.6
147.04410	30.6
148.04733	0.8
149.02325	1.0
157.03944	2.3
164.04642	1.0
167.07059	0.7
175.03908	51.3
176.04292	0.7
179.07080	2.3
192.04163	0.6
207.06528	100.0
208.06831	2.9
225.07574	0.6
291.08578	0.5
351.10580	1.2
352.11252	0.5
369.11844	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	369.1181
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
53.98574	0.3
56.54568	0.3
61.02914	1.4
64.15064	0.5
65.03918	1.1
69.03429	6.1
71.28017	0.6
71.28355	0.4
77.03931	0.5
85.02901	0.6
89.03932	0.6
91.05482	24.9
92.05795	0.5
97.02887	0.9
103.05460	1.3
107.04893	0.4
119.04947	40.6
120.05264	1.1
127.03921	2.7
129.03381	0.7
132.02084	1.6
135.04396	0.8
136.05231	0.5
145.02753	0.9
146.03577	0.4
146.74773	0.4
147.04414	34.2
149.02364	1.4
157.03952	3.4
164.04668	1.2
167.07040	1.2
175.03909	56.5
176.04297	0.6
179.07062	3.4
179.77017	0.4
192.04109	0.7
207.06532	100.0
208.06894	1.7
225.07625	0.9
235.10080	0.4
273.07294	0.4
351.10907	0.5
369.11761	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	369.1183
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
50.37040	0.3
51.23777	0.3
61.02909	0.8
65.03947	0.9
66.17316	0.3
69.03434	9.2
69.92455	0.3
70.31502	1.3
77.06593	0.3
78.01701	0.3
85.02896	0.8
89.03924	0.5
90.60585	0.3
91.05483	18.4
95.04993	0.3
97.02896	0.8
103.05444	0.4
105.03374	0.5
107.04932	0.3
111.04467	0.3
118.04142	0.3
119.04949	31.1
120.05226	0.3
121.82903	0.3
127.03925	4.4
129.03378	0.6
132.02078	0.8
133.02902	0.4
136.05170	0.6
145.02888	0.8
147.04416	25.5
149.02283	0.8
157.02875	0.5
157.03943	2.0
163.14995	0.4
164.04698	0.7
167.07002	0.8
175.03915	45.1
176.04279	1.3
179.07076	1.8
192.04272	0.5
207.06538	100.0
208.06892	1.2
212.86743	0.4
219.06775	0.3
225.07549	0.8
263.09146	0.5
287.08984	0.4
291.08649	0.6
351.10757	1.7
369.11716	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.118
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
57.03429	0.4
61.02923	0.9
65.03938	1.4
67.05503	0.4
69.03426	10.8
70.91360	0.7
70.91727	0.6
77.03928	0.5
81.03410	0.5
81.85878	0.3
85.02904	0.9
86.64746	0.3
86.74624	0.3
89.03921	0.5
91.05478	21.1
93.26228	0.3
97.02892	1.0
103.05442	0.6
105.03378	0.4
107.04977	0.5
109.02878	0.6
118.04180	0.5
119.04939	32.8
120.05325	0.5
127.03909	5.0
129.03366	0.5
131.04932	0.4
132.02049	1.5
133.02831	0.4
135.04398	0.5
136.05208	0.4
137.05865	0.3
145.02832	0.6
147.04405	27.5
148.04735	0.9
149.02338	1.1
157.03976	2.5
162.03174	0.4
163.03885	0.4
164.04793	0.7
167.07019	1.0
175.03905	50.7
176.04280	1.6
179.07007	2.5
192.04153	0.7
207.06522	100.0
208.06862	3.7
219.06488	0.4
225.07588	1.3
235.06009	0.5
263.09091	0.4
291.08508	0.5
303.75037	0.3
351.10599	1.1
357.17810	0.4
369.11829	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	369.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.1
65.03933	1.2
69.03427	7.8
70.32065	1.1
70.32420	0.6
76.03160	0.4
77.03925	0.5
78.20921	0.3
85.02899	0.6
89.03931	0.4
91.05479	21.6
97.02885	0.9
103.05474	0.7
105.03412	0.4
119.04942	32.4
120.05285	0.5
124.23095	0.3
127.03928	3.2
129.03363	1.0
132.02058	1.7
133.02780	0.4
135.04451	0.4
136.05191	0.6
145.02834	0.8
147.04407	26.9
148.04735	0.4
149.02347	1.0
157.03944	2.5
164.04662	1.2
167.07059	0.9
175.03906	46.8
176.04285	0.9
177.05418	0.5
179.07021	2.0
183.89372	0.3
192.04182	0.4
207.06526	100.0
208.06859	1.0
219.06525	0.4
223.95389	0.3
225.07587	0.7
261.07602	0.5
263.09180	0.4
291.08795	0.5
351.10867	1.2
369.11868	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	369.1179
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.93188	0.3
52.34341	0.3
61.02922	0.8
64.00282	0.3
65.03946	1.1
69.03428	12.0
69.92194	1.3
71.01331	0.4
77.03941	0.5
81.03418	0.4
85.02887	0.9
89.03908	0.7
89.57789	0.3
90.10379	0.3
91.05481	23.4
95.04951	0.5
97.02893	1.5
99.04430	0.5
103.05452	0.8
105.03384	0.5
107.05013	0.3
109.02890	0.6
118.04178	0.7
119.04942	34.4
120.05291	0.7
121.02908	0.5
127.03924	4.3
129.03371	0.6
131.04883	0.6
132.02098	1.3
133.06479	0.3
135.04373	0.4
136.05283	0.3
145.02878	0.8
147.04408	30.4
148.04675	0.5
149.02348	1.0
157.03978	3.1
162.03036	0.4
163.03967	0.4
164.04672	1.0
167.07034	1.3
175.03906	50.9
176.04333	1.1
179.07047	2.8
192.04222	0.7
194.74541	0.3
207.06523	100.0
208.06879	2.4
212.17740	0.3
219.06558	0.4
225.07553	0.7
235.06061	0.3
261.07559	0.6
263.09042	0.7
273.07687	0.3
291.08569	0.4
304.87891	0.3
351.10806	2.3
369.11755	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	368.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84507	0.3
53.03954	0.5
55.01862	0.7
55.05488	0.4
56.96569	1.3
57.03434	1.0
60.04534	1.3
61.02922	1.0
65.03960	0.4
69.03426	3.7
70.06589	0.7
70.22061	1.5
71.04986	0.6
73.02893	0.6
78.18769	0.3
79.05498	0.4
81.03422	1.2
83.04993	0.8
85.02905	7.1
87.04481	0.9
88.04008	0.5
89.03934	1.9
91.03972	0.8
91.05492	1.7
95.04984	0.6
97.02895	2.3
97.06500	0.4
98.53008	0.4
98.97581	0.7
99.04475	0.4
106.04994	0.6
107.04969	0.5
109.02900	0.5
111.04425	0.5
116.98592	0.4
117.03419	0.8
119.04942	3.2
123.04416	0.5
125.02345	0.4
127.03926	1.7
132.04446	6.7
134.03635	1.3
135.04428	2.2
142.12175	0.4
145.02870	1.3
145.04988	1.0
146.05984	1.1
146.99622	0.4
147.04420	3.1
147.06346	0.9
151.03793	0.5
160.03906	0.5
160.13347	0.4
161.01237	0.6
162.03181	0.6
163.03903	8.4
164.04259	0.6
175.03920	4.7
177.01913	0.6
177.05467	0.6
178.04994	61.8
179.05333	1.5
188.07065	1.1
188.12871	0.7
189.07509	1.7
191.03479	0.5
206.04485	100.0
206.13835	2.0
207.04779	1.5
207.06532	8.7
219.01791	0.7
231.08444	0.6
237.02846	0.6
269.84418	0.4
368.10065	1.1
368.19174	0.4
369.11557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
56.96566	1.8
61.02901	1.3
63.02382	0.9
65.03928	4.1
67.05495	2.1
68.99786	1.0
69.03433	7.6
71.59265	1.7
76.37562	0.8
79.05486	2.8
81.03404	1.5
83.01301	1.0
83.04971	4.4
85.02892	3.6
89.03908	10.6
91.05479	17.2
93.03417	2.1
95.04988	5.2
97.02888	2.5
105.03394	1.6
107.04951	4.0
109.01406	0.9
109.02856	1.9
111.04445	5.6
113.02361	2.0
117.03382	9.8
119.04942	29.2
121.02863	7.0
123.04426	3.8
125.48122	0.9
127.03895	3.7
129.05489	1.9
133.02869	2.1
134.03641	3.2
135.04439	28.5
137.02357	2.4
139.03912	6.3
145.02853	16.4
146.03290	0.8
147.04410	26.2
149.02342	7.3
150.03134	3.5
151.03943	2.5
153.01836	1.1
157.03931	2.0
162.03056	1.6
163.03906	100.0
164.04277	3.7
167.03403	3.0
167.07008	1.6
175.03918	49.4
177.01849	16.2
177.05496	4.5
179.03391	3.1
179.06978	1.7
181.04950	1.0
195.02882	13.3
207.06534	91.9
208.06879	1.1
223.03409	1.0
235.06000	0.9
237.02823	1.5
275.57037	0.9
316.88370	1.0
351.11108	1.4
369.07959	2.4
369.11871	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	367.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34700	1.9
53.03939	6.7
55.01857	3.2
55.05513	22.7
55.38535	1.9
57.07069	9.2
59.05000	1.9
60.94149	2.2
65.03935	3.5
67.05504	45.4
69.03422	5.8
69.07079	19.4
70.85305	4.6
71.04990	7.9
79.05492	32.7
81.07059	52.7
83.04991	4.7
83.08620	7.9
85.06532	5.5
91.05485	58.5
93.07047	85.7
95.04962	42.3
95.08605	51.1
97.06524	13.1
98.51712	2.5
103.05468	3.7
105.07034	90.8
107.08595	61.4
109.06512	15.4
109.10164	40.5
111.08122	3.9
113.54286	2.1
115.05453	6.2
116.06213	2.7
117.07021	20.7
118.07835	2.4
119.08585	100.0
121.06496	7.7
121.10142	49.7
123.08098	5.7
123.11736	10.8
125.09590	2.7
128.06218	9.6
129.07005	21.6
130.07793	7.6
131.08574	59.9
133.10129	58.8
135.08037	16.9
135.11714	18.6
137.09605	5.7
141.06998	6.0
142.07802	17.6
143.08560	40.0
144.09315	11.2
145.06480	2.7
145.10120	64.3
146.07266	6.6
146.10783	2.3
147.08034	14.4
147.11671	23.3
149.09624	19.8
149.13234	4.6
151.11183	2.3
153.07028	3.4
155.08588	10.4
156.09363	15.2
157.10132	51.1
158.10899	8.6
159.08075	8.8
159.11710	37.7
161.09630	43.4
161.13263	7.7
163.11209	4.9
165.06981	2.9
167.08543	7.1
168.09354	4.9
169.10120	22.9
170.10928	8.5
171.07991	3.5
171.11710	28.5
172.12471	3.6
173.09607	6.8
173.13277	27.9
175.11200	8.4
175.14815	20.0
179.08516	10.2
180.09328	4.3
181.10103	9.4
182.10895	8.1
183.11658	18.8
184.12514	4.4
185.09691	5.1
185.13205	15.9
187.11128	3.2
187.14827	15.7
189.12808	3.0
191.92999	2.2
193.10136	4.8
194.10916	6.7
195.11600	10.1
196.12492	5.5
197.13257	16.3
198.10358	2.4
198.14052	2.4
199.11168	4.3
199.14822	16.2
201.12746	6.4
201.16402	6.9
207.11716	5.1
208.12459	2.7
209.13246	19.0
210.14061	4.7
211.14771	10.9
213.12819	5.5
213.16389	8.5
219.11649	2.4
223.14922	5.7
225.12595	3.4
227.14256	15.9
235.14905	2.4
237.16267	3.9
239.17964	6.1
251.18057	4.2
253.19487	3.3
255.17471	4.1
257.18970	4.5
261.16425	2.4
265.19592	5.9
269.18979	5.2
283.20584	3.8
293.19162	2.9
331.24051	2.9
349.25320	11.4
367.26288	12.0
367.30246	3.0
389.22485	2.2
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
53.03936	9.1
55.01869	25.6
55.05512	63.5
56.96556	6.7
57.03440	28.9
59.04990	3.2
61.02927	4.8
65.03928	5.6
67.05505	98.0
68.05822	4.8
69.03419	13.3
69.07072	46.7
71.04981	12.6
71.08611	2.7
71.61286	3.0
71.61658	4.3
79.05061	5.6
79.05493	79.2
80.05833	2.8
81.03403	8.3
81.07059	100.0
81.73396	3.1
83.04984	29.4
83.08618	35.0
85.02912	8.9
85.06540	7.4
91.05480	63.6
93.03423	3.8
93.07045	72.0
95.04973	42.2
95.08604	55.5
97.02888	6.4
97.06526	28.7
97.10175	18.5
99.04455	9.5
103.05457	4.0
105.07033	53.4
107.04950	18.9
107.08603	52.2
109.06532	17.3
109.10156	38.7
111.04459	16.4
111.08064	13.0
116.98598	3.0
117.07013	21.5
119.08582	39.6
121.06537	10.3
121.10152	32.2
123.08063	11.2
123.11713	12.0
125.09631	15.4
129.06982	13.1
129.70056	3.0
131.08559	33.7
133.06502	4.4
133.10115	37.4
135.08046	12.6
135.11697	18.0
137.05965	4.9
137.09641	8.0
139.11221	3.6
141.07016	5.7
143.08554	10.4
145.06520	7.2
145.10143	31.9
147.08067	7.0
147.11678	22.0
149.09615	28.8
149.13251	9.6
151.11211	4.5
154.07646	3.0
155.08597	4.5
157.06552	4.8
157.10123	6.7
159.08018	3.2
159.11722	14.1
161.09645	4.3
161.13254	10.7
163.11241	25.8
163.12457	4.8
165.09109	3.9
165.12778	7.1
167.08569	5.4
169.10101	5.7
171.10248	3.0
171.11719	5.4
173.13239	7.6
175.11185	5.4
175.14923	5.2
177.12628	5.4
183.11723	7.3
187.11221	5.1
189.11227	9.4
195.08096	3.7
195.11661	7.2
197.13301	8.9
203.03490	4.0
203.06078	2.8
205.12215	3.7
215.14278	5.6
219.11684	2.9
219.17377	3.6
221.04536	3.2
223.13255	27.0
227.07404	3.0
227.12811	4.3
229.19524	3.6
235.16809	4.0
239.17932	8.0
247.20528	5.7
255.13718	3.2
257.19086	11.8
261.10098	3.5
267.06409	4.9
269.10681	4.6
275.20068	80.8
282.05179	4.0
289.09338	3.1
292.19922	3.2
293.21082	16.4
295.09088	3.4
298.04785	9.7
309.07620	4.4
309.20511	4.9
312.45013	3.5
313.07129	12.8
321.22440	3.5
325.07086	5.9
334.08118	3.0
337.07227	9.1
349.21735	11.6
349.23758	13.5
352.09494	13.9
367.11795	99.5
367.22263	64.0
368.11984	15.2
368.23190	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	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01870	3.1
55.05293	0.7
55.05513	6.2
56.96565	1.2
57.03436	6.0
61.02928	1.1
65.03941	1.3
67.05169	1.2
67.05504	15.1
69.03419	1.9
69.07068	8.0
70.27543	1.5
70.27961	1.6
71.04982	1.8
79.05492	13.8
81.03427	1.2
81.07056	20.8
83.04972	2.6
83.08616	3.9
85.02898	1.1
85.06557	1.7
91.05479	14.1
92.99818	0.7
93.06464	1.1
93.07043	16.0
95.04964	5.0
95.08603	14.4
97.02869	0.7
97.06529	3.9
97.10165	1.5
99.08080	0.8
103.05473	0.7
105.07031	15.4
107.04947	3.6
107.08592	9.2
109.06506	5.8
109.10135	4.7
111.08109	1.5
116.98621	0.9
117.07022	5.7
119.08589	11.7
121.06493	3.7
121.10134	7.3
123.08060	2.7
123.11717	1.6
125.09672	0.9
129.07043	3.7
131.07056	1.0
131.08566	10.2
133.06485	1.6
133.10130	10.3
134.03615	1.8
135.08028	1.9
135.11739	3.6
137.05956	1.9
137.09624	1.1
137.13200	0.7
141.06964	1.0
143.08533	3.7
145.06517	1.9
145.10129	8.3
147.08026	1.0
147.11678	5.7
149.09630	5.3
149.13257	1.9
151.03914	0.8
151.11142	2.2
155.08572	1.6
157.06432	1.1
157.10127	2.6
159.08028	1.8
159.11702	8.5
161.09622	1.3
161.13280	2.1
163.11243	3.4
165.12794	0.9
169.10236	0.8
171.11731	2.3
173.13336	4.7
175.11215	2.1
175.14886	1.5
177.12749	1.4
181.06458	0.9
183.11641	1.6
185.13197	3.1
187.11200	1.0
187.14896	0.8
194.02196	1.1
195.11899	0.6
197.13261	1.8
199.11162	0.7
200.04607	0.7
201.05455	1.3
201.12738	0.9
201.16360	1.5
203.03455	2.4
203.14339	2.1
205.15857	1.0
213.16409	1.0
219.13824	1.0
219.17430	5.8
221.04492	3.1
229.19476	1.3
231.06512	0.9
233.15425	0.8
236.06766	1.5
239.07141	0.9
239.17941	3.0
241.05003	1.5
247.20537	1.6
253.04921	0.9
253.08511	1.2
254.05762	0.7
255.13759	0.8
257.19022	7.0
261.09064	0.7
265.05023	1.1
265.08539	0.9
267.06418	2.9
269.08017	0.8
270.05191	1.2
274.70364	0.7
275.20068	36.8
276.20416	1.6
277.08661	1.7
281.05188	0.8
281.08060	4.4
282.05185	1.7
285.09995	0.9
289.08948	0.8
292.07263	0.9
293.21265	3.4
295.06058	2.0
295.09518	1.4
296.06662	0.8
297.07562	2.5
298.04721	9.9
299.05154	0.8
307.06116	0.8
307.09589	1.5
309.07510	6.6
310.04617	2.1
310.07907	1.3
311.05441	0.7
313.07062	13.7
314.07410	1.4
317.08078	1.2
319.06006	0.9
320.06769	1.4
321.07568	0.7
322.04504	1.0
323.05432	1.7
323.09000	0.9
324.06290	1.7
325.07031	4.8
325.10593	1.3
326.07458	0.7
334.08295	2.1
335.09128	1.7
337.07019	12.5
338.07700	4.8
339.08591	0.9
339.12381	1.1
349.10730	1.9
349.23886	13.1
350.10880	0.9
351.08789	1.8
352.09415	15.7
353.09793	2.1
367.11768	100.0
367.23990	6.2
367.28259	17.3
368.12091	13.3
368.24850	1.2
368.29025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Betaenone A
Peak:m/z	Relative Intensity
51.33552	0.9
53.03951	1.6
55.01875	5.3
55.05512	11.3
56.96572	0.9
57.03439	5.1
57.07066	2.8
61.83635	0.9
62.47671	1.1
65.40137	1.0
67.05169	1.8
67.05504	22.7
69.03422	3.1
69.07063	13.8
69.91051	3.1
69.91464	2.6
71.04994	1.8
71.08628	1.8
78.41666	0.9
79.05491	21.5
81.07053	26.8
83.04987	5.0
83.08615	4.5
91.05478	22.8
93.07037	24.1
95.04955	6.6
95.08602	15.0
97.06538	4.1
97.10186	2.3
98.21415	1.2
103.05392	1.0
105.07027	25.7
107.04952	6.8
107.08575	16.0
109.06513	8.7
109.10176	5.8
111.08063	2.4
117.07001	8.2
119.08562	13.3
121.06489	10.6
121.10126	9.3
123.08064	7.7
123.11681	1.6
125.09612	1.3
128.01103	0.9
129.06996	2.9
131.08569	18.0
133.06482	2.7
133.10114	16.3
134.62514	0.9
135.07993	4.7
135.11691	5.6
137.06023	1.5
137.09633	2.3
137.13245	1.4
141.07068	0.9
142.07855	1.0
143.08546	3.3
145.06442	2.0
145.10117	13.3
147.08066	3.9
147.11678	13.6
149.09581	7.0
149.13271	3.3
151.11174	5.5
155.08528	1.5
157.10130	3.6
159.08101	1.3
159.11679	7.5
161.09586	3.4
161.13246	1.9
163.11136	6.6
169.10072	1.7
171.11699	3.1
173.09645	2.6
173.13235	5.8
175.11156	2.8
177.12775	3.2
183.11766	3.1
187.11255	1.8
189.12779	1.5
191.14334	3.0
197.13251	2.0
201.12709	2.0
207.13812	3.5
215.14368	1.1
219.13858	3.1
223.13255	1.0
229.19580	2.9
231.17520	1.3
233.19142	1.7
239.17987	3.6
247.20428	4.6
257.19016	14.3
263.45987	1.1
275.20047	100.0
276.20471	5.0
293.20981	8.1
349.23730	35.0
349.28070	1.8
350.24063	1.3
367.11935	1.7
367.18066	1.2
367.24884	22.2
368.25208	1.2
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
51.42953	1.1
53.03944	3.5
55.01868	6.0
55.05511	21.5
56.96562	2.4
57.03441	14.1
61.77676	1.2
65.03938	1.8
67.05506	46.0
69.03442	1.2
69.06721	2.0
69.07070	31.1
70.54402	1.2
71.04997	3.0
71.43481	1.9
79.05492	36.5
80.54150	1.1
81.03414	2.8
81.07058	100.0
83.04971	4.7
83.08608	10.5
85.06550	3.1
85.30198	1.0
91.05484	28.6
93.07042	24.4
95.04983	8.3
95.08607	28.3
97.06522	10.3
97.10156	2.2
99.08085	3.9
100.62920	1.1
103.05472	1.2
105.07034	28.4
107.04956	5.9
107.08601	16.2
109.06516	14.5
109.10147	10.9
111.08080	4.5
114.70773	1.1
117.07044	6.1
119.08583	18.1
119.48306	1.2
121.06496	2.7
121.10144	13.5
123.04407	1.1
123.08066	6.5
123.11731	8.6
125.09636	3.5
129.06982	3.1
131.08545	9.2
133.10118	13.3
135.08084	2.3
135.11691	4.2
137.09648	2.5
143.08574	2.3
145.10118	10.3
147.08122	1.3
147.11690	21.7
149.09612	7.0
149.13229	7.0
151.11179	3.2
155.08525	1.5
157.10141	3.0
159.11671	7.9
161.13286	3.7
163.11169	6.2
165.12747	6.0
169.10124	1.6
171.11740	1.8
173.09702	1.5
173.11888	1.6
173.13341	4.4
175.11168	2.6
177.12767	2.9
179.14265	2.0
183.11720	2.0
191.14340	1.3
193.12268	1.9
201.12796	1.6
217.60878	1.1
229.19566	1.7
236.57208	1.1
239.17982	1.6
247.20586	3.0
257.19077	3.5
275.20068	28.6
281.08032	1.3
293.21100	5.7
298.04721	1.9
313.07071	2.3
318.27823	1.2
325.07162	2.1
337.07092	2.2
341.13364	1.2
349.23740	5.2
352.09375	3.3
367.11786	20.9
367.24811	28.5
368.11975	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
55.01868	28.0
55.05510	28.5
57.03444	13.9
57.07080	2.8
65.03931	3.8
67.05504	61.2
69.03432	4.4
69.06722	3.0
69.07067	32.7
71.04993	3.8
71.61171	4.3
79.05055	4.3
79.05492	50.3
81.03416	9.4
81.07058	83.5
82.07319	2.2
83.04973	8.4
83.08625	13.0
85.06542	6.0
85.86475	2.7
91.05487	39.2
93.07040	42.0
95.04961	19.9
95.08609	39.4
97.06523	48.3
97.10183	6.4
99.08085	7.6
105.07031	48.8
107.04947	19.5
107.08595	29.1
109.06561	12.6
109.10158	25.4
111.08077	7.0
117.07017	16.2
119.08573	33.8
121.06498	8.1
121.10131	20.3
123.08051	9.8
123.11697	8.1
125.09625	6.6
129.06982	4.2
131.08551	21.5
133.10121	26.1
135.08040	7.3
135.11703	10.2
137.09615	8.5
141.06993	3.6
143.08565	5.9
145.06575	3.1
145.10132	23.5
147.08023	3.1
147.11737	16.3
149.09628	24.9
149.13220	5.1
151.11201	4.4
157.10132	6.8
159.11691	14.9
161.09653	3.6
161.13251	6.7
163.11191	14.6
165.12743	5.3
169.10146	4.9
171.10237	3.8
171.11575	4.5
173.13243	9.8
176.98561	3.1
177.12743	6.4
179.14319	3.9
183.11734	2.7
187.11148	4.8
189.11206	2.6
197.13304	3.7
223.66461	2.3
229.19432	5.9
239.17876	5.1
247.08400	3.0
247.20564	10.6
257.18951	11.3
269.17438	2.9
275.20068	100.0
275.23111	4.9
276.20413	5.2
293.21185	6.4
306.76984	2.8
339.12534	2.7
343.90475	2.4
349.23688	31.4
350.23846	2.5
367.11591	6.8
367.24557	20.8
367.28339	8.6
368.25269	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01624	2.0
55.01874	16.6
55.05511	31.0
56.05841	1.5
56.96547	2.4
57.03433	15.1
57.07063	1.5
65.03946	3.0
67.05505	57.5
68.05805	2.0
69.03429	5.8
69.07066	31.6
69.46888	13.1
71.04979	5.8
74.34912	1.5
79.05493	52.5
80.61763	1.2
81.03413	3.6
81.07058	100.0
82.07378	2.6
83.04965	9.9
83.08620	14.6
85.06524	4.1
85.27746	1.3
91.04903	2.1
91.05480	45.6
93.07040	46.4
95.04976	13.2
95.08614	37.8
95.09230	1.8
97.06526	18.9
97.10165	6.0
99.08070	4.2
99.22650	1.4
103.05453	2.2
105.07032	46.9
106.07354	2.4
107.04964	14.1
107.08594	36.7
108.08923	1.5
109.06532	10.6
109.10155	22.4
111.08083	5.9
117.07018	15.6
119.08585	33.2
121.06495	4.3
121.10135	22.1
123.08030	8.4
123.11702	9.6
125.09634	6.7
129.07008	5.6
131.08578	20.9
133.06464	2.0
133.10138	29.0
135.08086	6.9
135.11710	10.6
137.09615	5.8
137.13283	2.5
139.11209	1.8
141.06975	2.3
142.07881	1.6
143.08546	4.3
145.06494	2.1
145.10114	16.9
147.11684	24.1
149.09613	16.9
149.13303	8.1
151.11156	7.0
155.08556	2.5
157.10152	4.4
159.11700	12.8
160.11914	2.2
161.09605	2.1
161.13275	4.8
163.11172	9.4
165.09142	2.5
165.12811	6.9
169.10139	3.8
171.10245	3.0
171.11723	5.1
173.11899	2.0
173.13283	7.7
173.14670	1.6
175.11240	2.0
175.14806	1.9
177.12752	4.7
183.11702	3.7
187.11090	2.3
189.11211	4.8
195.13727	2.9
197.13272	3.1
201.12726	2.4
215.14259	1.6
215.17891	2.0
227.12756	1.6
229.19537	4.6
233.18997	2.8
235.16811	2.6
239.17882	5.0
247.20570	8.5
251.19992	2.9
257.18991	11.0
269.17517	2.4
275.20074	80.9
276.20456	4.9
292.93304	1.6
293.21124	6.1
349.23734	22.3
367.11847	10.7
367.24783	28.5
368.12384	1.9
368.25589	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
53.49625	1.2
55.01663	1.5
55.01872	16.2
55.05509	33.3
57.03189	1.5
57.03440	20.1
57.07078	1.7
62.72463	1.4
65.03924	2.0
67.05504	62.8
68.03561	1.8
69.03417	3.9
69.06721	2.6
69.07068	34.9
70.37027	6.5
71.04977	7.4
71.41797	1.5
73.02899	1.5
79.05491	56.7
81.03400	6.6
81.07056	100.0
83.04974	10.4
83.08620	13.6
85.02891	1.8
85.06548	3.4
91.05480	39.8
93.07041	44.5
95.04960	12.7
95.08607	43.6
97.02959	1.8
97.06535	22.8
97.10166	10.5
98.21500	1.6
99.08086	3.3
105.07030	45.0
107.04967	9.8
107.07873	2.2
107.08589	39.5
109.06521	12.0
109.10163	21.9
111.04473	1.7
111.08067	8.8
116.98605	1.6
117.07023	13.4
119.08573	34.6
121.06487	7.6
121.10148	19.1
123.08057	6.6
123.11707	8.8
125.09621	11.0
128.06189	1.6
128.34009	1.4
129.07013	5.0
131.08589	16.2
133.10130	23.8
135.08017	7.7
135.11697	9.0
137.09599	6.2
139.11102	1.8
143.08553	3.4
145.06470	2.5
145.10123	18.0
147.11685	20.4
149.09621	18.3
149.13249	5.9
151.07564	1.7
151.11185	5.4
153.06975	1.4
153.09181	1.9
155.08566	4.0
157.10156	4.1
157.16290	1.8
159.11678	14.3
161.09647	2.8
161.13268	5.8
163.11151	10.0
165.12743	4.0
169.10132	3.9
171.10153	7.7
171.11685	4.1
173.13290	7.5
175.11177	3.6
175.14896	1.7
176.57590	1.6
177.12764	4.1
179.14328	2.6
183.11688	3.1
185.13266	3.2
187.14810	3.2
189.11226	5.9
189.12706	1.9
191.14290	2.7
195.13860	1.8
197.13228	2.7
199.14703	1.8
211.14781	1.5
213.16536	1.9
223.13200	1.9
227.12811	3.6
229.19475	3.9
239.17972	4.5
245.13872	2.4
247.20619	6.4
251.20114	2.8
257.18994	9.9
265.21680	3.2
269.17398	4.3
271.91049	1.5
275.20053	59.0
285.16840	2.0
293.21094	7.6
349.23956	16.9
367.11823	5.5
367.25137	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01876	10.2
55.05265	1.3
55.05512	21.0
57.03435	15.5
57.07059	1.8
61.02912	0.9
65.03935	2.5
67.05504	51.8
67.33199	0.8
69.03432	2.4
69.07068	34.8
69.34350	7.0
69.34764	2.1
71.04983	3.2
79.05493	45.1
81.03430	4.3
81.07056	100.0
82.58284	0.9
83.04987	7.6
83.08617	12.0
85.06541	3.4
91.05480	33.5
93.07042	31.8
95.04969	11.8
95.08607	30.8
97.06536	16.8
97.10166	3.0
98.20721	1.7
98.97583	1.0
99.08084	4.2
105.04595	1.1
105.07028	33.7
107.04961	8.0
107.08592	22.9
109.06523	16.2
109.10155	12.4
110.59641	0.8
111.08093	5.3
112.66790	0.8
113.06036	1.4
115.05463	1.0
117.07013	8.3
119.08578	24.5
121.06521	5.9
121.10133	13.4
123.08057	8.2
123.11703	11.0
125.09618	3.7
127.07527	1.5
128.05212	0.8
129.07002	4.0
131.08569	12.6
133.06477	1.6
133.10123	16.5
135.08057	3.7
135.11700	7.9
137.09637	2.6
139.11134	1.0
141.06932	1.4
143.08566	3.5
145.06450	1.1
145.10129	11.1
147.08049	2.1
147.11679	23.6
149.09602	12.9
149.13249	9.4
151.11201	2.4
155.08519	1.7
157.10107	5.4
159.08092	1.5
159.11716	9.7
161.09636	3.0
161.13248	5.2
163.11185	7.8
163.14833	1.8
165.09116	1.3
165.12766	6.6
167.03435	1.9
167.14281	1.1
169.10092	1.3
171.10234	0.9
171.11673	1.9
173.09576	1.2
173.11952	1.2
173.13248	5.2
175.11243	3.1
175.14717	1.2
177.12709	4.4
179.14326	1.5
183.11713	2.7
185.13229	1.3
187.11247	1.1
187.14844	1.8
189.11235	1.9
189.12788	1.6
189.78719	0.9
191.14349	1.2
193.12276	1.9
195.13809	2.5
197.13231	1.5
207.13878	1.2
215.17923	0.9
219.13786	1.7
227.12637	1.3
229.19525	1.6
237.14783	1.1
239.18008	2.6
247.20551	4.2
257.18988	6.0
275.20071	40.1
276.20392	1.7
281.08072	1.3
293.21158	6.4
298.04715	1.6
313.06979	2.4
314.98572	1.1
325.07208	1.8
337.07242	1.2
349.10721	1.1
349.23746	9.4
352.09528	3.0
367.11783	21.7
367.24786	32.4
368.12207	2.6
368.24908	1.6
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
51.02368	1.9
53.03951	3.3
55.01872	30.9
55.05510	39.2
55.11512	1.7
56.96547	2.0
57.03431	14.6
57.07071	3.1
65.03929	2.7
67.05506	63.3
69.03427	5.8
69.07069	43.8
69.98021	4.8
69.98414	3.9
71.04988	5.6
79.05491	60.8
81.03426	6.3
81.07056	58.7
82.24760	1.8
83.04980	12.8
83.08617	18.3
85.02891	2.3
85.06542	4.1
88.56893	1.8
91.05475	41.1
93.07045	48.0
95.04967	23.7
95.08603	44.5
97.06532	40.8
97.10178	16.6
98.20818	2.0
99.04469	4.6
105.07023	39.5
107.04951	20.4
107.08589	50.8
107.09294	3.7
109.06512	10.2
109.10152	23.3
111.04453	7.5
111.08082	6.3
117.07011	20.0
119.08589	30.3
119.09423	1.2
121.06512	8.9
121.10143	22.5
123.08078	6.9
123.11692	10.5
125.09615	18.1
129.07005	5.5
131.08575	19.9
133.06494	2.4
133.10123	27.8
135.08080	7.4
135.11671	10.1
137.02339	2.7
137.09601	5.0
139.11192	2.3
141.06981	3.4
143.08575	5.0
145.06535	2.4
145.10109	25.4
147.08087	3.9
147.11668	19.7
149.09610	42.2
149.13316	5.3
151.11186	6.6
153.09090	3.0
155.08575	3.3
157.10126	4.3
159.11700	17.4
161.09662	4.6
161.13264	6.4
163.11197	21.4
165.12822	2.4
169.10130	4.3
171.10173	8.9
171.11736	5.3
173.11940	2.0
173.13229	9.3
175.11128	3.0
175.14798	2.4
177.12726	6.0
179.14384	2.3
182.61163	1.9
183.11716	5.7
185.13268	2.1
187.11159	2.1
187.14871	2.7
189.11241	13.1
189.12753	2.6
191.44995	1.8
197.13257	3.1
200.37946	1.7
207.13704	2.4
211.21114	1.7
213.16406	2.8
215.17838	2.4
223.13275	10.5
227.12805	7.7
229.19521	5.7
233.18977	2.7
239.17950	6.3
245.13937	5.8
247.20586	8.9
251.20181	3.6
253.18044	2.4
257.19040	15.1
265.21558	3.1
275.20068	100.0
276.20572	2.2
293.21112	10.2
311.22186	2.5
313.07104	2.3
321.24341	2.1
337.07001	2.0
349.23776	29.8
351.00485	1.7
352.09363	3.4
355.67877	2.0
367.11734	17.3
367.24869	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01873	16.4
55.05273	3.6
55.05514	48.3
56.96571	2.7
57.03442	22.4
57.07073	4.3
61.02905	2.8
62.62492	2.1
64.95513	2.2
67.05508	82.2
69.03423	6.7
69.06723	4.0
69.07072	54.1
69.44653	5.6
69.45058	18.6
71.04976	7.2
71.08633	19.5
79.05060	4.6
79.05499	63.5
79.67018	2.3
81.03410	9.1
81.06585	5.1
81.07061	100.0
83.04998	14.9
83.08626	20.8
85.02914	5.0
85.06536	5.3
91.05481	59.9
93.06480	4.0
93.07050	58.5
95.04970	26.0
95.08618	47.8
97.02865	3.2
97.06532	23.2
97.10161	12.1
99.04420	2.8
99.08101	20.4
105.07034	58.6
107.04965	11.7
107.08601	41.2
109.06511	13.2
109.10162	33.1
111.04462	2.5
111.08093	6.5
117.07018	19.3
119.08579	39.7
121.06509	10.0
121.10167	23.3
123.08067	14.9
123.11704	8.6
125.09637	9.6
129.06969	6.0
131.08574	23.7
133.10146	32.8
135.08044	12.7
135.11690	11.3
137.09624	9.4
137.13254	2.7
139.11145	2.7
141.07010	3.8
143.08531	7.0
145.06479	3.4
145.10129	23.1
147.08060	3.1
147.11697	21.7
148.11949	2.4
149.09610	16.4
149.13258	8.5
150.96713	2.3
151.11177	8.0
155.08560	3.4
157.10135	10.3
159.11694	19.0
161.09642	6.8
161.13220	4.6
163.11168	13.7
165.12779	7.5
167.10674	2.8
169.10059	3.6
171.10201	2.8
171.11658	5.9
173.09628	3.5
173.13205	7.0
175.11195	3.9
177.12793	6.4
183.11755	3.7
185.13408	2.6
187.14786	3.5
189.11252	6.8
191.14343	3.0
195.13792	3.4
197.13310	4.4
199.14789	3.4
201.12720	3.7
229.19540	4.9
231.38628	2.3
239.18085	6.2
240.25607	3.0
247.20570	14.3
251.19814	2.5
257.18976	12.2
265.21613	4.0
267.15768	2.3
269.17508	4.4
275.20074	96.4
276.20486	3.9
285.17145	2.6
293.21127	89.6
294.21536	4.5
349.24091	21.3
355.02890	2.6
367.11734	5.8
367.25247	57.3
368.24728	3.3
368.31476	5.2
381.61130	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.3
55.01879	18.5
55.05308	3.5
55.05510	35.5
55.26341	3.0
57.03434	19.0
57.07069	7.8
67.05505	100.0
69.03422	7.7
69.07062	29.0
71.04987	8.5
71.08614	10.0
71.60329	5.0
77.81501	3.5
79.05490	58.1
81.03413	14.5
81.07060	93.4
83.04970	13.7
83.08607	18.3
85.06541	13.2
91.05477	86.6
93.07046	40.1
95.04960	31.6
95.08610	38.0
97.06507	14.2
97.10164	8.3
99.04399	3.3
99.08079	6.0
105.07024	55.6
107.04966	15.8
107.08598	51.1
109.06527	8.4
109.10150	45.9
111.04457	5.2
111.08078	7.1
117.07021	14.1
119.08604	19.6
121.06477	5.6
121.10167	20.4
123.08056	11.4
123.11726	7.9
125.09612	12.0
127.07508	4.0
129.07042	3.9
131.08571	14.7
133.06500	4.4
133.10130	74.7
135.08031	7.8
135.11659	14.0
137.09605	12.7
145.10103	14.7
147.11671	12.5
149.09612	11.1
149.13278	6.4
151.11180	43.2
154.10603	3.4
159.11627	9.3
161.13136	4.3
163.11171	18.8
165.09084	5.0
165.12726	3.7
169.10040	4.6
169.12312	9.4
171.11647	4.1
177.12772	6.2
179.10654	3.9
183.11642	3.5
201.16473	4.1
229.19530	5.0
239.17838	3.8
247.20444	5.7
253.14218	5.7
257.18954	5.9
262.61642	3.7
275.20087	37.3
283.06735	3.3
293.21014	10.7
343.24954	3.8
349.23633	6.0
367.11484	5.0
367.18033	5.5
367.25070	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01873	22.0
55.05264	3.1
55.05512	36.0
56.96558	3.6
57.03439	17.5
57.07074	4.8
61.02918	2.7
65.03932	4.7
67.05503	67.5
69.03411	9.2
69.07067	47.3
69.92028	4.2
69.92439	5.8
71.04992	6.6
77.03973	2.4
79.05492	58.7
81.03408	7.1
81.07056	100.0
83.04981	9.9
83.08613	23.5
85.06531	5.1
86.09705	2.2
91.05479	49.6
93.07048	45.7
95.04965	19.3
95.08611	46.8
97.02862	2.6
97.06533	32.6
97.10158	14.5
99.04467	3.5
99.08090	5.2
104.61520	2.1
105.07025	47.6
107.04970	18.6
107.08598	50.8
109.06522	14.3
109.10155	29.4
111.04393	2.8
111.08053	6.8
117.07004	15.5
119.08582	36.1
121.06536	7.2
121.10127	21.0
123.08056	8.7
123.11709	11.4
125.09621	14.6
129.07024	5.7
131.08586	24.1
133.10135	30.7
135.08038	10.1
135.11688	15.9
137.02301	4.3
137.06058	2.1
137.09579	5.4
139.11119	2.2
141.06975	4.0
142.07813	2.4
143.08589	5.0
145.10112	25.3
147.08032	4.7
147.11710	23.1
149.09612	33.9
149.13284	5.7
150.87283	2.4
150.94627	2.0
151.11211	7.2
153.09064	3.6
157.10176	6.0
159.11725	13.7
161.09627	2.0
161.13255	6.5
163.11226	16.7
165.12779	5.5
169.10147	5.2
171.10149	5.4
171.11661	5.0
173.13231	8.7
177.12761	8.0
179.14310	2.4
183.11749	2.4
185.13304	2.5
187.11134	3.7
187.14798	2.4
189.11295	12.3
189.12671	2.3
191.14250	2.9
197.13255	4.8
201.12863	2.4
205.15907	2.3
213.16399	2.8
223.13338	2.9
227.12790	3.9
229.07373	2.2
229.19569	4.7
231.17540	2.1
233.15430	2.2
233.19125	2.2
239.18021	7.7
245.13928	3.3
247.20619	8.8
251.20119	4.2
257.19055	12.8
275.20053	87.9
293.21048	7.1
311.22226	2.4
337.07089	1.9
337.23584	2.3
349.17099	3.3
349.23837	22.5
367.11853	19.4
367.25006	28.9
368.24493	3.6
385.18900	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01873	16.4
55.05273	3.6
55.05514	48.3
56.96571	2.7
57.03442	22.4
57.07073	4.3
61.02905	2.8
62.62492	2.1
64.95513	2.2
67.05508	82.2
69.03423	6.7
69.06723	4.0
69.07072	54.1
69.44653	5.6
69.45058	18.6
71.04976	7.2
71.08633	19.5
79.05060	4.6
79.05499	63.5
79.67018	2.3
81.03410	9.1
81.06585	5.1
81.07061	100.0
83.04998	14.9
83.08626	20.8
85.02914	5.0
85.06536	5.3
91.05481	59.9
93.06480	4.0
93.07050	58.5
95.04970	26.0
95.08618	47.8
97.02865	3.2
97.06532	23.2
97.10161	12.1
99.04420	2.8
99.08101	20.4
105.07034	58.6
107.04965	11.7
107.08601	41.2
109.06511	13.2
109.10162	33.1
111.04462	2.5
111.08093	6.5
117.07018	19.3
119.08579	39.7
121.06509	10.0
121.10167	23.3
123.08067	14.9
123.11704	8.6
125.09637	9.6
129.06969	6.0
131.08574	23.7
133.10146	32.8
135.08044	12.7
135.11690	11.3
137.09624	9.4
137.13254	2.7
139.11145	2.7
141.07010	3.8
143.08531	7.0
145.06479	3.4
145.10129	23.1
147.08060	3.1
147.11697	21.7
148.11949	2.4
149.09610	16.4
149.13258	8.5
150.96713	2.3
151.11177	8.0
155.08560	3.4
157.10135	10.3
159.11694	19.0
161.09642	6.8
161.13220	4.6
163.11168	13.7
165.12779	7.5
167.10674	2.8
169.10059	3.6
171.10201	2.8
171.11658	5.9
173.09628	3.5
173.13205	7.0
175.11195	3.9
177.12793	6.4
183.11755	3.7
185.13408	2.6
187.14786	3.5
189.11252	6.8
191.14343	3.0
195.13792	3.4
197.13310	4.4
199.14789	3.4
201.12720	3.7
229.19540	4.9
231.38628	2.3
239.18085	6.2
240.25607	3.0
247.20570	14.3
251.19814	2.5
257.18976	12.2
265.21613	4.0
267.15768	2.3
269.17508	4.4
275.20074	96.4
276.20486	3.9
285.17145	2.6
293.21127	89.6
294.21536	4.5
349.24091	21.3
355.02890	2.6
367.11734	5.8
367.25247	57.3
368.24728	3.3
368.31476	5.2
381.61130	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33691	1.0
55.01867	2.1
56.96558	3.0
57.03427	3.2
58.12340	0.8
58.43512	0.9
58.71936	1.0
61.02920	2.4
67.05502	2.0
69.03424	5.8
69.73256	6.2
70.06591	8.0
71.50481	0.9
73.02914	2.5
74.02441	1.1
79.05461	1.3
81.03399	3.1
83.04978	1.6
84.04486	1.6
85.02901	15.1
89.03925	1.3
89.06035	1.1
91.05461	3.1
95.04972	1.8
97.02889	4.3
98.20768	1.9
98.97563	1.8
99.04476	1.1
101.86943	0.9
103.03923	1.1
105.03404	1.1
105.06999	2.2
107.04962	2.1
109.02848	2.6
111.97720	0.9
115.05445	2.9
116.98584	1.6
117.03373	1.8
117.07030	2.3
118.06541	11.5
119.04930	1.7
120.08099	4.9
123.04440	2.7
125.12401	1.2
127.03899	3.6
127.08651	2.2
129.07014	2.2
130.06508	6.5
131.04944	2.7
132.04463	1.6
132.05687	1.7
132.08099	6.8
133.02834	2.2
133.06306	1.9
134.03586	1.1
134.99582	1.6
135.04379	3.9
139.03870	1.8
141.06958	1.3
142.06487	2.1
143.07281	5.0
144.06969	2.0
144.08080	16.6
145.02859	1.8
145.05086	1.5
145.06468	1.6
145.07593	2.9
146.05998	48.2
147.04395	3.6
151.03851	1.5
154.06543	1.3
155.08180	2.0
156.08112	7.4
158.06026	1.1
159.09216	4.0
160.05322	1.4
160.07579	5.0
161.05983	2.8
162.09180	1.1
163.03903	8.5
167.07033	13.7
168.08070	4.3
170.06026	5.0
172.07571	1.5
178.04997	12.8
179.03494	1.9
182.06026	1.4
183.06635	1.7
184.07616	4.9
186.09181	1.2
188.07063	100.0
192.07820	6.2
200.06987	1.1
202.08566	4.6
203.05183	6.8
205.07942	1.8
205.09758	31.5
206.04469	16.5
207.11308	3.0
212.06990	1.6
213.12325	1.7
219.06653	1.3
220.07732	1.3
228.06561	1.6
229.09773	2.3
230.05841	1.8
230.08118	28.9
231.06540	4.5
233.08067	1.5
237.02850	1.3
247.10797	8.8
258.11124	1.6
259.05951	1.4
276.12280	1.3
305.10742	1.0
313.11526	1.0
314.10419	1.1
331.08945	1.4
331.12851	3.1
332.11240	4.7
350.12311	14.0
367.10233	15.9
367.15015	4.2
368.18405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1176
Annotation	Vellokaempferol 3-methyl ether
Peak:m/z	Relative Intensity
55.01875	0.3
55.05502	0.8
57.03418	0.3
65.03922	0.3
67.05503	1.9
69.07066	1.3
70.51309	0.5
70.51640	0.4
71.08616	0.3
71.54110	0.2
74.82143	0.2
75.78910	0.2
79.05488	0.8
81.07039	2.1
83.04973	0.2
83.08591	0.4
89.92580	0.2
91.05472	0.9
91.37387	0.2
92.99777	0.3
93.07034	0.8
95.04917	0.4
95.08614	1.2
97.06536	0.4
98.09673	0.3
99.08080	0.8
105.07012	0.8
107.04978	0.5
107.08589	1.0
109.06489	0.5
109.10146	0.7
111.04446	0.2
117.07012	0.2
119.08574	0.4
121.06555	0.3
121.10146	0.6
123.08057	1.2
133.10104	0.7
134.03622	0.7
135.07982	0.4
137.13145	0.3
139.02730	0.2
144.05649	0.3
145.10144	0.3
149.02333	0.3
151.03943	0.3
153.12784	0.3
156.03618	0.3
159.11597	0.3
161.02357	0.3
163.11115	0.3
171.07874	0.2
177.01881	0.3
177.05489	0.2
179.14336	1.1
189.54225	0.2
194.02104	0.6
195.08006	0.2
200.04677	0.4
201.05484	1.1
203.03395	0.9
207.02859	0.4
208.03662	0.3
217.97379	0.2
218.05698	0.3
219.06284	0.3
221.04419	2.2
225.05461	0.4
235.07567	0.3
236.06856	0.9
237.05455	0.6
241.04997	0.5
250.09804	0.3
251.20142	0.3
253.04979	0.8
253.08672	0.5
254.05766	0.5
255.06618	0.2
261.09140	0.4
263.06952	0.6
265.05017	0.6
265.08508	0.2
267.06525	1.9
268.10739	0.3
269.04642	0.3
269.07986	0.3
270.05258	0.6
275.20087	0.3
277.05246	0.2
277.08655	0.7
278.09393	0.5
279.10034	0.3
281.08087	2.5
282.05264	1.4
285.65494	0.4
289.08734	0.2
291.06567	0.4
292.07251	0.3
293.04477	0.8
293.20978	0.5
295.06049	1.7
295.09680	1.1
296.06723	0.3
296.10254	0.5
297.07538	1.8
298.04712	6.8
299.05203	0.3
300.06128	0.2
301.07050	0.4
303.26672	0.3
306.08752	0.6
307.09470	0.5
309.07550	5.0
310.04727	1.4
310.08038	0.5
311.05515	2.4
311.09128	0.5
311.12637	0.4
313.07043	11.4
314.07382	0.4
317.08072	0.9
319.05988	0.8
320.06769	0.5
321.07596	0.4
321.11087	0.5
322.04901	0.6
323.05499	1.3
323.09207	0.6
324.06250	0.9
324.09915	0.6
325.07056	4.2
325.10715	1.2
331.26392	1.6
333.07529	0.5
334.08334	2.8
335.09146	1.0
336.06299	0.4
337.07050	9.5
337.11133	0.4
338.07809	2.2
339.08582	1.4
339.12296	0.8
349.10715	3.1
349.27350	3.6
351.08505	1.5
352.09393	14.9
353.09671	0.5
366.68408	0.4
367.11758	100.0
368.12128	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	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
53.70088	0.7
54.18441	0.8
55.01872	8.2
55.05507	3.6
55.61539	0.6
56.53968	0.6
57.03433	6.5
60.13921	0.7
60.79022	0.7
61.02928	5.5
64.15150	0.7
68.99782	2.5
69.03432	35.1
69.94840	2.0
69.95275	2.0
71.04359	0.7
71.04997	5.3
73.02921	7.4
79.05491	0.8
81.03417	22.3
83.04995	0.7
83.08620	1.7
85.02906	100.0
86.03253	1.1
87.00832	42.7
91.03967	1.4
91.05508	0.9
95.08595	1.2
97.02892	29.9
99.04463	13.5
103.03965	1.4
105.01868	69.1
108.04486	2.7
109.02883	28.2
111.08107	2.2
113.09669	0.9
115.03919	1.4
116.78672	0.7
117.01862	2.5
123.08090	1.1
126.05531	2.2
127.03918	72.0
128.04294	1.1
129.01823	3.4
135.08055	1.1
136.06184	6.9
139.07565	1.1
141.09113	2.4
145.04961	38.5
145.10149	0.8
147.02895	2.6
151.07565	1.8
159.02892	14.1
177.03986	0.9
189.03951	3.9
191.10681	1.2
209.11749	4.0
213.03973	3.1
231.05000	20.2
248.07600	1.7
249.06097	6.1
249.10188	0.9
269.13916	1.1
295.11850	4.6
313.12918	0.9
339.13501	3.3
366.20618	1.5
367.12573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07610	2.1
52.01093	2.0
53.50187	2.0
55.01873	4.0
55.05502	2.9
56.85783	1.9
56.96547	6.3
57.03425	3.3
57.65728	1.9
62.07094	2.1
63.59194	1.9
65.03925	3.5
67.05507	2.9
69.03435	3.9
69.89851	7.1
69.90260	4.6
70.06595	15.8
73.28259	2.5
78.04717	3.1
79.05511	4.8
81.03424	4.4
83.04995	2.6
84.08121	2.9
85.02898	10.6
87.10011	2.3
89.03935	3.8
91.05492	5.3
95.01376	3.8
95.04964	5.5
97.02889	4.6
105.07040	11.2
107.04971	6.6
109.02844	2.9
110.07098	2.6
111.04481	3.1
113.02339	2.8
115.05470	6.3
117.07018	3.9
119.04974	5.9
120.08095	3.7
121.02864	2.7
123.04430	12.7
127.03884	3.2
127.08659	4.3
131.04930	9.7
131.08557	3.9
132.05721	10.2
133.02858	5.1
133.06487	9.5
134.99646	3.2
135.04428	8.0
136.73672	2.2
137.05986	3.1
139.05547	2.0
141.06967	4.4
145.02876	3.8
145.06462	8.3
147.04427	8.7
149.05984	3.3
151.03963	10.5
152.04701	3.4
155.08153	5.1
156.05742	3.6
157.06502	6.5
160.05185	11.1
161.02376	4.7
161.06009	15.4
163.03894	25.6
165.05499	2.8
167.07045	81.9
167.08446	4.9
169.06567	4.1
171.08148	2.9
172.05081	2.4
173.05934	6.2
175.03851	4.2
175.07538	4.7
177.05515	6.5
178.06297	2.3
179.03397	4.2
181.04921	4.0
187.03966	3.8
187.07597	7.2
188.04654	5.9
188.07085	4.0
189.05521	6.1
190.06181	3.0
191.06967	5.2
192.07814	45.7
193.08577	3.8
199.07605	3.2
200.04726	2.5
201.05492	3.9
203.05286	100.0
205.08469	5.4
207.06538	6.3
212.08153	3.7
213.12337	4.1
214.06096	2.3
215.07008	5.8
216.04259	4.3
216.07741	2.7
217.04979	5.2
217.08600	4.1
219.06543	5.9
221.08107	7.4
229.04915	3.2
229.08485	2.8
231.06564	33.3
233.08011	10.8
243.06400	3.4
245.04439	2.5
245.08110	5.9
247.09598	4.2
249.07657	5.2
259.05951	3.7
261.07507	3.3
275.09131	8.6
287.09149	2.9
289.07162	6.0
293.10236	3.4
305.10397	4.2
367.10226	89.6
368.10495	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	366.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98269	0.2
53.03942	1.1
55.01867	1.3
56.01390	0.2
56.96557	0.2
57.03193	0.2
57.03436	3.1
58.09693	0.2
59.04985	0.4
60.04519	1.7
61.02929	2.2
65.77167	0.2
67.05479	0.4
69.03423	10.1
69.07057	0.3
70.03754	0.2
70.06584	1.8
71.01350	1.1
71.04994	2.8
71.58801	0.2
71.59248	0.3
72.08147	0.3
73.02917	1.3
75.04466	0.5
77.03902	0.2
79.05492	1.4
79.37066	0.2
81.03406	1.6
81.07047	0.5
84.04486	0.3
84.08125	0.8
84.77090	0.2
85.02888	0.4
86.09688	0.8
87.04469	0.4
91.05467	0.8
92.05001	0.2
93.07012	0.3
95.04947	0.4
95.08569	0.2
97.02872	0.5
98.97589	0.4
99.04437	3.0
100.23112	0.2
102.05517	0.2
104.04986	0.6
105.06979	0.2
106.06552	2.9
110.07147	0.3
114.79305	0.2
116.04965	2.9
116.98598	0.5
117.05523	0.9
118.05282	3.1
118.06553	0.5
119.04920	0.6
120.04446	0.3
120.08068	0.6
121.10104	0.2
122.02322	0.3
122.09737	0.2
123.08032	0.2
123.47505	0.2
124.07559	0.5
129.10219	0.4
130.06493	0.4
131.06049	1.6
132.06754	0.4
133.07605	9.2
134.06004	0.8
136.07678	0.2
139.26236	0.2
143.06047	1.3
144.04410	0.3
144.06781	0.8
145.07596	14.8
146.06078	0.2
146.08391	1.0
147.04362	1.7
147.09163	1.6
148.06276	0.7
149.10689	0.2
155.06041	0.3
157.07605	1.6
158.04764	0.5
158.08368	0.6
159.09143	1.1
161.05917	0.3
161.07098	2.6
162.07727	0.2
163.08658	14.1
164.09052	0.5
167.07011	0.2
168.06668	0.3
169.07521	0.4
170.08305	0.6
170.09814	0.2
171.05475	1.3
171.09200	1.2
172.09952	0.3
173.07112	1.1
173.10707	0.6
174.07764	0.3
175.08669	4.1
176.09386	0.7
177.00705	0.3
177.05185	0.3
177.06607	3.0
177.10239	0.4
183.09131	1.1
184.05540	0.2
184.09969	0.5
184.43253	0.2
185.10767	1.0
187.08597	0.4
189.06561	7.5
189.10201	0.8
190.06995	0.2
191.08136	1.3
196.06128	0.2
196.09941	0.2
197.06424	0.4
199.08736	0.4
200.09494	1.5
201.10243	2.6
202.11095	0.4
203.08130	0.7
203.11732	0.6
205.09731	0.5
207.07634	100.0
208.07996	2.5
213.10269	0.9
214.06116	1.3
214.10976	0.3
215.08086	1.1
215.11789	0.7
217.09735	0.7
219.11281	0.4
227.08165	0.2
229.09691	1.4
230.10426	0.5
231.11221	1.1
232.07156	12.7
233.07408	0.4
241.09706	0.6
243.07541	0.2
243.11287	0.4
247.10886	0.5
249.08678	0.2
249.12289	0.9
257.09085	0.3
259.10727	0.3
261.08722	0.3
261.12311	1.3
269.09225	0.7
275.10220	0.6
277.11749	0.3
279.13361	7.3
280.13586	0.2
287.10120	1.4
293.11371	0.3
305.11276	3.1
312.25055	0.2
315.07074	0.2
319.93289	0.2
323.12341	48.6
324.12573	1.9
330.26282	0.4
338.95773	0.2
348.11819	5.1
348.27386	0.7
366.12924	55.0
366.28442	0.7
367.13138	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2685
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
53.03903	0.3
55.01824	0.7
55.05450	2.3
57.03374	1.0
57.07011	1.3
60.29860	0.3
62.42389	0.3
63.52543	0.3
66.25180	0.3
67.05434	3.2
69.03374	0.4
69.07003	3.7
71.04950	0.5
71.08602	0.7
79.05498	2.9
81.07053	4.2
83.08562	1.2
85.06481	1.4
91.05476	2.0
93.07041	3.1
95.04894	1.4
95.08602	3.4
97.06470	0.5
97.10117	0.4
99.08018	0.4
105.07014	1.7
106.85310	0.3
107.04897	1.1
107.08592	2.3
109.05822	0.3
109.06514	2.6
109.10166	1.7
109.10719	0.3
111.04362	1.2
111.08086	0.5
113.05918	1.1
117.06976	0.7
119.08577	1.6
121.06461	0.7
121.10059	1.3
121.44632	0.3
123.04346	0.4
123.08063	6.4
123.11617	0.4
124.08781	0.9
125.05987	0.8
125.09588	0.4
129.45801	0.3
130.14670	0.3
131.08464	0.6
132.28194	0.3
133.10056	1.6
135.08040	2.1
135.11705	0.8
137.05882	1.3
137.09578	0.7
137.13185	0.3
138.06755	0.4
139.07480	0.6
141.38988	0.4
145.10045	1.4
147.11610	1.2
149.09596	0.4
151.07544	3.8
152.08324	3.7
153.12718	0.7
157.10057	0.7
159.11609	0.6
161.09546	1.0
163.11168	0.6
164.08264	0.4
165.09117	14.6
165.12717	0.8
166.09708	1.0
171.11613	0.5
175.11215	0.5
177.09055	1.0
177.12766	0.6
178.09848	0.5
179.10681	1.9
179.14276	0.5
182.94078	0.4
193.12201	1.2
195.13904	0.5
203.05286	0.6
208.14551	1.4
209.15327	0.5
219.13670	0.8
221.15387	2.4
223.13258	0.6
235.16898	0.4
249.18462	1.4
263.19977	0.8
273.18506	1.0
274.03427	0.3
291.19516	3.9
305.24792	4.1
319.26306	5.5
329.24863	0.4
347.25815	46.3
348.26120	1.9
365.10498	1.2
365.26886	100.0
366.27271	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2686
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03930	0.2
55.01867	0.3
55.05508	1.4
57.03434	0.4
57.07074	2.5
67.05511	1.7
69.03422	0.4
69.07069	1.7
70.22119	0.6
71.04979	0.2
79.05488	1.1
80.18463	0.2
81.07059	2.1
83.04978	0.5
83.08607	0.7
85.06527	0.8
91.05472	1.1
93.07047	1.4
95.04967	0.8
95.08607	1.4
97.02955	0.2
97.06534	0.3
97.10159	0.3
99.08099	0.2
105.07028	1.1
107.08592	1.6
109.06522	1.6
109.10152	0.9
111.08037	0.3
117.07011	0.5
119.08553	1.0
121.06515	0.3
121.10174	0.5
123.08076	3.6
123.11725	0.3
124.08855	1.7
124.94183	0.2
125.05977	0.2
125.09641	0.3
129.06981	0.2
131.08568	0.5
133.10115	0.7
135.08026	0.6
135.11668	0.5
137.05977	0.7
137.09622	0.7
138.06767	0.3
139.07526	0.3
143.08562	0.3
145.10130	0.5
147.08022	0.3
147.11697	0.4
149.09630	0.3
151.07538	4.1
151.11195	0.5
152.08325	6.9
157.10124	0.4
159.08170	0.2
159.11742	0.4
160.12152	0.2
161.09593	0.6
161.13289	0.3
165.09108	10.3
166.09924	0.9
175.11263	0.3
177.09135	0.4
177.12735	0.4
179.10674	2.0
181.12271	0.6
183.11774	0.2
185.13319	0.3
193.12296	0.2
194.13029	4.0
195.13577	0.3
203.05290	0.4
207.13797	1.7
213.12755	0.2
221.15417	0.3
223.13228	0.4
235.16913	1.0
249.18530	1.1
263.20087	2.1
273.18506	0.2
277.21689	0.5
291.19522	1.6
319.26208	1.2
347.25830	17.2
348.19589	0.2
348.26205	0.7
365.26877	100.0
366.27200	4.6
382.52563	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
53.67108	3.2
55.01865	4.3
55.05509	25.2
55.14639	3.6
56.61754	3.5
57.07063	5.6
59.04995	3.2
62.52928	4.0
65.03933	3.9
65.41976	3.5
67.05509	46.0
69.03425	7.9
69.07076	26.7
71.04980	3.2
71.60822	5.2
79.05500	35.2
81.07059	40.0
83.04993	6.9
83.08621	9.4
85.06545	7.3
91.05495	39.9
93.07044	44.7
95.04968	46.3
95.08614	43.9
97.06527	9.3
97.10156	6.6
105.07032	56.0
107.04938	6.7
107.08595	34.8
109.06505	15.2
109.10164	24.7
111.08095	3.6
115.05452	4.4
117.07060	19.6
119.08592	55.6
121.06477	6.2
121.10161	24.2
123.08091	9.2
123.11705	3.7
125.09632	4.7
128.06224	9.9
129.06999	13.8
130.07814	7.0
131.08528	25.9
133.06403	4.4
133.10143	27.3
135.08031	16.5
135.11696	10.2
141.07053	5.3
142.07750	20.5
143.08556	47.8
144.09315	7.7
145.10143	39.7
147.08049	9.6
147.11684	10.4
149.09607	4.9
149.13307	4.8
150.51956	3.4
151.11203	3.8
153.06918	4.2
155.08527	15.8
156.09319	16.1
157.10156	57.9
159.08000	4.1
159.11688	38.6
161.09601	12.8
161.13248	7.9
163.11139	6.2
165.07045	5.8
166.07817	5.8
167.08524	8.5
168.09372	4.8
169.10156	19.2
170.10878	13.3
171.11694	29.8
172.12416	4.9
173.09625	12.6
173.13268	9.4
175.11206	6.9
179.08549	12.9
181.10127	17.1
182.10851	6.5
183.11662	27.3
185.04124	5.3
185.13258	55.0
187.11197	13.9
187.14873	16.2
192.09315	4.8
193.10153	14.8
194.10870	10.9
195.11688	26.1
195.13573	5.8
196.12416	8.0
197.13263	18.4
199.11256	6.5
199.14784	8.9
203.05287	7.8
203.14401	4.2
205.10158	3.9
206.10886	9.7
207.11694	19.8
208.12469	9.0
209.13240	25.8
210.13983	5.9
211.11234	6.5
211.14807	11.1
213.12701	9.5
213.16411	3.8
219.11670	8.1
221.13167	17.8
222.13945	6.0
223.13025	6.1
223.14838	14.1
225.12724	4.6
225.16428	4.3
231.11726	4.1
232.12526	5.5
233.13268	10.2
235.14766	11.2
236.15485	4.3
237.16408	14.4
238.17235	4.5
239.14243	4.3
241.15863	6.3
247.14847	8.4
249.16405	15.9
251.18018	10.0
259.14865	5.9
261.16455	6.7
263.17978	14.6
264.18713	4.9
265.15878	5.7
267.17386	4.9
269.19055	6.0
273.16235	6.1
273.18765	5.5
275.17633	4.0
277.15970	5.7
281.19110	6.8
286.55969	4.0
289.19296	6.5
291.19788	32.8
309.18521	5.3
314.20245	5.3
329.22552	6.1
346.35971	4.2
347.23666	35.3
365.10449	29.6
365.24719	100.0
366.25110	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	365.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01875	5.9
55.05513	22.6
55.36254	2.5
56.96566	2.8
57.03432	8.3
57.07056	4.3
59.05004	3.0
61.02937	4.1
65.03936	5.1
66.77760	2.3
67.05503	44.1
69.03423	13.5
69.07071	28.4
71.04971	5.1
71.60517	4.0
79.05492	39.7
81.03426	7.0
81.07050	40.3
83.04980	6.3
83.08627	8.4
84.04617	2.4
85.02920	6.5
85.06544	5.2
91.05473	45.2
91.06004	3.1
93.07054	42.1
95.04967	39.9
95.08594	30.3
97.02895	6.4
97.06545	8.6
97.10162	5.0
103.05489	3.6
105.07027	55.6
105.07688	5.1
107.04974	4.3
107.08595	39.9
109.06555	13.1
109.10142	23.6
111.08078	3.7
115.05466	6.3
117.07018	18.6
119.04971	2.6
119.08582	56.2
121.06548	6.3
121.10139	34.8
123.08127	6.6
123.11723	6.5
125.09647	5.3
128.06210	6.1
129.07022	12.1
130.07832	6.5
131.08566	41.4
133.06494	3.4
133.10115	23.4
135.08083	11.8
135.11740	5.7
141.06995	5.7
142.07797	14.0
143.08585	27.8
144.09366	9.2
145.06494	2.7
145.10130	41.8
147.08066	9.2
147.11699	15.6
149.09654	8.0
149.13292	4.8
151.11148	6.1
153.07022	4.2
154.07816	3.9
155.08600	15.7
156.09314	12.5
157.10139	36.0
158.10951	7.3
159.08096	4.5
159.11679	21.8
161.09605	12.3
161.13309	8.5
163.11188	5.1
165.07007	7.2
166.07771	4.3
167.08588	8.8
168.09267	3.6
169.10138	22.1
170.10922	5.6
171.11696	20.2
173.09659	5.7
173.13260	33.8
173.14505	3.4
175.11197	6.7
177.12784	3.6
179.08546	12.7
181.10144	15.5
182.10974	6.2
183.11690	23.7
184.12576	2.8
185.13261	14.1
187.11195	9.7
187.14755	3.2
189.12822	3.7
191.14334	27.0
192.09351	5.8
193.10072	15.6
194.11011	8.7
195.11679	15.8
196.12495	5.0
197.09593	3.3
197.13313	18.6
199.14888	7.6
201.12883	7.6
203.05367	4.8
205.10193	3.1
206.10905	6.3
207.11694	24.1
208.12524	8.7
209.13242	17.6
210.10393	4.3
210.13918	2.8
211.11345	4.3
211.14844	11.3
213.12743	5.1
215.17528	2.7
217.15921	4.6
219.11702	6.1
220.12521	6.3
221.13335	13.4
223.14931	9.1
225.12825	6.0
225.16455	5.3
227.14407	5.0
229.15895	4.7
231.11682	5.2
233.13318	9.9
234.14095	5.9
235.14912	11.3
236.15877	3.3
237.16490	10.2
239.14458	4.2
243.11584	3.0
246.34355	2.9
247.14903	4.6
249.16518	10.3
251.18120	5.4
253.16028	4.4
255.17523	5.7
261.16376	4.5
263.14349	2.9
263.18042	9.6
265.15970	6.9
267.17584	8.2
269.19116	4.1
273.16141	3.0
273.18649	3.9
277.15964	4.3
277.19449	3.7
281.19067	6.4
282.19766	4.9
291.19760	18.2
297.18530	5.1
307.20523	5.1
309.18445	2.8
329.22659	3.2
337.25293	3.8
347.23608	29.7
365.10336	10.3
365.24789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01872	8.9
55.05515	28.0
56.96568	11.5
57.03441	13.2
57.07095	1.7
61.02923	3.6
65.03950	2.7
67.05508	38.1
69.03432	16.2
69.07070	65.9
71.04986	3.2
71.61219	2.2
72.08160	1.3
73.02915	3.7
79.05493	32.5
81.03419	10.8
81.07060	35.1
83.04989	9.0
83.08622	10.7
85.02916	7.0
85.03358	1.6
91.03969	2.5
91.05484	21.5
93.07050	24.0
94.94419	1.3
95.01357	1.1
95.04965	13.1
95.08607	18.0
97.02896	14.7
97.06518	6.1
97.10182	14.3
98.97628	1.3
99.04476	2.5
101.02402	1.4
103.03948	1.3
103.05473	2.2
105.07040	18.4
107.04961	11.0
107.08596	19.7
109.06520	8.6
109.10194	12.1
110.35750	1.2
111.04436	2.5
111.08086	4.0
117.07027	7.8
119.04996	2.2
119.08588	17.3
121.06502	5.8
121.10151	9.4
123.08065	6.0
123.11762	1.7
125.05949	1.7
125.09627	12.7
129.05486	1.8
129.07033	3.2
131.08588	9.1
133.06511	4.5
133.10147	8.5
134.99629	2.0
135.08083	7.7
135.11685	7.4
137.09634	5.6
138.60594	1.1
139.11244	2.0
143.08539	6.8
145.06609	1.9
145.10133	9.0
147.08032	7.2
147.11659	5.4
149.09618	4.0
149.13304	3.1
153.09143	2.8
157.10139	5.2
159.08066	1.5
159.11739	6.4
161.02946	2.1
161.09628	6.6
163.11217	2.7
165.09155	4.6
171.11563	2.5
173.09622	1.8
173.11703	2.1
175.11227	3.7
177.12701	1.8
183.11679	1.8
185.13304	1.4
189.11270	9.0
193.12341	2.4
195.11853	1.7
195.13760	1.8
203.10884	2.6
205.12224	2.8
211.13203	2.9
217.07448	1.8
223.13266	17.4
227.12886	2.1
227.17839	1.4
232.40631	1.5
235.91719	1.2
243.08890	1.7
245.19017	3.0
249.15021	1.4
255.17599	3.6
263.20093	1.7
267.08936	6.4
273.18484	24.7
284.13470	2.2
285.10068	20.2
286.10489	3.1
291.19540	100.0
292.19940	2.6
347.22137	2.2
350.07990	2.9
365.10291	8.9
365.23279	41.7
365.28018	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2315
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
51.89581	1.4
53.03940	3.3
53.81158	1.3
55.01875	9.7
55.05503	13.7
56.96555	4.3
57.03437	19.1
57.07067	2.5
58.96486	1.1
61.02914	3.7
65.03931	2.2
67.05508	34.4
67.05868	2.1
69.03425	5.3
69.07065	14.6
69.83011	2.8
69.83419	5.7
71.04991	6.4
73.02919	2.8
79.05052	2.5
79.05494	32.7
81.03420	7.5
81.07058	39.9
83.04988	8.6
83.08617	5.0
85.02900	3.4
85.06541	10.5
91.04961	2.5
91.05484	27.1
93.07048	29.3
95.04969	23.5
95.08604	14.7
95.59690	1.2
97.02886	3.8
97.06539	5.5
97.10176	2.0
98.21429	1.4
98.97612	2.0
99.08094	1.6
105.06372	2.2
105.07034	25.0
107.04972	9.9
107.08589	16.8
109.06516	20.0
109.10167	14.1
111.04440	4.4
111.08092	4.2
113.06010	22.6
115.05447	1.8
117.07030	8.1
119.08581	10.2
120.10919	1.4
121.06516	7.2
121.10144	7.9
123.08070	4.1
123.11691	3.1
125.05922	1.4
125.09620	1.7
128.06277	3.1
129.06972	6.2
131.08542	11.2
133.06490	5.6
133.10121	21.7
135.08037	15.0
135.11670	5.8
137.09628	2.6
139.07552	1.6
140.54138	1.1
143.08569	5.1
145.06554	1.7
145.10133	6.8
147.08064	4.7
147.11699	2.3
147.33250	1.4
149.01239	1.5
149.09624	6.6
149.13261	2.1
151.11186	9.8
153.12759	1.3
157.10187	4.8
159.08073	1.8
159.11697	4.6
161.09604	6.3
163.11189	3.0
165.09171	1.7
167.02245	1.9
169.12199	2.0
171.11697	3.5
175.11203	3.7
177.09146	1.7
177.12750	2.2
179.10683	2.1
183.11717	1.5
185.13297	1.9
191.14342	1.3
217.15924	4.2
223.13307	1.7
245.19087	3.7
249.14879	2.0
253.14453	6.4
255.17554	4.0
263.20065	3.4
267.09018	3.2
267.14395	1.5
273.18497	21.0
275.60068	1.3
284.12759	7.1
284.63077	2.2
285.10010	8.4
291.19537	24.7
347.22253	2.8
350.08197	1.3
365.10452	2.9
365.15601	3.3
365.23038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01875	6.6
55.05264	0.9
55.05513	9.1
56.96574	0.8
57.03439	50.4
57.07071	2.8
61.02919	1.1
65.03937	3.7
67.05505	44.2
69.03419	3.3
69.07069	5.9
69.40263	1.9
69.40686	4.7
71.04994	5.0
71.55000	0.8
79.05497	24.4
79.35719	0.7
81.03413	3.9
81.07059	17.9
83.04991	3.3
83.08637	4.4
85.02898	1.5
85.06545	38.9
86.06918	0.8
91.05482	21.9
91.55692	0.7
93.07049	20.0
95.04971	59.0
95.08617	11.6
97.02912	1.6
97.06506	4.4
97.10168	1.6
99.04433	0.8
99.08092	1.1
103.16842	0.7
105.07028	16.1
107.04953	8.1
107.08606	14.1
109.06522	51.8
109.10152	3.7
111.04484	1.2
111.08100	1.7
113.06008	100.0
115.05447	1.4
117.07025	10.6
119.04982	1.2
119.08584	10.7
121.06501	4.0
121.10140	6.3
123.04447	2.8
123.08064	3.1
123.11707	0.9
124.09737	0.8
125.09622	1.2
128.06267	1.6
129.07014	6.2
131.08571	13.5
133.06503	3.5
133.10152	7.1
135.08060	35.6
135.11671	7.1
137.05905	1.2
141.06956	1.3
142.07707	0.8
143.08559	6.3
145.06490	1.2
145.10112	9.7
147.08070	4.8
147.11679	2.4
149.09610	4.4
149.13297	3.0
151.11182	0.8
155.08588	1.7
157.10098	7.0
159.08041	1.9
159.11707	5.3
160.05251	0.8
161.09645	6.0
161.13304	2.2
163.07565	1.2
163.11174	3.0
165.09109	0.9
167.07086	1.6
169.10175	1.7
171.08066	0.9
171.11688	3.0
173.09531	0.9
173.13286	4.0
175.11211	3.8
175.14787	1.1
177.12759	2.4
181.10147	0.9
183.11681	2.2
185.09642	1.3
185.13322	1.9
185.45969	0.7
187.11246	1.1
189.12704	1.3
189.16370	0.9
195.11792	1.7
195.13855	1.1
199.11215	1.6
199.14845	4.0
201.12720	2.2
203.03468	1.4
203.07030	1.2
215.26759	0.7
217.15877	16.0
219.13817	1.4
227.17987	2.0
231.02902	2.6
233.15411	2.1
237.16348	1.3
245.19035	3.5
255.17511	2.7
267.08951	0.9
273.18509	23.0
274.18747	1.3
285.10013	1.5
291.04932	1.5
291.19547	31.7
347.22186	1.4
350.07724	0.8
365.10114	3.5
365.14322	0.7
365.23206	11.3
365.28162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.3
53.37877	0.7
55.01874	6.3
55.05513	26.1
56.96544	1.4
57.03440	9.9
62.34853	0.7
65.03924	0.8
65.98029	0.7
67.05505	29.5
69.03432	11.9
69.07069	42.1
70.86786	1.9
71.04980	1.9
79.05493	25.9
81.03428	5.4
81.07056	21.4
83.04988	4.8
83.08620	9.3
85.02874	1.2
90.84142	0.7
91.04969	1.1
91.05486	15.1
93.07043	15.8
95.04969	8.2
95.08601	11.9
97.02896	16.0
97.06519	3.5
97.10167	15.4
105.07026	8.8
107.04927	6.0
107.07977	1.2
107.08595	14.3
109.02887	0.8
109.06487	2.6
109.10159	9.9
111.04411	0.9
111.08026	1.6
115.05440	0.9
117.07028	7.1
119.04902	1.5
119.08595	9.9
121.06459	3.0
121.10131	5.5
123.08055	4.1
123.11659	1.2
125.09641	14.4
129.06964	1.9
131.06967	0.7
131.08569	7.5
133.06490	2.2
133.10159	5.4
135.08046	5.0
135.11676	2.8
135.61134	0.6
137.09628	3.5
143.08521	2.6
145.06480	1.1
145.10167	4.6
146.02223	0.9
147.08051	3.9
147.11674	3.0
149.09605	1.2
149.13271	1.6
153.09058	1.2
153.12714	0.8
157.10080	2.5
159.11682	3.2
161.09607	3.0
161.13260	1.5
163.11096	2.0
165.09116	2.7
169.10121	1.2
171.11626	1.8
173.11742	1.4
173.13242	0.7
175.11108	1.1
177.12715	2.0
179.10648	1.2
189.11244	7.4
193.12228	1.0
195.13828	1.5
205.12201	2.5
223.13286	29.8
227.12772	1.6
227.17981	0.9
245.19009	2.5
249.14835	1.3
252.57840	0.8
255.17502	1.5
263.20062	1.0
267.09070	1.5
273.18500	14.0
280.53058	0.7
284.12769	6.0
284.62848	1.0
285.10178	3.5
291.19547	100.0
292.19952	1.9
320.07855	0.7
333.87415	0.8
347.22522	1.1
365.16019	1.4
365.23230	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01872	11.7
55.05265	2.3
55.05513	31.6
56.96575	9.8
57.03437	64.0
57.07066	2.0
61.02928	2.7
65.03931	5.0
67.05505	77.2
69.03432	13.1
69.07069	60.6
69.07454	2.3
69.43394	15.3
71.04980	7.1
73.02930	2.0
78.20999	1.6
79.05492	53.8
81.03421	9.4
81.07056	44.4
83.04963	7.3
83.08620	12.1
85.02879	3.3
85.06081	3.2
85.06547	40.6
85.07064	2.2
88.22295	1.6
91.05483	40.5
93.06473	2.9
93.07043	51.5
95.04359	3.7
95.04970	75.5
95.08599	25.5
97.02866	10.4
97.06542	7.8
97.10159	14.3
98.97594	12.4
102.96951	1.5
105.07025	29.7
105.14046	1.8
107.04960	15.6
107.08589	31.5
109.02897	2.1
109.06517	51.4
109.10152	13.3
110.22126	1.6
110.97548	2.3
111.08044	3.2
113.06007	94.9
115.05437	2.3
116.98608	7.6
117.07024	14.6
119.08573	21.1
120.43514	1.7
121.06497	8.7
121.10133	17.2
123.08055	7.4
125.09614	11.3
128.06252	2.2
128.98602	4.9
129.07022	8.1
131.00130	6.5
131.08580	20.7
133.06467	3.4
133.10141	15.1
134.99658	3.6
135.07108	2.6
135.08064	33.9
135.09044	1.4
135.11670	15.7
137.05991	2.2
137.09618	4.2
141.07022	2.0
143.08568	8.9
145.10124	15.2
146.99673	6.0
147.08037	7.3
147.11636	8.2
149.01213	9.5
149.09608	8.1
149.13239	9.2
153.09167	1.9
157.10168	8.3
158.99635	7.7
159.08043	3.1
159.11703	9.0
161.01302	2.1
161.09618	8.6
161.13251	5.2
163.11195	6.3
165.09058	3.8
167.02206	2.8
170.99686	3.2
171.11670	5.2
173.02869	1.9
173.09642	2.4
173.13292	5.7
175.11246	4.1
175.14723	1.8
177.00752	8.9
177.12726	4.1
185.13330	3.5
187.14812	2.2
189.00702	6.1
189.11208	6.2
189.12738	1.9
193.12183	1.9
195.13631	1.9
199.14874	3.8
201.12692	2.0
203.02347	2.1
213.00636	1.8
217.15852	15.5
219.01826	2.7
219.05174	1.8
219.13843	1.6
223.13274	16.8
228.05624	2.4
237.02898	2.7
237.16470	2.0
245.18985	2.6
249.14711	2.2
255.08997	2.4
255.17488	4.1
259.20590	2.3
261.02783	3.2
269.10553	3.4
273.18500	33.6
277.21686	8.7
279.03787	4.3
285.10260	3.9
291.19531	100.0
292.19839	3.6
292.46945	1.7
293.05466	6.4
296.73358	1.7
297.04907	2.0
311.06549	3.4
321.04904	9.9
324.13303	2.7
339.05942	2.6
347.22208	2.3
350.07809	2.1
357.15759	4.0
365.10358	5.2
365.23209	38.7
365.26831	1.6
384.20523	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71324	0.7
53.03930	2.9
55.01875	7.4
55.05513	29.9
56.96558	1.1
57.03201	0.9
57.03439	11.8
57.07080	0.9
59.04978	1.1
61.02905	2.5
64.03117	0.6
65.03937	2.2
67.05507	35.6
69.03084	0.9
69.03429	14.5
69.04813	0.7
69.07069	48.0
69.45970	4.2
69.46391	2.3
71.04965	1.9
73.02902	1.8
79.05493	31.5
81.03422	6.7
81.06584	1.4
81.07056	26.0
83.04982	5.9
83.08618	10.9
85.02902	1.8
85.06554	1.8
86.33533	0.8
91.03925	2.1
91.05479	18.6
93.06485	1.2
93.07047	20.8
95.04441	1.1
95.04975	11.5
95.08620	12.9
97.02302	0.9
97.02894	16.5
97.06535	4.6
97.10173	18.5
103.05457	0.8
105.07033	15.3
107.04955	10.0
107.08598	16.3
109.06529	7.5
109.10142	10.1
111.04485	1.2
111.08069	2.4
115.05441	1.4
117.07018	9.2
119.04937	1.0
119.08585	12.5
120.48725	0.8
121.06491	3.8
121.10145	5.7
123.04417	1.4
123.08095	5.2
125.09645	12.2
128.06227	1.4
129.06981	3.0
130.07759	1.2
131.08569	8.6
133.06494	3.1
133.10152	8.0
135.08041	6.1
135.11667	3.9
137.09660	3.5
139.11206	1.0
143.01820	1.1
143.08560	4.4
145.06436	1.3
145.10130	7.1
147.08054	5.8
147.11702	3.4
149.09607	2.3
149.13245	2.9
151.11142	1.3
153.09105	1.2
157.10118	4.2
159.08076	1.6
159.11703	3.5
161.09610	3.3
161.13242	1.0
163.11185	2.4
165.09138	2.4
169.10167	0.8
171.10262	1.2
171.11717	2.3
173.09569	1.0
175.11211	3.0
177.12761	2.8
179.10817	0.8
187.11241	0.9
189.11217	8.0
189.12717	1.6
193.12222	1.0
195.11768	1.6
195.13760	1.8
199.11230	1.2
203.10912	1.9
205.12262	3.3
213.14688	1.0
223.13293	29.9
227.12767	0.8
227.17923	1.3
245.19032	3.1
249.14874	0.7
255.17453	2.1
263.20068	1.9
273.18500	18.7
284.13803	3.5
284.16547	0.7
284.63739	0.8
285.10150	1.1
291.19547	100.0
292.19724	2.1
346.20459	0.9
347.22229	2.5
365.10110	1.4
365.23233	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	365.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63269	1.8
53.03941	7.0
55.01870	18.9
55.05508	35.1
56.96561	1.9
57.03434	28.8
57.07071	4.3
57.58320	1.9
59.05001	10.4
59.05254	2.3
65.03924	4.4
66.39778	1.7
67.05503	89.3
69.03429	13.4
69.07066	31.0
70.06358	4.8
70.06754	3.8
71.04987	7.4
71.29848	1.7
79.05496	75.2
79.79281	1.7
81.03419	14.3
81.07058	100.0
83.01358	3.4
83.04970	18.6
83.08616	16.4
83.91790	1.8
84.46561	1.7
85.02909	3.0
85.06535	8.7
91.05481	88.3
93.07041	72.6
93.59452	2.1
95.04964	25.7
95.08605	39.2
97.02886	7.8
97.06523	9.7
97.10170	8.7
99.04438	2.2
99.08179	2.1
101.06046	1.9
103.05460	2.2
105.04541	2.3
105.07034	68.1
107.04955	22.1
107.08593	51.5
109.06526	15.1
109.10162	47.4
111.04421	4.8
111.08074	11.6
113.06024	3.3
115.05443	2.4
117.07016	16.5
119.08582	25.9
121.06503	14.9
121.10147	21.0
123.04424	2.9
123.08057	6.4
123.11689	13.0
125.06026	2.5
125.09615	4.7
127.07541	3.3
128.06204	3.0
129.06973	6.6
131.08578	29.4
133.06505	21.8
133.10133	92.7
135.08060	19.8
135.11691	13.2
137.05936	4.4
137.09631	6.6
138.09946	1.9
139.07533	5.5
141.06982	2.2
143.08568	8.5
145.10127	13.2
147.08067	11.4
147.11659	7.5
149.09612	23.6
149.13284	3.4
151.11185	48.6
157.10117	7.9
159.08054	6.6
159.11708	6.4
161.09621	16.3
161.13254	4.1
163.11198	5.8
165.09122	3.2
169.12274	5.0
171.11682	8.2
173.09628	2.1
175.11197	8.0
177.09154	13.2
177.12776	2.4
179.10651	4.3
185.13220	2.7
189.12753	3.1
195.11679	3.3
195.13684	2.5
199.11206	4.0
203.14275	2.3
203.17932	2.8
205.12263	3.1
213.12637	2.2
215.12845	4.5
217.12227	3.5
223.13281	5.5
230.93678	1.8
245.18982	15.1
251.12689	3.0
253.14340	28.7
255.17436	4.3
263.20151	10.3
269.13931	6.2
273.18527	42.3
291.19531	38.1
347.22244	7.7
365.10428	4.9
365.23224	58.3
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
53.00303	1.9
53.03933	3.3
55.01861	6.4
55.05263	1.9
55.05509	23.5
57.03437	13.2
63.57803	1.6
67.05502	33.0
69.03431	16.2
69.07067	60.7
71.04990	2.8
71.60472	2.0
79.05486	23.7
81.03404	5.4
81.07057	26.6
83.04984	4.2
83.08617	9.6
85.06563	4.2
91.05481	14.1
93.07036	19.6
95.04974	12.4
95.08620	12.3
97.02892	15.2
97.06529	3.7
97.10154	12.6
102.63421	1.8
105.07034	11.1
107.04953	5.5
107.08587	14.5
109.06515	9.6
109.10140	9.8
111.04417	2.2
113.05990	9.2
116.16486	1.8
117.06994	4.5
117.12229	1.8
119.08616	9.1
121.06497	2.9
121.10068	4.2
123.08067	3.2
125.09626	12.8
125.47039	1.8
129.06946	2.7
131.08543	5.1
133.06432	1.9
133.10127	4.8
135.08014	5.7
135.11676	3.9
137.09547	2.0
143.08505	3.7
145.10126	5.0
147.08032	4.4
147.11717	3.0
149.09589	2.7
149.13232	3.6
159.11678	5.0
161.09636	3.9
171.11702	2.0
175.11121	2.6
189.11177	6.1
223.13260	27.3
245.19028	2.3
258.90775	1.8
263.20227	2.4
273.18478	12.4
291.19528	100.0
365.23151	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59835	0.8
53.03935	2.5
54.37591	0.8
55.01628	1.0
55.01872	9.6
55.05512	33.7
56.96561	3.3
57.03196	0.8
57.03440	13.0
57.07074	2.3
59.05009	1.1
65.03931	1.9
67.05508	56.3
69.03432	15.7
69.05725	0.9
69.07069	41.7
69.86466	1.7
69.86861	2.7
71.04986	3.9
73.02919	1.0
78.74364	0.9
79.05496	44.1
81.03437	7.8
81.07060	46.5
83.01337	0.8
83.04989	9.5
83.08619	14.0
85.02922	1.2
85.06535	3.5
91.05486	36.7
93.07048	35.4
93.07561	0.9
94.04209	0.9
95.01293	1.3
95.04973	16.9
95.08609	23.1
97.02897	17.3
97.06534	5.2
97.10168	15.7
99.04388	1.0
101.05968	0.8
103.05453	1.4
105.03355	1.1
105.07031	30.7
107.04960	14.3
107.08596	25.8
108.01976	0.8
109.06532	7.1
109.10161	20.8
111.04415	2.4
111.08076	4.6
115.05463	1.8
116.73863	1.0
117.07013	12.9
119.04925	1.7
119.08584	16.7
121.06512	7.0
121.10137	10.5
123.04417	1.7
123.08060	6.2
123.11695	3.1
125.05958	0.8
125.09629	12.2
127.07567	0.9
128.06212	2.4
129.07002	5.3
130.07726	1.1
131.04927	1.7
131.08580	16.1
133.06470	7.8
133.09116	1.3
133.10127	25.9
133.11093	1.7
135.08064	11.3
135.11665	5.2
137.05939	1.5
137.09590	5.1
139.07512	1.4
141.07036	1.2
142.07751	1.3
143.08560	5.7
145.06476	1.8
145.10121	9.8
147.08043	7.4
147.11691	6.6
149.09618	9.7
149.13255	3.3
151.11183	11.9
153.09105	2.4
153.77629	0.8
157.10132	4.5
159.08041	3.4
159.11720	4.2
161.09636	7.7
161.13264	2.9
162.10428	1.2
163.07579	1.6
163.11206	3.9
165.09094	2.6
167.10680	0.9
169.10092	1.0
169.12184	2.3
171.10236	1.5
171.11699	3.5
173.09726	1.2
173.11766	2.0
173.13342	1.9
175.11157	4.0
177.09097	2.5
177.12785	3.3
179.10683	2.0
181.10139	1.3
185.13197	2.2
187.11122	1.3
189.11209	8.0
189.12802	2.3
195.13812	1.6
199.11154	1.0
201.60672	0.9
205.12190	2.7
211.44456	0.9
217.07446	1.2
223.13312	31.5
227.12697	1.8
227.17966	2.5
231.13965	1.2
237.16357	1.0
245.19003	5.7
249.14966	0.9
249.18565	1.1
251.12917	1.1
253.14430	4.6
255.17441	2.3
263.20059	3.1
269.10684	1.0
269.13828	2.4
273.18484	28.5
285.10074	1.8
291.19550	100.0
292.19861	3.2
318.26886	1.0
347.22064	3.5
347.25964	1.6
365.10602	4.0
365.23175	68.2
365.26880	6.4
366.23502	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12720	1.0
53.00297	1.1
53.03936	2.0
55.01873	7.3
55.05513	31.7
57.03440	9.5
59.05005	2.2
65.03944	1.1
67.05506	33.1
69.03432	12.8
69.07069	38.3
69.34348	11.0
71.04967	1.4
73.24656	1.1
79.05070	1.8
79.05496	27.9
81.03442	6.1
81.07053	22.1
83.04975	4.9
83.08618	10.5
85.06535	1.4
91.05488	13.9
92.30693	1.2
93.07043	18.1
95.04963	7.6
95.08615	11.0
97.02903	17.4
97.06519	4.7
97.10165	15.4
105.07016	8.7
107.04944	6.3
107.08597	12.6
109.06503	2.0
109.10143	11.1
111.08074	1.6
117.07018	7.5
119.08578	9.5
121.06502	3.1
121.10165	4.2
122.89704	1.0
123.08104	2.9
125.09647	14.9
129.07007	2.2
131.08531	5.3
133.06473	2.2
133.10117	6.5
135.08046	5.0
135.11700	2.2
137.09647	3.5
143.08543	2.7
145.10167	5.4
147.08066	3.7
147.11665	2.4
149.09627	1.5
149.13237	1.9
153.09114	2.3
157.10149	2.6
159.11694	4.0
161.09616	2.3
163.11159	1.8
165.09122	3.6
169.12265	1.1
171.10287	1.3
171.11661	2.3
175.11137	1.6
177.12817	1.3
185.13312	1.5
189.11232	8.4
189.12743	1.7
195.13817	1.4
205.12234	3.4
211.12985	1.1
223.13281	31.6
227.12798	1.1
227.17953	1.1
245.19058	2.0
255.17418	1.1
263.20142	1.8
273.18427	14.0
291.19550	100.0
292.19717	2.5
305.24808	1.0
365.23212	39.6
388.98343	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01872	8.1
55.05513	32.8
56.96553	4.6
57.03438	15.4
59.04998	2.2
61.02909	1.9
65.03942	1.6
67.05143	1.4
67.05507	40.7
69.03432	12.8
69.07072	54.7
71.04988	3.0
71.42300	2.2
71.42638	1.7
73.02926	1.9
79.05064	2.3
79.05498	30.8
81.03416	9.0
81.06590	2.2
81.07057	35.0
81.55672	1.3
83.04977	7.0
83.08625	10.5
85.02905	2.9
85.06552	3.4
91.05482	23.6
93.07047	28.0
95.04978	11.2
95.08611	16.8
97.02894	17.7
97.06528	8.1
97.10163	20.5
101.02346	1.5
105.07024	18.7
107.04965	10.1
107.08599	19.6
109.06526	8.5
109.10157	12.6
109.64791	1.3
111.04454	2.6
111.08101	4.6
117.07049	7.6
119.04947	1.4
119.08592	12.6
121.06494	4.1
121.10143	6.6
121.24281	1.3
123.08066	6.4
123.11668	2.3
125.09649	15.4
129.07018	3.2
130.07809	1.4
131.08601	7.3
133.06505	4.2
133.10132	11.8
135.08054	5.4
135.11685	5.4
137.09619	4.9
139.11206	1.7
143.08521	3.0
145.10147	5.4
147.08047	6.7
147.11708	4.7
149.09647	4.1
149.13293	4.3
151.11160	2.6
153.09074	2.2
157.10155	4.5
159.08182	1.6
159.11705	5.2
161.09644	3.5
163.11220	3.2
165.09085	2.4
171.10211	2.5
171.11751	3.1
173.09593	1.6
173.11882	1.4
173.13188	1.8
175.11191	3.9
177.12726	2.8
180.09586	1.6
185.30658	1.2
189.11258	8.1
189.12712	1.8
195.13783	3.1
205.12222	2.3
217.27757	1.2
223.13289	21.2
245.18997	3.6
249.14871	2.3
255.17331	1.9
257.10825	2.0
259.12006	2.0
267.15781	1.3
269.10693	2.2
273.18509	21.5
285.10117	4.8
287.11679	2.4
291.19553	100.0
301.13229	1.7
303.11105	1.7
365.10480	6.6
365.23215	47.9
366.23300	2.0
373.17148	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.4
55.01874	13.4
55.05264	2.5
55.05511	42.3
56.96554	8.4
57.03432	19.0
57.07065	3.6
61.02921	5.1
65.03936	1.8
67.05502	60.2
69.03427	15.8
69.07067	64.0
69.53886	13.9
69.92679	1.9
71.01339	1.7
71.04987	4.9
79.05490	48.5
81.03419	12.0
81.06574	3.1
81.07054	57.2
82.07388	1.6
83.04985	10.9
83.08611	17.1
83.85148	1.6
85.02898	3.8
85.06528	3.2
91.05479	37.2
93.07044	34.9
95.01357	2.0
95.04967	18.6
95.08607	25.8
96.10934	1.5
97.02900	17.8
97.06528	12.3
97.10151	19.0
98.21526	2.8
99.04414	2.2
99.08131	2.9
104.18478	1.6
105.07034	29.3
107.04952	17.1
107.08592	30.3
109.02916	2.2
109.06503	7.8
109.10153	22.9
111.04437	2.2
111.08083	5.7
115.05441	3.1
117.07006	10.8
119.08573	22.0
121.06499	4.8
121.10134	11.3
123.04390	2.0
123.08052	7.4
123.11689	4.7
125.06041	2.3
125.09629	19.1
129.06976	8.6
131.08533	16.9
133.06506	9.4
133.10126	19.3
135.04370	1.8
135.08055	11.0
135.11674	7.1
137.09596	4.7
139.07520	1.9
142.07852	1.8
143.08543	5.3
145.10114	10.4
147.08032	7.2
147.11664	3.5
149.09639	10.6
149.13235	5.1
151.11156	6.1
153.09151	2.3
157.10109	4.1
159.08105	2.7
159.11647	5.0
161.09579	8.4
163.11209	3.4
165.09076	3.0
169.10127	2.2
169.12202	1.9
171.10284	2.9
171.11555	3.2
175.11139	7.0
175.12512	1.9
175.14711	1.7
177.09160	2.4
177.12781	3.9
179.10751	1.9
181.10007	1.9
189.11191	12.5
189.12753	3.0
193.12343	2.1
195.13820	4.8
203.05215	2.3
205.12155	2.6
219.04909	1.7
223.13254	24.4
227.17958	2.6
245.19052	3.9
247.14902	1.8
253.14406	2.5
255.17456	3.9
257.10492	2.7
263.19980	4.7
269.10544	3.4
271.13596	1.8
273.18503	31.5
275.11557	2.4
285.10092	6.2
287.11551	2.4
291.19528	100.0
303.11105	2.0
347.22562	4.7
350.08102	1.9
365.10388	14.9
365.23172	69.7
365.33417	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37387	2.7
52.85069	2.5
53.03928	9.2
55.01876	21.2
55.05509	34.6
56.96552	9.2
57.03440	25.3
59.51799	2.9
61.02922	3.7
63.09155	2.7
63.36264	2.3
65.03934	4.0
67.05506	88.5
69.03420	9.6
69.07063	31.7
69.90412	16.5
71.04980	12.2
79.05492	71.9
81.03425	14.9
81.07056	100.0
83.01341	4.6
83.04980	22.9
83.08626	17.6
85.02914	6.2
85.06526	8.0
91.05482	88.4
93.06485	5.1
93.07049	75.3
95.04975	29.5
95.08598	40.8
97.02869	4.4
97.06527	12.3
97.10178	5.7
98.21493	4.0
99.04430	3.7
99.08019	2.8
105.07030	67.0
107.04964	25.8
107.08585	54.7
109.02937	3.0
109.06515	14.3
109.10155	56.9
111.04449	8.1
111.08086	16.7
115.05399	3.7
115.61179	2.5
117.07005	18.8
119.08587	27.7
121.06511	16.6
121.10121	16.8
123.04417	5.5
123.08084	6.4
123.11746	13.4
125.05994	2.7
129.06976	9.7
131.08571	24.7
133.06483	20.2
133.09120	5.1
133.10129	88.1
134.10471	4.6
135.08061	27.5
135.11659	12.9
137.06020	2.8
137.09644	4.8
139.07521	4.6
143.08560	9.3
145.10097	10.3
147.08031	11.6
147.11696	8.8
149.09621	25.6
149.13286	3.9
151.11169	53.7
157.10107	8.1
159.08060	7.9
159.11708	7.3
159.85765	3.1
160.83209	3.4
161.09633	15.5
161.13309	7.0
163.07498	2.7
163.11151	7.1
165.09143	3.6
167.10663	3.3
169.12244	7.8
171.11653	9.5
175.11171	6.2
177.09102	12.6
179.10646	4.8
181.08604	3.1
185.13249	5.8
189.12744	6.6
193.12167	6.4
203.14401	4.4
215.12877	3.2
217.12230	4.0
220.20056	2.8
227.17924	6.0
243.08783	3.2
245.19034	14.4
253.14337	29.1
255.17342	6.8
263.20047	15.6
267.08926	4.3
269.10538	10.1
269.13425	6.1
273.18478	60.1
285.10144	13.5
287.11758	6.5
291.19547	33.4
340.15353	4.4
347.22046	7.7
365.10114	4.7
365.23254	57.9
365.33661	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01867	13.6
55.05269	2.1
55.05517	32.2
56.96571	3.1
57.03435	13.4
59.04990	2.0
60.15544	1.9
61.02914	2.1
62.38280	1.6
67.05507	46.7
69.03438	14.6
69.07073	58.8
69.32743	17.2
71.04993	4.4
73.02921	1.9
79.05076	2.0
79.05499	33.7
81.03419	7.6
81.07059	37.9
83.04979	6.2
83.08625	11.0
85.02928	2.1
85.06538	2.7
88.51357	1.7
91.03983	2.4
91.05483	29.8
93.06480	2.3
93.07049	30.0
95.01329	2.7
95.04969	15.0
95.08612	24.1
97.02910	12.4
97.06510	6.6
97.10165	16.1
103.05454	2.4
105.07045	21.4
107.04968	9.0
107.08602	22.2
109.06505	6.6
109.10152	13.8
111.04498	2.6
111.08076	4.2
113.06012	2.9
115.05509	2.2
116.98692	1.9
117.07051	12.3
119.08598	18.6
121.06505	5.8
121.10160	10.2
123.04420	1.9
123.08108	9.7
123.11710	2.1
125.09638	14.5
128.06207	2.5
129.06995	4.8
131.08557	13.3
133.06512	2.5
133.10121	12.2
135.08052	9.0
135.11691	4.5
136.20180	1.5
137.09624	4.7
142.07832	1.6
143.08554	4.1
145.10143	7.3
147.08031	6.5
147.11703	5.1
149.09602	6.8
149.13260	3.4
151.11272	2.9
153.09181	2.2
155.08517	1.9
157.10078	4.6
159.08078	3.9
159.11691	5.3
161.09613	7.4
163.11179	3.8
169.10118	2.3
171.10252	1.8
171.11740	3.4
173.16277	1.7
175.11209	3.7
177.12779	4.0
187.11163	1.7
189.11324	7.6
189.12866	2.2
189.50406	1.9
193.12196	2.0
195.13756	1.6
205.12300	3.3
217.15929	2.8
223.13318	21.5
227.12915	2.2
243.08948	1.6
245.19011	3.9
255.17552	3.4
263.20090	3.5
269.10748	2.1
273.18484	31.8
285.10141	4.6
291.19565	100.0
315.10318	1.5
327.20016	2.4
333.07520	1.9
347.13132	8.4
347.22107	2.4
365.10556	8.0
365.13898	2.9
365.23206	72.4
365.33313	3.9
366.23648	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62317	0.9
53.03940	2.8
55.01870	7.5
55.05510	27.9
56.96553	2.5
57.03438	10.4
61.02912	1.2
65.03944	1.1
66.63633	1.0
67.05505	30.3
69.03434	10.5
69.07069	39.9
69.07453	1.9
71.04967	2.1
73.68490	0.9
79.05054	1.8
79.05495	26.6
81.03413	4.4
81.07050	18.6
83.04974	4.6
83.08623	9.4
85.02869	1.6
85.06549	1.3
91.05482	14.9
93.07043	18.5
94.04188	1.1
95.04979	9.8
95.08609	13.4
97.02896	17.7
97.06510	3.3
97.10178	14.9
98.21603	2.2
98.97585	1.6
105.07037	9.4
107.04943	7.1
107.08593	13.5
109.06499	3.4
109.10157	10.5
111.04419	1.6
111.08060	3.5
116.98612	1.3
117.07005	6.4
119.08578	13.0
119.31071	1.0
121.06520	2.4
121.10171	5.5
123.08079	3.2
125.09628	13.8
129.07011	3.2
131.08545	5.6
133.06462	2.8
133.10121	6.5
135.08038	4.1
135.11691	3.4
137.09595	2.9
143.08539	3.2
145.10136	4.1
147.07977	4.7
147.11694	3.1
149.01215	1.2
149.09656	1.8
149.13277	2.2
151.11148	1.2
153.09015	1.2
157.10121	2.8
159.11710	3.6
161.09570	3.5
163.11145	2.5
165.09131	2.5
173.11662	1.0
177.00410	1.1
177.12761	3.1
189.11246	6.7
193.12209	1.4
195.13792	2.4
205.12270	3.2
222.87642	0.9
223.13277	31.8
227.12900	1.3
245.19032	1.8
249.14821	1.5
255.17526	1.4
263.20172	2.2
267.09100	1.9
269.10684	1.5
273.18503	14.7
284.12534	4.6
284.63226	1.2
285.10056	6.5
291.19540	100.0
292.19659	1.3
301.13104	1.3
365.15933	1.8
365.23221	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01859	2.7
55.05315	0.7
55.05512	8.8
56.05012	1.4
56.24075	0.9
56.96548	1.7
57.03440	5.5
66.82566	1.1
67.05507	10.9
68.05026	2.2
69.03416	3.3
69.07070	4.9
70.06581	1.3
71.04987	2.3
71.59867	1.1
71.60262	1.0
79.05497	12.8
80.05018	7.7
81.03416	3.4
81.07061	16.5
83.04969	3.2
83.08611	2.7
85.02908	2.0
85.06570	2.0
86.35682	0.8
89.40246	0.8
91.03944	1.0
91.05487	15.0
93.05765	2.0
93.07058	15.7
94.06561	2.1
95.04976	5.2
95.08605	8.4
97.02896	1.7
97.06558	1.6
97.10165	1.5
98.09695	3.1
98.97587	1.0
99.08122	1.0
103.05486	1.3
105.07047	8.9
107.04942	4.1
107.08598	9.9
108.08123	75.8
109.06538	5.6
109.08901	3.8
109.10158	3.2
110.09689	16.4
111.08060	1.1
113.06004	3.7
114.05462	1.1
115.05470	3.6
117.05756	1.7
117.07017	6.4
118.06554	35.9
119.04958	1.2
119.08587	8.4
120.08073	1.6
121.06527	2.2
121.10150	4.1
122.09647	2.8
123.08055	3.3
125.09608	1.1
129.07001	3.1
130.06532	26.7
131.08595	5.2
133.02971	0.9
133.06569	1.1
133.10124	5.0
134.09657	2.6
134.99631	1.2
135.08087	4.5
135.11702	3.4
136.11188	1.3
137.09686	1.1
138.05534	1.1
142.06523	3.7
143.05618	1.5
143.07297	3.7
143.08545	2.7
144.08096	22.0
144.09221	1.4
145.06480	1.1
145.10098	6.1
146.06015	90.7
147.04364	1.6
147.06325	1.7
147.08093	2.3
147.11665	3.7
148.07579	2.3
149.09624	2.7
149.13239	1.7
151.04012	1.1
157.10127	2.4
157.78612	0.9
159.08075	1.7
159.11688	2.3
160.05212	1.4
161.06003	1.7
161.09593	2.7
161.13237	1.4
163.07668	1.0
163.11253	1.4
166.08676	8.7
168.10251	1.5
169.10123	1.3
170.05978	6.8
171.11617	1.9
173.13318	1.5
175.03960	1.1
175.11139	1.6
176.14410	1.4
178.15921	67.8
179.16295	1.3
183.11818	1.0
187.11198	0.9
188.07074	71.2
190.15910	3.7
191.14157	0.9
193.12027	1.4
201.05534	1.5
203.07109	1.3
209.13124	0.9
216.04179	1.6
217.05008	1.5
217.15961	1.3
234.14897	2.4
236.16496	20.3
245.19157	1.4
251.07095	2.2
253.04915	1.3
255.17580	1.8
265.08646	3.1
267.09113	2.3
273.18457	9.6
279.06558	10.1
281.04623	1.1
285.10150	3.6
291.19528	2.8
293.08133	6.7
294.08926	1.6
295.14371	10.8
297.15933	5.4
305.07996	1.6
307.05984	6.5
321.07562	3.0
322.04669	2.9
322.08353	5.7
335.05524	4.0
336.05948	1.3
337.06998	1.5
337.10635	1.9
350.07867	52.0
351.08310	4.3
359.11560	1.2
365.10214	100.0
365.22421	55.2
365.27710	1.8
366.10690	9.7
366.22620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22642	0.8
51.27120	0.7
53.03976	0.9
55.01883	0.7
55.05549	0.8
56.05049	1.8
56.96586	1.6
57.03459	0.8
60.04553	2.3
61.02946	1.5
67.01880	0.9
69.03443	4.2
69.04568	3.7
70.02973	0.9
70.06618	2.2
70.35394	2.7
73.40005	0.8
81.03438	2.2
84.04501	1.7
84.08131	1.4
85.02902	7.5
85.07690	0.8
86.09723	0.9
95.04969	1.1
97.02901	4.6
97.68211	0.7
97.74364	0.7
98.09677	1.4
98.97583	1.5
101.07144	5.1
106.05024	0.8
110.07204	0.9
111.04442	1.3
111.48760	0.7
112.03951	1.6
116.03384	1.2
116.98608	1.7
120.08140	1.1
122.06007	1.0
123.04428	1.1
127.03898	2.2
128.98598	0.9
130.06528	100.0
131.06880	0.8
132.03456	1.2
132.04451	22.5
132.08128	1.4
134.05965	0.9
134.99681	0.8
135.04405	1.0
137.05983	0.9
141.05672	1.1
142.06485	0.9
144.08063	1.6
145.04951	1.2
145.06065	1.4
146.05997	7.0
150.09154	0.8
155.06046	2.7
157.06165	2.6
157.07599	31.1
158.06017	15.8
159.09175	3.5
160.07597	1.2
163.03888	2.3
164.04277	0.9
169.07594	2.4
170.05873	1.3
173.07124	4.8
174.05504	2.6
175.08687	10.6
181.07570	3.1
185.04225	17.6
185.07027	7.7
186.05440	2.8
187.08575	2.4
197.07082	6.3
199.08578	2.9
200.07089	0.8
202.04901	1.0
202.08183	2.3
203.03384	1.5
203.05200	33.5
203.08083	48.1
204.08514	1.0
208.09599	0.9
210.09151	0.9
213.06390	1.1
214.08058	5.0
214.09944	1.1
215.08090	4.5
216.06436	1.9
216.11330	1.3
225.06552	8.6
231.07555	1.8
232.10806	9.4
233.78473	0.7
234.98997	1.3
237.02629	1.5
242.09241	4.2
243.05199	1.6
243.07648	27.7
244.05632	0.8
244.07979	1.6
245.09047	1.2
260.10345	9.5
272.10211	1.2
290.11371	4.3
305.10638	2.5
308.12479	0.7
312.09467	1.2
318.10709	1.1
329.12213	1.7
330.10776	3.9
347.13226	5.3
348.10727	5.2
365.10159	57.2
365.19687	1.7
366.10718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47483	0.8
63.47749	0.7
66.76350	0.7
68.06773	0.7
69.61033	5.6
75.50594	0.7
78.96860	0.7
79.01894	0.8
84.50213	0.8
95.30988	0.8
95.31651	0.8
97.03474	0.8
101.42046	0.7
111.02168	0.8
127.55367	0.9
133.03111	0.7
185.04222	29.5
192.00771	0.8
203.05266	73.8
365.10550	100.0
366.10834	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58849	0.5
58.47254	0.5
69.96552	1.6
69.96974	0.8
98.20799	0.5
119.01864	0.5
147.57933	0.5
177.65417	0.5
184.15845	0.6
185.02556	1.1
185.04219	26.0
203.05267	48.7
219.81244	0.5
228.38936	0.5
236.67142	0.5
245.05116	0.5
365.10565	100.0
366.10742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.60457	0.4
62.70753	0.3
66.62450	0.4
69.52883	2.1
80.63950	0.3
84.95645	0.4
87.71277	0.3
112.96561	0.3
140.51489	0.4
156.25447	0.3
179.21994	0.3
179.44707	0.5
185.04222	25.6
198.14729	0.3
200.54985	0.3
203.05273	51.9
204.05730	0.4
221.06279	0.5
318.10455	0.4
365.10559	100.0
366.10922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1019
Annotation	Cassigerol B
Peak:m/z	Relative Intensity
53.03942	1.0
54.24689	0.7
55.00272	0.7
55.01855	2.0
55.05512	5.3
56.96542	1.9
57.03439	4.2
66.71602	0.7
67.05502	8.0
69.03415	2.2
69.07067	4.7
70.02353	3.9
71.04963	1.6
79.05149	0.6
79.05500	7.2
81.03403	1.8
81.07056	12.1
83.04963	2.9
83.08605	2.3
84.51810	0.7
85.02893	1.8
85.06529	0.9
91.05468	5.9
93.07042	6.6
95.04961	3.8
95.08593	4.9
97.02890	2.3
97.06521	1.5
97.10159	1.9
98.20796	0.7
99.04442	1.0
103.05465	0.8
105.07016	5.7
107.04935	1.5
107.08597	5.2
108.08115	11.4
109.06503	2.8
109.10146	2.7
110.09676	2.3
111.04372	1.0
111.08062	0.9
113.05962	1.0
115.05424	1.5
116.98619	0.9
117.06994	3.1
118.06547	3.8
119.04952	1.5
119.08599	5.6
121.06514	1.7
121.10129	3.1
123.04406	1.0
123.08051	2.9
123.11680	1.1
124.07578	0.7
124.79612	0.8
125.09602	2.0
128.06276	1.5
129.07033	2.0
130.06503	3.8
131.04926	1.0
131.08548	3.1
132.05705	0.9
133.06500	1.3
133.10089	3.0
135.08044	2.7
135.11684	2.6
137.09634	1.0
143.05721	0.9
143.07408	0.9
143.08569	1.5
144.08089	2.8
145.06465	1.3
145.10118	3.8
146.06013	10.0
147.04358	1.0
147.08073	1.7
147.11671	2.0
149.09612	1.5
149.13260	1.1
151.11153	0.7
155.08578	0.8
157.10110	1.6
159.08073	1.6
159.11658	2.1
160.05203	1.0
161.05925	2.2
161.09645	2.5
161.13257	1.6
165.09076	0.9
166.08652	1.1
169.10104	0.8
170.06009	1.4
171.11638	1.1
173.09578	0.8
175.11079	1.7
178.15926	9.9
179.67825	0.8
181.12216	0.8
185.13170	1.3
188.07077	7.2
189.05574	0.9
189.09071	0.7
201.05487	1.4
203.06989	1.4
207.06505	1.0
216.04208	1.5
217.04916	0.9
234.05161	1.5
236.16429	2.8
251.06982	1.5
253.05002	1.3
259.10861	0.7
265.05142	0.8
265.08459	1.3
266.05643	0.7
267.09116	1.0
273.18506	6.7
277.08490	1.0
279.06589	9.3
281.04626	1.2
285.10022	2.2
291.19601	4.2
293.08051	6.6
294.08786	1.8
301.09387	1.0
305.07944	1.4
307.06015	6.7
321.07504	2.1
322.04550	2.1
322.08304	3.5
333.07648	0.7
335.05588	4.4
337.07062	1.0
337.10748	0.8
349.07144	1.4
350.07855	42.5
351.08228	1.4
365.10187	100.0
365.22687	10.3
366.10379	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	365.1022
Annotation	Cassigerol B
Peak:m/z	Relative Intensity
52.02617	0.3
55.01869	0.5
55.05497	0.4
57.03411	0.4
62.30418	0.3
66.31525	0.2
67.05491	0.9
69.03399	0.6
69.07063	0.4
69.89140	1.6
78.04710	0.7
79.05480	1.1
81.03395	0.6
81.07065	1.5
91.05478	2.3
93.07050	1.0
95.04965	0.6
95.08588	0.8
97.06514	0.3
98.27531	0.3
105.03405	0.4
105.07006	0.9
106.04131	0.6
107.04926	0.4
107.08599	0.7
109.10165	0.4
115.05453	0.5
117.06983	0.5
119.08552	0.8
121.06448	0.4
121.10133	0.6
123.08048	0.3
126.58012	0.3
129.06970	0.3
131.04825	0.3
133.10078	0.4
134.03668	0.5
135.11665	0.4
137.06015	0.3
137.09586	0.3
143.08658	0.3
145.06462	0.4
145.10078	0.4
146.03639	0.3
147.04391	0.4
147.11674	0.3
149.09599	0.3
151.03909	0.3
157.06503	0.3
160.05199	0.8
161.05945	0.9
161.09595	0.4
163.07454	0.3
163.11238	0.4
171.04425	0.6
173.05956	0.5
174.06851	0.3
175.03894	0.4
175.07532	0.6
175.11188	0.4
185.05940	0.5
188.04617	0.5
189.05428	0.9
195.08090	0.5
201.05418	1.9
203.03519	0.3
203.06981	1.0
216.04193	2.2
217.05008	1.9
221.09616	0.4
223.07556	0.9
233.06093	0.3
234.05205	0.9
237.05548	0.4
238.09822	0.4
247.07361	0.3
248.08313	1.3
249.09149	1.0
251.06998	1.7
253.04991	1.1
263.07117	0.4
265.05002	0.7
265.08594	2.3
266.05994	0.3
266.09393	1.1
273.18463	0.7
276.07800	0.5
277.08536	1.6
278.05612	0.4
279.06512	9.8
280.07193	0.4
281.04318	0.5
291.19666	0.3
293.08075	5.8
294.05597	0.5
294.08826	1.1
304.07028	0.5
305.08090	1.1
307.06009	8.1
308.06516	0.3
309.03796	0.4
309.11484	0.4
310.19269	0.3
321.07574	2.1
322.04691	2.8
322.08392	4.3
324.06165	0.5
332.06763	0.5
333.07529	0.8
335.05469	4.9
337.06998	1.3
337.10748	0.6
349.07007	2.2
350.07840	50.2
351.08051	1.0
365.10184	100.0
366.10583	2.4
383.87067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
55.05505	0.8
56.96574	0.2
57.03442	0.2
67.05505	1.0
69.03428	0.6
69.07068	0.6
71.60971	0.2
79.05489	0.9
81.03417	4.1
81.07053	1.6
81.23961	0.2
83.04973	0.6
83.08616	1.0
85.02907	0.8
85.06537	0.2
86.06013	0.1
88.49619	0.2
91.05482	2.7
93.07027	0.8
94.04041	0.5
94.06595	0.2
95.04946	1.2
95.08616	0.6
95.96469	0.2
97.02895	0.3
97.06538	0.6
105.07050	1.0
107.04941	0.3
107.08588	0.5
109.06495	0.3
109.10135	0.3
111.08110	0.4
111.59392	0.2
115.05453	0.2
116.03476	0.2
117.07038	0.2
119.03539	1.3
119.07806	0.2
119.08572	0.9
121.10132	0.5
123.08026	0.2
129.07011	0.5
131.08571	0.7
133.10103	0.4
136.06184	100.0
137.04631	1.6
137.06514	0.8
140.07063	0.4
143.05707	0.2
145.10062	0.2
147.11668	0.7
149.09601	0.2
152.05692	0.5
154.07190	0.2
157.10129	0.4
161.06015	0.7
174.07761	1.2
175.11208	0.7
189.05405	0.3
193.12231	1.9
202.10657	0.2
203.07018	0.3
211.13293	2.5
220.11876	0.2
259.09549	0.2
271.05902	0.5
273.13284	0.2
302.17426	0.8
305.46866	0.2
310.16629	0.6
320.18680	0.2
323.12357	0.3
325.59949	0.2
328.17688	0.7
346.18695	1.8
364.19778	29.9
365.20035	1.5
369.42279	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	363.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05502	2.1
56.96566	2.7
61.02938	1.9
67.05493	3.7
69.03433	1.4
69.07066	2.7
70.06601	2.1
71.60974	1.1
71.61426	1.1
79.05488	3.5
81.03377	1.6
81.07074	5.8
83.08619	1.7
85.02917	1.4
91.05489	5.4
93.07040	3.8
95.04997	1.6
97.02868	1.4
97.06518	2.7
105.07043	2.7
107.08575	3.0
109.10169	1.4
110.60968	1.2
119.08562	2.2
121.10183	1.9
133.10152	1.7
147.11760	1.3
153.99365	1.1
167.07433	1.1
183.69861	1.3
257.26889	1.2
267.09073	2.0
275.16193	2.8
279.12256	1.2
285.10074	1.7
293.10355	1.6
301.29251	1.9
317.26672	2.2
363.21417	100.0
363.32922	6.0
364.21783	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	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23631	0.7
53.03922	2.1
55.01864	3.5
55.05479	3.3
55.93510	1.0
56.05019	0.7
56.13247	0.7
56.96537	2.3
57.03415	2.6
57.07050	0.8
61.02922	4.5
67.05469	1.8
69.03432	18.5
69.07066	16.8
70.06607	5.4
71.04981	2.2
71.56568	0.9
71.56895	0.8
72.04490	2.9
72.08118	0.9
73.02911	3.6
74.02110	0.7
74.02441	9.0
79.05481	1.4
81.03415	6.7
81.07030	0.9
82.06561	2.7
83.04959	0.8
84.04494	1.6
84.08135	1.5
85.02905	30.2
86.09713	3.4
87.04436	2.2
89.03908	1.0
90.05559	6.4
91.03925	2.1
93.07016	2.5
95.04947	1.4
95.08596	2.6
96.08083	1.8
97.02378	0.8
97.02892	10.6
98.02388	1.0
98.97550	2.2
99.04430	2.7
104.05013	0.7
109.02879	5.8
111.04410	1.1
111.11713	3.9
112.07541	0.9
112.11220	2.6
113.06019	0.8
116.03420	2.3
116.98604	2.7
122.05983	0.8
123.04429	0.9
124.07538	1.3
127.03922	8.2
133.02800	1.0
134.99629	1.6
135.04378	1.3
138.09206	0.7
138.12779	21.9
142.08626	1.7
145.02838	1.3
145.04973	4.2
145.06494	0.8
146.99696	1.1
147.04430	1.6
153.63701	0.7
156.13832	12.2
161.01262	0.9
162.99242	1.1
163.03911	4.2
167.07130	1.0
170.05804	0.9
174.11285	0.8
177.00708	1.5
184.09758	3.5
184.13332	35.8
185.04231	4.4
199.05954	1.1
201.09354	0.8
202.05141	1.3
202.10828	10.3
202.14377	100.0
203.05266	9.1
203.14726	0.9
217.07056	2.5
219.01747	1.0
220.11836	5.3
223.08049	0.8
234.09703	2.3
234.36989	0.8
237.02780	3.0
305.09174	2.2
323.10144	3.9
364.10333	1.4
364.16003	2.2
364.19690	38.2
365.10645	16.7
365.19916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2142
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
51.94072	0.8
53.03930	0.8
53.07109	0.8
55.01857	0.9
55.05504	2.2
56.96550	2.8
57.03425	0.8
61.02924	1.7
63.48903	0.7
64.36478	0.7
67.05504	2.4
69.03432	1.0
69.07073	1.6
70.06586	0.8
79.05488	2.7
81.03422	1.2
81.07069	4.0
83.05000	1.2
91.05483	2.3
93.07039	2.1
95.04948	1.3
95.08614	2.0
97.02876	1.1
97.06512	2.0
97.10149	0.8
98.16837	0.8
105.07013	1.2
107.08640	1.4
107.72575	0.8
114.37558	0.9
119.08516	0.9
120.17932	0.8
125.09677	1.0
134.99635	0.9
135.11723	0.8
137.05807	1.6
235.13004	1.4
267.09100	1.8
285.10385	0.9
347.15369	1.2
363.21426	100.0
364.21722	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	363.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44760	0.2
55.05506	0.3
56.96542	0.2
60.12292	0.2
67.05499	0.6
69.07048	0.2
69.37299	0.6
69.37730	1.0
69.97800	0.2
71.53619	0.2
79.05482	0.3
81.07059	0.4
85.15723	0.2
87.04469	0.6
91.05492	1.6
93.07060	0.5
94.74342	0.2
95.04966	0.2
95.08596	0.3
97.02879	0.2
98.20723	0.4
103.05463	0.2
105.07053	0.2
107.04968	0.2
107.08584	0.4
109.10191	0.2
115.05453	1.2
115.06181	0.2
117.05735	0.4
117.07027	1.9
118.06544	31.2
119.06844	0.4
119.08582	0.6
119.74963	0.2
120.08060	0.2
121.10146	0.2
130.06567	0.5
132.08092	2.8
133.08881	1.2
134.09663	0.5
135.08090	0.2
141.63965	0.2
142.06517	1.8
143.07323	2.7
144.04445	0.4
144.08084	11.6
145.06505	0.5
145.08406	0.3
146.06010	45.3
146.09630	2.3
147.06357	1.0
147.10429	0.4
149.02330	0.3
155.05997	0.3
160.07603	0.7
162.12802	0.7
163.13123	0.7
167.07013	0.3
170.06017	3.5
176.14349	100.0
177.14699	2.9
181.05009	0.4
188.07068	30.4
189.07364	0.8
204.10367	0.2
216.13797	1.0
234.14865	1.9
248.16486	0.7
249.16759	1.6
252.14407	0.2
264.19492	0.2
265.19885	1.1
271.17017	0.2
285.10159	0.2
289.18164	0.2
316.86096	0.2
363.20673	18.2
363.27155	2.8
364.21027	1.2
384.82895	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	363.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43192	5.7
54.76115	6.5
55.01861	8.9
55.05521	11.3
56.96582	7.3
61.02914	6.1
67.05494	17.4
69.03421	8.6
69.07054	19.4
70.36514	5.7
71.60721	8.5
71.61147	6.6
79.05498	23.3
81.07054	12.1
83.04967	14.9
85.95294	5.7
91.05463	8.5
93.07054	11.2
95.08600	11.4
97.06529	100.0
104.96135	6.4
105.07027	9.7
107.08601	9.9
109.06488	9.9
119.08529	8.1
120.08081	7.0
132.10208	5.7
133.10199	7.2
140.03746	6.0
149.06078	6.8
149.09608	9.3
153.05435	16.6
155.03337	9.9
170.05734	33.2
182.02051	8.8
183.06548	19.6
193.94743	6.1
197.04454	17.7
219.06804	7.0
266.11594	23.1
279.12357	76.5
293.10181	75.5
330.14728	10.3
344.65793	6.2
345.17209	7.4
363.18497	53.0
363.32983	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	363.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75426	8.8
55.51336	10.3
56.96564	17.8
67.05502	14.0
69.07059	15.4
69.44018	100.0
79.05473	15.1
81.07045	19.9
91.05487	23.3
93.07045	28.1
95.08630	14.8
98.21470	18.1
101.56142	11.0
105.07048	11.9
109.10194	12.0
114.34805	11.2
121.10117	13.8
149.02348	21.2
150.02402	12.3
164.02113	26.4
169.01375	32.4
175.03908	29.3
191.02629	24.6
191.10681	17.1
207.01492	13.3
235.89793	12.0
287.04672	13.0
300.05359	15.3
345.24017	26.3
349.17181	17.8
363.25858	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	363.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12360	26.7
55.05508	50.7
56.96560	45.7
57.07067	38.3
64.98158	24.6
67.05489	78.4
68.03321	22.3
69.07058	27.7
71.30733	46.6
79.05481	31.0
81.07044	56.1
83.04992	40.0
91.05453	38.8
93.07062	32.3
95.08612	42.3
97.02917	23.1
97.06516	41.6
107.08624	28.9
109.10224	27.8
112.76975	23.5
117.07009	27.2
119.08575	35.0
121.10143	31.6
135.11703	24.1
137.63466	21.4
149.71748	21.1
157.33423	24.7
177.09271	27.0
177.69398	22.7
217.07114	22.8
250.17226	27.0
255.50432	26.2
261.18460	100.0
278.65405	24.7
291.54187	22.4
293.10126	57.5
349.43848	24.0
359.66913	30.8
363.19086	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	363.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.3
56.96555	3.7
57.38468	3.0
61.02968	2.9
65.03936	2.9
67.05510	6.4
69.03426	7.9
69.07073	10.5
69.41365	14.5
69.41796	12.3
70.06606	14.2
72.08153	3.9
74.89869	2.7
79.05485	5.0
80.05011	2.8
81.03410	7.4
81.07070	9.8
84.08134	5.7
85.02905	7.0
86.09695	7.7
91.05484	4.1
94.06586	25.9
95.04972	6.6
97.02861	3.3
98.20723	5.4
98.97591	3.9
105.07021	4.1
107.04969	3.5
108.08204	3.3
109.02850	4.9
110.06037	7.7
112.07605	5.5
116.04987	4.0
116.98667	3.7
118.06586	3.3
119.04934	3.3
119.08591	3.1
120.04475	7.8
120.08136	8.0
121.02873	5.8
121.06505	3.2
122.06033	78.2
123.04427	5.6
124.07608	4.4
126.36757	2.6
127.03870	4.9
129.10286	2.9
131.08527	2.7
134.99706	4.8
138.05510	3.2
139.03941	3.0
140.07071	100.0
144.04468	12.7
146.05969	17.7
147.04414	5.0
148.03938	17.0
150.05530	7.4
159.11682	3.1
161.05988	4.0
162.05547	18.0
165.05499	3.1
166.05003	9.7
167.07138	4.3
172.03928	57.8
174.05554	7.1
176.07159	3.5
177.00688	3.9
177.05539	5.7
178.08665	9.2
190.05014	63.8
192.06631	5.3
194.08180	6.2
202.10811	3.6
204.06573	84.2
205.06787	2.7
206.08134	22.1
217.05011	4.1
217.13354	3.9
222.07623	39.4
230.31845	2.9
244.09698	21.5
271.04489	3.8
271.07907	2.7
271.10812	8.2
272.09198	7.4
289.11853	43.7
307.12891	65.7
327.13416	4.4
331.12842	22.6
335.09192	6.0
345.10657	3.3
345.14371	13.9
363.08224	14.0
363.15280	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	363.144
Annotation	(3S)-3',7-dihydroxy-2',4',5',8-tetramethoxyisoflavan
Peak:m/z	Relative Intensity
53.03928	2.0
55.01868	2.3
55.05502	3.9
56.96556	2.2
57.03437	2.8
65.03934	2.9
67.05495	4.0
69.03428	2.9
69.07057	2.7
70.24055	3.9
70.24429	1.4
78.04691	1.2
79.05489	11.3
81.03408	1.1
81.07060	5.5
82.04152	1.1
83.04987	2.3
83.08596	1.5
85.02901	4.6
87.04465	1.3
91.05479	11.5
91.65132	0.9
93.03446	1.0
93.07040	4.5
95.04985	5.6
95.08594	4.5
97.02877	1.9
97.06538	4.1
103.05362	1.0
105.03417	1.9
105.07024	3.8
107.04971	7.7
107.08596	3.2
109.02868	2.2
109.06544	5.5
109.10171	2.6
110.03635	1.4
111.04482	1.2
111.08093	1.0
117.07060	1.1
119.04948	16.6
119.08591	3.4
121.02853	2.2
121.06511	2.0
121.10155	1.0
122.03618	1.4
123.04446	3.2
123.08072	1.9
124.05212	2.4
125.05988	10.9
125.09718	1.0
128.06174	1.2
131.04977	0.9
131.08568	2.5
132.86206	1.0
133.02861	3.2
133.06494	1.4
133.10124	1.8
135.08025	2.3
135.11649	1.2
136.05182	3.1
137.05977	16.8
138.03114	5.8
138.06284	2.3
139.03894	2.8
139.07533	3.8
143.08546	1.1
145.10149	1.9
147.04402	18.6
147.11691	1.1
148.05243	1.1
149.02333	5.1
149.05931	1.4
149.09572	0.9
151.03839	1.6
151.07553	5.3
152.04659	4.4
153.05469	100.0
154.06053	4.4
155.03308	0.9
157.10118	1.8
159.11740	1.0
163.03937	2.5
163.07567	1.8
164.04524	1.7
165.05511	3.0
166.05885	1.4
167.03381	1.7
167.07016	8.8
169.02637	2.0
169.10107	1.0
170.05630	1.1
171.11711	1.2
177.05501	3.1
178.06021	2.0
179.07048	37.7
180.07414	1.1
181.04956	8.8
182.05754	25.5
183.06310	3.5
184.07086	1.9
185.07828	1.3
191.07018	2.3
192.07886	1.8
193.05043	1.5
195.06686	1.3
196.07027	1.5
197.08096	80.2
198.08469	12.8
199.09146	2.1
208.07303	2.3
209.04498	4.7
210.08948	1.2
211.09430	2.7
215.14355	2.0
223.09633	8.9
242.68179	0.9
265.19901	1.2
271.16943	2.4
289.17883	2.0
345.09631	1.7
363.10593	4.3
363.14130	3.9
363.17706	1.3
363.21924	2.6
363.27197	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	362.2666
Annotation	U-75302
Peak:m/z	Relative Intensity
56.96553	0.8
61.02926	1.0
67.05500	2.5
69.07062	1.5
70.06577	0.6
73.02905	1.0
77.00930	0.6
79.05477	1.0
81.07040	2.1
85.02917	0.7
91.03915	0.7
91.05469	1.1
93.07018	0.7
95.08616	0.9
97.02895	1.3
109.10173	1.1
136.19858	0.5
173.11775	0.9
201.09766	0.8
229.14362	0.7
231.10767	1.5
257.12418	1.0
269.12589	0.6
333.19046	0.8
351.19867	1.1
362.26627	100.0
363.21692	0.8
363.26920	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.3
57.03435	0.5
67.05483	1.6
68.71310	0.4
69.03413	1.1
69.07049	1.4
70.06557	0.9
70.86156	1.1
79.05494	2.3
80.04996	0.6
81.03395	0.4
81.07063	2.4
81.08255	0.4
82.01799	0.5
83.03249	0.4
83.08624	0.6
84.08122	0.6
87.04465	26.2
91.05453	1.9
91.65050	0.4
93.07039	5.9
95.04978	0.8
95.08556	1.5
97.02915	0.6
97.10131	0.6
98.06017	1.3
105.07010	1.8
107.07365	0.5
107.08579	2.3
108.08128	2.8
109.06526	0.6
110.09616	0.5
116.07013	0.4
117.07005	0.8
119.08582	2.1
120.08110	0.5
122.09586	0.6
123.11570	0.4
125.09628	0.5
127.03848	0.5
131.08543	0.5
133.10059	0.7
134.09628	1.8
135.11676	2.6
136.06120	0.6
136.11227	0.8
146.09608	1.6
147.08047	0.5
147.10379	1.2
148.11179	2.8
149.02310	0.5
149.13162	0.5
160.11217	0.6
161.13255	0.9
162.12779	40.1
164.14212	0.5
166.08624	0.7
167.06947	0.8
176.14346	1.2
177.05493	1.0
178.15956	3.0
181.04892	0.5
184.13452	0.6
188.60258	0.5
193.10947	1.5
194.11726	1.8
196.13324	1.4
206.11786	1.8
220.13292	1.9
221.14059	0.5
222.14844	1.3
234.14877	1.9
235.15500	0.5
239.00333	0.5
240.00385	0.7
248.16457	79.7
249.16827	1.3
250.17981	2.9
264.19580	39.1
271.17023	0.4
276.23187	2.3
292.19086	7.0
362.26895	100.0
363.27069	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	363.1074
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.03933	1.2
55.01876	1.2
55.05512	0.9
57.03442	0.9
57.40311	0.6
60.18074	0.5
65.03939	4.8
65.53510	0.5
67.05506	1.5
68.99791	2.2
69.03431	0.8
69.07065	1.4
70.63752	0.5
70.89904	1.2
70.90260	1.0
79.05499	7.9
81.03401	2.0
81.07047	1.7
82.04184	0.6
82.34473	0.7
83.04982	1.5
85.02912	0.8
87.04470	1.3
89.07244	0.6
90.51549	0.5
91.05470	9.6
93.03387	2.9
93.07051	1.5
95.01324	3.2
95.04539	0.5
95.04975	5.0
95.08595	0.7
97.06553	0.9
103.05505	0.8
105.03400	1.0
105.07034	1.7
107.04955	18.5
107.08626	0.7
108.54251	0.5
109.02927	0.7
109.06506	0.8
110.03664	1.0
111.04466	3.3
111.08134	0.8
117.06989	0.6
119.04936	9.7
119.08519	0.6
121.02863	19.4
121.06496	1.0
121.10147	0.7
122.03623	0.5
123.00807	1.6
123.04409	2.9
123.08072	0.7
124.05202	3.4
125.06004	5.5
127.03944	1.4
131.08591	0.6
133.02837	7.3
133.06490	4.2
133.10085	0.5
135.04468	1.4
137.05975	5.6
138.03140	4.0
139.03882	2.9
140.04662	1.3
145.06517	1.0
145.10129	0.6
147.04411	6.4
148.05176	0.6
149.02341	83.8
150.02837	0.6
151.07545	2.3
152.04738	1.2
153.04308	1.1
153.05481	15.8
154.02470	0.6
155.03410	3.1
155.07005	0.8
157.04906	0.9
161.05954	1.1
162.12822	1.2
163.13098	0.9
164.04662	0.9
165.05472	6.6
166.02628	2.9
167.07042	50.0
168.00563	1.6
168.07533	0.6
169.01279	0.8
169.04997	0.6
175.07610	0.8
177.05527	1.0
178.02625	2.1
179.03461	0.8
179.07027	27.0
180.07823	6.7
181.04956	100.0
182.05383	1.2
183.02885	4.7
183.06577	1.7
186.01634	2.3
187.07593	0.8
191.03403	1.0
193.04962	3.9
194.02110	13.9
195.03003	0.6
197.06079	0.6
199.03911	0.6
200.04642	0.5
201.05441	1.2
207.06512	5.7
209.04454	29.8
210.04855	0.5
215.07045	1.1
228.04288	1.0
229.04904	1.1
233.08102	1.2
243.06641	1.6
245.04559	0.6
246.14508	0.6
248.16498	1.7
249.16814	2.1
253.04990	1.2
259.06140	0.5
261.07544	1.3
264.19540	0.8
265.19946	1.0
269.04602	0.8
271.06079	2.0
273.03879	0.7
275.09058	2.6
289.07227	0.7
289.17746	0.6
303.08615	2.5
315.04950	1.0
317.10309	0.8
330.07446	0.9
331.08133	0.7
335.11319	5.5
345.09589	3.0
362.26898	1.3
363.10742	49.7
363.27063	4.0
364.11069	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25798	0.2
55.01870	0.3
55.93522	0.2
56.05033	0.4
56.96561	0.9
57.03410	0.4
61.02910	0.4
64.99068	0.2
69.03416	2.0
69.87714	1.1
70.06582	0.6
73.02914	0.5
82.06571	0.3
84.02151	0.3
84.08148	0.7
85.02924	1.7
86.09673	0.2
97.02895	12.1
98.20771	0.5
98.97590	1.0
107.04977	0.2
116.98614	0.6
119.01860	0.4
119.03569	0.7
119.04974	0.3
119.07320	0.7
120.02592	0.3
120.07667	0.5
127.03957	0.5
128.98572	0.3
129.10251	0.4
131.00108	0.3
134.05959	0.2
135.04449	0.5
135.06807	0.4
136.06184	100.0
137.04579	1.1
137.06523	0.9
140.05667	0.3
141.04070	1.8
146.99643	0.5
152.07065	0.4
153.06670	0.3
158.99658	0.4
161.01210	0.4
163.03871	2.0
177.00720	0.5
178.05011	0.6
182.03107	0.3
182.04465	1.4
182.11745	0.4
191.03896	0.8
193.03857	0.5
200.05533	0.9
200.07251	0.2
200.12807	0.7
202.24916	0.2
208.08240	0.3
219.01842	0.4
236.07878	0.5
237.02917	0.7
240.07542	0.3
242.09024	0.5
253.10500	0.4
255.12181	0.7
270.13181	0.6
271.11649	0.7
284.10071	0.4
299.11118	0.6
316.13736	2.3
344.13525	0.4
362.08490	2.4
362.14349	1.3
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
55.80215	1.1
56.96564	1.0
58.90769	1.0
62.68450	1.5
69.03371	1.5
69.68116	6.5
69.68525	2.7
72.08130	1.5
84.08147	1.6
85.02887	1.3
86.09702	3.0
91.05540	1.1
98.01070	1.2
116.98659	1.2
124.62193	1.2
135.04443	1.9
163.03967	2.6
165.07002	8.6
166.07802	1.6
167.08617	2.2
169.06462	2.5
178.07811	4.0
179.08572	21.5
181.06506	4.6
181.10052	1.2
182.09616	1.1
183.06490	2.3
183.08057	31.4
189.07040	4.2
191.08618	4.2
193.06261	6.0
194.07259	3.8
195.07970	3.2
197.05933	3.6
199.10883	2.6
200.09200	2.1
207.08054	67.2
209.09657	5.0
210.09146	9.2
211.07567	18.9
217.06482	4.7
219.08093	2.3
221.05910	10.8
223.07506	2.6
224.10728	1.3
234.06859	1.5
234.09142	4.5
235.07539	100.0
236.07953	2.9
237.09044	9.3
238.08690	5.5
239.07030	70.6
240.07365	1.7
252.10196	74.9
253.08455	3.0
262.08395	1.3
263.06949	10.1
267.06427	1.9
280.09677	14.6
281.08069	56.3
284.09167	6.0
297.12335	49.4
298.10696	84.4
300.12375	1.3
308.09052	1.4
309.07648	1.4
315.13397	16.1
326.10211	14.5
327.08670	2.7
343.12885	66.4
343.74344	1.4
344.11380	5.0
361.14059	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	361.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33490	0.3
65.28445	0.3
69.65646	0.9
69.66092	1.0
70.06578	0.5
81.03384	0.3
84.08121	0.5
86.09706	0.5
91.05492	0.9
93.07022	0.3
98.21470	0.5
103.05498	0.4
119.04961	0.9
121.02866	1.0
137.06038	0.3
143.05661	0.3
147.04424	0.7
159.04350	0.3
163.07576	0.3
181.06583	0.3
187.03766	0.4
192.06505	0.4
199.09419	0.8
215.03442	1.2
233.04565	0.6
243.02939	0.9
261.04025	0.3
301.12512	1.2
333.07632	2.1
361.07156	6.7
361.14667	100.0
362.07571	1.0
362.14932	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.8
53.03935	5.6
55.01866	3.6
62.51095	1.8
67.05482	6.6
69.03425	3.1
69.07063	3.0
69.32683	15.3
69.33099	3.5
70.06575	1.9
70.90855	1.6
71.04988	2.1
78.04704	2.3
79.05087	2.6
79.05490	17.1
81.07054	10.3
83.04956	1.8
85.02897	4.0
85.06519	7.0
91.05479	34.2
93.07029	19.5
94.06571	3.2
95.04968	11.2
95.08593	11.2
97.02858	2.1
103.05467	16.1
105.07037	14.9
107.04954	39.1
107.08610	7.1
109.06552	3.7
109.10179	2.7
111.04440	3.1
115.05454	6.6
116.06240	2.4
117.07003	7.6
119.04922	7.1
119.08589	3.5
121.06508	22.9
121.10124	5.4
122.05983	2.3
123.04418	7.7
123.08030	2.6
123.11713	3.5
124.05251	5.1
125.05983	6.1
128.06235	9.8
129.06142	2.9
129.07007	30.9
131.04916	10.7
131.08577	12.6
133.02863	5.0
133.06464	2.6
133.10159	2.9
135.08029	6.6
135.11662	3.6
136.05203	3.1
137.05977	22.0
139.07503	2.8
140.07056	4.6
141.07008	2.2
144.05775	3.0
145.06451	9.2
147.04390	6.2
147.08012	2.8
148.05191	4.3
149.06032	9.8
151.03925	5.6
151.07532	21.3
152.04674	4.0
152.06107	2.6
153.05450	16.7
153.06752	2.9
157.06514	23.7
158.07266	2.8
159.08070	3.8
160.08737	2.0
161.05981	44.7
161.09619	13.0
163.07521	26.4
164.04720	2.3
165.05605	4.0
165.07004	10.6
165.09132	12.3
166.06236	9.9
166.07594	3.4
166.66754	1.8
167.07057	72.5
167.08543	7.0
169.06429	3.0
171.08022	3.7
173.02620	2.1
174.06767	14.2
175.07455	9.0
177.05446	6.4
177.06952	3.0
177.09073	12.3
178.07741	3.6
179.06992	5.7
179.08554	5.2
180.05745	1.9
181.05077	2.9
181.06563	8.3
181.08586	100.0
182.07236	8.3
182.08786	2.5
183.08040	4.0
184.05151	2.3
187.07526	2.8
189.09108	80.8
191.08612	4.4
191.10559	3.7
193.06506	4.0
193.08566	3.8
194.07272	3.5
195.08028	11.9
197.06042	3.8
197.07967	2.3
197.09651	12.3
199.07533	5.5
203.10683	2.4
207.08046	5.4
207.10133	15.9
208.05226	2.0
208.08800	4.4
209.05959	2.7
209.09639	2.3
210.06732	8.2
211.07530	6.7
212.08281	3.0
213.08961	1.9
214.03923	3.2
219.08038	8.2
221.05978	6.8
221.09538	1.8
222.06900	3.7
223.07553	9.5
223.11237	5.1
225.05536	3.7
225.09074	22.5
226.06232	2.1
227.06955	8.8
229.12273	4.2
235.07434	5.9
236.08334	6.7
237.09050	4.0
238.06232	3.6
239.06979	6.7
239.10646	4.6
240.07782	6.9
241.08609	6.8
242.09441	2.9
243.10181	2.0
247.07458	4.5
250.06230	1.9
251.06950	5.6
251.10760	6.0
253.05103	2.2
253.08493	12.1
254.09413	4.1
255.06580	4.3
255.10214	6.5
257.07990	3.8
257.11792	16.2
265.08722	3.4
267.10199	3.4
268.07419	4.1
269.08078	3.9
270.08911	5.4
271.13315	2.9
279.10150	8.0
281.08060	2.4
283.09656	13.7
283.13275	11.1
285.08118	4.2
285.11194	41.1
286.12149	2.3
296.10355	3.5
297.11206	5.2
299.09418	3.4
299.12616	4.3
302.11383	5.8
311.12814	9.7
315.12265	20.9
317.13828	17.6
329.13818	2.5
343.15369	10.0
345.10715	3.8
361.09164	3.3
361.16425	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	361.0923
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
52.03164	0.4
53.03943	0.6
55.01876	0.8
55.05503	1.3
56.96570	0.6
57.03442	0.7
57.07073	0.6
57.19131	0.3
65.03945	0.5
67.01873	0.8
67.05506	2.5
68.99793	2.1
69.03421	1.4
69.07076	2.2
71.04979	0.6
71.60580	0.3
71.60995	0.6
72.08147	0.3
73.02929	0.4
79.01845	0.4
79.05494	2.2
80.02669	0.4
80.66510	0.4
81.03427	0.8
81.07059	6.4
83.04952	0.8
83.08618	0.8
84.02058	0.3
85.02922	0.5
85.06560	2.0
87.04501	0.5
91.05484	3.2
93.07049	3.7
95.04980	1.4
95.08614	4.5
97.06525	0.5
97.10160	0.5
98.03663	0.7
99.04479	0.4
99.08092	0.4
99.96158	0.3
103.05432	0.4
105.07040	3.0
107.04966	1.6
107.08601	2.9
108.02100	3.4
109.02878	1.0
109.06534	0.4
109.10156	2.2
111.04482	0.4
113.61039	0.3
117.07044	0.7
119.04942	1.2
119.08579	1.3
121.06503	1.3
121.10125	1.8
123.04478	0.6
123.11715	1.3
124.07639	0.4
125.09624	0.5
128.06293	0.3
129.07014	1.1
131.04918	0.7
131.08591	1.2
133.02855	0.6
133.06500	0.6
133.10132	1.2
134.99786	0.4
135.04454	0.8
135.08078	0.7
135.11697	0.9
136.01590	2.9
137.02333	0.6
137.05969	1.4
137.09599	0.4
137.13255	0.7
139.00304	1.3
139.03815	0.3
139.07530	0.5
141.07016	0.6
142.07770	0.4
145.06529	0.6
145.10149	0.7
146.03590	0.4
147.04425	5.1
147.11697	1.0
149.02359	8.3
149.05971	0.7
149.13237	0.8
150.03082	0.8
151.03874	0.8
151.07545	0.9
153.01825	1.7
153.05498	3.9
154.02623	16.5
157.06502	0.9
159.04449	0.6
159.11679	0.8
161.06003	2.0
161.09633	0.4
161.13525	0.3
163.03874	0.4
163.07542	0.9
163.14813	0.7
164.04701	14.5
165.05405	1.3
165.06891	0.6
165.09123	0.5
167.07048	3.5
169.06474	0.4
170.07251	0.4
171.02905	0.6
175.07547	0.7
177.05562	0.6
177.09175	0.6
177.16414	0.4
179.07031	0.7
181.05046	0.7
181.06958	0.5
181.08580	3.1
181.10040	0.6
182.02107	15.6
182.07246	0.5
183.02902	12.1
183.04515	0.8
184.03229	0.6
186.01607	0.5
187.03958	0.5
189.09059	2.4
193.08635	0.4
195.06435	0.4
195.08102	0.6
197.04477	3.2
197.05978	0.5
197.08064	0.3
198.06779	1.3
199.02382	1.5
199.41351	0.4
200.03168	17.4
201.05511	1.0
204.04234	0.8
205.04993	1.4
207.06506	0.9
207.10220	0.7
211.07567	0.5
212.04729	0.5
212.08197	0.4
213.05542	0.7
226.06306	2.3
229.04974	2.1
233.04419	0.4
239.03452	0.9
243.06554	0.7
244.07343	1.3
253.08731	0.4
254.05772	2.4
255.06421	0.7
257.04471	2.6
257.11578	0.4
268.03732	0.4
271.05905	0.8
272.06854	2.6
282.05258	4.5
283.05881	0.5
283.09378	0.5
285.03983	1.3
285.11212	1.3
289.25378	0.6
299.05563	0.9
300.06287	5.5
300.09448	0.6
301.06955	0.4
310.04773	3.0
311.05545	0.6
313.03439	0.8
315.05255	0.5
315.12094	0.8
317.06604	0.7
317.14059	0.4
327.04742	0.4
328.05807	12.0
329.06384	0.6
331.04468	0.8
343.08121	0.8
345.06137	0.9
346.06854	11.8
361.09195	100.0
362.09552	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66485	4.2
50.72970	4.4
55.01868	6.5
55.05508	26.6
55.67638	4.2
56.96555	5.6
57.07048	5.3
66.62154	4.7
67.05508	75.4
69.07069	15.9
70.15132	24.3
71.05008	6.3
73.37813	4.9
79.05499	22.4
81.07058	29.0
83.04990	5.3
83.08623	14.1
85.06546	6.0
91.05503	19.0
93.07038	18.7
95.04970	4.5
95.08613	19.9
97.10164	22.1
98.21447	6.0
105.07051	17.7
107.08600	33.4
109.10164	79.8
117.07030	4.7
119.08588	13.1
121.10110	8.2
125.09666	23.3
131.08592	7.8
133.10089	7.8
135.08119	4.7
137.09586	5.4
145.10097	12.1
147.11696	10.7
155.10641	12.1
173.11752	100.0
173.13208	10.5
183.60660	4.9
187.13327	53.9
203.12759	15.3
257.18872	5.5
269.30988	4.5
269.99249	5.3
275.20105	28.0
289.21545	6.5
351.28534	5.0
360.07999	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	361.0918
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01861	0.4
55.05502	0.3
56.96534	0.3
57.03423	0.4
65.86891	0.3
67.05471	0.3
68.99430	0.5
68.99787	4.8
69.03415	0.7
69.90038	1.8
70.09026	0.3
74.29943	0.3
79.05468	0.6
81.03387	0.3
81.07033	0.5
91.05457	1.3
93.07009	0.5
95.04938	0.4
95.08595	0.8
97.30248	0.3
102.73721	0.3
107.04980	0.6
107.08571	0.5
109.99830	0.4
119.04922	1.3
121.02892	0.5
121.10120	0.4
125.02296	0.5
129.07022	0.5
133.02841	1.7
135.04411	1.1
137.05966	0.5
139.00227	1.9
145.06372	0.4
145.10121	0.5
147.04404	2.8
149.02341	5.8
150.03043	1.0
153.01843	5.1
153.05441	1.1
154.02565	0.9
157.10098	0.5
157.83661	0.3
161.05922	1.0
163.03941	1.9
164.04684	11.3
165.05489	2.8
166.99782	1.0
167.03432	1.1
167.07008	0.6
168.00531	0.8
169.01318	5.9
175.03854	0.6
177.05449	3.2
178.06195	1.6
179.03374	0.9
179.07053	4.7
179.59821	0.3
181.08556	0.4
182.02097	5.4
183.02916	7.9
185.00813	8.4
185.06024	0.3
186.01555	1.8
189.05396	0.4
191.03354	0.4
192.88953	0.3
193.05022	1.2
200.03145	2.1
205.05032	0.6
213.05510	0.8
215.03418	0.6
221.04454	2.1
229.04938	1.0
230.05730	0.3
232.03578	0.3
233.04413	0.4
239.03540	0.5
242.05826	0.4
243.02942	1.3
245.48689	0.3
247.51401	0.3
255.02867	0.4
257.04532	1.0
258.05194	0.9
259.05917	0.5
261.03912	1.2
270.05185	3.5
271.02338	1.7
271.05304	0.4
273.07584	0.4
274.04733	0.8
275.05545	0.6
283.02304	0.3
283.06003	0.5
285.03931	4.7
285.10965	0.4
286.04709	2.4
287.05347	0.7
297.03885	0.4
298.04672	0.8
299.01910	0.7
299.05502	1.1
300.02621	3.4
300.06296	1.4
301.07092	3.6
303.04919	2.0
304.70670	0.3
310.04770	0.8
311.05484	0.4
313.03415	3.7
314.04099	4.1
315.04965	9.4
316.02167	0.9
327.04999	0.9
328.05722	6.1
329.06503	3.5
331.04453	8.6
332.04794	0.4
345.06079	0.8
346.06824	13.8
347.07056	0.6
361.09164	100.0
362.09464	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	360.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	20.1
55.05522	50.4
56.96552	15.7
67.05503	88.3
69.07066	31.0
71.04989	86.5
71.27460	21.4
71.39286	10.5
74.76012	9.4
79.05489	78.3
79.37650	12.5
81.07059	61.2
83.08622	21.2
85.02917	16.9
85.06534	17.8
91.05480	50.3
93.07059	100.0
95.04965	19.0
95.08607	31.9
97.06563	19.3
97.10161	29.8
105.07038	43.8
107.08585	72.7
109.10158	71.5
111.08128	10.4
119.08572	18.3
120.08075	15.1
121.06504	12.0
121.10130	93.5
125.09625	33.9
131.08630	14.6
133.10132	18.6
135.11647	11.3
136.88222	11.0
137.06018	9.7
145.10135	12.8
153.12703	49.5
155.10670	11.9
165.58612	11.3
173.11746	86.5
177.05621	12.0
178.36293	10.8
189.11243	38.7
267.15778	12.1
275.20044	40.4
318.30457	9.8
360.15656	14.6
360.25720	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	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.7
57.03429	7.3
61.02927	7.9
66.30717	3.3
68.66837	3.2
69.03430	38.9
70.06806	19.0
73.02961	5.3
85.02914	100.0
88.24812	3.5
97.02891	43.8
99.04458	5.5
101.02386	9.2
108.94120	3.4
109.02890	6.9
112.11427	3.5
116.57743	3.6
120.58345	3.5
127.02999	4.4
127.03925	77.5
141.16945	3.2
145.04973	63.2
163.03937	11.3
163.06053	17.5
166.04755	3.5
171.28973	4.0
175.34364	4.2
180.08719	6.0
218.94225	3.8
264.58044	4.1
350.20230	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	360.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01862	1.0
56.05036	0.9
56.96563	0.7
57.03452	0.9
61.02916	1.1
65.92273	0.8
67.05502	1.2
69.03413	1.8
69.34332	1.7
69.34727	7.2
70.06594	6.5
72.08138	1.7
79.05486	1.2
81.03389	0.9
81.07074	1.3
83.04956	0.8
84.04499	1.3
84.08149	1.1
85.02908	5.9
86.09703	1.7
91.05467	2.6
93.07025	0.8
95.04964	1.4
96.00658	0.6
97.02886	2.9
98.20695	1.5
98.97580	1.2
101.27131	0.8
102.86455	0.7
103.05421	0.9
105.07026	1.5
107.08571	2.0
109.02879	1.0
114.09148	1.8
116.07072	1.0
117.07015	2.5
119.04931	2.5
120.08055	1.4
121.06492	1.8
123.04426	100.0
124.04776	2.2
127.03917	1.3
134.99666	1.1
135.08070	2.8
135.10425	1.6
136.07565	1.2
137.05978	2.0
139.03876	0.8
141.90193	0.8
145.04961	0.8
145.06485	3.3
147.04416	3.2
149.06024	1.3
151.03918	1.2
163.03845	1.1
163.07533	33.5
165.05482	1.9
166.08702	1.6
167.07056	0.8
173.05968	2.1
177.05457	0.8
178.15862	0.9
179.07072	2.0
180.17491	1.8
181.08551	6.4
190.08624	4.4
191.07033	21.9
191.08768	1.2
192.06628	1.5
208.09685	37.1
209.10022	1.6
213.12262	1.1
217.13437	0.8
222.18565	2.0
237.02856	1.1
293.09021	1.5
299.17599	1.7
314.44745	0.8
316.20251	1.2
316.31104	0.7
325.10590	2.3
342.13321	1.8
343.12451	1.1
360.14340	10.2
360.22910	0.7
361.14267	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05497	1.0
56.05015	0.5
56.96544	0.5
57.03425	1.7
61.02900	0.5
65.03945	0.8
67.05486	1.3
68.99762	1.1
69.03406	1.8
70.06593	5.4
71.00583	1.5
71.04970	0.5
72.08147	2.8
79.05479	1.1
81.03421	0.6
81.07024	1.8
83.01315	0.9
84.04500	1.1
84.08125	0.7
85.02893	4.8
86.03230	0.8
86.09682	1.8
91.05481	3.2
93.03386	0.6
93.07031	1.5
95.04955	2.6
95.08588	1.2
97.02864	1.3
98.66253	0.4
98.97538	0.6
102.05519	0.6
103.05431	0.9
105.03393	0.8
105.07006	1.2
107.04947	1.6
107.08595	1.4
109.02836	1.2
115.05457	1.0
116.50697	0.4
117.07005	2.4
119.04939	2.5
120.08050	0.8
121.06495	2.9
121.66932	0.5
122.08405	1.6
123.04419	42.8
123.08723	0.6
127.03933	1.1
131.04897	0.9
133.06511	0.6
135.04419	2.5
135.08022	2.8
136.07576	2.4
137.06003	2.6
139.03868	1.5
139.13516	0.5
145.05093	0.8
145.06458	3.0
147.04399	7.5
149.05988	3.1
151.03897	1.9
152.59317	0.5
153.05466	0.6
161.05957	2.0
161.10661	0.7
163.03893	1.9
163.07536	18.5
165.05446	4.2
167.07025	1.2
173.05960	6.8
175.07535	2.0
179.07001	4.5
179.11800	5.3
180.12157	7.0
181.04889	0.7
181.08601	1.9
185.05891	0.6
187.07568	1.3
188.07039	0.7
190.08624	11.2
191.07016	58.8
192.07407	1.2
197.12848	2.9
198.13248	4.0
201.12265	1.0
203.07019	2.7
205.08504	0.5
208.09674	100.0
209.09961	1.7
213.33113	0.4
220.09634	1.9
229.11816	1.1
264.57516	0.5
269.07855	0.8
279.10123	0.5
293.08975	0.7
299.08820	0.6
311.12732	1.7
325.10641	5.6
325.14008	0.5
342.13434	5.0
343.11816	2.5
360.14389	28.5
361.06915	0.9
361.14664	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	359.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	21.4
57.03426	7.1
57.07076	100.0
61.22547	2.9
62.84963	2.8
66.53435	3.0
67.05505	33.6
69.07062	19.3
69.46722	28.6
70.06598	4.8
71.08625	81.4
75.04462	4.3
79.40032	2.5
81.07058	50.2
83.08618	23.5
85.10177	45.2
88.07646	3.6
89.06049	4.2
91.05456	4.6
95.08601	65.2
97.10165	24.7
105.03715	9.0
107.08530	3.7
109.10156	37.1
111.11704	12.1
122.06378	5.2
123.11724	17.7
123.12450	3.8
129.58788	3.5
137.13251	8.7
151.14816	4.2
241.03996	3.1
249.25710	3.8
267.26862	12.1
285.27820	6.8
296.29471	18.8
334.15768	3.4
341.26682	4.6
341.30518	66.4
342.31113	4.5
359.22827	4.9
359.37198	36.6
372.68631	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01865	5.9
55.05510	18.6
56.12506	2.1
56.96550	3.7
57.03439	15.3
57.07075	7.6
65.03925	4.4
67.03848	2.5
67.05509	29.4
69.03416	9.7
69.07069	34.5
71.04988	12.1
71.61079	3.3
71.61456	3.3
72.08131	5.2
79.05499	23.9
81.03423	6.8
81.07056	100.0
83.04982	8.2
83.08608	7.8
85.02915	7.1
85.06551	17.6
86.09700	9.2
89.16322	2.4
91.05486	26.6
93.07043	79.6
95.04973	21.4
95.08608	52.8
97.02928	3.5
97.06518	9.8
97.10194	5.7
98.97556	3.0
99.08086	3.8
103.05437	2.8
105.07031	38.3
107.04935	6.4
107.08590	29.2
109.02881	4.1
109.06522	9.0
109.10155	29.6
111.04453	5.8
111.08078	11.6
111.11718	2.9
115.05473	2.3
116.06097	2.1
117.03413	3.3
117.07014	4.3
119.04951	5.9
119.08588	23.3
119.09368	3.5
121.06507	3.9
121.10133	32.5
123.08054	6.7
123.11707	40.6
125.09646	8.5
127.07629	2.9
129.06985	4.5
131.04886	2.8
131.08588	7.9
133.10144	12.4
135.08070	4.7
135.11679	11.4
137.05965	29.6
137.09596	6.9
137.13254	8.8
139.11201	6.8
143.05681	5.5
143.08536	7.5
145.06473	5.0
145.10094	7.7
147.04413	6.8
147.11693	24.1
149.05936	2.9
149.09644	5.5
149.13260	9.5
151.03957	4.9
151.07523	3.1
151.11197	6.1
157.06499	2.7
157.10139	7.0
159.11703	9.2
161.05991	7.8
161.09558	4.8
161.13275	8.7
163.11191	2.5
165.05452	2.9
165.09137	3.3
165.12759	8.5
167.07083	11.7
167.08359	3.0
167.10710	6.4
171.11732	5.1
173.13249	2.8
175.07440	3.5
175.14784	4.8
177.05473	6.0
177.09024	4.1
177.12794	3.2
177.16391	3.6
181.04895	3.3
183.13760	3.8
187.14824	3.5
189.09122	3.2
193.08595	5.5
199.14734	3.9
201.16441	2.9
207.06497	3.1
213.16295	4.4
217.08760	3.9
223.07373	3.0
225.09021	3.0
229.14268	3.6
239.07118	2.5
242.05736	3.6
249.09027	4.4
253.08649	4.3
269.22647	3.0
285.11060	3.8
287.23831	5.3
293.24692	6.2
300.09918	3.3
301.07022	3.8
305.24771	13.7
309.11087	8.1
313.07239	3.9
313.10675	10.7
313.14441	7.7
323.25861	6.8
327.12149	6.2
341.13889	14.3
359.07404	3.0
359.11151	8.0
359.14890	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	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.0
55.01880	6.0
55.05502	16.4
56.96557	4.7
57.03428	8.7
64.44855	4.1
65.03938	5.5
67.05507	29.5
69.03430	43.9
69.07072	27.9
71.04971	9.9
71.59962	5.5
71.60341	4.7
72.08150	6.4
78.04697	4.2
79.05501	22.6
81.03403	17.5
81.07069	64.5
83.04975	11.4
83.08607	7.4
85.02886	10.7
85.06537	12.1
91.05476	36.9
91.58914	4.7
93.07043	54.9
95.04974	23.4
95.08608	51.6
97.02908	12.1
97.06503	7.1
98.97554	5.1
99.04440	11.9
105.07039	36.7
107.04961	12.7
107.08593	35.4
109.02866	12.1
109.06505	9.2
109.10156	26.5
111.03676	4.2
111.04443	11.8
111.08032	9.0
117.07011	11.7
119.04975	6.7
119.08610	23.3
121.06509	10.1
121.10146	26.1
123.04429	10.4
123.08043	8.6
123.11668	21.9
125.05978	6.9
125.09639	8.2
127.03933	8.9
129.07004	5.9
131.04922	9.0
131.08556	16.2
133.06439	4.8
133.10112	16.5
135.08058	12.0
135.11670	4.5
135.68883	4.8
136.01610	8.0
137.02336	13.0
137.05991	44.6
137.09561	6.4
143.08591	8.8
145.06564	8.7
145.10089	16.4
147.04443	7.7
147.08101	4.4
147.11708	14.9
149.09688	6.5
149.13234	5.7
151.03973	6.6
151.07549	5.3
153.05476	5.9
154.02606	26.3
157.10173	8.5
159.07938	4.9
159.11754	9.5
161.06006	9.6
161.09595	6.7
161.13268	11.1
162.03123	30.2
163.03896	5.8
163.11157	4.8
165.12880	5.7
167.07040	22.7
169.10121	5.9
171.11720	7.7
173.11739	5.3
175.07642	7.5
175.11249	6.5
177.05530	9.0
179.07077	8.2
179.10690	4.9
181.04990	12.4
181.06425	5.5
182.02098	27.2
183.08113	4.8
183.11818	4.6
193.08638	6.8
193.10251	5.1
195.08055	6.6
197.04515	9.4
197.11565	5.1
200.03183	46.0
211.07596	7.2
221.06435	4.3
221.09695	5.6
223.07518	6.6
235.07565	5.1
240.07822	5.5
249.08997	5.6
251.07103	6.2
252.07954	6.6
253.08557	12.3
259.07782	4.9
265.08429	8.2
267.10034	6.8
269.07950	7.7
270.08728	5.2
281.08154	7.4
281.11478	6.3
283.09521	9.5
297.07629	6.5
298.08359	5.9
299.05072	5.8
299.09079	6.0
305.24832	6.3
309.11029	8.7
313.10709	22.9
313.14325	17.0
326.04196	8.8
327.12296	10.5
329.06650	15.8
331.15326	8.7
341.13593	29.4
344.05142	10.0
359.07529	100.0
359.11224	24.7
359.14810	53.8
359.21985	9.0
359.26187	7.6
360.07867	16.3
360.15375	7.3
383.14389	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01884	1.1
55.05501	1.6
55.49069	0.5
57.03429	1.2
61.02913	1.7
62.14316	0.4
67.05495	2.1
69.03443	3.3
69.07063	1.8
70.06577	1.3
71.04987	0.7
71.39866	0.5
71.60503	0.8
73.02908	0.8
76.92182	0.6
79.05486	2.8
81.03416	1.5
81.07056	4.0
83.04965	0.6
84.08139	1.2
85.02911	9.4
85.03391	1.1
85.06564	1.2
86.09232	0.6
86.09710	11.4
87.04461	0.5
87.05595	1.2
89.90244	0.5
91.05477	4.6
93.07043	7.3
93.92818	0.5
95.04964	1.6
95.08618	2.9
96.08115	0.7
97.02892	2.4
97.06515	1.7
98.02415	0.7
99.04433	0.8
103.05445	0.8
103.93434	0.5
105.07027	7.3
107.04979	0.9
107.08598	31.5
109.02876	1.4
109.06519	1.5
109.10154	2.9
119.04971	0.6
119.08588	6.1
121.06542	1.5
121.10146	6.6
123.08041	1.0
123.11699	1.7
124.07567	0.9
125.09626	0.9
127.03917	1.8
131.08537	1.2
132.10138	1.0
133.10138	19.4
134.10437	0.6
135.08035	0.7
135.11740	0.9
137.05954	2.8
137.09616	1.4
138.09138	1.0
139.07552	1.6
141.10222	1.0
143.05647	0.6
143.08537	1.5
143.11678	0.8
145.04985	1.1
145.10156	0.9
147.04391	0.8
149.09615	4.8
151.07526	1.7
151.11197	8.4
155.11786	2.5
159.09160	0.5
161.05971	1.3
161.09613	6.8
166.99660	0.5
167.10684	13.6
179.07100	0.8
179.10661	17.3
180.10905	0.6
183.11365	1.6
197.11734	100.0
198.12067	1.8
200.13945	7.8
223.09363	0.6
228.13406	2.0
255.17119	0.5
325.17572	0.8
359.16486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01856	1.5
55.05504	1.4
57.03440	1.7
59.04987	1.5
61.02918	4.1
67.05501	3.2
69.03426	7.9
69.07073	1.1
69.31430	1.1
69.31832	6.3
70.06593	3.3
71.04980	1.6
72.08156	3.4
73.02907	1.3
73.10999	0.7
79.05476	2.2
81.03424	3.6
81.07040	3.2
83.04967	1.1
84.08144	1.7
85.02906	33.8
86.09706	2.9
87.04450	1.3
88.41280	0.7
91.05479	6.3
93.07042	7.4
95.04965	3.1
95.08600	1.9
97.02889	7.8
98.97652	0.6
99.04448	2.3
105.07036	8.9
107.08599	23.2
109.02914	3.8
109.06503	1.9
109.10148	1.9
110.07142	0.8
119.04931	2.2
119.08582	3.4
120.08082	0.6
121.06465	2.3
121.10147	1.2
123.04420	1.6
123.07999	0.7
123.11684	0.7
127.03937	6.4
129.10268	0.8
131.04933	0.8
133.10132	25.2
135.08018	1.0
135.10684	1.4
135.11694	23.4
136.07562	2.6
136.11972	1.0
137.05986	3.5
137.09627	1.9
145.04971	4.1
147.15671	0.7
151.11163	2.0
161.05969	0.9
161.09619	11.1
165.09114	0.7
167.07083	1.4
179.10675	38.7
180.11020	1.1
195.06601	0.8
197.11731	100.0
198.12050	3.1
212.07494	1.9
213.07671	1.9
354.18015	0.8
359.16568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03929	1.2
53.68668	0.7
55.05500	2.2
57.03420	2.8
57.07041	0.9
59.04991	1.4
61.02913	3.4
67.05499	2.7
69.03428	7.9
69.07066	2.0
69.30613	5.0
69.31032	2.3
69.45525	0.7
70.06583	3.5
71.04973	1.8
72.08148	2.0
73.02902	2.1
79.05480	3.0
81.03413	4.1
81.07030	2.8
83.04966	1.4
84.04500	1.1
84.08126	1.4
85.02901	33.1
85.06573	1.0
86.09706	3.8
87.04454	2.1
91.05476	8.7
92.11674	0.8
93.07036	9.8
95.04949	4.8
95.08591	2.2
97.02889	7.0
97.06526	0.9
99.04453	1.8
103.05476	0.8
105.07024	9.5
107.04939	1.1
107.08587	23.7
109.02859	3.2
109.06501	1.9
109.10154	3.3
119.04929	1.9
119.08578	3.3
121.06499	2.8
121.10088	0.8
123.04465	1.9
123.11736	1.6
127.03897	7.9
129.10147	0.8
133.06386	0.8
133.10121	23.9
134.05957	0.7
135.11687	22.9
136.07570	3.0
137.05966	3.6
137.09598	1.7
139.03816	0.8
145.04961	3.6
151.03949	0.8
151.07597	1.0
151.11214	2.4
161.05908	0.8
161.09612	12.4
163.03903	1.0
167.07129	2.3
177.05429	0.9
179.10661	41.8
181.05005	0.8
196.09653	0.9
197.11725	100.0
198.12083	2.1
212.07452	1.8
213.07620	3.7
225.35756	0.8
235.21472	0.8
261.26492	0.9
297.11414	0.9
312.21545	0.8
341.14078	1.1
359.11505	1.2
359.16599	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	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
53.03947	2.4
55.01869	4.1
55.05508	9.7
57.03429	2.5
59.20506	2.4
65.03938	32.6
67.05499	12.2
69.03432	8.5
69.07066	6.0
71.04988	4.4
71.11861	4.0
79.05490	7.4
81.03417	6.0
81.07053	18.4
83.04987	5.8
83.08609	3.4
85.02901	4.6
85.06541	3.2
86.09716	5.2
89.03925	4.0
91.05476	100.0
93.03419	27.7
93.07041	11.9
95.04984	12.0
95.08604	8.0
97.02886	7.7
97.06510	3.0
98.46603	2.3
99.04446	2.8
103.05454	8.0
105.03416	2.4
105.07044	7.6
106.65394	2.4
107.04953	7.1
107.08595	7.3
108.02093	2.3
109.02888	3.1
109.06526	3.5
109.10177	5.6
111.04441	6.8
113.67385	2.5
115.05467	5.1
117.07040	3.0
119.04981	2.9
119.08588	4.4
121.02879	14.2
121.06522	7.4
121.10131	4.1
123.04475	5.3
125.06023	2.7
127.03973	4.4
128.06221	3.9
129.07007	5.2
129.66209	2.5
131.04974	7.3
133.06474	3.8
133.10179	3.6
135.08095	3.6
135.11731	3.4
137.06006	15.2
141.07014	3.3
143.04834	2.9
143.08565	3.7
145.06462	5.0
145.10104	3.2
146.03664	2.9
147.04425	2.9
147.08096	4.2
147.11682	5.9
149.02347	3.5
149.05965	11.1
151.03897	4.4
153.05472	4.6
153.06956	2.9
155.08549	2.9
157.06503	2.6
159.08073	6.4
161.05960	4.9
161.09645	4.4
163.03912	3.7
165.07066	7.3
167.03403	4.6
167.07071	13.2
167.08405	5.7
169.06454	4.7
171.06569	2.8
175.03909	4.2
175.07680	3.7
177.05531	5.3
177.09123	2.4
178.07840	6.0
179.03394	9.5
179.07025	4.4
179.08495	4.0
181.04973	25.1
181.06496	6.4
182.07269	3.9
183.08087	5.0
187.06000	2.8
187.07578	3.2
194.07239	3.9
195.08075	12.5
197.04434	11.6
197.06078	7.2
198.06834	3.3
205.08464	2.7
206.07191	4.5
207.06558	9.9
207.08250	3.2
209.04446	11.0
209.06128	3.9
209.09639	3.9
210.06787	8.8
211.07600	6.5
212.08278	3.3
213.09064	3.2
217.04930	4.1
220.08813	2.8
221.06039	5.0
221.09685	12.3
223.07614	13.1
223.38019	2.6
224.08337	7.1
225.09116	7.0
227.07045	9.0
227.10634	4.1
234.06807	4.0
235.07634	5.3
237.09109	7.5
238.06300	4.7
238.09880	9.3
239.06950	17.1
239.10759	2.8
240.07837	20.4
241.08530	4.5
245.04193	2.5
249.09079	5.0
250.09880	3.2
251.07120	5.0
251.10779	3.7
252.07884	8.8
253.08583	37.4
253.12213	8.4
254.09473	3.7
255.06566	7.1
255.10097	11.7
257.08118	34.0
265.08655	9.4
266.09406	5.8
267.06711	6.1
267.10220	13.8
268.07239	8.4
269.08099	27.8
269.13541	3.7
270.08975	6.2
277.08661	3.4
280.10989	2.9
281.08127	15.2
281.11722	9.5
282.08582	2.7
283.06125	6.4
283.09683	20.1
284.10452	3.1
285.07507	5.5
285.11139	3.9
295.09662	3.8
297.07678	7.5
297.10855	5.1
298.08371	9.4
298.11740	4.2
299.12805	15.7
300.09866	21.7
309.11249	8.6
310.11993	4.0
311.09164	31.3
312.09656	3.1
313.10733	92.4
313.14383	57.6
323.09109	50.4
326.11523	7.8
327.12289	62.8
328.12891	4.7
329.10199	3.7
331.15369	22.2
341.10129	10.8
341.13882	52.7
341.22281	3.2
350.22711	4.9
359.07599	4.0
359.11182	13.7
359.14954	96.5
359.23349	41.8
359.73520	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	358.2699
Annotation	Ile Ile Leu
Peak:m/z	Relative Intensity
50.09080	0.3
53.03934	0.6
55.05506	0.8
56.05027	0.4
56.96548	0.7
57.03436	0.9
67.05492	1.0
68.05856	0.4
69.03424	1.4
69.07069	5.3
69.33777	0.3
69.64874	2.7
70.06583	1.2
71.04984	0.8
71.78119	0.4
73.89335	0.4
79.05487	0.9
81.03403	0.7
81.07070	2.0
82.07399	0.5
83.04990	0.5
83.08587	0.4
84.08138	0.4
85.02916	0.7
85.06511	0.5
86.09704	100.0
87.10040	1.2
89.03957	0.4
91.05491	1.4
93.07049	1.2
94.07372	0.4
95.04951	0.9
95.08595	1.5
97.02892	0.6
97.06548	0.9
98.21539	0.6
99.04449	0.7
105.07047	1.4
107.04958	1.0
107.08602	0.7
109.02890	0.8
109.06509	0.7
109.10158	0.7
111.04443	0.4
111.11720	0.6
115.05451	0.5
117.03361	1.0
117.07020	0.7
119.04923	0.5
119.08577	0.6
121.06475	0.5
121.10157	0.6
123.04437	0.7
123.08042	0.4
127.03884	0.9
129.06999	0.8
132.10219	0.9
132.73033	0.4
135.04446	0.4
136.07600	0.7
137.05963	3.4
138.06360	0.6
143.05716	0.7
145.02829	2.6
147.04430	0.6
149.05986	1.1
151.03914	1.0
151.07475	0.8
153.05450	0.6
161.05975	1.1
161.13283	0.5
163.07466	0.5
167.07059	1.5
167.10718	0.4
168.07430	0.6
175.07489	0.5
176.07878	0.5
177.05492	4.7
177.09198	0.7
178.05907	0.4
178.09499	0.8
179.07022	0.5
179.14355	0.4
181.04924	0.5
195.08051	0.4
197.11679	0.7
199.18056	36.9
200.18340	0.9
205.08676	0.4
207.06561	0.4
221.09944	0.4
227.17537	12.5
231.04849	0.5
245.18602	2.8
253.08539	0.8
257.14938	0.3
265.08704	0.5
278.13565	0.3
279.10086	0.3
295.09732	0.5
296.10025	0.5
300.09747	0.5
313.10690	0.6
320.11551	0.4
326.11255	0.6
327.12296	0.5
328.12729	0.4
336.41528	0.3
341.13602	0.5
352.86298	0.4
358.13327	1.9
359.14926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.6
55.01870	1.9
55.05514	62.9
56.98040	1.4
57.03186	2.2
57.03440	21.9
57.06792	1.8
57.07079	36.8
67.05503	25.7
69.07072	80.1
71.04976	2.2
71.08637	25.4
71.37144	2.3
73.06559	2.5
75.04476	1.5
79.05510	12.5
81.07064	31.3
83.04971	3.6
83.08625	48.5
85.06551	3.3
85.10179	11.6
87.04492	1.6
91.05472	4.0
93.07054	19.9
95.04996	1.6
95.08614	34.3
97.06531	15.5
97.10176	34.4
101.06017	1.9
105.07041	3.1
107.08599	13.7
109.10159	19.4
111.08115	7.7
111.11726	9.7
115.07587	2.7
119.08654	1.5
121.10153	20.3
123.11714	6.5
125.09632	10.2
129.09142	3.1
129.20647	1.3
133.10213	1.6
135.11699	16.5
137.13261	2.8
139.11198	8.4
143.10686	1.9
149.13268	11.5
151.14830	2.0
153.12729	6.3
163.14832	6.7
167.14345	5.5
167.44618	1.5
177.16399	5.2
181.15910	3.1
181.56627	1.5
191.17903	3.6
195.17458	3.4
199.16881	1.4
205.19511	1.9
247.24197	10.8
265.25308	16.5
301.01877	1.7
339.28946	15.2
357.30017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76253	5.4
55.01853	6.4
55.05529	7.0
56.96563	17.7
57.03432	14.0
57.09552	5.3
61.02917	10.5
67.05511	32.5
69.03420	11.1
69.07050	21.5
69.46559	54.9
70.06586	6.8
71.04984	18.2
78.28040	5.5
79.05482	35.1
81.03426	14.4
81.07043	27.4
83.08621	6.1
85.02912	11.1
85.06546	10.0
91.05486	23.3
93.07036	25.8
94.26290	6.2
95.04968	16.1
95.08607	26.1
97.06534	100.0
99.08106	7.7
105.07045	15.8
107.08593	14.8
109.10133	7.1
115.07571	9.6
117.07045	8.6
119.08523	9.9
121.10132	13.0
131.08543	7.2
133.10164	12.8
135.08104	9.1
135.11662	7.7
145.10146	10.2
159.11629	6.7
166.43164	6.8
218.76027	8.3
266.90018	6.6
269.10382	11.3
285.10019	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	357.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27575	0.4
51.33282	0.4
53.03952	0.6
55.05512	18.0
56.05840	1.9
57.03441	2.5
57.07078	9.0
58.06600	0.4
58.07400	0.4
59.29337	0.4
67.05506	13.1
69.03424	0.5
69.07068	22.6
70.06595	9.6
70.07389	1.6
71.04975	1.1
71.06931	1.9
71.08635	5.3
75.04461	0.7
79.05065	0.7
79.05491	9.1
81.07053	15.4
83.04955	0.8
83.08620	13.8
83.09112	0.7
84.08939	0.8
85.06536	0.6
85.10171	2.9
86.06040	0.4
88.07635	11.6
89.07378	0.5
89.07929	2.1
91.05469	1.6
93.06481	0.7
93.07043	11.4
95.04945	0.9
95.08603	14.9
97.06524	6.2
97.10172	9.0
99.08096	0.7
102.09185	2.8
103.03915	1.6
103.09477	0.9
105.07033	0.9
106.08675	6.3
107.08556	7.4
109.10159	7.0
111.08092	2.4
111.11720	3.1
119.08598	0.5
121.10143	15.5
123.11706	2.7
125.09629	1.6
125.13288	0.9
129.05441	0.7
129.09077	0.6
135.10689	0.8
135.11685	12.4
137.13237	1.5
139.11176	1.2
145.10016	0.4
149.13264	5.3
151.14821	1.8
153.12772	1.0
156.58755	0.4
157.12183	0.5
163.14850	1.9
165.16385	1.8
167.14449	0.5
177.16380	1.2
181.15842	0.7
191.17960	1.4
198.04140	0.4
199.18994	0.4
205.19627	0.4
240.26154	0.4
247.24202	12.6
265.25269	10.1
283.26334	0.9
284.03900	0.4
295.97147	0.4
301.23550	0.4
313.32892	1.0
339.28934	7.4
339.34470	5.3
352.40811	0.5
357.26465	5.9
357.35547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2998
Annotation	1-Oleoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.03943	2.4
55.05513	56.7
57.03441	28.8
57.07079	47.0
58.93225	1.5
61.02908	3.1
67.05501	24.8
69.03430	2.3
69.07069	85.7
71.04987	4.1
71.08630	28.5
71.60096	2.7
73.81174	1.6
79.05499	13.9
81.07059	39.2
83.04987	4.1
83.08144	3.4
83.08620	50.9
85.02912	3.7
85.06539	2.5
85.10167	13.8
91.05447	3.0
93.07046	19.8
95.08610	34.3
97.06525	15.5
97.10175	36.5
101.06042	2.8
105.06997	4.2
107.08597	16.5
109.06537	2.9
109.10168	14.0
111.08079	9.3
111.11715	11.0
115.07574	2.3
119.08574	4.1
121.10139	16.4
123.11689	6.4
125.09610	11.3
125.13263	2.4
127.84000	2.1
129.09180	2.5
135.11682	16.2
137.13234	3.3
139.11195	10.5
143.10670	2.3
149.13252	12.3
151.14783	2.5
153.12737	5.4
157.12309	2.0
163.14801	8.7
165.16405	2.4
167.14331	3.9
177.16374	6.1
181.15892	3.4
191.18065	2.5
195.17368	2.9
199.17024	2.4
209.18987	3.9
247.24185	7.8
265.25333	16.7
266.61188	1.9
339.29013	16.4
357.30008	100.0
380.77277	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Naphthgeranin B
Peak:m/z	Relative Intensity
53.03934	2.6
55.01858	2.5
55.05497	3.4
56.96556	4.7
57.03423	1.8
59.04991	4.9
60.51011	1.1
61.02928	2.1
67.05515	5.1
68.30673	1.0
68.99777	2.2
69.03436	7.3
69.07066	2.5
71.04996	1.5
71.05756	1.7
71.06081	1.2
73.02911	1.5
78.66022	0.9
79.05479	3.9
81.03419	13.4
81.07046	9.0
83.04981	2.8
83.08598	2.3
84.08152	1.1
85.02891	4.5
91.03944	1.6
91.05476	6.5
91.62081	1.2
93.07049	6.4
95.04958	2.7
95.08606	3.8
97.02888	4.5
97.06528	2.5
98.97607	1.4
99.04459	3.0
103.11414	1.1
105.07029	5.0
107.04948	3.7
107.08593	4.4
109.02881	7.4
109.06524	2.3
109.10150	1.8
110.83868	1.0
111.04424	2.9
115.05481	1.4
117.07014	2.7
119.04932	3.6
119.08610	3.2
121.06514	1.8
121.10173	2.4
122.03615	1.2
123.04418	3.8
125.02328	1.4
125.09578	1.1
127.03914	7.3
129.06981	1.8
129.84480	1.0
131.04935	2.2
131.08578	3.6
133.06476	3.0
133.10124	3.4
135.04398	1.5
135.08049	1.9
135.11665	2.3
137.02344	94.0
137.05949	9.7
138.02631	1.7
140.78171	1.2
141.06989	1.7
142.08627	1.2
143.08635	1.0
145.10168	2.4
147.04485	5.1
147.08037	1.3
147.11678	3.4
149.13245	1.4
151.03886	1.6
155.03395	15.0
155.08534	2.7
157.10078	1.6
159.04494	2.3
159.08063	2.6
159.11714	1.9
161.05972	2.6
163.03934	10.2
165.07062	1.4
167.06947	1.6
171.04451	3.2
173.06020	1.7
173.09618	1.2
175.03905	4.3
175.07571	1.9
177.05511	4.6
181.06467	1.3
183.08038	5.2
187.07574	7.4
193.12259	2.0
201.09222	1.7
203.10628	1.6
205.08636	2.4
211.07523	5.8
211.13388	1.2
229.08626	8.6
238.05795	1.4
243.08925	2.4
254.15727	1.5
267.09106	3.8
269.17447	1.3
279.10104	1.7
285.07541	1.5
285.10141	7.1
287.11526	1.5
288.77078	1.1
297.11215	12.2
308.11774	1.2
313.10669	1.8
321.11182	4.5
339.12280	100.0
340.12628	4.9
357.09125	1.4
357.13342	7.7
357.17706	1.9
357.24225	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	357.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82323	0.4
53.03930	0.4
55.01869	0.7
55.05506	0.7
57.03415	0.5
61.02918	0.5
67.05495	1.0
69.03404	1.7
69.07072	1.0
69.36610	3.2
69.37019	0.6
70.06593	0.8
71.04984	0.5
79.05472	1.2
80.06940	0.4
81.03420	2.3
81.07054	1.9
81.26765	0.4
83.04966	0.6
85.02881	1.6
85.06494	0.4
86.09689	0.6
91.05481	2.3
93.07027	1.2
94.04198	0.4
94.32080	0.5
95.04951	1.8
95.08587	1.0
97.02869	0.8
98.20756	0.6
99.04457	0.7
102.05551	0.5
103.05466	0.6
105.07023	1.7
107.04951	1.0
107.08603	1.1
109.02865	3.0
109.06528	0.6
111.04448	0.5
115.05456	0.6
119.04911	0.6
119.08533	0.6
121.02895	0.5
121.06483	0.8
121.10139	0.6
122.03644	0.9
123.04448	0.6
125.02375	0.5
127.03914	2.9
131.04936	0.7
131.97198	0.4
133.10136	0.5
135.04384	0.4
135.08109	0.5
135.11784	0.5
137.05981	13.6
137.09596	0.4
138.06285	0.5
143.04910	0.8
145.02869	0.5
147.04402	0.5
147.11670	0.8
149.05972	0.5
151.03951	2.7
157.43810	0.5
159.11673	0.7
161.06036	1.0
162.06755	0.7
163.03798	0.7
163.07550	0.6
167.07025	1.3
175.07515	0.8
177.05492	1.1
177.09052	0.5
189.06937	0.5
191.07079	0.5
195.06456	0.7
203.07002	1.4
219.08022	0.7
235.07434	0.8
239.06796	0.4
247.07472	0.6
265.08554	0.8
274.24228	0.4
279.10147	0.5
293.08185	0.5
295.09546	0.6
297.11081	0.9
307.09622	0.5
309.10983	0.5
313.10754	0.5
325.10626	1.3
327.12521	2.0
329.13885	0.5
339.07864	0.5
339.11963	1.0
342.03729	0.5
357.13748	5.1
357.18814	100.0
358.14264	0.8
358.19168	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	357.1332
Annotation	(+)-EI 1507-2
Peak:m/z	Relative Intensity
53.03945	2.3
55.01865	3.1
55.05507	1.8
56.96553	2.4
57.03442	1.1
61.02931	0.9
67.05511	4.2
68.99786	2.5
69.03416	3.0
69.07075	1.3
71.04992	1.0
71.59883	0.9
79.05492	3.5
81.02996	0.9
81.03423	10.4
81.07065	4.1
83.05007	0.9
83.08603	1.3
85.02903	2.8
91.05481	6.6
93.07049	3.3
95.04966	2.5
95.08597	2.4
97.02902	2.4
97.06551	1.2
99.04454	1.5
105.07029	3.4
106.07330	1.2
107.04941	3.7
107.08595	2.5
109.02886	3.1
109.06535	1.0
109.10156	1.7
111.04435	2.0
115.05457	1.8
116.98687	0.9
117.07038	1.0
119.04925	6.7
119.08601	2.0
121.06498	1.6
121.10162	1.3
123.04433	9.3
127.03951	3.7
128.06216	1.1
129.06998	1.4
131.04924	3.0
131.08582	2.0
132.08900	0.9
133.06480	1.1
133.10173	1.4
135.04370	2.0
135.11731	1.0
137.02345	100.0
137.05943	7.5
138.02658	1.1
139.03888	0.9
141.07024	2.0
143.08580	2.5
144.08917	1.2
145.06517	2.1
145.10129	2.0
146.10580	1.1
147.04414	10.3
147.11726	0.9
149.05992	1.6
149.13194	1.4
151.03957	1.1
153.06963	1.0
155.03387	5.6
155.08554	4.4
157.06448	0.9
157.09920	1.2
159.04472	2.1
159.07973	1.7
161.05991	2.6
161.09583	0.9
163.03899	14.9
163.11153	1.3
165.06984	2.7
167.07101	1.5
168.05681	1.4
169.06531	2.0
171.08081	0.9
171.11707	2.7
172.12024	6.4
173.06009	2.6
173.09590	1.4
175.03925	5.2
175.07623	0.8
175.11240	0.8
177.05496	1.6
177.09116	1.5
181.06523	0.8
183.08070	7.6
187.03955	9.2
187.07550	5.6
189.09161	1.1
193.04910	1.9
193.06519	1.5
193.12216	1.2
195.08092	1.4
197.06059	2.5
198.96686	0.7
200.11621	1.0
201.05522	3.7
201.09120	5.4
203.07101	1.0
203.10756	2.3
204.06549	1.1
205.08551	1.4
211.07547	16.0
211.13396	0.9
214.06276	2.0
215.07039	1.9
217.12251	4.1
218.12587	14.8
219.08131	0.8
221.06003	1.3
223.07545	1.2
229.08594	18.0
232.08955	1.2
232.51907	0.7
236.13712	1.0
239.07021	4.0
241.08153	0.8
243.06612	5.7
243.08807	1.4
247.09648	9.8
249.05412	1.1
250.06055	1.2
250.09863	0.8
251.07104	2.0
251.10725	1.0
257.08105	1.6
260.08322	2.0
264.40497	0.7
267.06570	5.7
267.09079	1.8
275.10690	2.8
279.06519	3.1
279.09918	1.0
283.05963	0.9
285.07355	6.6
285.10190	3.2
293.11734	2.1
297.07565	2.5
297.10965	0.8
303.10110	4.6
306.08716	1.5
307.09637	1.5
312.60449	0.8
321.11215	28.5
322.11359	0.9
325.11023	1.4
339.08289	1.6
339.12292	16.7
340.12766	0.8
357.13345	88.8
357.17886	40.7
357.24625	1.7
358.13699	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43616	1.7
53.03938	2.2
55.01870	3.0
55.05517	13.3
56.96576	13.0
57.03436	7.1
61.02925	6.9
62.06092	65.7
65.32635	1.8
67.05511	22.2
69.03423	5.7
69.07069	8.0
70.36032	3.9
71.04993	4.3
72.08147	2.7
73.02931	3.3
79.05493	13.1
81.03436	7.4
81.07049	22.6
81.54775	1.7
81.82484	1.9
83.04956	2.7
83.08616	4.7
84.08135	1.7
85.02904	10.5
85.06543	2.6
91.03961	3.3
91.05438	9.4
93.07043	16.3
95.04985	5.1
95.08602	9.0
97.02897	6.7
97.06519	2.7
97.10188	1.9
98.97599	3.5
99.04468	1.9
101.02390	1.9
105.07016	9.6
107.04961	2.4
107.08627	9.7
109.02836	2.2
109.06550	2.9
109.10126	3.8
110.50333	1.9
111.04501	2.5
111.08045	1.9
116.98617	5.4
117.07030	3.9
119.08591	6.2
121.06545	2.1
121.10183	5.4
127.03916	3.4
131.08549	4.8
133.10136	5.1
134.99686	3.4
135.11668	3.7
145.10133	2.6
147.11746	2.0
149.01221	4.2
149.13301	3.5
157.10095	1.8
159.11684	3.4
177.00710	3.6
185.04840	3.8
193.12239	3.0
195.13844	3.7
199.06409	2.6
203.06041	2.0
213.07991	3.5
217.07426	2.0
224.08104	3.6
229.07428	2.7
231.09076	2.7
238.18034	100.0
239.05998	2.4
239.16386	3.4
243.09030	2.3
256.19098	7.5
257.07043	6.2
257.10648	3.3
258.70905	1.8
261.10168	1.8
267.09134	2.5
269.10355	12.3
269.17450	4.3
271.13916	2.3
275.08209	2.5
275.14136	10.4
275.64142	2.0
283.08694	2.2
284.20682	5.1
285.10150	3.2
287.11728	8.6
292.12006	2.3
299.11429	2.7
320.25891	7.8
338.26904	4.9
356.16736	11.4
356.26416	13.0
356.31134	6.4
356.66998	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1178
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
53.03937	0.3
53.16931	0.2
55.01868	0.3
56.05028	0.3
56.96558	0.6
57.03426	0.3
58.72430	0.2
63.53936	0.2
65.03932	0.3
66.04724	0.2
69.03419	0.8
70.06597	1.5
70.25677	1.0
72.08165	0.3
79.05505	0.7
81.03409	0.5
81.07037	0.4
81.64664	0.2
83.04944	0.2
83.06089	0.2
84.04481	0.4
84.08132	0.4
85.02887	1.1
86.09699	0.6
91.05466	2.3
93.07041	0.2
94.04189	1.2
95.01327	1.9
95.04968	0.5
97.02885	0.5
97.06565	0.3
98.21410	0.3
99.04441	0.3
103.05458	0.7
107.04938	0.6
109.02869	0.5
109.06490	0.3
111.04459	0.3
116.07131	0.5
116.98619	0.5
119.04938	1.9
121.06444	0.3
122.03646	5.0
123.04422	0.6
127.03918	0.7
129.01836	0.3
131.04918	1.5
133.02788	0.2
133.06519	0.3
135.04408	0.5
137.05974	100.0
138.06310	1.8
138.42480	0.3
141.01826	1.0
145.02937	0.4
147.04393	1.5
149.05988	0.3
151.03893	0.5
151.07539	1.2
153.05463	0.3
157.07559	0.2
161.01170	0.3
161.05981	0.6
163.03891	0.7
163.07556	2.2
167.07071	1.2
177.03992	0.5
177.05437	0.4
179.07127	0.3
181.04933	0.9
181.08623	2.1
189.05365	0.4
193.05014	0.2
195.02936	0.3
195.06621	0.4
207.06413	0.3
209.08038	0.2
255.08694	0.3
301.78683	0.2
339.11871	0.3
357.15497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	1-Monolinolein
Peak:m/z	Relative Intensity
53.03930	3.6
55.05512	42.7
56.96568	27.0
57.03425	9.7
57.07070	14.9
66.72998	2.0
67.05504	81.7
69.06723	3.2
69.07069	51.1
71.04991	3.4
71.08616	6.7
71.95266	2.8
79.05486	29.5
81.07056	100.0
81.67249	2.2
83.04984	4.9
83.08614	33.5
83.87787	2.4
85.06550	4.4
85.10161	3.1
91.05443	20.3
93.07043	33.2
95.04980	3.4
95.08605	83.7
97.06511	11.2
97.10160	25.9
97.96757	2.6
99.08104	5.5
103.03931	2.6
105.07026	18.9
107.08598	24.9
109.10149	48.2
110.97564	3.4
111.08074	6.5
111.11716	8.3
113.09687	3.2
115.97837	2.9
119.08582	18.2
121.10144	31.4
123.11705	25.8
125.09611	4.7
125.13300	2.7
128.98602	14.5
131.08578	3.8
133.10121	20.4
135.11710	21.2
135.68614	2.2
137.09583	2.4
137.13234	9.5
139.11150	3.7
141.02232	2.4
141.12669	3.1
145.10204	2.3
146.99663	16.2
147.11671	16.7
149.13268	16.0
151.11137	3.8
151.14778	5.5
155.03865	2.5
161.13271	17.7
163.14812	13.1
165.16406	5.5
167.14236	3.1
175.14836	13.3
177.16335	3.3
179.17940	4.3
189.16399	6.1
245.22658	47.0
246.22943	3.3
263.23691	46.3
299.05496	4.6
315.16321	27.6
331.15546	3.2
333.17358	77.8
337.27377	34.1
351.18433	33.8
355.16168	2.6
355.28342	15.8
355.33038	4.7
356.18854	8.8
374.19855	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	356.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01878	1.0
55.05507	1.4
56.96563	1.4
57.03428	0.8
65.03931	0.9
67.05488	2.1
68.99777	1.2
69.03413	2.3
69.07071	0.7
69.34766	5.2
69.35171	1.0
79.05479	2.4
81.03411	5.3
81.07060	3.9
83.04954	1.6
83.23351	0.7
85.02927	1.5
90.43728	0.5
91.05472	6.4
93.07034	3.3
95.01324	0.8
95.04956	1.8
95.08602	1.9
97.02871	1.4
97.06525	0.7
99.04468	0.9
105.07030	9.3
107.04965	1.3
107.08592	2.1
109.02867	1.8
111.04466	1.1
115.05492	0.7
117.07020	2.6
119.04928	2.4
119.08581	5.5
121.10127	1.6
123.04420	2.9
127.03907	1.9
128.06223	2.8
129.07021	5.2
130.07780	1.1
131.08562	5.4
133.06438	1.1
133.10110	2.0
135.04408	0.9
137.02338	25.0
137.05965	2.7
138.81178	0.6
141.06961	2.4
142.07797	2.9
143.05630	1.9
143.08562	18.2
145.02888	0.7
145.06468	0.7
145.10135	8.7
147.04398	3.1
147.08037	1.9
147.11665	5.4
148.12117	1.2
155.03426	1.7
155.08586	2.5
156.09349	7.6
157.06505	0.7
157.10120	2.8
159.08028	0.7
161.01051	0.7
161.09602	2.5
161.13206	2.0
163.03893	3.2
163.11185	7.1
165.06955	1.1
171.11694	51.0
172.12076	1.4
173.13293	4.9
175.03880	1.5
175.07539	1.3
175.11197	2.8
177.05458	2.1
181.10098	1.7
183.08067	2.0
184.08894	0.7
187.03880	2.5
187.07684	1.3
189.09018	0.9
189.12827	2.9
191.37712	0.6
199.11177	7.9
201.05545	1.2
201.09154	1.4
205.08638	0.7
211.07553	4.5
215.07127	0.9
217.12238	100.0
218.12601	1.6
229.08604	4.2
235.13327	5.4
239.07190	1.1
243.06549	1.6
247.09637	1.9
251.11047	1.1
255.07306	0.7
267.06534	1.1
269.12177	1.0
285.07553	1.2
289.86322	0.6
297.07452	1.1
298.03976	0.6
303.10132	1.0
321.10864	4.3
339.11908	3.0
349.35120	0.7
356.11972	1.5
357.13394	15.7
357.17828	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05505	0.8
57.03415	0.5
59.86486	0.3
69.03439	0.8
69.07060	0.4
71.60661	0.4
71.61084	0.4
79.05466	0.5
80.52169	0.3
81.07064	0.8
83.04967	0.5
83.08601	0.7
84.08129	0.5
85.02895	0.8
86.09657	0.4
91.05479	1.0
93.07043	0.7
94.96619	0.3
95.04986	0.4
95.08595	0.9
97.02876	0.7
97.06526	0.5
99.08064	0.4
100.07597	0.6
100.11246	1.4
105.07028	0.5
107.04938	0.4
107.08591	0.6
109.02886	0.4
109.06506	0.4
109.17953	0.4
111.04429	1.1
112.07598	0.5
119.01998	0.3
119.04937	0.7
119.08557	0.6
121.02813	0.8
121.10151	0.6
122.06012	0.4
123.04394	0.5
128.07109	0.7
129.76984	0.4
133.02838	1.2
137.05963	1.4
146.00267	0.3
147.04350	0.4
161.02293	0.6
161.05917	0.6
163.03879	0.6
165.05403	0.5
165.06937	0.3
167.07060	0.5
175.03931	0.6
175.07504	0.8
180.07788	0.6
182.15408	2.4
193.04945	2.6
201.03683	3.1
201.05501	1.7
203.05159	1.6
205.06500	0.5
210.14900	3.1
228.15948	1.0
234.06824	0.4
261.45740	0.4
265.08704	0.4
283.05978	1.3
294.05295	0.7
309.07391	0.4
337.07098	1.3
337.21161	0.9
341.51547	0.4
355.17249	100.0
356.17593	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03931	2.8
55.01872	4.2
55.05508	41.7
57.03438	12.8
57.07076	17.0
61.72445	2.0
65.03925	3.5
67.05502	79.4
68.05817	2.2
69.07066	48.0
69.83886	1.9
69.86981	9.6
71.04981	4.3
71.08657	4.8
79.05145	2.2
79.05502	28.0
81.07057	100.0
83.04947	2.4
83.08613	32.8
85.10169	3.9
91.05471	21.7
93.07040	34.3
95.08605	86.5
97.06516	10.8
97.10162	19.3
98.20772	4.3
99.08106	4.3
105.07037	16.1
107.08596	20.5
109.10158	40.8
111.08099	5.2
111.11703	7.8
119.08594	14.3
121.10130	24.4
123.11710	20.8
125.09624	3.0
129.05481	4.8
131.08614	2.9
133.10133	19.3
134.63641	2.7
135.11685	12.0
137.09598	3.3
137.13243	6.9
142.12524	1.9
145.06328	2.1
147.11678	16.5
149.13234	12.1
151.14803	7.9
161.13266	13.6
163.14839	12.7
165.16370	4.8
166.71245	2.0
175.14902	11.3
179.17929	3.8
189.16289	3.7
203.18202	2.4
245.22649	42.9
246.22830	2.4
257.41138	2.1
263.23676	41.2
337.27319	22.6
355.28287	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	355.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91840	0.5
53.64761	0.5
64.45637	0.5
69.03419	1.2
69.07036	0.5
69.49955	4.6
69.50359	0.9
78.04720	1.6
79.05499	2.3
81.07049	1.0
83.86601	0.6
91.05475	8.4
93.07047	0.9
95.04983	1.6
101.90884	0.7
103.05479	2.2
104.06253	1.2
105.07026	8.2
107.04922	3.2
115.05457	8.1
117.07008	6.6
118.04188	0.9
119.08581	7.1
123.04433	3.5
124.05212	2.6
128.06248	2.9
129.07007	5.6
131.04922	2.7
132.05701	5.7
133.06503	6.8
134.03723	0.8
137.05984	1.5
141.06987	14.4
143.05980	0.6
143.21106	0.6
145.06487	2.7
147.08044	19.5
151.03857	1.0
152.04646	1.2
157.06514	1.4
157.96078	0.6
158.07179	0.6
159.08012	1.4
160.05208	5.0
161.05965	10.6
163.07562	0.7
167.07040	53.7
168.05569	0.6
168.07333	1.0
169.06493	20.0
170.07265	1.2
173.09602	0.9
175.07542	100.0
176.04666	0.7
176.07866	2.1
179.08681	0.6
186.06717	1.7
187.07516	3.3
189.09084	4.0
191.07021	4.4
193.04958	1.0
193.08607	28.8
194.08891	0.8
201.05429	0.8
201.09137	7.2
203.08633	0.8
215.53004	0.6
223.75885	0.7
231.08080	1.4
247.07385	0.9
259.07458	1.2
263.10519	0.9
291.10001	1.5
293.07999	0.7
295.13232	1.1
309.11142	0.8
323.12469	2.8
328.85120	0.6
355.15314	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	355.1538
Annotation	3'-Methoxyglabridin
Peak:m/z	Relative Intensity
51.91840	0.5
53.64761	0.5
64.45637	0.5
69.03419	1.2
69.07036	0.5
69.49955	4.6
69.50359	0.9
78.04720	1.6
79.05499	2.3
81.07049	1.0
83.86601	0.6
91.05475	8.4
93.07047	0.9
95.04983	1.6
101.90884	0.7
103.05479	2.2
104.06253	1.2
105.07026	8.2
107.04922	3.2
115.05457	8.1
117.07008	6.6
118.04188	0.9
119.08581	7.1
123.04433	3.5
124.05212	2.6
128.06248	2.9
129.07007	5.6
131.04922	2.7
132.05701	5.7
133.06503	6.8
134.03723	0.8
137.05984	1.5
141.06987	14.4
143.05980	0.6
143.21106	0.6
145.06487	2.7
147.08044	19.5
151.03857	1.0
152.04646	1.2
157.06514	1.4
157.96078	0.6
158.07179	0.6
159.08012	1.4
160.05208	5.0
161.05965	10.6
163.07562	0.7
167.07040	53.7
168.05569	0.6
168.07333	1.0
169.06493	20.0
170.07265	1.2
173.09602	0.9
175.07542	100.0
176.04666	0.7
176.07866	2.1
179.08681	0.6
186.06717	1.7
187.07516	3.3
189.09084	4.0
191.07021	4.4
193.04958	1.0
193.08607	28.8
194.08891	0.8
201.05429	0.8
201.09137	7.2
203.08633	0.8
215.53004	0.6
223.75885	0.7
231.08080	1.4
247.07385	0.9
259.07458	1.2
263.10519	0.9
291.10001	1.5
293.07999	0.7
295.13232	1.1
309.11142	0.8
323.12469	2.8
328.85120	0.6
355.15314	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	355.1175
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
55.01848	0.5
55.05499	1.0
61.02928	0.4
65.03937	4.2
67.05492	0.8
69.03432	3.0
69.07076	0.6
69.31410	2.0
69.31839	1.9
71.04991	0.4
72.08115	0.4
79.05495	1.2
81.03409	1.0
81.07053	1.6
83.04986	0.4
83.08636	0.5
85.02940	0.6
91.05479	100.0
92.05811	1.2
93.03408	1.7
93.07026	0.8
95.04965	0.9
95.08600	1.1
97.02900	0.4
97.06503	0.5
98.21513	0.8
99.04455	0.5
100.11249	0.7
103.05478	0.8
105.03415	0.4
105.07041	1.6
107.04947	1.2
107.08591	1.2
109.02915	0.5
109.10165	0.6
111.04480	0.5
111.08054	0.4
115.05461	1.7
117.07014	1.6
119.04975	0.5
119.08571	1.3
119.17975	0.3
121.06512	0.6
121.10171	0.6
123.04411	1.1
123.11709	0.4
124.05200	0.4
127.03947	0.7
128.10707	0.3
129.06998	0.9
131.04932	0.9
132.05663	0.5
133.02847	1.9
133.06509	1.0
135.04407	0.8
137.06010	2.0
141.07028	1.3
143.08568	0.4
145.06453	1.7
147.04404	1.0
147.08078	2.7
147.11693	0.8
149.02341	0.9
150.29225	0.3
151.03896	0.8
151.07535	0.4
156.10275	0.4
157.06520	0.6
157.10164	0.5
159.08073	0.5
160.05258	0.7
161.01178	0.4
161.02298	1.8
161.05943	3.1
163.03941	0.5
165.05563	0.4
165.06958	0.6
167.03418	2.6
167.07050	5.6
169.06514	1.2
173.06029	1.5
175.03896	1.3
175.07545	9.8
175.86789	0.4
178.07852	0.3
179.03448	0.7
182.15486	0.5
185.06030	0.4
186.03009	0.5
186.06812	0.4
188.98477	0.3
189.05510	0.4
189.09184	0.5
191.03430	0.6
191.07021	0.6
193.04955	4.0
193.06589	0.4
193.07007	0.3
193.08582	2.5
197.04427	0.7
197.06033	0.5
201.05457	3.1
201.09145	0.6
205.06497	0.4
210.15021	0.4
210.99152	1.1
211.44121	0.4
221.06085	0.4
228.04167	0.7
229.04965	1.0
233.04439	0.5
234.06845	0.9
235.07590	0.5
237.09102	0.4
239.07104	1.7
246.05292	1.0
247.05902	2.7
250.06161	0.4
251.07059	1.2
251.10757	0.6
253.08531	0.4
257.07980	1.7
259.06015	1.5
262.06219	0.5
263.07108	0.9
265.08682	0.9
269.08176	1.2
277.08585	1.1
281.08130	1.2
291.10156	0.5
293.08090	1.4
295.09644	0.6
307.09711	0.5
309.11346	0.6
311.12875	0.5
313.10486	0.6
319.09677	4.0
323.09235	0.8
325.10773	1.3
337.10733	7.0
351.04398	0.4
355.03888	0.4
355.07959	0.6
355.11719	3.4
355.15735	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1176
Annotation	Gancaonin C
Peak:m/z	Relative Intensity
52.85780	0.6
53.03942	0.6
55.05505	2.5
56.96582	0.9
57.03411	0.7
57.07080	0.9
61.89067	0.6
62.06096	2.7
65.03948	0.8
67.05505	5.3
69.03415	2.0
69.07071	6.1
69.23500	0.5
70.14907	1.8
70.15318	1.3
71.04961	0.7
79.05482	3.5
81.03422	1.7
81.07063	10.2
81.18562	0.6
83.04982	1.0
83.08619	2.1
85.06559	1.1
91.05438	4.3
93.07037	5.1
95.04976	1.6
95.08619	5.9
97.02900	1.0
97.06530	1.0
97.10165	0.8
99.08139	1.0
105.07031	4.9
107.04965	1.3
107.08598	5.5
109.02876	0.6
109.06529	2.3
109.10168	3.6
111.11723	1.4
111.56328	0.7
117.07006	0.8
119.05009	1.4
119.08576	3.7
121.02890	2.5
121.10128	3.3
123.04404	0.8
123.08051	1.6
123.11714	2.2
127.03966	1.2
127.07552	0.6
128.06155	0.7
129.07024	1.0
131.08574	1.7
133.06490	0.7
133.10117	2.6
135.04453	0.8
135.11719	1.4
137.02309	3.1
137.05959	1.2
137.13268	2.3
139.07538	0.6
141.01974	0.6
145.10138	1.5
147.11691	6.4
149.13304	1.8
151.11215	0.9
153.12810	1.0
157.10120	0.9
159.11703	0.9
161.13301	1.3
163.03917	1.3
163.11177	0.7
165.01851	1.7
165.12781	2.4
173.02234	0.6
175.07500	0.9
175.11188	0.6
177.01752	0.7
180.95299	0.6
183.02879	2.1
183.08069	1.1
192.51669	0.6
193.12242	2.4
197.05928	0.7
199.07507	0.7
201.05542	1.3
207.13853	0.6
227.07253	0.7
229.05037	0.9
229.14366	2.1
235.03011	0.7
235.07663	0.6
238.92917	0.6
239.07088	1.7
239.18410	1.0
247.07663	0.9
248.08357	0.7
252.67238	0.6
263.10785	0.8
267.06549	4.7
271.05991	1.1
276.07834	0.7
279.06522	1.4
281.08270	1.3
283.06015	37.4
291.10025	1.3
293.07983	1.2
295.06067	8.7
295.09567	2.0
297.07492	1.0
299.05435	1.6
301.25198	1.1
307.06134	4.1
308.06781	4.7
309.07559	2.7
309.10886	1.0
319.09677	6.6
319.26617	4.3
321.07620	3.4
322.08359	6.3
323.09097	0.8
337.10718	100.0
337.27258	2.5
338.11124	2.6
355.11835	4.5
355.22705	0.8
355.28116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1177
Annotation	Platanetin
Peak:m/z	Relative Intensity
55.01875	0.6
56.42419	0.1
58.80249	0.1
59.04967	0.1
67.05477	0.1
68.99794	0.4
69.80663	0.3
69.81075	0.2
70.05008	0.1
79.05450	0.1
81.03403	0.2
81.07030	0.1
83.11575	0.1
89.03901	0.2
90.44559	0.1
97.02873	0.1
107.04938	0.5
109.02818	0.2
117.03347	0.4
120.57278	0.1
123.00784	0.1
133.02783	0.2
135.04384	0.7
137.02341	3.9
137.03403	0.2
141.01828	2.5
141.06973	0.3
147.04404	0.1
155.03365	0.2
161.02289	0.1
161.05969	0.2
165.01839	5.7
166.02144	0.1
169.06517	0.4
171.04395	0.2
173.05899	0.1
183.02895	3.6
183.04532	0.2
185.72235	0.1
187.07532	0.2
189.05490	0.2
197.05936	0.5
199.03827	0.2
201.05499	0.2
215.06978	0.5
217.04987	0.1
225.05428	0.5
227.03345	0.1
227.07065	0.1
229.04994	0.1
243.06496	1.0
245.04465	0.3
253.05009	0.7
271.06027	1.3
281.04401	0.9
281.21768	0.1
299.05499	100.0
300.05832	2.7
303.44586	0.1
355.11755	8.7
356.12131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1026
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
51.39859	1.8
55.01867	2.5
55.05482	1.5
56.05025	1.7
56.96564	2.9
57.03415	2.8
58.92024	1.4
61.02900	1.7
64.51585	1.5
65.03925	2.1
67.05495	2.7
69.03424	10.7
69.07060	2.8
70.06597	8.0
70.46960	1.5
71.04977	2.3
71.35181	3.7
72.08138	3.5
74.78516	1.5
79.05486	6.2
81.07079	2.0
82.06609	1.6
83.04978	4.0
84.04441	1.9
84.08144	3.9
85.02903	4.9
85.04021	2.8
86.09709	9.2
86.22840	1.6
89.03907	11.6
91.05473	7.0
93.07055	2.4
95.04961	6.0
97.02897	3.7
97.06502	2.3
99.04436	2.1
103.05476	2.4
105.07032	3.6
107.04962	8.6
107.08549	1.8
107.41621	1.8
109.02858	2.8
109.10201	2.0
111.04443	2.3
117.03382	9.4
119.04948	7.8
121.02885	3.8
122.03587	2.5
122.06020	3.4
123.04412	3.3
123.08051	2.1
127.03930	2.7
133.02846	9.7
133.07614	2.0
133.10126	3.3
134.03625	4.2
135.04456	21.5
137.05978	13.5
143.05695	2.9
145.02824	14.4
145.07642	2.0
147.04437	7.3
147.08076	2.1
147.11652	1.9
149.05904	3.3
149.09657	2.6
151.03906	4.3
151.07527	3.0
153.05466	2.1
160.05069	33.4
161.02368	7.9
161.05418	35.0
163.03906	100.0
164.04253	3.4
165.05447	3.9
167.07149	2.9
173.05896	3.0
174.57309	1.7
175.03922	4.8
177.03278	2.7
177.05489	3.3
180.07803	3.6
181.08450	1.8
186.03055	2.4
189.06732	2.7
192.07684	29.8
193.05086	17.2
193.08046	42.9
201.05486	27.6
203.08197	2.0
207.07695	43.2
221.09258	25.1
234.06688	2.5
239.06786	1.7
262.06201	3.9
263.07040	2.3
268.97748	1.9
277.08450	2.8
285.01227	2.0
290.05670	2.2
305.08157	1.9
307.09286	1.7
318.23413	1.9
323.09116	2.0
323.12442	2.7
337.10443	2.5
355.08231	2.2
355.15176	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
53.10228	0.7
67.56805	0.7
70.66167	2.8
71.50336	0.9
79.05487	1.2
82.06532	0.9
82.21563	0.8
89.03919	6.6
90.89805	0.7
106.89576	0.9
107.04962	2.8
110.06028	1.2
117.03378	8.6
135.04419	18.9
136.07544	6.1
141.23001	0.8
145.02841	11.0
145.03906	1.4
163.03906	100.0
164.04204	1.6
164.07082	11.6
182.08139	9.0
199.86555	0.9
246.72987	0.8
288.34955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1022
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.17263	0.5
56.38995	0.4
57.32646	0.4
62.60090	0.3
63.25584	0.4
70.07612	2.0
71.66547	0.4
79.05488	0.9
83.04975	0.8
89.03907	5.9
94.66879	0.4
95.04967	0.5
107.04986	2.0
111.04434	0.6
111.79717	0.4
112.39813	0.4
117.03378	8.1
120.69733	0.4
128.53055	0.4
135.04401	17.8
145.02834	11.0
163.03894	100.0
164.04211	1.8
212.57658	0.4
247.12151	0.4
305.50562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.01874	2.8
55.42599	1.3
55.77535	1.5
56.05058	1.8
67.05530	1.8
69.03437	2.7
70.06573	3.3
71.34976	3.7
72.31372	1.8
79.05490	2.1
83.04934	1.7
84.08149	2.5
85.02904	3.3
86.09715	1.5
89.03942	7.6
91.05452	2.1
97.02880	2.7
105.07064	1.6
107.04977	4.9
109.02835	1.6
116.98611	2.3
117.03400	5.8
119.04910	1.9
121.02848	10.6
122.06007	8.5
123.04472	2.3
130.06491	2.1
133.02826	9.0
135.04427	22.4
137.05986	4.9
145.02849	12.6
147.04424	2.6
150.03079	1.5
151.03822	2.1
161.02289	8.4
163.03914	100.0
164.04335	1.8
165.05466	3.3
167.07097	1.8
174.43079	1.6
175.03998	1.6
177.05435	2.5
178.02626	5.5
180.07913	3.0
181.04889	3.3
188.42348	1.8
193.04971	64.4
201.05476	4.3
206.40573	1.5
265.17368	1.5
313.11456	1.5
355.08182	2.4
355.14420	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	4-Caffeoylquinic acid
Peak:m/z	Relative Intensity
51.18353	1.0
56.96572	1.3
57.03445	2.3
61.02926	1.9
69.03428	6.1
71.04166	2.6
71.04508	2.1
73.02899	1.8
79.05476	1.4
85.02898	10.6
86.19592	1.0
89.03922	9.7
97.02882	4.4
98.97563	2.3
107.04969	3.2
110.05992	1.6
117.03378	10.1
127.03918	4.5
130.84669	1.1
135.04427	20.1
136.07536	2.7
145.02824	17.3
145.04939	1.8
155.01933	1.3
161.02969	1.3
162.03052	2.3
163.03917	100.0
164.04306	2.1
164.07100	5.7
179.14383	1.2
181.04924	1.2
182.08113	3.3
184.04828	1.5
186.03218	1.5
192.03937	1.3
193.05246	2.1
235.03009	1.2
237.02876	1.2
242.93887	1.2
245.05099	1.3
246.05186	2.6
247.04922	1.2
313.72867	1.3
319.12503	1.1
330.44440	1.2
355.10159	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	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11871	2.6
53.03942	5.0
55.01876	4.3
55.05516	15.6
56.96555	4.5
57.03439	6.1
60.48883	2.2
62.06092	100.0
64.40549	2.1
67.05508	34.0
69.03434	8.5
69.07068	16.3
69.34544	24.2
72.08173	3.8
72.58782	2.3
79.05488	21.3
81.03413	9.9
81.07059	51.3
81.81189	2.4
83.05003	6.1
83.08610	5.1
85.02908	4.1
91.05460	18.4
93.07043	17.6
95.04947	8.0
95.08612	17.6
97.06541	8.2
98.20719	4.3
99.08070	2.8
105.07050	14.4
107.04948	5.1
107.08611	16.9
109.06476	4.2
109.10154	14.0
111.08083	6.5
117.07047	5.4
119.08600	11.2
121.10159	10.1
123.08009	3.3
123.11744	7.0
125.09636	3.4
129.06998	4.8
130.04994	2.4
130.71893	2.3
131.08580	6.0
133.10126	9.6
135.08061	4.2
135.11719	7.2
137.02362	6.2
137.05984	6.8
137.09648	3.8
143.08591	3.8
145.10150	9.1
147.08067	2.5
147.11670	11.9
149.09648	5.0
149.13249	3.6
151.11174	2.7
157.10149	6.9
159.11726	5.1
163.03955	3.3
163.11147	3.1
163.14862	3.1
165.12738	4.4
171.11650	3.9
193.04942	2.5
201.05670	2.6
213.16423	2.5
224.16432	3.9
226.18028	3.2
229.14270	3.3
238.18022	74.0
239.18336	4.4
243.33797	2.6
256.19080	6.1
275.20160	6.1
276.93350	2.7
278.21362	5.8
283.06027	7.2
299.05585	5.2
299.11792	3.6
306.24310	18.2
318.24313	25.4
324.25351	8.0
336.25269	10.8
337.10809	5.7
354.10654	4.8
354.19083	3.4
354.25595	2.9
354.29541	4.1
355.11768	19.2
355.15698	5.1
355.22678	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.5
55.01871	4.6
55.05519	7.7
56.96560	1.3
57.03435	5.3
61.28671	1.1
62.06088	100.0
67.05500	17.7
68.05859	1.4
69.03426	5.0
69.07067	8.7
70.27621	3.8
71.04992	4.2
79.05489	18.4
80.05841	1.2
81.03410	7.3
81.07054	23.4
82.06597	1.5
82.71336	1.1
83.04971	3.3
83.08610	3.4
85.02902	1.5
85.06540	2.5
91.05476	14.3
93.07037	18.6
95.04979	5.4
95.08604	13.6
97.02891	1.6
97.06543	4.5
97.10204	1.4
98.06065	3.9
99.04478	2.7
99.08093	2.0
105.07018	14.2
107.04967	3.4
107.08599	11.9
108.08883	1.3
109.02876	2.7
109.06525	3.0
109.10143	6.9
111.08082	6.4
117.07026	4.5
119.08596	8.9
121.06541	1.2
121.10133	11.9
123.04390	1.4
123.08016	2.3
123.11708	2.6
124.11242	1.3
125.09696	1.5
129.07011	2.3
131.08572	6.2
133.06528	1.5
133.10104	6.4
135.08072	1.9
135.11681	2.8
137.02361	2.1
137.06027	3.0
138.09084	1.3
138.12732	7.5
141.07016	1.5
143.08543	2.5
145.10133	5.5
147.11679	7.7
149.09610	4.3
151.11223	1.6
157.10115	2.7
159.11723	3.6
161.13257	2.4
163.03951	1.4
163.11234	2.4
165.01823	2.4
165.12738	1.7
167.07051	1.4
171.11653	3.2
173.13306	3.8
175.07559	1.1
175.11292	2.0
177.12906	1.5
182.15479	1.6
183.02986	1.4
183.13773	1.4
184.42778	1.1
185.13329	2.7
187.14819	1.9
196.13435	2.1
201.05518	2.9
210.14890	12.2
211.13210	1.4
214.14421	1.4
226.17920	2.8
228.15973	13.1
239.18005	1.8
248.20049	2.2
257.19034	2.2
266.21240	4.0
275.20087	11.4
280.22778	2.5
293.20959	1.6
299.05490	37.4
300.05963	1.4
318.24237	10.7
323.12747	1.5
336.25320	82.8
337.25470	4.9
354.10471	11.1
354.14392	2.1
354.26178	20.9
355.11810	7.2
355.15527	2.6
355.22540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06593	2.3
55.01873	3.6
55.05510	12.8
55.94810	2.3
56.96552	5.2
57.03444	4.8
60.12296	2.4
62.05791	5.8
62.06092	100.0
66.92638	2.4
67.05511	23.4
69.03415	7.4
69.07078	17.5
70.06602	4.2
71.04996	5.7
71.60693	4.0
73.02882	3.0
79.05487	19.0
81.03426	4.6
81.07066	39.1
81.54821	2.4
83.04986	4.1
83.08626	7.8
85.02939	2.7
85.06544	5.3
86.09714	15.9
91.05460	17.8
93.07050	18.2
95.04961	10.9
95.08615	18.7
97.06535	7.0
97.10152	2.9
98.06036	7.2
98.69693	2.7
99.08083	3.2
105.07026	18.6
107.04952	7.3
107.08590	10.1
109.06519	17.6
109.10146	8.1
111.04420	2.7
111.08064	3.4
115.58935	2.3
116.99413	2.8
117.07010	3.4
119.08605	19.2
121.06532	4.2
121.10132	6.4
121.38414	2.7
123.08040	9.1
123.11723	4.0
131.08546	7.4
133.10146	5.8
137.09625	2.9
143.08612	4.6
145.10100	8.3
146.11723	3.4
147.11639	14.3
153.01796	5.3
159.11661	4.6
161.13309	4.7
165.12753	2.7
171.11662	2.8
175.07466	3.6
189.12617	3.5
208.16913	3.3
224.19839	2.5
226.17947	3.5
236.16454	3.5
250.17957	14.2
250.66953	2.7
256.26218	8.7
266.21109	3.1
268.19052	12.4
275.20139	5.1
276.19571	5.0
280.22815	3.0
285.00937	4.1
286.20123	8.2
294.20645	3.7
295.20627	2.9
302.06693	3.0
309.18515	2.8
318.17773	2.9
318.24310	35.6
319.24655	3.0
336.25339	20.2
354.26538	25.2
355.11676	6.4
355.26410	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	354.2638
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
50.62186	0.6
55.01871	1.5
55.05512	5.5
55.92303	0.6
56.96554	0.9
57.07063	0.7
62.06091	62.7
67.05508	6.3
69.03434	2.1
69.07068	6.7
69.27448	5.0
69.27863	2.4
70.04073	4.9
71.08633	10.9
79.05492	6.5
81.03416	1.3
81.07064	7.2
83.04982	1.0
83.08614	1.9
84.16694	0.8
85.06519	0.7
91.05484	2.9
93.07050	5.6
95.04961	2.8
95.08604	4.6
97.06548	0.8
97.10162	2.1
98.06039	1.4
99.08102	5.3
105.07041	2.9
107.04958	2.5
107.08592	3.0
108.05707	0.7
109.06521	1.5
109.10155	1.5
117.03310	0.7
119.08570	1.8
121.06528	4.3
121.10164	0.9
123.08084	0.9
124.11234	3.3
125.09566	0.7
131.08549	2.0
133.10173	1.3
135.08058	0.8
135.11755	0.8
137.02388	0.7
143.08638	0.7
145.10202	1.2
147.11708	1.1
149.09602	0.6
151.11212	1.2
152.07082	0.8
161.17702	0.7
170.11801	0.8
177.12770	2.8
196.13336	8.7
214.14442	5.6
238.17992	3.4
256.19000	1.1
275.20041	3.8
293.21112	19.7
293.24274	1.2
294.21185	0.9
299.05490	8.8
308.25858	1.3
318.24283	10.6
319.87891	0.7
336.25336	100.0
337.17416	1.2
337.25702	4.3
354.10580	1.6
354.26395	5.5
355.11801	1.0
355.18561	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	354.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
54.73673	1.0
55.01865	3.7
55.05498	3.8
56.96561	2.3
57.03436	1.2
62.06079	1.9
62.43755	1.1
67.05504	7.5
69.03419	4.4
69.07062	15.0
71.04655	1.0
71.05018	14.3
71.05413	2.8
73.06867	1.0
79.05484	13.9
81.03413	5.6
81.07054	11.4
83.04974	4.6
84.04536	1.5
85.06538	4.9
86.09706	100.0
88.04003	1.3
91.05456	12.8
93.07037	12.9
95.04957	7.2
95.08598	5.0
97.02898	1.5
97.06519	3.6
99.04466	1.3
99.08074	2.6
103.05490	1.4
105.03416	1.2
105.07032	15.9
107.04959	4.8
107.08591	17.0
109.02876	2.6
109.06503	3.7
109.10124	2.4
111.04449	4.5
115.05454	2.2
117.07018	4.1
119.04925	1.4
119.08585	12.7
121.06486	4.8
121.10140	11.4
123.04440	2.3
123.08050	1.9
123.11720	3.4
127.03896	3.6
128.10672	4.0
129.06996	4.6
130.07707	1.4
131.04938	2.2
131.08568	20.8
133.02831	3.7
133.06465	1.9
133.10152	3.1
134.10555	1.2
135.04408	2.7
135.08041	3.1
135.11710	2.3
137.05983	8.1
137.09639	5.9
145.06461	3.3
145.10115	10.7
146.11757	38.1
147.04391	1.9
147.08060	6.2
147.11668	6.9
149.05974	1.9
149.09627	35.9
150.06686	1.3
151.03786	1.4
153.05475	1.5
155.08536	2.2
156.10219	1.4
159.11633	1.3
161.02399	1.4
161.06061	1.7
163.03889	3.1
163.07500	1.7
163.11176	11.2
165.09142	5.2
165.12724	4.2
167.07040	2.0
167.10686	47.1
167.12105	2.6
168.11002	1.9
173.09650	7.0
175.03926	1.5
175.07524	1.7
175.11290	1.1
177.05447	2.4
179.10640	1.3
181.12329	1.1
191.06998	2.2
191.10680	27.4
192.07399	1.7
193.04962	4.2
193.08568	1.7
193.12296	1.2
201.05446	5.8
205.06500	1.1
206.15575	1.6
207.08075	1.2
209.11725	30.4
210.14890	4.3
234.06743	2.4
235.07631	2.1
238.14514	1.5
258.18469	2.5
276.19617	16.8
277.08575	1.8
280.48340	1.5
293.08105	1.8
294.20587	13.0
295.09467	2.2
318.20691	2.1
322.08047	2.1
322.20068	4.2
323.09122	2.4
325.10431	1.2
336.21722	7.5
337.10492	2.2
354.10544	4.1
354.14407	2.1
354.22589	7.1
354.26392	1.2
355.07739	2.2
355.11682	6.0
355.15521	1.8
355.22815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05509	0.5
56.05039	0.3
56.96565	0.2
61.02926	0.3
61.94528	0.2
65.03955	0.3
67.05495	0.4
69.03416	1.1
69.07072	0.3
70.06594	1.1
71.59919	0.3
71.60289	0.3
72.08157	1.7
78.04713	0.2
79.05486	0.3
81.03421	0.3
83.04980	0.8
84.08141	0.9
85.02921	2.0
86.09710	0.5
87.04420	0.2
91.05452	1.0
93.03420	0.2
95.04948	0.2
97.02905	0.9
97.06509	0.2
100.91975	0.2
105.03392	0.6
106.04185	0.5
107.04952	0.4
107.29122	0.2
109.02877	0.4
110.07155	0.4
111.04455	0.9
117.03392	0.3
119.04938	0.9
120.08140	0.6
123.04440	0.4
127.03914	0.6
129.05428	0.4
130.04938	0.2
130.06602	0.3
132.05618	0.9
133.02846	0.7
133.06358	0.5
134.03658	4.6
134.05966	0.3
134.07088	0.4
135.04401	0.9
136.07677	0.2
139.03893	0.3
145.02847	0.7
147.04367	1.0
148.04802	0.2
151.03844	0.3
157.04956	0.2
160.05064	100.0
161.05388	0.8
162.03128	1.8
162.05458	0.2
163.03893	3.1
163.05197	0.2
165.05560	0.2
173.06113	0.2
175.03951	0.8
177.05502	0.3
179.03377	0.8
180.03970	1.4
192.07677	97.0
193.04932	0.4
193.08009	0.8
201.05501	0.3
207.06424	1.0
354.13031	2.3
361.24368	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03938	3.9
55.05502	12.6
57.03444	4.7
57.07070	7.4
65.03946	4.8
67.05504	97.5
69.07063	12.4
69.40924	6.7
69.41333	15.1
71.08646	6.6
79.05495	66.2
79.05960	3.0
81.07060	100.0
83.04973	2.7
83.08617	5.9
85.06544	4.1
91.05484	29.2
93.07047	66.2
95.04969	4.1
95.08604	77.6
97.10169	4.8
99.08112	6.5
105.07024	23.4
107.08598	38.2
109.06532	2.7
109.10137	31.7
109.10805	2.4
113.01020	2.7
113.09643	2.8
117.07043	12.5
119.08566	11.6
121.10146	35.5
123.08102	2.3
123.11700	16.9
131.08585	23.6
133.10107	11.1
135.11690	28.5
137.13246	8.2
143.31546	2.3
145.10138	20.4
147.11702	10.5
149.13257	24.6
151.14798	4.9
159.11685	12.8
161.13260	15.1
163.14821	19.5
173.13245	19.9
177.12628	2.6
177.16428	7.1
187.14883	10.4
201.16345	3.2
205.15860	3.7
233.18951	2.6
233.22751	7.3
243.21089	34.2
244.21500	2.5
261.22144	86.0
279.23190	6.0
331.02402	3.4
335.25827	11.9
351.95963	2.6
353.10144	4.3
353.26910	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01865	3.6
55.05513	23.1
56.96559	2.2
57.03440	4.5
57.07066	4.7
59.04989	3.0
59.56705	1.3
63.67806	1.2
65.03924	2.1
67.05504	26.6
68.00874	1.4
69.03432	8.0
69.07066	31.4
70.17536	2.6
70.17942	5.7
71.04993	5.3
71.08647	1.7
79.05492	22.3
81.03424	2.6
81.07054	100.0
83.04979	8.8
83.08618	10.3
84.04471	1.5
85.02899	3.3
85.06533	8.3
86.19748	1.3
91.05473	27.7
91.06010	2.1
93.03372	1.3
93.07041	31.8
95.04961	8.3
95.08605	38.3
97.02913	2.3
97.06532	6.5
97.10166	3.1
99.04469	2.0
99.08095	43.1
101.06022	1.5
103.05450	2.0
105.03393	2.2
105.07027	46.7
107.04964	3.6
107.08591	33.0
109.02856	2.3
109.06521	20.4
109.10153	42.6
110.42580	1.2
111.08090	5.5
111.11716	7.1
113.09641	1.3
115.05451	1.9
115.07575	1.7
117.07009	5.0
119.04922	3.7
119.08575	28.9
121.06506	4.7
121.10136	17.3
122.33971	1.3
123.04406	1.5
123.08048	10.8
123.11706	12.8
125.09650	3.9
127.03925	2.0
127.07566	6.1
127.11176	5.7
128.06218	3.0
129.07019	2.7
131.08562	7.3
133.06502	3.6
133.10144	15.7
135.04390	1.8
135.08055	5.2
135.11690	17.6
137.02406	1.6
137.05983	2.0
137.09634	11.0
137.13243	5.2
139.11186	5.7
143.08553	5.1
145.10136	11.7
147.04442	2.0
147.08051	2.8
147.11682	26.4
149.05930	1.4
149.09634	5.7
149.13258	6.5
151.07529	3.0
151.11191	13.4
153.12762	2.9
155.08543	1.9
156.09305	1.4
157.10144	2.5
159.11671	8.7
161.05988	2.4
161.09630	1.6
161.13249	41.9
163.03932	2.0
163.07561	2.5
163.11169	4.0
163.14822	7.6
165.12749	12.0
167.07059	6.6
167.10683	1.3
169.10149	2.3
171.11644	7.1
173.13274	3.6
175.03975	4.5
175.11282	2.8
175.14821	2.3
176.04639	1.8
177.05469	4.6
177.12804	3.7
179.08565	1.9
179.14281	11.8
181.12337	1.6
185.13275	2.8
189.12764	9.7
189.16347	1.9
191.03374	1.9
191.06995	14.7
191.10689	4.3
191.17967	4.6
193.10606	1.6
193.12231	8.2
199.07617	1.8
199.14806	1.8
201.16412	6.0
205.15797	1.8
207.06517	6.5
207.13795	33.7
207.17406	3.4
209.19113	2.6
215.08667	1.6
215.17841	1.4
219.17442	6.6
223.14720	1.8
225.14723	1.9
225.16609	2.0
229.14410	3.7
233.09642	3.7
235.07526	2.9
235.13277	2.1
237.18518	16.8
243.15944	11.4
246.06548	1.3
248.08160	1.3
255.19672	6.0
261.09180	3.6
277.08737	2.0
278.09430	1.7
279.09991	1.4
281.22693	2.8
289.08603	3.1
289.25366	2.2
292.07251	1.6
293.11676	2.5
293.23102	2.4
299.05551	4.7
299.23737	5.6
303.10446	1.5
307.09619	2.0
307.26083	1.9
317.24744	13.3
321.07785	2.4
321.11078	7.0
323.05487	1.8
335.09250	11.5
335.25830	25.1
337.07059	1.6
353.06036	3.3
353.10175	33.0
353.14084	9.9
353.23270	1.9
353.27631	1.7
354.10556	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.62027	0.5
53.03945	1.6
55.01866	1.0
55.05507	14.1
57.03437	6.4
57.07074	3.6
65.03945	4.1
67.05503	96.2
69.07065	14.4
69.60387	3.6
69.60789	1.6
71.05000	3.2
71.08628	1.7
71.67610	0.8
75.04473	2.1
77.03947	0.7
77.56794	0.7
79.05490	44.1
81.07055	100.0
83.04979	1.3
83.08604	7.4
85.06552	3.3
91.05480	20.5
93.07042	54.0
95.04972	3.3
95.08604	78.7
97.06530	3.4
97.10180	3.7
99.08102	2.4
105.07025	18.1
107.08593	36.1
109.06502	1.6
109.10153	38.2
111.08071	2.2
111.11705	1.2
112.59241	0.7
113.09632	1.6
117.07011	8.4
119.08570	14.3
121.10140	32.5
123.08070	1.6
123.11707	21.3
125.09640	1.1
131.08572	18.5
133.10120	12.7
135.10678	1.3
135.11691	26.5
137.09615	1.8
137.13263	7.5
139.11208	1.3
143.08603	0.9
145.10130	14.1
147.11684	11.5
149.02290	0.7
149.13240	19.3
151.11169	1.8
151.14777	2.2
153.12764	1.7
154.44405	0.7
159.11699	12.5
161.13254	9.5
163.11212	1.1
163.14836	9.3
165.12738	2.0
173.13254	15.4
175.14769	2.6
177.12833	1.4
177.16360	3.8
179.14288	1.3
187.14824	10.1
191.14307	1.8
193.04956	1.2
196.71024	0.8
201.16333	2.7
205.15855	2.4
215.17900	1.8
219.17421	1.6
223.16830	0.8
233.22630	3.5
237.18320	0.8
243.21080	21.5
257.07620	0.7
261.22134	86.6
262.22375	2.1
266.86707	0.7
279.23178	7.7
335.25827	11.2
353.10193	0.9
353.26852	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10904	1.5
53.03938	2.5
54.92875	1.4
55.05511	14.9
57.03439	5.2
57.07064	6.6
65.03938	2.2
67.05502	83.6
69.07072	12.5
69.53708	3.9
69.54124	8.9
71.04976	1.6
71.08643	1.8
74.35157	1.4
79.05495	44.0
81.07058	89.5
83.08634	7.7
85.06519	2.0
91.05481	24.9
93.04830	1.6
93.07040	58.0
95.04978	3.6
95.08607	67.4
97.06543	1.8
97.10168	3.2
99.08090	2.2
105.07053	16.9
107.08595	35.1
108.80191	1.7
109.06499	2.3
109.10160	29.0
111.08086	3.0
117.07020	8.7
119.08594	13.8
121.10137	30.8
123.11703	20.9
125.09617	2.0
131.08574	23.2
133.10143	14.6
135.11691	26.8
137.13268	7.0
145.10114	13.9
147.11699	8.1
149.13255	21.2
153.12799	1.9
159.11711	17.4
161.13264	10.5
163.14859	11.4
173.13275	15.0
175.14784	4.1
177.16417	6.1
179.14201	2.3
187.14763	8.4
201.16429	3.9
233.22638	5.5
243.21060	23.5
261.22144	100.0
279.23337	3.9
335.25809	5.3
353.26907	22.4
378.97568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05508	13.6
57.03431	5.9
57.07065	4.4
58.82296	1.9
61.50523	1.6
62.39654	2.0
65.03925	3.4
67.05508	100.0
69.07070	11.5
70.85703	6.4
71.04993	4.1
75.04538	1.8
79.05502	37.8
81.07060	94.1
83.08606	5.9
85.06555	2.3
91.05486	16.4
93.07047	46.9
95.04972	3.5
95.08611	67.7
97.06556	2.3
99.08089	2.2
105.07018	14.2
107.08607	31.8
109.06480	2.5
109.10161	39.8
114.96741	2.3
117.07015	8.4
117.52013	2.0
119.08595	13.4
121.10154	30.0
123.11700	22.4
131.08559	19.4
133.10139	12.0
135.11691	27.4
137.13255	7.4
145.10132	9.5
147.11693	11.9
149.13272	14.4
159.11725	14.4
161.13255	8.1
163.14819	12.0
173.13309	15.1
177.12711	2.6
177.16380	4.0
187.14879	11.4
194.99802	1.9
201.16399	2.5
233.22740	2.6
243.21152	17.9
261.22159	86.4
264.18994	2.0
279.23221	5.5
320.01923	2.2
335.25803	9.5
353.26761	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	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.5
57.03435	3.5
57.07069	6.8
65.03950	2.7
67.05508	81.9
69.07058	9.6
70.86349	1.8
71.04961	2.2
71.08635	2.4
74.66032	1.9
79.05066	2.8
79.05499	46.0
81.07061	87.7
81.32529	1.5
83.08631	8.0
85.06551	2.9
91.05485	20.7
93.07045	58.0
95.04967	4.7
95.08609	63.6
97.06529	1.5
97.10173	4.2
98.21522	4.1
99.08140	2.0
105.07039	16.4
107.08610	30.8
109.10152	32.7
111.08081	2.5
117.07043	5.5
119.08587	13.7
121.10147	29.4
123.11713	16.5
131.08575	18.0
133.10132	13.7
135.11697	24.0
137.13251	6.3
139.11214	2.0
139.27342	1.6
145.10130	16.2
147.11693	9.6
149.09444	1.7
149.13266	18.4
151.14845	3.2
153.12758	1.8
159.11713	15.5
161.13271	9.0
163.14810	11.0
165.12816	1.6
173.13281	16.6
175.14854	2.4
177.16321	3.9
179.14330	2.1
187.14822	10.5
191.14236	2.8
201.16302	3.5
233.22638	3.5
243.21089	20.6
261.22147	100.0
279.23138	4.0
335.25851	6.1
353.26923	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	13.2
57.03428	5.4
57.07068	5.9
57.91684	1.5
65.03925	3.2
67.05504	89.7
69.07068	12.8
70.22806	5.2
71.04984	1.7
71.08622	2.1
79.05060	3.4
79.05494	47.0
81.07056	87.8
83.08614	6.4
85.06543	3.1
91.05486	22.7
93.07046	55.4
94.43226	1.5
95.04991	2.0
95.08605	62.0
97.06541	3.0
97.10181	2.2
99.08112	2.0
105.07029	19.4
105.08630	1.5
107.08591	40.3
109.06496	2.2
109.10149	35.8
117.07005	11.1
119.08581	15.2
121.10139	30.7
123.11712	20.4
131.08572	22.4
133.10127	12.5
135.11679	27.9
137.13258	7.5
145.10127	16.2
147.11714	10.4
149.13239	22.5
151.14934	2.5
153.12759	1.8
159.11705	17.6
161.13269	8.4
163.14851	11.6
165.12756	1.7
173.13283	15.6
175.14842	2.8
177.12770	1.5
177.16431	3.9
187.14810	8.8
201.16385	3.4
212.57697	1.7
215.18053	3.0
233.22636	4.8
243.21062	21.0
261.22137	100.0
279.23419	4.4
299.05496	4.1
335.25827	6.6
353.10144	21.3
353.26959	25.1
354.10504	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65408	2.7
53.03934	4.3
55.05506	18.4
56.05040	3.9
57.03423	5.0
57.07063	7.1
61.02920	3.9
63.70844	3.0
65.03938	3.9
67.05501	95.7
69.07068	22.9
69.86882	17.2
78.24123	3.3
79.05487	50.0
81.07051	100.0
83.04952	3.6
83.08606	14.3
84.08144	3.6
85.06503	4.0
91.05477	36.6
93.07040	72.4
95.05001	3.5
95.08047	5.3
95.08607	73.8
97.06541	5.7
97.10157	6.8
98.20770	4.4
99.08072	5.1
105.07035	25.0
107.08591	43.2
109.10140	36.8
111.08096	3.5
116.98636	2.7
117.07012	14.8
118.27489	2.7
119.08582	23.3
121.10133	37.5
123.08015	3.7
123.11684	17.2
123.64060	3.0
129.07004	7.4
131.08556	34.3
133.10153	20.2
135.11681	26.7
137.09665	3.9
137.13237	5.6
141.06973	8.3
143.08563	8.5
145.10143	16.5
147.11685	12.3
149.13222	26.4
154.12279	13.1
155.08521	7.9
157.10118	5.9
159.11665	16.7
161.13255	14.9
163.14807	16.5
169.10129	8.3
171.08034	4.2
171.11746	3.0
171.14949	4.6
173.13202	16.0
175.14796	4.0
177.16388	7.4
183.11697	6.4
185.13167	4.5
187.14825	11.7
195.11632	3.8
229.07501	10.0
233.22667	6.3
243.21101	31.0
247.08513	5.1
261.22153	82.5
279.23172	6.1
335.23056	3.8
335.26138	4.4
353.10342	5.4
353.24548	57.0
362.89066	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	2.5
55.05510	14.8
57.03429	5.6
57.07066	4.0
62.14732	1.3
65.03929	2.9
67.05505	99.1
69.07065	13.5
71.04989	2.0
71.28389	1.2
79.05497	42.3
81.07056	100.0
83.04980	1.5
83.08606	7.4
85.06532	2.4
91.05481	17.9
93.07042	53.7
95.04953	2.9
95.08609	75.2
97.06521	3.9
97.10183	3.9
99.08111	2.5
105.07023	18.6
107.08594	36.4
109.06521	1.8
109.10154	43.0
111.08104	1.8
113.09653	1.5
117.07012	10.1
119.08571	16.9
121.10155	28.4
123.11702	20.8
131.08569	19.1
133.10136	17.1
135.11691	25.7
137.13274	8.2
145.10107	13.7
147.11691	10.9
149.13251	22.1
149.14369	1.5
151.14825	3.6
153.12727	1.3
159.11690	16.3
161.13284	8.6
163.14818	11.2
165.12781	1.5
172.13979	1.3
173.13300	14.4
175.14845	3.3
177.12854	1.5
177.16437	3.9
179.14264	1.4
187.14790	7.6
190.13284	1.3
191.14223	1.6
201.16496	1.8
215.18138	1.5
233.22708	3.3
235.46542	1.4
243.21086	20.1
261.22137	93.8
262.22540	1.5
279.23218	4.9
335.25812	13.3
353.26852	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03964	2.4
55.05513	19.8
56.96562	4.8
57.03436	5.6
57.07075	3.0
61.02956	3.3
65.03313	2.3
65.86738	2.1
67.05505	92.3
69.03437	4.2
69.07073	14.4
71.04992	4.7
71.60401	2.7
79.05496	47.1
81.07059	100.0
83.04961	2.4
83.08617	9.8
91.05473	19.1
93.07050	56.1
95.04962	5.5
95.08611	68.6
97.06540	3.7
97.10151	4.8
99.08065	3.3
100.39993	1.9
105.07050	21.4
107.08598	34.3
109.06552	4.8
109.10162	40.8
111.08101	3.7
117.07020	8.3
119.08579	18.2
121.10146	31.7
123.08061	5.5
123.11711	22.5
125.09659	2.3
129.07001	3.0
131.08556	23.0
133.10152	17.8
135.11685	23.6
137.13266	8.0
141.07036	3.0
143.08586	4.1
145.10130	17.8
146.80070	2.2
147.11685	13.9
149.13257	21.3
151.11205	3.4
151.14783	2.6
157.10133	4.4
159.11685	15.0
161.13261	9.9
163.14812	11.1
169.10075	2.5
171.11697	2.9
173.13318	13.9
175.14838	3.3
177.16412	4.9
179.14345	3.0
183.11768	3.8
187.14838	7.5
191.14323	2.5
197.13258	3.6
207.11578	2.3
213.12871	4.4
233.22665	2.6
243.21077	21.5
249.70990	2.4
250.90807	2.1
261.22147	83.3
279.23230	5.2
335.26340	10.3
352.65668	2.7
353.10254	7.2
353.24863	16.4
353.26984	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	353.1021
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
51.38593	0.3
55.01865	0.5
55.05501	0.9
56.96546	0.7
57.03426	0.8
65.03927	0.7
67.05509	2.3
67.44390	0.4
69.03430	1.9
69.07079	2.3
71.60141	0.3
78.63672	0.3
79.05494	2.0
81.03407	0.9
81.07049	3.6
83.04986	0.3
83.08613	0.6
85.02889	0.9
85.06528	0.5
89.03913	0.4
91.05482	2.7
92.99769	0.6
93.07049	1.9
95.01356	0.4
95.04942	1.0
95.08606	2.0
97.02903	0.6
97.06560	0.5
103.05446	0.6
105.03358	1.2
105.07012	2.7
107.04960	1.3
107.08598	1.7
109.02901	0.5
109.06506	1.1
109.10152	1.2
110.28307	0.3
111.04418	0.4
111.11712	0.7
115.05461	0.6
117.03379	0.5
117.07037	0.9
119.04915	1.3
119.08582	1.1
120.02065	0.5
121.02861	0.4
121.06544	0.5
121.10134	1.7
123.04412	0.5
123.08067	0.5
123.11684	0.9
125.06030	0.6
127.03899	0.6
129.06984	0.6
131.04951	0.7
131.08536	0.7
132.05675	0.4
133.02852	0.3
133.10107	0.8
135.04405	1.4
135.08020	0.6
135.11729	0.7
137.02406	1.8
137.09673	0.5
139.11095	0.6
141.01855	0.6
141.06958	0.4
142.07816	0.3
143.08536	0.5
145.02834	0.8
145.06494	1.0
145.10114	1.3
147.04411	0.8
147.08102	0.4
147.11678	1.0
148.05148	0.4
149.02330	0.6
149.09645	0.6
151.03894	0.7
153.01773	0.6
153.06947	0.6
155.08423	0.4
155.32278	0.3
157.10161	0.5
158.07404	0.4
159.08047	0.6
159.11700	0.4
161.02357	1.3
161.05969	0.8
161.13210	0.7
163.03885	0.9
163.07596	0.5
163.11153	0.8
165.01833	1.4
165.05548	0.4
165.06888	0.3
167.03476	0.6
167.07060	2.8
169.06355	0.4
169.10225	0.4
171.11594	0.5
173.06004	0.6
173.09644	0.4
173.13292	0.4
175.03893	1.2
176.04546	0.5
176.14333	0.3
177.01851	1.9
177.05493	2.0
179.03427	0.5
181.06544	0.4
181.10103	0.4
183.02893	1.3
183.08035	0.4
185.13257	0.4
187.07549	0.4
190.02505	0.4
190.07794	0.7
191.03384	1.1
191.07054	3.5
191.08653	0.5
191.10667	1.1
197.05974	0.6
198.06683	0.4
199.07591	0.9
200.04626	0.3
201.05479	0.8
201.09100	0.4
203.08595	0.6
205.10237	0.5
207.06505	1.4
208.03600	0.5
208.45605	0.3
209.06987	0.4
211.07629	0.4
213.05484	0.3
215.08644	0.5
218.07298	1.2
219.06371	0.7
219.08235	0.5
225.05475	0.6
227.07047	0.6
227.12706	0.4
232.08871	0.3
233.09587	1.4
235.07582	0.9
237.05400	0.8
241.04913	0.6
242.05591	0.4
246.06660	0.6
247.07607	0.8
250.06229	0.9
251.07140	0.6
251.10681	0.4
255.06456	1.2
260.08231	0.5
261.09149	2.5
263.06979	0.4
263.14169	0.4
264.07562	0.4
265.04968	1.3
265.08853	0.4
267.06680	0.4
269.04504	0.7
271.05963	0.6
272.14664	1.2
272.64847	0.6
277.08600	0.5
278.09512	0.4
279.06653	0.6
279.10117	0.6
283.06039	4.3
287.05463	0.6
289.08441	1.7
292.07349	0.8
293.08420	0.4
293.11688	0.8
295.06015	1.0
297.04010	0.6
297.07626	0.9
297.11182	0.8
299.05505	21.8
300.05823	0.7
306.05319	0.3
306.08731	0.5
307.06320	0.4
307.09702	1.4
309.07773	0.6
310.04663	0.5
311.05481	5.8
311.09103	1.6
313.07092	0.7
317.08099	0.6
320.06796	0.4
321.07645	0.7
321.11212	2.9
323.05533	3.4
324.06277	2.9
325.07028	2.2
325.10724	1.9
332.85617	0.4
335.09171	5.9
336.09756	0.5
337.07043	2.8
338.07828	5.4
338.11691	0.6
353.10184	100.0
353.13727	3.8
353.72470	0.5
354.10507	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	353.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38593	0.3
55.01865	0.5
55.05501	0.9
56.96546	0.7
57.03426	0.8
65.03927	0.7
67.05509	2.3
67.44390	0.4
69.03430	1.9
69.07079	2.3
71.60141	0.3
78.63672	0.3
79.05494	2.0
81.03407	0.9
81.07049	3.6
83.04986	0.3
83.08613	0.6
85.02889	0.9
85.06528	0.5
89.03913	0.4
91.05482	2.7
92.99769	0.6
93.07049	1.9
95.01356	0.4
95.04942	1.0
95.08606	2.0
97.02903	0.6
97.06560	0.5
103.05446	0.6
105.03358	1.2
105.07012	2.7
107.04960	1.3
107.08598	1.7
109.02901	0.5
109.06506	1.1
109.10152	1.2
110.28307	0.3
111.04418	0.4
111.11712	0.7
115.05461	0.6
117.03379	0.5
117.07037	0.9
119.04915	1.3
119.08582	1.1
120.02065	0.5
121.02861	0.4
121.06544	0.5
121.10134	1.7
123.04412	0.5
123.08067	0.5
123.11684	0.9
125.06030	0.6
127.03899	0.6
129.06984	0.6
131.04951	0.7
131.08536	0.7
132.05675	0.4
133.02852	0.3
133.10107	0.8
135.04405	1.4
135.08020	0.6
135.11729	0.7
137.02406	1.8
137.09673	0.5
139.11095	0.6
141.01855	0.6
141.06958	0.4
142.07816	0.3
143.08536	0.5
145.02834	0.8
145.06494	1.0
145.10114	1.3
147.04411	0.8
147.08102	0.4
147.11678	1.0
148.05148	0.4
149.02330	0.6
149.09645	0.6
151.03894	0.7
153.01773	0.6
153.06947	0.6
155.08423	0.4
155.32278	0.3
157.10161	0.5
158.07404	0.4
159.08047	0.6
159.11700	0.4
161.02357	1.3
161.05969	0.8
161.13210	0.7
163.03885	0.9
163.07596	0.5
163.11153	0.8
165.01833	1.4
165.05548	0.4
165.06888	0.3
167.03476	0.6
167.07060	2.8
169.06355	0.4
169.10225	0.4
171.11594	0.5
173.06004	0.6
173.09644	0.4
173.13292	0.4
175.03893	1.2
176.04546	0.5
176.14333	0.3
177.01851	1.9
177.05493	2.0
179.03427	0.5
181.06544	0.4
181.10103	0.4
183.02893	1.3
183.08035	0.4
185.13257	0.4
187.07549	0.4
190.02505	0.4
190.07794	0.7
191.03384	1.1
191.07054	3.5
191.08653	0.5
191.10667	1.1
197.05974	0.6
198.06683	0.4
199.07591	0.9
200.04626	0.3
201.05479	0.8
201.09100	0.4
203.08595	0.6
205.10237	0.5
207.06505	1.4
208.03600	0.5
208.45605	0.3
209.06987	0.4
211.07629	0.4
213.05484	0.3
215.08644	0.5
218.07298	1.2
219.06371	0.7
219.08235	0.5
225.05475	0.6
227.07047	0.6
227.12706	0.4
232.08871	0.3
233.09587	1.4
235.07582	0.9
237.05400	0.8
241.04913	0.6
242.05591	0.4
246.06660	0.6
247.07607	0.8
250.06229	0.9
251.07140	0.6
251.10681	0.4
255.06456	1.2
260.08231	0.5
261.09149	2.5
263.06979	0.4
263.14169	0.4
264.07562	0.4
265.04968	1.3
265.08853	0.4
267.06680	0.4
269.04504	0.7
271.05963	0.6
272.14664	1.2
272.64847	0.6
277.08600	0.5
278.09512	0.4
279.06653	0.6
279.10117	0.6
283.06039	4.3
287.05463	0.6
289.08441	1.7
292.07349	0.8
293.08420	0.4
293.11688	0.8
295.06015	1.0
297.04010	0.6
297.07626	0.9
297.11182	0.8
299.05505	21.8
300.05823	0.7
306.05319	0.3
306.08731	0.5
307.06320	0.4
307.09702	1.4
309.07773	0.6
310.04663	0.5
311.05481	5.8
311.09103	1.6
313.07092	0.7
317.08099	0.6
320.06796	0.4
321.07645	0.7
321.11212	2.9
323.05533	3.4
324.06277	2.9
325.07028	2.2
325.10724	1.9
332.85617	0.4
335.09171	5.9
336.09756	0.5
337.07043	2.8
338.07828	5.4
338.11691	0.6
353.10184	100.0
353.13727	3.8
353.72470	0.5
354.10507	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	353.1018
Annotation	Anagyroidisoflavone B
Peak:m/z	Relative Intensity
51.20740	0.3
53.03936	0.4
55.01873	0.4
55.05502	0.9
56.96548	0.5
57.03427	0.4
57.07074	0.3
58.93896	0.2
59.02036	0.2
61.02921	0.3
63.15736	0.2
65.03941	0.6
67.05167	0.4
67.05502	4.9
69.07068	0.9
69.73383	1.6
71.04961	0.3
79.05491	2.8
81.03415	0.3
81.06574	0.3
81.07055	5.4
82.85711	0.3
85.02859	0.2
91.05486	1.5
92.99779	0.5
93.07030	3.0
95.04928	0.2
95.08604	3.6
97.06537	0.3
97.10178	0.5
105.03406	0.3
105.07039	1.3
107.04958	0.5
107.08593	1.9
109.06523	0.3
109.10163	1.6
111.08070	0.3
115.05450	0.2
117.03386	0.3
117.07015	0.6
119.08564	1.0
121.02872	0.6
121.10172	1.2
123.04374	0.4
123.11702	1.2
129.07021	0.5
131.08572	1.2
133.10127	0.8
134.03644	0.6
135.04425	0.6
135.11703	1.4
137.02350	0.9
137.13289	0.4
141.01854	0.3
141.06987	0.3
145.06436	0.6
145.10115	0.7
147.11676	0.8
149.02361	0.6
149.13254	1.0
151.03900	0.3
159.11703	0.4
161.02344	1.0
161.13249	0.4
163.03978	0.5
163.14824	0.6
165.01866	1.5
165.06926	0.2
167.03391	0.5
169.06442	0.3
171.11574	0.2
173.02350	0.5
173.13261	0.7
176.04739	0.3
177.01822	1.2
177.16278	0.2
179.03407	0.4
181.06528	0.6
183.02881	0.9
187.14853	0.6
190.02638	0.5
191.03439	0.3
191.07039	0.5
197.05923	0.4
199.07596	0.4
200.04720	0.3
201.05453	0.8
205.10196	0.3
207.13780	0.3
208.03667	0.5
209.05983	0.4
219.06522	0.8
223.11157	0.3
225.05470	0.3
227.07063	0.3
233.09747	0.6
237.05432	0.8
239.07086	0.3
243.06461	0.4
243.21165	1.4
245.04454	0.5
250.06149	0.3
253.04958	0.5
253.08685	0.3
255.06557	1.0
261.09265	1.1
261.22162	4.7
263.09689	0.2
264.07791	0.3
265.05014	0.9
265.08548	0.3
267.06458	0.3
269.08118	0.3
269.11661	0.3
270.05334	0.3
271.06073	0.4
278.06049	0.3
279.10107	0.6
279.23111	0.4
281.04373	0.4
281.07791	0.3
281.10635	1.2
281.17365	0.3
283.05997	3.6
286.04535	0.2
287.05533	0.5
289.08594	0.6
292.07355	0.6
293.04691	0.5
293.07980	0.5
295.06058	1.2
296.07050	0.3
297.07547	0.8
297.11093	0.5
299.05496	20.4
299.11511	1.2
300.05899	0.7
307.06216	0.4
307.09686	0.9
309.07285	0.4
310.04745	0.3
311.05475	4.8
311.09125	1.7
312.06046	0.2
313.07001	0.5
317.08084	0.3
321.07724	0.5
323.05518	3.8
324.06259	3.8
325.06976	2.0
325.10788	0.9
335.09146	5.8
335.25922	0.2
337.07007	2.7
338.07761	5.0
353.10178	100.0
353.26935	1.1
354.10486	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	353.0845
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.27655	1.9
69.79812	10.5
69.80233	5.2
85.02903	3.1
98.21511	2.8
111.09956	1.9
311.07065	2.1
353.08441	100.0
354.08871	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	352.2846
Annotation	Melophlin R
Peak:m/z	Relative Intensity
55.05507	2.5
56.05032	2.1
57.07058	0.4
62.06079	0.5
65.03918	0.2
67.05238	0.2
67.05510	2.3
68.26587	0.2
69.03434	1.1
69.07071	4.4
70.06584	0.3
71.04969	0.3
74.05676	0.4
74.06083	6.5
79.05495	3.3
81.07057	5.5
82.06578	0.5
83.04972	0.3
83.08617	0.9
83.96589	0.2
83.97153	0.2
85.06518	0.6
91.05486	2.5
92.05791	0.5
93.07044	4.2
94.06534	0.3
95.04956	0.3
95.08605	4.6
97.10154	0.5
98.06080	0.2
99.08080	0.7
100.07621	0.3
105.03368	0.2
105.07024	2.4
106.07342	0.3
107.08589	4.1
108.08129	0.4
108.08881	0.4
109.02850	0.2
109.06529	0.5
109.10148	1.3
110.23103	0.3
117.07037	0.3
118.90574	0.2
119.04933	0.8
119.08579	3.9
121.10114	2.3
122.10471	0.3
123.04451	0.3
123.11651	0.4
124.07588	0.8
125.09605	0.3
126.09158	0.3
128.10727	0.9
129.07088	0.2
131.08533	0.4
133.10138	2.6
135.08057	0.6
135.11688	1.8
137.13252	0.4
142.12274	2.0
143.09833	0.3
145.02899	0.2
145.10130	0.7
147.04399	0.7
147.11719	2.0
148.04752	0.4
149.13298	1.5
150.09116	0.5
151.11258	0.3
152.10686	1.5
161.09612	0.2
161.13268	3.4
162.12785	0.8
163.14818	1.0
166.12300	0.4
167.07011	0.4
173.13242	0.4
175.03931	0.5
175.14824	1.3
176.04236	0.8
177.05493	0.3
178.12355	0.4
180.13808	0.6
182.11790	0.3
187.14926	0.3
189.16426	0.3
191.07007	0.4
200.12923	0.4
205.19502	0.8
206.15404	11.1
207.06569	1.3
207.15805	0.4
208.06842	1.6
208.16959	3.4
217.19537	1.0
219.21124	0.4
222.18527	6.6
223.18710	0.2
224.20091	1.1
231.21054	0.4
250.17989	0.3
275.19781	0.3
282.20728	1.0
292.22668	0.5
320.26093	1.2
320.29059	0.2
334.27408	0.5
352.21518	3.3
352.28458	100.0
353.10156	0.5
353.14227	0.6
353.28802	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01852	1.9
56.05014	0.4
57.03413	1.3
57.07053	0.4
61.02905	1.4
64.45792	0.4
65.03934	0.8
67.05502	2.5
68.99767	1.7
69.03082	0.8
69.03429	9.7
69.07067	12.4
69.67264	3.2
70.06564	0.8
71.04975	1.1
72.08147	1.2
73.02888	1.2
79.05463	1.3
81.03423	5.7
81.07039	1.0
84.08127	1.1
85.02904	20.8
86.09675	1.9
87.00829	9.3
89.03929	0.6
91.05457	2.1
93.07043	1.1
95.04964	4.3
95.08579	0.5
95.53663	0.5
97.02888	11.9
97.06538	0.5
98.20798	0.5
99.04459	2.9
103.05443	0.4
104.68275	0.4
105.01867	18.5
105.93183	0.4
107.04955	3.4
109.02878	5.4
115.03912	0.5
117.03336	0.7
119.04919	1.6
119.08595	0.5
120.08099	1.1
121.02858	2.5
123.04430	0.6
123.08012	0.6
127.03919	16.3
128.04245	0.5
129.01828	0.7
131.08392	0.5
135.04425	6.6
137.02342	4.6
137.05956	1.1
143.05563	0.7
145.02901	1.1
145.04950	8.3
147.04384	0.9
148.04706	1.0
149.02296	1.1
159.02873	2.3
161.02333	3.7
163.03909	14.2
167.03427	0.6
167.11777	1.5
175.03877	1.3
176.04214	1.6
177.05452	1.1
179.03310	0.9
179.06995	0.6
179.08658	0.5
181.04974	7.4
189.03964	0.6
191.03395	8.8
195.08112	1.0
207.06534	1.7
208.06856	2.1
209.04382	2.1
209.12817	1.0
223.07619	0.6
231.04968	4.2
249.06070	1.8
251.07072	0.7
254.05620	0.6
255.06529	1.0
264.15912	0.6
269.08066	1.9
279.06546	1.3
282.05139	0.6
283.05994	2.0
295.05991	3.8
296.06796	1.2
297.07574	31.9
299.05508	0.7
307.06039	1.7
308.06348	0.7
309.06970	0.7
310.04858	2.3
311.05383	0.7
323.08771	1.7
324.06262	1.9
325.07056	85.2
334.24844	0.6
352.05481	0.6
352.09000	6.9
352.25784	0.9
353.06549	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01859	3.9
55.05509	18.9
56.96556	2.5
57.03422	7.1
57.07069	2.9
65.03922	2.8
67.05172	3.1
67.05503	43.3
69.03432	9.4
69.07068	15.5
69.42262	4.6
69.42680	10.2
71.04969	4.6
71.08630	3.1
75.04475	2.9
77.03889	2.0
79.05491	60.2
81.03426	2.9
81.07053	49.3
82.07327	1.6
83.04972	3.8
83.08616	7.8
85.06520	5.7
91.05476	67.8
91.37993	2.1
93.07039	83.1
94.07349	2.0
95.04948	8.7
95.08608	37.0
97.02907	1.7
97.06520	4.6
99.08080	3.8
103.05446	1.6
105.07025	63.6
107.05019	1.6
107.08591	46.4
108.08928	2.2
109.02899	2.3
109.06506	3.9
109.10152	15.2
111.08081	2.4
113.09639	2.7
115.05470	2.4
116.98634	2.0
117.07018	15.9
119.04946	11.2
119.08572	59.2
121.06474	2.3
121.09301	3.0
121.10132	35.1
121.11002	1.9
123.08083	2.2
123.11709	5.1
125.09604	2.4
127.03892	3.6
128.06207	2.8
129.05563	1.5
129.07018	8.8
131.08569	25.7
133.10126	51.9
134.05055	1.7
135.08017	1.6
135.11674	29.5
137.05904	3.8
137.09639	2.0
138.91698	1.6
142.07761	2.2
143.08566	10.9
145.10121	22.5
147.04417	9.0
147.07982	2.6
147.11679	49.5
149.09583	3.4
149.13249	22.5
151.11131	3.2
155.08549	2.8
157.10138	12.8
159.11682	21.9
161.13254	46.4
163.11147	2.2
163.14793	7.6
167.08569	2.1
167.12190	1.6
171.11679	16.2
173.13232	12.0
175.03917	17.5
175.11256	3.7
175.14807	18.9
177.12773	2.8
182.62926	1.7
185.13239	13.9
187.14746	3.3
189.12747	1.9
191.14360	1.7
197.13533	1.8
199.14824	7.4
203.10980	1.5
203.14319	4.0
207.06525	25.5
208.06918	2.9
213.16415	5.7
215.17897	2.4
217.19531	3.8
231.17445	2.5
231.21075	11.9
241.19521	42.7
259.20572	100.0
260.20825	3.8
277.21521	6.8
319.09717	1.7
333.20227	2.9
333.24252	2.2
351.11075	2.7
351.21561	10.4
351.25226	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01875	7.6
55.05509	29.4
57.03439	47.9
57.07074	5.5
66.58745	3.8
66.64692	3.9
67.05505	80.5
67.14223	3.6
69.03444	4.5
69.07061	20.6
69.26389	48.6
71.04981	4.7
79.05067	5.2
79.05500	65.3
81.07056	89.6
83.08620	19.4
85.06550	7.0
91.05484	54.9
93.07043	100.0
95.04950	11.7
95.08605	74.6
97.06539	6.7
98.20669	8.0
99.08089	7.0
105.07025	54.7
107.08599	60.4
109.06533	10.1
109.10165	23.2
111.08084	10.0
117.07036	12.4
119.08579	49.7
119.49677	4.0
121.10136	49.3
121.78344	3.9
123.11700	6.6
129.07007	7.6
131.08577	24.1
133.10139	38.1
135.11694	45.8
143.08620	8.9
145.10123	24.9
147.11702	43.2
149.09630	5.8
149.13306	21.9
157.10127	8.6
159.11707	20.7
161.13261	31.5
163.11238	5.0
163.14825	9.9
165.12761	5.2
171.11681	14.4
173.13257	7.8
175.14833	13.0
177.12833	5.9
185.13261	8.6
187.14859	6.9
199.14696	5.3
215.18005	5.0
216.30817	4.6
221.18976	4.7
241.19521	30.0
259.20566	64.5
277.21603	25.0
302.01343	3.9
333.24176	10.2
351.25284	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55044	1.3
53.03939	5.8
55.01861	5.5
55.05511	32.5
57.03190	1.9
57.03438	25.0
57.07078	7.0
62.80874	1.6
65.03928	3.8
67.05505	81.2
69.03407	3.0
69.07067	27.1
71.04980	5.8
71.08631	61.5
77.03887	1.3
78.72276	1.4
79.05492	69.0
81.03409	13.0
81.07053	79.3
83.04980	12.5
83.08618	17.8
84.04317	1.2
85.06529	6.3
91.04900	1.8
91.05479	48.4
93.07044	83.8
95.04968	14.8
95.08607	52.1
97.06520	12.3
97.10154	6.5
99.07481	2.7
99.08094	39.1
105.07028	35.5
107.04957	9.7
107.08595	44.6
108.60543	1.4
109.06514	5.6
109.10148	23.3
111.08072	5.6
113.09627	3.5
117.07042	7.9
119.08578	28.6
121.02674	1.7
121.06490	1.8
121.10142	37.0
123.08059	3.3
123.11678	3.4
125.09643	4.3
129.07002	4.2
131.08595	7.6
133.06416	1.6
133.09221	2.8
133.10127	26.7
135.08102	2.7
135.11696	45.0
137.09601	6.0
137.13235	1.7
141.09102	5.0
143.08539	4.2
145.10115	11.0
147.11694	17.0
149.13268	17.3
151.11183	21.7
153.12695	2.6
157.10153	3.9
159.11705	8.5
161.09631	1.9
161.13269	22.9
163.11180	9.2
163.14856	3.0
165.12766	3.9
167.10617	2.8
171.11678	5.8
173.13271	4.7
175.14798	4.8
177.12701	4.6
179.14308	100.0
180.14735	1.5
181.12140	1.6
181.19685	1.3
185.13261	4.8
187.14755	2.0
189.11191	1.6
189.12730	3.5
193.12254	2.3
195.13831	2.3
199.14783	2.9
203.14401	2.3
219.98987	1.4
221.15460	3.5
231.21037	1.5
235.16898	7.3
241.19516	7.9
259.20572	19.5
277.21600	43.2
296.09937	1.8
333.24051	2.2
351.25275	47.1
352.25766	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08207	1.3
53.03939	2.9
53.93504	1.2
55.05514	16.0
56.96544	1.2
57.03427	4.6
57.07071	2.9
65.03933	3.0
67.05509	40.5
69.07069	12.0
70.22165	3.6
71.04999	1.8
72.63538	1.1
75.04469	1.9
77.03902	1.9
79.05499	59.3
81.06585	2.4
81.07063	47.9
83.04990	1.7
83.08635	7.0
83.30517	1.4
85.06544	3.4
91.05485	57.2
93.07048	81.5
95.04965	6.3
95.08614	29.1
97.06513	3.2
97.10196	1.9
98.20905	1.9
99.08066	2.4
103.81390	1.2
105.07034	61.1
105.10942	1.1
106.07384	1.1
107.04981	1.3
107.08600	45.6
109.06515	1.7
109.10166	10.9
111.08112	1.1
117.07014	17.1
119.08585	59.0
121.06400	1.2
121.10142	35.4
123.08180	1.8
123.11710	3.2
125.09653	1.2
128.06213	1.7
129.07033	10.7
131.08574	26.2
133.10138	56.4
135.08035	2.2
135.11699	37.9
143.08571	10.0
145.10136	23.1
147.11696	52.2
148.12025	1.6
149.09637	3.0
149.13280	24.5
157.10161	10.6
159.11708	23.4
161.13260	37.7
163.11206	2.2
163.14845	5.8
165.12709	1.8
171.11688	14.1
171.24429	1.1
173.13315	10.6
175.11183	2.0
175.14859	15.1
177.12758	4.1
181.61443	1.2
182.72227	1.2
185.13315	12.1
187.14816	3.5
189.12669	2.3
199.14815	9.2
201.16460	1.7
203.14304	1.5
204.26006	1.2
213.16394	4.7
215.17928	1.3
217.15950	1.4
217.19443	1.9
231.17427	3.2
231.21034	8.8
232.21251	1.2
241.19524	37.4
242.19894	1.7
259.20581	100.0
260.20813	2.5
261.22177	1.2
277.21628	4.1
333.24200	3.8
351.18463	2.5
351.25320	63.6
352.25708	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01867	2.2
55.05263	1.6
55.05510	18.1
56.96571	2.2
57.03439	8.4
57.07068	3.3
65.03933	2.4
67.05502	49.6
69.03444	1.6
69.07064	17.4
71.04988	3.0
75.04475	3.4
79.05492	66.8
81.03394	0.8
81.07053	57.9
82.07360	1.1
83.04978	2.2
83.08614	8.3
85.06544	3.8
91.04901	2.0
91.05479	49.8
93.07042	100.0
95.04964	7.8
95.08607	40.7
97.06527	4.5
97.10155	3.0
98.20700	1.8
99.08098	4.1
103.05486	1.1
105.04529	1.7
105.07028	57.4
105.94228	0.8
106.07347	1.4
107.08590	52.3
109.06519	5.6
109.09448	1.7
109.10152	15.7
111.08117	2.1
113.09651	2.0
117.07016	13.3
119.08580	52.4
121.06534	1.3
121.10136	44.4
122.10486	1.5
123.08064	2.1
123.11694	4.2
125.09615	2.4
128.06223	2.1
129.07022	7.3
131.08556	19.4
133.06496	0.8
133.10132	48.2
134.10495	1.0
135.08076	2.6
135.11688	49.3
136.12009	1.0
137.09596	2.0
138.99211	0.9
140.00285	0.8
142.07718	1.3
143.08553	10.6
144.09250	1.2
145.10118	24.7
147.04410	1.0
147.08145	1.0
147.11682	48.5
149.09633	4.0
149.13254	26.8
151.11200	2.4
157.10109	9.0
159.11690	19.6
161.09618	1.0
161.13248	32.4
162.13629	1.2
163.11200	4.7
163.14809	8.5
165.12778	1.7
171.11687	14.3
173.13257	10.3
175.11177	2.0
175.14789	15.5
177.12787	3.6
177.16316	1.3
179.14345	1.3
185.13252	12.6
187.14813	3.8
189.12730	2.5
189.16374	2.2
191.14279	1.5
195.13792	1.1
199.14815	8.3
201.16479	1.7
203.14316	2.7
203.17856	1.0
207.06522	1.4
213.16357	5.0
215.17888	1.5
217.15910	2.0
217.19543	2.8
221.15492	1.3
231.17511	2.7
231.21013	7.4
235.16959	1.1
241.19508	30.6
242.19809	0.9
259.20569	93.5
260.21002	3.8
277.21564	13.7
289.21664	1.7
315.23468	1.1
333.24237	10.1
340.68234	1.0
351.18332	2.9
351.25314	64.8
352.25580	3.5
369.19257	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01861	9.8
55.05510	45.1
56.96571	16.9
57.03440	28.0
57.07064	8.7
60.53508	3.2
67.05504	100.0
69.03425	8.1
69.07071	40.4
71.04985	8.0
71.08629	29.2
71.60638	5.3
71.95273	2.7
73.41881	2.8
79.05058	5.0
79.05494	65.8
79.39938	3.1
80.05824	2.9
81.03418	7.7
81.07057	97.4
82.07391	3.7
83.04959	10.3
83.08605	22.6
85.02895	3.6
85.06538	7.2
91.05473	62.8
92.05779	3.4
93.07047	84.7
95.04949	23.3
95.08609	61.0
97.06546	15.6
97.10173	10.5
99.08097	32.5
105.07032	57.8
106.07353	4.9
107.04948	6.1
107.08601	54.1
109.06506	11.0
109.10159	33.0
111.04398	4.7
111.08091	8.8
117.06991	11.3
119.04946	5.9
119.08580	46.7
121.10145	35.2
123.11699	9.3
125.09650	4.8
127.03964	3.7
129.06984	8.6
131.08586	14.9
133.10117	33.7
135.11696	26.1
137.05969	12.9
137.09668	4.4
137.13275	4.7
143.08530	8.4
143.96828	3.2
145.10110	15.9
146.99736	3.9
147.04352	3.0
147.11688	40.4
148.20221	3.2
149.09628	7.0
149.13280	21.6
151.11163	17.6
151.14905	3.1
157.10123	8.7
159.11696	12.8
161.13254	28.3
163.11183	12.8
163.14818	5.8
165.12820	8.1
171.11722	13.7
173.13255	9.9
175.03923	4.2
175.14914	15.5
177.12750	3.0
179.14264	14.4
185.13254	7.5
187.14818	5.1
199.14806	6.6
203.18077	3.3
207.06528	13.0
207.13895	4.7
215.17981	3.7
217.07498	9.1
221.15323	3.6
228.13869	6.2
231.17441	4.6
231.21077	5.4
241.07364	4.7
241.11133	7.7
241.19485	18.2
249.22191	8.6
258.73996	3.3
259.08548	13.0
259.12344	15.9
259.20587	47.1
277.18253	5.5
277.21576	49.5
281.10623	6.2
299.11597	3.2
333.17206	5.6
333.23904	4.0
351.18369	45.6
351.25299	91.7
352.25259	3.7
369.19440	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24780	2.9
53.03937	4.7
55.05506	18.9
57.03427	12.5
61.43579	2.8
64.02285	3.2
65.03944	3.9
67.05504	55.1
69.03423	4.3
69.07066	20.8
69.87786	9.8
69.88199	8.3
70.45480	3.1
71.04993	3.2
74.13302	3.1
79.05494	69.4
80.92622	3.2
81.07051	66.1
83.08633	6.6
85.06554	4.5
91.05480	62.3
93.06467	6.1
93.07040	100.0
95.04966	8.4
95.08609	43.8
97.02872	3.3
97.06540	3.8
97.10181	4.2
99.08073	4.7
105.07028	65.8
106.07301	3.2
107.08584	65.1
109.06512	5.0
109.10130	18.3
117.07021	16.5
119.04916	3.5
119.08575	64.4
119.09366	5.7
121.10133	47.2
123.08099	3.3
129.07028	8.4
131.08559	20.7
133.10126	60.4
135.11687	50.3
136.12030	3.7
143.08531	12.9
145.10132	25.0
147.11693	46.2
149.09743	4.0
149.13283	27.1
151.11253	4.2
157.10120	9.4
159.11691	20.6
161.13257	41.9
163.11200	6.5
163.14824	10.7
171.11667	20.8
173.13283	10.7
175.03931	5.0
175.14827	19.7
185.13264	15.5
199.14848	8.7
207.06523	8.3
213.16451	5.4
217.19624	5.4
221.15350	3.7
231.21043	10.1
241.19522	36.5
259.20563	98.9
260.20813	3.5
277.21506	16.1
333.24133	9.0
351.25302	72.2
352.25558	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.05513	13.0
57.03434	9.2
57.07076	3.4
58.98501	1.7
59.82121	1.6
65.03952	1.8
67.05176	3.1
67.05505	44.4
69.07060	18.1
69.53487	13.2
71.04992	4.0
71.08611	1.7
71.43981	1.8
71.74830	1.5
75.04472	1.7
79.05495	66.4
79.53139	1.6
81.06584	3.1
81.07059	62.9
83.08605	7.5
85.06548	3.2
91.04899	2.4
91.05482	50.6
93.07045	90.8
94.07352	2.1
95.04951	6.5
95.08607	39.9
97.10178	2.9
99.08096	5.1
105.07034	57.7
107.08595	55.8
109.06503	3.0
109.10156	15.5
117.07017	13.4
119.08583	56.3
121.10139	45.5
123.11715	5.1
124.10474	2.1
129.07024	9.2
130.97070	1.8
131.08565	20.2
133.10129	44.6
135.08052	2.8
135.11696	47.2
138.68201	2.0
143.08559	9.3
145.10120	23.5
147.11697	44.1
148.11844	1.8
149.09579	2.3
149.13245	28.7
157.10086	9.6
159.11697	17.8
161.13258	38.5
163.11194	4.6
163.14816	9.8
171.11693	15.4
173.13260	12.9
173.96370	2.0
175.14864	22.2
177.12793	2.9
180.41885	1.8
185.13249	13.2
187.14864	3.3
189.12733	4.1
189.16461	3.0
199.14833	10.1
213.16441	3.4
215.17967	3.0
217.19592	5.1
221.15363	2.3
231.17445	2.6
231.21040	8.7
241.19518	38.8
259.20575	100.0
260.20871	3.8
277.21637	15.0
333.24231	8.4
334.84796	1.9
351.25290	71.4
352.25406	2.5
373.57059	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.9
54.51609	2.3
55.01862	3.1
55.05504	32.3
55.82998	2.2
57.03436	55.1
57.07076	4.1
65.03934	5.4
67.05502	81.8
69.03410	2.9
69.07069	24.2
71.04992	3.8
71.08624	8.4
71.12874	6.2
75.04465	3.6
79.05060	4.4
79.05492	77.7
81.03429	2.6
81.07057	87.2
83.04974	5.5
83.08630	16.9
85.06535	8.4
91.05477	56.1
93.07041	100.0
93.07629	5.2
95.04976	12.7
95.08050	4.6
95.08609	62.0
97.06534	7.2
97.10168	9.0
99.08089	10.9
105.06377	4.5
105.07024	50.8
107.08591	58.8
109.06496	8.6
109.10144	22.3
111.08088	5.8
117.07015	11.3
118.60330	2.3
119.08565	44.7
121.06506	3.5
121.10133	47.0
123.08109	4.8
123.11701	8.7
125.09608	5.0
127.07497	2.7
129.06996	7.1
131.08572	19.9
133.10127	44.6
135.11685	38.8
143.08545	9.4
144.21895	2.3
145.10109	16.7
147.11696	37.1
149.09610	3.5
149.13263	22.6
151.11183	7.2
151.70200	2.8
153.12744	2.6
157.10158	5.9
159.11655	17.2
161.13249	28.2
163.11211	7.4
163.14821	5.3
165.12793	3.4
171.11681	10.0
173.13200	8.6
175.14793	9.9
179.14331	4.3
185.13248	10.1
187.14891	12.0
196.67665	2.6
199.14877	5.2
203.18050	3.3
205.15822	3.8
207.13734	3.0
213.16409	3.4
221.18977	3.7
231.20988	5.9
241.19525	19.5
256.85297	2.1
259.20566	47.1
260.20868	3.4
277.21616	30.7
284.27789	2.8
307.27646	2.5
333.24200	4.2
351.25302	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.7
53.03931	1.8
55.05511	17.4
57.03442	11.9
57.07051	3.1
60.27885	1.8
60.46965	1.5
63.54286	2.0
65.03922	3.4
67.05505	53.1
69.03421	2.3
69.07066	17.7
69.55857	8.3
69.56281	4.3
71.04974	5.9
71.64246	1.4
79.05497	74.1
81.07059	65.3
83.04996	1.9
83.08614	7.9
84.80014	1.5
85.06529	5.1
86.11839	1.6
90.00749	1.5
91.04905	2.2
91.05485	58.2
93.07046	100.0
95.04955	6.4
95.08608	45.1
97.06529	2.8
97.10159	4.8
99.08060	3.4
105.07037	61.3
107.08599	61.9
108.08936	1.8
109.06515	4.6
109.10165	17.9
113.09700	2.9
117.07015	13.7
119.04959	1.5
119.08586	64.2
121.06510	1.9
121.10148	49.5
123.08006	2.0
123.11722	4.4
123.58723	1.9
129.06985	10.5
131.08578	22.5
133.10133	58.0
135.11691	41.6
137.09616	3.2
143.08572	11.4
145.10114	21.0
147.04478	2.5
147.11688	53.6
149.09598	4.1
149.13248	29.6
151.11118	1.8
157.10182	11.3
159.11696	17.8
161.09598	2.5
161.13248	44.7
163.11217	5.2
163.14816	9.5
169.10120	1.9
171.11722	16.0
173.13306	13.9
175.11110	1.9
175.14851	18.6
177.12785	3.5
180.04649	1.7
185.13246	15.3
187.14835	4.7
189.12724	2.5
189.16370	2.6
199.14781	6.5
203.14267	3.9
207.06607	3.4
213.16330	5.7
215.17934	2.9
217.15834	2.7
217.19516	5.8
231.17393	4.2
231.21046	12.5
241.19501	44.7
246.29112	1.6
259.20590	96.5
260.20868	3.1
261.22318	2.1
277.21634	13.8
333.24203	8.5
351.25296	67.2
352.25470	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01867	2.8
55.05513	26.0
57.03436	57.6
57.07058	5.5
65.03942	5.1
67.05506	68.5
69.03415	7.7
69.07066	24.5
71.04987	5.8
71.08621	2.0
75.04476	2.3
79.05492	73.0
81.03410	2.5
81.07058	82.3
83.04961	4.5
83.08616	19.6
85.06534	7.9
91.05482	55.7
93.07046	100.0
95.04965	13.0
95.08604	68.9
95.17953	1.8
97.06525	7.0
97.10160	8.8
98.20702	4.0
99.04481	2.0
99.08085	5.0
105.07024	58.7
105.79451	1.9
106.07357	2.2
107.08595	62.3
108.08899	2.2
109.06503	6.9
109.10155	26.7
111.08088	5.4
113.09623	2.4
117.07021	14.5
119.04942	8.3
119.08576	45.1
120.08867	1.9
121.10149	46.5
122.80661	1.6
123.08092	5.4
123.11706	8.0
125.09621	4.9
127.03873	2.4
129.06992	4.9
131.08563	27.5
133.10136	42.5
134.10414	2.1
135.08066	2.3
135.11693	42.2
136.57796	1.8
137.09621	3.6
139.11107	2.3
142.07724	1.8
143.08554	8.4
145.10126	21.7
147.04413	6.7
147.11691	38.9
149.09637	4.1
149.13252	24.6
151.11180	4.2
157.10146	8.0
159.11700	20.7
161.09566	2.6
161.13268	22.1
163.11182	3.7
163.14783	9.4
165.12750	3.2
171.11681	11.8
173.13261	10.0
175.03922	8.5
175.14809	13.9
177.12793	4.2
180.95915	1.8
185.13313	9.0
187.14786	15.8
189.12837	2.3
193.15999	2.0
197.13411	2.0
199.14819	7.3
203.10689	2.9
203.14374	3.1
204.36011	1.9
204.98705	1.9
205.15887	5.4
207.06558	13.2
213.16431	4.1
217.15862	3.1
221.18924	4.2
231.21017	3.3
235.16968	3.6
241.19513	23.1
242.19835	2.5
259.16989	14.3
259.20590	63.4
259.23395	3.1
260.20938	2.5
265.56149	2.0
277.21585	26.1
333.20483	4.0
333.24216	7.1
351.21408	8.0
351.25299	85.8
352.25684	4.6
359.51367	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03939	2.3
55.01863	1.7
55.05510	18.4
57.03437	8.6
57.07068	4.3
59.05003	1.3
65.03935	2.6
66.55873	0.6
66.59162	0.5
67.05502	50.5
69.03424	4.9
69.07064	20.9
69.07454	0.8
69.39772	0.5
69.40057	5.7
71.04981	3.9
71.08634	1.1
73.06559	1.0
75.04465	1.9
77.03918	1.3
79.05489	72.3
80.05817	0.9
81.03422	1.1
81.07055	60.3
82.07362	0.7
83.04984	3.1
83.08620	8.2
85.06542	4.8
86.93846	0.6
88.21201	0.6
91.05479	61.4
92.05804	1.5
93.07041	100.0
94.07368	1.5
95.04962	7.5
95.08603	44.0
96.08970	0.8
96.96468	0.7
97.02888	1.2
97.06523	3.9
97.10165	4.1
99.04479	0.8
99.08096	3.8
102.07947	0.7
103.05436	1.6
105.04536	1.5
105.07027	64.3
106.07370	0.8
107.04933	1.3
107.08591	59.5
108.08929	0.9
109.06519	4.3
109.10150	17.0
111.08080	2.5
113.09633	2.0
115.05479	1.3
117.07018	13.1
119.04953	4.9
119.08576	60.1
120.08960	1.7
121.06515	2.2
121.10140	46.9
122.10458	0.9
123.08047	3.3
123.11709	4.4
125.09639	2.1
127.03893	0.9
127.11226	0.7
128.06227	2.0
129.05492	1.1
129.06999	11.1
130.07817	1.6
131.08565	24.6
132.08965	0.7
133.10126	52.3
134.10492	1.4
135.08067	2.6
135.11687	47.9
136.12033	1.3
137.05968	1.2
137.09616	2.6
137.13234	0.8
139.11150	0.7
141.06938	0.9
142.07733	1.7
143.08559	10.2
143.09613	0.4
144.09160	0.7
145.06480	0.7
145.10117	23.8
147.04393	4.3
147.08035	1.5
147.11681	53.3
148.12090	1.3
149.09604	3.8
149.13252	27.9
151.11179	1.4
153.09196	0.7
155.08536	1.1
156.09224	0.9
157.10135	11.0
159.11687	21.0
161.09618	2.3
161.13249	42.2
162.13702	0.7
163.11171	3.9
163.14812	10.1
163.16069	0.7
165.09084	0.6
165.12741	1.3
167.06956	0.6
169.10065	1.1
170.10925	0.7
171.11687	17.7
173.13268	11.6
175.03925	6.1
175.11252	3.3
175.14815	22.5
176.15158	0.8
177.12738	4.2
177.16338	1.3
179.10631	0.9
179.14360	1.2
183.11633	1.0
185.13243	15.7
187.14798	4.4
189.12764	4.2
189.16386	1.6
191.14333	1.1
195.13759	1.2
199.14841	8.2
201.16382	1.9
203.14330	2.5
207.06517	11.5
207.13814	1.3
209.13274	1.4
213.16382	5.8
215.17957	2.9
217.15903	1.9
217.19507	5.3
221.15401	1.9
231.17490	4.3
231.21031	10.2
235.16951	0.7
241.19495	42.2
242.19910	2.2
259.20563	99.9
260.20938	3.2
261.22119	0.7
277.21616	16.2
278.22205	0.7
309.20618	0.8
333.24277	9.5
351.11404	1.3
351.21399	7.6
351.25311	63.2
352.21487	1.3
352.25253	1.9
352.29126	3.7
359.41266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.4
55.01864	0.8
55.05516	0.6
56.05011	0.6
65.03934	1.0
67.05486	0.4
69.03430	13.0
69.58540	0.4
70.06591	1.0
71.26527	0.8
72.08159	0.6
72.26575	0.5
77.20283	0.4
79.05497	0.8
81.03403	0.7
81.07050	2.7
84.04512	2.1
84.08144	0.9
85.02905	1.1
86.09695	1.2
89.02258	1.0
89.03915	0.8
91.04897	0.6
91.05477	12.3
93.07073	0.6
95.04957	1.5
95.08592	0.6
97.02892	1.3
99.04424	0.8
103.05413	0.5
105.07018	0.6
109.02876	0.8
111.04433	0.8
115.05403	0.5
117.03409	1.1
119.04946	17.1
119.08529	0.5
120.05328	0.5
120.08080	0.5
121.02872	0.6
123.04418	1.0
124.02280	1.3
127.03921	5.1
129.10287	0.6
131.04906	0.6
135.04393	1.0
136.07603	0.6
137.05989	0.9
139.03902	1.0
145.02821	2.6
146.06113	0.8
147.04413	16.8
148.04765	0.5
149.05997	0.5
157.03949	1.1
163.03922	0.8
164.04596	0.8
167.07053	1.1
175.03909	24.5
175.08722	0.8
176.04239	1.0
177.05466	4.1
179.03415	0.5
179.07185	0.9
191.06866	0.5
197.10692	0.5
198.09120	0.7
199.08685	2.3
200.09421	8.2
201.10263	10.0
202.08939	0.5
202.10971	0.6
204.08495	1.3
205.06879	0.6
206.10484	0.6
207.06523	42.1
208.06866	1.7
213.10240	7.9
214.11002	5.6
215.11794	20.5
216.04077	0.5
216.12283	1.1
217.09732	1.3
219.06531	0.5
219.11267	11.7
220.11745	0.5
225.10294	1.0
225.13780	0.5
226.11038	2.0
227.08041	0.9
227.11818	1.2
228.08675	0.5
228.12486	3.0
231.11282	2.3
232.12024	0.5
234.06705	0.6
241.09644	2.7
241.13358	4.7
242.10486	11.7
243.11305	2.7
245.09167	0.8
254.10498	1.2
255.11218	1.0
256.12027	3.4
259.10791	3.6
260.11551	5.0
261.07663	0.6
261.12283	1.5
263.09119	0.6
269.12888	5.0
271.14590	1.0
272.11606	1.6
274.13043	0.8
277.11871	2.9
278.12497	0.6
280.12036	0.6
287.13840	2.5
288.05988	0.7
288.14841	0.5
289.15421	1.0
297.12360	8.6
300.11023	2.7
302.10248	0.9
315.13373	19.4
316.13507	0.6
333.10947	0.9
333.14453	20.7
334.12561	0.5
351.15497	100.0
352.15781	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	351.214
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.38973	0.3
53.03944	0.7
55.01862	0.6
55.05499	1.2
56.96556	0.6
57.03418	0.4
60.06629	0.3
65.03926	1.1
67.05504	2.6
69.03425	12.6
69.07075	2.2
69.07406	0.5
71.01331	0.3
71.04974	0.5
71.40697	0.8
77.00903	0.6
77.03911	0.4
79.05492	2.7
81.03407	1.5
81.07053	5.3
83.04960	0.7
83.08620	1.2
85.02895	0.6
85.06512	0.5
91.05478	13.8
92.05804	0.4
93.07046	2.5
95.04945	0.9
95.08604	2.5
97.02875	1.1
97.06528	0.3
99.04472	0.4
99.08103	0.5
103.05462	0.3
105.07027	3.3
107.04928	0.6
107.08574	1.5
109.02878	0.9
109.06510	1.6
109.10143	1.8
111.04433	0.8
116.98613	0.6
117.07005	0.9
119.04942	16.1
119.08596	2.0
120.05299	0.5
121.06498	0.5
121.10123	1.8
123.08076	0.9
123.11720	0.7
125.05956	0.4
125.09619	0.4
127.03917	3.2
128.06232	0.4
129.07011	0.5
131.04930	0.7
131.08543	1.2
132.02063	0.8
133.02840	0.3
133.06497	0.6
133.10136	2.4
135.04382	0.4
135.08006	0.4
135.11711	1.2
137.05966	6.2
137.09583	0.7
145.02855	0.5
145.06438	0.5
145.10100	1.0
147.04404	15.6
147.08009	0.4
147.11662	1.4
148.04732	0.8
149.02367	0.6
149.09619	0.8
149.13246	0.5
151.11104	0.9
153.05443	0.4
153.06969	0.3
155.03610	0.4
155.06082	0.3
157.03961	1.1
157.10057	0.4
159.08063	0.4
159.11674	0.9
161.06013	0.5
161.09607	1.0
161.13280	0.6
163.11140	1.0
164.04689	0.4
167.07059	1.1
171.11728	0.5
175.03902	22.7
175.11157	0.6
176.04289	1.4
177.12761	0.4
179.07036	1.2
181.12076	0.4
187.07631	0.4
189.09021	0.4
189.12770	0.3
191.07008	0.5
203.18098	0.4
207.06516	39.6
208.06873	1.9
215.11285	1.4
217.07433	0.4
219.06430	0.8
229.46654	0.4
231.10631	0.4
233.06053	0.4
233.12302	0.5
235.05882	0.5
241.19569	0.5
249.18489	0.6
253.12851	1.5
261.07632	0.4
271.13913	1.2
277.17975	1.5
277.21417	0.5
281.13547	0.4
291.10349	0.6
295.18982	0.5
297.07608	0.4
315.23340	0.6
319.09604	0.9
333.19608	1.7
333.23895	0.5
351.12518	2.4
351.21381	100.0
352.11609	0.4
352.21692	2.6
369.21030	0.9
374.21933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65372	0.3
55.05513	1.0
56.04791	0.4
56.05025	2.1
56.96551	0.5
58.33863	0.4
58.99601	0.6
62.83642	0.4
65.03941	0.8
67.05511	1.6
69.03434	3.9
69.07064	0.4
69.74592	2.6
70.06594	1.4
72.04507	0.5
72.08154	0.6
79.05507	0.6
81.03413	0.6
81.07042	0.9
81.11589	0.4
82.06585	2.5
83.04962	0.5
83.07356	0.9
84.08147	100.0
85.02886	0.4
85.08473	1.5
86.09705	0.6
89.03919	0.6
90.39896	0.3
91.05469	3.8
93.07058	1.4
95.04944	0.5
95.08612	0.8
97.02865	0.5
101.04245	27.4
104.98276	0.6
110.06062	0.9
115.05795	0.7
119.04954	4.7
121.06538	0.4
123.04436	0.8
125.04201	0.8
126.01340	0.4
127.03944	1.8
127.05792	2.9
128.07047	0.7
129.10233	0.6
130.08661	5.4
135.04466	1.1
138.09174	0.4
145.02821	1.1
145.06577	0.4
147.04419	5.2
147.11298	1.7
159.02995	0.6
163.03925	2.7
167.07109	0.4
171.02641	0.4
175.03934	6.9
175.11761	0.5
176.04179	0.5
177.04041	22.6
177.05353	1.3
178.04561	0.4
187.02550	0.8
189.03703	2.2
205.03519	5.5
205.05305	0.6
206.15408	0.6
207.06544	12.6
261.07770	0.4
270.09811	2.4
276.82507	0.4
288.10873	29.2
289.10898	0.9
305.13589	0.8
319.12988	0.6
333.13129	1.5
336.11060	0.4
351.06860	2.7
351.10703	2.4
351.14090	53.4
352.14325	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	9.4
57.03418	4.8
65.03922	7.4
67.05531	4.2
69.03424	13.0
69.89375	25.4
70.06587	18.6
81.03420	6.2
83.04979	6.8
85.02894	21.2
86.09706	5.3
91.05437	4.6
97.02892	8.6
104.12852	4.4
107.04981	5.8
109.02901	8.3
111.04439	39.9
127.03915	7.8
132.18234	4.3
139.03891	88.3
139.04903	7.0
147.04422	5.3
163.03905	17.1
171.05157	7.5
171.06528	100.0
176.07057	4.3
207.06677	4.8
218.37790	3.9
222.07628	7.5
237.02588	4.8
280.59164	4.0
359.56125	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	350.1342
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03935	1.0
55.01864	1.2
57.03432	2.5
59.04994	0.4
59.71775	0.3
60.04529	3.2
61.02935	1.8
61.68077	0.2
64.60876	0.3
67.05492	0.4
69.03432	10.3
70.06590	0.5
71.01350	1.1
71.04993	3.5
71.60262	0.4
72.08135	0.3
73.02912	1.2
75.04471	0.6
79.05480	0.7
81.03416	1.3
81.07047	0.4
85.02903	1.3
87.04437	0.4
91.05476	3.8
95.08633	0.4
96.04491	0.3
97.02890	0.8
97.06522	0.3
99.04459	2.4
105.07005	0.7
107.08579	0.4
109.06514	0.4
116.04974	0.6
117.05620	0.4
118.06546	4.3
119.04939	3.1
120.08093	0.7
126.05495	0.4
127.03934	1.0
131.06004	0.3
132.06873	0.4
132.08083	1.3
133.10146	0.3
143.05679	1.7
145.07605	15.2
146.08340	0.9
146.09575	0.6
147.04451	2.3
147.09166	21.5
148.09563	0.4
155.64580	0.3
157.07599	1.0
158.11810	0.6
159.09184	9.0
160.10025	1.9
161.10756	0.8
171.09109	0.5
173.07146	1.2
173.10696	0.8
175.03911	3.9
175.08742	1.6
177.05502	0.4
182.08429	0.3
183.09256	0.4
184.09976	0.8
185.10736	3.9
186.11577	0.8
187.08676	1.2
187.12375	1.2
189.10234	1.1
191.08156	100.0
192.08464	1.7
197.10742	1.5
199.08656	1.1
199.12299	1.5
201.10251	0.6
204.08769	0.7
207.06512	7.2
211.08693	0.4
213.10242	1.8
215.11896	1.5
216.07700	10.1
225.10226	0.8
231.11205	0.7
233.09184	0.6
233.12901	0.3
236.81490	0.3
243.11258	0.3
245.09213	0.6
263.13910	7.1
271.10846	0.9
289.11792	4.0
296.25739	0.4
307.12881	56.0
308.13153	1.4
332.27905	0.4
350.13440	51.6
350.28674	1.8
351.13803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01864	1.2
57.03432	2.5
59.04994	0.4
59.71775	0.3
60.04529	3.2
61.02935	1.8
61.68077	0.2
64.60876	0.3
67.05492	0.4
69.03432	10.3
70.06590	0.5
71.01350	1.1
71.04993	3.5
71.60262	0.4
72.08135	0.3
73.02912	1.2
75.04471	0.6
79.05480	0.7
81.03416	1.3
81.07047	0.4
85.02903	1.3
87.04437	0.4
91.05476	3.8
95.08633	0.4
96.04491	0.3
97.02890	0.8
97.06522	0.3
99.04459	2.4
105.07005	0.7
107.08579	0.4
109.06514	0.4
116.04974	0.6
117.05620	0.4
118.06546	4.3
119.04939	3.1
120.08093	0.7
126.05495	0.4
127.03934	1.0
131.06004	0.3
132.06873	0.4
132.08083	1.3
133.10146	0.3
143.05679	1.7
145.07605	15.2
146.08340	0.9
146.09575	0.6
147.04451	2.3
147.09166	21.5
148.09563	0.4
155.64580	0.3
157.07599	1.0
158.11810	0.6
159.09184	9.0
160.10025	1.9
161.10756	0.8
171.09109	0.5
173.07146	1.2
173.10696	0.8
175.03911	3.9
175.08742	1.6
177.05502	0.4
182.08429	0.3
183.09256	0.4
184.09976	0.8
185.10736	3.9
186.11577	0.8
187.08676	1.2
187.12375	1.2
189.10234	1.1
191.08156	100.0
192.08464	1.7
197.10742	1.5
199.08656	1.1
199.12299	1.5
201.10251	0.6
204.08769	0.7
207.06512	7.2
211.08693	0.4
213.10242	1.8
215.11896	1.5
216.07700	10.1
225.10226	0.8
231.11205	0.7
233.09184	0.6
233.12901	0.3
236.81490	0.3
243.11258	0.3
245.09213	0.6
263.13910	7.1
271.10846	0.9
289.11792	4.0
296.25739	0.4
307.12881	56.0
308.13153	1.4
332.27905	0.4
350.13440	51.6
350.28674	1.8
351.13803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01868	0.9
55.05513	5.7
56.96573	0.6
57.03433	0.8
57.07070	1.5
59.24446	0.4
65.65426	0.5
67.05511	6.9
69.06723	0.8
69.07070	10.6
69.07455	0.5
70.31812	1.2
70.32194	0.9
71.04986	1.2
71.08623	0.9
79.05503	4.5
81.06590	0.6
81.07055	9.3
82.76251	0.4
83.04984	0.8
83.08626	3.9
85.06554	0.8
91.05477	3.8
93.07045	5.2
94.59071	0.4
95.04977	1.3
95.07993	0.4
95.08604	8.4
97.06538	2.2
97.10186	0.8
99.08102	0.4
105.07023	4.2
107.04911	0.5
107.08607	5.0
109.06532	9.9
109.10155	4.0
111.08093	1.9
117.07063	0.9
119.08588	3.9
121.06486	0.8
121.10122	3.4
122.07258	0.8
123.08072	62.9
123.11722	1.8
124.08418	0.7
131.08589	1.1
133.10124	4.0
135.08057	5.1
135.11716	1.9
136.08813	0.6
137.09608	3.4
145.10153	1.7
147.11700	2.2
149.09621	1.6
149.13255	1.7
151.11154	1.0
157.10139	0.6
159.11708	2.1
161.13287	1.6
163.11115	0.8
165.12798	0.7
167.02309	0.5
173.13341	0.9
175.14964	0.5
177.12712	0.7
179.14320	8.2
233.18977	0.9
237.54407	0.4
275.20120	2.0
281.21146	0.5
289.21732	0.8
289.25336	1.4
290.22037	0.7
293.21115	15.9
294.21811	0.5
303.26761	0.6
331.26291	3.3
349.27386	100.0
350.27887	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.55713	0.6
53.03931	1.1
55.01863	1.2
55.05515	6.2
56.80225	0.6
57.03429	1.9
57.07071	1.8
58.53755	0.7
67.05509	9.3
67.99074	0.6
69.07072	13.1
71.04991	1.4
79.05498	8.2
81.07063	12.4
83.05001	0.9
83.08636	4.3
85.06555	1.1
91.05484	5.9
93.07045	8.5
95.04958	1.2
95.08619	10.0
97.06539	2.3
97.10184	1.3
104.40672	0.7
105.07033	7.7
105.37047	0.7
107.08604	10.7
109.06526	10.6
109.10160	4.2
111.08064	2.2
111.60620	0.6
113.41179	0.7
113.78432	0.7
117.07012	1.9
117.29597	0.7
119.08588	6.7
121.10162	4.4
123.08073	61.9
123.11716	3.0
125.09645	1.2
131.08575	1.9
133.10127	4.2
135.08026	3.5
135.11699	3.6
137.09628	4.7
143.08568	1.0
145.10120	2.0
147.11703	3.1
149.09599	2.2
149.13249	1.6
151.11206	1.0
157.10059	0.7
159.11688	2.8
161.13264	1.1
163.11195	1.8
173.13216	1.1
179.14320	3.0
185.13150	1.2
238.96992	0.8
257.18979	1.4
275.20023	5.6
289.25195	1.4
293.21118	17.0
307.22726	1.1
331.26443	2.7
349.23993	4.9
349.27396	100.0
350.27631	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03940	0.5
55.05514	2.1
57.03428	0.4
57.07079	4.5
60.69367	0.3
60.82359	0.4
67.05505	4.1
69.07071	3.5
70.85396	0.4
70.85729	0.7
71.04971	0.5
71.08639	2.0
79.05491	3.6
81.07058	6.1
83.04939	0.5
83.08608	0.5
85.06541	2.8
91.05463	1.9
93.07034	3.4
95.04952	0.4
95.08602	5.3
97.06521	0.8
97.10130	0.6
99.08083	1.8
105.07052	2.8
107.03204	0.4
107.08587	3.1
109.06516	17.0
109.07270	0.8
109.10178	1.8
111.08069	0.9
118.94507	0.4
119.08593	1.8
121.06505	0.4
121.10170	1.9
122.07266	1.7
123.08067	24.1
123.11725	0.6
131.08594	0.7
133.10136	1.9
135.08063	3.1
135.11728	0.6
137.09604	0.6
143.08469	0.4
145.10126	0.8
147.11682	1.3
149.09637	0.6
158.10591	0.3
159.11702	0.9
161.13290	0.5
165.12724	0.7
167.14310	0.8
173.13301	0.5
179.14308	100.0
180.14656	1.3
184.24492	0.3
187.15015	0.4
191.18103	0.3
193.15874	2.2
275.20120	1.0
275.42545	0.4
293.21167	0.6
331.26343	2.9
349.27365	75.6
350.27774	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.0
55.01872	11.2
55.05515	44.2
56.96569	19.0
57.03442	33.7
57.07072	4.0
61.02905	13.5
65.03926	5.6
67.05504	97.5
69.03424	7.8
69.07069	48.4
69.39597	31.4
71.04995	10.5
72.15820	3.1
73.02923	8.5
79.05075	6.4
79.05495	95.1
81.03411	20.3
81.06587	6.0
81.07053	100.0
83.04975	11.1
83.08622	21.0
84.16502	3.7
85.02885	9.2
85.06551	4.7
85.29392	3.3
85.63483	3.1
91.03957	6.2
91.05479	97.4
93.06487	5.2
93.07047	91.6
95.01332	5.8
95.04967	26.1
95.08608	56.5
97.02874	10.0
97.06532	25.3
97.10159	11.3
98.21508	7.8
105.07031	89.2
107.04947	22.5
107.08590	73.2
109.02906	3.4
109.06499	17.3
109.10156	23.7
111.08079	5.1
115.62326	3.1
116.98561	5.1
117.07012	29.4
119.08587	61.0
121.06503	9.9
121.10120	28.1
123.08083	9.9
123.11709	6.8
125.09660	8.6
127.03960	5.5
128.06229	5.0
129.06990	13.6
130.07797	4.5
131.08559	38.7
133.06491	7.1
133.10138	53.8
134.10411	5.3
135.08058	5.7
135.11678	14.8
137.09607	3.7
143.08577	7.1
145.06511	3.1
145.10133	53.1
147.11687	38.7
149.09657	29.8
149.13235	9.8
151.11113	5.9
155.08614	5.1
157.10104	12.2
159.11681	27.6
161.13237	13.3
163.11200	7.7
163.14767	5.2
169.10167	7.6
171.11685	9.8
173.11810	4.2
173.13266	13.8
177.12788	7.0
179.14302	11.7
183.11783	6.1
185.13213	3.5
187.11183	3.8
195.11690	5.5
195.13771	3.4
197.13313	4.5
211.13264	5.7
213.08023	5.0
217.07372	4.2
229.19495	5.0
231.09081	3.8
239.17899	11.8
243.09106	5.6
247.20609	8.5
257.18991	35.8
267.08972	16.6
269.10379	15.9
269.17374	5.8
275.20068	73.3
285.10159	27.7
286.10486	7.0
287.11603	10.2
340.15576	5.4
349.19980	14.8
349.23816	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
55.01877	20.3
55.05515	43.5
56.96550	3.0
57.03442	22.9
59.05008	2.0
60.15607	2.1
61.61564	2.0
64.02548	1.9
65.03950	3.1
67.05511	58.2
69.03423	3.9
69.06727	3.4
69.07078	43.1
69.42970	19.7
71.05006	4.0
73.02922	2.7
75.04485	2.6
79.05499	100.0
81.03416	6.9
81.07064	55.9
83.04974	10.1
83.08614	12.8
85.06559	3.1
91.05487	72.6
93.07046	58.8
95.01333	4.2
95.04975	16.2
95.08608	37.7
97.06538	22.3
97.10162	15.2
105.07037	74.1
107.04968	28.7
107.08601	97.3
109.06513	11.9
109.10162	22.5
111.08105	3.8
115.05473	2.4
117.07019	24.6
119.08585	39.3
121.06532	6.2
121.10155	20.2
123.08107	2.8
123.11739	2.7
125.09624	21.0
129.07019	6.3
130.07848	2.5
131.08577	30.0
133.10133	43.2
135.08078	7.4
135.11684	14.3
137.09583	2.3
137.60263	2.2
141.07025	2.6
143.08583	10.1
144.09322	2.4
145.06554	3.2
145.10135	77.4
147.11713	31.6
149.09639	34.0
149.13280	6.1
151.11217	2.3
153.09105	2.9
155.08569	5.7
157.10135	8.8
159.11693	24.5
161.13286	8.3
163.11174	13.2
169.10121	3.9
171.10347	3.1
171.11647	14.6
173.09738	2.3
173.11842	3.3
173.13280	11.8
175.11185	4.2
177.12721	7.4
179.14330	7.2
183.11723	6.6
184.66959	2.2
185.13255	6.2
187.11209	4.2
189.11223	15.9
189.12663	2.9
197.13284	7.9
229.19481	7.2
239.17943	16.0
247.20715	3.4
257.19052	44.5
267.09006	3.3
275.20090	83.1
276.20468	4.2
285.10165	7.8
293.21375	2.7
331.22699	4.6
349.23798	67.6
350.24280	3.6
355.77957	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09843	0.9
53.03944	1.9
53.32135	1.0
55.01873	6.0
55.05510	16.0
56.96568	7.2
57.03438	18.6
57.07076	2.6
65.03931	2.1
67.05505	37.1
69.03426	3.1
69.07070	20.8
69.37712	10.4
71.04984	2.5
79.05493	33.2
81.03414	1.8
81.06582	2.1
81.07056	39.5
83.04987	7.5
83.08613	6.3
85.06551	2.2
91.05480	29.4
93.07047	42.3
93.07640	2.5
95.04971	13.4
95.08612	24.7
97.06518	6.0
97.10154	3.1
105.07034	33.1
107.04964	12.1
107.08598	23.9
109.06526	15.4
109.10152	10.7
111.08065	3.5
115.05470	1.2
117.07027	10.5
119.08585	21.0
119.09400	0.9
121.06517	14.7
121.10134	11.9
123.08044	6.3
123.11694	3.3
125.09682	1.2
128.06230	1.2
128.98596	1.5
129.06984	3.6
130.07770	2.0
131.08568	20.6
133.06502	2.7
133.10132	22.8
135.08067	6.3
135.11684	6.9
137.09608	2.6
141.07036	1.1
143.08569	4.3
144.09372	1.6
145.06503	2.6
145.10107	18.0
147.08066	4.4
147.11688	13.2
149.09625	8.9
149.13243	4.0
151.11195	6.8
155.08633	2.0
157.10115	4.6
159.08116	2.5
159.11690	12.7
159.47617	1.2
161.09616	5.5
161.13271	3.5
163.11205	8.6
165.12704	1.8
169.10237	1.8
171.11752	3.2
173.09651	2.5
173.13278	6.2
175.11183	3.3
177.12701	5.0
179.10672	1.2
183.11646	2.9
185.13304	1.8
187.11139	3.4
191.14299	3.1
197.13255	2.9
199.14828	1.2
201.12755	4.8
205.19476	1.4
207.13774	3.4
215.17984	2.0
217.07420	1.6
219.13776	4.4
229.07695	2.5
229.19485	3.6
231.09053	3.4
231.17555	1.6
233.15335	1.2
239.17943	4.0
243.08983	1.7
247.08498	1.9
247.20586	4.8
255.09084	1.8
257.19016	16.7
264.45743	1.2
267.09149	1.8
269.10666	3.4
275.20071	100.0
276.20407	5.5
285.10043	4.2
290.66690	1.4
293.21127	8.4
349.17148	6.6
349.23724	30.0
349.26874	1.1
350.23911	1.5
367.17926	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02551	1.8
53.03951	17.2
55.01875	19.5
55.05512	27.8
56.96561	3.8
57.03437	21.8
57.07080	3.1
65.03935	3.6
67.05506	73.5
68.05836	2.2
69.03427	4.4
69.07070	64.8
69.53304	10.8
69.53706	3.5
71.04978	2.6
71.95217	1.6
79.05497	60.4
81.03419	32.5
81.07060	88.4
83.05003	12.1
83.08624	14.4
85.06540	2.0
91.05482	83.0
93.06476	3.8
93.07048	59.0
93.07636	3.2
95.01339	24.7
95.04974	24.5
95.08608	53.6
97.02874	1.8
97.06531	31.1
97.10170	5.1
98.21505	3.5
103.05471	3.1
105.04544	1.8
105.07034	100.0
106.07347	3.2
107.04960	46.8
107.08610	29.8
109.06522	8.3
109.10111	9.7
111.08086	4.7
115.05450	3.3
117.07004	27.4
119.04974	2.0
119.08585	63.8
121.06542	9.0
121.10141	16.0
123.04440	4.5
123.08052	11.2
123.11755	3.6
125.09656	3.9
129.07022	5.6
130.07787	2.1
131.08572	33.3
133.06454	1.7
133.10132	58.6
135.08060	6.8
135.11693	19.1
137.09659	3.3
141.07008	4.9
143.08562	8.7
145.06488	6.7
145.10139	31.8
147.11684	24.2
149.09583	9.7
149.13240	10.8
151.11153	3.4
155.08536	3.0
157.10188	6.3
159.08087	2.0
159.11707	24.6
161.09740	2.5
161.13235	10.4
163.11156	8.5
165.09079	2.7
169.10094	3.8
171.11699	5.6
173.13264	6.3
177.12799	12.4
179.14319	29.0
183.11731	3.8
187.11203	9.7
195.13800	2.0
197.13341	4.6
205.12262	3.3
229.19499	4.5
239.17934	3.5
241.14514	3.0
247.20648	4.7
257.19055	7.6
264.16211	2.3
269.10684	2.2
275.20071	71.4
276.20407	5.0
285.10104	2.0
349.23785	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01877	7.6
55.05510	21.5
56.96548	2.0
57.03186	1.5
57.03437	16.9
57.07072	2.4
61.02921	1.4
65.03935	2.2
66.52670	0.8
67.05504	40.5
68.05823	1.1
69.03418	2.4
69.07067	24.0
71.04976	3.0
79.05494	38.8
81.03395	3.2
81.07055	43.4
83.04982	9.4
83.08634	7.0
85.02901	1.3
85.06517	2.2
91.05482	38.1
93.07043	40.6
93.07639	2.0
95.04958	10.4
95.08607	28.0
97.02915	1.0
97.06538	6.4
97.10165	6.3
103.05499	1.8
105.07031	43.3
107.04958	11.1
107.08595	36.5
109.06513	12.5
109.10158	10.4
111.08068	3.9
115.05458	1.0
116.06228	1.1
117.07015	11.9
119.08583	25.0
121.06503	14.0
121.10132	15.0
123.08053	8.3
123.11678	3.8
125.09623	4.8
127.20744	1.0
129.07027	5.0
130.07759	2.0
131.08568	24.1
132.08928	1.0
133.06467	3.5
133.09123	1.4
133.10129	24.0
135.08018	5.8
135.11690	7.0
137.09595	3.6
139.11160	1.1
141.06981	1.3
143.08546	3.9
145.06477	2.3
145.10120	27.9
147.08049	4.7
147.11685	16.9
149.09624	12.9
149.13246	2.6
151.11182	5.3
153.09094	1.8
155.08527	1.4
157.10103	6.5
159.08057	3.1
159.11685	11.7
161.09621	3.9
161.13251	5.7
163.11162	7.9
165.12740	1.4
169.10176	2.5
171.11664	4.9
173.09595	4.0
173.13313	7.9
175.11185	4.4
175.14813	1.2
177.12758	2.9
183.11682	3.4
185.13210	2.2
187.11127	2.7
187.14790	2.0
189.11180	2.7
189.12776	2.2
191.14343	2.9
193.12129	1.0
197.13275	3.6
201.12752	3.3
205.19579	0.9
207.13766	3.3
213.05423	1.3
213.16422	1.1
215.14343	1.7
215.17886	2.5
219.13811	4.0
219.17448	1.4
229.19392	3.8
231.17522	1.3
239.17877	5.9
247.20602	5.0
257.19022	24.8
269.10663	1.1
275.20059	100.0
276.20432	5.2
285.10013	2.1
293.18216	0.9
293.21133	5.7
331.22571	1.3
349.20169	2.2
349.23715	41.0
350.24069	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01877	8.5
55.05260	2.4
55.05510	29.6
56.96561	6.3
57.03439	48.5
57.07053	1.6
61.02921	4.2
65.03921	2.5
67.05506	54.8
69.03427	3.6
69.07070	23.0
70.73705	2.4
70.74049	2.9
71.04990	4.5
75.04479	2.3
79.05494	76.8
80.05830	1.5
81.03410	6.5
81.07059	71.5
82.03770	1.3
83.04981	6.0
83.08609	12.7
85.02907	3.5
85.06543	10.6
91.05480	83.9
92.05788	2.0
93.07041	69.6
95.04973	14.0
95.08607	45.2
97.02876	4.0
97.06525	9.5
97.10162	6.3
99.08080	6.6
103.03991	1.5
103.05482	3.8
105.04484	2.0
105.07034	94.5
106.49155	1.5
107.04946	7.5
107.08598	44.9
108.08927	1.6
109.02894	1.8
109.06513	15.8
109.10161	12.2
111.08083	5.2
113.09615	1.8
115.05446	2.9
116.06242	1.7
117.07015	44.8
119.08583	84.6
120.08926	1.7
121.06544	5.1
121.10139	22.0
123.08109	5.0
123.11717	2.5
125.09631	2.7
127.07529	2.4
128.06229	3.8
129.05505	2.6
129.07004	18.5
130.07800	1.6
131.08569	54.1
133.10132	43.7
135.08093	4.4
135.11688	11.5
137.09642	3.9
139.11185	2.1
141.07007	4.9
142.07750	4.4
143.08545	17.8
145.10123	68.4
147.08029	2.4
147.11679	41.0
147.12784	2.4
149.09615	12.0
149.13234	6.8
151.11194	3.1
153.05457	2.3
155.08534	6.7
157.10127	28.4
157.11322	2.4
159.08099	1.7
159.11699	66.5
161.09660	4.1
161.13271	20.4
163.11220	6.1
163.14919	1.6
165.12776	2.5
167.10779	1.5
169.10144	10.6
170.10582	1.6
171.11705	15.6
173.09656	2.9
173.13272	27.4
175.11220	4.2
175.14822	9.9
177.12747	4.3
179.10666	1.5
183.11688	12.4
185.04742	1.6
185.13264	32.8
185.14867	2.4
187.11203	2.5
187.14865	4.6
189.12761	2.3
191.14323	4.0
193.12296	3.4
195.11739	2.9
197.13255	10.3
199.14972	2.2
201.16388	5.8
203.14313	15.4
211.14865	3.4
213.08063	1.6
213.16420	2.8
215.14362	1.9
215.17949	3.9
219.17442	20.5
221.15431	1.7
229.19466	8.4
231.08890	1.6
239.17929	27.3
241.11182	2.4
247.20573	1.9
257.16342	3.0
257.19028	62.1
259.12189	3.2
267.09048	7.4
269.10712	5.3
269.17532	2.5
270.11063	1.6
275.20056	51.1
277.18173	4.2
285.10068	14.7
286.10507	1.9
287.11813	2.7
289.21384	1.5
303.11017	1.9
331.22650	7.0
349.09381	2.1
349.23792	100.0
350.24191	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	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96566	2.6
53.03944	17.9
55.01636	3.0
55.01874	21.5
55.05515	30.0
57.03443	25.3
59.61735	2.5
67.05508	81.5
69.07073	70.0
70.70524	9.4
71.03328	2.7
71.04984	4.1
79.05491	67.8
79.44804	2.8
81.03426	37.6
81.07064	100.0
83.04974	15.4
83.08632	14.9
85.06552	5.7
91.05482	89.5
93.06482	5.4
93.07049	78.3
95.01331	26.5
95.04970	29.9
95.08613	66.5
97.06525	29.7
97.10156	4.0
98.67468	2.8
105.07040	98.6
106.07385	4.0
107.04962	43.8
107.08611	35.4
109.06522	11.6
109.10162	16.7
111.08045	6.0
112.93930	3.3
117.07029	32.3
119.07793	4.7
119.08585	56.2
121.06493	6.6
121.10136	18.8
123.04395	4.6
123.08103	14.7
123.11721	8.1
125.09653	3.1
128.52103	2.7
129.06998	8.1
131.08572	41.5
133.10141	81.9
135.08054	6.9
135.11682	17.3
137.09612	4.2
141.06985	5.7
143.08569	7.6
145.06459	8.4
145.10132	41.8
147.11700	27.5
149.09621	12.8
149.13275	13.3
155.08559	3.6
157.10091	5.9
159.11717	27.5
161.09558	3.5
161.13242	12.3
163.11189	7.8
165.09068	4.3
169.10101	5.8
171.11745	8.7
173.13268	7.4
175.11250	3.1
177.12729	10.5
179.14325	28.9
183.11757	3.4
187.11201	9.6
197.13301	4.1
239.17982	4.9
247.20657	5.3
257.19012	17.8
275.20096	74.1
276.20251	3.8
346.31973	2.8
349.23798	69.4
349.28088	3.4
349.33636	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.6
55.01880	13.4
55.05516	34.1
56.96557	9.6
57.03439	22.7
57.07072	3.4
65.03913	3.7
65.08923	3.0
65.19889	2.5
67.05505	100.0
69.03429	6.0
69.07072	40.9
69.62830	13.4
69.63236	5.9
71.04982	9.7
71.38335	2.9
79.05496	87.7
81.03413	12.2
81.06587	5.4
81.07059	93.4
83.04993	14.1
83.08639	14.0
85.06549	3.6
91.05487	88.6
93.07046	82.8
95.01334	7.7
95.04983	17.0
95.08605	59.2
96.08994	2.9
97.06527	18.0
97.10155	6.8
101.70995	2.6
103.05457	4.8
105.06323	4.2
105.07030	85.4
107.04947	28.7
107.08596	47.0
109.06503	8.9
109.10166	27.2
111.08083	5.6
117.07022	27.0
119.08582	55.9
121.06532	6.2
121.10143	24.6
123.08051	7.8
123.11735	4.8
129.07021	8.2
131.08568	33.7
133.10147	57.2
135.08049	9.4
135.11711	17.2
135.12599	2.6
137.09627	8.7
141.07034	3.7
143.08511	8.2
145.10135	25.9
147.11687	29.5
149.09590	21.2
149.13271	5.1
151.11165	3.1
155.08553	4.8
155.87878	2.5
157.10152	9.2
159.11708	29.3
161.13217	11.1
163.11172	8.9
169.10170	5.3
171.11737	5.7
173.13313	13.5
175.11072	2.7
177.12787	7.1
179.14265	10.7
183.11674	5.1
185.13225	3.0
187.11211	5.6
191.14349	3.1
196.71303	3.2
197.13202	6.1
229.19482	8.0
231.08911	4.1
239.18001	6.8
247.20578	9.6
257.19019	14.4
267.09088	4.8
275.20090	86.9
276.20279	4.3
285.09976	5.3
301.66794	3.0
328.09384	2.7
349.16852	7.2
349.23758	58.4
350.23962	3.9
367.17914	3.9
370.82736	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.9
53.03944	21.3
55.01871	22.8
55.05511	25.4
56.96569	2.2
57.03432	18.0
65.03928	4.1
67.05503	80.4
69.07065	78.3
70.67130	5.4
71.04994	4.4
71.08611	2.3
79.05489	63.4
81.03419	32.2
81.07054	92.7
83.04974	11.4
83.08617	14.1
85.06548	3.8
91.05477	82.5
93.07036	65.8
95.01326	23.9
95.04964	24.9
95.08607	68.2
97.06528	27.0
97.10137	4.2
105.07027	100.0
107.04957	49.5
107.08606	31.1
109.06509	8.6
109.10135	16.5
111.08070	5.5
115.05507	2.4
117.06995	28.9
119.08575	50.0
121.06496	9.2
121.10149	14.4
123.04419	4.8
123.08031	11.3
123.11722	4.6
125.09661	3.6
129.07018	5.0
131.08569	39.6
133.06508	3.1
133.10126	64.5
134.10471	3.5
135.08046	4.7
135.11705	17.7
137.09653	4.6
139.07541	3.2
141.07005	3.1
143.08563	7.2
144.09273	2.8
145.06496	7.2
145.10124	28.8
147.11682	33.9
148.12003	2.6
149.09616	9.9
149.13284	9.6
151.11208	4.7
157.10133	5.1
159.11691	26.2
161.13239	9.1
163.11205	7.1
165.09087	3.3
169.10089	5.1
171.11781	6.8
173.13284	4.6
177.12717	14.0
179.14326	32.0
183.11742	4.3
185.13152	3.4
187.11176	10.7
187.14822	2.5
197.13313	2.7
205.12238	4.5
239.17686	2.3
241.14301	2.5
247.20602	4.6
257.19046	9.9
275.20053	70.7
276.20496	4.3
285.10126	2.7
331.15857	5.5
349.16943	6.7
349.23685	42.5
350.24216	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	349.2372
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
50.93990	1.8
53.03934	7.4
55.01876	21.5
55.05508	30.4
56.96554	7.2
57.03432	21.6
57.07074	2.6
61.02921	3.2
65.03931	3.7
67.05502	68.9
69.03416	2.8
69.06725	3.5
69.07068	45.6
69.85551	2.0
71.04980	5.5
71.13070	3.1
71.13411	4.4
71.96786	1.8
73.02908	3.5
79.05492	70.2
81.03412	8.8
81.06580	4.6
81.07056	92.7
83.04963	8.4
83.08606	13.4
85.02888	4.7
85.06532	5.1
88.18639	2.6
90.42320	1.9
91.05479	70.8
93.07042	68.1
93.62448	1.9
94.07346	2.1
95.01317	3.6
95.04972	19.5
95.08606	48.5
97.02875	3.7
97.06527	29.0
97.10152	4.4
99.08063	3.2
103.17969	1.9
105.07027	77.1
107.04964	15.9
107.08599	39.2
108.92594	2.1
109.06517	16.3
109.10160	16.7
111.08073	6.2
115.05489	2.6
117.07014	26.8
119.08579	57.8
121.06510	5.5
121.10144	25.0
123.08059	8.5
123.11710	4.7
125.05936	2.2
125.09631	4.6
129.06975	8.6
130.07750	3.5
131.08563	40.1
131.45906	2.1
133.10132	52.7
134.10526	2.3
135.08072	6.1
135.11711	18.3
137.09604	6.2
141.06958	5.5
143.08530	7.2
145.06480	2.7
145.10123	43.6
147.08034	4.4
147.11690	28.6
149.09619	23.9
149.13260	8.3
151.11133	3.1
157.10117	12.1
159.11716	30.1
161.09647	3.4
161.13255	7.6
163.11154	19.6
165.09181	3.0
165.12537	2.1
169.10115	6.0
171.11728	8.8
173.13264	16.4
175.11096	3.0
175.14833	3.0
177.12697	6.7
179.14290	9.2
183.11662	8.6
185.13223	4.1
187.11179	5.9
187.14832	4.4
195.13747	3.3
197.13237	7.0
211.14792	2.5
213.16373	2.3
215.17972	2.7
219.17430	5.0
229.19470	6.8
239.18077	10.0
247.20474	7.8
257.19009	31.1
267.09094	8.6
269.10611	6.4
269.17426	4.4
273.85205	2.0
275.20084	69.8
276.20364	4.5
285.10196	12.7
286.10675	2.4
287.11713	4.3
292.64529	2.2
293.21185	2.9
331.23087	3.5
349.16974	3.9
349.23715	100.0
350.24011	5.6
367.18005	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39331	3.1
53.03941	6.3
55.01868	8.6
55.05513	29.3
55.37991	3.0
56.96552	4.5
57.03440	44.0
64.66846	3.1
65.03938	4.1
67.05508	80.9
69.07077	22.0
70.85607	9.2
71.04980	4.3
78.28846	3.3
79.05497	69.4
81.07057	71.8
83.04987	6.2
83.08628	12.4
85.06564	9.0
91.05479	100.0
93.07042	77.5
95.04968	13.7
95.08607	40.3
97.06516	7.6
97.10146	3.4
105.07032	92.8
107.04967	6.9
107.08598	43.8
109.06531	11.9
109.10144	22.9
111.08111	3.2
115.05515	5.1
117.07025	41.7
119.08581	76.4
119.09370	6.5
121.06543	6.3
121.10151	23.2
123.08095	9.2
129.07033	16.4
130.07796	4.2
131.08548	49.4
131.09412	4.9
133.10138	59.8
135.11708	10.6
136.03632	3.1
137.09625	5.3
141.07010	5.7
143.08556	15.3
145.10129	47.3
147.11687	41.6
149.09625	10.1
149.13342	3.7
155.08606	6.8
157.10146	18.6
159.11697	43.8
161.13272	15.9
162.97020	3.2
163.11192	4.9
169.10168	5.5
171.11716	10.2
173.13289	26.7
175.11169	4.2
175.14885	6.5
177.12796	4.3
183.11723	7.6
185.13284	23.1
187.11226	4.5
187.14777	4.1
197.13258	8.5
199.14809	3.2
201.16496	3.3
203.14345	11.8
219.17439	13.3
229.19556	7.6
239.18063	21.8
247.20724	6.2
257.19000	41.3
266.63989	3.8
275.20074	73.6
276.20404	4.0
277.18024	3.7
285.10114	4.8
349.19839	5.4
349.23819	87.3
350.23813	7.3
369.89096	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01876	3.5
55.05513	8.8
56.96569	3.0
57.03436	5.3
57.07066	1.4
61.02923	1.7
65.03931	1.0
67.05505	18.8
69.03426	2.0
69.06725	1.1
69.07070	10.6
69.89571	3.7
71.04994	1.8
73.02908	1.1
77.03943	0.7
79.05499	19.6
81.03424	1.5
81.07059	25.3
83.04986	2.2
83.08644	3.2
84.08138	0.7
85.02914	2.0
85.06557	1.1
91.03986	0.9
91.05481	18.0
93.07050	17.2
95.04967	4.6
95.08610	14.3
96.08148	1.8
97.02896	1.8
97.06535	4.5
97.10184	1.3
98.97555	0.6
103.05448	1.1
105.07034	17.7
107.04984	3.2
107.08599	11.9
109.06523	4.4
109.10159	6.7
111.04453	0.7
111.08101	1.8
112.07640	0.7
113.09692	0.8
117.07027	8.0
119.08584	12.7
121.06496	1.8
121.10142	7.7
122.08717	0.6
123.08093	1.4
123.11716	2.5
125.09660	1.5
127.03992	0.8
129.07014	2.7
130.07846	1.1
131.08575	10.0
133.10144	11.0
135.08089	1.7
135.11702	4.7
137.05797	2.7
137.09628	2.2
137.13307	0.8
141.07021	1.3
142.07823	0.7
143.08601	2.2
145.06560	0.7
145.10130	12.3
145.11267	0.7
146.99681	0.7
147.08119	0.9
147.11694	7.6
149.02324	0.8
149.09583	3.2
149.13321	1.2
151.11201	1.2
153.05482	1.1
155.08586	1.5
156.99095	0.6
157.10152	2.7
159.11702	8.0
160.08124	0.6
161.09601	1.2
161.13246	3.3
163.11208	2.8
163.14877	0.8
165.12823	1.0
168.46103	0.6
168.91231	0.6
169.10201	1.5
171.11650	3.3
173.13217	5.3
175.11266	1.2
175.58972	0.7
177.05533	0.9
177.12758	0.8
179.14297	1.3
181.05025	1.0
181.10088	0.7
183.11736	1.2
185.13246	1.1
187.11212	1.1
187.14865	1.1
193.12337	1.1
194.11890	0.9
197.13292	1.8
199.14751	0.6
213.16304	0.8
215.17990	1.3
221.11533	1.0
228.01892	0.7
229.19586	1.6
239.18039	2.8
243.08910	0.7
247.20656	2.1
253.12956	0.9
257.19009	9.7
257.54453	0.6
269.10361	1.2
271.14023	1.1
273.10410	0.7
275.20093	13.3
285.10062	1.6
287.11749	0.8
293.20987	0.6
340.15689	0.8
348.65408	1.3
349.19940	100.0
349.23917	25.0
350.20313	2.6
350.23865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01865	1.4
55.05516	3.7
56.05021	4.0
57.03423	7.6
58.99590	12.3
60.04515	3.5
67.53536	0.8
69.03423	1.3
69.07039	1.2
70.06614	1.4
70.53588	1.9
70.53986	2.3
72.08153	1.4
76.02233	8.8
79.05117	1.1
79.05495	11.1
81.07056	88.3
84.04507	68.7
84.08155	2.0
85.01127	3.6
85.02927	1.4
86.00666	5.5
86.09686	3.6
86.99053	11.6
87.02694	49.1
88.04009	1.3
89.78571	1.0
91.05515	1.2
95.08604	1.9
98.09673	2.7
99.08099	14.5
102.05544	2.3
105.00092	12.0
109.02888	1.0
110.07165	4.9
113.04229	4.3
122.02730	65.8
130.04996	13.6
131.01726	0.9
132.01144	17.8
142.03273	4.7
143.11702	1.0
156.08400	4.2
157.06798	2.1
157.11719	0.9
159.04745	15.8
174.09494	3.7
176.07349	1.1
188.03754	5.2
202.08965	100.0
203.07381	28.9
203.09200	1.6
210.11232	2.5
220.10042	19.5
234.04268	4.6
251.07007	4.1
260.04117	1.0
278.85062	1.1
286.11081	4.3
331.13287	6.0
332.11725	3.6
349.14218	11.5
349.18192	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1283
Annotation	Syringopicrogenin B
Peak:m/z	Relative Intensity
52.52768	1.0
53.03949	3.6
55.01869	3.4
55.05503	4.8
56.96562	1.6
57.03437	3.7
65.03946	2.5
67.05518	7.4
69.03424	4.0
69.07059	5.9
71.60409	1.8
72.08118	1.1
77.03911	1.1
78.04721	2.3
79.05063	2.0
79.05495	22.4
81.03411	1.7
81.07056	16.5
83.05011	2.1
83.08625	2.8
84.08126	1.7
85.02908	1.9
85.06528	2.2
91.05482	14.7
93.07048	10.0
94.04167	1.7
95.04986	7.2
95.08603	5.7
97.02884	2.7
97.06532	4.0
97.10162	1.6
101.39074	1.1
103.05476	8.8
105.03404	2.6
105.04485	1.5
105.07023	11.6
105.43661	1.0
107.04959	26.4
107.08585	11.6
109.02875	1.5
109.06509	15.0
109.10167	3.7
111.04459	1.9
111.08069	2.4
115.05442	1.3
117.07014	3.1
119.04969	7.0
119.08588	6.8
120.05721	1.1
121.02915	1.3
121.06509	4.9
121.10172	4.9
122.06060	1.2
123.04442	9.1
123.08073	2.4
123.11674	1.2
124.05204	4.4
125.02396	1.4
125.06011	3.0
127.03898	1.2
130.04126	1.1
131.04910	6.6
131.08580	5.0
132.05695	2.3
133.06526	3.1
133.10136	6.5
135.04416	4.7
135.08041	5.6
135.11685	1.5
136.05203	4.6
136.06168	1.6
136.07576	1.1
137.05981	29.9
137.09624	1.8
139.03929	5.0
139.07524	11.6
143.05615	2.3
145.06477	2.1
145.10117	7.6
147.04408	13.4
147.11662	5.9
148.05180	4.5
149.06004	4.0
149.09607	3.4
151.03944	4.0
151.07523	1.7
152.04637	1.4
153.05469	6.3
154.06270	6.1
155.07039	1.3
159.04488	1.2
159.11752	2.8
161.06012	2.0
161.13303	1.6
163.03905	9.2
163.07590	12.5
163.11221	1.9
165.05476	16.0
165.06763	1.9
165.87849	1.3
167.07036	6.8
169.04979	3.5
171.11789	2.5
173.13335	1.7
175.04066	1.3
176.04729	1.5
177.05518	5.1
179.92993	1.3
181.05031	2.9
182.05731	9.0
183.06516	4.7
183.11700	1.3
184.07317	10.7
185.08080	5.5
187.11211	1.4
191.07018	21.6
192.07750	3.9
193.04967	3.3
195.06541	20.5
197.08090	100.0
198.08456	2.5
207.06578	2.8
207.13913	1.2
208.07375	3.1
211.07523	2.1
223.09671	22.7
224.10309	2.7
227.09154	26.7
239.06860	1.2
257.19070	6.2
271.09769	2.0
274.15869	1.2
275.20004	10.5
299.09082	1.5
303.12317	10.7
317.10236	1.2
331.11707	3.5
349.09274	3.4
349.13382	1.3
349.23782	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	349.0918
Annotation	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
Peak:m/z	Relative Intensity
53.03927	1.1
53.57342	0.8
55.01868	2.6
55.05502	2.7
57.03432	2.1
59.85500	0.8
60.56064	0.7
60.60806	0.8
65.03944	2.9
67.02624	0.9
67.05502	4.4
68.99795	1.2
69.03415	1.3
69.07056	2.8
69.48676	3.1
69.49102	4.6
76.28449	0.9
77.03902	1.3
79.05492	5.6
81.03408	4.3
81.07052	6.7
83.04990	1.0
83.08620	1.6
85.02874	1.6
91.05477	6.6
92.06292	0.9
93.03442	1.3
93.07053	4.6
95.01328	2.4
95.04979	4.9
95.08575	2.0
97.02882	3.8
97.06547	2.4
99.00773	1.0
105.03394	4.1
105.07045	5.6
107.04949	3.6
107.08583	4.4
109.02879	20.1
109.03590	1.6
109.06515	2.2
109.10149	1.9
111.04425	1.6
115.05444	1.1
117.07041	2.1
118.06543	1.5
119.04968	1.1
119.08584	3.1
120.05740	1.5
121.02869	12.5
121.06538	1.6
121.10135	2.6
123.00832	0.9
123.04449	2.9
123.08080	0.8
125.02353	2.5
125.06009	1.8
125.09678	1.1
126.03142	3.7
129.06932	0.8
131.04994	1.1
131.08571	2.7
133.02849	7.5
133.10143	3.4
135.04417	2.1
137.05933	2.5
137.09647	1.2
138.03111	10.4
139.03911	1.7
141.01785	1.4
141.05481	3.1
145.10081	4.9
146.05998	2.7
147.04463	1.0
147.11665	1.3
149.02341	50.2
150.03091	2.9
153.05464	68.9
155.03409	3.6
155.04770	1.2
155.08629	1.1
157.04965	11.6
158.05994	1.3
159.11685	2.3
161.02367	2.0
161.13286	1.0
162.12779	3.9
163.03929	1.0
165.05470	8.9
166.02625	2.8
166.06277	2.3
167.03424	4.7
168.00537	5.0
169.04964	22.9
171.11853	1.2
172.11288	1.0
173.13371	1.1
177.01846	1.9
177.05486	1.4
178.02655	0.9
179.03351	1.0
181.04959	57.7
183.02901	12.6
183.04471	1.5
185.04491	1.1
186.01646	2.9
191.03575	0.9
193.04997	4.0
194.02126	12.4
200.04701	1.2
200.10692	2.3
203.03392	1.7
209.04451	45.8
215.51067	1.0
217.05049	1.4
225.05504	1.1
228.04211	1.3
228.10170	2.3
229.04933	1.4
239.17941	1.6
241.62254	0.9
242.05789	3.0
243.06584	2.3
246.11247	3.0
247.06131	1.2
255.02869	1.0
257.19095	3.9
261.07660	2.4
270.05243	5.4
271.05923	4.9
273.03925	3.4
275.09128	1.0
275.20111	3.5
287.05606	1.8
289.07050	2.4
298.04657	2.3
299.05499	2.3
301.03564	2.3
303.08463	1.9
315.04999	2.7
316.05762	12.1
317.06503	5.0
321.09656	7.0
331.08109	26.8
349.09177	100.0
349.23544	6.3
350.09509	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	349.0918
Annotation	3,5,7,3',4',5'-Hexahydroxy-6,8-dimethylflavanone
Peak:m/z	Relative Intensity
54.41177	0.8
55.01855	1.1
65.03949	2.6
67.05504	1.4
68.99802	1.9
69.03427	1.2
70.86002	2.0
71.16065	0.8
77.03931	0.9
79.05494	3.1
81.03423	3.7
81.07067	1.8
85.02921	1.1
91.05479	4.5
92.05822	1.0
93.03384	2.2
93.07047	1.3
95.01322	1.4
95.04987	3.4
97.02892	2.9
97.40184	0.8
99.00815	0.8
99.04485	0.8
105.03397	3.3
107.04961	2.7
107.08604	1.0
109.02883	18.0
110.03675	0.9
111.04465	1.7
119.08591	1.6
120.05677	1.1
121.02869	11.0
123.04427	1.7
125.02355	2.8
125.05980	2.4
126.03178	4.3
133.02840	8.1
135.04401	2.2
136.06190	3.2
137.02321	1.3
137.05984	2.4
138.03119	9.6
139.03918	1.5
141.01810	1.1
141.05478	5.2
143.92520	1.0
147.04474	1.1
148.05193	1.1
149.02350	48.0
150.03076	3.2
151.03914	2.7
153.05472	66.5
154.02602	1.2
155.03392	2.0
156.04109	0.8
157.04965	9.1
159.11700	1.3
161.02364	1.4
163.03918	1.6
165.05484	8.8
166.02626	2.9
166.06255	2.8
167.03374	2.3
168.00543	2.8
168.05687	1.2
169.01291	1.6
169.04971	22.8
170.02202	1.3
177.05495	1.2
179.03372	1.1
181.04964	58.9
183.02888	11.2
185.04427	1.7
185.05998	0.9
186.01563	5.0
187.03865	0.9
191.03409	0.9
193.04974	3.9
194.02133	14.9
195.02821	1.0
198.06812	1.0
200.04776	1.1
209.04459	45.9
219.06462	1.3
225.05571	2.0
229.04855	1.8
242.05788	3.2
242.63086	0.8
243.06586	1.8
245.04546	1.2
247.06053	1.2
256.03781	1.1
261.07724	1.6
270.05234	8.6
271.06052	3.2
273.04025	2.8
275.09012	2.0
285.04034	1.4
287.05344	1.9
289.07059	1.6
298.04733	1.8
299.05536	2.6
301.03448	4.3
303.08569	2.0
315.04977	4.3
316.05789	13.2
321.09686	6.2
331.08145	22.7
349.09183	100.0
349.20395	1.7
350.09396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0895
Annotation	Pibocin B
Peak:m/z	Relative Intensity
56.96569	8.2
61.02911	5.0
67.03757	12.8
69.03427	15.4
70.06588	10.7
71.58469	10.2
80.18288	5.3
84.08163	24.2
85.02912	16.3
85.36848	5.6
97.02885	5.8
97.04747	5.5
98.97587	10.3
116.98632	8.0
119.01916	21.2
119.76860	4.8
119.97794	5.9
131.01898	8.4
134.99678	4.8
140.55679	5.1
155.00050	5.0
156.87245	5.9
168.99788	5.9
169.06851	23.0
177.00839	6.1
186.04709	13.0
186.54851	7.9
187.00935	11.0
187.07919	20.3
205.08943	8.4
215.00385	15.5
216.25116	5.0
229.02061	7.1
247.03046	21.7
349.04364	7.0
349.05206	4.7
349.08527	100.0
349.13235	8.8
349.16910	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	349.0896
Annotation	Pibocin B
Peak:m/z	Relative Intensity
56.96550	16.4
67.05463	8.3
67.81078	5.1
69.88499	32.1
84.04501	6.0
85.02901	9.5
86.09680	6.3
97.02876	7.6
97.75338	5.3
98.97569	13.3
116.98616	12.8
119.04894	9.2
121.02872	5.1
126.83400	5.2
127.03871	5.2
128.98579	9.0
131.42961	5.2
144.06665	6.6
147.04379	11.7
163.02690	6.6
163.03925	11.0
173.01361	5.3
179.18393	5.0
217.08432	7.2
219.01778	7.5
234.98976	6.8
237.02786	22.2
279.59531	6.6
307.06848	20.9
331.04523	7.6
349.08841	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03787	3.3
50.95691	3.3
55.01870	3.5
56.96557	9.1
57.03423	4.0
60.04519	4.1
60.79436	4.4
61.02921	8.5
69.03423	15.2
70.06567	6.1
71.04987	7.0
71.59035	5.6
73.02916	4.5
74.06069	5.5
80.32693	4.2
81.03416	6.8
84.04493	7.0
84.08112	3.3
85.02426	6.7
85.02906	100.0
86.09689	13.2
89.03905	5.6
91.03951	6.4
95.04955	3.6
97.02913	26.1
98.97580	4.9
99.04431	5.2
109.02859	10.3
113.37169	3.7
123.03551	7.5
123.04418	83.1
126.05479	6.5
127.03907	26.7
132.10214	6.7
135.04410	8.8
136.06190	11.7
144.06573	6.7
145.04956	42.2
163.03874	28.7
163.06017	4.4
164.04225	7.4
169.04948	35.6
180.08640	6.9
186.07759	4.2
189.08688	9.6
217.08168	9.7
220.06021	3.9
237.00714	4.5
237.02855	5.0
332.83859	3.8
348.13483	5.0
349.09009	6.5
349.14835	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	348.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16723	1.0
52.59288	1.2
55.01860	3.6
56.05014	2.3
56.96556	5.3
57.03428	3.5
60.04509	1.7
61.02917	4.3
67.05502	2.2
69.03428	12.2
70.06573	1.8
70.78981	2.6
70.79340	1.9
71.04960	1.9
72.04549	1.6
72.08151	4.1
72.93736	1.1
73.02888	3.9
74.00636	1.2
74.06082	1.8
81.03397	4.7
83.04954	2.2
84.04488	3.5
84.08122	3.8
85.02905	35.2
86.09720	7.7
87.10007	1.4
88.03966	1.6
91.03876	1.4
95.04963	4.7
96.32342	1.1
97.02892	12.6
98.97573	3.1
98.98449	2.2
99.04403	2.0
99.05566	1.5
101.02390	1.1
106.05022	2.0
107.04913	1.4
109.02881	3.4
110.06026	1.9
111.04430	1.5
114.06635	1.5
115.03888	1.5
116.98603	2.9
121.02884	1.2
122.06043	2.6
123.04427	100.0
127.03931	7.9
128.98650	1.9
130.04994	1.6
130.08652	1.5
134.99606	1.5
136.06183	88.0
137.06018	1.8
140.04500	1.2
140.07056	3.4
144.04042	18.9
145.04999	6.9
145.05974	1.6
150.05542	1.6
151.03896	24.9
158.05919	1.8
160.07161	2.1
162.05486	1.3
163.03923	3.1
163.99612	1.3
164.99489	2.3
167.07042	8.4
168.04083	1.8
169.04953	46.2
176.08191	9.4
177.00752	1.8
177.04271	1.6
180.08618	3.1
182.08061	2.0
186.05110	23.6
186.06538	2.3
188.08197	14.2
189.06627	1.9
197.12833	2.3
198.05083	2.0
203.09251	4.3
214.06110	10.2
215.13933	2.4
216.07764	1.5
227.48799	1.3
237.02798	3.2
244.05672	3.1
259.08340	4.4
303.10834	16.0
348.06760	3.3
348.13559	28.5
348.19855	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
53.75628	0.4
54.27464	0.4
55.05500	0.6
57.07065	1.6
67.05503	0.6
70.06622	2.8
70.06938	0.8
70.14611	1.2
70.15029	1.2
71.06927	0.7
71.08604	0.8
79.05482	0.6
81.07056	0.8
88.07623	3.6
89.07971	0.9
91.05495	0.8
95.05003	0.5
95.08591	0.6
102.09180	2.5
103.09491	0.7
104.47301	0.5
105.07027	0.9
106.98166	0.5
109.10152	0.6
119.08565	0.6
125.89799	0.4
131.08536	0.5
136.20229	0.5
156.72028	0.4
157.10127	0.5
169.08354	0.6
263.17908	0.5
265.19403	0.6
277.14087	0.9
284.29514	0.8
285.29800	7.3
329.32321	0.7
346.32880	0.5
347.21933	100.0
347.33466	21.2
348.22284	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	348.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01869	2.7
56.05031	3.0
56.96563	3.9
57.03432	5.1
60.04515	3.4
60.93524	1.3
61.02926	4.2
69.03432	10.2
70.06576	3.1
70.79086	2.3
70.79460	2.5
71.04998	2.2
72.04532	2.4
72.08150	5.2
73.02905	2.0
74.06088	2.9
79.69220	1.0
81.03441	4.3
84.04500	6.8
84.08141	3.3
85.02902	36.7
85.08433	1.5
86.09708	11.5
87.04492	1.5
87.10038	1.5
88.03988	2.0
91.03942	2.0
91.05474	1.2
95.04961	4.0
95.06081	1.5
96.04491	1.8
97.02880	13.8
98.97556	2.3
98.98476	1.6
99.04441	2.3
99.05582	2.3
100.07664	1.3
102.05540	2.5
106.05051	2.1
109.02865	3.5
110.07151	1.8
114.06664	3.2
116.98595	2.7
119.03556	1.7
122.06072	2.0
123.04426	100.0
127.03917	8.5
128.07045	1.2
128.98578	1.6
129.01779	1.3
130.05005	2.1
132.10226	1.2
134.04541	1.8
134.99614	2.5
135.04463	2.1
136.06184	67.7
137.04648	1.1
137.05846	1.5
140.07063	1.8
140.27492	1.0
143.05638	2.0
144.04059	12.5
145.01614	1.3
145.04984	5.8
146.99602	2.0
147.07651	1.5
149.06035	1.5
151.03899	23.6
155.04709	1.3
158.06114	1.6
158.99724	1.8
160.07179	5.2
163.03923	2.6
164.99440	2.6
167.07021	14.7
167.19934	1.1
169.04962	52.0
171.04007	1.5
173.12886	1.8
176.08174	11.0
177.04216	1.3
179.26094	1.2
180.08748	3.2
182.08136	1.3
186.05150	12.2
186.06525	1.1
186.07771	1.8
187.14401	2.3
188.08202	14.0
189.06587	1.2
198.05151	2.4
203.09259	4.7
214.06158	8.3
215.13864	2.4
217.05615	1.5
217.08257	1.9
219.01782	1.6
228.06270	1.7
235.09253	1.8
237.02829	3.5
244.05684	4.3
258.07288	1.7
259.08340	4.0
260.17572	1.2
288.08289	1.9
303.10928	11.9
330.18652	1.5
348.06714	1.9
348.09979	9.3
348.13071	23.6
348.19751	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.6
57.07061	2.2
60.43039	0.5
63.88704	0.5
67.05486	1.3
69.07066	0.6
70.30974	0.5
71.08620	0.7
75.35088	0.5
79.05477	0.9
81.07037	1.6
83.08640	0.5
88.07598	0.7
91.05459	0.9
93.07012	0.8
95.04945	0.7
95.08628	0.5
96.37956	0.5
105.07053	1.0
119.08569	0.8
138.17889	0.5
147.11505	0.5
149.02322	2.3
193.04967	5.2
224.65625	9.1
225.15791	1.2
235.13033	0.8
249.14523	0.6
327.53677	0.6
347.21927	100.0
347.77560	0.8
348.22205	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.96561	1.0
61.08924	0.4
64.03376	0.4
67.05483	0.5
70.34734	1.2
73.61967	0.4
105.07092	0.5
130.71291	0.5
143.02756	0.4
152.30394	0.4
194.06859	0.4
261.03784	0.5
261.14597	4.4
278.67197	0.4
347.21939	100.0
348.22284	1.9
363.08194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
51.75427	0.4
54.07005	0.4
56.96578	0.6
57.07080	1.1
64.59856	0.7
67.05501	0.7
69.07070	0.5
69.54731	2.4
69.55161	1.7
79.05504	0.7
80.35188	0.5
81.07049	0.7
88.07610	0.7
91.05482	6.4
93.05253	0.5
95.08591	0.8
100.11600	0.5
105.07003	0.5
119.08662	0.6
135.08089	0.8
136.83704	0.5
148.32529	0.6
161.09770	0.5
172.33711	0.5
193.04993	1.2
198.12804	1.0
201.84506	0.5
248.41039	0.6
277.14072	1.2
347.21948	100.0
347.33524	1.7
348.22424	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.149
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
51.02376	1.7
53.03939	4.7
55.01864	7.0
55.05507	2.3
56.96555	2.2
58.29736	1.5
63.02958	1.3
64.39474	1.5
65.03925	3.6
67.05482	3.8
67.16519	1.5
69.03423	7.0
69.07050	3.0
70.06584	5.4
71.60022	2.1
71.60413	1.9
72.08155	3.1
76.02309	1.4
77.23399	1.6
77.59139	1.4
78.04714	3.4
79.05487	15.3
79.17936	1.3
81.03417	2.8
81.07066	4.4
83.04964	1.9
83.06133	2.5
84.08134	3.3
85.02899	2.9
86.09688	3.6
91.05485	43.8
93.07036	11.1
94.06560	2.4
95.04970	15.6
95.08637	1.9
97.02855	3.0
99.04439	2.2
103.05464	12.8
105.07030	7.8
107.04951	42.9
107.05625	3.4
107.08604	3.0
109.02929	1.8
109.06529	3.5
111.04446	3.4
115.05454	4.6
116.06222	1.6
116.98640	1.8
117.03335	1.7
117.06987	5.0
118.04083	1.6
119.04908	8.4
119.08598	6.6
120.05682	2.0
120.08089	2.4
121.02833	1.9
121.06506	30.2
121.10103	3.1
122.03702	2.9
123.04438	23.2
124.05194	5.0
125.05972	5.0
128.06235	8.2
129.07010	29.6
131.04898	7.1
131.08578	5.7
133.02879	4.6
133.06496	3.2
134.03635	3.3
135.04385	4.9
135.08075	3.8
136.75195	1.9
137.02330	1.9
137.05003	3.0
137.05975	32.1
139.03894	5.1
140.04674	4.3
140.07068	2.1
141.07111	2.2
143.05630	4.0
143.10696	1.8
145.06491	7.3
147.04413	64.9
147.08023	17.2
148.05165	2.3
149.05983	30.8
150.06786	1.9
151.03918	4.0
151.07542	6.2
152.04691	3.9
152.06134	3.8
153.05461	22.1
153.06828	3.6
155.07060	2.3
155.08540	1.8
157.06490	18.6
160.05190	3.2
161.05960	11.2
162.06740	2.3
163.03914	5.8
163.07556	10.5
163.26219	1.6
165.05484	8.1
165.06998	11.0
165.09135	2.5
166.05074	1.7
166.06238	8.3
166.07614	1.8
167.03368	2.2
167.07063	89.1
167.08583	8.8
167.10696	2.6
169.06494	3.1
172.03944	3.0
174.04474	3.5
175.07549	100.0
176.07982	2.1
177.05511	2.6
177.06950	2.7
177.09113	2.5
179.07002	6.6
179.08475	2.6
180.07791	9.4
181.05119	2.8
181.06549	7.9
181.08591	81.4
182.07233	2.4
183.08054	2.8
184.05215	2.0
187.07607	3.2
189.09085	4.0
190.07796	2.2
190.29501	1.7
191.08556	5.0
193.04958	2.2
193.06525	4.4
193.08589	16.6
194.07387	3.8
195.06502	2.6
195.08078	17.8
196.06113	2.2
197.05988	5.3
197.09612	3.6
198.06697	3.6
204.06459	2.1
205.06720	5.2
206.07176	5.1
207.06488	2.5
207.08214	2.4
208.08826	3.1
209.06062	3.9
209.09602	2.6
210.06793	3.8
211.07535	9.0
213.05432	1.8
213.08955	4.6
219.08096	4.1
221.05943	5.1
222.06660	4.7
223.07613	8.9
223.11110	4.2
225.05482	2.6
225.09163	5.8
226.06227	7.3
227.07069	5.2
228.07620	3.5
235.07584	2.5
236.08427	3.8
237.02803	1.6
237.05525	4.3
237.09065	6.0
239.07039	6.6
240.07823	4.6
241.05156	1.8
241.08611	7.4
243.06140	2.2
243.10199	6.0
247.07559	3.0
251.07132	5.0
251.10727	6.9
253.08630	6.1
254.05789	2.2
255.10312	2.4
257.08029	2.0
265.08380	3.7
269.08075	12.5
269.11511	3.9
270.08722	3.4
271.06589	2.8
271.09583	15.5
272.10120	2.9
273.11258	2.6
279.10147	7.1
283.09698	5.2
283.13177	4.7
285.11264	4.5
286.05130	2.3
286.08240	3.4
288.09836	4.8
293.11823	2.1
297.11237	8.4
301.10696	30.2
303.12241	9.4
311.12936	4.1
329.10770	1.6
329.14099	14.9
347.07782	3.7
347.15271	13.0
347.21854	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	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
50.49448	0.8
55.05516	5.2
55.14760	0.7
69.03408	3.6
70.06570	0.7
71.12036	1.1
71.12379	1.6
81.03402	1.2
81.07036	0.9
83.08603	3.9
84.08144	11.5
85.02894	5.4
86.09690	1.5
91.05441	1.5
97.02891	4.2
115.03902	3.0
119.01904	1.0
123.04426	1.0
127.03912	1.1
129.10275	0.8
133.04930	1.0
136.06165	4.3
136.07506	0.9
137.05959	1.8
145.05089	1.1
163.03906	0.9
167.06870	2.0
171.04951	1.0
185.04231	2.9
185.07849	10.1
203.05254	8.7
279.14386	1.2
284.18335	1.2
285.13177	4.8
301.12564	66.6
308.13965	0.8
323.13495	1.0
347.13104	100.0
347.21860	3.7
348.13416	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05161	0.7
53.35796	0.7
56.08887	0.9
59.48867	0.7
69.03421	1.7
69.07053	0.8
69.89831	4.4
79.93221	0.7
85.02895	1.8
86.09704	1.8
116.42575	0.6
119.02741	0.7
123.04471	1.0
136.43608	0.8
153.07024	1.0
167.06793	1.5
185.04369	1.7
185.07843	9.1
195.02850	0.8
203.05290	6.0
237.35695	0.7
241.08818	0.8
250.61195	0.9
258.08954	1.0
272.10373	1.6
285.13123	4.6
301.12582	52.0
302.12927	1.5
347.13135	100.0
348.13470	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.01846	1.1
55.05503	1.9
56.96552	2.9
57.03429	0.9
60.04520	2.2
69.03408	3.0
69.07050	1.3
69.58283	7.2
70.06594	1.2
72.08142	1.9
73.56573	0.8
81.03432	1.5
81.07042	1.1
82.99860	1.0
83.04974	4.1
83.06070	1.0
84.04483	2.7
84.08125	3.0
85.02898	3.3
86.09710	3.8
89.03926	2.2
91.05507	1.0
92.33015	1.0
97.02884	1.6
97.06547	2.4
98.20757	1.9
103.54778	1.0
109.06562	1.1
111.04468	1.1
115.03293	1.0
115.06232	1.2
116.98614	1.3
117.03403	1.1
119.01961	2.7
119.04939	1.2
122.02680	1.1
123.04435	1.6
127.03918	1.3
128.98576	1.1
134.99683	2.6
135.04427	3.9
136.06303	1.1
137.05994	1.4
143.01903	3.1
145.02774	1.4
147.04494	1.4
157.90031	1.0
161.01202	2.0
161.02925	5.5
163.03917	11.3
167.07025	1.2
185.04407	1.0
185.07895	3.5
200.13959	1.7
203.03818	1.3
203.05510	1.0
213.00768	1.6
216.09793	1.7
227.05626	1.0
227.07616	1.5
237.00751	1.4
237.02878	2.1
240.95393	1.1
285.13144	12.1
329.11923	3.3
329.18439	1.2
347.13123	100.0
348.13568	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1126
Annotation	Hamiltone B
Peak:m/z	Relative Intensity
51.02389	0.9
53.03941	2.4
55.01870	1.3
55.05495	2.1
56.96550	1.0
57.03424	1.7
57.56359	0.9
60.45489	0.9
62.22727	0.9
65.03936	1.8
67.05508	5.7
68.99781	2.9
69.03417	1.8
69.07067	2.1
70.20097	1.7
70.20496	2.9
75.04461	1.7
79.05492	13.8
81.03411	3.0
81.07060	5.5
81.94135	1.1
83.04963	1.4
85.02901	1.3
91.05474	11.2
93.07045	5.1
95.04971	8.1
95.08590	3.6
97.02868	1.2
97.06538	1.8
98.97592	1.4
100.07609	1.4
103.05503	1.6
105.03380	4.7
105.07040	5.3
106.04185	1.1
107.04955	53.3
107.08576	3.0
108.05766	1.4
109.02856	3.4
109.06493	2.5
109.10164	2.7
110.03666	1.2
111.04446	21.5
117.06992	1.8
119.04939	3.4
119.08556	2.8
121.02832	2.4
121.06500	11.6
121.10111	1.6
122.03634	1.5
123.04431	11.6
123.08078	1.6
125.02328	6.8
125.05976	4.2
127.03896	1.5
129.06999	2.2
131.08528	3.6
133.02861	2.2
133.06477	1.7
133.10110	1.9
134.03592	1.8
135.04414	100.0
136.05222	7.9
136.06087	1.5
137.02336	31.4
137.05980	7.4
138.03091	1.5
139.03867	7.2
139.07520	2.3
139.11156	1.2
140.04657	2.4
141.05467	4.0
141.06985	1.3
143.08546	2.0
145.10100	3.3
147.04420	17.1
147.11740	1.3
148.05122	2.9
149.02303	3.3
149.05971	9.1
151.03979	5.2
151.07536	27.8
152.04660	3.4
152.08238	1.3
153.01816	5.7
153.05461	17.1
154.06227	3.1
155.03511	1.7
155.07019	3.4
157.10107	1.3
159.04518	1.1
159.11716	1.2
161.02332	7.0
161.06056	1.7
161.13312	1.0
162.03146	2.2
163.03905	59.3
163.07542	1.4
164.04645	4.3
165.05432	4.2
166.06241	12.4
167.03384	1.0
167.07047	3.9
168.04193	12.1
169.01259	1.0
169.04961	17.3
169.06354	1.6
170.05717	9.5
171.07976	1.4
171.11674	1.9
175.03935	1.5
175.11038	1.3
177.05479	7.0
178.06250	41.9
179.03389	6.2
179.07024	27.4
180.07771	1.1
181.04971	3.6
181.06418	1.2
181.07170	1.2
181.08597	10.4
182.05713	11.0
183.02943	1.5
183.06529	23.9
184.05746	1.2
184.07304	7.3
185.08083	18.1
185.09636	2.0
186.01559	2.8
191.03323	1.4
191.32950	0.9
193.04979	3.4
194.05736	4.6
195.06526	3.4
197.06226	2.4
197.08095	13.3
199.07532	1.9
201.05362	1.8
204.04164	2.8
205.04929	1.5
206.05746	3.6
207.02873	6.8
207.06548	5.1
209.08083	52.7
211.07664	1.6
211.09630	3.6
212.04689	2.1
213.05457	3.0
213.12784	1.1
215.06990	1.4
222.05176	4.6
227.07036	6.4
228.07726	1.4
229.04959	2.4
237.05478	2.1
237.07567	26.4
239.07111	1.5
240.04080	1.8
241.05046	1.7
243.06458	3.2
251.07040	1.3
253.05093	1.6
255.06528	6.0
256.07391	1.7
257.04501	2.5
259.09583	9.1
267.06516	2.3
269.08078	2.1
271.06006	6.2
271.09479	2.1
272.06747	3.8
273.07474	2.5
273.18472	2.8
283.05978	5.1
284.06396	1.2
287.09171	10.8
288.09900	9.1
296.06805	1.4
297.07529	2.4
299.05533	11.5
299.08694	1.9
300.05936	1.4
301.07059	2.3
301.10617	2.9
301.22668	1.2
304.09399	1.3
313.06897	1.5
314.07678	5.6
315.05157	2.4
315.08649	7.8
319.11761	37.3
319.28043	1.2
329.06665	1.6
329.10172	26.2
347.07495	12.1
347.11246	55.3
347.22668	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	347.1125
Annotation	Hamiltone B
Peak:m/z	Relative Intensity
52.03131	1.1
53.03945	1.1
55.01861	2.4
55.05499	1.7
57.03436	2.0
65.03925	2.1
67.05502	6.5
68.99789	3.3
69.03432	1.6
69.07053	3.2
70.98943	3.4
79.05495	9.9
81.03394	3.8
81.07043	6.1
83.05000	1.7
83.08595	2.2
91.05487	12.4
93.07054	6.5
95.04950	5.3
95.08596	3.3
103.05500	1.5
105.03380	2.9
105.07037	6.1
106.04175	1.1
107.04958	46.3
107.08598	3.4
109.02802	1.8
109.06517	2.6
109.10169	2.3
111.04437	18.6
111.08108	1.2
117.07001	3.1
119.04915	2.1
119.08585	2.2
121.02882	1.8
121.06512	10.4
121.10129	1.1
123.04427	7.9
123.08036	2.3
124.05158	1.4
125.02334	4.9
125.06003	3.4
129.06995	2.5
131.07230	1.0
131.08528	3.8
133.02821	1.7
133.10133	2.0
134.03593	1.1
135.04416	100.0
135.11693	1.3
136.05217	5.3
137.02330	23.8
137.05951	7.7
139.03938	3.4
139.07492	2.6
141.05484	3.5
145.06467	1.4
145.10124	2.3
147.04413	14.8
147.11720	1.0
148.05186	3.6
149.02344	2.4
149.05981	5.3
149.09624	1.7
151.03917	3.7
151.07533	23.8
152.04715	2.6
152.08272	1.2
153.01859	5.3
153.05464	12.3
154.06244	2.2
155.03354	1.4
155.06995	2.6
157.10127	2.8
159.11694	1.7
161.02330	4.8
161.05956	2.1
161.09631	1.8
163.03906	50.8
164.04639	4.7
165.05463	3.9
166.06271	12.0
167.07048	2.5
168.04163	10.1
169.04973	12.4
170.05760	8.5
176.04630	1.2
176.14316	1.4
177.05438	5.1
178.06247	37.6
179.03421	4.6
179.07034	24.7
181.04980	2.3
181.08595	8.7
182.05737	12.2
183.06541	20.7
183.08031	1.3
184.05159	1.2
184.07344	5.9
185.06255	1.4
185.08083	17.2
186.01640	1.4
187.03937	1.5
191.03418	2.3
193.04947	2.1
194.05746	5.0
195.06454	1.8
195.11650	1.2
197.06088	2.3
197.08081	9.9
204.04121	1.9
206.05716	3.6
207.02925	2.5
207.06497	2.6
209.08089	51.8
211.07619	1.5
211.09650	3.4
212.04778	1.5
213.05455	3.4
215.06967	1.5
222.05254	4.5
225.05548	1.5
227.07004	4.5
228.07841	1.9
229.04958	2.0
229.08731	1.1
237.05247	2.1
237.07571	29.4
239.03439	1.2
239.06866	1.7
240.04189	2.2
243.06549	1.8
244.03746	1.3
245.08113	2.9
253.04929	1.8
255.06433	6.1
256.07288	2.0
259.09665	7.0
271.06021	4.9
271.09680	2.3
272.06613	2.6
273.07608	3.4
273.18457	3.4
281.04330	1.3
283.05963	4.4
285.07608	1.3
286.04636	1.9
287.05817	1.7
287.09045	11.2
288.09949	9.3
295.05972	1.2
297.07553	1.9
299.05499	6.7
301.06937	2.1
304.09399	1.5
313.06937	1.8
314.04352	1.5
314.07767	5.4
315.05090	1.2
315.08585	5.4
319.11758	33.8
329.06717	1.2
329.10172	21.1
347.07544	7.2
347.11252	47.9
347.22888	7.9
347.26990	1.6
362.60318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1127
Annotation	Laurentiquinone
Peak:m/z	Relative Intensity
50.18216	0.8
51.02393	1.0
52.93126	1.1
53.03942	1.7
55.01874	1.2
55.05501	1.4
56.96588	0.9
57.03428	1.0
65.03930	3.1
67.05497	3.3
68.99786	3.2
69.03420	2.1
69.07075	1.1
70.75749	0.9
70.76124	2.4
72.52219	0.7
79.05489	9.4
81.07059	3.6
83.08635	0.7
85.02917	4.2
89.03924	1.6
91.05480	7.2
93.03426	1.8
93.07027	3.2
95.04953	7.4
95.08603	2.3
97.06512	3.7
103.05496	1.4
105.03400	1.3
105.07025	3.1
107.04955	57.2
107.08567	1.0
109.06483	1.3
110.03674	2.5
111.04424	1.0
115.05473	0.8
117.07027	1.9
119.04961	2.7
119.08604	1.9
120.05724	1.3
121.02837	1.0
121.06525	1.8
121.10172	0.9
122.03671	1.3
123.04444	10.1
124.05270	0.9
125.05994	14.0
127.03975	1.1
128.06233	1.1
129.07019	1.5
130.04150	1.0
131.04901	1.5
131.08597	1.2
133.02852	4.1
133.06494	1.1
133.10112	0.9
135.04413	21.0
136.05212	0.9
137.06010	2.5
138.03113	10.3
139.03876	1.3
140.04684	1.3
141.06987	1.2
142.07851	0.9
143.08575	2.0
145.03955	1.8
145.10085	1.9
147.04428	5.7
147.08017	1.4
148.05222	1.9
149.02365	1.2
149.05986	1.9
151.03880	6.9
151.07582	2.7
152.06195	0.9
153.05463	100.0
154.05836	2.2
157.06572	1.0
157.10129	4.2
159.11710	1.6
161.02310	1.1
161.05956	1.6
162.03127	1.8
162.97171	0.9
163.03909	51.9
164.04744	1.4
165.05455	2.2
165.06978	0.8
166.06273	3.1
167.07080	2.1
168.04181	1.2
169.05016	2.2
169.06439	0.8
170.10500	0.8
171.04428	1.2
171.11729	0.9
175.03864	1.2
175.07492	1.0
176.04683	3.7
177.05493	9.5
179.03410	3.3
179.07010	2.5
180.04021	1.2
181.04961	3.6
181.06567	2.7
183.06538	10.1
184.05174	2.3
185.06012	1.1
187.07458	1.3
191.19215	0.9
193.04964	3.5
194.05748	2.9
195.06523	99.2
196.06924	1.0
197.06084	1.9
198.06731	1.6
199.07570	1.4
201.05478	1.6
207.06558	5.4
209.06018	2.4
211.07536	0.9
212.04739	1.5
213.05531	1.1
215.07004	1.6
223.04012	1.0
223.05978	1.4
226.06279	3.2
227.07031	3.2
229.04994	2.2
230.05666	0.9
236.04778	1.0
237.05557	3.0
239.03371	1.0
239.07063	1.0
240.04147	1.6
241.05022	1.4
241.08603	1.7
243.06482	1.5
245.07898	1.1
247.34612	0.9
250.06242	1.0
253.05011	1.4
254.05759	3.6
255.06474	5.0
257.04510	1.6
264.04272	0.9
265.05017	1.9
268.03662	1.5
269.08032	6.4
271.06021	2.0
272.06760	1.3
273.07574	2.0
273.18613	1.3
282.05356	1.3
283.05975	9.5
284.06976	0.8
285.03748	1.1
286.08197	1.0
287.09134	2.6
297.07492	6.8
299.05566	3.7
300.06146	2.9
301.06973	1.2
301.10495	0.9
314.07919	2.4
315.08612	14.8
317.06628	0.9
329.10205	15.7
332.08575	2.5
347.08057	1.4
347.11276	31.0
347.22314	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0765
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01880	0.5
56.02643	0.5
62.54561	0.3
63.06440	0.3
65.03931	0.4
66.01109	0.3
67.05518	0.3
68.99799	2.6
69.03419	0.5
69.95481	1.5
71.01342	0.4
81.07047	0.4
84.02128	0.8
85.02886	0.3
91.05494	3.4
93.07035	0.4
95.01288	0.3
95.04995	0.3
97.06536	0.3
99.00836	2.0
105.07039	0.3
107.04977	0.3
107.08631	0.5
109.06525	0.3
111.14827	0.3
112.01607	2.2
119.04959	0.9
121.02760	0.3
121.10120	0.3
123.04411	0.3
127.00289	2.0
127.10405	0.3
128.06212	0.4
131.04916	0.8
131.08595	0.3
132.05695	0.8
133.02837	0.8
137.02377	0.3
137.05952	0.3
139.00275	0.7
140.01016	1.2
145.06439	0.4
147.04413	5.7
149.02354	7.7
150.03099	1.1
151.03902	0.3
151.10991	0.3
152.04800	0.3
153.01846	0.8
154.99782	0.8
159.04434	1.4
160.05206	0.6
164.04703	12.9
165.01865	0.5
165.05487	0.6
166.99756	0.8
167.03195	0.3
167.10556	0.3
168.00552	8.9
169.01331	6.4
171.04460	0.8
174.02954	0.3
182.02112	0.6
183.02917	4.9
184.05165	0.6
185.00819	3.3
185.05838	0.3
186.01611	14.0
187.03850	0.5
188.04721	1.0
191.03444	0.7
202.06281	0.5
205.04973	0.9
212.04782	0.6
213.05495	0.4
215.03329	1.3
216.04103	0.9
229.05020	1.2
230.05725	1.0
231.06551	1.1
233.04489	1.4
240.04253	0.8
241.04973	0.8
243.02950	1.1
244.03688	2.7
245.04607	0.4
245.08087	0.5
257.04526	0.9
258.05264	4.4
259.06125	1.9
261.04041	0.9
268.03738	0.7
271.02429	0.8
272.03247	1.2
273.07611	0.7
284.03238	0.3
285.03955	1.0
285.07468	0.4
286.04736	6.1
287.05518	3.3
289.03552	0.5
291.08762	0.5
297.04037	0.4
299.01877	0.8
300.02676	2.0
301.07059	3.4
303.05069	0.5
313.03323	0.6
314.04227	7.8
315.04984	1.6
317.02942	2.6
329.06516	2.5
331.04434	0.4
332.01331	0.7
332.05283	11.7
333.05545	0.4
347.07632	100.0
348.08087	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	347.0762
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.01869	0.4
56.02644	0.4
56.22396	0.2
58.59046	0.2
67.05474	0.4
68.99792	2.8
69.03416	0.6
70.20620	0.8
71.01347	0.5
78.40147	0.2
79.05499	0.2
81.03371	0.3
81.07042	0.3
84.02116	0.7
91.05489	1.2
93.07026	0.3
95.01330	0.3
95.04941	0.3
95.08600	0.3
99.00808	1.8
105.03368	0.6
107.04939	0.4
107.08598	0.3
112.01591	2.7
117.03371	0.3
118.04204	0.2
119.04941	0.7
121.02876	0.4
123.04468	0.3
127.00262	2.1
128.06183	0.2
131.04924	0.8
132.04881	0.2
132.05653	1.0
133.02856	1.0
134.03659	1.2
135.04408	0.4
137.02397	0.3
137.05940	0.3
139.00250	0.7
140.00993	1.0
143.05849	0.2
145.06471	0.3
147.04407	6.6
149.02338	7.6
149.06049	0.2
150.03152	1.4
151.03899	0.6
153.01810	1.5
153.05489	0.2
154.99727	0.7
155.03352	0.3
155.04869	0.4
159.04454	1.4
160.05219	0.7
163.03879	0.5
164.04691	13.5
165.01822	0.5
165.05347	0.6
166.99803	0.7
168.00545	9.0
169.01320	6.6
169.02777	0.4
171.02989	0.3
171.04420	0.7
174.02939	0.2
179.03438	0.5
182.02081	0.4
183.02884	5.6
184.03563	0.2
184.05196	0.9
185.00807	2.9
186.01599	18.3
187.01961	0.3
187.03862	0.7
188.04694	1.4
191.03435	0.7
198.03160	0.3
199.03889	0.3
201.05508	0.4
202.06219	0.5
204.04138	0.4
205.05032	0.6
207.06482	0.2
212.04652	0.6
213.05489	0.6
215.03448	0.8
216.04030	1.1
217.04869	0.3
227.03448	0.5
228.04169	0.4
229.04974	1.8
230.05806	1.1
233.04472	1.6
233.78835	0.2
237.01825	0.3
240.04204	0.7
241.04883	0.7
243.02870	1.0
244.03691	2.7
245.04486	0.3
254.02003	0.4
256.03775	0.3
257.04361	1.1
258.05255	4.9
259.05917	1.3
261.03915	1.0
268.03690	0.6
269.04443	1.3
270.05258	0.3
271.02383	0.8
271.05997	0.6
272.03210	1.2
273.07419	0.4
283.02432	1.4
284.03128	0.7
285.03964	0.6
286.04706	9.5
287.05460	3.3
289.03448	0.7
291.08575	0.4
296.03021	0.2
297.03992	0.4
298.04532	0.3
299.01855	1.0
299.05237	0.3
300.02628	2.1
301.03503	0.6
301.07065	5.8
303.04984	0.7
313.03436	0.3
314.04190	9.5
315.04941	3.6
317.02936	2.7
329.06494	6.5
330.06955	0.3
331.04303	0.6
332.05252	12.5
333.05527	0.6
345.68283	0.3
347.07599	100.0
348.07953	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	347.0765
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03940	0.4
55.01840	0.4
67.01866	0.3
67.42977	0.3
68.99792	1.3
69.03436	2.2
70.76973	0.5
70.77264	0.3
79.05504	0.4
80.02609	0.3
81.07072	0.3
84.35763	0.3
91.05497	0.6
95.01328	0.3
95.04957	0.6
96.06406	0.3
97.02893	0.2
98.03664	0.4
105.03404	0.6
107.04946	0.6
108.02104	1.5
108.23766	0.3
109.06490	0.4
109.10143	0.3
111.04434	0.4
119.04942	0.4
119.08594	0.3
121.06518	2.0
123.04407	0.4
125.02347	2.8
125.39876	0.3
127.00312	0.4
127.03929	0.3
128.06154	0.4
129.06998	0.3
131.08626	0.3
133.02831	0.9
135.04402	1.2
136.01569	2.2
137.05978	0.4
139.00252	0.6
147.04414	1.0
149.02367	1.0
150.03134	4.7
151.03862	0.4
153.01836	6.7
153.05493	0.7
154.02629	6.4
155.03352	0.5
157.10204	0.3
164.01093	0.4
164.04677	1.1
165.05490	0.3
167.07022	0.5
168.00574	0.8
169.01131	0.3
171.02951	1.5
171.04272	0.4
179.03439	0.3
182.02113	6.1
183.02901	16.1
184.03349	0.3
184.05226	0.9
186.01601	1.7
191.03400	0.9
193.05092	0.4
199.02397	6.1
199.03900	0.4
200.03183	6.0
212.04675	1.0
213.05470	0.8
216.04214	0.4
221.04477	0.6
228.04224	0.4
229.04932	0.5
230.05742	0.8
231.06566	0.7
240.04167	0.7
241.04863	0.5
243.06555	0.8
244.03665	2.1
245.08136	0.4
247.05995	0.3
257.04501	0.5
258.05234	1.8
259.06073	3.1
259.08588	0.5
268.03802	0.4
269.04434	0.8
270.05231	0.4
271.02313	0.5
273.07541	0.4
279.48111	0.3
285.04001	0.7
286.04642	2.8
287.05518	2.8
291.08591	1.1
296.03101	0.5
298.04822	0.6
299.05475	0.6
301.07080	5.3
303.04904	0.3
314.04178	2.3
315.04895	1.3
319.08316	0.3
329.06540	2.0
331.04593	0.4
332.05307	5.2
347.07626	100.0
348.07959	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0762
Annotation	Aflatoxin B1 diol
Peak:m/z	Relative Intensity
52.20406	0.5
53.00289	1.0
55.05490	1.3
56.96503	0.7
57.03397	1.4
65.03882	0.6
65.25941	0.5
67.05460	2.4
68.99759	1.2
69.03420	3.3
69.07045	1.3
69.14338	0.5
71.04964	0.6
71.13196	1.3
75.30770	0.6
77.00260	1.1
78.04666	1.7
79.05499	2.9
81.03368	0.9
81.07053	3.5
83.08595	0.7
85.02863	2.0
89.03893	1.3
90.04697	0.6
90.47411	0.6
91.05475	4.0
93.06981	1.9
94.61879	0.4
95.04934	1.1
95.08546	2.0
97.02841	1.1
97.06503	1.1
98.97533	0.6
105.03367	0.9
105.07007	2.7
106.04140	1.8
107.04928	1.6
107.08556	2.2
109.02863	1.6
109.06466	0.7
109.10123	0.9
111.04400	1.6
115.05437	1.0
117.03352	1.1
117.06956	1.5
119.04903	0.8
119.08545	1.2
121.06465	2.2
121.10110	1.2
121.82668	0.5
123.00736	1.5
123.04408	1.2
123.07994	0.7
124.79575	0.5
125.02357	3.4
127.03923	0.6
128.06210	1.0
129.06985	1.4
130.07802	0.7
131.04932	0.8
131.08543	1.7
133.02051	0.5
133.02846	4.6
133.06480	0.7
133.10069	1.1
134.02657	0.8
134.03632	15.0
135.04422	3.0
135.11652	0.9
136.07538	0.9
137.02287	1.2
137.05991	3.9
139.00212	0.9
139.05377	0.6
141.01854	0.8
141.03325	1.0
141.06937	0.8
142.07681	0.6
143.08511	1.5
145.06541	0.9
145.10072	2.2
147.04372	1.7
147.08098	0.5
148.05190	3.0
149.02328	0.8
149.05997	3.7
149.09605	0.7
151.03889	2.3
151.07523	1.1
153.00723	0.8
153.01787	9.8
153.03267	2.2
153.05423	2.3
155.04877	0.8
157.06422	1.7
157.10132	4.2
159.04329	0.8
159.11659	1.3
161.05914	1.1
161.09476	0.6
163.03908	1.8
163.11110	0.7
164.04636	1.3
165.05501	2.5
167.04753	0.6
167.06987	1.6
169.02855	3.2
170.03592	1.5
171.02855	4.5
171.04308	1.0
171.11670	1.0
173.05974	1.0
175.03845	1.0
177.05447	3.1
179.07060	1.5
181.02815	5.4
181.04990	0.5
182.03607	0.8
183.02882	0.7
183.04367	1.3
183.06508	0.9
185.02383	0.8
185.05969	4.1
186.01570	0.9
186.03134	0.7
187.03877	1.5
187.07436	0.9
189.05408	0.5
192.04199	0.9
193.04903	1.2
197.05974	0.7
198.03116	3.0
199.03888	1.8
201.05417	1.8
202.06294	1.3
207.06497	1.8
209.02313	2.7
209.08026	0.5
210.03123	1.0
211.03865	0.8
212.04681	0.9
213.01820	1.6
213.05458	4.0
214.02486	1.8
214.06114	0.9
215.03333	2.4
215.06889	0.8
223.03885	1.2
225.05498	1.0
226.02657	2.1
227.03299	1.4
227.06931	0.6
227.17888	0.7
228.04158	0.6
229.04968	2.4
230.05743	9.1
237.01831	7.7
238.02513	2.3
239.03334	1.1
240.04247	1.0
241.04906	3.0
243.02988	1.3
243.06564	1.0
244.03578	1.2
253.04832	1.1
254.02023	2.1
255.02890	1.2
255.06509	0.9
255.17236	0.9
256.03680	1.8
257.04532	3.5
258.05255	4.6
259.05902	1.2
265.01288	1.0
268.03357	0.8
269.04422	8.5
270.05063	0.8
271.05981	9.6
272.03043	2.3
273.07388	0.8
273.18680	0.7
275.86136	0.6
283.02371	23.7
284.03168	5.1
286.04727	23.3
287.05499	12.2
288.06183	2.8
297.03952	0.8
298.04660	1.0
299.05655	0.6
301.07062	75.0
302.07404	2.2
303.08615	2.7
314.04150	2.6
314.07886	2.1
315.04980	40.5
316.05283	1.4
319.11835	0.8
329.06573	100.0
329.10159	8.9
330.07050	3.4
332.05371	1.0
347.07599	45.9
347.11285	4.2
347.22769	1.9
348.07956	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0757
Annotation	3,7-dimethylmyricetin
Peak:m/z	Relative Intensity
50.15046	0.3
55.01885	0.7
55.17143	0.3
56.02643	0.4
57.03426	1.3
68.99795	2.1
69.03416	1.0
69.07070	0.4
69.98531	1.7
70.06577	0.3
71.01349	0.7
71.04988	0.4
77.44354	0.3
78.04699	0.3
79.05511	0.7
80.97040	0.3
81.07054	0.4
84.02097	0.8
84.08141	0.5
85.02915	0.5
86.09688	0.4
91.05461	1.1
93.07025	0.5
95.01334	0.6
95.04996	0.5
95.08566	0.6
99.00834	2.1
103.05493	0.4
105.03368	0.4
107.04967	0.8
109.02888	0.3
112.01585	4.0
119.08562	0.4
119.23345	0.3
121.02853	0.7
121.06483	0.8
122.06012	0.4
123.04411	0.7
124.07561	0.4
125.02316	0.5
127.00269	2.2
128.06213	0.4
129.07022	0.7
131.04892	0.4
133.02904	1.7
133.06451	0.4
134.03610	0.3
135.04404	1.1
136.07585	5.1
137.02332	0.5
137.05986	1.2
139.00298	0.3
139.03923	0.4
140.01021	1.0
147.04396	2.0
147.08051	1.0
149.02338	9.8
149.05968	0.7
150.03065	1.3
151.03917	1.0
152.07109	1.5
153.01840	1.8
153.05473	0.6
154.99756	0.6
155.03406	0.6
157.06389	0.4
160.05190	0.5
161.05977	0.6
163.03954	0.5
163.07602	0.4
164.04692	21.2
164.06908	3.7
165.05539	1.7
165.06712	0.3
167.07085	2.4
168.00548	9.9
169.01317	3.5
171.02870	0.7
171.04384	0.7
174.03168	0.5
175.07558	2.5
178.02551	0.4
181.08597	1.4
182.02083	0.6
183.02896	9.6
184.05330	0.3
185.00783	1.8
186.01595	22.5
187.02011	0.4
187.03894	0.4
188.04659	0.4
189.05482	0.4
191.03401	1.3
194.02190	0.7
195.02832	0.4
195.08052	0.3
199.03918	1.1
206.02182	0.4
213.05487	0.5
215.03343	0.4
216.04138	2.2
217.04974	0.5
218.21846	0.3
219.02913	1.6
220.03712	1.1
221.04414	1.4
227.03395	0.9
228.04265	0.3
233.04533	0.9
235.05989	1.1
241.05032	0.5
241.08627	0.3
243.02893	1.2
244.03659	6.0
245.04359	0.9
247.02354	1.1
253.08330	0.4
255.02931	1.9
256.03632	0.4
258.05264	0.7
259.06021	3.1
261.03909	0.9
269.04535	0.7
270.05048	0.4
271.02408	0.8
271.09610	0.4
272.03131	1.5
273.03809	0.5
286.04691	1.1
286.11942	0.4
287.05484	6.1
289.03445	0.9
291.08618	0.5
299.01761	1.4
300.02655	10.1
301.03278	0.3
301.07037	1.2
301.10706	1.0
311.10342	0.4
314.04202	3.7
315.04990	7.2
317.02884	1.0
328.98172	0.3
329.06711	0.7
329.11224	1.0
332.05276	7.8
333.06000	0.3
347.07611	100.0
348.08084	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48354	1.1
56.96563	2.8
61.02915	1.4
67.04238	1.4
68.05020	8.2
69.03402	2.6
69.43772	3.3
69.44183	8.8
70.06579	2.6
72.08147	5.4
79.05480	1.6
81.03405	1.6
81.07026	1.8
82.06574	1.8
83.06077	2.0
84.08134	3.5
84.75338	1.2
85.02896	5.2
86.09699	2.2
89.03899	3.9
91.05457	2.3
93.47318	1.3
95.06094	5.1
96.06876	17.8
97.02886	1.9
97.07651	7.5
104.61451	1.3
107.04945	2.6
107.06094	2.9
108.06851	5.7
109.07641	100.0
116.98606	1.4
117.03361	11.4
122.06046	1.6
123.04475	1.7
123.07998	1.6
124.03925	1.3
124.08692	4.8
125.06969	1.6
126.10284	30.0
127.03844	1.7
134.03627	1.3
135.04376	2.9
135.05453	2.5
137.02330	2.1
137.04982	1.1
137.05957	6.0
138.06310	4.5
138.09114	1.4
139.03870	5.5
143.05685	1.7
145.02840	36.0
146.03217	1.5
147.04340	3.1
149.05948	3.1
151.03900	4.9
153.06566	13.5
162.22745	1.5
163.03926	5.8
166.08611	1.5
167.07016	1.4
170.09242	20.4
176.69650	1.4
177.05466	35.2
178.04988	5.4
179.06998	2.0
185.07930	1.9
190.04866	1.4
237.02788	1.3
274.61163	1.4
276.00140	1.3
299.20505	1.2
302.15057	11.5
328.12836	3.0
341.88934	1.3
346.13950	91.9
347.13843	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.4
55.05517	27.6
56.96566	5.8
57.03437	9.4
67.05168	5.8
67.05505	67.9
69.03429	9.0
69.07081	20.4
70.06584	3.5
71.04993	8.1
71.60836	4.3
71.61234	4.4
73.02888	3.2
73.83643	2.8
79.05492	25.7
81.03394	4.2
81.07056	36.7
83.04973	4.7
83.08617	15.7
85.02912	5.1
91.05486	18.9
91.56496	3.3
93.07040	24.7
95.04952	8.3
95.08611	28.7
97.06522	5.9
97.10170	13.7
98.97573	5.2
103.52635	3.8
105.07021	18.9
107.04985	4.0
107.08602	31.0
109.02898	3.8
109.06499	7.9
109.10153	53.0
111.04467	4.0
111.08112	4.5
116.98628	4.0
117.07002	6.6
119.04893	3.5
119.08588	17.0
121.06477	4.1
121.10146	13.3
123.11720	4.9
125.09614	9.0
129.07059	3.9
131.08562	7.2
133.10121	12.6
135.08128	8.0
135.11731	4.3
137.05978	6.2
137.09605	7.2
138.77565	3.7
139.11182	4.1
143.08577	5.2
145.10123	9.2
147.11699	8.0
149.09567	7.2
151.11203	4.1
153.05495	14.0
155.10686	14.9
159.11765	3.3
163.03857	3.3
163.11183	3.4
167.07095	3.6
173.11746	100.0
185.09613	3.6
186.01611	4.1
189.11270	9.8
198.06412	3.5
215.06487	3.0
226.06284	3.5
243.06102	3.2
258.08411	9.3
271.05704	3.6
273.18475	5.0
275.20007	25.4
282.05026	4.2
283.05539	7.0
285.07410	3.9
286.07944	15.9
313.06708	3.6
314.07401	17.3
314.10767	7.3
328.08997	10.2
346.06412	4.7
346.10001	20.7
346.13657	6.0
346.23843	6.2
346.27594	3.6
347.07416	21.6
347.11151	3.6
347.22559	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	346.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72939	1.2
55.01868	1.4
55.05502	2.2
56.05018	1.3
56.96550	3.4
62.97398	1.1
67.04224	1.4
67.05483	2.2
68.05032	9.2
69.03413	4.6
69.07055	3.8
70.06593	5.9
71.58593	1.1
71.59016	1.9
72.08130	2.6
79.05488	1.9
81.03403	3.1
81.04502	1.5
81.07040	2.3
82.05276	1.3
82.06563	2.7
82.32541	1.1
83.04959	3.2
83.06087	2.4
84.08143	3.1
85.02905	7.1
85.06530	1.6
86.09700	26.5
88.03976	1.9
89.03904	6.8
91.05443	4.5
93.07001	1.6
94.06551	3.7
95.04951	3.3
95.06081	5.6
96.06856	13.9
97.02874	4.2
97.07675	6.3
98.97540	2.6
99.05574	1.5
102.09174	1.7
102.38803	1.1
105.07003	2.5
107.04977	2.5
107.06058	3.4
108.06850	5.7
108.95752	1.4
109.07635	100.0
110.07150	2.7
111.04412	1.6
116.07053	5.3
116.98585	2.6
117.03365	13.7
119.04900	3.2
119.08613	1.3
122.02693	3.4
122.05995	4.0
122.07061	1.0
123.04398	3.2
123.08011	2.4
124.07609	2.4
124.08663	3.7
125.07095	1.4
126.10270	20.9
127.03880	2.1
129.05566	1.1
131.04875	1.6
132.10201	1.2
133.02806	1.5
134.03607	1.5
135.04402	4.2
135.05470	2.0
136.05119	1.2
137.05971	7.8
138.06322	4.1
138.09151	1.7
140.07036	5.1
145.02837	38.0
146.99657	1.6
147.04376	3.6
147.08044	2.4
147.11670	1.3
148.04756	1.8
149.04886	1.5
149.05969	5.3
151.03828	2.0
153.06580	14.9
157.12627	1.4
161.01128	1.5
161.13318	1.4
162.09203	1.8
163.03868	14.7
167.07108	1.5
170.09225	27.2
175.03889	1.6
175.39636	1.0
177.05463	47.4
181.93950	1.2
184.09636	3.8
199.18036	5.2
207.06491	1.5
207.10075	3.0
207.13742	4.3
208.09718	2.4
210.30530	1.3
213.00688	3.4
227.17509	2.1
237.00635	1.8
237.02792	1.8
301.07373	1.6
302.14929	11.3
328.08301	2.3
328.12683	2.4
342.11591	1.4
346.09634	5.4
346.13931	93.5
347.13202	8.5
357.04880	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
54.96332	3.0
55.01863	7.1
55.05507	27.2
56.96558	3.4
57.03426	6.0
57.07077	12.5
57.94542	2.8
59.04995	3.4
61.32319	2.7
65.03923	2.7
67.05505	35.1
68.99818	2.7
69.03434	11.9
69.06726	4.6
69.07071	61.1
69.42378	24.4
70.06618	2.9
71.04980	7.5
79.05501	19.2
81.03413	4.6
81.06583	5.0
81.07059	100.0
83.04991	7.8
83.08622	14.0
85.02886	3.6
85.06548	20.6
91.05468	14.9
93.07050	36.1
94.06584	3.6
95.04940	12.9
95.08608	73.0
97.02894	3.6
97.06526	11.2
97.10158	7.6
99.04437	2.7
99.08081	12.0
100.95126	2.7
103.05489	4.8
104.88634	2.4
105.07034	12.3
107.04961	3.2
107.08600	30.4
109.02857	4.7
109.06491	4.8
109.10168	34.0
111.04428	6.8
111.08105	23.6
111.11756	11.6
113.09617	3.8
115.05466	2.7
116.95908	2.4
118.62704	2.4
119.08574	12.5
121.10181	16.3
122.06046	6.4
123.04408	6.0
123.08047	6.7
123.11704	30.1
125.09632	5.3
127.03898	2.9
127.11213	3.1
131.04933	5.6
133.10138	7.1
135.08041	4.4
135.11697	14.0
137.05994	18.0
137.09605	9.0
137.13260	21.6
139.03914	4.7
139.11177	4.6
140.07065	7.2
143.05667	3.7
144.04417	3.4
145.06483	2.8
147.04382	3.3
147.08057	5.3
147.11699	7.4
149.13266	30.6
151.03918	5.8
153.06995	3.2
153.12737	10.0
154.04967	6.2
155.14316	6.2
161.13232	3.2
163.03963	3.6
163.14803	7.7
165.09128	12.4
167.07053	4.7
167.14322	4.5
167.47415	2.3
169.06456	2.8
172.04019	14.0
176.10690	3.2
181.06389	3.5
183.02715	2.4
183.08104	2.6
183.10019	3.1
191.06993	8.9
191.08603	2.4
191.17879	4.7
195.08180	3.1
204.06567	27.4
206.08202	2.9
226.05956	2.6
235.07301	3.0
239.06808	3.1
239.10588	4.3
253.08551	2.7
255.06563	4.6
260.98981	2.6
267.10144	5.5
279.26794	4.8
284.06635	4.6
285.11072	5.7
287.05502	4.5
291.26849	7.9
295.09818	5.0
299.05524	2.9
299.09091	7.5
299.12781	6.0
302.17511	7.4
309.27823	12.2
313.10693	15.9
314.11105	4.0
315.05032	9.9
317.06390	3.6
327.12375	6.4
329.68515	3.1
330.07251	3.6
345.06006	10.5
345.09698	29.8
345.13397	15.9
346.10028	4.4
346.19861	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	345.2034
Annotation	(-)-11-nor-9-carboxy-Delta9-THC
Peak:m/z	Relative Intensity
56.96525	0.3
60.21844	0.4
71.12658	0.7
72.91316	0.4
76.04825	0.4
78.67936	0.4
81.07047	0.5
93.07037	0.4
95.08608	0.4
104.99267	2.0
111.15321	0.4
113.06019	0.5
145.10031	0.4
262.98114	0.9
327.19296	0.8
334.59064	0.4
345.20374	100.0
346.20636	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
56.96543	0.9
57.07068	2.3
58.06594	0.5
61.53408	0.5
65.87746	0.5
67.05484	0.7
70.03606	2.6
70.06586	5.2
71.08623	0.9
71.55495	0.5
72.08149	0.7
79.05500	0.6
81.07045	0.9
84.96088	0.5
88.07621	5.2
91.05506	0.7
95.08543	0.5
102.09158	3.1
104.99260	2.1
105.07016	1.0
120.08059	0.9
143.08559	0.6
158.60278	0.5
172.95270	0.5
175.62352	0.5
209.11537	1.7
228.77608	0.5
238.03445	0.5
247.08656	0.9
262.98157	1.7
284.26541	0.9
284.29480	9.8
328.32156	1.0
345.20349	100.0
346.20752	4.2
346.33145	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.0
56.96560	2.5
59.04988	2.2
65.39677	2.8
67.05507	3.0
67.60962	2.3
69.03430	4.2
70.06680	10.5
77.02932	2.0
79.05486	5.1
81.07043	5.5
90.97057	2.1
91.05500	10.7
93.07048	3.1
95.04959	2.5
95.08616	4.2
98.97593	3.6
103.05478	12.9
105.07069	4.2
107.63769	2.1
109.06535	4.6
109.10170	3.1
111.04413	3.6
115.05470	3.6
117.07011	4.6
121.06480	3.2
122.03651	5.3
122.05978	3.8
123.08059	3.2
131.04909	20.9
135.08043	3.4
137.05983	59.7
137.09537	2.2
140.07065	3.4
142.67134	2.0
143.08543	4.2
145.06462	3.5
149.06042	3.0
151.03821	2.4
151.07510	18.9
153.06950	3.0
161.05997	5.3
162.06668	2.8
163.07550	40.4
165.05515	4.3
165.06947	2.8
167.07005	3.8
171.08099	2.4
172.03914	7.9
175.07535	8.5
177.09116	100.0
191.06882	2.7
192.06607	4.2
195.08328	1.9
195.10242	7.6
203.10747	3.1
204.06544	13.3
221.09560	3.0
221.11559	4.0
239.06993	6.9
239.40253	2.4
241.05116	3.6
253.08696	4.5
255.06487	3.6
256.07306	3.5
267.09866	4.2
284.06781	14.5
299.09088	12.7
299.12723	7.8
311.05493	4.0
312.06302	11.8
313.10593	11.3
327.08624	25.6
327.12308	5.7
330.07266	6.0
345.09793	30.3
345.13531	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	345.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44323	1.1
53.03915	1.2
70.06583	4.8
70.83542	2.5
70.83875	2.7
84.08146	1.3
85.02895	1.9
86.09716	1.6
97.02890	1.9
114.12640	1.3
116.07097	2.3
118.00553	1.3
121.03997	2.4
137.05984	2.8
137.44360	1.3
143.06799	1.2
148.03926	11.0
152.06253	3.1
153.06989	6.8
163.03922	1.6
165.06982	13.3
166.05017	26.1
166.07782	2.9
167.07112	2.2
167.08559	43.7
169.06563	1.7
171.08018	6.7
177.07005	23.2
178.07788	20.4
179.08522	10.3
180.09259	1.4
181.06487	4.4
181.10083	3.0
183.08055	4.5
184.06061	27.2
184.08636	1.6
185.09708	1.7
189.06923	2.0
190.07819	3.0
191.08562	44.7
193.10159	13.5
194.07304	5.8
194.09648	4.2
195.08055	39.9
197.09602	5.7
199.07553	5.3
201.07045	2.3
202.07777	9.5
203.08566	8.7
205.06546	4.6
206.07289	2.1
207.08089	7.2
208.08865	10.4
208.10941	1.8
209.09602	12.8
212.08649	2.0
212.10692	18.3
217.08807	1.6
218.07297	3.7
218.09764	3.4
219.08054	57.5
220.08644	4.8
221.09651	25.1
222.09215	3.1
223.07556	29.4
224.10768	2.0
225.09177	9.4
227.07004	10.3
229.07585	3.4
236.10709	64.0
237.09105	8.2
237.11189	2.3
238.12263	44.2
239.12563	1.4
240.10216	60.9
241.08467	7.3
241.10696	1.8
247.07610	7.3
248.07951	1.4
249.09254	2.1
251.07037	9.0
253.13358	39.6
254.11740	31.2
254.14137	2.5
264.10199	6.9
265.08612	41.6
265.11462	2.1
266.08954	1.6
267.10175	6.1
269.08072	14.8
282.11243	100.0
283.11728	3.1
284.12775	5.1
286.10867	8.7
287.10941	1.4
293.08121	1.8
299.13910	81.1
300.12225	35.0
301.12686	2.0
311.09052	17.7
328.11801	87.6
329.12112	2.7
345.14478	34.1
345.22296	3.5
346.12607	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	345.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79934	0.4
55.05497	0.6
59.87638	0.3
60.38107	0.3
65.03941	0.9
65.72566	0.3
67.05502	2.1
68.05026	1.1
69.03426	0.5
69.07070	4.4
69.94972	2.0
79.05470	0.6
80.05025	1.0
81.07071	0.7
85.02914	0.4
89.03925	1.7
91.05473	0.8
93.05757	0.4
93.07052	0.5
94.06571	12.7
95.04985	2.1
97.06529	0.6
98.06057	0.4
103.05450	0.5
107.08605	0.4
108.08120	1.5
110.06037	2.4
112.07629	1.7
116.04981	6.8
116.98570	0.5
118.06498	0.6
122.06033	22.6
123.04428	1.4
124.07613	0.6
124.33227	0.4
134.05988	0.8
137.05946	1.1
140.07065	31.6
141.07803	0.7
144.04443	16.2
146.06000	9.2
147.06790	0.7
148.07574	0.7
151.03946	0.4
154.08577	0.5
162.05513	7.3
172.03937	59.2
173.04333	1.2
174.05534	3.5
178.08612	1.2
189.04111	0.4
190.05009	2.2
192.06537	0.7
204.06563	100.0
205.06921	2.1
206.08125	15.5
206.10092	0.5
207.08372	0.7
240.10326	0.5
253.08557	0.4
285.11407	0.6
299.09134	0.3
300.12234	1.6
313.11722	1.8
327.13058	1.3
331.12827	2.5
345.06778	0.4
345.14481	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05508	0.7
57.03434	0.6
57.63735	0.4
61.14951	0.4
65.03957	0.8
67.05507	2.5
68.05027	0.9
69.03426	1.1
69.07076	4.5
71.04971	0.4
71.61253	0.8
72.08163	0.6
79.05497	1.2
80.05017	0.8
81.07052	1.2
83.04961	0.5
84.08144	0.8
85.02885	0.9
86.09689	0.9
89.03922	1.6
91.05479	1.6
93.07024	0.7
94.06562	11.3
95.04960	2.6
95.08621	0.7
97.06519	0.7
98.06055	0.4
98.97569	0.6
99.04453	0.5
103.05470	0.7
105.07034	0.7
107.04927	0.5
107.08554	0.6
108.08117	2.1
109.06506	0.8
109.10128	0.7
110.06050	1.8
111.04478	0.5
112.07593	1.4
116.04974	6.8
118.06516	0.5
121.06505	0.7
121.10146	0.6
122.06026	23.0
123.04411	1.5
131.04924	0.8
133.02779	0.5
134.06027	1.0
137.05972	1.9
140.07062	32.8
141.07768	0.8
144.04451	13.7
145.06496	0.5
146.05998	7.8
147.04449	0.8
147.06723	0.4
147.08069	0.5
154.08737	0.5
161.06004	0.6
162.05486	6.9
165.05511	0.4
165.06914	0.5
165.09085	0.5
167.03389	0.6
167.06987	0.9
172.03929	57.6
173.04237	0.9
174.05519	3.5
175.07545	0.4
177.05429	0.7
178.08698	0.7
179.08420	0.4
181.04999	1.0
181.06537	0.9
190.04953	1.9
191.06967	0.8
192.06439	0.7
195.08052	0.5
201.05396	0.7
203.03397	0.5
204.06552	100.0
205.04962	1.1
205.06964	2.7
206.08131	15.8
207.08241	0.7
211.07430	0.5
211.97057	0.4
223.02393	0.9
223.05908	0.6
224.08243	0.7
229.04895	1.8
230.05785	0.6
232.03461	0.4
237.03783	0.5
238.06210	0.5
239.06961	0.7
243.06454	0.7
246.05135	0.6
252.07825	0.6
253.08621	0.6
255.06673	0.5
257.04449	1.8
261.07401	0.9
267.10031	0.7
269.07986	0.5
271.06024	0.6
285.03976	0.5
285.11237	0.8
286.08328	1.0
289.06955	0.9
299.05386	1.8
299.09070	5.1
299.12674	2.2
300.12326	1.8
313.03522	0.9
313.07352	0.7
313.10858	3.1
317.06573	5.5
323.25262	0.5
327.12469	2.7
331.12796	2.7
345.06033	13.2
345.09467	1.0
345.13538	6.1
346.06403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71989	0.4
53.03946	0.4
55.05504	0.4
57.03441	0.5
60.60799	0.5
67.05506	2.4
68.05019	0.8
69.03423	0.9
69.07070	3.9
69.28799	2.0
69.29230	2.5
70.06593	0.7
79.05486	0.8
80.05029	0.7
81.03419	0.7
81.07039	0.6
81.60314	0.4
83.04973	0.4
83.53916	0.4
84.04528	0.5
84.08150	0.9
85.73322	0.4
86.09703	1.8
89.03923	1.6
91.05458	0.9
93.05784	0.9
94.06564	13.1
95.04962	2.5
95.08595	0.5
96.04474	0.6
97.06544	0.6
103.05464	0.5
105.03374	0.4
105.06959	0.5
108.08076	1.5
109.06545	0.5
110.06023	2.3
112.07594	1.8
116.04978	7.3
118.06542	0.8
118.49854	0.5
119.08544	0.6
120.08107	0.4
121.06477	0.5
121.07611	0.4
121.10162	0.4
122.06026	21.0
123.04409	1.6
128.00772	0.6
131.04874	0.4
132.08067	0.4
134.06018	1.1
136.07570	0.5
137.05974	3.8
140.07057	31.8
141.07854	1.1
144.04443	15.6
146.06003	6.8
147.06779	0.6
148.07614	0.6
151.03941	0.5
154.08556	0.6
155.95253	0.4
161.05901	0.5
162.05496	7.6
170.38971	0.5
172.03929	61.6
173.04329	1.6
174.05515	3.1
178.08687	0.6
190.05046	2.2
191.07147	0.6
192.06734	0.4
204.06552	100.0
205.06883	2.7
206.08121	14.4
248.07719	0.8
268.09662	0.5
300.12213	1.6
313.11774	2.2
317.06519	0.9
327.12988	1.6
331.12961	2.5
345.05984	1.7
345.14453	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	345.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.5
55.05485	0.4
56.05026	0.4
56.96559	0.6
60.15340	0.3
65.03948	0.9
67.05503	2.7
68.05019	0.7
69.03419	0.9
69.07067	4.9
70.06580	1.0
71.19506	0.8
72.08169	0.5
79.05491	0.8
80.05036	1.0
81.07050	0.7
84.08145	1.6
85.02882	0.5
86.09692	0.6
89.03902	2.0
91.05489	1.1
92.37557	0.4
93.05781	0.9
94.06570	13.9
94.76585	0.4
95.04971	2.0
95.08591	0.6
96.04482	0.6
97.02866	0.4
97.06541	0.5
97.16931	0.4
98.97585	0.4
105.07020	0.9
108.08116	2.0
109.06493	0.4
110.06028	2.2
112.07610	2.0
116.04984	7.6
118.06506	0.5
122.06036	23.8
123.04442	1.3
123.06338	0.5
124.07600	0.4
127.03980	0.4
130.06607	0.6
132.04395	0.5
134.05997	0.6
137.05983	2.7
140.07069	32.1
141.07845	0.8
144.04449	17.1
145.05255	0.4
146.06012	9.0
147.06755	0.6
148.07642	0.7
151.03993	0.6
154.08647	0.5
162.05513	8.1
167.07115	0.5
168.98900	0.4
172.03940	65.1
173.04324	1.5
174.05501	3.4
178.08675	0.8
181.12212	0.5
186.05058	0.4
190.04942	2.4
204.06569	100.0
205.06970	2.9
206.08133	14.7
221.06068	0.5
235.39183	0.4
300.12332	1.5
313.11731	1.7
327.05261	0.5
327.13156	1.7
328.11673	0.5
331.12875	2.5
345.06754	2.2
345.14465	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	345.1335
Annotation	Carpinontriol B
Peak:m/z	Relative Intensity
51.12067	1.2
53.03941	1.5
55.01865	2.9
56.96557	1.4
65.03925	4.0
67.05508	3.4
69.03424	4.1
69.07094	2.2
70.42002	2.4
70.42393	2.5
72.08144	1.9
79.05490	3.1
79.84346	1.2
81.03429	3.3
81.07062	3.3
82.04227	1.5
83.04946	2.1
85.02905	3.1
86.09678	1.6
91.05479	5.0
93.07060	3.0
95.04964	2.6
95.08617	2.6
96.40862	1.4
97.02918	1.8
97.06524	1.6
97.28042	1.2
98.97582	1.9
105.03395	1.5
105.07026	2.6
107.04952	11.3
107.08560	1.7
108.02065	1.6
108.18027	1.4
110.03741	1.3
111.04444	4.8
114.14408	1.6
115.05448	3.4
117.07008	3.0
119.04935	4.1
119.08617	2.0
121.02834	10.5
121.06502	3.3
122.06001	1.7
123.04434	4.3
129.07027	2.1
131.04904	4.0
133.02843	1.9
135.04381	1.7
137.05988	10.6
139.03915	1.8
140.07060	3.6
141.06981	2.2
145.06468	9.5
147.04416	3.9
147.08046	3.0
148.05176	2.3
149.02310	1.5
149.05922	1.7
151.03889	2.9
152.06256	2.7
153.05461	4.0
153.06975	6.3
154.07759	2.1
155.08597	3.3
157.06485	2.1
161.05986	4.4
163.03844	1.6
163.07545	2.1
165.06998	14.6
167.07047	8.4
167.08427	2.8
168.05666	2.9
169.06523	4.6
170.07262	2.5
171.04297	1.6
171.06506	2.1
172.03935	5.3
173.05989	3.0
174.06772	2.3
177.09100	1.5
178.07735	7.1
179.08556	8.0
181.04961	18.3
181.06505	10.2
182.07298	5.5
183.06616	1.8
183.08049	9.1
185.05959	3.2
191.07034	3.9
191.08621	2.0
193.10092	3.6
194.07283	2.3
195.08092	6.6
196.05235	1.8
196.08885	3.9
197.06047	9.6
198.06752	5.6
199.07619	2.9
202.07761	4.2
203.06905	1.5
203.08574	2.5
204.06503	7.7
205.06560	3.1
206.07288	3.3
207.08049	13.1
209.06001	5.2
209.09802	2.5
210.06744	11.1
211.07549	17.1
212.08092	1.6
213.05469	6.0
213.09076	2.8
221.06000	3.9
221.09639	6.3
223.07539	13.8
224.04678	2.1
224.08299	11.2
225.05486	5.3
225.09106	3.9
226.06230	14.9
227.06999	4.6
228.04128	2.0
234.06654	3.2
235.07529	7.0
236.08417	1.7
237.05479	2.5
237.09070	2.3
238.06227	7.6
239.07045	48.9
239.10638	15.7
240.07843	3.8
241.04907	10.2
241.08585	5.9
242.05588	3.4
243.06476	7.7
249.09067	3.7
251.07086	8.1
252.07855	5.9
253.04974	3.1
253.08620	6.0
254.05750	5.2
255.06540	18.4
256.07159	7.6
257.07971	2.1
265.08615	2.0
267.06741	9.8
267.09921	11.0
268.07132	1.6
268.11075	1.8
269.04706	3.2
269.08124	11.0
270.05151	4.1
270.08713	3.3
271.05951	5.8
271.09634	2.2
283.06027	8.6
283.09357	2.4
284.06821	19.7
284.10382	7.9
285.07645	3.8
285.11221	18.7
286.08408	20.0
287.05484	3.3
295.09781	9.7
299.09137	100.0
299.12781	52.3
300.09500	5.7
300.12939	2.9
309.11249	2.3
312.06305	10.8
312.09769	2.6
313.07043	9.3
313.10620	62.9
314.11234	4.6
317.13776	10.7
327.12238	57.8
328.12564	2.1
330.07324	9.6
345.09622	42.2
345.13379	62.2
346.10074	3.9
346.13678	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1332
Annotation	2,5,7-Trihydroxy-6,8-dimethyl-3-(4'-methoxybenzyl)chroman-4-one
Peak:m/z	Relative Intensity
53.03939	2.0
55.01855	3.5
55.05485	7.7
56.96536	5.4
57.03432	2.7
57.07058	3.5
60.05618	2.2
65.03953	9.3
67.05503	15.9
68.59497	1.6
68.99778	2.4
69.03425	11.9
69.07062	16.1
70.06551	2.2
71.04964	2.2
71.60947	2.8
71.61357	1.6
72.08129	7.2
79.05495	10.9
80.94499	1.9
81.03384	6.0
81.07056	30.6
82.07352	1.9
83.04951	4.4
83.08607	5.4
85.02888	3.2
85.06536	15.7
86.09681	2.1
87.04439	1.8
89.03896	2.4
90.25916	1.7
91.05483	17.3
93.07038	14.5
94.06520	7.5
94.37069	1.8
95.04937	8.2
95.08601	20.5
97.02879	6.6
97.06512	4.6
97.10130	2.7
98.97574	7.3
99.08064	2.4
103.05449	5.5
103.23292	2.1
105.06994	7.8
107.04951	9.0
107.08591	12.2
109.02858	3.6
109.06509	3.8
109.10147	15.1
110.03657	2.0
110.06020	2.3
111.04420	9.6
111.08049	4.1
115.05427	2.7
116.04972	3.7
116.98622	4.3
117.06995	4.4
119.04926	4.3
119.08583	9.7
121.02872	8.6
121.06487	7.4
121.10097	6.3
122.03589	2.3
122.06010	16.7
123.04410	5.9
123.08059	2.6
123.11678	7.8
123.92113	1.9
124.07555	2.4
125.09515	2.9
127.00168	1.9
127.03928	3.5
128.06198	2.9
129.06992	2.8
131.00131	2.1
131.04887	5.5
131.08534	4.0
133.06493	1.9
133.10149	2.5
134.03667	2.6
134.99646	3.5
135.08043	2.9
135.11670	4.1
137.05959	17.4
137.09573	4.4
137.13234	5.2
139.03923	3.5
140.07069	23.7
141.06914	3.6
143.08568	3.2
144.04456	9.2
144.05453	2.3
145.02922	2.4
145.04875	1.7
145.06491	9.2
146.05968	7.4
146.07108	2.7
147.04376	7.9
147.07996	4.2
148.05202	2.4
149.05962	3.3
149.13203	4.6
151.03883	3.9
151.07518	3.4
151.11119	2.6
152.06194	4.5
153.05473	2.5
153.06978	7.3
153.12721	2.1
155.08508	6.6
155.10547	2.1
157.06448	3.4
159.08018	3.4
159.11713	2.7
161.05954	4.8
162.05475	4.9
163.03922	2.2
163.07532	3.4
163.14789	2.8
165.05493	3.9
165.06953	13.8
165.09085	5.5
167.03391	4.3
167.06993	10.1
167.08492	5.0
168.05582	4.0
169.06447	5.5
170.07184	2.7
171.06601	2.9
171.07985	2.5
172.03937	48.8
173.05943	4.3
174.05397	2.3
175.03868	6.4
175.07516	3.3
177.00688	3.5
177.05428	4.9
177.06885	1.8
178.07744	8.1
179.03368	2.7
179.08493	6.0
181.04900	15.0
181.06453	11.1
181.09979	2.1
182.07239	6.2
183.02901	3.0
183.08023	10.1
184.05067	2.0
185.05981	2.2
185.09621	2.5
189.09070	2.2
190.04825	2.3
191.03432	3.3
191.06996	6.8
191.08554	2.3
193.06488	3.3
193.08522	1.9
193.10112	4.4
194.07201	4.4
194.74893	2.6
195.08072	10.1
196.05174	2.7
196.08759	6.5
197.05917	10.0
197.09636	2.1
198.06720	11.7
199.07494	3.3
204.06557	74.8
205.06667	3.5
206.08272	11.2
207.06416	6.6
207.08076	9.8
209.06033	4.1
210.06723	9.8
211.07553	20.9
211.11211	2.8
213.05475	6.2
213.09164	2.4
215.07208	2.6
219.08084	2.3
221.06006	3.6
221.09546	5.4
223.07564	11.6
224.04880	1.9
224.08308	11.1
225.05504	4.0
225.09079	3.7
226.06224	20.3
227.06947	5.5
228.07709	2.1
234.06714	4.5
235.07466	6.8
236.08305	2.1
237.05411	3.6
238.06216	5.0
238.09818	3.0
239.04524	2.4
239.07022	47.9
239.10622	20.1
240.07748	6.6
241.04858	6.7
241.08530	10.1
242.05537	1.9
243.06596	10.9
249.09023	4.5
251.06895	5.5
252.07834	8.6
253.08572	9.1
254.05713	4.0
255.06494	19.0
256.07205	4.6
257.08090	2.3
267.06439	7.7
267.10083	19.5
268.07172	6.2
269.04117	2.4
269.04968	2.4
269.08002	16.2
269.16147	2.9
270.08917	3.6
271.06009	2.2
271.09610	6.1
279.26694	2.6
281.08002	4.0
281.11090	1.9
283.05917	7.1
283.09583	2.7
284.06787	8.2
284.10449	7.4
285.07822	3.0
285.11139	18.8
286.08344	18.3
295.09689	10.4
296.10339	3.8
299.09058	100.0
299.12686	46.2
300.09323	4.4
300.12619	4.8
312.06183	3.0
312.09616	2.6
313.07349	3.2
313.10657	62.7
314.11194	4.6
317.06403	3.0
317.13812	7.9
327.08527	10.1
327.12210	58.4
328.12323	2.8
345.06012	9.9
345.09677	10.4
345.13309	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	345.1335
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03952	1.8
55.01870	4.0
56.96552	1.7
57.03416	1.8
65.03925	4.4
67.05486	5.5
69.03419	2.6
69.07064	3.8
69.81710	4.9
69.82118	3.8
70.06566	2.2
70.81527	1.4
71.04998	1.7
79.05474	5.0
81.07050	4.5
83.04964	2.6
85.02885	5.1
86.09698	2.7
91.05483	8.5
93.07026	3.3
94.06552	3.5
95.04945	5.2
95.08588	3.0
97.02895	2.5
97.06536	3.1
98.20792	1.7
98.97559	2.1
99.04438	2.6
103.05433	1.8
105.07014	3.1
107.04985	9.0
107.08566	2.4
109.02850	2.2
109.10161	3.8
111.04395	4.0
115.05420	2.1
116.05013	1.4
116.98637	2.3
117.07045	3.3
119.04929	4.4
119.08566	3.6
121.02832	7.7
121.06509	2.9
121.10166	2.0
122.06011	7.0
123.04417	3.5
125.05981	1.6
128.06256	2.0
129.06995	2.7
131.04924	3.7
133.02861	1.9
133.10226	1.5
135.11621	1.8
136.06224	1.7
137.05954	6.4
139.03900	2.1
140.03148	1.8
140.07077	11.4
141.07016	2.5
144.04410	3.2
145.06471	10.0
147.04430	3.2
147.08046	2.4
149.02292	2.2
152.06169	2.2
153.05443	2.8
153.06999	4.2
155.08546	3.0
157.06451	3.0
161.06026	3.6
161.13257	2.0
163.07474	1.5
165.05682	2.6
165.06972	12.7
165.09082	3.0
166.07648	1.8
167.03560	2.3
167.07010	5.9
167.08446	3.1
168.05769	3.6
169.06516	3.0
170.07138	1.6
172.03952	12.4
173.05901	3.6
174.06779	2.4
175.04065	1.6
177.05461	1.8
178.07742	8.9
179.08545	5.0
181.04927	16.9
181.06493	9.6
182.07262	5.0
183.08031	7.9
185.05965	2.9
187.07585	1.7
191.06990	4.2
191.08574	3.0
193.06473	3.2
193.10117	3.5
194.07199	3.0
195.02869	6.0
195.08078	8.5
196.05205	3.0
196.08891	4.3
197.05960	7.3
198.06735	8.6
199.07565	3.2
201.05357	1.7
202.07657	1.5
204.06543	23.0
205.06575	3.1
206.07341	3.2
207.08057	11.2
209.06003	1.7
209.09633	1.7
210.06805	11.9
211.07547	17.4
213.05470	3.1
213.09096	2.5
221.05959	3.7
221.09621	5.1
223.07495	8.5
224.08302	8.6
225.05557	2.4
225.09050	4.2
225.14886	2.1
226.06285	14.2
227.06927	3.8
234.06744	3.5
234.68600	1.7
235.07555	5.2
237.05499	3.3
237.08965	2.9
238.06339	7.3
238.09784	2.2
239.07008	42.8
239.10587	16.2
240.07588	5.4
241.04962	4.6
241.08571	6.8
243.06563	7.0
249.08983	2.7
251.06947	8.2
252.07829	6.1
253.04945	1.9
253.08516	5.2
254.05739	4.4
255.06505	15.1
256.07352	3.7
258.08884	2.3
266.05652	1.8
266.09250	1.5
267.06879	9.4
267.10071	16.2
268.07330	4.4
268.11029	1.9
268.77878	1.9
269.05066	2.1
269.08096	15.8
270.08817	4.7
271.05930	5.3
271.09616	2.8
277.08530	2.5
281.08115	2.6
283.05957	6.7
283.09406	2.9
284.06741	7.8
284.10461	5.4
285.11160	17.0
286.08319	19.8
295.09741	9.1
296.10107	2.0
299.09103	100.0
299.12741	49.0
300.09534	5.0
300.12839	1.8
312.06448	3.1
312.09842	2.6
313.10684	63.6
314.11127	3.9
317.13794	9.8
327.08420	3.3
327.12277	55.3
328.12494	4.3
345.09625	11.5
345.13324	66.2
346.13693	2.2
346.17566	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	345.1156
Annotation	Clotrimazole
Peak:m/z	Relative Intensity
53.03933	1.5
54.18258	0.9
55.01878	1.1
55.05497	2.9
56.96562	2.3
61.79342	0.8
65.92277	0.8
67.05494	2.6
69.03421	3.1
69.07059	3.0
70.06576	3.7
71.04967	1.4
71.59734	1.2
72.08164	10.7
73.02888	1.8
79.05470	2.2
81.03409	2.6
81.07038	3.0
83.04986	1.6
84.08134	3.6
85.02901	3.3
86.09718	12.3
87.01834	0.9
88.03979	2.7
91.01583	0.8
91.03965	1.0
91.05495	5.9
93.07031	1.2
94.04155	1.1
95.04958	3.0
95.08582	1.1
97.02892	2.1
97.10188	1.0
98.97583	1.7
104.33958	0.9
106.99863	0.8
107.04932	3.2
107.08586	1.0
109.10159	1.5
112.11222	4.1
116.01698	0.9
116.07065	1.6
116.98624	2.3
119.01904	3.7
119.04917	1.5
120.08063	1.4
121.06587	1.2
122.03685	1.1
123.04414	2.7
123.08089	1.3
127.03934	1.8
127.07568	1.1
129.10216	2.5
130.06476	1.1
131.04941	1.4
134.99615	1.4
135.04346	1.2
136.07568	1.0
137.05009	1.7
137.05981	20.8
138.09096	2.1
139.12285	1.9
140.10687	2.5
141.10167	1.6
142.03230	1.9
144.02768	1.2
147.04387	3.3
149.05954	2.1
151.03880	2.6
153.06944	1.0
155.07086	1.4
161.05963	1.4
163.03900	2.2
165.05487	1.9
165.09085	1.3
166.08569	1.1
167.07056	4.4
170.85477	0.9
172.03941	2.0
175.07521	1.3
177.10292	1.4
180.65111	1.0
182.07060	1.0
183.11353	6.7
185.06416	1.4
186.12369	2.9
189.12312	1.3
191.07040	1.8
204.06548	2.6
211.07538	1.4
214.11896	2.1
225.09219	1.1
253.08473	1.6
259.11404	3.1
265.08566	1.2
271.04147	2.0
271.09747	0.9
277.11380	1.7
285.11386	1.9
299.09332	1.7
301.12607	19.9
313.10892	2.2
327.12122	1.7
345.11536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18444	0.4
55.01862	0.5
55.05499	1.6
56.96569	0.6
57.07077	0.9
65.03942	1.1
67.05503	2.5
68.99796	0.7
69.03400	1.0
69.07063	3.6
69.43710	3.7
77.03943	0.5
79.05476	1.8
79.20945	0.5
81.07059	6.6
83.04972	0.7
83.08608	1.3
84.43111	0.4
85.02905	0.8
85.06535	2.0
91.05476	4.7
93.07040	2.8
95.04954	0.8
95.08603	4.6
96.02100	0.5
97.02890	1.0
97.06496	1.0
98.97536	0.8
99.08095	0.5
103.58162	0.5
105.07016	1.4
107.04964	0.8
107.08580	2.6
109.02884	0.8
109.06536	0.6
109.10143	3.0
111.04457	2.9
111.08073	1.3
111.11710	0.7
118.20519	0.4
118.30043	0.4
119.04926	0.9
119.08544	1.6
120.08100	0.5
121.02877	0.5
121.06478	0.7
121.10130	1.3
122.03693	0.4
122.06010	0.8
123.00787	1.6
123.04424	0.8
123.11729	2.4
124.05086	0.5
125.02348	0.5
131.04933	0.8
133.10107	0.9
135.04388	0.4
135.11678	0.8
137.05975	4.9
137.09616	0.6
137.13258	1.7
138.03085	0.6
139.03873	1.6
139.68913	0.4
145.06503	0.7
147.04411	0.9
147.08069	1.4
149.01141	0.9
149.02336	17.1
149.13254	1.6
151.03951	1.0
153.05434	1.0
153.06969	0.7
153.12778	0.8
155.14264	0.5
159.08104	0.7
160.08862	0.4
161.74780	0.5
163.03911	0.6
164.04688	36.7
165.05159	0.5
165.06996	0.5
165.09100	0.7
167.03406	25.0
167.14290	0.5
168.05632	0.5
169.01297	0.6
172.03874	1.1
175.03952	1.0
177.05482	0.9
177.09151	0.5
178.07681	0.6
179.08549	0.7
181.06395	0.8
184.03691	4.5
185.05969	0.7
188.08330	0.7
189.08965	0.6
191.07027	1.1
193.05022	0.6
195.08083	0.8
197.05997	1.0
198.06731	1.5
199.02332	0.7
200.04614	0.5
201.05539	0.7
204.06522	2.1
207.06517	1.1
210.06744	0.5
211.07561	1.2
212.08295	0.5
213.05467	1.3
213.08917	0.5
214.06120	0.6
217.04915	2.6
219.06502	2.3
223.07675	0.5
224.08293	1.1
225.09035	0.6
226.06174	1.5
227.07082	0.9
228.07838	0.6
229.04951	1.1
231.06631	0.8
237.05286	0.5
238.09859	1.0
239.06995	1.9
239.10706	1.0
240.07683	0.8
241.04996	1.0
241.08670	1.3
242.05745	2.4
243.06538	1.6
245.04420	7.5
252.07964	0.7
253.04889	0.7
253.08528	1.1
254.05855	4.1
255.06503	1.0
256.07300	1.5
257.08124	1.3
258.05154	1.1
259.05988	1.3
267.06570	0.5
267.10107	2.7
268.07330	1.8
269.04486	1.7
269.08151	2.6
270.05344	1.1
271.06091	0.9
281.08075	0.6
283.02469	0.6
283.06021	0.8
284.06949	0.8
284.10266	0.5
285.04608	0.9
285.07596	3.7
285.10858	0.9
287.05426	4.6
289.10730	0.5
295.09650	1.1
296.10349	1.3
297.04037	0.6
298.04727	3.3
299.05695	1.0
299.09177	8.1
299.12842	1.5
301.06757	0.7
309.27899	0.8
313.03534	1.0
313.07047	10.3
313.10693	3.9
315.04987	10.9
317.06476	1.0
327.12289	5.5
329.06519	1.8
330.07339	35.0
331.07678	1.3
345.09686	100.0
345.13068	4.8
346.10083	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0971
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01870	0.6
55.05511	2.5
57.07073	0.6
61.37058	0.5
67.05500	3.7
68.67039	0.4
69.03423	1.1
69.07072	5.8
70.25479	2.1
70.85497	0.4
71.08644	0.6
73.06559	0.5
75.40858	0.4
79.05489	1.7
81.07057	9.6
83.04970	0.5
83.08611	1.4
85.02930	0.9
85.06557	1.6
91.05493	1.6
93.07036	3.4
95.04975	1.0
95.08604	6.9
97.02892	1.1
97.06530	1.2
98.97581	0.4
99.04419	0.6
103.05469	1.0
105.06999	1.5
107.04948	2.3
107.08567	3.1
109.02911	0.6
109.06538	0.8
109.10130	3.8
110.91486	0.5
111.04448	1.0
111.08069	2.0
111.11684	0.9
115.05436	0.7
117.06988	0.8
119.08575	1.3
121.06478	0.7
121.10135	1.3
122.06052	1.0
123.00809	1.0
123.04412	1.4
123.08073	0.4
123.11713	2.4
129.06987	0.6
131.04927	1.1
131.08597	0.8
133.02888	0.7
133.10126	0.8
133.14816	0.5
134.03719	1.0
135.08081	0.6
135.11681	1.4
137.02292	0.7
137.05975	3.4
137.13286	2.4
139.03877	0.8
139.77983	0.4
140.04588	0.6
140.07063	2.0
141.06998	0.7
144.04460	0.5
145.06485	1.1
145.10104	0.9
147.04417	1.0
148.05127	0.9
149.02357	2.2
149.13271	2.7
151.03896	0.8
152.06172	0.5
153.12683	0.8
157.06505	0.8
158.07352	0.5
159.08072	0.6
159.11595	0.6
161.05931	0.8
161.09659	0.4
163.03928	0.9
163.14781	0.5
164.04747	3.0
165.05597	0.9
165.07002	1.1
167.03432	2.8
167.04765	0.6
167.07083	0.7
167.14375	0.9
168.04376	0.5
168.05714	0.8
169.06442	1.2
171.04459	2.2
172.03932	2.5
172.05249	0.7
175.03931	2.5
179.08652	0.5
180.09648	0.5
181.06479	1.2
183.06526	0.7
184.03766	2.8
185.06032	2.4
186.06737	1.1
187.03951	1.3
191.07048	1.0
196.05261	0.6
197.05995	4.8
198.06731	1.7
199.03903	13.4
200.04666	0.7
201.05473	1.4
201.09164	0.5
203.07088	0.9
204.06535	4.8
210.03212	0.6
211.03922	1.7
211.07576	0.8
212.04692	1.1
213.05482	5.8
214.06264	4.2
215.03438	1.1
217.04950	1.1
223.07503	1.0
224.04747	0.6
225.05424	2.5
225.09042	0.8
226.06183	2.5
227.03423	4.6
227.07042	4.0
228.07841	0.8
229.04929	1.4
229.08676	0.7
231.06528	5.6
239.03329	4.4
239.07039	1.6
241.04955	7.9
241.08513	2.7
242.05753	6.1
243.06509	2.1
244.03635	1.3
245.04427	0.8
252.04359	0.7
253.04887	3.0
254.05742	3.3
255.02875	10.7
255.06436	4.3
256.07297	6.7
257.04373	0.7
257.05099	0.8
257.08081	10.9
259.06058	2.2
267.02835	3.1
267.06464	0.6
267.10324	0.5
267.92554	0.5
269.04462	7.1
269.08051	2.0
270.05209	13.7
271.05991	3.4
272.03201	0.6
281.04535	1.4
282.05261	6.6
283.02390	4.8
283.05948	1.6
284.06812	8.9
285.07571	30.5
287.05524	9.3
289.10764	1.5
295.06293	0.6
295.09674	0.9
297.03949	3.2
298.04617	2.9
299.05533	2.4
299.08975	0.8
300.02771	1.5
301.07034	0.6
302.07806	1.4
309.27808	1.0
312.06250	5.4
313.07095	35.1
313.10651	3.3
314.07629	2.1
315.05048	8.3
315.08505	0.6
316.05707	1.3
317.06702	0.7
317.10172	1.2
327.08655	0.7
327.12436	0.9
327.19696	0.8
329.06525	1.5
330.03311	0.6
330.07336	21.6
345.09695	100.0
345.13187	4.5
346.09943	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	3',8-Dihydroxy-4',6,7-trimethoxyisoflavone
Peak:m/z	Relative Intensity
51.52462	0.5
55.01883	0.5
55.05500	1.8
56.96557	1.0
57.03411	0.6
57.07072	1.1
57.16477	0.5
65.03914	0.6
67.05505	3.9
68.99793	1.2
69.03423	1.7
69.06723	0.7
69.07068	5.9
69.74287	3.5
71.04987	1.0
79.05490	2.7
81.03393	0.7
81.07059	10.1
83.08600	1.5
85.02904	0.9
85.06533	2.4
91.05466	2.4
93.07053	3.6
94.06567	0.7
95.04958	1.8
95.08605	7.1
97.02890	1.5
97.06532	0.6
98.20783	0.7
98.97585	1.2
99.08102	0.9
103.05464	0.8
105.07013	1.9
107.04966	3.1
107.08586	2.2
109.02895	0.6
109.06489	0.7
109.10159	3.0
111.04446	0.9
111.08064	2.0
111.11713	0.9
116.98654	0.5
117.07014	0.8
118.04183	0.6
119.08583	1.5
121.02855	0.6
121.06523	0.6
121.10149	2.4
122.06030	1.7
123.00741	0.7
123.04426	2.0
123.11707	2.0
125.05933	0.6
125.09615	0.6
127.03929	0.7
129.06989	0.6
131.04939	2.1
131.08572	1.0
134.03708	0.7
135.08061	0.7
135.11678	1.5
137.02356	1.0
137.05965	4.0
137.09615	0.8
137.13261	1.3
139.03903	1.2
140.07063	1.9
141.06949	1.3
144.04480	1.1
145.06479	1.2
145.10085	0.7
147.04393	1.8
147.07999	0.7
147.11705	0.9
148.05200	0.9
149.02260	3.0
149.06007	0.9
149.13240	2.6
151.03934	0.8
152.06226	0.6
153.07008	0.7
153.12769	1.0
155.10780	0.6
155.14371	0.6
157.06514	1.2
157.10133	0.7
159.04372	0.6
161.05952	1.1
162.03123	1.2
162.40300	0.5
163.03909	1.1
163.07608	1.2
163.10999	0.6
163.14801	0.6
164.04681	2.3
165.05502	0.9
165.07004	1.2
165.09050	0.6
167.03397	2.7
167.07011	1.4
167.14413	0.7
168.05692	0.9
169.05040	0.6
169.06444	2.1
171.04430	2.1
172.03912	2.4
175.03920	3.0
177.05434	1.1
181.06464	1.5
182.07280	0.5
183.06514	0.8
184.03647	2.1
184.05252	1.3
185.05933	2.5
186.06754	2.1
187.03949	2.5
187.07510	0.7
188.04610	0.6
191.06982	1.1
196.05202	1.3
197.05984	5.8
198.06778	1.8
199.02083	0.9
199.03902	16.2
199.07535	0.6
200.04622	1.5
200.55655	0.5
201.05472	1.1
201.09001	1.1
202.39091	0.6
203.07056	1.0
204.06552	6.1
205.04955	1.0
206.08235	0.8
207.02898	0.6
207.06450	0.6
210.03139	0.5
210.06827	0.7
211.03909	2.1
212.04677	1.6
213.05501	7.1
214.06226	4.2
215.03337	1.2
215.07129	0.8
216.04077	0.6
217.04976	1.3
224.04613	1.3
225.05449	4.1
225.09067	0.8
226.06223	3.4
227.03423	6.7
227.06929	3.7
228.04259	1.7
229.05095	1.1
231.03006	0.6
231.06487	6.3
238.06282	1.0
239.03369	5.6
239.07066	1.2
240.04010	0.8
240.55498	0.6
241.04922	8.5
241.08630	2.8
242.05727	7.9
243.06570	3.0
244.03670	1.6
245.08180	0.6
252.04282	1.1
253.05078	2.6
254.05716	4.1
255.02866	12.1
255.06458	4.0
256.03415	0.8
256.07303	4.4
257.08084	12.5
258.05106	0.8
259.05927	3.2
267.02759	4.3
267.11142	0.7
269.04443	7.7
269.08063	2.9
270.02252	1.1
270.05212	18.7
271.05923	5.7
272.03241	0.7
281.04541	1.0
282.05197	8.7
283.02396	4.9
283.05899	1.4
284.06796	8.0
285.07581	36.5
285.11008	1.6
286.07990	2.2
287.05511	11.6
289.10632	1.3
291.26846	0.7
297.03888	4.0
298.04709	2.6
299.05475	2.5
299.09128	1.9
299.12357	0.7
300.02533	0.9
301.07037	1.9
302.07736	1.5
309.27890	0.7
312.06299	5.6
313.07086	41.8
313.10614	3.8
314.07629	3.0
315.04971	9.1
316.05444	0.7
317.06360	0.9
317.10016	1.0
327.08694	0.6
327.12372	1.5
329.06433	1.6
330.07339	23.0
331.07660	1.1
345.09695	100.0
345.13290	5.0
346.10156	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	345.0969
Annotation	Eupatorin
Peak:m/z	Relative Intensity
69.03395	0.3
92.69681	0.2
105.03372	0.7
107.01318	2.0
108.02075	1.6
109.02862	0.6
121.06490	0.3
129.06952	0.3
131.04907	0.5
133.02834	1.7
137.05995	0.4
148.05203	2.2
151.03932	0.4
152.06181	0.3
157.06503	0.9
168.05717	1.5
169.01266	0.3
185.05980	2.7
192.04076	0.5
195.04401	0.8
196.05142	1.2
197.05760	0.3
204.06563	0.3
210.06775	0.3
210.14243	0.2
213.05496	4.1
223.03853	1.8
224.04605	0.6
227.07126	0.5
229.04857	0.5
229.81317	0.4
237.05415	0.3
241.04945	12.4
244.03438	0.3
255.06534	0.9
256.07285	8.9
257.04355	0.6
259.06015	2.1
266.05829	0.4
269.04416	4.9
269.07175	0.4
282.05270	0.7
283.06064	0.4
284.06787	39.3
285.04044	0.5
285.07175	1.3
286.04721	0.6
287.05536	3.4
297.04013	0.6
299.09064	0.4
301.07019	1.1
312.06265	33.4
313.06732	1.5
315.04944	4.0
329.06577	2.0
330.07321	25.1
331.07672	0.8
345.09674	100.0
346.10049	2.8
358.22397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0969
Annotation	Eupatorin
Peak:m/z	Relative Intensity
53.68486	0.2
67.05502	0.3
71.52115	0.2
78.82378	0.2
81.07051	0.2
91.05489	0.2
93.48658	0.2
105.03401	0.7
107.01320	1.8
107.04937	0.3
108.02125	1.3
109.02861	0.4
117.47153	0.2
119.08675	0.3
129.07010	0.4
131.04936	0.5
133.02831	1.2
134.03615	0.7
139.00262	0.2
140.06230	0.3
145.06406	0.3
146.46204	0.2
148.05199	1.9
149.02272	0.3
153.01785	0.6
154.02628	0.5
157.06462	1.0
167.03400	0.3
168.04420	0.3
168.05727	1.5
169.06537	0.3
175.03947	0.3
181.01231	0.3
182.02106	0.6
182.07199	0.2
185.05983	3.2
192.04129	0.5
195.04366	0.5
196.05156	1.0
197.04372	0.4
197.06003	0.5
199.02419	0.7
199.07545	0.3
200.03165	0.8
213.05461	4.4
223.03789	1.1
224.04721	0.7
225.05435	0.5
227.07008	0.5
229.04951	0.4
231.06454	0.6
237.05617	0.2
239.07184	0.3
241.04964	11.1
242.05328	0.5
243.06665	0.2
244.03738	0.9
252.04147	0.7
255.06381	1.1
256.07312	8.7
258.05191	0.3
259.06012	3.5
263.75198	0.2
266.05682	0.4
269.01532	0.3
269.04477	4.9
270.05090	0.4
273.07538	0.5
274.08566	0.4
282.05292	0.7
283.06027	0.5
284.06799	31.7
285.04175	0.5
285.07260	1.4
286.04739	0.7
287.05518	5.3
288.06021	0.3
294.05060	0.3
297.03928	0.9
299.05560	0.3
300.06580	0.3
301.07108	1.9
311.05255	0.3
312.06281	25.3
313.06876	1.0
315.04980	4.8
329.06604	2.7
330.07346	19.2
331.07745	0.7
345.09689	100.0
346.10031	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0968
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.18444	0.4
55.01862	0.5
55.05499	1.6
56.96569	0.6
57.07077	0.9
65.03942	1.1
67.05503	2.5
68.99796	0.7
69.03400	1.0
69.07063	3.6
69.43710	3.7
77.03943	0.5
79.05476	1.8
79.20945	0.5
81.07059	6.6
83.04972	0.7
83.08608	1.3
84.43111	0.4
85.02905	0.8
85.06535	2.0
91.05476	4.7
93.07040	2.8
95.04954	0.8
95.08603	4.6
96.02100	0.5
97.02890	1.0
97.06496	1.0
98.97536	0.8
99.08095	0.5
103.58162	0.5
105.07016	1.4
107.04964	0.8
107.08580	2.6
109.02884	0.8
109.06536	0.6
109.10143	3.0
111.04457	2.9
111.08073	1.3
111.11710	0.7
118.20519	0.4
118.30043	0.4
119.04926	0.9
119.08544	1.6
120.08100	0.5
121.02877	0.5
121.06478	0.7
121.10130	1.3
122.03693	0.4
122.06010	0.8
123.00787	1.6
123.04424	0.8
123.11729	2.4
124.05086	0.5
125.02348	0.5
131.04933	0.8
133.10107	0.9
135.04388	0.4
135.11678	0.8
137.05975	4.9
137.09616	0.6
137.13258	1.7
138.03085	0.6
139.03873	1.6
139.68913	0.4
145.06503	0.7
147.04411	0.9
147.08069	1.4
149.01141	0.9
149.02336	17.1
149.13254	1.6
151.03951	1.0
153.05434	1.0
153.06969	0.7
153.12778	0.8
155.14264	0.5
159.08104	0.7
160.08862	0.4
161.74780	0.5
163.03911	0.6
164.04688	36.7
165.05159	0.5
165.06996	0.5
165.09100	0.7
167.03406	25.0
167.14290	0.5
168.05632	0.5
169.01297	0.6
172.03874	1.1
175.03952	1.0
177.05482	0.9
177.09151	0.5
178.07681	0.6
179.08549	0.7
181.06395	0.8
184.03691	4.5
185.05969	0.7
188.08330	0.7
189.08965	0.6
191.07027	1.1
193.05022	0.6
195.08083	0.8
197.05997	1.0
198.06731	1.5
199.02332	0.7
200.04614	0.5
201.05539	0.7
204.06522	2.1
207.06517	1.1
210.06744	0.5
211.07561	1.2
212.08295	0.5
213.05467	1.3
213.08917	0.5
214.06120	0.6
217.04915	2.6
219.06502	2.3
223.07675	0.5
224.08293	1.1
225.09035	0.6
226.06174	1.5
227.07082	0.9
228.07838	0.6
229.04951	1.1
231.06631	0.8
237.05286	0.5
238.09859	1.0
239.06995	1.9
239.10706	1.0
240.07683	0.8
241.04996	1.0
241.08670	1.3
242.05745	2.4
243.06538	1.6
245.04420	7.5
252.07964	0.7
253.04889	0.7
253.08528	1.1
254.05855	4.1
255.06503	1.0
256.07300	1.5
257.08124	1.3
258.05154	1.1
259.05988	1.3
267.06570	0.5
267.10107	2.7
268.07330	1.8
269.04486	1.7
269.08151	2.6
270.05344	1.1
271.06091	0.9
281.08075	0.6
283.02469	0.6
283.06021	0.8
284.06949	0.8
284.10266	0.5
285.04608	0.9
285.07596	3.7
285.10858	0.9
287.05426	4.6
289.10730	0.5
295.09650	1.1
296.10349	1.3
297.04037	0.6
298.04727	3.3
299.05695	1.0
299.09177	8.1
299.12842	1.5
301.06757	0.7
309.27899	0.8
313.03534	1.0
313.07047	10.3
313.10693	3.9
315.04987	10.9
317.06476	1.0
327.12289	5.5
329.06519	1.8
330.07339	35.0
331.07678	1.3
345.09686	100.0
345.13068	4.8
346.10083	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30312	3.0
53.03946	3.6
55.01868	4.9
55.05504	8.7
56.58024	3.6
56.96568	6.6
57.03439	12.2
58.49922	3.6
67.05497	28.3
69.03435	7.6
69.07071	27.9
71.04997	9.0
71.26994	8.3
73.02915	3.7
79.05484	31.9
81.03404	16.3
81.07059	35.7
85.02918	5.2
85.06555	4.5
87.22198	3.2
91.05486	21.9
91.75154	2.9
93.07046	24.0
95.04441	3.7
95.04958	17.9
95.08575	15.8
97.02888	3.5
97.06527	100.0
99.08084	4.6
105.07026	12.2
107.04955	9.5
107.08597	13.4
109.06517	10.4
109.10150	8.1
111.08051	3.7
115.07590	23.1
117.07036	6.9
119.08565	12.6
121.06491	4.1
121.10141	6.7
123.08095	4.5
129.06981	4.9
131.08572	8.9
133.10118	8.1
135.08041	6.2
135.11710	4.9
137.05984	7.2
145.10193	4.0
147.08031	5.0
149.13284	6.1
151.11169	4.1
157.10178	6.2
159.11696	6.6
177.12825	7.0
195.13811	6.5
204.06717	4.8
227.03468	4.0
253.05058	3.6
269.04431	5.8
283.05933	3.7
285.07822	4.3
313.07043	20.0
313.10394	5.3
315.04846	8.2
330.07132	7.6
344.18726	4.1
344.26172	6.8
345.09750	20.3
345.13443	6.6
356.89090	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0606
Annotation	3,5,3'-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.31704	0.4
53.03931	0.5
55.01862	1.4
55.05505	1.2
56.96571	2.6
57.03439	1.1
59.04998	0.6
61.02925	2.4
66.66098	0.5
67.05506	4.1
68.99786	1.2
69.03407	1.4
69.07057	1.7
70.73267	1.5
71.01349	0.4
71.04981	0.9
73.02918	1.0
79.05474	1.7
81.03413	2.1
81.07056	3.0
83.08631	1.1
84.02132	0.9
85.02892	2.1
85.06563	0.5
88.71416	0.5
91.03970	1.1
91.05499	2.3
93.07030	1.5
94.06544	0.5
95.04981	1.5
95.08593	2.8
97.02895	1.8
97.06572	0.7
98.97620	1.0
99.00821	2.9
101.02393	0.8
105.03385	1.1
105.07014	1.9
107.04964	0.8
107.08595	1.8
109.02889	1.1
109.06497	0.6
109.10155	3.4
111.08038	0.7
112.01590	2.9
116.04955	0.5
119.04898	0.6
119.08577	1.6
121.06512	0.7
121.10117	1.6
122.05981	0.6
123.04427	0.6
127.00299	3.3
127.03895	0.9
128.62424	0.4
129.06967	0.7
131.04941	1.2
131.08559	0.9
133.02840	2.4
133.10153	0.9
135.08072	0.8
135.11655	0.6
137.02354	1.7
137.05965	1.6
140.01016	1.0
140.07089	1.1
144.04436	0.6
145.10110	0.5
147.04311	0.9
147.07999	0.7
147.11717	0.5
149.01228	0.7
149.09534	0.6
151.03941	0.7
151.07628	0.7
153.01775	0.6
153.05463	0.6
154.99747	0.9
155.03412	1.1
157.10097	0.5
159.07976	0.5
159.11661	0.7
161.02351	2.9
162.03136	26.7
163.03952	2.3
165.06892	0.6
165.09145	0.5
168.00548	9.1
171.04448	0.7
172.03911	1.3
173.11732	1.4
175.03929	1.3
175.11162	0.5
176.04771	0.5
177.00734	0.8
183.02904	13.6
185.06033	0.6
186.01604	30.9
189.01898	1.6
191.07024	1.1
193.12204	0.9
199.03976	0.5
199.06430	1.0
203.05836	0.6
204.06624	2.7
207.13776	0.5
211.06433	0.8
215.03426	0.6
216.04199	2.6
217.07518	1.2
227.03571	0.8
228.04182	0.7
229.07443	8.5
229.14331	1.2
232.03725	1.0
239.06970	0.6
243.02953	0.7
243.08824	0.8
244.03680	14.4
245.04428	1.1
247.06133	0.6
247.08598	6.6
250.09641	0.8
252.09210	0.6
254.02193	0.6
259.02304	0.6
259.06052	6.0
259.10138	1.6
267.08975	3.5
267.15909	0.8
269.04465	0.7
270.10220	0.7
271.05890	0.6
272.03174	3.0
273.03946	1.4
285.04138	0.6
285.07370	0.9
285.10092	3.6
287.05533	10.6
289.07126	0.5
295.09671	0.7
299.11893	1.1
300.02750	4.5
301.03351	0.7
308.11810	0.9
312.02554	1.1
313.03491	0.7
313.07190	1.0
313.10693	2.4
315.04987	4.2
315.40088	0.5
317.06686	0.6
317.12671	1.1
320.13885	2.8
327.05002	0.7
327.08701	0.7
327.12442	0.8
330.03693	4.7
345.06052	100.0
346.06415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
53.89434	0.4
54.00301	0.4
55.01859	0.4
55.05482	1.4
56.96542	0.4
57.03405	0.5
60.04524	0.4
60.53115	0.3
67.05468	1.6
68.99770	0.5
69.03396	1.0
69.07045	1.5
71.04966	0.5
71.60556	0.3
71.61015	0.7
79.05499	5.2
80.04990	0.9
81.03400	0.8
81.07065	2.8
83.04962	0.5
83.08604	0.8
83.22867	0.4
84.08118	0.5
85.02917	0.5
86.09673	0.7
87.99070	0.4
90.98344	0.4
91.04970	0.4
91.05484	4.6
93.06556	0.4
93.07044	4.3
94.06538	1.0
95.04939	1.3
95.08602	2.7
97.02855	1.1
99.04436	0.6
103.04810	0.5
103.05468	10.5
105.07020	3.8
107.04951	5.4
107.08604	2.3
108.08118	14.3
108.08856	1.0
109.08916	1.0
109.10137	1.0
110.09640	1.6
111.04459	0.4
112.78338	0.4
115.05402	0.6
117.07008	0.8
119.04916	0.9
119.08566	1.1
120.08111	3.8
121.06468	0.7
121.10101	1.0
122.05963	0.6
122.09671	10.8
123.10408	1.7
123.11720	0.4
127.03898	0.8
129.06956	0.8
130.06520	3.7
131.04926	5.9
132.08054	2.1
133.06497	0.4
133.10083	1.0
134.09644	0.8
135.08035	0.7
135.11687	2.5
136.11201	4.9
137.05916	1.4
137.13214	0.8
139.03894	0.6
140.07043	1.4
144.04376	0.4
148.11107	0.4
149.05991	0.8
150.12778	23.1
151.13589	6.9
152.14337	4.0
153.15154	0.5
157.06425	0.5
161.05949	0.9
161.13249	0.6
162.12738	0.6
163.03934	0.6
164.14268	0.8
166.08624	0.8
167.07069	0.6
170.09604	0.7
172.03906	1.3
172.11122	0.5
174.48618	0.5
177.05403	0.8
180.10190	4.8
185.05940	0.5
185.13191	0.5
191.06950	0.7
198.12842	0.5
200.14333	1.4
204.06549	2.7
207.06557	0.4
212.14366	0.5
213.05501	0.8
226.16039	0.8
227.06927	0.6
228.10268	1.9
230.11732	0.6
241.05022	0.9
246.05276	0.6
246.11276	0.7
246.14885	1.4
254.19048	3.5
255.02829	0.4
255.06479	1.1
256.13385	0.8
267.06268	0.5
269.04446	0.8
270.05157	0.6
270.14777	2.1
271.06143	0.4
272.16428	0.4
272.20038	0.6
281.04498	0.5
282.43765	0.4
284.06885	0.6
285.07681	1.3
285.11298	0.4
287.01877	1.0
287.05270	0.6
295.09616	0.5
297.03909	0.6
298.18027	1.3
299.05609	0.6
299.08920	0.7
300.19577	100.0
301.19910	4.8
302.21124	3.1
312.06229	1.0
313.06995	4.4
313.10703	1.8
315.05017	0.9
317.06451	0.7
327.08679	0.8
327.12369	0.6
330.07254	0.7
344.22211	60.8
345.05945	3.2
345.09692	6.4
345.13507	1.8
345.22568	3.4
356.92630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01862	0.6
56.96569	0.6
57.03438	0.6
60.08157	1.1
61.02927	0.6
67.04247	0.6
68.05048	0.5
69.03423	1.8
70.06583	1.1
71.33447	0.4
71.50978	0.6
81.03425	0.8
84.04501	0.5
84.08147	0.6
85.02908	3.8
86.09737	0.5
91.05496	0.9
95.04996	0.6
97.02896	1.6
97.06499	0.5
98.97578	0.6
107.06082	2.2
108.06799	0.4
109.86898	0.4
111.05573	0.4
116.98632	0.5
119.04938	2.5
120.08103	0.7
123.04468	0.9
125.01694	1.3
126.02478	1.5
127.03240	1.8
127.04022	0.5
134.04614	9.2
135.03035	0.8
137.05920	0.9
140.02745	0.6
140.07034	0.4
147.03252	0.7
147.04410	13.1
152.05708	1.6
161.10738	0.4
163.03940	1.1
164.07065	0.5
165.02380	2.9
165.05472	6.3
167.02591	1.4
169.04271	1.9
177.06836	0.6
182.04965	100.0
183.05307	0.8
185.03702	0.4
223.09021	1.0
228.11652	0.9
241.10149	2.7
263.05054	0.6
298.10629	0.6
300.17508	3.4
327.08759	0.6
344.10168	15.9
344.16608	0.7
345.10422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01675	0.8
57.84372	0.9
61.02917	2.4
64.18993	0.8
68.90083	1.1
69.03423	5.2
70.06568	3.1
71.06970	2.6
73.02894	1.1
73.58089	1.0
79.68112	0.9
81.03403	2.9
85.02901	17.7
86.09677	1.4
91.05462	5.6
97.02877	3.9
109.02801	1.7
119.04112	1.4
119.04942	20.3
121.10171	1.0
123.04409	2.1
127.03899	3.1
145.04962	2.5
147.04404	100.0
148.04861	1.1
154.03238	1.6
165.05472	47.4
182.08098	1.6
190.87061	1.1
193.04846	1.0
210.54677	1.1
248.28648	1.0
272.49283	1.3
344.07565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70630	1.1
55.05509	2.5
56.05013	1.8
58.99569	1.1
59.04992	2.0
60.08171	18.8
65.03905	1.1
67.04250	12.7
68.05029	10.0
69.03410	1.8
69.05804	3.2
69.07059	2.9
69.66570	1.7
69.66978	6.4
70.06582	4.9
71.04993	1.0
72.08134	2.9
79.05493	2.5
80.05028	1.8
83.06098	4.0
84.04514	2.2
85.02901	6.6
86.09674	1.6
91.05474	2.1
95.06096	5.7
97.06570	5.0
98.00615	1.7
99.01425	1.4
99.02676	2.7
100.02190	2.9
103.07579	3.5
107.06082	51.9
108.06851	4.3
111.04433	1.6
111.05568	20.7
119.04935	4.3
123.04414	2.0
123.39366	1.0
125.01706	29.4
126.02492	26.7
127.03255	37.6
127.03976	1.5
128.02580	1.6
134.04648	2.3
135.04440	2.0
135.05461	1.8
136.07614	1.2
137.02266	1.4
137.05959	1.4
139.03273	1.6
140.04024	1.1
140.07057	1.3
141.04793	11.8
142.03244	1.4
143.03127	1.1
147.04398	17.2
150.25003	1.1
153.04803	3.7
156.08575	1.0
161.10767	9.1
162.11478	1.5
162.14975	1.1
163.03912	4.8
164.07101	1.3
165.05493	9.8
165.11247	6.9
169.04309	62.5
173.19226	1.2
182.04971	20.8
182.08174	3.5
183.06453	1.3
184.09111	1.3
185.03802	4.5
185.09798	3.9
195.09474	5.8
202.06900	1.1
223.08975	16.8
228.09503	2.0
228.11684	30.9
228.13939	1.8
241.10059	62.8
252.97858	1.1
257.09549	2.8
282.16333	2.5
285.09055	2.0
300.17410	100.0
301.17627	3.6
340.37802	1.1
344.09714	1.8
344.13074	4.5
344.16672	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.0
55.05515	15.4
56.96581	3.5
57.03416	6.3
57.07090	6.7
59.22651	2.9
65.03923	3.6
67.05511	29.5
69.03422	10.3
69.07072	51.5
71.04996	10.7
79.05498	20.2
81.03407	4.0
81.06586	6.7
81.07061	100.0
83.04984	5.2
83.08607	10.1
84.26424	4.1
85.02890	3.2
85.06548	19.2
91.05470	18.5
93.07049	40.6
95.04962	17.2
95.08609	66.1
95.09186	6.6
97.06514	5.5
97.10164	8.5
99.08105	12.1
101.06030	6.4
105.07054	31.4
107.08592	46.7
109.06514	6.0
109.10160	34.3
111.08105	3.8
111.11736	9.1
115.07574	4.5
117.03336	3.1
119.08595	23.9
121.10143	27.8
123.11713	24.4
125.09641	4.8
127.07587	3.5
127.11228	3.9
128.26979	3.1
131.08582	6.7
133.10136	9.3
135.08038	11.1
135.11694	26.0
137.05992	15.6
137.09634	5.7
137.13293	9.7
139.11197	6.2
145.06435	4.2
145.10139	10.7
147.11705	18.9
149.06012	3.7
149.13304	14.8
151.11189	4.0
159.11682	10.5
161.06001	8.5
161.13324	9.9
163.07532	6.7
163.11224	7.8
163.14815	9.5
165.12802	6.2
170.92342	3.5
173.13231	3.7
175.14873	7.0
177.05536	7.1
177.16386	9.5
178.05832	3.4
181.05032	8.0
181.06473	4.1
181.08594	5.7
184.07431	3.4
187.14780	4.6
189.09131	4.1
189.16383	4.7
195.17342	4.7
202.20587	3.8
265.08588	6.0
271.24329	4.7
277.25183	8.6
283.10120	3.3
289.25262	10.3
295.26245	5.6
307.26340	10.9
308.34998	3.4
311.12704	3.1
325.27496	4.4
343.08182	6.2
343.11865	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	343.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01863	2.8
55.05509	17.6
56.96562	1.9
57.03437	2.7
57.07067	6.0
65.03941	3.2
67.05502	31.7
69.03430	5.1
69.07071	40.9
69.60753	11.3
70.06587	2.1
71.04997	6.8
72.08156	3.8
72.89996	1.6
79.05495	23.5
81.03407	3.4
81.07058	100.0
83.04986	4.2
83.08614	11.3
84.08151	1.5
85.02914	2.9
85.06544	20.2
86.09703	1.7
91.05476	18.1
93.06470	2.2
93.07048	37.5
94.84430	1.3
95.04973	15.7
95.08607	79.7
96.08956	1.7
97.06526	4.3
97.10157	7.3
98.21457	2.8
99.04462	2.7
99.08073	10.7
101.06003	3.2
103.05481	3.8
105.07031	34.4
107.04966	4.2
107.08591	35.4
107.09296	2.7
108.08125	2.1
109.06519	6.0
109.10157	36.1
110.06023	1.6
111.08086	5.8
111.11729	10.5
113.09637	2.4
115.07584	2.2
116.07027	1.4
117.07050	4.2
119.08585	25.9
121.06500	4.6
121.10144	29.3
122.06027	1.2
122.09673	1.9
123.04469	2.0
123.08026	2.6
123.11697	20.1
124.07557	1.7
125.05991	1.6
125.09625	4.4
125.13268	1.6
127.03963	1.5
127.07599	1.6
127.11175	2.7
131.08563	7.4
133.10130	18.6
135.08049	2.8
135.11693	28.1
137.05986	8.8
137.09607	4.0
137.13234	7.2
139.11159	8.3
143.05652	4.1
143.08583	2.9
144.09358	2.0
145.10129	11.8
147.11685	17.8
149.05981	2.9
149.09755	1.3
149.13231	15.8
150.12779	3.3
151.03836	1.6
151.07501	2.9
151.13661	1.8
151.14836	1.9
153.05482	6.7
153.12762	5.0
155.10674	3.1
157.10210	1.3
159.11688	14.8
161.05978	3.8
161.13263	9.8
163.07510	2.9
163.11162	3.0
163.14851	9.7
165.12695	7.2
167.07034	1.5
167.14281	2.5
169.06467	1.5
173.13239	2.2
175.07547	3.4
175.14853	5.6
177.05534	1.5
177.16379	13.5
179.14322	1.7
181.04982	3.9
187.11111	7.1
187.14787	3.3
189.16383	3.4
191.10657	1.6
195.17429	6.6
201.16420	2.1
205.12270	3.5
207.17369	2.5
209.09634	1.6
213.18539	5.6
215.17992	3.9
223.07574	1.9
228.30360	1.3
233.11790	2.2
237.09306	1.9
252.07913	1.4
265.08585	1.9
269.32092	1.7
271.24243	4.7
277.25119	7.2
289.25211	14.0
295.26373	3.9
297.08072	1.6
297.11456	2.2
299.12921	1.7
300.19592	16.0
307.26428	7.6
325.10706	2.4
325.18774	1.6
325.27371	3.2
343.04471	1.7
343.08270	2.2
343.11652	6.9
343.28278	2.1
344.22226	12.6
350.84079	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2267
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	9.3
55.01873	4.9
55.05510	24.5
57.03428	8.4
57.07072	11.7
59.04991	5.9
61.68617	1.8
63.64249	2.2
65.03941	2.8
67.05506	28.4
69.03431	16.0
69.07060	6.9
69.93571	8.2
71.04996	18.9
73.77073	2.3
75.66686	1.9
76.57224	1.9
79.05494	29.5
79.55245	2.0
81.03429	4.2
81.07066	37.0
83.04974	7.0
83.08588	4.5
85.06527	5.0
86.18275	1.9
91.05480	36.5
93.07044	87.2
95.04361	3.6
95.04968	67.8
95.08607	88.1
97.06524	18.3
98.21386	4.2
103.05421	4.6
104.04168	2.4
104.43337	2.0
105.07030	98.7
107.04929	3.9
107.08595	69.0
109.06519	17.1
109.10152	7.0
113.09649	2.4
115.05438	10.6
117.06310	3.2
117.07019	28.8
119.08588	37.4
121.06515	21.3
121.10140	20.9
123.08078	31.3
125.06017	3.0
129.07002	7.3
130.07787	21.3
131.08588	15.5
133.06479	5.8
133.10150	19.2
135.07083	3.4
135.08055	30.0
135.11699	15.4
137.05974	3.4
137.09607	5.6
142.07742	5.9
143.08559	15.8
144.09407	2.0
145.06471	2.8
145.10120	98.9
147.08057	13.9
147.11693	8.2
149.09639	8.3
149.13193	2.0
149.40184	2.0
151.07550	47.6
153.09152	5.3
155.08514	5.8
156.09314	4.5
157.10135	12.1
158.21004	2.2
159.08018	5.8
159.11685	11.1
161.09619	9.3
161.13235	5.7
163.07542	3.9
163.11183	74.8
165.09140	18.7
167.08580	3.7
168.09285	2.1
169.10147	6.2
170.10898	2.8
171.11626	9.9
173.09589	5.9
173.13252	4.3
174.10426	1.9
175.11148	3.8
177.09099	6.3
179.07028	6.6
179.08582	2.8
181.10201	2.7
181.12234	4.1
182.10773	2.1
183.11732	4.2
183.26904	1.8
185.09608	2.4
187.11197	5.9
187.14812	3.8
189.09189	3.2
189.12747	13.5
191.10695	5.0
191.14323	3.7
195.11760	2.7
197.13364	5.6
199.11095	2.3
199.14828	2.5
203.14365	10.0
207.10124	3.1
207.13852	7.8
209.13332	3.6
209.15355	4.9
215.14297	6.2
217.12248	4.3
219.13799	2.3
221.13304	4.1
221.15338	36.0
223.14899	3.2
225.16356	3.8
227.14299	2.1
233.13217	2.4
233.15408	6.0
239.14011	2.4
241.15823	2.3
251.14157	2.3
263.16470	8.1
269.15488	4.8
274.19293	2.1
286.19266	5.5
287.16666	2.8
287.19962	2.2
307.20816	2.2
325.21603	17.4
343.22668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03936	5.4
55.01860	8.7
55.05510	16.2
55.50186	1.6
57.03438	9.2
57.07072	11.0
59.04993	5.1
65.03921	2.5
67.05502	30.2
69.03429	13.8
69.07063	8.8
70.05050	4.0
70.05444	7.3
71.04990	21.0
78.03594	1.6
79.05493	28.7
81.03408	5.1
81.07057	36.6
83.04963	7.2
83.08631	3.1
85.06536	4.9
91.05480	42.3
93.07042	80.2
95.04968	61.1
95.08607	90.9
97.06532	17.6
101.36102	2.0
103.05457	3.5
105.07033	90.0
107.04964	4.0
107.08596	57.4
108.05727	2.3
109.06517	20.4
109.10134	5.4
111.08096	2.4
115.05451	7.4
117.07018	30.0
119.08586	33.0
121.06510	17.7
121.10143	16.6
122.07323	2.3
123.08076	31.1
125.05990	3.8
128.06200	3.9
129.06973	7.9
130.07785	17.0
131.08574	12.2
131.93050	1.8
133.06468	6.6
133.10138	19.5
135.08046	29.1
135.11711	16.1
137.06004	2.9
137.09607	6.3
140.72800	1.7
142.07762	4.1
143.08582	15.7
144.09306	2.1
145.06470	3.7
145.10118	100.0
147.08035	17.2
147.11684	5.0
149.09596	6.1
151.07536	56.0
153.09099	5.8
155.08574	3.8
156.09311	4.4
157.10129	13.2
159.08073	3.4
159.11673	9.0
161.09636	9.2
161.13237	3.3
163.11179	65.2
164.11658	2.4
165.09114	21.1
169.10103	4.7
171.11655	7.5
173.09604	5.7
173.13246	4.1
175.11192	8.0
177.09123	6.2
179.07043	4.9
181.10243	2.8
181.12192	5.3
183.11603	3.0
185.13298	3.5
187.11206	6.0
189.12735	11.2
191.10796	2.0
191.14331	2.6
195.11650	2.5
197.13232	4.6
199.11288	2.4
201.12810	2.5
203.14275	10.6
207.10059	3.0
207.11945	3.1
207.13809	9.4
209.15378	5.9
211.14758	2.3
213.12720	3.4
215.14325	2.8
217.12170	2.7
221.15358	28.3
223.14825	3.3
225.12752	2.4
227.14220	2.2
233.15433	6.7
241.15923	2.7
243.13855	2.4
263.16519	5.5
269.15350	4.9
274.19220	2.3
286.19302	5.3
287.19937	4.0
307.20660	2.7
325.21646	15.6
329.13889	1.9
343.07965	2.5
343.22681	84.1
344.22952	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03932	5.7
55.01861	7.0
55.05510	18.8
55.95547	1.8
57.03424	10.7
57.07078	10.1
59.04985	5.5
65.03920	2.9
67.05179	2.3
67.05499	33.9
69.03430	11.7
69.07053	7.7
69.92657	10.7
71.04989	20.5
72.43367	1.7
77.03955	1.8
79.05488	25.3
81.03403	5.0
81.07055	38.8
83.04974	5.8
83.08609	4.4
85.06521	6.8
90.19115	1.9
91.05473	39.5
93.07045	77.0
95.04966	69.4
95.08604	91.7
97.06536	18.0
98.01725	1.9
99.93220	1.7
102.67573	1.8
103.05439	2.9
105.07028	92.0
107.04935	4.5
107.07867	3.6
107.08590	65.9
108.04555	1.9
109.06515	21.7
109.10133	5.0
115.05435	8.4
117.07008	35.6
119.04914	2.1
119.08576	37.2
121.06516	20.3
121.10132	19.7
122.07214	1.9
123.08083	31.1
125.05988	2.0
128.06261	4.0
129.06995	7.4
130.07779	18.6
131.08592	12.4
133.06514	10.0
133.10143	21.8
135.08057	27.1
135.11679	18.4
137.06044	2.0
137.09593	8.0
142.07718	4.1
143.08553	14.3
144.09360	2.1
145.06531	4.6
145.10118	100.0
146.10455	2.7
147.08031	19.6
147.11682	4.4
149.09656	10.6
150.99385	1.7
151.07538	60.0
153.09076	2.2
155.08566	3.1
156.09363	3.6
157.10106	11.7
159.08028	3.5
159.11681	12.9
161.00471	2.0
161.09579	11.4
161.13239	6.4
163.11174	74.2
165.09084	23.6
167.08560	2.6
169.10109	5.4
171.11670	6.7
173.09625	8.7
173.13258	5.9
175.11145	6.7
175.14865	2.4
177.09109	5.6
179.06999	5.8
179.08379	2.3
179.10686	3.8
181.10156	4.4
181.12169	2.8
183.11713	3.7
187.11177	7.5
187.14847	2.6
189.09097	2.8
189.12750	12.0
191.14316	5.5
195.11728	4.1
197.13251	5.8
199.11153	2.9
203.14348	9.5
207.10115	5.1
207.11972	2.6
207.13759	9.1
209.13199	2.1
209.15239	2.5
215.14238	3.8
217.12219	3.7
221.15381	37.4
223.14813	4.1
225.12775	2.8
225.16353	2.9
227.14328	2.7
233.15347	6.6
241.16031	2.0
243.13805	2.3
245.15349	2.4
263.16373	11.3
269.15503	3.9
274.19403	3.2
281.19122	2.0
286.19272	5.9
287.16272	2.1
299.20087	2.4
307.20663	2.3
325.21597	12.2
343.22647	91.9
344.23022	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	343.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45776	0.7
53.03930	1.7
55.01857	3.4
55.05496	1.6
55.32429	0.5
56.96549	1.1
57.03434	4.4
57.07069	1.7
61.02918	3.7
65.03925	1.2
66.70518	0.5
67.05486	2.1
68.99811	0.6
69.03423	16.5
69.07052	2.5
69.94419	3.7
70.06573	2.6
71.01339	0.7
71.04969	2.5
72.08135	2.4
73.02893	2.5
74.06056	1.0
79.05486	4.5
80.05024	0.8
81.03413	8.0
81.06579	0.8
81.07050	12.3
83.01329	0.9
83.04973	6.2
84.04509	0.8
84.08136	3.4
85.02898	37.0
85.06525	1.1
85.19202	0.6
86.09688	2.7
87.04451	2.3
88.03994	2.0
89.03894	0.9
91.03935	1.4
91.05463	7.1
93.07041	11.4
95.04964	20.4
95.08575	1.8
97.02879	12.1
97.06531	4.0
98.52328	0.6
99.04435	2.9
99.08083	1.1
102.05511	0.7
103.03899	0.8
103.05451	1.0
104.17269	0.6
105.07024	7.6
107.04939	11.2
107.08578	11.1
108.04465	0.8
109.02881	3.5
109.06506	3.6
111.04440	4.1
111.08078	1.1
114.03730	0.7
115.03889	0.8
115.05461	0.6
116.01671	1.8
116.98598	0.7
117.03361	1.2
117.07030	3.1
118.06572	0.7
119.04900	1.3
119.08556	5.1
120.08073	1.1
121.02875	0.6
121.06481	4.0
121.10140	11.3
123.04417	2.1
123.08031	1.3
125.05991	11.7
127.03905	8.4
129.06995	1.0
129.10202	1.0
130.07800	3.1
131.04816	0.7
131.08475	0.7
133.02815	1.1
133.06516	1.6
133.10120	1.9
135.04356	5.3
135.06973	0.7
135.08040	1.6
135.11676	7.4
136.07576	1.5
136.56679	0.7
137.05954	3.9
139.03918	5.6
142.03224	3.0
143.08530	1.5
145.02835	0.9
145.04951	7.0
145.09038	1.3
145.10117	19.9
146.06013	1.2
147.04373	1.0
147.08066	1.9
147.11665	0.9
148.08717	0.9
149.05951	1.5
161.05949	1.0
161.09567	1.7
162.02176	2.7
163.03920	7.9
163.07489	1.7
163.11166	100.0
164.07059	0.6
164.11548	2.0
165.09100	2.1
165.88274	0.6
167.07040	1.7
170.02730	1.7
175.11211	2.4
177.05464	0.9
181.04927	8.6
181.12218	19.3
183.10098	1.3
187.11172	1.2
193.12204	0.8
194.14223	0.7
205.06532	0.7
205.12257	2.5
207.06447	0.8
223.13223	1.9
227.04842	0.8
282.08487	0.8
289.14404	0.6
297.07770	0.9
307.15356	1.5
325.10562	1.5
343.13367	3.2
343.17722	1.5
343.22577	0.8
344.12247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54959	0.5
55.01875	0.7
55.05504	0.8
56.05035	3.9
56.96576	2.4
57.03426	0.4
58.06607	0.6
67.05504	0.7
68.05011	0.5
69.03427	1.4
69.04569	0.6
69.07071	16.1
70.06591	1.2
71.60126	0.7
72.04520	0.9
72.08189	0.5
73.02884	0.5
74.02438	0.6
74.06083	6.2
79.05506	1.0
80.54790	0.4
81.03427	1.1
81.07053	1.2
83.06082	0.5
84.04504	1.7
84.08156	1.6
85.02899	2.0
86.09710	100.0
87.10040	1.3
91.05483	1.3
93.07019	0.9
95.04963	1.3
95.08614	0.8
97.02889	0.6
97.06557	0.4
98.06069	0.6
98.07196	2.9
98.09728	0.5
98.97556	1.1
99.04329	28.4
99.05583	2.8
99.64291	0.4
100.05097	1.3
101.07127	0.6
102.05537	1.1
105.07020	1.4
107.04950	0.9
107.08591	0.7
109.06525	0.5
110.07179	0.9
111.09223	0.8
111.20113	0.4
115.05461	0.6
116.98643	1.3
119.04897	0.5
119.08582	1.1
120.06580	0.7
121.10160	1.0
122.03648	0.5
123.04433	0.6
123.09194	1.2
126.06644	3.4
127.03987	0.8
127.05030	1.0
128.11844	2.0
128.98659	0.5
130.04980	0.6
133.02837	0.6
133.10156	0.5
134.99693	0.7
135.08076	1.4
136.07585	0.5
137.05977	3.9
140.11888	0.5
144.06551	1.9
144.07706	1.8
145.04974	0.5
145.10213	0.6
145.11482	0.4
147.04408	0.6
147.11612	0.6
149.05963	0.6
151.03928	0.7
151.07545	0.5
154.13438	1.3
156.11331	18.3
157.06454	0.4
159.11618	0.6
161.06001	1.3
161.13295	0.5
163.03935	0.7
163.07520	2.8
166.13400	7.5
167.06985	0.5
171.06465	0.7
176.06187	0.5
181.04993	3.1
182.12914	8.4
184.07222	1.0
188.05632	0.9
189.09201	0.7
193.08527	0.6
194.12895	0.9
198.08768	1.0
207.03047	0.9
209.02788	0.5
210.12398	0.5
212.13943	26.6
215.02931	0.6
216.03569	0.7
221.02803	0.6
226.53212	0.5
227.12614	1.3
230.03419	1.3
230.15056	1.1
230.53508	0.5
237.02863	0.8
237.09001	0.5
240.13431	25.9
248.03470	0.7
256.12946	6.2
258.14514	11.7
259.11465	0.6
260.76675	0.5
265.08731	1.0
266.04483	1.2
272.04398	1.7
275.04880	0.8
281.05048	0.9
283.09695	0.6
293.08017	0.7
299.12714	0.5
302.05478	1.5
311.09360	0.7
311.12747	0.5
325.14743	1.0
343.16138	66.2
344.16364	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.065
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22398	1.5
65.60242	1.3
67.92479	1.1
70.58388	4.2
70.58733	1.5
116.75158	1.1
140.15671	1.1
143.05617	2.1
148.82991	1.2
180.00414	2.3
199.01408	1.5
217.02470	2.8
219.51846	1.3
253.05943	1.7
262.06339	1.5
275.06830	1.2
343.06491	100.0
344.06421	2.0
364.50391	1.6
368.13742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	0.5
55.01868	0.8
55.05515	0.7
56.05041	4.1
56.96556	1.2
57.03441	0.5
58.06582	0.7
67.05509	1.1
68.05007	0.7
69.03431	1.8
69.07071	15.9
70.06598	1.4
71.04994	0.6
71.60012	0.7
71.60381	0.6
72.04517	1.2
72.08161	1.1
74.06081	7.4
75.73199	0.5
79.05476	0.8
81.03484	0.8
81.07069	1.3
83.04971	0.7
83.41373	0.5
83.41972	0.6
84.04502	1.1
84.05612	0.7
84.08164	2.7
85.02908	1.8
85.06563	0.7
86.09709	100.0
87.10007	1.2
91.05487	2.8
93.07048	1.6
95.04964	1.8
95.08617	1.2
97.02897	0.6
97.06524	1.2
98.06090	0.6
98.07175	3.0
98.09685	0.6
99.04326	21.3
99.05571	2.8
100.05127	1.1
100.11285	1.0
101.07114	0.5
102.05540	1.3
105.07006	1.0
107.04968	1.1
107.08601	1.5
109.06498	0.8
109.10180	0.6
111.04418	0.8
111.08057	0.6
116.98618	0.6
119.04989	0.7
119.08587	0.9
120.06618	0.9
120.08087	0.5
121.06544	0.5
121.07624	1.2
121.10142	1.0
123.04437	1.1
123.09221	1.8
125.05944	0.7
126.01107	3.9
126.06635	2.9
127.03927	0.5
127.05083	0.7
128.11868	1.3
133.02917	0.7
134.99623	0.5
135.04474	1.1
135.08047	1.7
136.07603	0.6
137.05963	2.5
137.09650	0.9
138.10277	0.4
144.06584	3.1
144.07700	2.0
145.10083	0.8
147.04347	0.5
149.05936	0.5
152.08167	0.8
154.13402	1.1
156.11331	18.8
161.05969	1.1
163.03949	1.0
163.07526	0.7
163.11221	1.5
166.13423	7.8
171.06401	1.9
181.04926	3.3
181.08557	0.7
182.12895	6.7
184.07185	1.3
187.11165	0.5
188.05539	1.7
194.12852	1.1
196.14471	0.9
198.08751	4.1
201.07472	0.7
202.08189	0.5
205.12311	0.9
207.06566	0.5
210.12375	1.0
212.13937	25.2
223.13333	0.5
230.14986	0.6
238.11960	0.6
240.13446	25.3
246.08023	3.6
254.17465	0.9
256.12939	5.6
257.03946	1.1
258.14517	9.5
265.08606	0.7
266.04483	1.6
267.10544	0.5
310.08142	0.6
311.12854	0.6
325.11295	0.9
325.15088	1.0
343.12778	3.5
343.16187	56.8
344.12872	0.6
344.16577	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.7
55.05509	62.8
59.02254	1.9
67.05504	21.8
69.03423	8.3
69.07069	28.2
71.43303	3.5
72.66621	1.9
72.68360	1.9
79.05500	34.9
80.47503	1.7
81.07050	23.2
83.04971	6.3
83.08619	38.3
85.36857	2.0
91.05473	15.5
91.43292	1.8
93.07037	16.0
95.04897	3.3
95.08593	10.4
96.16918	1.9
97.06548	4.8
97.10168	83.0
103.14573	2.0
105.07026	15.3
107.04939	3.1
107.08593	98.1
109.06503	3.6
109.10179	3.9
111.08081	4.8
117.07004	4.1
118.79819	2.0
119.08577	8.9
121.10103	4.4
123.08112	2.4
123.11678	1.8
124.11217	2.4
125.09629	84.0
126.09967	2.8
131.08559	5.0
133.10147	10.9
134.22302	1.9
135.08049	18.1
135.11717	4.0
143.08559	2.2
145.10147	13.3
147.11665	4.8
149.09630	4.4
149.33351	2.1
153.09077	15.3
153.12863	2.0
157.12244	7.2
159.11671	5.0
161.09654	2.9
161.13269	2.2
163.11116	3.6
171.10252	3.0
171.11650	3.1
173.13289	4.4
197.13277	2.1
203.12776	100.0
239.17975	4.1
257.18942	11.1
275.20084	35.9
289.21628	13.7
307.22693	7.4
343.18826	22.6
343.22781	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	342.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41625	1.2
55.05503	8.7
57.03430	3.9
57.07074	14.9
61.02903	2.1
65.03943	1.6
67.05497	1.9
69.03439	7.0
69.07073	2.0
69.77381	9.6
70.06589	10.5
72.08178	1.7
73.02911	1.5
79.05493	4.5
81.03416	3.5
81.07057	7.9
83.08629	5.2
85.02908	15.1
85.06541	4.6
86.06864	1.5
86.09710	4.1
86.27921	1.5
89.06031	35.5
89.10720	1.3
91.05479	1.9
93.07043	4.1
93.77338	1.4
95.04990	2.0
95.08620	1.5
97.02882	4.9
97.06528	1.7
101.09647	17.7
105.07039	3.8
107.07069	35.6
107.08593	4.2
109.02912	2.6
109.10170	2.4
111.08095	6.1
116.07038	1.5
119.04880	2.1
121.02869	2.6
121.10156	2.5
123.11706	2.5
124.07613	1.9
125.09624	2.0
127.03923	2.1
131.04976	1.5
137.05974	2.2
145.04951	2.3
161.06070	1.4
163.07574	1.5
163.13283	100.0
163.65080	1.4
179.03419	2.6
180.10231	2.3
181.04959	1.5
183.15108	1.5
195.11371	1.7
196.15187	1.5
221.95189	1.4
229.15514	2.9
255.06575	1.6
271.06094	1.7
283.06088	7.8
284.06729	3.6
297.07574	37.0
310.20087	4.4
324.21692	2.3
325.07141	10.2
342.06815	3.4
342.14395	2.6
343.08057	29.4
343.11813	1.8
343.17331	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
55.05506	1.5
56.96564	1.1
57.03429	0.9
58.06601	0.5
60.95831	0.4
61.02927	0.9
67.05504	3.4
67.28352	0.4
69.03435	0.6
69.07074	10.8
70.12627	2.0
71.05001	0.7
73.02911	0.5
79.05499	2.3
81.07058	8.6
83.04980	0.6
83.08636	0.8
84.08152	0.9
85.02914	1.1
85.06548	0.7
86.09708	100.0
87.10045	1.0
91.05478	2.5
93.07050	2.1
94.06603	0.5
95.04952	0.9
95.08620	1.7
96.08139	0.5
97.02878	0.6
97.06566	1.0
97.10175	0.5
105.07030	3.9
107.04935	0.6
107.08577	2.1
108.08096	0.6
109.06528	0.9
109.10158	1.2
114.46635	0.4
119.08571	3.3
121.10159	2.3
123.08103	0.4
123.11716	1.7
127.90124	0.4
129.07016	0.7
131.08598	0.7
132.10216	9.6
133.10136	0.6
135.08098	0.5
135.11699	0.5
137.05997	0.7
138.33420	0.3
145.10149	0.5
147.11699	4.8
149.09636	0.8
153.01828	0.7
157.10118	1.0
164.14355	0.7
165.12766	1.4
175.11206	1.0
177.05493	0.6
181.04994	0.4
195.14005	0.4
210.14931	1.5
250.05922	0.4
250.21733	2.2
250.37119	0.4
251.07088	0.4
260.20099	0.4
267.09137	0.6
273.10077	0.4
278.21158	34.5
279.21555	1.7
285.10208	0.4
296.22214	22.7
297.22604	1.5
298.70035	0.5
306.20648	0.4
324.21732	2.2
342.14301	0.9
342.24905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03473	1.9
56.05022	2.2
56.11904	0.9
56.63362	1.0
57.03415	4.0
60.87019	0.9
61.02921	1.1
66.64996	0.9
66.85513	1.0
69.03422	3.5
69.07055	3.0
70.06588	9.1
71.04967	1.1
71.08612	2.1
71.10882	1.3
71.11232	2.4
79.05492	1.4
80.05008	1.6
81.03415	2.0
81.07064	7.4
82.02957	2.5
83.04989	1.6
83.06098	1.9
84.04496	1.7
84.08139	1.8
85.02898	7.3
86.09708	5.1
96.04505	1.1
96.08131	2.0
96.24371	1.0
97.02881	2.7
97.07642	2.2
99.05605	5.8
99.08103	10.5
104.12433	1.0
108.04453	1.9
109.06506	10.0
111.05552	25.2
116.98637	1.0
117.09125	47.3
117.52943	1.0
122.09663	3.2
123.04416	2.8
124.04745	1.4
125.07114	14.0
126.05517	6.4
127.04079	1.6
127.05020	3.3
127.07552	21.5
133.02831	2.1
134.03160	2.0
137.05988	3.0
138.05525	1.3
139.05013	37.8
139.12274	3.2
140.17175	1.1
150.09134	7.7
151.03854	2.7
152.10765	1.9
153.06569	3.0
163.03850	1.3
163.09647	13.1
164.50549	1.1
167.11794	15.9
171.42918	1.1
179.03365	9.6
180.03720	14.9
195.11282	100.0
196.11565	1.8
197.81612	1.1
223.10811	5.0
278.14966	2.0
283.69138	1.7
296.16083	2.5
315.14484	1.3
324.11963	2.0
324.15546	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.0
56.96561	9.0
57.03413	9.5
65.62543	3.5
67.05490	4.2
69.03423	8.6
69.38292	3.5
70.06603	6.2
71.08628	7.8
71.58798	5.2
72.08141	4.8
79.05486	8.8
81.03407	7.1
81.06306	3.6
81.07038	13.1
84.04507	6.0
85.02901	27.5
97.02876	10.5
98.97597	5.0
99.08094	22.0
107.04944	4.5
109.06513	24.2
112.59538	4.1
113.72424	4.0
117.09125	100.0
123.04427	6.1
127.07551	44.0
132.60007	3.5
133.02876	5.2
134.99619	4.2
135.04391	8.6
137.05962	10.4
139.03894	9.3
145.02802	5.3
145.04984	6.8
151.03912	4.1
163.03911	66.2
163.09657	24.4
179.03416	6.3
180.03770	7.6
180.06554	9.3
180.08684	4.6
181.04930	4.8
232.35829	4.4
239.08504	5.9
326.10342	4.1
342.11938	4.3
343.13644	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	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81977	1.6
56.05023	1.6
56.96544	1.9
57.03441	10.8
57.07075	61.5
59.04972	2.1
61.39310	1.6
67.05496	9.7
69.03415	7.3
69.59716	13.2
70.06582	6.4
71.04961	2.8
72.08144	3.4
81.03448	2.2
81.07053	4.1
84.04490	2.9
84.08130	3.0
85.02897	13.9
85.06546	34.6
86.09699	7.6
91.05479	3.3
93.07049	3.3
95.04966	18.5
95.08566	2.5
97.02880	5.4
98.97557	2.3
99.08096	4.2
101.06010	4.0
103.07581	100.0
103.20589	1.8
105.07068	1.8
107.04967	1.9
113.05989	3.6
121.06496	1.8
121.10114	2.0
123.04424	1.8
127.03924	2.4
127.07557	67.8
131.07056	2.2
135.53526	1.7
137.05968	6.0
139.03899	2.4
145.04913	2.5
145.08617	15.2
147.04393	3.2
148.04716	3.3
149.42239	1.8
158.35857	2.1
163.03825	2.8
163.09653	62.9
175.07367	1.8
177.05424	2.3
179.03368	7.7
180.03741	6.0
180.06519	2.8
180.10114	2.6
181.04947	6.0
188.07744	2.3
223.06006	1.7
292.10300	2.3
342.13873	1.9
343.13712	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17089	0.5
54.03471	0.7
54.03926	0.5
55.01855	0.9
55.05501	0.6
56.05034	3.7
56.96561	0.7
57.03418	0.5
61.02919	0.6
67.05487	1.8
68.05022	0.8
69.03410	1.3
69.07062	3.9
69.34524	3.8
69.34933	1.2
70.06580	4.3
72.08137	1.4
74.06066	0.9
79.05487	1.1
80.05002	1.7
81.07044	2.8
82.02949	2.8
83.04961	0.7
83.06097	2.2
84.04491	2.3
84.08124	1.1
85.02893	1.5
86.09704	6.0
90.25964	0.5
91.05472	2.0
94.02930	1.0
95.04993	0.7
95.08593	1.1
96.04475	1.4
96.08126	1.1
97.02872	0.9
97.07646	2.4
98.20686	1.1
98.97530	0.8
99.05567	7.5
99.08057	0.9
100.03997	0.7
102.05534	2.7
105.07001	0.8
108.02112	0.5
108.04465	1.4
109.02825	0.9
110.06058	0.8
110.07188	0.8
111.05560	23.0
116.01662	1.7
116.07085	1.0
118.66550	0.6
119.04877	0.9
120.06586	0.6
120.08107	0.6
121.10155	0.5
122.09660	4.9
124.07606	0.8
125.07104	12.3
126.05496	6.1
126.07397	0.6
127.04099	0.6
127.04990	3.9
129.10196	0.8
135.04379	0.5
135.05507	0.5
137.05984	1.6
138.05438	0.8
139.05019	40.4
139.12318	2.8
140.05421	0.7
142.03191	2.1
143.05652	0.6
144.01126	0.7
147.04384	2.4
147.11603	0.5
147.32457	0.6
148.04771	0.5
149.01227	0.6
150.09143	7.4
152.10675	2.3
153.06583	3.9
162.02229	1.8
163.03906	1.0
167.11795	19.8
168.10207	1.5
170.02675	0.9
177.10210	0.6
180.07367	0.7
180.10265	0.8
181.04959	1.5
181.09787	0.6
195.11285	100.0
196.09856	1.0
196.11618	3.0
223.07138	1.1
223.10788	5.4
239.08830	0.6
258.14529	0.6
261.09891	0.8
278.15012	1.1
279.13379	1.7
296.09305	0.6
296.16055	1.5
324.11966	1.0
324.15494	22.7
325.15817	0.8
342.19000	1.5
343.13754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
56.05052	0.8
56.42730	0.7
56.96557	1.7
63.66756	0.9
66.42657	0.7
67.05475	0.8
69.03419	2.8
70.06589	3.9
70.24228	1.8
70.24627	1.9
73.02906	0.9
81.03442	1.3
81.07066	0.8
84.04496	2.3
84.08136	2.3
85.02902	5.0
86.09667	0.8
87.77052	0.7
97.02908	2.1
98.06055	4.4
98.21467	0.8
98.97591	1.5
99.04470	1.0
109.02855	1.5
110.97573	0.8
111.04487	1.2
116.98611	1.9
117.09145	1.3
122.06050	1.1
123.04440	1.9
127.03954	1.3
134.99638	1.4
135.04446	0.9
136.07445	0.9
140.07056	11.5
143.03157	2.1
145.04974	1.6
146.99666	1.4
147.04373	0.8
162.05290	3.5
162.49579	0.7
163.03886	4.3
171.35533	0.9
180.03824	1.1
180.06360	15.9
180.10115	0.8
185.04230	4.6
199.99883	1.1
203.05278	17.8
219.01759	1.7
237.02861	2.8
240.06828	0.8
252.05820	2.2
253.81184	0.8
280.04047	0.7
309.55273	0.9
324.10666	4.1
342.11621	100.0
343.11969	2.6
359.06393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.05509	18.0
57.03434	9.5
57.07074	38.3
59.04982	3.0
67.05505	35.3
69.07073	24.4
71.04996	19.0
71.08629	19.6
79.05485	22.1
81.07058	100.0
82.07388	2.6
83.04955	2.4
83.08621	16.9
85.06557	6.3
85.10172	15.5
89.05964	3.7
91.05489	16.4
91.84048	2.4
92.80439	2.4
93.06470	3.9
93.07046	66.7
95.04967	6.1
95.08611	85.5
97.10170	12.2
105.07034	45.1
105.35657	2.7
107.08600	57.4
109.06521	18.3
109.10159	45.3
111.08074	12.0
111.11697	5.2
113.09681	3.0
117.07005	8.1
118.61996	2.6
119.08586	85.8
121.10147	55.2
123.08082	4.5
123.11683	26.2
125.09627	4.5
130.07719	2.6
131.08557	16.6
133.10129	29.5
135.11690	28.3
137.09608	8.0
137.13271	8.5
139.11174	4.6
143.08527	6.4
145.10135	30.2
146.04944	2.4
147.11705	25.7
149.09575	3.3
149.13261	36.5
151.11205	5.8
151.14723	2.9
157.10095	15.3
159.11699	44.3
161.13261	25.1
163.11247	3.0
163.14825	26.8
167.08618	2.5
169.10065	4.5
171.11693	10.6
173.13275	33.3
175.14848	16.7
177.12775	6.3
177.16403	4.8
185.13268	8.7
187.14850	31.8
189.16365	17.4
191.17928	20.1
197.13245	5.6
199.14824	13.3
201.16365	12.8
203.17938	7.0
205.15895	2.7
211.14862	3.9
213.16385	19.2
215.17937	12.0
217.15829	4.7
217.19479	2.9
225.16299	5.7
227.09497	2.6
227.17944	19.2
229.19543	10.1
239.18005	3.1
241.19595	4.8
243.21249	2.7
253.19496	6.6
255.20978	3.1
257.22696	9.5
267.21048	11.2
271.24091	4.3
281.22504	5.9
283.24210	60.9
297.25632	2.5
323.27350	61.1
341.28210	51.9
341.30585	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01872	5.1
55.05511	24.0
56.96578	3.5
57.03426	8.0
57.07066	8.4
59.04990	6.0
61.02920	2.8
65.03934	3.0
66.08813	2.4
67.05504	32.3
69.03424	22.7
69.07067	61.6
70.06587	3.7
70.07417	2.4
71.04981	6.9
71.08635	3.0
79.05493	24.1
81.03426	3.8
81.07057	100.0
82.04498	2.0
82.34870	2.1
83.04969	7.9
83.08614	14.9
85.02905	3.5
85.06541	19.9
86.09716	2.9
89.03918	7.4
90.04231	2.6
91.05473	31.9
93.06465	4.7
93.07046	73.2
95.04971	24.2
95.08603	71.2
97.02891	5.1
97.06525	10.0
97.10178	6.1
99.08073	7.1
100.11239	9.9
103.05457	9.9
105.04545	2.6
105.07029	38.6
107.04947	8.4
107.08598	36.3
109.02890	6.0
109.06506	10.4
109.10155	38.0
111.04445	3.9
111.08082	22.9
111.11706	9.1
114.09195	5.0
117.03371	21.6
117.07021	3.7
118.03708	9.7
119.03960	3.3
119.04919	4.9
119.08574	24.9
121.06513	5.1
121.10146	41.1
122.03651	7.0
123.04458	4.4
123.08099	5.2
123.11707	39.6
125.09617	10.9
127.03927	6.1
128.06242	5.4
129.07039	13.7
131.04898	12.4
131.08577	11.2
132.05623	3.3
133.02824	3.9
133.06480	6.9
133.10127	26.7
135.04408	2.8
135.11685	17.9
137.02264	3.2
137.05974	99.4
137.09608	5.5
137.13252	7.3
138.06332	4.9
139.11168	14.9
142.08604	4.3
143.05731	3.1
143.08554	3.5
144.05739	3.1
145.02844	49.1
145.06534	2.4
145.10136	8.2
146.03151	16.3
147.03372	23.8
147.04459	6.6
147.07976	3.1
147.11679	19.7
149.06001	6.9
149.09596	4.4
149.13226	15.0
150.06396	4.1
151.03865	7.8
151.07516	4.7
151.11188	9.0
153.05463	3.3
153.12766	5.7
155.10707	3.3
157.06432	4.0
157.10117	4.5
159.08040	9.2
159.11678	10.7
160.05051	3.3
161.05963	17.9
161.09650	4.7
161.13274	7.7
162.06747	4.2
163.03957	4.0
163.07533	9.4
163.11185	4.9
163.14833	4.9
165.05505	4.1
165.12794	7.0
167.07054	15.4
167.10663	6.3
169.06606	2.4
172.05096	2.5
173.09763	2.2
173.13255	5.6
175.07556	22.6
175.11131	3.2
175.14810	7.2
177.05479	79.5
177.12628	3.6
177.16409	3.2
178.05812	48.6
178.07480	3.5
179.03476	4.5
179.05881	48.8
179.07372	3.5
179.14299	2.6
181.06554	3.2
182.15460	3.7
187.03900	3.7
187.07533	23.8
187.14851	3.5
188.07924	3.2
189.06926	2.8
189.09099	9.0
191.07008	3.3
191.08492	5.6
195.13750	3.6
196.13322	3.7
199.07529	2.7
199.14746	3.2
201.16380	2.7
202.07727	4.7
203.08516	9.0
205.06532	4.3
206.07198	7.2
207.07991	3.5
210.14969	3.1
213.05466	3.3
213.16469	2.7
217.08586	10.0
218.07239	4.4
219.08093	8.7
220.08719	4.2
221.09631	4.9
223.07556	4.0
231.08072	6.0
234.06758	6.5
235.07460	2.7
237.09087	3.0
238.09630	4.0
239.07320	3.0
240.07771	3.2
242.13474	2.8
244.15448	4.0
247.07564	8.0
247.20609	2.5
248.08376	7.9
249.09111	10.8
250.06451	2.9
251.07054	5.6
251.10693	4.4
253.08649	2.9
260.08054	2.5
260.14499	3.0
262.06354	3.2
263.07224	2.3
263.10626	7.9
265.08624	6.5
266.09378	5.6
275.23627	3.7
276.07983	4.2
277.08557	8.6
279.10156	8.4
280.10751	5.1
281.11743	16.1
287.23795	4.7
291.10156	15.0
293.08203	3.6
293.24716	4.2
294.08853	2.5
295.09830	4.1
297.11041	3.8
305.24704	16.6
309.07730	4.3
309.11176	29.8
310.11703	5.6
311.12665	4.9
313.14169	2.9
323.09412	4.4
323.12778	9.8
323.25861	12.3
326.11432	2.6
341.06458	4.7
341.10327	10.1
341.13940	50.2
341.20670	3.6
342.14276	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	341.1383
Annotation	5-Prenylbutein
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	3.1
55.05507	2.7
56.96552	2.0
57.07061	1.5
65.03902	1.3
67.05508	5.8
67.58852	1.0
68.99785	2.4
69.03430	2.2
69.06728	1.8
69.07066	20.6
71.05003	1.1
79.05484	4.4
81.03422	5.8
81.07051	4.8
83.04958	1.1
83.08623	1.7
85.02892	2.2
85.63193	1.0
87.11772	0.9
91.05474	12.0
93.07030	4.1
95.04967	4.9
95.08588	3.7
96.82564	0.9
97.02883	2.7
97.06516	2.2
99.08050	1.1
105.07027	4.3
107.04935	3.3
107.08582	2.2
109.02894	1.4
111.04415	2.3
111.08054	1.4
117.07018	1.8
119.04119	1.5
119.04942	21.4
119.08546	2.9
121.06490	1.3
121.10131	2.3
123.04433	14.6
124.23014	1.2
127.03914	1.2
128.06239	1.3
129.07025	2.4
131.08553	2.4
133.10097	2.2
135.04395	3.3
137.02336	100.0
138.02647	1.9
141.06995	2.5
143.08540	1.9
145.10106	2.3
147.04399	24.9
147.11650	1.2
149.02306	1.4
149.06000	1.7
149.09627	1.5
153.06918	1.2
155.03453	1.1
155.08553	2.5
157.10089	1.1
159.11678	1.8
161.06001	1.5
163.03888	21.6
165.06999	5.2
167.08549	1.9
169.06567	2.9
169.10158	1.1
171.08051	2.0
173.05963	10.7
175.03905	18.9
175.07555	3.0
181.06500	1.3
181.12236	2.2
183.08037	3.2
185.09666	1.3
187.07561	3.2
189.05501	2.1
189.09132	2.5
193.04971	12.6
193.06529	1.9
193.08595	1.1
195.08080	3.5
195.13800	1.3
197.05954	4.6
198.06741	1.1
199.07521	1.5
201.05458	18.0
201.09125	1.0
211.07498	8.3
213.05537	1.8
213.09062	4.0
214.06400	1.1
215.07019	13.4
221.05971	4.1
229.08583	3.5
231.10197	15.4
237.05414	1.4
239.07076	11.2
239.09387	1.7
241.08543	2.0
243.06535	35.1
249.05489	3.6
257.08078	5.6
257.10449	1.5
264.20932	1.2
267.06546	24.1
267.09296	0.9
269.10617	4.0
273.07574	8.7
285.07556	48.9
286.08102	1.4
287.11639	2.9
303.08572	3.5
305.11545	1.1
323.12762	18.2
341.13806	62.1
341.24890	1.4
342.13855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1386
Annotation	Licoflavanone
Peak:m/z	Relative Intensity
53.03961	0.5
55.01883	2.8
55.05500	1.3
56.81238	0.4
56.96565	1.5
61.19576	0.4
61.40654	0.4
67.01865	2.2
67.05497	1.8
68.99799	3.2
69.03420	1.8
69.07071	12.4
70.73878	1.6
71.01347	0.5
72.04553	0.4
79.05473	1.7
81.03413	1.0
81.07055	2.5
83.04993	0.5
83.08607	0.7
91.05489	1.6
93.07033	2.2
95.04985	1.7
95.08582	1.3
97.02890	1.7
98.97577	0.4
103.05446	4.5
105.07062	2.7
107.04957	1.6
107.08596	1.1
109.06512	0.7
109.10156	0.6
111.00789	1.0
117.07055	1.2
119.04958	1.5
119.08585	1.0
119.79813	0.5
121.02882	0.4
121.06562	0.5
121.10155	1.0
123.04428	0.9
123.11757	0.5
125.02363	1.5
129.07016	1.2
131.04936	7.7
131.08568	1.1
133.06491	5.5
133.10147	0.7
135.04414	0.8
136.24112	0.4
137.02434	0.4
137.05952	0.7
139.03911	1.8
141.06978	1.1
145.06503	4.4
145.10056	0.9
147.04401	4.4
147.11678	0.5
149.02359	0.5
149.09616	0.5
151.03903	0.6
153.01837	100.0
154.02147	0.7
155.08566	0.6
157.06514	2.5
157.10205	0.8
159.04413	7.7
159.08147	1.1
159.11726	0.9
161.05998	1.6
161.09627	0.5
163.03812	0.6
163.11227	0.5
165.01825	0.6
165.07004	2.0
166.02675	0.5
167.08505	0.7
169.06488	3.5
169.10074	0.7
171.02893	9.9
171.08072	1.4
173.05995	10.7
173.09628	1.4
177.05464	4.8
177.06870	0.5
179.03423	5.5
179.08574	1.2
181.06506	1.8
183.02959	1.4
183.08182	0.6
183.11795	0.5
187.07623	2.2
189.12694	2.3
193.06512	1.2
196.95201	0.4
197.06010	5.6
197.09639	1.7
199.07599	3.1
200.47827	0.5
201.05452	2.3
211.07619	1.3
215.07083	5.5
215.10632	5.1
221.05978	8.2
222.06656	0.6
225.05556	2.5
228.64738	0.5
239.07130	2.1
243.06601	2.0
249.05534	1.9
267.06534	44.5
268.06882	1.1
269.10654	1.8
273.07578	2.7
285.07593	19.7
287.11688	1.1
299.09070	0.9
341.13870	27.1
341.20804	0.8
341.25027	0.8
342.14182	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Kanzonol A
Peak:m/z	Relative Intensity
53.03947	1.3
53.11741	0.6
55.01869	1.8
55.05517	0.9
56.96551	1.8
57.03423	0.7
57.07091	0.8
59.87191	0.6
61.02914	1.1
65.03933	1.4
67.05495	2.5
68.99781	2.4
69.03435	0.9
69.07066	1.5
73.02903	0.9
79.05490	1.5
79.58904	0.5
81.03423	7.8
81.07033	3.4
85.02885	1.2
91.05466	2.6
93.07052	1.1
95.04967	2.6
95.08604	1.4
96.02071	0.9
97.02905	1.1
99.04453	0.6
105.07037	1.8
107.04977	3.9
107.08633	0.8
109.02905	0.8
109.06483	0.8
109.10160	1.2
111.04446	2.4
115.05452	1.1
116.98611	0.7
117.06978	1.1
119.04951	2.4
119.08586	0.9
123.03571	1.2
123.04429	17.4
127.03913	1.5
128.06229	2.1
129.06992	2.2
131.08591	1.7
133.06490	1.1
133.10085	1.0
135.04402	2.4
137.02338	100.0
137.05949	2.8
139.03937	2.9
141.07018	0.9
142.07751	1.7
143.04877	0.9
143.08562	1.3
144.05731	1.2
145.02870	0.8
145.06549	1.3
145.10110	0.8
147.04411	6.2
149.06044	0.9
152.06218	2.5
155.03387	4.4
157.06517	2.2
157.10178	2.0
159.08049	2.6
161.05893	1.2
161.09650	1.9
163.03899	17.2
165.05588	0.7
165.07011	1.5
166.07866	0.8
167.08554	4.9
169.06372	1.0
170.07291	2.0
171.04419	1.3
171.08051	12.3
177.05505	1.3
178.05873	0.8
181.06483	2.3
183.08063	1.8
185.05981	1.6
185.09662	4.4
187.07538	1.5
187.11183	1.6
195.08049	26.7
196.08792	1.2
197.05977	1.5
198.06757	2.7
199.07623	1.0
213.09120	17.7
219.08150	0.8
221.09502	1.0
248.08264	0.7
263.07013	0.8
263.10635	0.7
267.06741	0.7
267.09644	0.6
269.10397	1.3
269.12762	0.8
269.17542	0.8
271.07578	0.7
277.08411	0.9
277.12216	1.3
281.08154	1.3
281.11685	1.3
287.10834	1.6
289.08582	1.1
290.09415	1.0
305.11713	8.5
308.10492	2.0
323.12769	57.0
324.13138	1.4
340.65536	0.8
341.13885	2.5
341.24725	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Obovaten
Peak:m/z	Relative Intensity
55.01860	4.2
55.05501	1.6
57.03420	1.5
57.07048	1.3
65.03928	1.4
67.05506	3.6
69.03422	4.3
69.07056	3.3
69.45996	1.8
69.46402	8.3
70.06590	1.4
71.04989	2.2
77.03941	1.3
78.04703	1.8
79.05492	14.4
81.03414	1.4
81.07057	7.2
83.08598	1.2
85.02876	1.1
85.06535	2.8
86.09696	1.9
91.05473	10.7
93.07028	4.2
95.04969	7.8
95.08601	4.3
97.02825	1.7
98.20671	2.2
99.08041	1.6
103.05454	3.4
104.18092	1.1
105.03371	1.5
105.04507	1.2
105.07024	19.8
106.04149	1.6
107.04954	37.4
107.08556	2.5
109.02871	1.2
109.06522	2.8
109.10161	3.2
111.04475	1.7
111.08106	1.2
115.05443	7.1
116.06224	3.6
117.03375	3.0
117.07001	2.7
119.04913	1.7
119.08537	2.5
121.06518	3.1
121.10123	2.9
122.03675	1.8
123.04421	7.1
123.11730	2.1
124.05219	4.7
125.06000	3.2
127.03987	2.5
127.05421	1.4
128.06219	11.9
129.07004	56.4
131.04916	5.3
131.08577	4.3
133.02789	1.6
133.06480	11.5
133.10103	2.4
134.03638	1.3
135.04376	2.1
135.11647	1.3
137.04994	2.1
137.05971	25.0
137.09709	1.1
138.30019	1.2
139.11206	1.2
140.27011	1.3
141.07094	1.5
144.05692	9.4
145.02846	3.3
145.06482	7.3
146.03197	2.5
146.07227	1.6
147.03375	2.0
147.04430	3.3
147.08054	1.8
147.11615	1.2
149.05968	1.9
149.13264	1.6
151.03891	2.0
152.04710	3.9
153.05472	6.8
155.04919	11.7
155.06004	2.0
155.07045	1.5
155.66258	1.2
156.05714	3.9
157.06477	2.4
158.07233	1.4
159.08046	30.0
161.05977	26.5
161.09624	4.5
163.07607	1.7
165.05548	1.4
165.06976	2.5
167.07043	70.1
171.04362	1.3
172.05171	6.1
173.05960	1.7
175.07538	5.7
177.05518	6.9
177.06857	1.6
178.05830	4.2
178.07787	13.8
179.05829	3.4
179.07048	5.7
179.08549	3.9
181.06465	2.2
181.08531	1.5
186.06693	1.5
187.07541	100.0
189.07008	8.4
189.09120	3.2
190.07773	4.5
191.07048	1.7
191.08560	8.0
192.09303	1.9
193.10138	5.5
195.08093	5.1
202.07764	14.2
203.08580	13.9
205.06442	12.7
206.07269	20.2
207.08052	5.2
217.06496	5.0
217.08398	1.9
218.07205	6.7
219.08025	14.8
220.08742	6.4
221.06007	1.6
221.09613	30.3
223.07500	9.1
231.08034	11.9
233.06003	5.9
234.06744	24.1
235.05833	1.1
235.07590	12.0
236.08339	1.9
237.09061	5.7
238.09964	1.7
245.05934	5.3
247.07555	7.5
248.08315	9.3
249.09111	42.7
250.06435	2.0
250.09833	5.5
251.07043	21.6
251.09686	1.7
251.10739	1.2
252.07858	2.0
253.08481	1.2
253.12286	1.7
259.07550	1.7
262.06219	6.1
263.07111	6.1
263.10675	3.9
264.07895	1.7
265.08643	10.3
266.09402	12.4
267.10025	2.3
268.07217	2.1
276.07767	4.5
277.08606	26.3
278.06073	1.5
278.09390	4.8
279.06503	8.6
279.09811	2.5
280.07324	1.3
280.10907	3.0
281.11713	82.5
282.12064	1.5
283.09833	2.1
291.10211	4.8
293.08029	3.8
294.08844	13.5
295.09729	8.1
296.10269	1.1
305.24786	1.3
309.11200	93.9
310.11905	11.4
311.09201	10.2
311.12521	2.2
313.10855	1.1
313.14429	2.6
323.12601	2.0
325.10767	1.6
326.11475	9.7
341.13855	79.0
342.14328	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01882	0.6
55.06619	0.6
56.05010	0.9
56.96563	1.5
57.03444	5.1
57.27718	0.6
61.02928	3.7
67.05490	0.7
69.03428	12.8
71.01331	2.1
71.04972	2.7
71.28094	0.9
73.02901	2.4
81.03413	1.5
85.02887	2.4
97.02879	2.0
98.97548	1.7
99.04459	3.2
106.06556	1.2
107.04937	1.1
110.05988	0.8
116.04970	1.5
118.05273	1.7
118.06503	0.9
123.04417	2.9
127.03931	0.7
131.06021	0.7
133.02838	2.4
133.07619	18.2
134.06039	1.0
135.04433	1.5
143.06020	0.7
145.04933	0.7
145.07607	27.0
146.08411	0.9
147.09164	1.1
149.02332	0.9
151.03891	1.2
157.07654	0.9
161.07140	1.3
163.04051	3.6
163.08669	76.1
164.04257	0.7
164.09007	1.2
175.08696	1.6
177.06625	1.4
179.03398	25.5
180.06528	0.6
183.09161	1.3
184.04947	1.4
187.95908	0.6
188.09445	1.4
189.06631	2.9
189.10318	0.8
201.10204	1.1
203.08139	1.4
207.07651	100.0
208.07950	1.5
218.10526	1.3
219.01764	1.0
235.14688	0.7
237.02887	2.5
251.14021	1.1
279.13409	12.7
291.38263	0.7
297.14462	53.4
323.12369	7.3
341.13437	83.5
342.14056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.138
Annotation	Kanzonol A
Peak:m/z	Relative Intensity
53.03932	1.3
55.01857	1.3
55.05499	1.3
56.96560	2.5
57.03427	1.5
58.04100	0.8
58.39573	0.7
61.02914	2.3
63.38165	0.7
65.03923	1.3
67.05486	3.2
67.44764	0.8
68.99785	1.7
69.03437	1.8
69.07071	0.8
70.27710	3.5
73.02907	0.8
73.60291	0.7
79.05484	2.7
81.03411	8.2
81.07049	2.8
85.02895	2.0
89.48576	0.8
91.03950	0.9
91.05463	2.7
93.07034	2.6
95.04968	1.6
95.08586	2.3
97.02877	2.4
97.10168	0.9
98.97588	1.2
103.05457	1.5
105.07016	1.9
107.04948	2.8
107.08594	1.9
109.02901	1.1
109.10179	0.9
111.04433	2.6
115.05466	3.4
117.07011	1.7
119.04932	1.5
119.08592	1.3
123.04420	2.8
123.31638	0.8
125.54894	0.7
127.03912	1.8
129.07004	1.0
131.04889	3.9
131.08577	1.3
133.10039	1.2
135.04387	3.7
137.02338	100.0
143.04932	8.0
143.08553	1.9
145.06456	1.5
145.10164	1.2
147.04413	1.5
147.11723	1.0
155.03392	18.6
155.08510	1.2
157.06450	1.6
157.10138	1.0
159.04440	2.4
159.08101	0.9
161.05986	1.1
163.03900	17.4
165.06992	1.6
167.07301	0.9
167.08601	2.9
169.06528	1.0
170.07291	1.0
171.04408	32.8
171.08060	2.9
173.05983	1.6
177.05437	1.5
181.06499	1.1
183.08028	0.9
185.06035	0.9
185.09607	2.5
187.11188	5.8
189.09169	1.1
195.08072	6.4
197.05946	1.6
198.06709	4.1
199.07539	2.8
207.08063	1.2
213.09131	30.5
223.07597	2.0
226.06271	0.8
227.07050	4.2
230.80119	0.9
231.10272	1.0
235.07593	1.4
247.08588	0.8
251.07011	2.8
263.07037	1.2
266.05826	1.2
269.08075	1.9
269.10217	1.0
269.12448	2.6
277.12253	1.3
281.08115	11.3
281.11365	1.1
287.11679	1.6
305.11685	5.7
308.10294	0.9
309.10962	1.0
314.87833	1.0
319.76807	1.0
323.12769	68.2
324.13235	1.2
331.65054	0.8
341.13824	49.9
341.24756	1.5
342.14151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05519	7.3
56.96549	2.1
57.03442	1.5
57.07068	2.0
62.06091	100.0
62.90913	1.1
67.05508	17.5
69.03435	1.5
69.07059	13.3
69.62502	7.2
69.62913	2.5
71.08633	2.5
78.38508	1.1
79.05492	10.4
81.03426	1.3
81.07067	14.0
82.06582	1.3
83.04959	1.3
83.08616	4.2
91.05481	3.9
93.07050	7.4
95.04945	1.4
95.08624	11.4
97.06522	1.9
97.10171	3.1
98.20744	1.7
105.07047	3.3
107.08607	7.6
109.06530	1.0
109.10187	7.1
109.10818	1.2
111.08132	1.5
117.06973	1.3
119.08578	1.6
121.10151	3.2
123.11693	1.8
124.11246	3.9
131.08531	1.8
133.10149	1.3
135.11681	4.1
147.11609	1.7
153.12714	1.6
159.11684	1.5
168.13879	1.3
170.11835	1.4
173.11665	1.1
177.05524	1.3
196.13322	13.3
214.14384	14.6
261.22000	2.1
279.23221	4.4
317.19092	1.3
322.27408	37.8
323.25674	7.9
335.20602	1.8
340.28412	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	340.2846
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
52.22150	0.8
55.05511	13.7
56.05030	1.4
57.03432	0.9
57.07080	5.8
60.04529	32.8
67.05502	11.4
67.67764	0.7
69.07072	24.1
69.43786	7.4
71.04998	1.5
71.08610	2.9
74.99847	0.7
79.05486	3.2
81.07063	16.1
82.07374	0.8
83.04977	0.9
83.08622	15.5
91.05498	3.9
93.07039	3.2
95.08606	13.1
96.08912	1.2
97.06522	1.9
97.10168	9.4
98.20753	1.3
105.07045	4.3
107.08589	4.1
109.06512	1.3
109.10152	9.5
111.08083	1.0
111.11730	3.8
119.08585	5.8
121.10141	2.8
123.08054	1.2
123.11694	4.1
128.14359	2.0
133.10129	3.3
135.11682	1.7
137.09612	3.2
137.13245	1.2
142.15918	11.7
147.11682	2.5
148.31206	0.9
149.13187	1.2
151.11166	1.1
154.12254	4.5
161.13268	3.1
163.14784	0.9
172.13326	3.5
175.14848	1.2
184.16988	1.4
210.01250	0.9
233.08971	0.9
245.22754	3.9
263.23740	5.1
280.26324	12.9
298.27432	11.6
322.27393	3.4
340.28488	100.0
341.28769	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	341.1021
Annotation	Virgatyne
Peak:m/z	Relative Intensity
53.03932	1.4
55.01869	1.0
55.05511	3.9
65.03952	5.2
67.05490	2.8
69.03420	3.3
69.07058	3.4
69.40933	7.5
71.04990	1.2
77.18032	0.9
79.05495	3.3
81.03412	1.4
81.07047	5.3
83.05002	1.3
83.08611	2.1
85.06549	1.9
86.09682	1.1
89.03926	0.8
91.05479	100.0
92.05818	1.9
93.03407	3.0
93.07045	2.6
95.04974	2.7
95.08625	4.1
96.04609	0.8
97.06509	1.3
100.11259	5.7
101.11609	1.3
103.05457	2.7
105.03412	0.8
105.07020	3.6
107.04932	3.4
107.08595	2.6
109.06558	1.5
109.10114	2.5
111.08084	1.0
115.05471	2.6
117.03374	2.3
118.03691	1.5
119.04926	2.2
119.08572	2.6
121.06528	1.4
121.10116	1.8
122.03651	1.8
123.11678	1.9
125.09645	1.4
128.06229	2.0
129.07004	3.9
131.04936	3.0
131.08565	1.2
133.02899	1.1
133.06494	1.6
133.10114	2.1
135.11707	1.7
137.05977	23.3
143.08545	1.3
145.02850	4.5
145.06473	1.0
146.03253	3.3
147.03384	2.0
147.04417	1.9
149.05927	2.0
149.13284	1.0
151.03929	1.3
151.11125	1.1
155.04930	0.8
157.06526	0.9
159.04417	2.0
159.08054	1.7
161.05994	3.6
161.09648	1.0
162.06660	1.1
163.07451	1.0
165.06874	1.2
167.03461	1.7
167.07025	4.1
167.08377	1.1
172.05162	0.9
174.06709	0.9
175.07578	4.3
177.05469	8.1
178.05783	5.7
178.07829	1.3
179.03429	1.9
179.05872	7.2
179.08481	0.9
181.10120	1.0
182.15474	1.7
183.15747	0.9
187.03909	3.5
187.07539	10.2
189.06946	1.1
189.09067	2.4
191.08557	1.8
195.07944	1.0
199.07593	1.0
202.07846	2.0
203.03275	1.2
203.08551	1.7
204.04135	1.1
205.04893	0.9
206.07346	2.0
207.08087	1.1
208.08876	0.9
209.16595	0.9
210.14844	2.5
211.07550	1.1
215.03531	0.8
217.08615	3.1
219.08057	4.4
220.08791	1.8
221.06049	1.5
221.09689	1.1
223.07471	1.3
227.17467	1.8
227.67723	1.3
229.60101	0.9
231.08018	2.3
233.04320	6.1
234.06761	2.3
235.07576	3.1
237.09077	1.9
238.09657	1.4
239.07089	1.8
240.07809	0.8
247.07544	2.3
248.08241	2.0
249.05461	1.0
249.09157	3.0
250.06326	1.0
251.07072	3.1
251.10695	1.4
257.08105	1.9
259.07651	0.9
261.08997	0.8
263.05557	3.1
263.10696	2.4
264.07922	1.2
265.08560	5.4
266.09326	1.8
266.75159	0.8
267.06528	1.2
271.09592	1.5
276.07721	1.0
277.08591	3.0
277.23145	1.2
279.10150	2.4
281.08438	1.9
281.11731	3.6
291.10248	3.6
293.08084	11.2
295.09848	1.1
297.11401	0.9
305.07974	1.4
309.11182	9.1
310.11896	1.1
311.12506	1.9
312.05630	1.0
313.10791	0.8
323.09109	14.3
323.12766	4.1
341.10190	22.4
341.13980	12.7
342.10532	1.1
344.31168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.9836
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16218	6.8
70.16511	2.1
91.47475	1.3
94.93022	12.2
104.10786	2.7
105.37752	1.5
112.89596	6.9
114.89344	14.9
116.89117	3.2
119.92518	4.4
149.93524	1.9
173.97209	16.4
205.96164	2.1
217.96147	15.1
219.94107	7.6
221.95662	2.4
249.90474	1.4
249.95184	9.0
261.95148	100.0
263.92642	2.5
279.96204	72.0
280.96524	2.2
281.05304	1.4
298.94781	3.2
339.98337	43.1
340.02408	2.6
342.17111	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47205	0.8
53.03931	1.1
55.01858	3.7
55.05500	2.7
61.02920	2.0
62.16642	0.9
67.05492	4.7
69.03432	9.8
69.07074	10.8
70.03769	3.2
70.06578	1.1
70.09296	4.0
71.04993	11.6
79.05495	13.3
81.03412	1.7
81.07032	4.9
83.04978	3.8
85.06545	7.8
86.09707	100.0
89.03909	5.1
90.04251	3.0
91.05493	12.0
92.49422	0.9
93.07039	12.9
95.04971	4.7
95.08608	2.9
97.02886	3.6
97.06517	1.3
99.08105	1.4
100.11235	2.9
103.05465	1.5
105.07037	16.1
107.04954	5.4
107.08599	18.3
109.02869	1.1
109.06500	3.2
111.04441	5.6
117.03387	11.7
117.07055	5.6
118.03706	11.3
119.04885	1.8
119.08571	9.7
121.06505	5.0
121.10142	8.9
123.04422	1.2
123.08084	1.8
125.05975	1.2
127.03895	4.1
128.04237	1.4
128.10678	3.3
128.17477	1.0
129.07007	5.7
130.07852	1.1
131.04939	1.3
131.08568	21.2
132.10207	26.5
134.03644	0.9
135.04477	5.5
135.08052	2.2
135.11662	1.6
137.05986	6.1
137.09619	4.6
143.08527	1.4
145.02840	30.6
145.06439	1.6
145.10130	13.3
146.03180	35.0
147.03342	1.3
147.04434	2.2
147.08051	6.3
147.11714	2.4
149.06010	5.9
149.08415	2.0
149.09619	40.2
150.06316	4.2
151.07547	1.4
153.05429	1.1
159.08031	1.4
161.06099	1.0
161.09579	1.1
163.07549	1.4
163.11189	15.3
165.09140	6.1
167.06998	2.9
167.10675	42.8
173.09665	6.9
175.03903	1.4
177.05473	51.6
178.05809	81.4
179.05997	2.7
179.10684	2.3
187.07590	2.9
189.08926	1.2
191.10674	31.3
202.07961	1.2
203.08493	1.3
206.07150	1.4
206.15437	1.8
207.06520	2.2
208.13377	1.1
209.11729	39.5
210.14879	6.4
219.08057	1.4
234.06728	1.1
238.14417	2.5
247.07718	1.4
247.31108	1.1
249.09119	1.2
252.15939	1.9
256.15442	2.3
258.18585	2.7
276.19553	15.3
277.08621	1.4
281.11655	2.8
294.20636	13.2
304.19070	2.6
308.09933	1.1
309.11264	4.5
322.09860	1.1
322.20090	13.0
325.91360	1.0
334.03418	1.1
340.11896	4.1
340.21213	10.5
341.13849	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	340.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.9
55.07083	1.5
56.05850	1.8
56.96585	2.0
57.03426	3.5
57.07083	1.7
61.02917	3.8
62.06090	100.0
67.05508	20.4
69.03442	2.3
69.07056	6.5
71.05003	1.9
71.08636	20.6
71.60262	2.1
73.02927	3.4
79.05491	13.9
81.03445	1.7
81.07053	22.9
83.08616	4.3
85.02911	4.1
91.03970	2.4
91.05489	8.2
93.07040	11.0
94.07373	2.2
95.08605	16.2
95.57143	1.5
96.08959	3.0
97.00590	1.6
97.02898	3.6
97.06557	4.5
97.10168	2.2
98.06090	3.5
99.04421	1.9
99.08091	10.6
101.02361	1.6
104.65026	1.6
105.07039	5.8
107.08615	7.9
109.06546	1.7
109.10172	6.9
110.10567	1.6
116.98607	1.7
117.07062	2.0
119.08569	5.0
121.10149	5.5
123.11750	2.6
124.12000	1.9
131.08565	4.9
133.10133	2.7
135.11725	4.8
136.12080	2.3
145.10146	3.3
147.11707	10.8
173.13316	2.5
178.05898	1.7
224.20122	8.1
242.21188	8.9
243.21210	1.7
247.20723	1.6
248.20946	5.7
279.23141	4.0
322.27420	70.1
323.25653	4.8
335.20395	2.0
340.15961	2.3
340.25134	2.5
340.28513	21.3
341.21097	1.9
341.90521	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
51.30566	1.6
53.03952	2.5
55.01862	2.8
55.05518	15.5
56.96578	2.3
57.03437	9.4
57.07077	4.9
59.20000	1.5
65.03937	2.7
67.05508	92.5
69.03428	3.8
69.07068	16.6
70.66666	2.9
71.01405	1.7
71.05008	3.8
71.08669	2.5
73.02949	1.9
75.04449	3.2
79.05500	43.1
81.03426	8.0
81.07063	98.6
83.08619	6.2
85.02908	2.3
85.06560	2.1
91.05476	21.2
93.07050	63.2
95.04971	5.2
95.08609	90.9
97.06520	4.0
97.10181	3.5
98.97598	4.3
99.04494	2.0
105.07025	20.1
105.43095	2.0
107.04974	2.3
107.08600	38.6
109.06570	3.5
109.10165	66.3
116.98605	5.5
117.03371	4.5
117.07021	11.4
119.08581	18.8
121.10139	40.5
123.08088	2.0
123.11728	20.5
125.09612	2.1
127.03918	1.9
131.08566	23.9
133.10158	18.6
134.99617	4.9
135.11691	35.0
137.02359	35.1
137.09630	3.4
137.13252	5.7
137.51550	1.7
139.11195	3.1
145.02849	11.0
145.10117	19.0
147.11708	17.3
148.86420	1.7
149.06004	2.1
149.13287	25.2
151.11191	2.7
153.12785	2.0
159.11713	19.1
161.13234	5.2
163.03932	5.7
163.11148	2.4
163.14827	7.8
165.12753	2.2
173.13277	16.3
175.14716	2.8
177.05490	29.6
183.08073	2.1
187.07581	2.3
187.14862	5.8
201.16386	3.1
211.07596	5.3
219.21089	4.0
229.08607	8.3
229.19524	27.8
247.20593	100.0
248.20866	2.7
254.16789	2.3
265.21597	8.7
267.09171	2.1
274.97604	5.1
292.98587	7.2
303.23038	2.1
321.11160	5.5
321.24319	12.6
339.12241	23.1
339.25360	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48697	1.9
53.03948	6.4
55.01876	32.1
55.05516	31.3
57.03444	33.0
57.07076	4.6
58.91842	2.1
60.78782	2.2
65.03931	5.8
66.10237	2.1
67.05508	75.9
69.03431	5.0
69.07072	25.7
69.81036	14.6
70.07411	2.4
71.01349	4.3
71.04981	5.1
79.05496	64.9
80.92692	2.5
81.03420	11.5
81.07059	75.0
83.04983	36.4
83.08600	11.0
85.06548	10.2
91.05483	70.7
93.07048	50.3
94.04198	2.9
95.04971	81.6
95.05561	4.7
95.08050	3.5
95.08614	45.8
97.02878	9.0
97.06534	11.2
97.10169	5.9
98.07302	8.8
98.20844	5.1
98.97591	3.8
103.05444	2.3
105.07033	53.0
107.04956	100.0
107.08603	28.1
108.05752	8.5
109.06520	42.6
109.10146	19.0
111.04469	6.1
111.08089	6.2
112.05222	12.1
113.06021	12.6
115.05473	5.9
117.03394	3.9
117.07022	32.7
119.04942	4.4
119.08585	37.5
120.05724	4.4
121.06511	26.4
121.10143	14.2
122.07293	20.9
123.04468	10.5
123.08054	9.1
123.11697	4.2
125.05953	5.7
128.06209	6.2
129.07051	16.0
131.08575	33.7
133.06525	22.5
133.10120	17.8
134.99673	2.8
135.08078	19.8
135.11734	11.8
136.08807	2.8
137.09619	9.9
141.07033	7.6
142.07741	2.5
143.08546	11.5
145.02858	4.9
145.06491	19.0
145.10107	21.1
147.08055	28.3
147.11728	5.6
148.08844	2.8
149.05984	2.8
149.09631	7.6
151.07529	8.2
151.11153	3.0
155.08553	6.1
157.10168	7.5
159.08089	4.5
159.11652	13.9
161.09616	20.3
161.13263	5.2
162.10350	6.5
163.11169	12.5
165.09152	11.8
169.10143	5.3
171.11682	14.9
173.09642	3.1
173.13255	13.2
175.11223	5.9
177.05501	12.6
177.12773	8.1
183.11574	2.5
185.13217	2.5
187.11101	6.3
187.14801	12.0
189.12785	7.9
193.05107	3.1
197.13310	7.4
201.12759	3.9
203.14345	2.9
205.15904	10.4
215.14389	16.1
217.15950	4.4
233.15376	90.2
251.16429	3.1
265.18011	36.8
273.18478	18.2
274.97406	5.9
289.18021	3.5
290.18817	11.4
292.98413	3.2
304.20236	3.2
305.21158	8.7
339.27728	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	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
50.65327	0.9
50.67628	1.0
53.03939	2.8
55.01847	1.5
55.05505	15.8
56.66195	0.9
56.96547	1.4
57.03436	6.7
57.07066	3.6
65.03924	2.9
67.05499	100.0
68.05822	1.1
69.03424	2.4
69.07066	14.2
70.17216	3.8
71.04990	3.5
71.08652	1.4
75.04490	1.2
79.05486	46.8
80.05801	1.1
81.03415	1.7
81.07050	99.9
82.07392	1.7
82.65337	0.9
83.04987	2.1
83.08619	8.2
85.06545	3.5
89.03934	1.7
90.48709	1.0
91.05475	24.9
91.48456	0.9
93.07034	61.3
94.07353	1.1
95.04972	4.3
95.08598	89.5
95.49323	1.0
96.08919	1.8
97.06520	3.4
97.10159	4.5
98.20805	1.0
98.25399	1.1
98.97569	3.0
99.08073	2.3
102.81508	1.0
105.07021	19.3
107.08583	43.3
109.06531	2.1
109.10147	53.9
110.10467	1.1
111.08099	1.8
116.98615	4.6
117.03379	3.1
117.07000	10.7
119.08566	19.6
119.09337	1.5
121.10134	43.4
123.08090	1.6
123.11700	21.4
125.09634	2.0
127.03963	1.4
129.05437	1.2
130.07771	1.3
131.08553	19.6
133.10110	16.7
134.99637	3.6
135.08054	1.8
135.11674	36.2
137.09619	2.1
137.13229	6.0
139.11203	2.7
145.02843	7.4
145.10110	20.0
147.11687	15.2
149.13251	21.5
151.11191	2.2
151.14778	1.4
159.11678	22.4
161.13232	5.2
163.11166	1.9
163.14810	8.4
165.12778	1.3
171.11662	1.3
173.13248	16.1
175.14801	1.5
177.05437	14.3
177.12737	2.5
187.14810	5.4
189.16496	1.5
191.14311	1.2
201.16429	2.9
209.15456	1.3
219.21072	6.2
229.19475	25.6
230.19803	1.4
244.51018	1.1
247.20558	91.7
248.20963	3.2
265.21585	8.4
274.94901	1.1
274.97360	6.7
277.21689	1.0
292.98602	4.4
298.90915	1.0
303.23181	2.0
321.24240	11.5
321.45718	1.0
339.25217	19.5
340.25662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	3.9
53.03947	19.8
55.01863	10.7
55.05511	38.1
56.96561	8.2
57.03428	17.1
57.07072	4.4
58.40495	3.9
59.04996	6.3
61.02922	4.3
64.99445	4.6
67.05181	5.8
67.05507	76.8
68.05855	4.1
69.03412	14.8
69.07065	24.3
69.79364	27.9
71.04996	30.9
73.02907	6.5
73.18210	3.9
79.05492	59.7
81.03418	42.3
81.06590	6.3
81.07054	100.0
83.04986	67.9
83.08623	13.5
85.02890	6.4
85.06520	11.9
85.93631	3.4
87.12003	3.4
91.05476	59.4
93.07044	64.8
95.04954	32.4
95.08608	50.0
95.21172	4.2
97.02884	7.8
97.06518	7.5
97.10139	5.5
98.97588	11.6
99.04456	6.6
101.06007	9.0
105.07036	52.0
107.04952	31.9
107.08606	35.1
109.06503	18.6
109.10171	18.7
111.04449	11.9
116.98603	10.6
117.03371	8.2
117.07029	18.8
119.04919	6.4
119.08556	33.3
121.06487	12.5
121.10149	12.4
123.04482	5.5
123.08085	11.9
123.11687	7.6
125.06009	11.8
129.07005	12.7
131.08546	33.1
133.06474	8.1
133.10117	27.9
134.99666	16.2
135.08069	15.0
135.11653	19.7
137.05901	4.6
137.09590	8.9
143.08574	11.4
145.02780	21.9
145.06464	12.5
145.10117	22.8
147.08092	9.7
147.11685	20.8
149.05998	7.8
149.09621	7.8
149.13271	10.9
151.07562	7.1
151.11131	6.1
155.08531	11.5
157.10100	13.0
159.08080	13.5
159.11662	20.2
161.09656	14.2
161.13274	11.9
163.07565	12.4
163.11208	15.4
169.10107	10.3
171.11652	19.7
173.09592	6.7
173.13290	12.3
175.11261	8.2
177.05495	49.6
177.09145	6.6
177.12759	14.5
178.05675	4.3
179.14284	4.6
183.10165	4.9
183.11676	7.4
185.13274	4.7
187.11276	5.9
189.12767	5.8
191.14433	4.7
198.98891	4.8
205.15834	4.8
207.13840	9.4
215.18176	4.0
217.12180	7.1
219.13760	6.1
233.15395	18.6
237.14951	6.6
243.17464	8.9
253.15773	5.6
254.28865	4.0
261.18570	18.2
271.16879	22.9
274.97537	21.0
289.17981	96.9
292.98575	13.4
303.19559	14.8
307.19235	6.2
321.20496	15.0
339.22437	4.6
339.27701	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	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.13635	0.2
57.03432	0.3
61.02927	1.4
63.02380	0.5
65.94064	0.2
66.44510	0.2
69.03072	0.4
69.03429	4.5
69.27838	0.3
69.28249	1.9
71.12936	0.2
73.67471	0.2
78.04715	0.3
78.79130	0.2
81.03425	0.5
85.02914	0.6
89.03914	4.9
91.05465	0.5
95.04949	0.3
97.02879	0.5
98.20792	0.4
103.05485	0.3
106.04169	0.4
109.02872	0.5
117.03380	18.1
127.03904	2.3
134.03622	1.3
135.04440	1.2
137.05980	0.7
145.02844	50.1
146.03183	0.3
147.04436	0.2
149.05983	6.4
163.03935	0.6
175.03946	0.3
177.05467	100.0
178.05841	0.9
186.05495	0.9
195.06505	0.9
201.84073	0.2
207.06375	0.3
233.08154	0.3
261.07703	0.3
270.14267	0.2
321.09698	0.8
323.58835	0.2
339.10739	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	339.1228
Annotation	Crotalarin
Peak:m/z	Relative Intensity
55.01863	0.5
56.96560	0.2
62.06096	0.3
64.67940	0.1
67.05462	0.2
67.21927	0.1
68.99788	0.2
69.03418	0.2
69.07045	0.1
71.30688	0.3
71.31026	0.2
72.62778	0.2
79.05475	0.2
79.65311	0.1
81.03403	0.4
81.07037	0.4
91.05481	0.3
95.08596	0.4
97.10136	0.2
98.97581	0.4
105.07005	0.2
111.04379	0.1
116.98626	0.4
117.03339	0.2
119.04938	1.0
119.08502	0.2
121.02873	3.1
125.29221	0.1
131.08527	0.2
133.02870	0.2
133.06323	0.1
134.99702	0.2
137.02338	0.9
141.01837	2.2
145.02861	0.8
145.06502	0.3
153.01958	0.1
155.03354	0.3
163.98502	0.2
165.00543	0.3
165.01843	4.3
171.08032	0.2
173.05910	0.2
177.05486	1.6
181.06503	0.3
183.02904	3.7
199.07545	0.4
209.05896	0.2
227.07034	0.4
229.04904	0.5
237.05479	0.2
244.49147	0.1
255.06532	1.4
265.04962	0.3
274.97531	0.4
283.06021	100.0
284.06345	4.2
292.98596	0.4
339.12286	9.4
339.27484	0.4
340.12592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.97853	0.3
55.05502	1.0
61.02919	1.0
63.02375	0.4
65.68720	0.3
69.03072	0.5
69.03428	7.8
69.07064	0.6
70.01585	1.6
81.03440	0.4
81.07046	0.6
85.02905	0.5
89.03914	5.8
89.04463	0.3
91.05483	0.7
92.43597	0.3
95.08620	0.8
97.02895	0.9
97.10183	2.0
103.05466	0.3
106.04190	0.4
111.11755	0.3
117.03378	19.0
119.00851	0.3
119.04929	0.4
125.09599	0.5
127.03918	3.8
134.03645	1.2
135.04408	1.1
137.06058	0.5
143.10674	1.1
145.02844	46.6
146.03178	0.9
147.04338	0.3
149.04813	0.5
149.05977	6.3
156.68605	0.3
158.06155	0.4
175.03860	0.7
177.05466	100.0
178.05814	1.3
186.05435	0.7
195.06538	0.6
207.06573	0.6
233.08038	0.4
261.07681	0.5
296.57690	0.3
321.09647	1.7
321.24124	1.1
339.10809	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	338.2688
Annotation	Melophlin I
Peak:m/z	Relative Intensity
55.01879	1.4
55.05515	6.8
56.96545	1.0
57.03451	0.9
57.07063	1.3
61.02920	0.8
62.06088	100.0
67.05503	15.9
69.03421	0.9
69.07068	5.4
69.50142	2.6
69.50562	5.0
71.04991	1.6
71.08630	24.4
71.75062	0.8
79.05490	13.7
81.03401	2.7
81.07054	16.5
82.07388	1.0
83.04963	3.1
83.08604	2.9
85.06540	1.3
91.05478	8.4
93.07036	15.4
95.04959	4.0
95.08597	12.0
97.06526	2.9
97.10172	1.5
98.06040	4.3
98.97579	1.1
99.08095	15.1
104.69594	0.8
105.07026	4.6
107.04939	1.5
107.08598	7.3
109.06481	0.9
109.10149	5.9
112.07598	0.9
116.98643	1.4
117.07012	2.1
119.08591	5.0
119.84772	0.8
119.85689	1.0
121.10168	4.8
123.11640	1.2
127.11199	1.1
129.07027	1.4
131.08545	1.8
133.10136	4.9
134.99652	1.4
135.11679	4.6
137.09546	0.9
143.10640	1.2
145.02884	4.5
145.10123	3.4
149.13187	1.9
151.11192	6.9
157.10115	1.1
159.11687	1.3
160.13312	0.9
161.13235	5.3
163.11183	4.2
167.10692	0.9
171.11649	1.5
173.13228	1.0
175.14807	2.1
177.05466	7.2
179.14294	8.8
196.13295	1.7
214.14302	3.2
217.94739	0.9
222.18507	17.4
223.16925	1.3
240.19571	27.4
241.19632	3.0
259.20627	2.8
274.97546	2.7
277.21692	5.3
291.75360	0.9
292.98553	2.3
320.25830	91.4
321.23737	1.7
321.26266	3.2
338.26910	21.1
339.26953	1.3
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	Melophlin J
Peak:m/z	Relative Intensity
53.03930	0.5
54.67718	0.5
55.01872	0.6
55.05507	4.3
57.03439	10.7
62.06089	100.0
63.06443	0.8
67.05509	9.7
69.07059	3.9
69.52262	0.8
69.52674	4.1
79.05494	9.9
80.97658	0.5
81.07054	11.9
83.04976	1.0
83.08623	2.3
85.06545	2.1
91.05481	8.1
93.07043	12.2
95.04990	1.2
95.08605	9.8
97.06535	1.5
97.10172	0.6
98.06071	2.4
98.53725	0.5
99.08092	1.1
103.72578	0.6
105.07038	7.3
107.08572	6.5
109.06503	1.2
109.10136	3.2
111.08065	1.1
114.50716	0.5
114.66479	0.6
117.03378	0.8
117.07023	2.4
118.17255	0.5
119.08593	4.9
121.10139	7.3
121.10935	0.8
123.08115	1.0
123.11766	1.2
125.09658	0.6
129.07037	0.8
131.08566	4.1
133.10129	5.8
134.95865	0.6
135.11665	4.0
137.09674	0.7
143.08629	0.6
143.22545	0.5
145.02849	0.9
145.10081	2.9
147.11676	2.8
149.13269	1.4
157.10051	0.9
159.11665	2.6
161.13284	2.3
163.11205	0.5
164.64760	0.6
171.11707	0.7
173.13203	1.0
175.14850	1.9
177.05515	1.8
177.12654	0.6
185.13324	1.1
187.14844	2.9
199.14836	0.6
203.17915	0.9
205.15869	1.5
221.18990	1.2
241.19601	1.3
248.20325	0.8
259.20627	2.3
264.23215	4.8
277.21606	3.2
280.22699	1.6
282.24277	7.5
292.98624	0.6
320.25839	50.7
321.23849	3.8
338.23856	0.7
338.26923	18.5
339.27359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01861	2.7
55.05513	9.7
56.96570	10.8
57.03435	2.4
57.07073	2.1
61.02929	6.5
61.93422	1.6
62.06089	71.4
67.05511	15.2
69.03433	13.4
69.03749	1.6
69.07075	7.3
70.06623	2.1
70.36925	3.7
70.37321	4.1
71.05001	3.5
71.08624	12.0
73.02924	4.5
79.05110	1.7
79.05481	10.2
81.03427	6.1
81.07057	19.1
83.04968	1.9
83.08630	4.8
85.02908	6.2
87.04502	2.1
89.03922	5.8
91.03963	3.8
91.05487	9.6
93.07053	14.6
95.04950	3.9
95.08618	12.3
97.02893	6.2
97.06522	3.5
97.10139	2.0
98.06052	3.0
98.21438	2.3
98.97575	4.0
99.04471	2.7
99.08101	7.9
101.02409	2.1
103.05471	2.2
105.07040	7.0
107.08585	8.9
109.02878	3.6
109.10172	6.0
110.48063	1.6
116.98635	5.8
117.03396	20.8
117.07047	3.6
119.08563	8.7
121.10143	3.8
123.08015	2.8
125.09620	2.1
127.03917	7.0
129.07063	2.1
131.08549	3.2
133.10141	6.5
134.99690	5.1
135.11678	3.8
137.02348	7.2
137.09586	1.9
137.13376	1.9
141.07007	1.9
145.02847	49.1
145.10138	2.9
147.04431	2.6
147.11696	2.9
149.05981	9.2
149.13219	2.9
151.11188	3.3
152.43256	1.9
159.11682	2.3
160.06952	1.6
161.13300	5.3
163.03928	2.4
163.07486	1.9
163.11212	2.9
175.14835	3.0
177.05475	100.0
186.05566	1.8
214.14441	2.5
215.06992	2.2
222.18559	7.2
229.07196	2.9
238.18051	4.6
239.11124	3.8
240.19548	11.6
243.08911	2.0
247.08630	2.5
258.11948	6.5
259.20627	3.9
267.12427	3.1
274.97513	5.5
277.21616	4.7
292.98709	6.0
307.12222	2.6
320.25864	61.4
320.29526	4.0
338.26889	15.2
339.11572	3.0
339.14676	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	338.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
55.05503	1.4
56.05036	0.5
56.96577	0.7
57.03447	0.6
57.07087	0.7
61.02939	0.5
61.83163	0.4
66.84813	0.4
67.05505	3.3
69.03416	0.8
69.07066	9.9
69.26514	1.8
69.26945	2.5
74.56978	0.4
79.05495	3.1
81.07062	6.2
83.04975	3.5
83.08605	0.5
85.02946	0.5
86.09707	100.0
87.10056	0.9
88.03992	1.0
91.05482	7.8
91.06016	0.6
93.07045	10.2
95.04970	2.5
95.08614	1.8
96.66576	0.4
97.02923	0.4
97.06530	0.4
98.20809	1.0
98.97588	0.4
105.07030	10.0
107.08573	2.8
109.06515	7.2
109.10165	1.4
111.08079	2.6
112.07613	0.4
116.98623	1.1
117.03370	1.0
117.86881	0.4
119.08598	3.4
121.10162	0.9
123.08073	1.1
123.11673	0.4
128.10722	5.3
128.83963	0.4
129.07002	0.9
131.08575	2.5
133.06487	0.9
133.10130	12.7
134.99638	1.0
137.06062	0.4
144.10213	0.7
145.02829	2.4
146.11763	30.9
147.08044	0.7
147.11673	7.3
149.09650	0.9
149.13269	1.4
151.07561	1.6
151.11183	32.0
152.11574	0.6
156.10234	2.2
165.12743	1.4
167.14374	0.7
175.11203	3.1
177.05501	4.9
192.13808	0.6
193.12263	3.2
194.15393	0.4
198.99123	0.4
210.14830	1.3
222.14882	1.2
229.07559	0.6
260.20093	6.0
274.97485	1.7
278.21152	32.1
279.21457	1.4
288.19592	0.4
292.98566	1.2
306.20709	3.1
320.22198	3.0
338.23260	14.7
338.26596	0.7
339.23410	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01865	2.9
55.05512	11.4
56.19488	1.3
56.81810	1.4
56.96568	6.3
57.03429	4.1
57.07069	3.5
61.02918	4.5
62.06087	100.0
65.04288	1.2
66.72845	1.4
67.05502	20.9
69.03430	7.3
69.07068	8.9
70.06580	3.9
70.71470	1.3
71.05007	3.1
71.08628	20.7
71.36883	3.2
73.02926	2.8
79.05489	14.3
81.03426	6.4
81.07054	17.9
83.04970	3.2
83.08606	4.7
85.02898	4.5
88.07632	2.5
89.03920	3.8
91.03948	2.5
91.05477	10.1
93.07047	12.4
95.04983	4.4
95.08616	11.8
97.02883	4.1
97.06575	1.8
97.10162	2.4
98.06052	4.2
98.97594	2.8
99.08085	13.6
102.09180	4.5
105.07023	8.8
106.06505	1.5
107.04959	1.9
107.08588	8.8
109.02898	2.3
109.06539	3.1
109.10134	6.5
111.08082	2.4
116.98618	4.1
117.03384	12.0
117.06992	4.4
119.04913	1.4
119.08565	6.5
121.06500	1.4
121.10152	5.4
124.11215	2.5
125.09618	1.5
127.03883	3.4
129.06981	1.7
131.08527	2.4
133.10159	3.7
134.99649	3.5
135.08047	1.9
135.11676	5.2
137.05974	6.1
137.09598	1.6
143.08507	1.9
145.02846	35.0
145.10135	5.7
147.11702	3.5
149.01215	1.7
149.05965	4.8
149.13284	1.8
151.11179	5.5
159.11685	1.6
161.13272	2.7
163.03905	1.4
163.11148	3.7
165.12944	1.3
171.11745	3.4
173.02328	3.9
173.13290	2.0
175.14793	3.2
177.05461	70.0
179.14346	3.6
183.11676	2.0
196.13312	14.7
214.14378	23.3
217.19540	2.1
222.18497	12.9
229.07487	2.9
239.10963	1.5
240.19547	16.9
241.19391	3.0
247.08626	2.0
256.26334	17.0
258.11908	2.9
259.20557	4.5
264.19366	1.3
264.61160	1.4
274.97388	2.9
277.21597	6.8
279.12125	1.7
289.11011	2.1
292.98563	3.0
307.12415	1.8
320.22415	3.3
320.25815	81.4
321.24005	1.5
321.26334	2.0
330.14105	4.9
338.27124	19.3
339.11148	2.8
339.14609	10.1
339.27222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03948	2.3
53.73395	1.2
55.01860	1.7
55.05514	36.1
56.05840	1.5
57.03440	20.7
57.07076	6.8
59.15610	1.2
65.03925	3.5
67.05506	73.9
68.05819	1.8
69.07068	46.4
70.40047	4.0
71.04980	2.1
71.08630	2.6
79.05492	20.4
81.07059	81.5
82.07405	1.4
83.04984	2.7
83.08620	22.8
85.02872	1.1
85.06517	1.4
91.05473	16.1
93.07050	23.4
95.04980	2.8
95.08607	57.6
96.08949	1.3
97.06513	6.3
97.10178	11.1
99.08083	2.3
105.07042	10.1
107.08591	11.7
107.48354	1.3
109.10157	22.4
109.10847	2.0
111.08083	2.3
111.11758	2.8
119.08586	9.0
121.10133	8.6
123.08051	1.3
123.11717	7.3
125.09644	2.2
127.11189	1.3
133.10120	9.7
135.11678	5.9
137.13254	4.3
147.11679	5.3
149.13280	3.4
151.11169	1.3
151.14841	1.1
159.11742	1.4
161.13161	2.8
163.14815	2.3
165.12756	1.5
175.14813	3.4
245.22675	2.2
251.00247	3.2
262.55597	1.2
263.23697	3.3
337.27368	100.0
338.27765	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	337.2737
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03932	2.4
54.39573	0.8
55.01852	0.8
55.05515	37.6
57.03443	22.0
57.07076	6.8
65.03931	2.7
67.05509	78.1
68.05829	1.0
68.55830	0.8
68.74400	0.7
69.07072	41.2
69.37206	3.3
69.37630	4.9
71.04992	1.6
71.08627	2.1
79.05077	1.3
79.05499	20.3
79.05954	1.1
81.07061	81.0
82.07404	1.7
83.04991	1.9
83.08622	22.6
85.06539	3.3
85.73421	0.8
91.05492	12.3
93.06483	1.2
93.07053	21.5
95.04979	1.5
95.08614	58.8
95.72633	0.9
96.08917	1.9
97.06544	4.5
97.10179	12.3
98.21517	1.5
99.08077	1.6
105.07047	11.6
107.08606	12.1
109.06509	2.0
109.10161	26.5
111.08045	2.1
111.11698	2.1
119.08581	7.9
121.10150	10.7
123.08110	1.8
123.11722	9.4
125.09655	1.0
131.08537	0.9
133.10133	7.2
135.11690	6.1
137.09613	1.3
137.13271	4.0
139.11218	1.2
147.11711	5.1
149.13254	3.4
151.14781	1.8
153.12752	1.0
161.13300	5.2
163.14848	3.1
165.12732	1.0
165.16464	0.8
175.14822	2.7
177.16374	1.8
189.16441	1.1
198.07297	0.9
203.18005	1.0
245.22662	3.0
261.34622	0.8
263.23663	6.2
317.61627	0.9
337.27380	100.0
338.27762	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96300	2.2
56.96568	37.7
57.03439	1.3
59.04862	2.1
69.78257	2.8
69.78668	4.2
70.06580	2.7
70.98139	8.4
73.02881	1.5
74.97605	2.2
83.10461	1.1
84.08159	1.4
84.96030	3.7
85.02904	4.8
85.05164	3.3
86.05934	2.1
88.99169	8.7
97.02890	1.5
98.97583	30.6
107.00201	2.2
109.02863	1.2
110.97569	8.3
112.99126	3.9
113.04626	20.4
116.98631	21.1
124.95479	2.8
128.98613	15.6
131.00198	5.2
133.01711	1.5
134.99658	11.0
140.98602	2.6
141.04097	4.0
142.04871	100.0
142.96570	5.0
143.00200	2.7
143.05647	13.7
146.99673	18.4
149.01167	2.7
150.51607	1.2
152.98608	1.2
153.00732	1.8
158.99689	5.9
159.05254	1.6
160.97565	2.8
161.01187	1.9
162.99207	1.5
163.03893	2.5
165.00761	15.7
170.96033	2.6
170.99686	1.6
174.99173	3.2
175.04637	68.2
177.00766	6.1
183.01790	2.2
184.97595	3.6
188.97102	13.9
189.00699	9.4
193.00241	5.8
193.03958	1.9
201.00668	2.0
202.98657	7.1
205.00227	2.4
206.98174	10.7
207.01796	9.6
217.00218	4.3
219.01814	4.4
220.99715	4.5
223.01286	3.7
224.99150	2.0
230.98146	15.0
235.01256	2.5
237.02850	12.3
239.00777	1.8
244.99701	6.4
248.99190	8.1
249.02982	1.7
251.04337	2.3
255.03789	1.7
263.00757	33.4
264.01044	1.7
269.05527	2.7
277.02356	5.8
277.05939	4.5
280.79324	1.2
281.01746	7.1
293.05542	1.5
295.03751	2.5
295.07040	13.7
305.01862	1.8
330.16849	1.3
337.08102	9.9
355.08978	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1393
Annotation	Semilepidinoside A
Peak:m/z	Relative Intensity
55.01868	3.6
56.05036	2.5
56.96556	6.1
57.03424	6.6
61.02922	4.7
63.79148	1.6
67.05498	2.8
69.03422	11.7
69.07047	1.6
69.53978	12.2
70.02959	1.6
70.06566	2.4
71.04964	2.0
73.02907	3.7
75.04478	1.9
76.35020	1.5
81.03413	6.2
81.07050	2.1
83.04987	2.3
84.04510	2.1
84.08145	3.7
85.02426	2.6
85.02907	40.9
85.03428	2.3
85.59258	1.5
86.09702	5.2
89.03905	3.5
91.05489	3.3
94.06554	3.2
95.04942	5.4
97.02889	11.9
98.20750	3.2
98.97584	4.2
99.04456	3.0
105.03363	2.5
107.04877	1.9
108.04440	2.1
109.02868	5.4
111.04430	2.5
113.04583	2.5
115.05450	1.9
116.98594	4.9
117.03405	2.3
117.05740	2.3
118.06532	19.8
119.98484	1.4
121.02879	3.3
123.04488	2.8
123.05534	2.0
127.03905	8.4
128.98642	1.7
130.05040	2.4
130.06523	49.3
131.00194	2.1
131.04887	2.9
132.04451	46.4
134.06015	3.2
134.99651	3.9
135.04388	6.3
137.05931	3.6
139.03888	4.0
142.04857	6.2
143.07256	2.1
144.08083	16.0
145.02832	3.5
145.05077	4.7
146.06004	53.9
146.99608	1.8
154.06555	3.3
155.94682	1.6
157.07605	29.3
158.06009	47.5
159.06419	1.6
163.02725	2.9
163.03929	24.0
169.07608	3.3
170.05978	3.8
170.08340	2.3
171.09164	5.7
172.07556	5.5
174.05495	73.2
175.04608	4.4
175.08664	56.4
175.14388	2.5
176.08995	3.0
177.00671	3.1
177.05447	2.1
181.07655	2.2
185.07047	2.0
186.07877	7.4
187.08777	10.7
199.08652	9.1
200.07068	20.2
212.07259	2.1
217.09720	100.0
218.10124	2.2
237.02814	4.7
258.07520	2.2
272.33691	1.6
276.08636	3.9
278.11218	2.5
295.10788	2.6
309.08725	1.9
319.12943	6.1
337.09253	9.7
337.13977	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	336.2532
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
53.03935	2.0
55.01868	12.6
55.05511	10.4
56.96572	1.3
57.03429	1.9
58.66793	0.8
60.04518	0.7
62.06089	100.0
65.03944	0.9
67.05505	16.7
69.03415	1.8
69.07062	12.3
70.33585	3.1
71.04996	1.4
79.05494	19.4
81.03420	2.5
81.07055	26.1
83.04984	2.6
83.08618	4.3
85.02890	1.1
85.05289	1.5
91.05483	17.0
93.07038	15.3
95.04955	4.4
95.08617	11.4
97.06537	13.7
97.10151	1.2
98.06062	8.0
99.04478	1.1
99.08105	0.9
105.07033	16.1
107.04960	6.3
107.08587	14.3
109.06524	4.7
109.10145	5.6
111.08053	2.0
112.07673	1.0
116.98557	1.0
117.07018	5.9
119.05929	0.8
119.08579	11.0
121.06496	2.6
121.10136	5.2
123.08067	2.6
123.11716	1.6
124.07609	2.2
124.11238	3.1
125.09676	1.0
129.07022	1.7
131.08594	7.8
133.10106	10.2
135.08058	3.2
135.11702	3.8
137.09616	2.1
141.06937	1.3
143.08556	2.2
145.10120	9.4
146.17358	0.9
147.08023	1.1
147.11702	6.8
148.63754	0.8
149.09633	4.9
149.13298	1.6
151.11186	1.8
155.08482	1.1
157.10133	2.7
159.11681	5.4
161.13263	3.4
163.11206	4.8
168.13870	1.3
169.10132	3.0
171.11685	3.1
173.11932	0.9
173.13257	6.0
177.12758	2.1
179.14447	1.0
183.11656	2.1
187.11200	1.1
191.14287	1.2
196.13341	12.3
197.13338	1.8
208.17062	1.6
214.14375	18.9
215.14330	0.9
215.17947	3.7
222.14957	1.7
222.18509	10.5
223.13025	1.0
229.19536	1.8
236.16483	2.4
238.14493	1.0
238.18040	3.9
239.17950	2.1
240.19576	1.6
247.20570	1.0
254.17523	3.5
257.18961	5.2
274.21707	1.1
275.20074	14.3
278.21219	1.2
306.93185	1.5
318.24271	79.5
319.22824	3.7
336.25320	26.6
337.10715	1.7
347.44739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29148	2.5
50.29772	2.9
54.56612	2.6
56.96566	4.0
61.02893	4.0
69.65269	19.0
70.06590	4.8
84.08151	5.7
90.05562	2.6
93.40724	2.8
97.02930	4.4
135.03276	2.8
135.04407	2.8
163.03903	4.8
191.23695	2.6
242.59140	3.0
242.86371	2.6
253.11884	3.5
337.10944	100.0
338.75433	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0894
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
69.73319	14.7
69.73734	3.5
214.22377	2.7
316.96783	2.7
327.42496	2.4
337.08887	100.0
337.11243	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
53.49996	0.7
55.01879	1.3
55.05515	4.7
56.96564	1.0
57.03437	11.2
61.02908	1.1
62.06089	100.0
65.03940	0.8
67.05507	12.0
68.05833	0.7
69.03423	1.6
69.07066	4.3
71.04975	1.3
71.59980	1.6
79.05493	11.3
81.03407	0.9
81.07056	11.0
83.04985	1.6
83.08617	2.0
85.02938	1.2
85.06546	1.8
86.06071	1.4
91.05485	17.0
91.06016	1.1
93.07050	13.1
95.04974	2.8
95.08605	9.7
97.02924	0.8
97.06535	1.5
97.10183	1.1
98.06046	3.8
98.97637	0.9
99.04430	0.8
99.08056	1.7
104.11448	0.7
105.07025	15.4
105.08114	0.7
107.04977	1.2
107.08587	9.0
109.06548	2.3
109.10188	3.6
109.31812	0.9
110.57111	1.0
115.05441	0.9
117.07015	9.5
119.08585	13.0
121.06509	1.1
121.10140	5.6
123.08089	1.7
123.11696	1.2
124.11278	1.0
126.09191	0.9
127.03935	1.2
128.06230	1.1
129.07018	3.5
131.08563	8.7
133.10118	6.3
135.08121	1.7
135.11713	3.8
137.09627	1.0
141.07007	1.9
143.08582	4.0
145.10126	9.0
147.11725	5.7
149.09627	2.8
152.10754	0.9
154.72153	0.7
155.08595	1.2
157.10165	3.6
159.11676	8.4
161.09702	0.8
161.13235	5.5
163.11224	2.3
169.10150	2.0
171.11711	2.1
173.13281	5.7
175.11160	1.1
175.14896	1.8
177.12759	0.9
183.11729	1.8
185.13269	9.7
187.15016	0.8
191.14372	1.7
196.13400	2.0
197.13297	1.1
201.16438	2.9
203.14334	4.3
214.14455	2.1
215.18059	2.1
219.17464	5.2
224.16640	1.2
229.07605	1.2
239.18024	3.4
246.18517	1.5
247.08722	1.1
252.19504	0.8
257.19016	5.2
262.21744	6.7
264.19873	1.1
274.26614	1.7
275.20117	5.9
280.22775	7.1
288.92209	0.8
300.23346	1.9
318.20480	2.0
318.24271	33.7
319.22867	1.0
336.21756	1.5
336.25452	9.0
336.30154	3.8
337.10977	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03946	2.3
53.74688	0.9
55.01861	1.2
55.05265	1.6
55.05508	23.2
55.49286	1.0
57.03437	25.4
57.07058	3.7
57.77374	1.0
65.03925	3.4
67.05502	95.9
69.07067	18.3
69.94843	1.6
69.95264	3.1
71.04978	2.1
79.05490	50.6
81.07053	89.5
83.04983	2.0
83.08620	8.7
85.06523	3.2
91.04908	1.0
91.05479	25.6
93.07042	53.2
95.04950	5.9
95.08603	73.4
95.51433	0.8
97.06516	3.9
97.10156	3.4
105.07021	16.7
107.07862	1.9
107.08588	30.0
109.06527	2.6
109.10146	30.2
111.08043	1.9
112.50131	1.0
113.09663	1.1
116.17099	0.9
117.07014	5.7
118.00186	0.9
119.08581	12.1
121.10137	21.1
123.08061	1.4
123.11701	11.7
131.08551	9.4
133.10132	13.2
135.07997	1.1
135.11676	14.5
137.13231	2.9
145.10114	8.2
147.11664	7.2
149.09598	1.3
149.13278	8.6
159.11690	5.2
161.13243	5.7
163.11197	1.4
163.14799	3.9
173.13208	6.0
175.14795	1.8
177.16393	1.7
187.14857	2.8
201.16583	1.2
243.21094	7.3
261.22137	9.7
279.23215	1.1
317.24866	2.9
335.25806	100.0
336.26105	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.97810	3.4
53.03947	4.1
55.05508	20.6
57.03434	29.4
65.03906	3.8
67.05501	100.0
69.07062	23.4
69.14599	3.7
70.74143	11.3
76.75500	3.2
79.05489	42.7
81.07056	84.8
83.04959	4.2
83.08626	8.9
91.05459	26.2
93.07045	59.9
95.04958	6.1
95.08595	56.3
105.07020	15.3
107.08586	23.9
109.10144	29.8
117.07005	6.3
119.08563	11.5
121.10139	21.5
123.11711	11.6
131.08542	11.3
133.10118	10.2
135.11673	12.8
137.13307	4.4
145.10112	4.9
147.11641	9.1
149.13245	9.5
161.13322	5.4
173.13170	5.2
243.21194	3.9
261.22205	9.0
311.33450	3.4
335.25772	98.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2531
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
53.03965	3.1
55.01870	28.1
55.05510	10.1
55.25915	2.3
62.06089	89.6
63.06130	2.3
67.05489	19.3
69.07076	15.6
71.60694	3.0
71.61084	2.8
79.05503	13.5
81.03432	3.6
81.07051	21.5
83.04993	4.9
83.08611	2.5
87.39735	2.2
91.05481	20.2
93.07052	15.4
95.04989	8.5
95.08594	14.8
97.06537	42.8
98.06054	5.8
99.04404	2.7
105.07040	14.9
107.04959	19.5
107.08616	9.1
109.06506	5.4
109.10191	6.1
117.06989	3.5
119.08595	6.8
121.06520	3.8
121.10148	4.6
123.08105	4.3
123.11699	3.3
125.09640	4.6
131.08601	5.9
133.10146	8.6
137.05989	4.5
137.09651	2.7
143.08653	3.3
145.10118	8.2
147.11722	5.7
149.09669	6.1
152.07080	11.3
161.13316	3.0
163.11200	4.6
165.02896	2.3
173.13300	4.1
179.14308	2.9
185.34830	2.6
222.15038	3.3
222.18529	26.9
240.19666	4.3
247.20724	2.6
257.18991	2.9
266.17642	4.2
275.20163	8.4
288.91959	3.0
318.24261	100.0
336.21765	5.1
336.25391	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	335.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05500	1.7
56.96564	1.1
57.07072	1.1
61.68584	0.5
67.05513	2.6
69.03432	1.3
69.07066	3.4
71.04991	0.9
71.11932	1.2
71.12275	0.6
77.47618	0.5
79.05481	2.2
81.03404	0.8
81.07054	6.2
83.04968	1.1
83.08630	0.9
86.09707	36.8
90.55830	0.5
91.05468	2.7
93.07050	4.4
95.04967	1.9
95.08602	3.7
97.02893	0.7
97.06544	0.9
99.08080	0.8
103.05450	4.0
104.12946	0.5
105.07037	4.1
107.08591	3.5
109.06516	1.4
109.10175	3.8
111.08128	0.5
117.06987	1.0
119.08595	2.2
120.08105	100.0
121.06510	5.3
121.08440	0.8
121.10140	2.6
123.08073	1.4
123.11723	1.1
128.10715	15.1
131.04907	1.4
131.08543	0.9
133.10158	1.5
135.08073	1.0
135.11728	1.9
137.09601	0.6
139.07535	0.5
139.11179	0.6
143.08545	0.7
145.06523	0.6
145.10114	1.4
147.11671	2.5
149.09624	1.1
149.13287	1.0
151.11159	1.4
156.10226	2.9
159.11702	1.1
161.09564	0.7
161.13260	1.9
163.07574	1.9
163.11198	0.5
165.12735	1.0
167.24226	0.5
169.10022	0.5
171.11784	0.6
173.09636	0.6
173.13516	0.5
177.12790	0.5
179.14250	0.7
180.10193	55.4
181.04935	1.2
193.12259	1.4
243.16057	0.7
303.95328	0.5
317.24857	1.4
335.09219	0.8
335.21777	0.8
335.25882	3.2
335.29910	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
55.05502	3.5
56.05041	1.5
56.96564	2.6
60.08154	4.8
65.03938	2.1
65.72778	1.1
67.05498	2.9
68.99788	1.5
69.03428	2.8
69.07060	3.0
69.07403	1.3
70.06590	7.5
70.08928	1.2
70.15051	6.0
71.05009	1.6
72.08149	2.7
73.81281	1.2
74.83433	1.1
79.05497	3.1
81.03412	3.0
81.07066	3.5
83.06093	1.6
83.08621	3.6
84.04487	1.8
84.08141	6.2
85.02895	1.5
86.09694	4.4
89.83689	1.2
91.05470	8.3
93.03419	1.8
93.05798	1.3
93.07059	2.5
94.06519	1.3
95.04966	5.7
95.08614	1.4
96.05309	1.7
96.08090	1.4
97.02890	1.3
97.06538	1.8
98.98488	1.5
105.07045	3.2
107.04939	1.6
108.04465	1.6
108.08141	1.6
109.02874	4.0
110.06044	2.3
110.07174	1.9
111.04428	1.9
116.07076	1.9
116.98615	2.0
119.04900	1.5
119.08547	1.7
120.04446	2.3
120.08044	2.3
121.02815	1.5
121.10205	1.2
122.02716	3.6
122.06033	4.7
123.04411	1.9
124.07584	4.9
126.05515	1.9
126.09144	3.2
128.06247	2.0
130.06522	1.2
131.08559	2.4
132.08113	2.1
135.08066	1.6
136.07588	8.3
137.05920	1.5
138.05481	3.9
140.07104	1.8
143.05690	1.8
144.08052	1.7
145.02853	2.2
145.10135	1.5
146.05980	4.0
147.04440	3.3
147.06360	1.6
148.07532	2.0
149.09512	1.5
151.03860	2.5
152.07101	1.6
153.05463	2.1
154.05002	2.2
157.08913	1.9
158.09665	1.7
160.07553	2.3
161.06010	1.8
162.09102	1.6
163.03929	2.3
164.07033	3.6
166.05045	4.0
167.07072	1.6
169.01266	1.5
170.09654	1.9
172.07541	2.3
173.10812	1.9
174.09213	1.8
177.05434	2.5
181.98566	1.4
182.04427	1.7
182.08163	2.5
182.09662	1.9
184.07617	4.8
184.09932	2.0
186.09198	3.0
187.08762	2.0
187.12332	1.7
188.07082	4.4
189.07478	2.5
192.02933	5.4
196.10411	2.5
197.10771	2.4
198.09085	4.1
199.08650	1.6
199.12357	3.1
200.07083	4.9
200.09218	1.9
201.10258	5.0
208.09601	1.6
210.04054	2.7
210.07834	3.0
211.08655	4.4
215.11823	5.6
217.09647	2.4
225.10248	9.5
226.08545	4.0
227.08159	4.2
227.11804	5.3
228.10326	1.8
229.09682	10.5
239.08301	1.3
241.09795	2.6
242.10454	2.1
243.07709	1.8
243.11305	14.8
245.09277	12.8
253.09714	6.4
254.08034	2.9
255.11259	8.1
257.09207	24.2
258.10083	2.0
259.10785	2.2
261.08636	1.6
261.12418	1.6
271.07681	2.8
271.10773	52.9
272.08969	1.6
273.12231	1.5
275.10437	2.3
281.09265	10.4
287.10281	20.6
288.10898	4.3
289.11841	23.6
298.31357	1.3
299.10278	47.6
305.11197	2.8
317.11325	100.0
318.11804	3.4
335.08759	2.6
335.12225	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	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.3
53.03942	0.6
55.05514	0.9
57.03425	0.4
57.71175	0.3
59.68090	0.3
63.02376	0.3
65.03938	3.9
67.05500	5.5
69.03432	1.1
69.07066	100.0
70.07410	0.6
71.05003	0.4
71.61105	0.5
79.05479	1.9
80.05017	0.9
81.03421	1.0
81.05785	0.5
81.07051	6.5
82.06576	0.7
85.02894	0.7
91.04237	0.5
91.05480	1.6
92.05002	4.0
93.03406	0.3
93.05798	0.6
93.07056	1.7
94.06564	4.0
95.04980	2.6
95.08604	0.9
96.08139	0.8
97.06528	16.0
98.06952	0.3
99.04448	0.5
104.04979	0.4
105.07047	0.9
106.06562	0.4
107.03690	0.4
107.04946	0.4
107.08593	1.5
108.04503	1.2
108.08154	0.3
109.02866	0.9
109.05235	0.4
109.06535	1.4
109.10187	0.6
110.06062	0.6
111.04483	0.3
112.07594	0.4
113.05915	0.3
117.07045	0.9
118.02879	0.3
119.03696	0.9
119.04964	0.5
119.08582	0.8
120.04424	0.5
120.08025	0.4
121.05221	0.8
121.06528	0.9
121.10136	0.5
122.06023	8.3
123.04449	0.5
123.07948	0.3
124.07589	3.0
125.06020	1.7
126.05516	0.3
127.03899	0.6
128.06239	0.5
129.07030	0.6
130.06551	0.8
131.07317	1.2
131.08563	0.8
132.04385	0.5
132.08083	0.9
133.10139	0.7
134.06032	0.7
135.04385	0.3
135.08009	0.4
135.11713	0.5
137.05988	3.6
137.09612	0.7
138.05504	6.2
138.09059	0.3
140.07068	7.3
141.07881	0.9
142.08640	0.9
143.07362	0.6
143.08521	0.7
144.08064	2.7
145.06474	0.4
145.08862	3.5
145.10121	1.9
146.06038	0.8
146.09651	4.0
147.06778	1.2
147.07986	0.4
148.03894	1.9
148.07526	0.3
149.09665	0.4
150.05501	78.0
151.05794	0.6
152.03421	0.9
152.07089	0.8
153.05478	0.7
153.07043	0.4
155.03458	0.3
155.08537	0.5
156.08043	0.4
157.08879	3.2
157.10054	0.6
158.06001	0.5
158.09669	0.9
159.08029	0.4
159.10434	0.9
159.11676	0.4
160.07584	1.2
160.11243	1.1
161.08333	3.6
161.09567	0.4
162.09148	2.7
164.03445	1.3
164.07071	0.8
165.04198	1.2
166.04994	31.4
167.07181	0.8
168.06557	1.2
168.07869	0.3
169.08904	0.3
170.05971	0.4
170.09584	0.8
171.06792	0.4
172.07529	1.5
172.11218	4.3
173.08342	2.3
173.09653	1.3
174.09158	1.7
174.12764	6.8
175.03981	0.3
175.09912	0.6
176.03421	7.7
176.10645	0.4
178.04993	2.2
179.04567	0.5
182.04514	0.8
182.09706	0.7
183.06757	0.7
184.07579	0.3
185.08427	1.9
186.05486	0.5
186.07637	2.0
186.09166	0.8
187.09909	0.5
188.07039	0.6
188.10724	2.0
190.08635	0.8
190.12256	4.5
192.02859	0.8
194.04475	3.2
196.06027	0.3
198.07594	1.6
198.09348	0.8
199.06300	0.5
199.08530	0.4
200.07063	1.0
200.08968	0.4
200.10732	7.0
202.12254	8.6
204.06604	0.5
204.10170	0.5
206.08183	0.3
206.11771	0.7
207.04073	0.4
207.06494	0.6
210.09152	0.5
213.10223	1.3
215.08122	0.8
216.10222	3.7
218.08144	1.6
218.11757	28.9
219.12115	0.7
225.10176	0.5
226.08812	1.5
227.11823	0.8
228.10197	16.9
229.11119	0.3
229.13312	1.6
230.11804	0.5
234.11241	3.2
241.09682	0.6
243.07745	0.4
243.11275	1.3
244.06044	0.4
244.09796	2.2
244.64937	0.3
245.12877	1.9
246.11255	26.6
247.11461	0.5
249.03764	0.3
253.09714	0.5
254.08017	0.4
255.11275	1.0
256.09818	1.5
257.09448	0.7
261.08655	1.2
261.12302	1.0
262.10675	0.9
270.34650	0.3
271.06946	0.7
271.07428	0.6
271.10785	4.1
272.09155	3.2
273.12354	3.5
274.10706	2.9
275.05539	0.3
275.10434	0.5
285.07593	0.4
287.10269	7.8
288.11087	0.6
289.11819	10.0
290.10159	1.8
291.13422	0.9
299.10272	5.9
300.08865	0.5
302.04053	0.4
317.11319	28.1
318.09335	0.4
335.12341	20.0
335.18912	0.7
336.12885	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05491	1.3
58.75538	1.1
65.03933	3.4
67.05505	6.7
69.03429	2.8
69.07069	100.0
70.00365	4.1
70.06606	1.3
71.04983	0.8
79.05486	4.0
80.05009	1.6
81.03407	1.9
81.07041	5.2
83.05001	1.9
85.02875	1.3
86.09694	2.5
90.98933	1.0
91.05489	5.2
92.05007	5.7
93.07043	2.7
94.06551	5.5
94.07059	0.9
95.04966	3.1
95.08627	1.2
96.08124	1.7
97.06541	19.6
103.05508	1.1
105.07007	2.0
107.03721	1.0
107.08579	2.6
108.04490	1.2
109.02827	1.3
109.06535	2.2
110.06110	1.2
117.07042	1.7
119.03712	1.1
119.08562	1.2
121.05261	1.8
121.10192	1.1
122.06014	10.0
124.07574	3.3
125.06041	1.3
126.09126	1.4
130.06528	1.3
131.08563	1.4
132.08102	1.3
133.10109	1.8
137.05992	3.5
138.05521	5.3
140.07056	8.6
143.08583	1.0
144.08087	2.1
145.08855	2.9
145.10023	2.1
146.09641	3.2
147.11665	1.3
148.03889	1.8
148.07596	1.3
150.05502	94.9
152.03389	1.4
153.05490	1.3
155.07317	1.1
157.08850	2.1
158.05978	1.4
159.10451	1.2
160.07620	1.4
161.08345	3.0
162.05426	1.1
162.09114	2.2
164.03514	1.4
165.04253	1.1
166.04999	34.6
167.07100	2.5
168.06619	1.2
172.07578	1.1
172.11223	4.2
173.08315	1.5
173.09604	1.4
174.09157	1.6
174.12785	3.1
176.03423	8.5
178.04979	2.5
182.04439	1.2
184.07599	1.0
185.08414	2.1
186.07674	1.3
186.09210	1.6
188.10698	1.8
190.12303	5.1
194.04468	4.6
198.07896	3.2
200.10721	5.3
202.12318	5.1
206.11597	1.1
207.06445	1.0
211.08745	1.0
213.10306	2.8
215.11911	1.0
216.10167	3.9
218.11768	16.8
225.10135	1.6
226.07237	2.4
227.08044	1.1
228.10245	10.7
229.09621	1.4
229.13446	1.7
234.11246	3.4
241.09714	3.2
243.11313	1.5
244.09825	2.1
245.12901	2.2
246.11253	14.5
250.33206	1.0
254.07976	1.0
255.11267	1.6
257.09183	2.0
261.12396	1.4
269.09290	1.3
271.07217	1.4
271.10739	7.5
272.09109	2.7
273.09167	1.0
273.12399	3.8
273.18832	2.1
274.10718	1.5
287.10263	40.1
288.11066	1.1
289.11835	5.4
290.10214	2.1
299.10342	5.5
303.09723	1.2
317.11319	33.8
335.08740	1.1
335.12366	7.5
335.22574	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64666	1.3
52.50478	1.3
53.03953	2.4
55.01870	5.2
55.05510	6.4
56.96574	3.4
57.03435	3.7
57.07066	4.5
65.03951	1.6
67.05163	2.2
67.05504	21.2
69.07071	10.0
71.05006	1.5
71.08634	10.5
71.60639	1.8
71.61057	1.7
72.04517	78.3
79.05497	11.0
81.07059	24.3
83.08641	1.8
85.02927	1.3
85.06551	3.9
88.07584	1.8
91.05485	57.3
92.05824	2.5
92.39642	1.2
93.07050	19.0
95.04965	18.9
95.08606	27.9
96.56831	1.3
97.06531	5.0
99.08102	4.6
100.07653	2.0
105.07029	12.0
107.08592	14.8
109.06525	26.8
109.10156	9.2
114.09167	17.4
117.07066	3.5
119.08578	7.9
121.06493	2.7
121.10162	5.9
123.08051	1.6
128.10732	7.3
131.08574	5.4
133.10146	11.5
134.99719	1.6
135.08122	2.0
135.11717	3.0
137.09630	2.5
142.12289	4.9
143.08580	1.5
145.10158	4.5
147.11700	5.6
149.09621	2.5
149.13303	6.6
154.12376	1.3
156.13834	2.5
157.10176	1.6
159.11679	2.5
161.13206	1.9
163.11249	1.8
163.14818	1.9
165.12750	100.0
173.13280	9.1
175.11194	4.1
175.14963	1.5
177.12656	1.8
180.13951	3.5
182.15381	16.3
183.11809	1.7
187.14856	1.5
191.14336	8.1
194.15468	1.7
201.12799	3.9
212.16492	8.6
220.16924	12.0
229.19572	2.5
231.27074	1.5
236.20114	35.9
243.21098	1.8
257.10791	1.6
267.09064	2.7
271.20639	5.1
285.10168	2.7
289.21561	8.2
316.26276	7.1
318.16519	1.4
334.23853	2.6
334.27472	42.4
335.25751	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.2
56.05021	5.6
56.96557	8.5
57.03427	4.5
61.02901	2.4
63.67138	1.7
67.05491	2.3
69.03423	9.8
69.58673	11.3
70.06570	7.8
71.04973	6.7
72.08161	2.3
72.93774	2.0
74.06061	2.2
79.05476	5.2
81.03404	3.0
81.07058	25.8
83.04980	3.2
83.08626	11.1
84.04497	4.8
84.08118	5.6
85.02905	25.7
85.06539	3.4
86.09711	4.4
88.03967	5.1
89.15482	1.9
91.05470	4.9
91.31544	1.6
93.07008	2.5
95.04990	2.9
97.02882	10.1
98.09687	4.5
98.97566	7.9
98.98470	4.6
99.04438	3.0
99.08080	3.7
105.07057	2.0
108.08115	3.6
108.95853	2.0
109.02860	5.7
109.06508	22.2
110.06030	2.2
110.07156	3.8
110.97618	2.1
112.07578	2.7
116.98619	7.8
120.08097	2.5
124.07616	6.5
126.09157	62.7
127.03905	5.6
127.07563	20.0
130.05011	3.3
130.06534	2.3
130.08636	4.8
134.99643	8.0
135.04451	3.2
136.07536	1.9
137.05968	4.4
138.09163	2.5
139.03835	3.2
140.45747	2.2
144.08138	2.3
146.06000	4.4
146.99666	3.5
154.08630	70.0
155.02049	1.9
155.07027	46.8
161.01237	2.3
161.06004	2.3
163.03873	3.8
172.09688	100.0
173.08067	2.2
177.00674	4.5
177.05415	1.9
178.05795	2.2
187.08733	1.8
188.06985	2.9
211.40617	1.9
219.01746	2.8
234.99031	3.1
237.02762	4.7
261.12201	2.5
288.13699	3.5
292.21329	1.7
293.09045	7.1
298.16513	2.8
299.10184	1.9
311.06448	4.5
311.10046	1.8
316.14047	2.4
317.11331	11.5
334.08862	17.9
334.14545	2.8
334.18158	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	PGB3
Peak:m/z	Relative Intensity
64.32084	0.4
70.86218	1.4
81.07057	0.7
85.06563	0.4
91.05457	1.1
93.07030	1.0
95.01910	0.5
98.98479	0.8
103.35908	0.4
105.07015	1.2
107.08581	0.7
111.04183	0.5
121.10157	0.7
123.04397	0.6
133.10110	1.3
166.76074	0.4
242.25031	0.4
247.12999	3.7
280.51205	0.4
315.19315	8.6
333.20361	100.0
334.20480	2.3
334.23935	0.7
334.29706	0.5
351.20062	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31912	1.6
56.04790	2.5
56.05042	31.2
56.96551	2.0
57.03429	3.7
61.02911	6.5
61.04042	1.4
69.00905	1.5
69.03415	1.9
69.04529	2.9
69.99306	3.6
70.02953	2.0
70.58608	5.5
72.04519	24.7
73.02920	1.6
74.02426	3.7
74.06070	2.3
81.03404	2.1
81.04532	3.2
82.02927	6.2
83.06086	2.0
84.04513	8.4
84.05651	1.4
84.08115	1.4
85.02907	9.2
88.03986	2.2
95.02464	1.8
96.05579	1.6
97.02880	3.9
98.97607	2.5
98.98460	12.5
99.05578	15.0
100.04000	7.4
101.02386	1.6
102.05518	2.8
109.03999	2.2
110.03530	2.8
112.05079	3.4
114.03017	5.7
114.06686	9.6
115.05040	2.4
116.03467	2.5
116.98624	2.8
118.04995	2.7
123.05547	12.4
124.05088	7.0
125.03487	10.2
126.02954	1.9
127.03970	2.2
127.05018	2.2
128.02364	1.5
128.03416	5.6
129.02960	2.8
130.05052	2.9
134.04504	10.1
134.66844	1.3
140.03467	1.7
140.04556	30.4
143.04578	2.8
145.06047	3.4
150.01794	1.8
150.06624	2.6
152.04543	5.6
154.06123	2.9
160.07170	12.3
168.04045	5.5
170.05600	8.4
171.04083	7.3
174.03970	4.9
180.04008	2.8
182.05539	2.7
186.05119	42.3
193.64897	1.6
198.05078	17.4
208.07146	3.0
213.03455	4.0
214.04599	5.0
214.08163	2.5
216.06165	4.2
222.03876	2.4
226.04491	1.9
228.06215	4.0
235.53349	1.7
242.07684	2.3
244.05672	54.0
254.07892	4.1
256.05722	3.7
260.08789	25.0
270.07230	6.6
288.08316	8.0
298.06732	3.4
311.06537	3.2
316.07776	65.7
334.08792	100.0
335.09183	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.4
55.05501	0.9
55.96215	0.4
56.96563	0.6
57.03423	0.9
59.76611	0.4
60.20903	0.4
67.05490	1.7
69.07051	0.9
69.94945	1.9
74.07886	0.3
77.00895	0.3
79.05481	2.1
81.07053	2.4
83.08630	0.5
85.29267	0.4
91.05482	1.9
93.07047	2.2
95.04978	0.5
95.08607	1.3
97.10084	0.3
98.21454	0.7
98.98453	1.2
103.79715	0.4
105.07024	2.8
107.08599	1.5
109.10170	0.6
117.06988	1.1
119.08588	2.4
121.10150	1.4
123.04379	0.8
129.05469	0.6
129.06995	0.6
131.08615	0.5
133.10130	1.7
145.10135	1.0
147.11690	0.6
159.11687	1.0
171.11682	0.4
173.13324	0.6
185.06639	0.9
241.19574	0.7
243.14423	0.7
261.15442	0.7
263.12564	1.1
281.12668	0.5
333.20374	100.0
334.20676	2.2
334.24158	0.5
335.60721	0.4
346.60617	0.4
351.20108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53234	0.7
55.05512	2.1
56.96561	2.9
57.03422	2.3
57.07074	2.5
61.02930	1.4
67.05506	3.8
69.07063	1.6
69.28782	9.0
70.06574	1.2
71.08621	1.2
71.76046	0.6
73.02909	0.9
77.00908	2.1
79.05513	5.0
79.65161	0.9
81.03411	1.0
81.07059	4.0
83.08606	1.3
85.02889	1.6
91.05488	4.8
93.07043	3.6
95.01955	1.7
95.04992	1.6
95.08616	2.3
97.06552	0.8
98.21552	1.7
98.98464	9.4
100.98907	0.8
105.07047	5.8
107.08604	2.9
109.10150	1.4
117.07070	1.3
119.08603	4.0
121.10143	2.3
123.04443	2.9
127.03882	0.8
131.08580	1.8
133.10136	3.2
135.11700	1.3
143.08575	1.0
145.10158	1.7
147.11710	2.2
149.02339	4.0
149.13254	0.9
157.10179	0.9
159.11710	1.2
175.11235	1.0
176.98987	1.0
185.13301	1.1
187.62027	0.8
189.69681	0.8
193.04968	8.9
195.09938	1.3
196.62564	1.9
197.08142	2.8
197.10106	0.8
201.09785	1.2
213.09770	1.5
215.11320	2.9
216.15318	0.9
219.10814	1.3
231.10851	1.9
233.12318	1.1
243.12622	1.8
244.20393	0.8
245.12457	1.1
253.12927	3.1
262.10809	1.7
271.13879	3.5
276.14398	1.1
280.12000	0.7
287.11630	4.8
302.24045	5.8
302.74182	1.4
315.18381	1.2
333.20389	100.0
333.25671	9.8
333.76093	3.2
334.20612	1.8
351.10953	0.9
351.20197	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1906
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03935	3.0
55.01868	3.5
55.05500	6.5
57.03423	10.2
57.07069	17.5
59.05002	13.9
61.02932	13.2
61.39816	2.6
65.03949	2.7
67.05502	28.6
69.03428	41.2
69.07072	17.1
70.30270	10.0
71.04991	11.3
73.02914	3.6
79.05481	4.8
81.03408	16.0
81.07047	10.3
83.04948	2.5
83.08599	5.1
84.08136	3.9
85.02902	100.0
85.06548	16.0
86.09702	8.4
87.04453	6.2
91.03929	7.1
91.05468	5.2
93.07037	8.6
95.04956	12.0
95.08604	73.3
97.02889	29.5
97.06515	8.5
99.04449	6.3
99.08090	19.9
105.07019	5.2
107.08588	12.8
109.02882	11.6
109.06540	13.0
109.10171	17.8
111.08070	9.9
111.09895	2.3
113.08881	4.5
113.09644	85.2
113.10429	4.5
114.26206	2.2
119.08573	3.2
121.10109	3.2
122.05965	2.5
123.04420	4.1
123.05523	2.4
123.06366	2.5
124.07553	3.4
127.03901	25.3
127.11192	54.1
135.08043	2.7
135.11693	21.3
137.05966	5.4
137.13271	9.2
138.05458	13.4
139.03883	4.4
140.06995	2.9
143.05627	3.0
145.04973	22.3
147.04384	4.3
150.05510	22.6
152.07051	4.5
153.05460	7.1
153.12741	87.8
155.14297	11.6
163.06093	3.0
165.05518	2.4
166.04971	4.1
167.03450	3.3
167.06982	4.6
169.03770	4.8
171.13803	44.5
174.13123	2.7
177.12801	3.4
202.12657	2.6
221.07098	2.4
229.04633	3.2
230.04730	3.5
231.49619	2.7
245.07014	4.2
251.06996	2.4
270.07510	3.3
271.05902	3.0
272.06424	2.8
272.11624	3.3
273.06494	4.0
288.42288	2.6
301.06055	7.2
301.11829	14.6
317.06424	3.3
318.06171	2.6
318.09415	2.6
333.08646	59.4
333.14371	5.0
334.09122	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.7
56.96564	35.8
57.03417	1.2
63.98265	0.7
67.05487	3.2
69.07046	1.8
70.73907	1.8
71.95257	5.4
72.96039	1.9
74.97598	2.2
78.81448	0.7
79.05477	1.7
81.07039	3.8
84.96033	2.0
91.05461	3.3
91.74556	0.7
92.98635	1.6
93.07053	3.5
95.08600	2.6
97.06512	0.8
97.96812	1.3
98.97587	0.9
98.98454	2.7
105.00095	0.9
105.07038	4.1
107.08588	1.7
109.10114	0.8
110.97540	3.8
115.97819	1.8
116.98615	1.7
119.08541	1.7
120.98041	0.7
121.10133	1.7
123.01199	1.7
123.04406	1.5
124.51334	0.8
127.03896	0.7
128.98601	13.5
131.00073	1.4
131.08572	1.2
133.10118	1.5
133.98909	1.7
134.99631	1.4
135.11725	1.1
143.00133	1.0
146.99652	23.2
147.11707	1.5
155.03770	1.8
157.10100	1.0
159.11646	1.1
161.01175	4.9
161.13263	0.8
165.00735	5.3
169.05290	0.9
170.01216	1.3
171.03268	1.6
171.11678	0.8
175.02783	1.4
183.06918	0.8
185.04845	0.9
189.04309	3.1
197.08046	1.0
199.06317	0.9
203.05907	2.7
224.04962	0.9
225.08051	1.2
227.09610	1.1
237.10080	0.8
241.11029	1.0
243.08945	1.5
252.10268	0.8
259.12228	1.2
259.20645	1.0
263.09500	3.5
264.10355	1.4
265.11221	1.1
270.11276	0.9
277.11029	1.3
281.10648	1.5
282.11194	0.9
283.12213	1.3
295.12125	1.0
303.12631	3.3
313.14816	1.2
315.16299	46.4
316.16742	1.2
317.14502	1.2
321.13531	1.3
331.15756	3.4
333.17337	100.0
333.24078	2.8
334.17725	4.1
347.18930	0.8
349.16714	1.0
351.18375	22.4
356.18958	19.9
357.19263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
56.96566	39.2
57.03423	1.4
60.54185	0.6
62.43998	0.7
67.05493	2.2
69.07061	1.4
69.29585	7.8
71.95267	4.7
72.96037	1.1
74.97610	3.1
79.05496	3.1
81.03416	0.7
81.07056	3.3
84.96009	2.7
88.81992	0.7
91.05466	3.0
92.98643	1.4
93.07049	3.4
95.08600	2.3
97.96798	1.4
98.97592	0.8
98.98444	2.0
105.00172	0.6
105.07050	3.6
107.08566	2.6
107.09217	0.8
109.06529	0.7
109.10167	1.4
110.97561	3.3
115.97837	1.9
116.98585	0.9
117.06987	0.9
119.08571	2.7
121.10162	0.8
123.01191	1.3
123.04427	0.9
128.98619	13.1
129.07010	1.0
131.00084	0.9
131.08603	1.1
133.10135	1.7
133.98842	1.6
134.99600	1.3
137.02783	1.1
140.98410	0.8
141.02219	1.0
143.00078	1.1
145.10129	1.5
146.99651	21.5
147.11667	0.9
155.03728	1.5
159.03360	0.7
159.11604	0.9
161.01184	3.6
161.04997	1.0
165.00758	5.7
167.03609	0.7
169.01669	1.6
169.05247	1.2
170.01266	2.0
171.03310	1.3
175.02826	1.2
175.87656	0.8
179.02283	2.0
183.03226	0.6
185.04788	1.6
187.02701	1.1
188.03714	0.7
189.04315	3.4
190.05173	0.8
193.05212	1.0
195.06943	0.8
197.08134	1.1
201.04349	0.8
203.05922	2.2
207.06946	1.1
209.08603	0.8
220.19496	0.7
223.08263	0.6
225.07962	1.3
227.09482	1.3
234.55328	0.9
241.11110	0.8
243.09114	1.2
245.10602	1.4
249.08009	0.8
259.12201	1.4
263.09500	2.9
264.10281	1.1
265.11353	1.2
267.09015	1.2
275.13290	0.7
277.11176	1.2
281.10474	1.6
282.11298	0.9
303.12619	2.7
313.14658	1.4
315.16296	50.3
316.16586	1.7
331.15817	4.5
333.17346	100.0
333.24002	2.6
334.17758	3.5
349.16922	1.4
351.18408	21.7
352.18393	0.9
356.18951	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	333.1155
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
56.96560	0.6
57.02726	0.3
69.03442	0.3
71.22730	0.4
71.23075	0.6
98.97549	0.7
98.98481	1.8
116.98599	0.6
145.02814	0.5
156.07693	0.5
171.06342	0.8
189.04317	1.5
207.05374	0.9
221.05104	0.4
231.05469	0.6
273.09216	1.9
303.49341	0.4
311.06323	0.4
333.11548	100.0
334.11899	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1334
Annotation	Lonchocarpan
Peak:m/z	Relative Intensity
53.03954	0.4
54.60670	0.3
55.01872	0.7
65.03939	0.7
67.05506	3.1
68.99778	2.3
69.07050	0.3
69.80634	1.8
70.37412	0.3
75.04494	0.5
77.56619	0.3
79.05489	1.9
81.03440	0.5
81.07058	2.0
91.05489	2.1
93.07043	2.2
95.04974	5.3
96.63417	0.4
98.98444	0.4
103.05460	2.3
105.07008	0.5
107.04948	1.9
109.02831	0.3
109.06519	1.6
119.04922	0.3
121.02876	0.4
121.06503	8.8
122.03651	0.4
123.04430	100.0
124.04737	0.5
125.05997	0.8
133.02773	0.4
133.06528	0.5
135.04384	0.8
136.05197	1.3
137.05984	0.8
138.06757	0.5
139.03905	1.5
139.07530	1.7
144.85716	0.3
147.04430	1.0
148.05226	0.5
149.05983	22.2
151.03932	1.0
151.07561	2.4
152.04697	4.0
153.05440	1.3
154.06233	1.3
155.07021	0.3
163.03920	0.8
163.07527	1.0
164.04677	0.8
165.05475	1.5
167.03462	2.0
167.07027	2.1
169.08626	1.5
176.04680	0.4
177.05481	2.1
179.07031	6.0
180.07860	0.8
181.04938	1.4
181.08614	0.4
182.05748	34.9
183.06203	0.9
191.07033	1.2
192.07803	4.1
193.04944	2.0
195.06522	1.4
195.10201	1.0
196.07159	0.6
197.08098	57.4
198.08434	1.1
208.07222	2.9
209.08110	0.4
210.08469	0.5
211.09641	8.4
223.09660	13.4
246.12314	0.3
318.10733	0.5
333.13275	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0969
Annotation	Dihydrotricetin 7,3'-dimethyl ether
Peak:m/z	Relative Intensity
51.02391	3.0
53.03933	3.8
55.01871	5.1
55.05510	3.5
56.96551	3.5
65.03945	11.9
66.31902	2.2
67.05495	5.1
68.99801	10.7
69.03429	4.5
69.07064	6.3
69.64762	3.5
69.65178	11.0
70.06577	2.3
79.05486	13.2
81.07060	10.7
83.04989	3.7
84.99312	2.1
85.02879	4.6
91.05473	12.2
93.03413	10.0
93.07072	4.8
95.04997	12.8
95.08618	4.2
97.02901	3.9
97.06538	3.1
98.98475	3.9
103.05479	3.5
105.03389	3.9
105.07033	6.6
107.04955	51.7
107.08523	3.2
107.90368	2.3
109.02876	4.9
111.04440	27.3
113.02353	2.1
114.62132	2.5
115.05428	4.8
117.07033	2.4
119.04977	11.0
119.08578	4.8
121.02894	6.1
121.06535	7.9
122.03648	5.1
123.04428	30.0
123.86290	2.3
125.02321	2.9
125.06064	5.1
127.03925	5.2
127.29164	2.1
128.06183	4.6
129.07022	4.2
131.04880	5.2
131.08565	2.3
133.02847	10.1
133.06467	2.8
134.03690	3.7
135.04407	22.4
136.06161	3.1
137.02333	5.6
137.05975	13.0
138.03119	3.2
139.03899	36.1
139.05476	2.7
140.04634	2.8
141.06999	2.7
143.04889	5.3
145.03951	3.1
145.06490	3.8
147.04416	26.5
147.08002	2.7
147.11807	3.2
148.05217	7.1
149.01227	3.7
149.02345	6.1
149.05983	6.8
149.09631	2.7
151.03952	11.4
151.07600	2.3
152.06148	3.4
153.01848	6.1
153.05470	27.1
153.06856	3.8
154.02666	2.5
155.03473	3.0
155.04936	2.8
156.04176	3.2
157.06458	6.0
159.04405	3.2
160.05185	6.4
161.06007	4.2
163.03914	75.0
164.04634	7.2
165.05467	7.2
165.06906	3.7
167.03543	2.7
167.07037	9.6
169.04948	9.8
169.06487	5.8
171.03032	4.9
171.04451	10.6
171.08051	3.1
173.05971	6.4
175.03951	4.1
176.04684	5.0
177.05501	8.3
178.02724	2.5
179.03458	6.3
179.07074	4.8
181.04984	6.7
181.06477	10.0
181.08626	2.1
183.04465	4.4
183.06543	9.2
184.05202	6.5
185.05960	7.5
187.03865	5.7
187.07549	3.2
189.05466	6.1
189.09001	2.5
191.07042	2.9
191.10342	2.5
193.04968	6.0
194.05731	11.1
195.06540	100.0
197.06027	6.4
199.03874	6.4
199.07605	6.9
200.04597	2.5
201.05466	8.1
203.07031	2.9
207.06516	8.9
209.06094	4.7
209.08066	47.7
212.04619	3.0
213.05466	14.9
215.03462	2.6
215.06990	7.0
216.04205	9.9
221.13052	7.4
223.03987	3.7
226.06313	4.4
227.03563	2.5
227.07048	16.5
228.04118	2.6
229.05040	5.6
231.06519	17.0
237.05489	8.9
239.03555	3.0
240.04228	6.3
241.04956	7.6
242.05634	3.4
243.06549	9.0
245.08047	3.8
255.02921	3.4
255.06519	13.5
257.04462	7.8
258.05173	2.7
259.05716	2.6
265.05118	2.9
269.04529	7.4
271.06201	10.4
272.06766	5.7
273.03973	7.4
273.07703	8.5
275.09113	2.8
283.02554	6.4
283.06061	22.6
285.04068	4.0
286.04474	3.4
287.05545	32.3
287.08768	3.0
288.09738	3.5
300.06412	7.4
301.03427	16.7
301.07089	28.4
301.10330	4.1
303.08661	6.8
305.10455	2.4
309.14682	6.4
315.04971	39.5
315.08661	28.6
333.06244	15.6
333.09210	17.5
333.13104	2.7
352.84515	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.0
57.03423	7.2
57.07077	93.8
67.05504	30.7
69.07055	16.7
71.08280	6.4
71.08636	77.0
71.60307	5.8
79.05498	5.4
81.07048	31.0
83.08624	27.3
85.10176	34.9
87.32294	3.7
91.05486	7.1
93.07001	4.5
95.08612	52.1
97.10159	11.8
98.97857	7.4
98.98469	100.0
107.08573	4.9
109.10161	28.2
111.11664	5.5
112.17953	3.3
116.99515	5.6
119.08601	4.5
123.11708	9.3
159.11696	4.5
176.98955	9.5
210.50887	3.6
228.57913	3.8
239.23691	19.7
257.24713	7.3
313.27344	66.6
331.08188	20.4
331.22665	4.5
331.34082	5.2
333.87360	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03942	1.2
55.01872	0.7
56.96558	0.8
57.03427	1.2
61.02919	2.3
65.03931	0.9
67.05506	3.5
69.03430	6.9
70.21194	2.0
73.02914	2.0
79.05479	2.1
81.03408	1.7
81.07065	0.9
84.08144	0.7
85.02907	6.9
87.04464	1.7
92.04998	0.6
93.05775	0.5
96.08119	1.0
97.02882	3.2
99.04437	0.7
106.06557	4.4
108.08120	100.0
109.02869	1.6
109.08450	1.5
123.06800	4.4
124.06718	1.2
124.07597	18.5
124.08501	1.0
127.03922	1.5
134.06035	12.1
136.07585	13.1
137.08363	0.8
145.04950	0.7
152.07069	73.2
153.07491	1.1
154.08635	2.2
163.15541	0.5
170.08116	9.8
170.09412	0.8
191.24445	0.5
208.21388	0.5
271.41122	0.5
314.12341	41.2
332.13406	54.8
333.13773	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0967
Annotation	Dihydrotricetin 7,3'-dimethyl ether
Peak:m/z	Relative Intensity
53.03934	0.7
55.01865	0.7
55.05504	1.4
56.05021	0.9
57.17585	0.5
65.03928	1.8
65.75045	0.5
67.05494	1.8
68.99793	0.9
69.03427	0.9
69.07049	0.9
71.04974	0.7
71.60811	0.6
77.03919	2.0
79.05483	2.5
81.03425	5.1
81.07047	0.8
83.04977	0.7
85.02862	0.8
86.00650	1.1
89.31570	0.6
90.01549	0.5
91.05481	3.4
93.03441	0.9
93.07035	1.4
95.04969	3.7
95.08593	1.4
96.02118	1.8
97.01101	0.7
97.06547	0.8
98.98483	1.3
100.11318	0.5
103.05453	0.6
105.03397	7.2
105.07041	1.0
107.04951	4.0
107.08598	0.8
109.02884	26.8
109.06523	1.3
109.10146	1.3
110.03670	1.6
111.04436	9.5
116.01654	0.6
117.06964	0.6
119.04921	0.8
119.08590	1.5
119.29484	0.6
121.06512	1.3
122.03636	1.3
123.04420	2.8
125.02333	1.1
125.05993	2.2
126.03133	5.0
127.03911	0.9
129.07040	0.7
133.02859	58.4
134.03183	0.7
135.04413	3.2
135.54826	0.6
137.05980	13.0
137.09636	1.5
138.03116	6.1
139.03911	15.1
140.04695	2.9
141.05466	9.5
145.10147	0.6
147.04398	2.2
148.05228	1.0
149.02332	1.3
149.06007	1.6
150.03133	2.2
151.03911	2.5
152.01021	1.4
153.05470	48.6
154.05894	1.0
154.12273	0.7
156.05579	0.7
157.06461	1.4
161.02338	2.8
163.03836	1.4
165.05482	40.2
166.06223	4.5
167.03418	24.5
167.04814	1.1
167.07051	7.7
168.05705	0.6
169.04980	25.0
169.06392	0.9
177.05429	0.7
178.02605	2.4
181.05038	0.9
181.06514	1.3
184.05194	1.5
185.05965	1.3
193.04968	56.1
194.05597	3.4
195.04369	0.6
197.05881	0.6
199.07556	2.3
201.05524	0.8
209.04413	1.6
212.04697	2.1
212.11029	1.9
213.05406	2.7
215.03409	1.4
216.04128	0.7
218.02629	0.6
223.03893	0.7
227.06995	4.2
229.04971	1.1
230.12015	0.7
230.13988	1.2
231.06551	1.0
240.04219	0.7
241.05006	2.5
245.08022	2.8
255.06514	6.1
256.07166	0.8
257.04526	1.3
259.09689	2.1
268.03787	0.6
269.04517	0.8
272.06769	0.8
273.07538	5.8
275.09128	0.7
283.06021	3.3
285.03973	2.5
287.09131	1.4
288.10089	0.7
298.11191	0.9
299.05328	3.5
300.06290	10.0
301.03867	0.6
301.06976	1.4
305.10242	7.6
315.08636	13.4
315.12363	1.0
316.08914	0.8
333.09683	100.0
333.14264	3.1
334.10098	4.3
343.60388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71128	0.6
53.22842	0.6
53.83297	0.6
55.05513	7.6
57.03437	5.3
57.07076	62.6
58.06590	0.9
58.07384	2.4
62.69507	0.5
67.05505	17.0
68.03221	0.6
68.71731	0.6
69.06738	0.8
69.07073	10.1
70.06596	11.6
71.05002	0.6
71.06912	2.2
71.08633	43.3
71.30672	0.6
71.60084	1.1
72.08965	1.0
74.06085	0.8
75.04465	1.6
79.05475	1.5
81.06590	1.2
81.07057	21.5
82.36415	0.5
83.08151	1.0
83.08620	15.1
85.10183	21.9
85.37238	0.6
88.07633	12.8
89.06001	0.8
89.07949	3.2
91.05466	1.4
93.07022	1.4
93.33694	0.6
95.08609	30.1
96.08895	0.6
97.10171	8.0
98.98469	16.5
99.11750	1.2
102.09167	3.7
103.09508	1.3
105.07051	0.8
106.08662	8.0
107.09019	1.1
109.10156	15.7
111.11699	2.1
113.13219	0.8
116.99461	0.8
119.08497	0.6
121.10153	0.7
123.11705	6.9
125.13259	1.3
129.41235	0.6
133.10194	0.8
137.13251	3.0
139.14812	0.8
145.10100	0.7
149.13052	0.5
151.14818	1.2
159.11731	1.0
165.16447	1.3
174.99266	0.9
176.98927	1.6
210.52940	0.6
221.22655	1.2
239.23694	12.3
257.24640	3.3
313.27380	32.5
313.32773	6.5
314.27841	0.7
331.08109	2.5
331.34000	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	14.9
56.62878	2.5
57.03431	10.3
57.07077	100.0
67.05508	27.7
69.07059	15.7
69.28865	31.5
70.06563	5.6
71.08633	72.8
79.05493	5.1
81.07065	37.3
83.08603	25.2
85.10177	39.9
88.07635	11.6
89.07955	3.7
91.05489	6.8
93.07076	6.0
95.08611	51.4
97.10155	13.0
98.98466	75.5
99.11749	3.7
100.99021	3.1
102.09161	3.9
106.08685	7.0
109.10156	23.1
116.82797	2.6
119.08607	4.9
123.11697	9.6
125.13255	3.5
131.08525	3.8
133.10184	4.1
137.13287	5.0
139.14859	3.1
145.10060	3.9
149.13240	3.3
159.11662	3.4
176.98877	3.7
177.34662	2.8
221.22664	3.3
239.23686	17.5
257.24591	3.5
313.27396	55.7
313.32947	6.9
314.27789	3.4
316.05728	4.5
331.08084	14.9
331.34033	97.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.0
57.03433	5.5
57.07079	91.1
58.28879	4.6
67.05505	27.4
69.07056	20.4
71.08637	58.1
71.60650	9.2
79.05537	4.8
81.07054	39.3
81.56456	4.8
83.08624	22.9
85.10176	44.1
91.05480	4.9
93.07052	3.7
95.08608	52.0
97.10187	12.8
98.98465	100.0
105.07057	5.6
109.10172	28.9
112.39400	4.4
121.10092	4.6
123.11715	9.5
131.08585	6.4
133.10201	4.4
137.13254	6.8
145.10149	8.5
160.07344	3.7
176.98981	7.2
239.23741	25.4
257.24838	9.2
271.89014	4.4
313.27347	49.2
331.08072	22.0
331.22546	15.7
331.33981	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	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	12.2
55.73265	2.3
57.03435	5.4
57.07077	100.0
62.86895	1.9
67.05509	26.5
69.07062	13.9
70.06577	9.0
70.71432	1.9
71.08632	71.6
72.08958	1.8
75.04468	2.9
77.10266	1.9
81.07056	31.9
83.08617	23.7
85.10184	35.9
88.07635	14.9
89.07937	3.0
93.07028	2.7
95.08605	45.4
97.10168	13.5
98.98470	29.4
106.08636	6.5
109.10165	22.6
111.11728	4.4
119.08511	2.0
123.11681	13.6
137.13269	5.8
143.08510	3.1
151.31244	2.1
157.60791	2.4
159.86630	2.0
229.57120	2.4
239.23711	19.2
257.24817	5.5
313.27350	59.2
313.33008	5.9
313.42392	1.9
331.08133	5.0
331.18872	5.8
331.33978	96.9
339.50873	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41054	0.7
55.05496	0.8
56.96549	3.1
57.03432	1.4
62.90970	0.7
67.05492	1.1
69.07037	1.2
70.77296	0.7
79.05495	1.3
79.82192	0.8
81.07072	2.2
87.92419	0.7
91.05494	1.0
95.04960	0.8
95.08616	1.7
98.20768	2.5
98.98467	34.7
105.07042	1.5
107.04952	1.1
107.08593	1.1
116.99463	1.4
117.07028	1.1
119.08545	1.9
121.10017	0.8
126.65528	0.8
131.08528	1.0
133.10143	1.0
135.04420	1.0
137.05936	4.0
137.09550	0.9
145.10098	1.8
147.04395	1.4
155.08482	0.8
159.11647	1.5
161.05818	1.1
174.99268	1.3
176.98941	2.5
195.06558	1.7
229.41350	0.9
233.09439	0.8
239.72168	0.7
259.15189	0.7
259.21881	0.8
273.17197	1.1
307.44510	0.8
313.17838	1.3
316.05698	3.0
331.08276	8.0
331.11987	2.4
331.18814	100.0
332.19101	4.5
349.16986	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05508	1.5
56.96563	1.6
57.03430	1.6
57.98573	0.5
65.80058	0.5
67.05505	2.2
69.03425	0.5
69.07078	1.2
71.04968	0.6
71.60748	0.9
77.98974	0.5
79.05492	2.1
81.07053	1.9
83.04975	0.5
83.08611	1.0
85.02908	0.6
91.05485	4.4
93.07064	2.2
94.74052	0.5
95.04973	1.6
95.08611	1.9
97.06519	0.7
98.98466	20.1
105.07025	3.6
107.04960	2.1
107.08598	1.1
109.06536	1.1
109.10169	0.8
115.05484	0.5
116.99483	1.3
117.07030	3.8
119.08600	4.0
121.06479	0.9
121.10213	0.7
123.04461	2.0
123.31670	0.5
129.07022	1.7
131.08577	4.5
133.02852	2.1
133.10141	1.5
135.04488	2.4
135.05371	0.5
135.08026	0.7
135.11656	0.6
136.05235	0.5
137.02370	1.5
137.05969	2.6
139.03941	0.8
141.06984	0.6
143.08575	2.3
145.10110	5.9
147.04485	1.0
147.11758	0.7
149.02328	0.7
149.05989	1.5
151.07570	2.1
153.05449	0.7
155.08485	0.7
157.10124	2.9
159.11700	13.0
159.13023	0.7
161.06029	0.6
161.13266	0.9
163.03932	2.5
164.04729	2.2
164.08284	0.6
165.05516	3.0
167.07050	0.9
169.10127	1.0
171.11710	1.6
173.13287	2.1
174.99225	1.2
176.98982	1.6
177.05611	0.8
178.02673	1.1
179.07011	3.2
182.05763	1.8
183.11696	1.2
185.05951	0.7
192.04106	0.5
193.04930	4.3
195.06584	1.1
195.08267	0.6
195.09940	1.0
197.06238	0.7
197.08163	1.8
197.13243	1.4
207.06509	5.9
211.07593	1.2
211.14766	0.5
213.09767	1.0
221.04449	5.5
231.10838	2.1
237.05586	0.5
239.06906	1.1
239.17973	1.5
241.05005	0.8
242.05402	0.6
243.06526	1.2
253.08640	0.6
255.06528	0.8
257.18973	1.6
267.06577	0.7
271.09677	1.7
283.05740	0.6
285.07642	1.3
287.05478	0.8
288.06198	0.9
298.04840	0.6
299.05847	1.0
299.09164	3.7
300.09949	0.9
301.06998	1.0
303.12146	2.5
313.10916	0.6
313.21570	1.0
316.05716	2.6
316.09085	0.7
331.08109	10.1
331.11871	9.7
331.18832	100.0
331.22647	8.5
332.08463	1.0
332.12430	0.9
332.19156	5.3
332.22568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84018	1.2
55.01868	2.7
55.05508	1.6
56.96548	1.9
65.03929	2.0
67.05499	2.8
67.59547	1.4
69.03419	2.5
78.41257	1.3
79.05479	2.4
81.07034	5.7
83.04986	2.0
91.04895	1.6
91.05477	32.8
93.07049	3.5
94.04182	4.1
95.04974	10.3
97.06490	1.6
98.98460	24.1
99.29961	1.5
103.05462	5.8
105.07022	6.3
107.04941	7.3
107.08599	1.8
109.02847	1.7
109.06503	7.6
109.10129	1.9
109.99075	1.2
111.04446	1.7
113.06100	1.2
115.05454	3.1
116.99392	1.4
117.03364	1.9
117.06998	3.3
117.68941	1.5
119.04942	18.9
119.08536	1.6
121.06522	7.6
122.03624	9.7
128.06209	5.8
129.07007	16.9
131.04871	6.9
131.08585	2.0
132.48421	1.4
133.02849	1.8
133.06490	3.6
135.04385	2.1
135.08034	6.1
136.05180	4.7
137.05972	89.3
143.04927	1.9
144.05669	1.9
145.06477	2.5
146.03624	1.7
146.07295	2.0
147.04398	2.6
148.05132	1.7
148.19800	1.4
149.05974	12.8
151.03934	4.2
151.07542	100.0
152.06183	6.7
153.05495	1.3
153.06949	2.7
154.07770	2.3
157.06490	16.0
159.04391	1.7
159.07907	1.5
161.05983	19.5
161.09601	5.3
163.03870	1.8
163.07530	22.9
165.06992	15.2
165.09088	3.5
166.07768	3.4
167.07161	2.2
167.08536	18.9
168.05632	1.8
169.06459	5.9
172.65346	1.4
174.06737	8.7
174.99255	1.6
175.03880	1.7
175.07541	5.0
176.98830	1.5
177.05438	2.6
177.06944	2.1
177.09091	1.8
178.07761	7.3
179.08525	2.6
181.06490	5.5
182.07289	4.5
183.07985	3.2
185.05923	1.6
189.09087	34.2
192.09267	2.5
193.06459	7.4
193.08551	2.2
193.10088	7.8
194.07248	3.8
195.08057	27.2
196.05276	1.5
197.05994	7.8
199.07640	2.0
202.07797	1.9
203.08571	3.4
205.06569	3.1
206.07227	2.4
207.08199	2.3
207.10165	5.6
209.05963	4.4
209.09570	2.7
210.06760	12.6
210.14740	1.3
210.83966	1.3
211.07491	4.5
212.08330	5.6
213.05481	2.6
213.09152	3.0
215.06987	2.7
219.07964	1.6
220.08708	1.5
221.06030	12.7
221.09560	14.5
222.06616	2.0
223.07529	13.3
224.08301	6.6
225.05489	4.0
225.09167	10.8
227.07037	5.7
227.10655	28.2
228.04240	3.6
229.04849	1.6
235.07637	2.5
237.05504	1.9
237.09068	3.6
238.06233	6.9
239.06982	3.9
240.07864	3.8
241.04955	1.9
241.08611	3.0
241.12447	1.9
242.05782	2.0
243.06514	3.4
243.25934	1.4
245.04547	3.3
249.09134	7.9
251.07086	1.7
252.07779	2.3
253.08562	18.9
253.12192	16.7
255.06488	3.6
255.10168	37.4
256.07321	2.0
267.10135	5.4
269.08078	5.1
269.11447	1.7
270.05197	2.4
270.08786	2.4
271.05951	5.9
271.09570	3.0
272.10410	3.7
281.11673	5.6
285.11182	24.4
287.12762	49.3
299.05429	5.8
299.09030	3.8
299.12491	1.7
301.14127	2.5
313.14337	15.1
316.05685	7.8
331.08057	41.9
331.11752	21.7
331.15350	7.5
332.08444	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52280	1.0
55.01849	1.7
55.05505	3.9
57.03426	2.7
61.27657	1.0
65.03925	1.6
66.86606	0.9
67.05511	1.7
68.99752	1.0
69.03426	4.6
69.07054	1.5
70.64388	3.7
71.04982	3.6
74.53310	1.1
78.74210	0.9
79.05492	4.9
81.03406	3.1
81.07040	3.6
83.04977	1.5
83.08604	1.9
83.39088	1.0
85.02878	3.2
91.05479	31.1
93.07035	2.4
94.04169	4.6
95.04967	6.6
95.08613	1.3
97.02894	2.5
97.06496	1.5
98.98475	8.8
99.04482	1.4
103.05457	6.5
105.07053	6.5
107.04935	8.4
107.08605	1.3
108.02061	1.8
109.02879	1.6
109.06528	6.6
111.04441	2.6
111.08109	2.5
113.09666	1.5
115.05474	2.9
117.07004	1.7
119.04947	17.6
119.08594	1.3
121.06493	7.5
122.03658	8.3
123.04397	2.9
123.08049	2.2
125.05981	1.3
127.03920	2.7
128.06229	6.2
129.07008	17.1
131.04930	5.1
131.08578	2.6
133.06477	3.2
134.03616	1.5
135.04442	1.4
135.08064	7.2
136.01584	1.9
136.05183	4.5
137.05975	92.7
138.06322	2.2
139.07547	2.7
141.09106	2.8
143.04900	1.9
145.06485	4.6
146.03603	2.2
146.07275	1.4
146.27805	1.2
147.04427	2.4
147.08023	1.2
148.05148	2.0
149.05998	16.2
149.09549	1.2
151.03906	4.5
151.07545	100.0
152.06216	4.0
152.07901	2.1
153.07027	2.3
154.02611	4.4
157.06480	14.0
160.05162	1.3
161.05981	17.8
161.09619	5.0
163.03906	1.6
163.07556	21.7
165.06990	13.5
165.09135	3.6
166.07770	3.5
167.03418	1.9
167.08582	18.1
168.05583	1.4
169.06467	3.6
169.07733	1.4
174.06764	6.7
175.07533	4.7
177.06931	1.5
177.09174	2.5
178.07758	8.4
179.03337	1.1
179.08575	2.8
181.06480	6.4
182.02101	5.1
182.07246	4.7
185.05942	1.3
186.06718	1.3
187.07634	1.7
189.09103	35.7
191.08533	1.6
191.10606	1.1
192.09323	2.4
193.06451	7.9
193.10141	9.1
194.07330	4.3
195.05580	2.8
195.08047	26.2
196.08760	2.2
197.05844	5.7
197.09634	2.7
199.07611	1.2
200.03140	6.3
202.07680	1.2
203.08621	1.6
204.95642	1.1
205.06519	1.6
206.07245	1.2
207.08296	1.9
207.10066	6.8
209.05989	3.1
209.09656	4.2
209.11775	3.9
210.06731	11.4
210.10237	1.2
211.07506	5.2
212.08298	4.8
214.06282	2.4
219.08093	1.7
220.08746	1.8
221.05994	10.5
221.09612	12.3
222.06448	1.2
222.10124	1.4
223.07587	10.9
224.08368	5.3
225.05455	1.4
225.09035	12.0
226.03169	1.1
227.07175	2.3
227.10661	31.0
234.06877	2.0
235.07539	1.4
235.11063	1.4
237.09042	3.1
238.06134	6.5
238.09792	2.3
239.06947	1.8
239.10628	1.9
240.07716	2.8
241.08572	2.3
242.05713	3.0
243.06528	2.7
245.04544	2.1
248.08232	1.3
249.09079	7.1
251.07024	1.0
252.07852	2.8
253.08606	18.3
253.12241	18.1
255.06462	1.9
255.10170	34.3
256.10648	1.5
259.06107	3.1
260.06836	2.5
267.10153	6.9
269.08002	5.5
269.11792	1.8
270.05240	5.7
270.08887	1.9
271.06750	5.5
272.10425	3.3
273.03931	2.3
281.11700	7.2
284.03174	3.1
284.10336	1.9
285.08395	2.8
285.11279	20.4
287.05856	1.7
287.09573	2.7
287.12769	45.7
288.13049	1.9
295.07040	1.7
295.11722	2.3
298.11850	1.1
299.05612	5.8
299.08768	1.3
299.12720	2.6
313.08304	8.9
313.14423	11.9
316.05814	20.6
331.08139	87.8
331.11374	4.0
331.15320	5.6
332.08475	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01878	2.4
55.05499	1.2
57.03437	1.0
57.07076	1.3
65.03942	2.0
66.99593	1.0
67.05503	1.4
68.99789	1.6
69.03429	2.7
69.07066	2.2
69.35049	1.0
69.46672	7.1
69.47076	2.4
70.06599	1.3
74.68766	1.2
79.05502	2.4
81.03419	18.6
81.07053	3.8
83.04964	2.0
91.05479	29.2
94.04198	2.8
95.04967	6.7
97.02919	6.3
98.98470	24.5
99.04495	1.6
103.05461	3.2
105.07040	3.8
107.04961	7.5
109.02894	6.4
109.06520	6.0
111.04459	1.8
111.91999	1.1
115.05463	2.7
116.99540	1.4
117.07020	2.6
119.04951	16.4
121.06516	7.8
122.03648	7.1
123.08065	1.4
127.03960	2.8
128.06213	5.1
129.07007	16.3
131.04936	6.7
133.06499	1.7
135.04422	1.8
135.08067	4.5
136.05220	3.7
137.05983	82.6
141.07047	1.3
143.04900	1.6
145.06491	3.7
146.03647	1.7
146.07315	1.7
147.04413	1.4
147.08096	2.2
147.09210	6.7
149.05992	12.5
150.06737	1.0
151.03929	4.6
151.07547	100.0
152.06218	3.5
153.05473	2.1
153.06992	1.9
154.07787	1.6
156.05682	1.1
157.06505	12.3
161.05975	14.1
161.09601	3.2
162.06804	1.2
163.03905	2.3
163.07550	22.9
165.07048	11.2
165.09129	5.5
166.07846	2.3
167.07143	2.2
167.08548	16.8
169.06454	1.7
174.06787	6.6
175.07529	4.0
175.08736	4.0
176.98868	1.2
177.06985	2.0
177.09155	3.6
178.07838	6.5
179.08603	3.7
181.06447	6.8
181.08730	1.2
181.10307	1.1
182.07278	4.7
183.07990	2.1
184.08911	1.4
187.07587	1.6
189.09116	37.9
191.08447	1.4
192.09387	1.4
193.06540	7.1
193.08722	1.1
193.10184	8.7
194.07265	2.4
195.02913	5.3
195.08055	24.4
196.08789	2.5
197.06046	5.7
197.09715	2.0
202.07767	1.7
203.08521	3.3
205.06419	1.5
206.07297	2.6
207.08276	1.8
207.10187	6.4
209.06007	4.1
209.09619	3.3
210.06754	11.1
210.10361	2.0
211.07492	5.5
212.08286	3.7
213.09076	2.1
220.08797	1.7
221.06013	9.7
221.09547	11.2
222.06689	2.2
223.07552	12.5
224.08298	3.2
225.05705	2.5
225.09061	11.3
227.07079	3.4
227.10692	29.3
231.08121	1.9
234.06799	1.6
235.07678	1.3
237.05522	2.6
237.09232	2.9
238.06155	5.6
238.09915	1.6
239.07008	3.2
239.10657	2.4
240.07832	4.0
241.08719	2.7
241.12366	2.1
243.06407	1.8
249.09102	7.7
251.02081	1.2
252.07756	2.5
253.08640	15.8
253.12277	17.2
255.06551	3.4
255.10175	29.0
256.10562	1.4
266.09613	1.9
267.10291	6.8
269.08072	3.2
269.11789	3.2
270.08835	2.4
271.09665	2.3
271.13455	1.5
272.10461	3.4
273.16226	1.3
281.08932	1.3
281.11658	6.7
284.10345	2.1
285.08087	2.0
285.11182	21.2
287.12802	48.1
289.11929	2.1
299.09326	1.7
301.14328	2.3
313.11307	1.3
313.14423	14.8
331.08063	8.9
331.12256	8.9
331.17801	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	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
56.96545	3.3
57.03384	1.1
65.03926	2.4
67.05479	3.0
68.99766	2.7
69.03403	2.2
69.07056	2.2
70.86403	3.0
71.04988	1.8
79.05476	4.3
81.03441	1.8
81.07037	4.7
83.04998	2.4
85.02896	3.3
86.26900	1.3
91.05483	22.9
93.07045	4.5
94.04156	1.8
95.04951	5.9
95.08587	3.7
97.06538	2.2
98.97551	1.5
98.97703	1.5
98.98466	33.1
103.05459	3.3
105.07016	4.0
107.04960	8.3
107.08580	4.1
108.08963	1.8
109.06510	5.0
109.10091	1.5
111.04422	1.9
115.05418	1.8
116.98647	1.4
117.03339	1.3
117.07037	2.1
119.04939	11.0
121.06509	6.7
121.10116	1.9
122.03625	5.3
123.04406	3.0
123.08085	2.3
127.03892	1.6
128.06213	4.5
129.07011	10.8
131.04938	6.3
131.08528	3.3
133.06482	3.1
133.10126	1.5
134.03612	1.7
135.04391	2.6
135.08005	4.3
136.01581	1.6
136.05194	1.4
137.02295	1.9
137.05977	59.3
141.06894	1.4
145.06433	4.7
146.03621	1.6
147.04414	2.6
149.05959	9.3
150.03088	3.6
151.03862	4.7
151.07542	58.3
152.06177	1.9
153.01778	4.6
153.05394	1.6
153.07002	1.7
154.02536	3.9
155.06012	2.3
157.06479	8.6
157.60454	1.4
158.07262	1.5
161.05957	12.6
161.09567	2.7
162.17317	1.2
163.03931	1.4
163.07509	13.0
165.06972	9.1
165.09138	3.8
166.07761	1.9
167.03362	7.2
167.07169	2.4
167.08577	8.0
169.07642	1.7
174.06750	3.5
174.13585	2.1
174.99211	2.2
175.07465	2.4
176.98883	2.8
177.05421	3.4
177.09082	2.7
178.07785	5.5
179.03264	1.7
181.06468	2.6
182.02121	3.1
182.07190	1.9
183.08025	2.8
185.05865	1.5
186.06723	2.6
187.07553	2.1
189.09088	17.9
191.03452	1.8
192.09288	2.1
192.14627	2.0
193.06422	6.1
193.10138	5.5
194.07315	2.2
195.05521	3.5
195.08040	15.5
196.08731	1.7
197.06007	4.3
197.09599	1.5
200.03122	3.2
200.04823	1.4
203.08562	1.6
206.07239	1.9
207.08176	1.4
207.10219	3.4
209.05864	1.8
209.09578	3.7
210.06750	9.4
211.07524	4.9
212.08339	2.3
213.06653	1.9
214.06245	1.9
219.08064	1.5
221.05885	7.8
221.09625	7.4
222.06589	1.5
223.07416	6.9
224.08313	3.4
224.11797	1.9
225.06746	3.1
225.09067	7.8
227.07127	3.0
227.10641	14.0
228.04121	2.8
237.09032	2.7
238.06187	4.9
238.09973	1.9
239.07166	1.3
240.07680	2.0
241.04860	2.3
241.08513	2.0
241.12329	2.2
242.05794	6.8
242.12924	3.3
243.06471	4.8
245.04616	1.5
249.09032	4.4
252.07813	1.8
253.08546	10.1
253.12224	10.8
255.10217	19.1
256.03619	2.5
257.08041	1.9
259.05984	2.2
267.10178	4.3
269.08002	2.4
270.05185	5.7
270.08279	1.8
271.06238	8.1
271.09698	2.3
272.06375	3.2
272.10635	1.9
273.03876	2.7
273.06775	2.2
275.09097	5.0
281.11728	3.9
284.03256	1.4
284.10803	2.0
285.08270	7.7
285.11292	13.1
287.05838	2.3
287.12717	28.5
295.07095	3.2
295.15430	2.3
298.04675	3.0
299.05420	6.1
299.08893	3.1
299.12631	1.4
301.03128	2.2
313.08157	16.3
313.14328	5.9
313.17337	3.1
316.05786	20.4
331.08130	100.0
331.11716	9.0
331.15173	2.5
332.08255	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	331.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.92152	0.4
55.01878	0.8
55.05495	1.0
56.05032	0.8
56.96555	0.5
57.03421	1.1
57.04565	0.3
58.99583	2.6
62.08310	0.4
65.03922	1.4
67.05502	2.5
68.05023	1.7
68.99806	0.4
69.03417	1.1
69.07066	5.5
69.46056	2.4
69.46469	0.8
70.02972	0.4
70.06577	1.7
71.04965	0.5
72.08146	0.7
72.46583	0.4
74.00674	0.5
76.02219	3.4
77.61351	0.3
79.05490	3.3
79.17130	0.3
80.05005	1.4
81.03410	0.8
81.07053	10.5
82.06537	0.6
83.04972	0.5
83.06104	5.0
83.08603	0.6
84.04496	3.7
84.08130	1.3
85.01121	0.4
85.02895	1.1
86.00645	1.3
86.09694	2.6
86.99065	1.9
87.02707	3.1
89.03907	1.0
91.05453	1.1
92.04983	0.5
93.05783	0.7
93.07043	0.7
94.06567	15.7
95.04976	2.9
95.08618	1.8
96.04471	1.1
97.02877	0.8
97.06517	2.0
98.98465	15.8
99.04449	0.6
99.08080	0.9
100.98817	0.5
103.05453	0.6
105.00077	0.8
105.07010	0.9
106.06564	0.4
108.08107	2.2
109.06493	0.5
110.06042	4.1
111.08044	0.4
112.07593	2.3
114.05553	0.7
115.05790	0.4
116.04973	3.1
116.98668	0.5
116.99471	0.7
118.06547	1.0
119.01920	0.5
119.04970	0.6
120.04451	0.8
120.08080	0.7
122.06026	29.9
123.04427	2.0
123.06322	0.9
123.08085	1.0
123.11658	0.4
124.07564	1.2
127.03892	0.7
129.06586	7.5
129.07469	0.4
130.04964	1.0
130.06520	1.2
131.04994	0.4
132.04454	0.7
133.02850	0.8
134.06036	0.9
135.04419	0.4
136.07555	0.8
137.05983	1.5
137.09518	0.4
140.07060	40.4
141.07877	3.0
142.04918	0.6
142.08624	0.9
144.04430	8.1
144.05457	0.7
145.06628	0.4
146.06009	16.3
147.06447	0.5
147.08028	0.5
148.03998	0.6
148.07559	7.8
151.03914	1.1
151.07547	0.6
153.01828	0.5
154.04990	1.2
154.08672	0.8
156.08434	3.9
157.06688	2.9
158.05960	1.2
161.05977	0.5
162.05493	4.7
163.06194	0.4
164.07065	0.9
168.06586	0.6
169.04976	1.1
169.09761	1.0
172.03931	26.1
173.04337	0.8
174.05589	1.8
174.09447	2.7
174.99266	0.7
175.08658	1.2
176.98912	1.1
177.05492	0.6
181.06190	0.8
187.05394	0.9
190.04985	100.0
191.05511	2.6
192.06541	8.7
193.04996	0.5
200.13948	1.2
204.81343	0.4
210.11241	2.2
218.10324	0.5
221.09131	0.6
225.09061	0.7
229.05025	0.4
233.05858	2.2
234.04201	0.4
237.02841	0.4
242.11751	0.6
245.06065	0.4
247.05949	0.4
268.09674	0.4
271.06281	0.4
271.09686	0.6
275.54483	0.3
285.12396	1.1
286.10803	1.5
295.10941	0.5
299.05615	0.4
313.11890	4.8
314.10919	0.6
331.04764	0.7
331.08444	1.2
331.13052	20.5
332.13110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1177
Annotation	Pterolinus F
Peak:m/z	Relative Intensity
50.62039	1.0
53.03960	1.2
55.01868	2.1
55.05499	1.8
56.96565	2.0
57.03431	1.3
60.14948	1.1
65.03957	1.5
67.05492	3.2
68.99793	4.4
69.03427	2.1
69.07064	1.7
69.91346	5.7
79.05481	7.2
81.03404	1.4
81.07059	4.8
83.04980	2.4
85.02919	2.1
91.05479	9.2
93.07034	3.0
95.04953	6.9
95.08584	2.2
97.06569	1.5
98.20745	1.2
98.98468	31.2
98.99114	1.8
103.05442	1.6
103.27509	1.1
105.03409	2.4
105.07033	4.0
107.04960	9.3
109.06529	7.8
109.10124	2.5
111.04460	2.3
115.05441	2.2
116.99548	1.5
117.07050	2.1
119.04945	6.5
119.08591	1.5
121.02846	1.3
121.06508	4.1
122.03625	1.7
123.04421	10.7
124.05208	2.1
125.05972	1.3
129.07030	1.4
131.08578	2.6
133.02885	2.3
133.06509	1.7
133.10101	1.5
135.04420	3.2
135.08109	1.6
136.05135	1.5
137.02379	1.6
137.05978	17.0
138.06778	3.4
139.03883	3.0
139.07547	1.1
140.04691	1.5
141.06985	2.7
143.08537	1.3
145.10155	7.1
147.04407	67.4
148.04861	2.4
149.02325	1.5
149.05946	2.7
150.03125	2.2
151.03877	2.2
151.07515	1.4
152.04909	1.3
153.05479	5.4
153.07056	1.5
154.06284	2.5
155.07011	2.5
155.08551	1.5
157.06448	1.9
159.11681	1.3
160.05130	1.9
161.05972	8.5
161.09532	1.2
163.03905	4.2
165.05586	2.0
165.07024	2.2
167.03409	23.0
167.04726	1.7
167.07062	1.6
168.04146	2.1
168.05609	1.8
169.04979	3.9
169.06403	1.7
169.08606	2.1
170.05684	2.3
171.04465	2.5
171.08110	1.7
172.05086	1.7
173.06049	1.6
174.99263	1.3
176.98929	2.8
177.05492	3.7
179.07036	1.2
181.06512	2.2
182.05751	45.6
183.06563	12.5
183.08054	2.1
184.05165	1.4
184.07155	1.5
185.05977	5.2
185.08015	1.6
187.07585	1.9
191.03381	3.2
193.04971	1.6
196.05197	2.0
197.06035	7.1
197.08066	38.5
198.06657	2.7
198.08488	1.9
199.03908	5.5
199.07513	3.3
201.05475	2.0
205.04945	1.4
206.05678	1.9
206.81282	1.1
209.05858	2.5
210.06815	3.8
211.07581	5.6
212.04669	2.3
212.08101	1.1
213.05458	11.6
214.06223	1.4
215.07010	4.0
217.04982	2.7
219.06520	3.8
221.07991	7.9
224.04691	2.1
225.05466	4.3
225.09201	1.1
226.06108	2.1
227.06978	7.7
228.04210	3.5
228.07750	1.7
229.04875	1.7
229.08626	3.7
231.06496	1.4
237.05551	2.6
238.06194	3.4
239.06999	9.2
240.04128	2.7
240.07832	3.9
241.04926	11.1
241.08673	1.3
242.05682	3.3
243.06538	12.9
243.10258	1.9
245.04474	2.1
245.08128	1.7
252.04042	1.4
253.05115	2.8
253.08623	2.1
254.05765	1.8
255.06502	13.5
255.09111	1.8
256.03708	1.3
256.07272	8.0
257.04474	1.6
257.08066	8.0
258.05118	3.9
259.05881	1.7
266.05640	2.8
267.06567	10.7
268.07242	7.3
269.04449	11.5
269.07956	3.3
270.05081	4.1
270.08423	1.5
271.06149	12.6
271.09271	9.6
272.06464	1.2
273.03964	1.5
273.07596	8.3
275.09161	2.0
283.05804	10.4
283.09329	1.8
284.06497	9.5
285.04260	2.0
285.07547	15.7
286.04617	4.8
287.05850	1.3
288.06485	1.3
288.09930	3.3
298.04727	2.1
299.05502	4.7
299.09070	36.7
300.09766	15.1
301.03610	1.2
301.06989	26.5
302.07501	1.3
303.08896	1.9
303.12326	10.9
313.07211	1.6
315.08389	2.2
316.05756	8.8
316.09186	33.9
317.09601	1.6
331.08075	59.3
331.11749	100.0
331.22263	2.2
332.08432	4.0
332.12131	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	331.081
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
51.15480	0.3
52.55281	0.3
53.03939	0.4
55.01870	0.6
55.05487	0.3
56.96550	0.4
61.02909	0.3
65.03932	0.3
67.05502	0.6
68.99772	0.6
69.03439	0.8
69.07062	0.6
70.04486	1.8
71.04971	0.6
79.05486	0.8
81.03407	0.4
81.07048	1.2
83.04971	0.5
85.02919	0.6
85.06561	0.3
91.05461	1.6
92.02638	0.6
93.07044	0.9
95.04954	0.8
95.08611	0.5
98.20779	0.3
98.63881	0.4
98.98464	8.0
100.11234	0.4
103.05435	0.4
105.03422	0.8
105.07015	0.9
107.04967	0.7
107.08585	0.9
108.02124	0.5
109.02882	0.4
109.06508	0.6
109.10139	0.8
111.04439	0.4
115.05462	0.6
119.04931	1.0
119.08584	0.5
120.02060	0.8
121.02854	0.4
121.06515	0.6
121.10153	0.7
123.04418	1.0
123.11678	0.6
125.05965	0.3
129.06990	0.5
131.04901	0.5
131.08589	0.5
133.02881	0.8
134.03653	0.8
135.04404	1.5
137.02359	1.2
137.05981	3.8
138.03110	0.5
139.03900	0.7
141.07011	0.5
143.08621	0.3
144.05618	0.3
145.02827	0.6
145.10190	0.6
147.04451	0.7
147.11649	0.3
149.02341	0.6
149.06010	0.8
150.03119	2.4
151.03896	1.2
151.07509	1.5
152.01050	0.5
153.01797	1.0
153.05498	0.7
153.06998	0.5
154.02588	0.8
155.04945	0.8
155.08508	0.4
157.06523	0.8
159.11687	0.5
161.05905	0.4
161.13202	0.4
164.04692	0.6
165.05521	0.8
165.06921	0.9
166.02669	0.7
167.03416	9.1
167.07048	0.4
168.05719	0.8
169.01341	0.8
169.06456	0.8
171.08047	0.4
172.05203	0.5
175.03893	1.1
175.07538	0.4
176.98914	0.7
177.05475	0.9
179.03445	0.7
179.07037	0.8
181.06526	1.2
182.02113	0.8
182.07288	0.4
183.02934	0.8
183.04356	0.7
183.08090	0.6
184.03659	1.1
184.05174	0.8
185.00845	0.7
185.06062	0.5
186.01579	0.8
186.06694	0.7
187.07466	0.8
189.09129	0.4
191.03397	1.2
193.05087	0.5
194.02155	0.8
195.02832	0.6
195.08012	0.6
196.05208	0.9
197.05876	1.8
198.06714	0.5
199.07608	0.4
200.03201	0.7
200.04700	1.5
201.05411	0.9
207.06348	0.5
209.05719	1.2
210.06781	0.8
211.03836	1.0
211.07527	0.8
212.04677	0.8
213.05501	0.9
214.06238	0.8
215.07062	1.5
216.58968	0.3
217.04987	2.4
218.05682	0.7
219.06551	1.5
223.06128	0.5
225.05463	0.6
225.09151	0.6
227.07043	1.3
227.10735	0.4
228.04202	3.9
228.07729	0.4
229.04968	1.2
230.05869	0.5
238.06255	0.5
239.03392	0.5
240.04225	0.6
241.04962	0.9
241.08464	0.5
242.05716	2.7
243.06555	6.5
245.04445	9.1
247.06059	0.6
253.08601	0.4
254.05777	0.6
255.02956	0.9
255.06474	1.3
256.03665	1.6
256.07159	0.7
257.04407	0.6
257.08044	0.7
259.06061	1.3
260.06830	1.0
269.04446	0.5
270.05240	2.8
270.08478	1.0
271.06021	6.6
271.09589	1.4
272.06641	0.4
273.03946	8.0
273.06757	0.3
275.09146	2.3
284.03174	1.9
285.04236	0.6
285.07639	2.8
287.05554	1.1
287.12836	0.6
288.06271	0.7
298.04657	2.5
299.05499	5.1
299.09146	1.1
301.03433	7.9
301.06729	0.7
303.08716	0.8
313.07129	1.6
315.05051	2.3
316.05780	27.9
316.09024	2.3
317.06165	0.6
331.08130	100.0
331.11652	8.7
331.20972	1.3
332.08524	3.2
335.32101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin
Peak:m/z	Relative Intensity
55.05494	0.4
60.41387	0.4
65.03929	0.6
67.05500	0.6
70.18613	0.4
76.72709	0.4
79.05487	0.9
81.07058	1.1
83.04947	0.5
84.70367	0.4
89.19828	0.4
91.05483	1.5
93.07063	0.6
93.76646	0.4
95.04948	1.5
95.08609	0.9
98.98473	7.1
105.07030	0.5
107.04947	0.6
111.04494	0.7
112.66760	0.5
116.99461	0.5
119.08623	0.8
121.10136	0.6
122.03619	0.6
123.04433	3.0
123.11723	0.7
127.03964	0.5
128.06248	0.7
129.07025	0.7
131.04913	0.6
131.08539	0.6
133.02850	0.9
137.05981	11.6
137.96422	0.4
139.03911	0.7
139.05441	1.1
141.07016	1.7
144.05673	0.6
145.10077	0.8
147.04408	0.5
149.05995	0.6
151.03891	1.4
151.07581	1.7
153.05521	0.7
153.06969	0.6
155.04897	3.2
161.06017	0.6
163.07426	0.4
165.05560	0.9
165.06975	1.0
167.03494	0.6
167.04863	0.5
168.05756	1.4
169.06464	3.5
171.04407	1.0
172.05225	1.3
175.07516	0.4
176.98987	0.6
177.05466	1.1
179.03404	4.4
181.04994	0.4
181.06514	1.2
183.04424	4.3
183.08141	0.7
184.05209	2.0
185.06027	0.5
187.07559	1.5
193.04987	1.0
195.04367	0.6
195.08115	0.5
196.05212	1.6
197.05975	5.0
199.03915	2.3
200.04645	3.2
200.07837	0.4
203.03395	0.7
205.04959	1.1
210.06720	0.7
211.03882	3.8
211.07581	1.1
212.04692	3.3
213.05489	1.3
214.06277	4.2
215.07005	1.6
217.04979	0.8
223.03922	0.8
223.07454	0.5
224.04808	0.6
225.05511	2.1
225.09131	0.6
226.06270	0.9
227.03429	2.6
227.06984	2.8
227.14299	0.5
228.04189	10.7
229.04947	2.9
229.08524	3.2
237.03926	0.8
239.03365	2.1
239.07065	0.7
241.04970	0.8
242.05740	6.4
243.06546	18.5
245.04449	3.2
252.04123	0.6
253.04991	1.5
255.06425	1.4
255.10365	0.8
256.03760	1.3
257.04370	1.0
257.08167	2.8
259.06042	2.1
260.06808	1.7
267.02969	1.3
270.05270	2.4
270.08047	0.5
271.06055	13.3
271.09341	0.9
272.06674	0.8
273.03973	5.5
275.09152	32.1
284.03168	0.7
285.07581	15.5
285.10751	0.5
287.05780	0.5
287.12878	0.6
288.06287	1.8
299.05566	6.8
299.09033	1.2
301.03400	0.6
303.08633	5.0
313.07043	1.9
313.10413	0.5
316.05783	6.3
316.09036	1.1
331.08133	100.0
331.11575	6.5
332.08496	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	331.0813
Annotation	6-Hydroxykaempferol 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.03698	0.4
59.35005	0.4
68.99796	0.5
71.26978	0.6
71.27304	0.6
76.06717	0.4
78.33423	0.4
98.98459	3.4
105.03437	1.1
107.04909	0.8
107.08617	0.5
108.02077	2.0
131.04906	0.5
133.02873	0.7
134.03650	1.6
135.04456	0.5
137.06003	0.5
139.00165	0.4
148.05154	0.8
150.50911	0.4
154.02570	0.5
168.00526	1.0
168.05739	1.2
169.01346	1.3
171.04440	0.7
175.03926	0.7
185.00801	1.2
186.01561	1.5
186.91583	0.5
196.05266	0.5
199.03972	0.5
213.05536	0.9
214.06302	0.9
217.04922	0.7
224.04648	0.6
227.03549	0.7
231.03046	0.6
241.04959	0.7
242.05716	5.4
245.04436	11.4
256.03662	2.5
257.04431	0.8
259.05991	0.6
269.04407	1.8
270.05255	13.7
271.05920	1.4
273.03925	12.6
284.03156	3.4
285.03854	1.2
287.05566	3.0
288.06165	0.9
297.03827	0.6
298.04715	12.3
299.05350	2.8
301.03433	7.9
315.05032	3.8
316.05768	42.2
317.06140	0.8
328.77115	0.4
331.08112	100.0
332.08432	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Dillenetin
Peak:m/z	Relative Intensity
53.10665	0.4
55.94165	0.4
58.66194	0.4
68.99792	1.0
98.98467	1.4
105.03364	0.9
107.04985	0.7
127.00246	0.5
131.04938	1.6
133.02873	0.8
135.04408	0.4
137.05991	0.6
145.10124	0.7
147.30313	0.4
148.05208	1.0
159.04541	0.4
160.01886	0.4
163.03931	0.9
168.00571	1.2
169.01311	1.5
175.03925	1.0
185.00826	1.5
186.01576	1.7
187.07794	0.4
194.02130	1.5
196.32932	0.4
199.04039	0.6
203.03505	0.5
217.04921	1.0
227.03391	0.8
239.00049	0.8
245.04471	24.4
246.04915	0.9
255.02937	1.2
256.03720	1.7
260.06857	0.6
269.04465	1.0
270.05170	1.5
270.67419	0.5
271.06055	1.3
273.03940	21.1
284.03076	1.0
285.07492	0.8
287.05551	2.6
297.03983	0.6
298.04761	3.2
299.05536	1.6
301.03436	19.5
302.03873	0.6
313.07251	0.4
315.04959	5.3
316.05777	44.9
317.06110	1.5
331.08118	100.0
332.08508	3.6
352.71442	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03922	0.2
57.03414	0.2
61.68613	0.1
63.31004	0.1
65.03902	0.2
68.99792	1.2
69.03384	0.5
69.53989	0.5
69.54406	0.6
79.05437	0.5
81.07010	0.2
85.02823	0.1
91.05476	1.7
95.01325	0.2
95.04916	0.3
98.03661	0.1
98.21465	0.3
98.98473	1.1
105.03341	0.5
107.04399	0.1
107.04940	1.3
108.02094	1.3
109.02858	0.2
115.05428	0.2
119.04897	0.4
120.02016	0.2
121.06493	0.3
123.04398	0.3
125.02311	0.5
126.03152	0.2
129.07001	0.2
131.04865	0.4
133.02838	0.3
134.03606	1.4
135.00726	0.2
135.04398	2.1
136.01550	1.7
137.02354	1.2
137.05905	0.6
139.00203	0.5
140.06143	0.2
141.01753	0.2
144.05693	0.3
145.06493	0.2
147.04340	0.2
149.55110	0.2
150.03084	0.2
151.03853	0.3
151.07510	0.2
152.01088	0.2
153.01826	2.0
153.05411	0.2
154.01360	0.3
154.02597	5.8
155.02950	0.2
155.04933	0.2
157.06459	0.3
158.07187	0.5
159.04399	0.4
161.06004	0.2
163.03883	1.5
164.00995	0.4
165.05502	0.7
165.06749	0.1
167.03311	0.2
168.00566	0.3
168.05664	0.6
169.01347	0.3
169.06476	0.2
171.02812	0.4
171.04295	0.2
172.05150	0.4
175.03915	0.8
178.02536	0.2
179.03418	0.2
181.04872	0.2
182.02090	6.2
183.02902	2.5
183.04413	0.4
185.05984	0.4
185.62695	0.2
186.01646	0.3
186.06720	1.9
189.05412	0.3
193.04927	1.5
195.06537	1.1
196.05072	0.4
197.05975	0.6
199.02341	1.4
199.03926	0.4
200.03139	6.1
200.04713	0.6
201.05496	0.2
203.06918	0.3
211.03935	0.3
213.05493	0.8
214.06224	1.7
215.06989	0.5
217.04985	0.6
221.04428	5.3
224.04739	0.3
225.05424	0.3
227.03333	0.3
228.04216	0.7
229.04889	0.5
231.06499	0.6
232.07242	0.8
241.04922	0.4
242.05713	3.5
243.06505	1.5
244.03687	0.4
245.04437	2.6
246.05099	0.2
255.02879	0.3
256.03616	1.1
259.06024	4.8
260.06772	2.4
268.03647	0.3
269.04498	0.4
270.05225	7.3
270.08206	0.3
271.05994	3.9
273.03934	2.3
275.09128	0.5
280.03580	0.2
284.03143	1.4
285.07404	0.4
287.05536	1.5
288.06299	1.1
298.04715	3.5
299.05484	3.7
299.08871	0.1
301.03467	1.6
301.06857	0.3
303.08514	0.5
313.06808	0.2
315.05075	0.9
316.05759	26.5
317.06149	0.8
331.08099	100.0
332.08456	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	331.0812
Annotation	Malvidin
Peak:m/z	Relative Intensity
68.99777	1.5
69.03423	0.4
69.07060	0.3
71.15511	0.7
76.37121	0.3
89.03962	0.4
91.05473	1.0
98.98466	1.6
106.39571	0.3
107.04966	0.5
108.02103	1.8
119.04940	0.4
125.02327	0.3
133.02847	0.4
134.03648	1.3
135.84830	0.3
136.01537	2.3
136.14001	0.3
137.02327	0.4
140.06310	0.3
148.05235	0.3
153.01825	1.9
154.02592	5.3
155.04961	0.3
158.07300	0.4
164.01117	0.3
168.05673	0.6
172.05203	0.3
175.03973	0.8
182.02080	6.8
183.02895	1.8
183.04262	0.4
185.05969	0.6
186.01758	0.4
186.06779	2.1
196.05229	0.4
197.05995	0.5
199.02350	1.5
199.04007	0.4
200.03163	6.0
200.04683	0.5
213.05402	0.5
214.06229	1.7
217.04927	0.5
225.05489	0.4
227.06969	0.3
228.04114	0.5
229.04927	0.4
231.06641	0.5
232.07378	0.8
241.04929	0.4
242.05777	3.9
243.06497	1.9
244.03633	0.4
245.04489	1.7
253.04761	0.3
255.02751	0.4
256.03641	1.5
259.06027	5.0
260.06778	2.1
269.04495	0.5
270.05215	6.3
270.07935	0.5
271.06042	2.6
273.03915	1.8
284.03159	2.9
287.05499	1.2
288.06223	0.7
298.04703	2.6
299.05508	4.8
301.03436	0.7
315.04929	1.1
316.05765	24.5
317.06339	0.5
331.08115	100.0
332.08392	2.6
348.21503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01849	0.2
55.05481	0.2
61.91162	0.2
67.01827	0.1
67.05476	0.2
68.99786	0.9
69.03395	0.4
69.07015	0.1
71.19862	0.3
79.05471	0.3
81.07005	0.2
83.04964	0.3
84.02082	0.2
85.02865	0.1
90.22664	0.2
90.67579	0.1
91.05484	1.4
93.07037	0.2
95.04941	0.3
95.08582	0.2
97.06534	0.1
98.98473	2.3
100.11212	0.3
105.03373	0.3
106.04111	0.3
107.04908	0.4
107.08544	0.2
108.02109	1.5
109.02843	0.2
109.06494	0.2
115.05459	0.2
119.04882	0.2
121.02756	0.2
121.06447	0.3
121.10058	0.2
123.04409	0.3
125.02295	0.5
129.06955	0.2
131.04906	0.5
134.03659	1.4
135.04399	0.4
136.01567	1.9
136.05168	0.2
137.02313	0.3
137.05991	1.3
139.00237	0.3
140.06155	0.4
147.04370	0.3
148.05188	0.3
149.05943	0.3
151.03902	0.3
151.07504	0.5
153.01852	1.6
153.06972	0.2
154.01392	0.3
154.02618	5.2
155.04875	0.2
157.06491	0.3
158.07236	0.3
159.04396	0.4
161.05995	0.3
164.01028	0.3
168.00504	0.2
168.04312	0.2
168.05687	0.8
169.01308	0.3
169.06409	0.4
171.02853	0.4
171.04286	0.2
172.05185	0.3
175.03908	0.9
181.06374	0.2
182.02092	5.2
183.02905	2.6
183.04387	0.4
183.08063	0.2
184.05222	0.2
185.05942	0.5
186.01662	0.3
186.06767	1.8
187.03676	0.2
189.05405	0.3
195.02870	0.3
195.05635	0.2
195.08125	0.2
196.05217	0.4
197.05972	0.4
199.02322	1.2
199.03917	0.5
200.03148	6.7
200.04628	0.4
203.03374	0.3
207.11461	0.4
209.21667	0.2
211.07413	0.2
213.05437	0.7
214.06238	1.5
215.06947	0.5
217.04942	0.6
224.04715	0.3
225.05501	0.3
225.09148	0.2
227.03404	0.2
227.06970	0.4
228.04158	0.8
229.04904	0.2
231.06531	0.4
232.07300	0.6
238.06248	0.2
239.03423	0.2
241.04924	0.4
242.05742	3.5
243.06532	1.5
244.03729	0.5
245.04442	3.6
252.04221	0.4
253.05005	0.3
255.02875	0.3
255.06369	0.2
256.03619	1.1
257.04501	0.2
257.08005	0.2
259.06046	4.3
259.08771	0.3
260.06821	2.2
268.03653	0.3
268.86374	0.1
269.04477	0.6
270.05243	6.6
271.05957	3.6
273.03961	2.9
275.09106	0.9
284.03210	1.3
285.04364	0.2
285.07715	0.6
287.05518	1.6
287.12711	0.2
288.06412	0.7
295.07150	0.3
298.04712	2.8
299.05545	3.5
299.08972	0.4
301.03442	2.5
303.08640	0.4
313.07898	0.7
315.04993	1.1
316.05786	26.5
317.06015	0.8
331.08130	100.0
332.08447	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	5,4',5'-Trihydroxy-6,2'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01869	0.2
57.03438	1.2
65.03932	0.2
67.05486	0.2
68.99780	0.3
70.17022	0.7
71.04986	0.2
79.05472	0.2
81.03431	0.2
81.07076	0.2
83.04978	0.2
85.02905	0.9
91.05472	0.4
95.01262	0.1
95.04951	0.4
95.08612	0.2
96.02103	0.6
98.98473	1.5
105.03371	0.4
106.17408	0.1
107.01350	0.2
107.04964	0.3
109.02886	0.2
109.06521	0.2
111.04442	2.8
119.04919	0.3
120.02015	0.2
121.02836	0.3
121.06494	0.3
122.03634	0.4
123.00780	0.9
123.04391	0.2
129.06995	0.2
131.04872	0.2
133.02838	0.5
134.03679	0.2
135.04416	2.8
137.05977	0.9
138.03093	0.3
139.03906	1.9
144.05672	0.6
147.04405	0.3
147.08116	0.2
149.02350	0.5
150.03111	2.5
151.03922	1.8
151.07524	1.0
152.01048	0.6
152.27495	0.2
155.04926	0.7
161.05995	0.3
162.03107	0.5
163.03859	0.4
163.07507	0.2
164.04683	0.9
165.05492	0.3
165.07001	0.2
167.03400	14.6
169.06567	0.2
171.04381	0.3
172.05171	0.8
175.04002	0.2
176.00961	0.3
177.01807	0.3
177.05461	1.3
179.03409	1.7
183.04478	0.8
184.03658	2.4
184.05183	0.6
186.03169	0.2
186.06761	0.2
187.03894	0.5
187.07515	0.4
189.09102	0.3
190.06313	0.2
191.03378	4.7
193.04970	0.9
194.02090	0.4
195.04362	0.3
195.08054	0.3
197.06044	0.4
199.03865	0.3
200.04677	4.8
201.05406	0.6
202.02641	0.4
203.03426	0.3
204.04077	0.5
205.04987	1.0
211.03973	1.1
211.07571	0.2
211.96060	0.2
212.04671	1.0
213.05394	0.4
214.06241	1.1
215.06993	0.7
217.04947	4.4
218.05727	2.3
219.06502	5.3
219.08556	0.3
223.04037	0.2
223.05922	0.8
225.05359	0.4
226.06245	0.3
227.03387	0.6
227.06992	0.8
227.10574	0.3
228.04169	6.7
229.04866	0.9
231.06485	0.2
232.39824	0.2
233.08145	0.2
239.03426	1.0
240.04153	0.8
241.04851	0.4
241.08569	0.2
242.05676	2.0
243.06522	12.6
244.07071	0.4
245.04460	1.6
246.05208	0.4
247.06020	1.3
254.05740	0.3
255.02908	0.5
255.06581	0.9
255.10242	0.3
256.03619	2.6
257.04391	0.5
257.08069	1.4
259.05875	0.2
260.06775	0.2
261.07648	0.3
267.02951	0.5
270.05322	1.2
270.08151	0.2
271.06009	13.6
272.06516	0.5
273.04044	0.2
275.09131	1.1
283.02319	0.8
284.03152	4.5
285.07599	2.5
285.10715	0.2
287.05530	0.3
287.09171	0.2
287.12717	0.3
288.06281	0.4
298.04681	2.7
299.05511	11.4
300.05878	0.4
303.08591	0.2
313.07013	1.5
316.05771	6.7
316.08868	0.3
331.08105	100.0
332.08447	2.2
332.12009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Jaceosidin
Peak:m/z	Relative Intensity
51.67241	0.3
55.01874	0.4
56.94540	0.3
57.03431	0.7
67.01854	0.8
67.05502	0.4
68.99791	0.5
69.03411	0.5
70.17075	1.4
79.05486	0.4
81.07037	1.0
81.69144	0.3
85.02915	0.6
91.05472	0.8
93.07035	0.5
95.01302	0.4
95.04932	0.5
95.08633	0.4
97.23712	0.3
98.98462	6.9
100.33679	0.3
105.03390	1.2
105.07019	0.5
107.04908	0.3
109.10138	0.4
111.04437	1.2
119.08560	1.0
121.02892	0.5
121.06481	0.6
123.04370	0.4
125.02348	0.4
128.06230	0.9
131.04903	0.4
131.08508	0.6
133.02837	1.1
133.10112	0.4
134.03693	0.3
135.04416	2.2
137.06010	0.6
138.03090	0.8
139.03888	1.5
144.05722	0.7
145.02837	2.5
145.10146	0.5
147.04390	0.5
150.03117	4.7
151.03839	0.6
153.05464	0.6
155.04900	0.8
157.10219	0.3
159.08075	0.6
159.11652	0.4
161.05968	0.5
163.03873	0.8
165.05469	0.5
167.03400	25.2
168.03712	0.3
176.98889	0.9
177.01842	1.0
177.05490	1.3
177.73102	0.4
183.04460	0.4
184.03711	0.6
184.05104	0.6
185.04506	0.5
186.95381	0.3
187.03981	0.5
187.07538	1.3
190.06212	0.8
191.03383	2.4
193.04939	0.4
194.02049	0.6
198.06720	0.3
200.04668	2.6
201.05493	0.7
205.04962	3.2
205.14029	0.4
206.05666	0.4
211.03856	0.5
211.07396	0.3
212.04753	0.6
213.05438	0.6
214.06181	0.4
215.06918	2.1
217.04926	4.1
218.05733	3.7
219.06505	7.9
223.06036	0.8
223.12115	0.3
225.05405	0.3
227.07072	2.2
228.04189	2.7
229.04985	1.3
231.06416	0.5
242.05734	1.4
243.06520	27.4
244.06981	0.7
245.04384	1.4
246.05136	0.4
247.06117	1.5
253.04974	1.0
255.06458	0.6
256.03696	0.7
257.08173	0.5
259.05920	0.6
261.07602	1.6
269.04260	0.4
270.05249	0.9
271.06021	21.9
272.06329	0.8
273.03772	0.6
275.09137	2.1
285.07404	1.5
287.05441	0.4
288.06259	0.8
298.04758	1.7
299.05515	5.7
300.06107	0.5
303.08548	1.4
313.06873	1.0
315.04956	0.9
316.05753	12.3
331.08105	100.0
332.08551	2.9
339.96106	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	5,4',5'-Trihydroxy-6,2'-dimethoxyflavone
Peak:m/z	Relative Intensity
50.29856	0.2
60.24701	0.3
68.99787	0.5
69.44963	0.3
69.91775	1.8
81.07032	0.3
84.45047	0.3
90.08267	0.3
91.05474	0.3
96.02055	0.3
98.98439	0.9
99.98966	0.3
100.44586	0.3
105.03408	0.5
107.01315	0.3
109.56832	0.3
111.04430	1.4
119.04919	0.3
123.00791	0.7
123.04427	0.4
133.40521	0.3
135.04420	1.3
137.06006	0.6
138.03091	0.4
139.03891	1.0
149.02351	0.7
150.03122	9.4
151.03871	0.4
152.01068	1.1
153.01808	0.3
155.04843	0.4
164.04671	0.9
167.03409	17.7
169.01387	0.6
170.61897	0.3
171.04453	0.4
172.05238	0.4
175.04004	0.3
179.03374	0.3
183.04425	0.8
183.94402	0.3
184.03697	1.8
186.03119	0.4
186.06726	0.3
191.03429	2.8
197.05971	0.5
199.03896	0.9
200.04662	1.6
211.03883	0.7
212.04700	0.7
214.06297	0.9
215.06992	0.7
217.04996	0.9
225.05522	0.4
227.03387	1.0
227.07065	1.2
228.04152	3.6
229.04820	0.7
231.06525	1.7
239.03445	0.4
240.04231	0.6
241.04961	1.6
242.05745	6.8
242.08205	0.3
243.06526	5.4
245.04472	1.0
250.09700	1.0
254.05775	1.0
255.02917	0.6
255.06557	0.4
256.03732	1.6
257.08047	1.1
259.05994	0.5
267.03015	0.4
270.05231	3.6
271.06003	5.3
275.09094	2.3
282.05328	1.8
283.02615	0.5
283.06003	0.9
284.03247	1.4
285.07602	5.1
288.06125	0.5
298.04745	1.3
299.05518	4.4
303.08652	0.4
313.07065	3.1
314.03955	0.5
315.05142	0.9
316.02014	0.4
316.05786	13.5
331.08127	100.0
332.08459	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	Jaceosidin
Peak:m/z	Relative Intensity
53.03941	0.2
55.01846	0.2
65.03938	0.3
67.05491	0.4
68.49895	0.2
68.99784	0.5
69.03392	0.2
69.07039	0.2
70.52413	0.4
79.05499	0.2
81.07056	0.4
91.05458	0.7
93.07034	0.2
94.04177	0.2
95.04961	0.3
96.02100	0.4
98.98461	2.3
105.03385	0.4
105.07003	0.2
107.04924	0.2
107.08609	0.2
109.10172	0.2
111.04446	1.5
115.05410	0.2
119.04927	0.4
123.00799	1.6
123.04439	1.3
124.01639	0.2
129.06978	0.2
133.02840	0.3
135.04414	1.4
137.05968	1.2
138.03133	0.3
139.03854	0.8
141.07019	0.3
144.05661	0.3
145.06508	0.2
147.04477	0.2
149.02321	0.6
150.03117	11.0
151.03889	0.4
151.07509	0.2
152.01021	0.4
152.06204	0.2
153.01804	0.2
153.05487	0.5
154.02629	0.2
155.04929	0.8
156.05649	0.2
157.06511	0.3
161.02405	0.2
161.05984	0.4
163.03929	0.3
164.04684	0.6
165.05492	0.3
165.06940	0.4
167.03397	19.4
168.03775	0.3
168.05725	0.3
169.06503	0.8
171.04413	0.5
172.05182	0.6
173.06012	0.2
177.05423	0.3
179.03415	0.7
181.06477	0.3
183.04379	1.2
183.08078	0.3
184.03682	3.9
184.05208	0.5
185.05968	0.4
186.06754	0.3
187.03996	0.2
187.07576	0.5
191.03375	2.4
193.04909	0.5
195.04434	0.2
197.06046	1.0
198.06683	0.3
199.03891	0.9
200.04689	1.5
201.05505	0.4
203.07196	0.2
205.05049	0.3
211.03880	1.3
211.07378	0.2
212.04701	0.8
213.05502	0.4
214.06219	1.9
215.07024	0.7
217.04965	0.7
218.05713	0.2
223.05956	0.3
224.04712	0.3
225.05484	0.7
226.06197	0.5
227.03391	0.9
227.07018	1.4
228.04161	4.8
229.04842	0.5
229.08627	0.4
231.06499	1.6
239.03450	0.5
240.04086	0.5
241.04950	1.5
241.08688	0.3
242.05731	8.4
243.06516	6.1
245.04364	1.1
253.05011	0.6
253.08679	0.5
254.05716	1.3
255.02895	0.7
255.06470	0.5
256.03665	1.2
257.08102	1.3
258.04999	0.2
259.06018	0.7
260.06754	0.4
267.02924	0.4
267.06445	0.3
268.03662	0.3
269.07996	0.2
270.05215	3.6
271.06006	6.2
272.06534	0.3
273.03894	0.6
275.09131	4.0
282.05219	1.9
283.02399	0.3
283.05988	0.8
284.03171	1.4
285.07571	6.1
287.05566	0.3
288.06332	0.3
298.04724	1.2
299.05515	4.5
299.08905	0.4
300.05933	0.2
303.08612	0.4
313.07135	3.4
313.10776	0.3
315.04999	0.6
316.05768	12.0
316.08633	0.4
317.06128	0.3
331.08109	100.0
332.08438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05005	9.8
56.96554	12.2
57.18896	7.4
59.21278	9.4
61.02925	9.0
68.82343	7.4
69.03426	17.0
70.06581	24.3
73.02927	8.1
81.03423	11.1
84.08138	23.9
85.02889	34.0
86.09710	27.4
88.46638	8.1
95.27128	8.1
95.74227	6.9
97.02878	16.2
97.07610	7.8
98.97568	15.2
98.98469	100.0
108.08133	42.3
112.08707	8.1
113.14902	7.9
119.01942	9.4
123.24032	6.8
124.07544	15.3
129.10191	17.9
143.01938	7.4
145.03520	11.8
145.04849	11.9
147.11292	9.7
151.08627	9.1
152.07057	48.1
162.05597	8.8
176.98924	11.6
186.96762	8.6
197.13036	9.2
214.86188	7.7
250.06888	7.7
314.12381	46.8
331.07947	70.6
338.19519	7.2
349.02206	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	331.0814
Annotation	5,6,4'-Trihydroxy-7,3'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01856	0.8
55.05490	0.4
57.03435	0.3
65.03933	0.5
67.05493	0.8
68.99778	0.7
69.03410	0.3
70.41288	0.9
70.41663	0.4
79.05471	0.4
81.03407	0.4
81.07043	0.7
91.05462	1.4
93.07017	0.3
93.93475	0.2
95.04959	0.8
95.08587	0.4
96.02082	0.6
97.06534	0.3
98.21487	0.3
98.98456	5.3
103.05450	0.4
105.03391	0.5
105.07046	0.5
107.01302	0.4
107.04957	0.5
107.08579	0.4
111.04441	2.9
115.05432	0.7
117.07004	0.6
119.04893	0.7
119.08549	0.3
121.06525	0.4
122.03632	0.4
123.00764	1.1
123.04418	1.3
125.02327	0.4
127.03891	0.4
129.06973	0.9
131.04950	0.7
133.02867	0.4
135.04408	1.0
137.02322	0.4
137.05959	4.0
139.03897	1.6
141.06982	1.2
144.05731	0.5
145.06467	1.0
147.04411	0.9
148.05190	0.5
149.02344	0.3
149.05992	0.5
149.09517	0.4
150.03123	6.2
151.03931	0.6
151.07561	2.2
152.01074	0.5
152.06145	0.5
153.01851	0.5
153.05562	0.7
153.07001	1.0
154.07759	0.5
155.04886	0.9
155.06024	0.5
157.06464	0.9
158.07231	0.4
159.04387	0.3
161.06001	0.7
163.03944	0.4
163.07556	0.6
164.04611	0.4
165.05637	0.4
165.06898	1.4
167.03403	12.2
167.08484	0.5
168.05710	1.2
169.01392	0.4
169.06401	1.6
169.07742	0.3
169.09758	0.6
171.04327	0.6
171.08067	0.6
172.05209	0.5
173.05934	0.3
174.06657	0.3
174.99481	0.3
175.03889	0.4
176.91608	0.3
176.98946	0.3
177.05486	0.3
178.07809	0.8
179.03340	0.8
179.08549	1.4
181.06465	1.2
182.07249	0.7
183.04320	1.4
183.08061	0.9
184.03658	2.2
184.05215	1.0
185.05942	1.7
186.01611	0.4
186.06674	0.6
187.03831	0.3
187.07608	0.4
189.09052	0.5
190.05014	0.4
191.03387	1.6
191.07054	0.3
193.04916	0.6
195.05580	0.7
195.08096	0.9
196.05115	0.8
196.08807	0.3
197.05876	2.9
197.09573	0.6
199.03955	0.7
199.07530	0.4
200.04692	2.0
201.05339	0.4
203.03389	0.4
207.08067	1.0
208.05258	0.4
209.05789	0.8
210.06790	1.3
211.03799	1.2
211.07449	2.1
212.04762	1.7
213.05467	0.9
214.06216	2.7
215.07037	0.9
217.04950	0.6
221.05865	0.3
221.07254	0.3
223.07556	0.5
224.04686	0.4
224.08377	0.9
225.05293	2.0
225.08975	2.5
226.06221	0.8
227.03377	1.1
227.07018	4.8
227.10500	0.6
228.04176	4.0
228.07613	0.4
229.04825	1.8
229.08591	1.0
231.06548	1.2
235.07555	0.8
238.06259	0.7
239.03331	1.0
239.06911	0.7
239.10521	0.5
240.04179	0.6
241.04976	1.6
241.08577	0.4
242.05713	6.8
242.09291	0.3
243.06516	7.3
245.02116	0.5
245.04439	3.8
249.09007	0.3
252.04164	0.6
252.07805	0.3
253.04921	0.9
253.08600	4.1
253.11351	0.4
253.12173	0.3
254.05721	1.7
255.03099	0.4
255.06540	3.6
255.10138	0.8
256.03683	1.8
256.07129	0.5
257.04477	0.6
257.08063	1.8
257.11835	0.5
259.06000	1.0
260.06744	0.6
267.02975	0.5
267.06995	0.6
267.10202	0.6
267.17438	0.3
269.04541	0.4
269.08023	0.6
270.05246	3.5
270.08676	1.2
271.06091	6.3
271.09711	0.9
272.06680	1.3
273.03955	4.5
275.09143	6.8
281.08066	1.7
281.11011	0.3
282.05331	1.4
283.02432	0.4
283.05917	0.9
284.03250	1.4
285.07617	14.7
285.11206	2.6
287.05417	0.7
287.12753	1.1
288.06256	0.7
295.07007	0.8
298.04703	2.0
299.05478	5.2
299.09143	4.9
301.03500	3.1
301.06772	0.4
303.08627	1.3
313.07593	3.9
313.10779	4.6
315.05057	1.5
316.05771	18.2
316.08820	1.0
331.08118	100.0
331.11630	7.7
332.08463	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	330.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01871	0.7
55.05262	0.6
55.05512	7.3
56.05017	0.5
56.96565	1.7
57.03437	0.7
57.05812	1.1
60.04530	0.6
61.02927	0.7
67.05511	1.3
68.71485	0.4
68.99814	0.5
69.03419	1.8
69.03767	0.5
69.07068	1.8
70.06594	1.7
70.47029	1.1
70.47378	0.8
72.08157	100.0
72.93784	0.6
73.08480	0.6
74.06100	0.7
79.05489	0.8
81.03417	1.1
81.07070	1.5
83.04996	0.7
84.04495	0.5
84.08141	1.3
85.02924	1.5
85.06491	0.4
86.09708	5.2
88.04007	2.7
90.94813	0.5
91.05489	1.5
93.07083	0.7
95.04980	0.9
95.08629	0.6
97.02931	1.1
98.98466	18.9
99.04442	0.6
105.07050	0.5
107.04999	0.4
107.08555	0.4
109.02906	0.6
109.06582	0.7
110.06028	0.4
111.04447	0.8
112.07610	0.7
116.07076	0.7
116.98694	0.5
116.99507	0.8
119.04955	0.4
119.08610	0.6
121.02872	5.5
121.06483	0.6
121.10145	0.5
122.10489	0.6
123.04443	0.8
124.07585	0.6
127.03905	0.5
132.10225	1.7
132.95874	0.6
135.04401	0.7
137.06015	1.3
138.05495	0.8
140.07082	1.6
142.12308	0.4
143.05656	0.8
146.99661	0.4
147.04445	1.4
149.05994	0.8
149.09691	0.4
151.02184	0.4
151.03893	1.1
151.07533	0.5
162.05530	0.6
163.03943	1.1
164.07127	0.5
165.05460	0.5
167.03432	0.5
167.07112	0.7
168.06636	1.4
171.14929	35.8
172.03943	0.4
174.96864	0.6
174.99268	1.0
175.03960	0.4
176.99020	1.2
177.05478	1.0
178.12244	0.4
181.06499	0.7
185.16602	1.3
190.05017	1.7
193.05066	0.6
195.02859	2.1
199.14420	17.2
207.06445	0.6
208.05190	2.1
220.06529	0.9
223.04282	1.3
225.05733	0.4
230.04681	0.4
231.17014	4.7
238.07689	0.9
239.06876	0.4
240.04030	0.5
246.04753	0.6
254.05850	0.5
264.05487	0.9
269.08157	2.0
271.06155	0.5
271.09738	0.8
274.03140	1.6
275.09415	0.4
284.06592	1.1
286.20288	0.5
287.05359	0.5
299.05508	0.5
300.06085	0.5
301.06717	0.9
310.04269	0.4
312.06125	0.5
312.18124	0.5
315.08627	5.5
316.09091	0.6
319.04465	0.5
330.06982	5.2
330.11310	4.1
330.19333	0.7
330.22736	0.9
331.08157	3.0
331.12170	1.7
331.17328	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18281	1.1
53.03930	1.5
55.01862	2.0
55.05518	9.7
56.05033	1.5
56.69612	1.2
56.96566	11.8
57.03418	1.4
58.99574	3.7
60.04532	1.4
61.01149	2.7
67.05497	6.4
69.03430	3.4
69.07056	12.5
69.29285	13.0
70.06589	2.1
71.04997	3.5
73.01117	1.7
73.90160	1.3
73.92884	1.3
74.00677	7.1
79.05498	8.7
81.03426	1.9
81.07058	15.4
83.04977	5.9
83.08607	3.9
84.96024	3.8
85.01131	3.0
85.02897	3.0
85.06512	2.3
86.00645	4.2
87.02704	1.5
88.02220	14.3
88.03987	5.7
89.00617	7.9
91.05485	11.0
93.07037	14.3
94.06509	1.4
95.04942	3.1
95.08608	14.2
97.01106	4.5
97.06518	3.5
97.10158	2.8
97.59274	1.4
98.20722	2.5
98.97594	9.4
98.98464	26.5
99.02661	3.3
99.08077	1.6
100.02229	2.0
101.00599	4.3
105.07029	15.3
107.08595	26.1
109.06512	5.7
109.10159	11.1
110.97565	1.6
111.02675	3.2
111.08077	1.7
113.04189	1.2
114.03741	1.7
115.02131	3.5
116.01719	8.0
116.98638	7.6
117.00096	2.0
117.07013	2.5
119.04919	3.6
119.08569	13.2
120.01169	2.0
121.02856	3.0
121.06512	4.1
121.10144	8.6
123.08044	2.3
124.07606	1.3
125.04215	2.2
125.09642	4.4
126.03728	5.5
127.02134	6.2
128.98598	4.1
129.06972	1.5
131.00221	2.2
131.08575	9.4
132.01135	9.5
132.99538	3.7
133.06476	1.4
133.10135	7.9
134.02699	3.7
134.99631	5.1
135.04501	1.5
135.08037	6.4
135.11699	7.3
137.05956	1.9
137.09613	1.8
138.03725	1.6
139.05731	4.4
141.03662	2.4
143.00166	4.3
145.10121	4.5
146.02821	2.1
146.99638	3.8
147.11722	4.3
149.01216	3.7
149.04243	1.5
149.09636	2.5
149.13275	6.2
153.01820	5.9
153.12712	4.7
158.10864	2.1
158.99745	3.1
159.01111	4.4
159.11671	2.1
161.01234	13.0
161.13269	4.1
162.02190	3.1
163.00693	1.7
163.14847	3.6
165.07463	1.8
167.05260	2.1
171.11674	1.9
172.04324	6.6
173.02640	3.1
173.13272	20.5
175.14833	3.0
176.99138	1.3
177.00725	4.3
179.02266	2.8
179.14313	2.4
181.10587	1.6
185.01241	5.5
189.00768	1.4
189.81596	1.5
191.14304	22.0
197.38516	1.6
198.05920	1.9
201.00647	2.2
203.02281	6.5
204.02560	1.5
205.10495	2.6
208.05209	5.1
219.01759	7.0
221.13376	1.6
223.11522	12.5
225.13062	1.5
228.10545	1.7
237.02794	4.4
239.07390	1.7
239.09698	2.3
241.12567	34.9
248.14659	3.4
254.05743	1.6
266.15756	6.8
267.14139	4.8
269.08081	2.8
271.06027	100.0
272.06332	18.7
273.06564	2.1
276.66843	1.3
294.15231	29.1
295.13480	2.7
306.12982	1.4
312.16275	68.6
313.07901	2.3
315.08777	7.5
316.05765	1.9
330.11102	8.7
330.17343	38.6
331.08093	11.6
331.11697	2.7
345.02872	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	329.305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32251	0.7
55.05509	2.0
56.96558	1.5
57.07059	1.3
57.36440	0.7
67.05503	4.4
69.03434	1.6
69.07066	4.7
70.06580	0.7
71.60409	0.9
79.05495	2.5
81.07057	8.9
83.08617	3.0
85.06554	1.6
91.05468	2.4
93.07050	4.6
95.04951	1.5
95.08616	9.0
97.10167	2.8
98.98464	100.0
100.98891	0.8
105.07020	1.9
107.08582	2.2
109.10152	4.9
111.11738	1.0
116.99496	5.5
117.07087	1.1
119.08588	1.7
121.06469	1.0
121.10143	2.7
123.11721	2.1
131.08563	1.4
137.05988	1.2
140.01068	1.7
143.08521	1.0
147.04384	1.6
147.08084	0.7
149.06042	0.7
149.13300	1.1
151.07639	0.9
151.11221	1.1
155.04926	0.8
161.05907	0.9
171.08076	0.8
173.13223	1.0
173.63443	0.7
174.99214	7.6
175.07616	0.9
176.98911	3.8
189.04152	0.8
206.09923	0.7
208.05179	1.2
213.05612	0.8
225.05659	1.2
243.06456	0.9
247.08478	1.1
251.00218	1.0
253.05032	1.7
260.93750	0.9
268.07278	1.5
269.07990	1.2
271.06122	2.5
275.27301	1.0
281.04474	1.9
285.10068	1.3
293.28235	1.0
297.03906	2.3
299.05472	5.4
299.08475	0.9
301.07245	0.9
311.20575	0.8
311.29602	1.4
313.07144	1.1
314.07776	1.8
315.08670	1.6
329.06537	4.9
329.10236	16.1
329.13507	0.8
329.21100	1.9
329.26770	1.7
330.07300	1.0
330.10767	3.6
354.41306	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1098
Annotation	Fluridone
Peak:m/z	Relative Intensity
55.01861	0.4
56.96542	0.3
57.03434	1.2
58.41093	0.3
68.99809	0.4
69.03426	0.6
69.07071	0.6
70.06593	1.2
70.29784	1.1
70.30178	0.5
79.05474	0.3
81.03403	0.4
85.02900	1.1
86.09719	0.5
88.23065	0.3
91.05492	1.0
94.06593	0.3
95.04961	0.3
96.02110	0.3
98.98473	5.2
100.46637	0.3
100.60180	0.4
107.01344	0.3
111.04443	0.9
116.99499	0.5
119.05037	0.3
121.10108	0.4
122.06000	0.5
123.94004	0.3
128.06258	0.4
131.08554	0.3
135.04413	1.2
137.02335	0.7
137.05968	1.4
137.83820	0.3
139.03918	0.8
140.07074	1.6
143.05640	0.4
144.04451	0.6
144.47708	0.3
147.04381	0.4
147.11674	0.3
149.02307	0.7
150.03137	0.8
150.09157	0.7
151.03931	0.5
151.07500	1.0
152.01077	0.3
152.06207	2.9
153.07042	0.4
153.70378	0.3
154.04129	0.5
154.07326	0.3
155.04889	0.4
161.05943	0.4
162.02800	0.3
163.03868	0.3
163.07452	0.5
164.04681	0.7
167.02124	0.5
167.03412	6.0
168.06670	0.4
168.48398	0.3
172.03900	1.0
172.05205	0.5
176.98802	0.3
177.05489	0.4
179.03365	0.5
180.05659	3.7
181.06425	0.8
183.04448	0.6
184.03609	1.2
184.05209	0.8
190.04939	3.4
191.03368	1.8
194.01978	0.4
194.03568	2.4
196.05173	1.1
197.06033	0.8
198.06735	1.1
200.04668	1.3
201.05429	0.5
203.03305	0.4
206.01135	0.3
208.05188	58.3
209.05597	2.0
210.06752	0.5
211.03911	2.9
212.04684	1.5
213.05411	0.3
214.04880	0.5
215.06985	0.4
217.04948	1.7
218.05705	1.1
219.06552	2.3
222.03127	1.4
224.04701	2.0
225.05519	3.0
226.06224	3.5
227.03586	0.4
227.07033	1.6
227.10645	0.4
228.04153	2.8
229.04922	1.2
236.04677	12.0
237.05133	0.8
238.06250	0.4
239.03441	0.9
239.06993	1.0
240.04163	9.7
241.04807	0.8
241.08565	2.0
242.05681	1.0
243.06557	5.8
244.07150	0.9
245.04515	0.4
247.06036	0.5
253.04948	1.1
254.05728	15.4
255.06383	2.0
256.03690	1.2
256.07208	0.4
257.04462	7.1
257.08078	1.1
258.04980	0.4
264.04111	1.8
267.06485	0.8
268.03662	4.1
269.08075	41.9
270.04977	1.2
270.08383	1.6
271.03033	0.5
271.06018	8.6
271.09583	1.1
272.06757	7.3
273.07153	1.3
275.09042	0.6
282.05219	6.6
283.05762	0.7
284.03119	1.8
284.06125	0.5
285.04114	0.6
285.07428	1.2
286.04691	1.7
286.08310	0.9
287.09152	5.5
287.12448	0.5
288.06107	0.3
297.07495	1.2
298.04639	1.2
299.05545	5.5
299.09009	0.8
300.06232	5.5
301.06876	6.9
310.08673	0.5
313.06940	0.5
314.07901	0.5
315.08609	100.0
316.05682	2.4
316.08975	3.9
330.06815	14.7
330.10876	89.6
331.08090	38.0
331.11487	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	329.2685
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
51.30542	1.4
53.03933	3.2
55.01868	2.8
55.05510	70.6
57.03438	32.0
57.07074	41.1
67.05170	2.1
67.05502	26.2
67.80070	1.2
69.03434	1.6
69.07067	84.4
71.04987	3.9
71.08628	21.7
71.12347	3.1
73.06551	3.6
75.04459	2.6
79.05488	13.0
81.07055	37.7
83.04965	3.7
83.08618	56.2
85.06519	3.5
85.10192	9.2
85.30209	1.2
91.05488	3.0
93.07034	17.3
95.04975	1.6
95.08604	30.7
97.06518	15.0
97.10169	32.6
98.98466	31.8
99.08093	2.0
101.05986	2.7
101.09619	1.7
107.08588	15.1
109.10168	12.2
111.08070	12.2
111.11745	8.7
115.07552	4.0
121.10139	19.4
123.11699	10.7
125.09632	11.2
125.13218	1.5
129.09109	2.5
135.11693	18.9
136.92221	1.3
137.13268	4.3
139.11182	9.0
143.10646	1.9
149.13249	15.1
153.12738	7.7
157.12312	1.6
163.14816	11.0
167.14301	5.7
171.13789	1.4
174.99181	2.3
177.16377	4.6
181.15837	4.7
195.17418	1.5
219.21098	13.6
223.86848	1.2
237.22107	18.7
255.23112	3.6
311.25784	13.6
329.26828	100.0
330.27090	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	329.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01864	2.9
55.05511	74.5
57.03439	31.4
57.07075	37.2
61.40301	1.6
67.05508	28.4
69.03430	2.0
69.07068	87.9
70.01368	1.5
70.44480	5.3
71.04996	2.3
71.08630	20.7
73.06537	2.9
79.05491	14.1
81.07054	35.3
83.04989	4.1
83.08618	61.0
85.06522	3.3
85.10191	10.5
91.05482	2.2
93.07036	21.0
95.08611	34.8
97.06523	16.6
97.10174	32.6
98.98483	20.5
99.08077	3.3
101.06028	2.9
107.08594	14.4
109.10133	14.7
111.08089	12.6
111.11731	11.2
115.07587	3.7
121.10150	19.4
123.11690	8.1
125.09656	11.6
125.13237	3.2
129.09172	2.0
135.11691	16.9
137.13231	6.5
139.11179	7.5
143.10692	2.8
149.13258	14.7
150.36383	1.6
153.12723	9.0
157.12282	1.5
163.14844	7.8
167.14346	6.2
177.16426	4.0
181.15796	4.0
195.17458	3.0
219.21088	14.7
237.22119	17.6
311.25787	15.3
329.26855	100.0
330.27213	5.3
342.87070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	4.9
58.06583	0.8
59.06128	0.7
69.03417	1.7
70.06578	0.7
71.04542	1.7
71.04930	0.6
73.07679	4.8
74.06083	1.4
80.85924	0.6
83.06144	1.0
84.04507	5.7
85.02915	0.9
95.06079	4.5
96.08129	0.9
97.02867	0.7
97.07655	35.7
98.98458	6.1
99.05550	2.8
99.90481	0.6
100.03978	1.7
102.05525	1.4
110.07152	0.8
112.08738	1.0
113.07128	1.0
115.08713	1.2
119.95946	0.9
123.09212	1.4
124.07661	0.8
125.07149	1.0
126.05540	0.7
127.08726	0.6
129.06586	1.8
132.08076	1.1
136.08675	1.4
138.10240	1.1
139.08672	1.7
141.06593	1.2
141.10213	2.8
143.05701	1.0
143.08162	13.4
144.06573	1.3
145.06110	0.9
150.05516	2.8
151.05890	0.6
154.09753	5.1
155.08075	0.7
157.06087	2.7
158.09227	3.1
159.07631	0.9
159.11261	4.2
166.07233	1.8
168.06610	1.7
169.09761	1.0
178.08624	0.9
179.12943	1.6
180.11336	1.8
182.09274	2.9
182.12901	1.4
183.07625	6.3
187.10748	4.8
188.09181	1.8
197.14037	1.1
200.10313	8.8
201.86133	0.6
205.11821	0.9
208.10794	2.6
225.13496	3.9
226.08253	0.8
226.11803	6.9
243.14557	2.4
283.17593	2.7
285.15533	4.1
311.17221	4.1
329.18192	100.0
330.18558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03939	2.3
55.01863	2.3
55.05512	5.0
56.96558	1.1
57.03431	5.4
57.07071	1.9
61.02922	4.4
66.65596	0.7
67.05505	8.7
68.99786	1.9
69.03079	1.3
69.03432	21.6
69.07060	5.8
71.01340	0.8
71.04980	1.6
71.08615	1.1
71.61034	1.2
75.04475	3.3
78.04714	2.1
79.05492	18.0
81.03410	2.2
81.07057	22.7
83.04974	3.0
83.08604	2.6
85.02902	6.6
89.03929	0.9
91.05483	19.8
93.03410	1.0
93.07042	88.2
94.67037	0.8
95.04982	6.6
95.08607	18.0
97.02895	7.9
97.06532	2.8
97.10184	2.2
98.98464	96.0
99.04450	1.4
100.97276	0.8
103.05441	2.4
105.03421	0.9
105.07034	15.7
106.04165	3.0
106.80029	0.8
107.04967	4.0
107.06985	0.8
107.08592	14.2
109.02874	2.6
109.06531	5.4
109.10140	5.5
111.04438	2.4
111.08101	3.9
111.11745	1.8
115.05459	1.9
116.06245	1.1
116.98768	0.9
116.99474	4.8
117.03336	1.0
117.06995	1.6
119.04946	0.9
119.08587	10.7
121.06539	5.9
121.10142	100.0
122.10498	1.9
123.04408	3.0
123.08028	4.3
123.11694	5.7
124.07536	0.9
125.02387	2.5
125.05988	4.3
127.03913	5.0
128.06229	1.1
129.06998	2.0
131.04907	1.0
131.08556	9.6
133.02928	1.8
133.06464	1.6
133.10095	2.2
134.03635	15.9
135.04359	1.3
135.08051	1.5
135.11659	1.7
137.05974	4.1
137.09573	2.5
137.13168	0.8
139.03880	1.4
139.05406	1.2
139.11183	4.8
140.01071	1.0
141.05473	1.0
141.07002	1.0
143.08540	1.8
145.06419	1.4
145.10092	2.7
147.04413	3.7
147.08051	1.2
147.11639	1.0
149.05986	4.9
149.09613	24.9
149.10736	1.6
151.03909	2.4
153.01843	9.9
153.06996	1.2
157.10146	1.2
159.08076	1.1
159.11674	1.2
161.06032	1.2
163.03842	1.3
163.11214	1.3
167.03278	0.9
167.07080	1.0
167.10675	9.3
169.06374	1.1
169.10271	1.6
171.02879	5.3
171.11603	0.9
173.05910	1.1
173.09612	1.1
174.06810	1.1
174.99214	7.3
175.03812	1.1
175.07553	1.0
175.11124	1.0
176.98950	3.7
177.05524	1.5
177.09109	2.4
179.07031	1.1
184.05157	1.1
185.05975	1.0
187.03925	2.1
187.11105	2.4
197.06026	1.5
199.04027	1.1
205.12227	1.4
207.06497	1.2
208.05144	1.9
209.06081	1.0
212.04555	0.9
213.05486	2.5
215.03340	4.3
215.10648	1.2
219.08228	0.9
223.04022	1.2
227.07036	1.0
229.04912	2.1
230.05733	8.7
236.04608	1.1
240.04143	1.6
241.04962	1.6
243.02911	6.9
253.04886	2.6
255.06519	1.4
257.04367	2.4
258.05219	5.0
259.05917	0.9
263.12466	0.9
267.06540	1.0
268.03677	5.8
269.04364	3.7
269.08109	2.3
271.02292	2.9
271.05994	3.2
281.04504	3.2
283.02405	1.9
283.05905	1.7
285.07565	1.0
286.04724	22.9
287.05182	2.0
296.03223	5.2
297.03729	2.2
297.07556	2.4
298.04736	1.4
299.01859	8.4
299.05515	10.3
300.06116	1.8
301.07068	56.7
302.07388	4.6
311.09131	1.1
311.14963	2.4
314.04175	12.3
314.07819	2.9
315.04816	1.7
315.08606	2.9
329.06531	93.5
329.10272	26.7
329.21286	2.1
330.06870	6.6
330.10825	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	329.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.44678	0.3
55.01866	0.7
55.05518	0.4
56.05027	0.9
56.57346	0.4
56.67523	0.4
56.96565	0.9
57.03430	1.2
60.04510	0.5
61.02913	0.6
67.96414	0.3
69.03420	2.7
69.30573	4.2
70.06596	2.7
71.04986	1.1
72.08138	1.0
73.24198	0.4
74.78227	0.4
80.05006	0.6
81.03413	2.4
82.06583	3.0
83.06095	0.9
84.04482	1.0
84.08131	1.7
85.02924	1.0
85.06522	0.7
91.05475	0.5
93.06981	0.4
95.06078	0.7
97.02882	0.5
97.07652	5.4
98.06050	1.0
98.98463	57.9
99.04443	1.6
99.05534	0.5
100.98856	0.7
107.06063	1.0
108.04453	0.6
109.07572	0.6
109.58533	0.4
110.06028	0.5
110.07190	0.7
112.08682	0.6
114.02972	0.5
116.07081	1.3
116.98695	0.8
116.99490	2.8
117.03205	0.4
122.07113	0.6
123.04364	0.7
124.08698	0.9
125.07081	0.7
127.03835	0.7
129.06573	0.4
129.10278	0.6
134.08138	1.1
134.99631	0.4
135.04428	0.5
136.05226	0.4
136.06158	2.2
137.05922	1.0
140.07005	0.4
141.06592	0.4
143.08138	1.8
144.06499	0.4
146.71420	0.4
149.05901	1.2
149.07909	0.9
150.05544	0.8
150.06650	1.0
152.04626	2.0
152.05724	0.6
152.07019	0.6
153.04030	1.8
153.05305	0.5
153.06635	0.7
154.09724	0.8
158.09326	0.5
159.11346	0.5
163.03905	1.2
164.08229	0.5
166.06104	0.7
166.08572	1.0
167.05620	0.4
167.07022	0.4
168.06601	0.6
168.08838	0.5
174.99243	6.0
176.98985	2.7
177.00340	0.6
178.06134	1.3
179.05638	57.7
180.04105	2.2
180.06415	4.7
183.07736	0.7
187.10854	0.5
193.07193	8.3
194.08008	17.3
195.05171	0.9
195.08812	3.7
196.14418	0.5
200.10321	1.0
207.08835	2.0
208.10669	0.5
209.10471	0.5
223.04254	0.7
226.11841	1.0
228.91644	0.4
250.99797	0.4
252.99774	0.5
266.08887	0.8
268.12692	0.6
283.11432	0.7
285.15656	0.8
296.11105	4.9
311.13623	3.2
311.16837	0.8
314.08398	0.7
314.12183	19.5
329.14575	100.0
329.18121	8.6
330.14859	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
50.23949	0.3
50.46545	0.3
55.05526	0.8
56.96576	0.4
57.07098	0.3
60.14822	0.4
66.30437	0.3
67.05534	1.0
69.03456	0.5
69.07102	1.2
79.05528	0.9
80.87098	0.3
81.07059	2.7
83.05006	0.4
83.08640	0.7
85.02928	0.3
85.06522	0.5
91.05497	0.9
93.07043	2.0
95.08598	1.7
97.02914	0.4
98.98467	27.4
99.08088	0.4
105.03413	0.7
105.07098	0.9
107.04990	0.6
107.08633	1.0
109.10198	1.1
113.38553	0.3
116.99574	1.0
119.08640	0.8
121.06551	0.4
121.10139	1.8
123.11749	0.6
133.02937	1.1
134.03702	0.6
135.08058	0.4
135.11638	0.4
137.02397	0.3
137.06036	1.0
138.03128	0.4
147.04498	0.3
148.05197	1.8
149.05913	0.4
149.13298	0.4
151.03941	1.4
152.06169	0.3
167.03371	1.9
167.07143	0.4
174.99249	1.8
175.03958	1.0
176.98982	1.1
177.05403	0.4
181.05000	1.5
181.06409	0.6
183.03058	0.5
185.06010	0.4
191.03517	0.4
197.06020	1.9
198.06856	0.5
208.65730	0.4
211.07678	0.4
212.08446	0.4
215.07045	1.0
225.05487	0.9
226.06291	0.3
227.07076	1.1
229.05045	0.6
229.08685	0.9
237.05540	0.7
239.06955	2.0
240.07837	0.6
241.08699	0.9
242.05801	1.1
243.06549	8.6
243.08803	0.5
251.06934	0.5
253.05037	1.2
254.05760	0.6
255.06555	0.9
257.08121	5.0
258.08847	1.3
265.04941	0.9
267.06531	2.6
267.08990	0.5
268.07343	2.4
269.04584	0.4
269.08038	1.6
271.05997	8.4
279.06595	0.5
281.04407	0.9
282.05228	0.8
283.05942	1.2
284.06738	0.5
285.07489	3.4
285.10068	0.5
286.08249	0.6
295.06079	1.9
296.06754	2.7
297.04477	0.5
297.07541	2.7
299.05518	6.4
300.06207	1.6
301.07056	0.5
311.09161	1.5
313.07117	4.9
314.07849	44.2
315.08276	1.2
329.10193	100.0
330.10516	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	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01871	0.4
55.05498	0.7
55.97500	0.3
56.96557	0.3
62.73674	0.2
65.54815	0.3
67.05501	1.3
68.99807	0.3
69.03407	1.0
69.07045	0.8
70.80184	0.3
70.80548	0.7
70.81980	0.2
71.04955	0.4
72.38659	0.2
77.65819	0.2
79.05490	1.6
81.07052	2.2
83.04958	0.5
83.08595	0.6
85.06499	0.2
89.70264	0.3
91.05493	1.3
93.07040	2.3
95.04958	0.6
95.08620	1.4
97.06509	0.4
98.98460	28.4
103.05425	0.3
105.07027	1.4
107.04939	0.3
107.08604	1.4
108.08055	0.3
109.06490	0.5
109.10133	0.9
111.04421	0.5
116.98726	0.3
116.99467	1.5
119.04885	0.4
119.08588	1.3
121.02834	0.3
121.06452	0.4
121.10130	2.1
123.00740	0.9
123.08004	0.4
125.05930	0.3
125.09615	0.4
131.08521	0.6
133.10066	0.9
135.04353	0.4
137.05974	1.6
138.03069	0.3
139.03877	0.3
143.08551	0.4
145.02826	0.4
145.10083	0.6
146.30444	0.2
147.04388	0.3
148.05183	2.2
149.06001	0.3
149.09627	0.6
149.13284	0.3
151.03926	0.3
151.07483	0.3
153.06955	0.3
161.09563	0.4
162.06700	0.4
163.07492	0.5
167.03392	2.1
167.07034	0.4
167.10614	0.4
169.06480	0.7
171.09119	0.2
171.11595	0.3
174.99197	2.3
175.07497	0.3
176.98953	1.2
177.01859	1.8
177.05405	0.7
179.03404	0.3
181.06392	0.5
182.07213	0.5
184.03654	3.9
184.05190	0.4
187.07463	0.4
187.11115	0.4
192.04163	4.6
193.04907	0.5
196.05334	0.3
197.04362	0.9
197.05981	1.7
197.13289	0.3
198.06743	0.3
199.08664	0.9
200.04721	0.4
204.13910	0.4
211.03865	0.5
213.05556	0.4
213.08755	0.3
213.10452	0.5
214.10916	0.5
215.06944	0.5
225.05444	1.1
226.06194	0.5
227.06960	1.6
227.11736	0.5
229.08597	0.8
229.13266	1.0
239.06926	0.5
240.03955	0.3
240.07878	0.4
241.08388	1.2
242.05663	0.6
242.10503	0.4
243.06535	1.0
251.06966	0.3
252.04129	0.6
252.99649	0.5
253.04906	1.5
254.05702	0.4
255.06448	1.2
256.07001	0.3
256.11954	0.3
257.09366	2.0
257.12766	2.0
258.09592	0.3
267.06525	7.4
268.07181	3.9
269.04532	0.5
269.08035	1.2
270.05255	2.3
270.08179	0.4
271.05991	1.9
272.11481	0.3
273.11115	2.1
280.03494	0.3
281.04425	1.2
282.05264	0.5
283.06100	1.3
283.10446	0.8
285.07507	10.0
285.12384	1.0
286.08490	1.0
295.05984	4.7
296.06772	4.6
297.04227	0.4
297.07416	2.0
298.04636	1.1
298.08020	0.5
299.05487	4.1
299.08694	0.4
300.06216	0.3
300.11087	0.3
301.06970	0.8
301.11914	2.2
311.05499	0.3
311.09076	0.3
313.07040	26.4
314.07761	6.1
315.08453	0.4
329.10187	100.0
330.10416	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.102
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
68.99785	0.6
69.07063	0.3
70.93724	0.5
70.94066	0.4
79.05479	0.4
81.07048	0.5
91.05470	0.6
93.07027	0.8
95.04934	0.4
95.08620	0.4
98.97866	0.3
98.98470	4.4
101.88387	0.2
107.04955	3.7
121.02782	0.3
121.06424	0.3
121.10140	0.5
123.04425	1.3
124.07481	0.2
131.04947	0.3
133.02834	0.3
134.03647	1.8
135.04408	2.3
137.05939	0.3
142.08549	0.3
145.06468	0.3
146.03616	1.1
147.04405	6.0
152.04782	0.2
153.05412	0.2
157.06541	0.4
159.08018	0.3
161.05966	0.3
163.03897	0.9
165.07007	0.3
169.06444	0.7
171.04446	0.3
172.05209	0.7
173.05940	1.9
174.03166	0.3
174.99236	0.3
180.04192	0.2
181.04993	0.5
181.06447	0.5
183.04407	0.3
184.05240	0.3
185.05954	1.2
187.03827	0.3
187.07518	0.4
192.04155	0.6
195.06612	0.4
195.08229	0.3
197.05965	3.1
199.03874	0.3
199.07629	0.3
200.04691	4.4
201.05444	2.2
206.04584	0.2
207.06514	2.5
209.05891	0.4
211.03963	1.3
211.07504	0.9
212.08363	0.5
213.05450	1.0
214.02603	1.7
215.07056	1.0
219.06506	0.2
221.05925	0.5
222.06850	0.5
223.07535	0.5
225.05441	2.1
226.06204	0.3
227.07140	0.4
228.04192	1.8
229.04945	1.1
237.05525	1.2
239.03329	1.4
239.07016	0.9
240.07797	0.9
241.04922	0.7
242.05730	0.3
243.06505	1.7
250.06210	0.6
251.07011	1.7
253.04945	15.9
254.05569	0.4
255.02875	0.3
255.06566	0.8
256.03629	4.8
257.04437	0.2
265.04910	1.3
266.05579	0.3
267.06516	4.7
268.07239	2.2
269.04443	1.6
269.07947	0.7
270.05197	1.9
271.06003	10.8
278.05734	0.5
279.06552	1.0
281.04446	18.3
282.04968	0.6
283.06000	1.9
284.03159	0.8
285.04214	0.4
285.07547	2.3
286.04596	0.3
295.06012	1.3
296.06808	2.5
297.04028	3.8
297.07443	0.8
298.04596	0.9
299.05490	62.5
300.05890	0.9
301.07028	0.9
313.07010	4.8
314.04520	0.7
314.07822	15.7
315.04916	0.5
315.08224	0.4
315.18268	0.2
329.10175	100.0
330.10538	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1019
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
55.05510	0.6
65.03954	0.3
67.05527	1.5
67.05811	0.5
69.03425	0.7
69.07060	0.6
70.05904	0.9
70.06310	0.5
72.96239	0.3
79.05476	1.3
81.03402	0.7
81.07053	2.1
83.04977	0.4
83.08599	0.6
85.02914	0.4
85.06550	0.4
91.05470	1.3
93.07056	2.4
95.04964	0.9
95.08607	2.1
96.78850	0.3
96.96725	0.3
97.02882	0.5
97.10210	0.3
97.14506	0.3
98.21472	0.3
98.98466	28.8
105.03355	0.4
105.07030	0.9
107.04973	0.4
107.08608	0.7
109.10136	1.0
116.98698	0.4
116.99501	1.4
117.06915	0.3
119.04955	0.4
119.08598	0.7
121.06492	0.6
121.10139	2.0
123.04417	0.5
123.08057	0.4
123.11684	0.6
125.05925	0.3
131.08597	0.6
133.02863	1.1
133.10173	0.6
134.03668	0.8
135.04433	0.5
135.11676	0.3
137.02354	0.6
137.05971	1.1
140.01077	0.3
145.10088	0.5
147.04440	0.8
147.11684	0.4
148.05191	1.3
149.09665	0.4
151.03897	0.8
152.04721	0.4
159.08080	0.4
159.11681	0.4
163.03900	0.5
165.06917	0.4
167.03355	1.9
167.07114	0.4
169.06583	0.7
174.99236	2.5
175.03922	0.8
176.04657	0.5
176.98936	1.0
180.04271	0.4
181.05081	1.6
181.06413	0.5
197.06033	1.5
201.05428	0.4
203.03616	0.3
204.04449	0.3
204.06474	0.4
205.05016	0.4
209.06026	0.6
210.06667	0.3
211.07545	0.9
212.08139	0.3
213.05492	0.7
213.09106	0.5
215.07018	1.5
223.07716	0.4
225.05525	0.9
226.06262	1.0
227.07018	1.1
228.04312	0.5
229.08708	0.6
237.05431	0.8
239.07016	2.0
240.07870	0.9
241.08656	1.2
242.05737	0.6
243.04070	0.6
243.06535	9.1
251.07027	0.4
253.04967	1.0
254.05812	0.7
255.06509	0.4
257.08084	6.1
257.10852	0.2
258.08838	0.9
265.05023	1.0
266.05661	0.3
267.06482	3.2
267.08966	0.4
268.07303	2.2
269.08151	1.6
271.06015	10.2
281.04489	0.8
282.05399	0.7
283.06042	1.5
283.09494	0.3
284.03241	0.4
284.06604	0.5
285.07571	4.2
285.10303	0.9
286.08191	0.6
287.05469	0.4
295.06009	2.1
296.06833	2.9
297.07535	3.0
298.04883	0.4
298.08084	0.6
299.05493	7.5
300.06137	1.6
301.07169	0.7
311.09113	1.7
311.12393	0.4
313.07056	6.3
314.07837	45.3
315.08179	1.5
329.10193	100.0
330.10406	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0652
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.03934	1.1
55.01865	0.7
55.05508	1.5
56.96560	0.8
57.03420	0.7
57.07066	1.0
58.19457	0.5
65.03947	0.6
67.05496	1.9
68.99786	0.9
69.03427	4.5
69.07059	1.7
71.04990	0.6
71.08602	0.4
73.33976	0.5
79.01832	0.5
79.05495	4.3
81.07058	6.2
83.04990	1.4
83.08605	0.8
85.02891	1.4
91.05479	3.9
93.07041	10.0
95.04962	2.4
95.08601	4.6
96.02132	0.5
97.02878	1.5
97.06541	1.3
98.21510	1.1
98.98466	64.0
100.98895	0.7
105.03410	1.1
105.07040	2.8
107.01295	0.7
107.04934	1.4
107.08604	3.6
109.06520	1.6
109.10180	1.5
111.04440	3.8
115.05439	0.8
116.98705	0.7
116.99516	3.3
117.06990	0.7
119.04926	0.6
119.08594	1.4
121.06507	1.2
121.10141	24.2
123.04465	0.7
123.08085	1.4
123.11696	3.0
125.05987	1.4
127.03934	1.1
128.06236	0.5
129.07014	0.5
131.04959	0.8
131.08589	1.5
133.02861	3.6
133.06583	0.6
133.10117	1.0
134.03647	1.7
135.04431	0.5
135.11732	1.0
137.02322	3.6
137.05939	2.4
139.03938	2.1
139.11183	1.4
140.01112	0.8
143.08498	0.9
144.05695	0.9
145.06473	0.8
145.10159	0.9
147.04443	1.3
149.02347	0.8
149.09601	3.5
151.03960	1.5
152.01039	1.3
153.01859	1.3
157.10115	0.7
159.04364	0.7
159.08078	0.7
159.11707	0.6
161.02411	1.2
161.09679	0.6
162.03123	2.0
163.03893	1.0
167.03412	15.6
167.07080	0.9
167.08499	0.5
167.10701	1.4
172.05212	0.8
174.99194	4.4
175.03996	0.6
175.07579	0.7
176.98967	1.2
177.01862	1.8
177.05444	0.9
179.03419	1.2
183.04460	0.7
187.07585	0.8
189.01852	7.5
191.03413	0.9
195.08102	0.6
197.05978	1.1
198.06757	0.5
200.04710	4.7
201.05598	0.6
203.03484	0.6
204.04121	0.5
207.06549	0.9
208.05206	1.0
211.03966	1.6
212.04611	1.2
213.05414	1.1
214.02518	0.5
215.03583	0.9
215.07071	1.9
216.04257	1.1
225.05568	1.1
227.07158	1.1
228.04170	11.1
229.04950	2.0
230.05617	2.3
231.06610	1.8
237.03949	0.6
239.03467	2.3
240.04181	0.6
241.05048	1.1
241.08649	0.6
241.59938	0.5
243.02777	1.1
243.06537	21.4
244.07021	0.9
245.08206	1.1
252.99834	0.8
253.05089	2.0
255.06602	1.1
256.03668	2.6
257.04507	1.7
258.05310	1.5
268.07465	0.7
269.04541	1.7
269.08350	0.7
271.03113	0.7
271.06006	22.9
272.06366	1.2
273.07648	2.0
281.04370	2.6
282.01657	0.9
283.05917	0.9
284.03098	3.7
286.04605	3.0
297.04034	1.8
297.07620	0.6
299.05502	14.1
300.06155	0.6
301.07101	7.3
311.20236	0.7
313.06985	0.7
314.04318	3.1
314.07938	3.3
315.08664	1.5
329.06604	100.0
329.10275	20.0
329.21240	1.1
330.06976	4.7
330.10974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0654
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
55.05499	0.5
56.96553	0.8
57.03420	0.5
57.07069	0.3
61.02921	0.4
67.05495	1.1
68.99777	0.5
69.03432	1.5
69.07059	1.0
69.75099	0.8
69.75510	1.0
79.05486	0.6
81.07055	2.4
83.04974	0.3
83.08608	0.6
85.02903	0.6
85.06537	0.5
91.05481	6.4
92.05766	0.3
93.07038	1.1
95.04955	0.4
95.08604	1.8
96.89507	0.3
98.98466	36.5
99.08102	0.4
100.98878	0.4
105.07055	0.6
107.04921	0.3
107.08585	0.8
108.09876	0.3
109.10146	0.9
115.05463	0.5
116.06186	0.3
116.99535	1.9
117.07063	0.3
119.04967	0.6
119.08578	0.6
121.10150	0.9
123.04443	0.3
123.11768	0.4
125.02359	0.8
128.06233	0.7
129.06976	0.4
131.04901	2.0
131.08609	0.4
135.04431	0.3
140.01064	0.8
141.07039	0.8
143.08569	0.3
144.05754	0.4
145.02725	0.3
145.06485	0.8
145.10138	0.3
146.03719	1.3
147.04407	1.0
147.11658	0.3
149.09586	0.4
149.13248	0.5
153.01822	2.0
155.04892	1.0
157.02846	0.5
157.06572	0.4
158.03596	0.3
159.04422	1.8
159.08046	0.4
168.00626	0.3
169.06516	0.9
171.02913	0.8
171.04320	0.4
171.08125	0.4
172.05206	0.9
174.99228	2.8
175.03882	0.8
175.07687	0.3
176.98938	0.7
183.04430	0.9
184.04974	0.3
185.05879	0.3
186.01570	0.8
187.03963	0.4
187.07565	0.4
189.09151	0.3
196.79657	0.3
197.05951	2.1
199.02373	2.9
199.04015	0.4
200.03021	0.4
200.04691	2.8
201.05388	0.4
211.03894	0.5
212.04776	0.6
213.05495	0.5
215.06955	1.7
225.05508	1.1
227.03531	0.4
227.07091	0.4
228.04115	1.3
229.05005	0.4
229.07486	0.6
230.05975	0.3
239.03424	0.3
241.05058	0.7
243.06570	3.2
252.99803	0.4
253.05000	1.7
255.02821	0.5
255.06485	0.4
256.03671	5.5
257.04199	0.5
258.05338	0.7
268.03571	0.4
269.04529	1.6
269.07462	0.3
270.05319	0.4
271.06021	14.6
273.07602	0.5
281.04501	1.8
283.06046	1.0
284.03168	8.5
285.03696	0.7
285.10132	0.8
286.04715	0.9
297.03925	1.4
297.07315	0.5
299.05502	16.7
300.05847	0.7
301.06989	1.8
311.29620	0.5
313.03491	2.0
314.04297	6.1
314.07913	1.2
329.06570	100.0
329.10101	7.4
330.06879	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	329.0656
Annotation	4,2'-Epoxy-7,4'-dihydroxy-5,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
55.05509	1.3
56.96570	0.9
67.05508	1.3
68.99834	0.8
69.03436	0.8
70.06608	0.8
79.05502	1.2
81.07048	2.2
84.08130	1.1
85.02868	0.5
91.05497	0.8
93.07032	1.7
95.04928	1.2
95.08614	1.6
98.98471	89.4
105.07001	1.8
107.08595	1.3
109.10160	1.6
116.99504	4.5
119.08653	0.7
121.10146	1.5
125.02347	1.2
129.07002	0.7
131.01315	1.4
131.08572	1.4
133.10080	1.0
140.01073	1.5
145.10194	0.7
150.12776	1.4
152.14375	2.2
154.15907	2.9
159.11720	1.3
167.03412	1.1
174.99261	6.5
175.03935	5.4
176.98921	2.5
187.03902	0.7
201.05437	1.2
202.06236	1.0
213.05527	1.2
215.03520	0.8
216.04204	1.4
226.02435	1.0
229.04916	2.3
229.07204	0.8
230.05687	1.9
240.04179	0.7
241.05017	1.8
242.05907	0.8
243.02852	0.7
250.99991	0.8
252.99651	1.0
254.02080	1.3
257.04465	1.4
258.05249	20.8
268.03650	0.8
268.07138	1.0
269.04492	7.1
273.07608	2.6
285.03912	2.6
286.04568	4.2
296.06750	0.9
297.03952	36.9
298.04425	1.8
299.05377	1.0
301.07083	11.6
314.04224	23.0
314.07449	0.9
328.35638	0.9
329.06567	100.0
329.09937	4.1
329.21075	2.0
329.24707	2.0
329.29471	6.8
330.06967	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0647
Annotation	Dalspinin
Peak:m/z	Relative Intensity
52.83124	0.0
53.03942	0.2
55.01863	0.2
56.96567	0.0
57.03437	0.2
61.29850	0.0
62.97840	0.0
65.03939	1.0
67.01860	0.4
67.05490	0.2
68.99427	0.1
68.99783	1.0
69.03418	0.2
69.07060	0.0
69.43525	0.4
70.06609	0.1
71.04979	0.1
72.08146	0.1
74.09737	0.0
77.03917	0.1
79.05492	0.3
81.03412	1.7
81.07052	0.2
83.01337	0.1
83.04968	0.2
84.08117	0.1
85.02419	0.1
85.02900	1.2
86.09720	0.1
89.03912	0.2
91.05467	0.2
93.03397	0.9
93.07032	0.4
93.36372	0.0
95.01321	0.1
95.04967	0.4
95.08581	0.1
97.02880	0.2
97.06499	0.1
98.55097	0.0
98.98460	5.0
99.04417	0.1
103.05454	0.1
105.03358	0.4
105.07018	0.1
106.04125	0.0
107.01300	0.2
107.04945	0.2
107.08603	0.1
109.02872	1.4
109.06481	0.1
110.03639	0.2
111.00799	0.2
111.04431	0.4
115.05433	0.0
116.01122	0.0
116.98688	0.1
116.99486	0.2
117.03372	0.2
119.04941	0.0
119.08606	0.1
120.08099	0.0
121.02862	2.9
121.06450	0.1
121.10120	0.6
123.00793	0.0
123.04404	0.2
123.08066	0.1
123.11653	0.1
124.01591	0.1
125.02361	0.4
125.05942	0.1
127.03912	0.3
127.04737	0.1
129.01823	0.1
129.07045	0.1
131.04883	0.1
131.08598	0.1
133.02861	0.4
133.06619	0.0
134.03653	0.4
135.00777	0.2
135.04408	1.8
136.05196	0.2
137.02332	4.3
137.03331	0.2
137.05962	0.1
138.03110	0.6
139.03862	0.3
141.01820	0.2
141.06956	0.1
145.02780	0.1
145.98599	0.0
147.04376	0.2
149.02328	3.2
149.05925	0.1
149.09587	0.1
151.03888	0.2
152.06233	0.1
153.01816	1.2
153.06953	0.3
161.02325	2.3
161.05925	0.1
162.02641	0.1
163.03900	0.3
163.07556	0.1
165.01825	1.2
165.05522	0.1
165.06964	0.1
166.02545	0.2
167.03389	9.2
167.10651	0.1
168.03737	0.2
169.06502	0.1
170.02127	0.1
171.02924	0.1
171.04358	0.1
173.05930	0.1
174.99210	0.5
175.03928	0.1
175.07574	0.1
176.98943	0.2
177.01828	2.0
177.05370	0.1
178.02338	0.1
179.03369	0.6
181.06476	0.5
181.08534	0.1
183.02893	1.2
184.03717	0.5
184.05185	0.1
185.05861	0.1
189.05507	0.1
193.04993	0.1
195.02882	4.5
196.03242	0.1
197.05954	0.2
198.06700	0.1
199.07614	0.2
201.05402	0.1
202.06261	0.1
203.03325	0.4
206.04478	0.1
209.05992	0.2
211.07437	0.1
213.03868	0.2
213.05618	0.2
215.07008	0.1
216.07800	0.1
217.04918	0.1
218.05724	0.3
219.06499	0.1
225.05338	0.1
226.06200	0.1
227.03178	0.1
227.06999	0.6
229.04941	0.4
230.05580	0.1
231.06390	0.3
237.05383	0.3
240.04263	0.1
241.04886	0.1
243.03088	0.1
243.06433	0.7
244.07176	0.4
245.04439	2.2
246.04782	0.1
247.06273	0.1
253.04999	0.1
254.05777	0.2
255.06497	2.0
256.07019	0.1
257.04446	0.2
257.08032	0.1
258.05249	1.1
259.05914	0.1
263.05505	0.2
265.05029	0.3
267.06195	0.1
269.04321	0.3
271.05994	1.9
272.06747	2.3
273.07443	0.2
282.05191	0.2
283.05994	12.3
284.06412	0.4
285.03909	0.6
285.07483	0.2
286.04697	4.2
287.05316	0.2
293.04501	0.1
299.05484	10.9
300.06250	14.9
301.06958	1.7
311.05472	8.0
312.05862	0.2
314.04099	0.1
328.05170	0.1
329.06512	100.0
330.06854	3.1
330.10123	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	329.0649
Annotation	Dalspinin
Peak:m/z	Relative Intensity
50.20871	0.1
53.00281	0.1
53.03945	0.3
53.77353	0.1
55.01876	0.2
55.05502	0.1
57.03429	0.3
65.03941	1.2
67.01871	0.4
67.05505	0.2
68.99784	1.0
69.03428	0.3
69.20984	0.1
70.06596	0.1
71.60306	0.1
79.01842	0.1
79.05490	0.3
81.02988	0.1
81.03415	1.6
81.07040	0.3
83.01311	0.1
83.04977	0.1
84.08154	0.2
85.02904	0.9
86.09705	0.2
89.03922	0.2
91.05490	0.2
93.03401	1.0
93.07038	0.5
95.01343	0.1
95.04974	0.3
95.08616	0.1
97.02894	0.2
97.06541	0.1
98.98464	7.3
99.04430	0.1
103.05498	0.1
105.03383	0.3
105.07043	0.1
107.01317	0.2
107.04955	0.3
107.08596	0.2
109.02882	1.2
109.06508	0.1
110.03658	0.2
111.00823	0.2
111.04422	0.5
115.05492	0.1
116.98683	0.1
116.99506	0.4
117.03407	0.1
117.07013	0.1
119.08589	0.1
121.02862	3.0
121.06451	0.1
121.10146	0.6
123.04420	0.2
124.01602	0.1
125.02374	0.4
127.03935	0.4
129.01842	0.1
129.06947	0.1
131.04915	0.1
133.02846	0.4
134.03629	0.3
135.00793	0.1
135.04413	1.8
136.05202	0.1
137.02336	3.4
137.03334	0.1
137.05983	0.3
138.03107	0.6
139.03874	0.1
141.01833	0.2
141.89584	0.1
142.08615	0.1
145.02829	0.1
145.06561	0.1
147.04402	0.3
149.01140	0.1
149.02335	2.9
149.05952	0.2
149.09666	0.2
151.03894	0.2
152.01080	0.1
152.06187	0.1
153.01834	1.1
153.05791	0.1
153.07036	0.3
157.06482	0.1
161.02339	2.2
161.05962	0.3
163.03918	0.3
165.01808	1.1
165.07024	0.1
166.02594	0.3
167.03398	7.7
168.03745	0.2
168.80113	0.1
169.06488	0.1
170.02234	0.1
171.02995	0.1
174.99232	0.5
175.07521	0.2
176.98941	0.2
177.01837	1.9
177.05444	0.1
179.03433	0.6
181.06494	0.4
181.08464	0.1
183.02904	1.0
183.04350	0.1
184.03700	0.5
185.05988	0.1
185.11783	0.1
189.05510	0.1
195.02885	4.2
197.05998	0.2
199.07399	0.1
201.05533	0.1
203.03386	0.2
206.04607	0.1
209.05994	0.3
213.03831	0.2
213.05568	0.2
215.07031	0.1
216.04427	0.1
217.04942	0.1
218.05774	0.3
219.06381	0.1
225.05399	0.1
226.06218	0.1
227.07013	0.6
229.04962	0.4
230.05611	0.2
231.06453	0.4
237.05434	0.3
239.06924	0.1
241.05055	0.2
243.06558	0.6
244.07225	0.3
245.04454	1.9
251.07117	0.1
252.99800	0.1
254.05814	0.2
255.06497	2.0
256.07074	0.1
257.04495	0.2
257.08008	0.1
258.05228	1.1
259.05997	0.1
263.05499	0.2
265.05020	0.1
269.04416	0.2
271.06006	1.6
272.06775	2.0
273.07373	0.2
282.05203	0.2
283.06012	10.7
284.06442	0.5
285.03922	0.5
285.07129	0.1
286.04718	4.0
287.05173	0.2
289.29712	0.1
293.04480	0.2
297.11163	0.2
299.05496	9.8
300.06265	13.7
301.06961	1.6
305.08929	0.1
311.05496	7.7
312.05835	0.2
314.04202	0.1
329.06531	100.0
330.06876	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	328.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.4
57.03429	2.5
61.02894	1.6
69.03433	2.0
70.24574	4.7
70.24933	2.3
71.04995	27.3
85.02896	9.8
89.06028	100.0
98.98461	78.6
99.04445	4.9
113.06023	1.9
116.99493	2.2
117.05467	2.5
118.89424	1.4
131.07031	16.0
140.76949	1.2
149.08083	66.1
150.95058	1.4
151.04120	1.3
163.23993	1.3
174.99225	5.6
176.98880	3.0
209.84435	1.4
281.94214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99891	0.8
55.05514	7.3
56.96561	1.7
57.07063	0.9
67.05520	6.9
69.03436	1.6
69.07074	12.7
73.47153	1.0
77.80249	0.8
79.05491	5.2
81.03412	1.0
81.07053	7.3
82.07393	0.9
83.04961	1.7
83.08625	6.6
91.05476	4.2
93.07037	5.0
95.08599	4.7
97.06531	1.7
97.10166	9.1
98.98469	100.0
105.07027	4.7
107.08595	10.2
109.06509	0.8
109.10158	1.7
114.98444	0.8
116.98714	1.3
116.99466	5.0
117.24117	0.7
119.08582	3.0
121.10148	3.0
125.09623	7.7
130.93317	1.4
131.08607	1.0
133.10155	1.2
134.99554	0.9
135.08049	1.4
137.06026	1.8
137.06952	1.0
140.01096	2.1
143.10704	1.0
143.57524	0.9
145.10120	1.2
147.11658	2.8
148.94261	0.9
149.09621	2.1
157.10269	1.0
158.29631	0.9
159.11732	0.9
161.13281	1.3
172.94383	1.9
174.99208	7.9
176.98906	3.9
189.11212	13.7
190.95343	5.0
208.96436	3.6
212.16495	1.0
232.96432	4.9
250.97528	4.9
251.00020	1.6
252.99982	1.0
257.18848	1.4
275.20065	10.0
280.94904	1.4
281.04520	1.3
299.05634	1.2
301.35046	0.9
310.23459	0.8
328.18863	7.0
328.25165	1.6
328.28683	1.6
329.06531	1.4
329.10217	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.4
55.05510	57.6
56.96558	3.4
59.04990	2.2
67.05509	12.4
69.03423	5.8
69.07051	13.3
69.86612	6.3
69.87025	9.2
70.06595	2.8
79.05492	27.6
81.06654	2.5
81.07059	17.2
83.04956	5.6
83.08620	34.1
91.05479	11.1
93.07040	11.0
95.08591	6.6
96.52174	2.1
97.10172	67.6
98.20822	3.1
98.98462	77.2
105.07033	12.1
107.08592	77.9
109.06544	3.7
109.10120	2.4
110.97170	2.5
119.08585	5.9
121.10133	3.8
125.09635	62.3
131.08606	5.1
133.10147	12.5
135.08070	5.8
143.10690	3.3
145.10120	5.0
147.11705	5.6
153.09035	3.0
159.11760	3.2
161.13280	3.5
171.10187	5.5
171.11617	3.0
172.94310	2.7
174.99243	7.3
176.99030	2.8
181.12253	2.8
189.11218	100.0
190.95367	5.6
208.96388	3.4
223.25333	2.4
232.96423	6.2
239.17831	2.6
250.97398	4.9
257.19049	6.4
275.20056	63.7
276.20459	2.8
293.21158	3.5
328.26303	3.3
329.06595	3.1
329.10126	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	327.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05489	0.6
52.35393	0.5
52.61256	0.5
53.03932	1.1
55.01870	0.7
55.05512	8.4
56.96551	0.9
57.03423	1.9
57.07076	3.2
59.05002	1.1
62.26247	0.6
63.61740	0.7
67.05505	11.9
69.03416	2.0
69.07069	19.6
70.73222	1.3
70.73598	1.3
71.04977	1.8
71.08609	1.1
72.08131	1.1
75.92326	0.6
79.05487	6.0
81.03418	2.6
81.07057	24.8
83.04979	1.6
83.08625	7.1
85.02912	0.7
85.06539	2.6
85.10213	0.9
91.05483	6.1
93.07050	9.7
93.07629	0.9
95.04968	2.4
95.08605	19.0
97.02887	0.8
97.06532	2.3
97.10148	3.3
98.98468	100.0
99.08092	2.7
103.05466	1.0
105.07033	4.7
107.08591	7.2
109.02821	0.8
109.06520	1.6
109.10159	11.6
111.08086	2.1
111.11721	3.1
113.09682	0.7
116.99487	4.4
117.07028	1.0
119.08595	4.3
119.41502	0.5
121.02900	0.7
121.06483	1.1
121.10149	4.4
123.04461	0.7
123.08082	1.5
123.11699	5.2
125.09643	1.5
128.06267	0.7
129.07014	1.0
131.04970	1.0
131.08588	1.5
133.02853	1.4
133.10153	3.7
134.03641	5.1
135.04436	0.8
135.08099	1.0
135.11694	3.1
137.02385	0.7
137.06003	5.8
137.09648	1.9
137.13248	3.7
137.33195	0.7
139.11200	1.7
140.01030	1.0
141.06940	1.0
143.05687	0.7
145.06468	0.8
145.10115	1.8
147.11746	3.1
149.02368	1.6
149.05945	0.6
149.13261	5.1
151.03955	1.3
151.07439	0.9
151.11206	1.2
153.07042	1.0
157.10112	1.1
159.11642	1.2
161.06024	0.8
161.13348	1.5
163.07605	1.2
163.14871	1.9
165.07019	0.9
165.09135	1.1
165.12779	0.9
167.14290	0.7
171.11594	0.9
173.11772	1.4
173.13217	0.7
174.99245	10.8
175.03957	1.1
175.07603	0.8
175.14813	1.0
177.05565	1.0
177.16402	0.8
179.08630	0.8
189.07173	0.8
189.16487	0.6
191.17947	0.9
195.13696	0.8
197.05949	1.2
198.06729	0.7
203.06985	1.1
205.12186	0.9
206.07202	0.7
207.08035	1.2
209.05922	0.6
217.19476	1.1
224.08301	1.4
225.05516	1.1
226.06274	1.7
234.06589	0.9
235.07434	1.8
237.05534	1.9
241.04993	0.8
249.09148	0.9
250.97595	1.0
251.00145	1.8
252.07848	1.4
254.05792	0.7
263.07019	0.8
265.05087	0.9
267.10205	2.3
269.08145	0.7
273.25824	1.8
275.20114	0.7
277.08670	1.9
279.06497	0.8
279.26941	1.5
281.04529	1.3
282.05243	9.5
283.05865	0.9
283.09775	0.7
285.11072	0.7
291.19547	1.5
291.26920	1.8
295.09827	1.8
297.07605	9.5
297.27823	3.3
298.08008	1.0
309.27829	3.3
312.06302	9.3
326.61877	0.6
327.08676	40.7
327.12387	7.4
327.25671	1.4
327.29025	1.9
328.09088	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01862	0.8
55.05514	4.1
56.96561	1.9
57.07066	2.4
57.09459	0.7
65.03941	0.7
67.05506	7.5
69.07067	11.9
71.04988	1.5
71.08634	0.8
71.60226	0.7
79.05509	3.6
81.07061	15.3
83.05000	0.7
83.08617	4.2
85.06551	1.3
91.05474	2.9
93.07045	6.7
95.04965	2.1
95.08609	13.1
97.06539	1.6
97.10171	2.8
98.98469	100.0
99.08073	1.1
105.07040	2.9
107.08604	5.7
109.02897	0.8
109.06567	1.0
109.10164	5.8
111.08060	0.8
111.11723	2.3
116.99500	5.1
117.82724	0.6
119.08601	3.1
121.10139	4.8
123.08025	0.8
123.11713	3.9
125.09637	0.7
131.08551	0.7
133.10162	1.9
135.08054	1.0
135.11670	3.1
137.06001	0.9
137.09682	1.4
137.13258	2.3
139.05180	0.7
139.11214	1.1
139.49255	0.6
140.01064	0.9
143.08556	1.1
145.10136	1.0
147.11684	1.7
149.13245	2.8
151.14868	0.9
155.08632	0.7
155.10635	0.8
157.10161	0.8
159.11673	0.7
161.13271	0.7
163.14813	1.4
171.11740	0.6
172.94423	0.6
174.99219	11.3
177.16284	0.7
183.11819	0.8
190.95439	1.6
191.17989	0.7
199.06311	0.6
201.14767	0.7
208.96524	2.0
232.96541	2.3
237.80734	0.8
247.66084	0.6
250.97549	2.4
251.00061	1.8
273.25726	0.8
277.08640	0.7
279.26871	1.5
291.19614	1.1
291.26785	1.4
297.27985	1.9
303.14587	0.7
309.27802	1.5
327.08469	2.9
327.12070	1.0
327.28967	1.6
328.22986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
53.10694	1.1
53.94515	1.1
55.01864	4.0
55.05510	17.2
57.07076	6.9
57.63657	1.2
65.03956	1.4
67.05503	28.4
67.48158	1.1
69.03423	3.2
69.07070	31.8
69.45071	11.3
71.05010	1.7
71.08634	1.4
73.55194	1.2
79.05496	13.0
81.07057	100.0
82.07351	1.6
83.04975	1.2
83.08612	12.2
85.02884	1.6
85.06544	71.2
86.09699	5.7
91.05489	11.5
93.07045	29.6
95.04946	3.9
95.08608	68.4
96.08951	1.2
97.02872	1.4
97.06535	3.8
97.10165	8.3
98.98469	59.1
99.08092	25.2
100.11272	2.4
103.05458	1.1
105.07037	8.3
107.04943	1.7
107.08594	30.6
109.02870	1.5
109.06487	1.9
109.10159	44.4
111.07363	2.2
111.08089	26.7
111.08854	1.4
111.11728	6.4
111.12397	1.7
113.09634	3.3
116.99516	1.5
119.08595	5.4
121.10142	22.1
123.04408	2.5
123.08044	1.3
123.11714	29.1
125.09624	5.0
125.13287	1.6
127.03870	1.2
127.11217	2.2
131.04976	1.3
133.10127	4.4
135.11705	12.9
137.05984	7.7
137.09601	1.3
137.13254	13.1
139.11200	3.7
145.06258	1.2
147.04408	1.9
147.11703	2.8
149.13255	28.3
151.03928	1.6
151.11194	6.4
151.14880	2.2
153.12692	3.0
155.14381	1.7
161.05975	1.6
161.13223	2.6
163.07556	1.9
163.14813	10.3
165.09087	1.8
165.16452	1.3
166.08630	1.4
167.07039	1.2
167.14342	4.9
174.99225	8.6
175.07608	1.5
177.05489	1.5
177.09167	2.0
177.16409	10.6
191.17865	1.5
195.17410	4.7
197.18895	1.5
207.08051	1.6
209.19086	2.0
211.20555	1.9
213.05435	1.2
213.18491	4.8
217.19479	2.1
235.07440	1.6
235.20668	1.9
237.09222	2.0
249.09114	2.4
250.99826	1.5
262.44193	1.2
265.08536	1.2
265.25259	1.3
267.10172	2.9
272.56607	1.3
274.04550	1.2
277.08499	2.0
279.26797	1.9
291.26782	7.3
295.09433	2.2
297.10989	2.0
297.27881	1.5
309.11139	1.7
309.27905	16.5
312.02505	1.7
319.66745	1.2
327.04666	1.7
327.08386	2.7
327.12207	9.8
327.15073	1.2
327.28925	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	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71723	2.4
53.03933	8.0
55.05515	18.5
57.03438	3.2
57.07065	10.6
58.02901	2.5
58.31809	2.7
65.03922	5.9
65.82526	2.9
67.05511	41.2
69.07067	26.6
71.40575	6.1
76.29404	3.0
79.05492	26.2
79.58091	2.8
81.03404	5.7
81.07065	45.8
83.04960	5.0
83.08632	7.3
85.06523	3.5
87.10999	2.9
91.05480	47.6
93.07052	95.3
95.04359	6.1
95.04969	100.0
95.08609	70.1
97.06532	21.6
98.98467	92.7
98.99117	3.9
103.05432	4.8
105.07033	78.3
107.05013	3.6
107.08589	54.8
109.06554	15.6
109.10149	31.6
115.05450	8.2
116.99525	4.2
117.07009	21.6
119.08582	71.9
121.06508	22.8
121.09306	4.8
121.10141	41.6
121.10945	5.2
123.08083	17.3
123.11689	10.1
128.06218	7.1
129.06990	12.4
130.07768	8.3
131.08598	32.4
133.10129	56.9
135.08041	12.6
135.11667	15.6
137.09604	6.8
141.07016	7.0
142.07777	13.6
143.08548	26.5
144.09340	8.3
145.10133	50.7
147.08029	6.3
147.11694	19.0
149.09593	6.2
149.13290	4.2
155.08549	9.3
156.09320	10.1
157.10144	38.5
158.10851	5.7
159.08012	5.1
159.11678	49.9
161.09595	13.7
161.13272	10.5
165.07022	3.9
167.08507	4.6
168.09372	5.5
169.10158	19.7
170.10866	3.7
171.11699	15.0
172.12384	3.0
172.95372	3.2
173.09607	4.5
173.13322	22.8
174.99207	11.3
175.11075	4.8
175.14810	22.3
179.08522	5.6
181.10074	8.0
182.10864	6.0
183.11691	14.7
184.12473	3.6
185.11703	2.8
185.13145	14.2
187.11118	7.9
187.14842	18.1
187.85680	3.2
189.16393	4.2
190.79031	3.3
193.10165	4.6
195.11714	6.2
196.12476	5.6
197.13248	16.6
199.14861	14.1
201.12714	4.8
201.16492	5.3
207.11746	4.0
209.13223	11.7
211.14804	10.8
213.16333	7.8
215.14343	3.9
217.15889	5.4
221.13210	5.5
223.14824	4.1
225.16388	8.3
227.14282	7.2
229.15810	3.6
235.14835	5.2
239.14197	4.2
239.17877	3.7
251.17982	3.0
253.15909	5.6
271.20859	3.4
281.22760	4.7
291.21106	4.1
309.22137	9.1
327.08011	8.3
327.23273	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	327.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.9
55.01870	3.7
55.05516	16.3
57.03420	4.4
57.07067	11.3
65.03928	3.7
67.05502	46.7
69.07063	22.0
70.86252	9.4
71.04999	5.2
72.08142	8.1
74.04542	2.5
75.14706	2.4
77.03875	2.8
79.05493	28.6
81.03411	9.1
81.07056	44.3
83.08612	11.0
86.53519	2.7
91.05478	49.2
93.07039	100.0
95.04967	91.8
95.08609	83.5
97.06536	23.0
97.10155	3.1
98.20721	3.4
98.98463	97.0
105.07026	81.0
107.08588	59.3
109.06512	15.5
109.10143	31.7
113.99841	3.1
115.05442	6.7
116.99557	4.7
117.07012	35.0
119.04907	3.3
119.08572	76.1
121.06504	26.2
121.10153	46.5
123.08079	16.7
123.11697	12.5
128.06213	8.7
129.06984	9.1
130.07777	8.6
130.58044	2.9
131.08556	39.6
133.06439	4.1
133.10120	66.2
134.19981	2.7
135.08052	11.2
135.11667	15.5
137.09624	9.7
141.07056	5.0
142.07762	16.9
143.08548	29.3
144.09326	8.6
145.10123	58.8
146.07166	3.3
147.08006	5.9
147.11720	24.6
149.09593	7.3
149.13248	4.5
151.11183	4.0
155.08549	13.2
156.09349	14.7
157.10118	47.7
158.10909	6.2
159.08078	6.1
159.11685	52.8
161.09613	21.9
161.13240	5.6
165.06895	3.7
166.72858	2.9
169.10153	16.0
170.10880	6.4
171.11685	22.2
172.12451	4.8
173.09657	5.2
173.13281	24.3
174.99245	9.2
175.11232	6.0
175.14839	28.1
179.08562	5.5
181.10014	7.1
183.11710	12.2
185.13248	11.4
187.11214	9.9
187.14780	20.6
189.12724	3.3
189.16472	4.9
191.14357	3.5
195.11745	7.2
196.12390	3.6
197.13167	16.7
199.14851	16.4
201.12801	4.7
201.16347	6.7
205.10153	3.3
205.15848	4.5
206.02571	3.0
209.13211	13.5
210.13898	4.3
211.14774	12.3
213.16318	6.0
215.14204	4.1
217.15875	6.8
221.13206	6.2
223.14764	6.1
225.16388	9.3
227.14349	4.4
229.15880	4.2
235.14838	7.1
239.18040	3.1
249.16353	4.7
265.19489	4.9
281.22681	3.2
283.90601	2.8
291.21100	6.3
309.22119	11.8
310.30966	7.5
327.07938	5.5
327.23160	28.6
327.33685	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	327.0912
Annotation	Tributyltin chloride
Peak:m/z	Relative Intensity
55.53793	0.5
56.16584	0.4
70.06576	0.5
71.58708	0.6
71.59103	0.7
71.71987	0.5
80.85783	0.4
89.23939	0.5
90.48655	0.5
98.98470	1.4
104.10735	5.4
113.34718	0.5
115.41517	0.5
164.03056	98.4
165.03850	26.0
165.05305	0.9
185.04187	0.5
190.94868	0.4
201.04662	1.4
215.33789	0.5
284.26895	0.5
314.35855	0.5
323.08652	0.6
327.09125	100.0
328.09433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25510	0.4
52.50816	0.4
55.05493	0.5
56.05038	5.0
56.24362	0.4
56.96557	1.0
57.07081	5.1
58.06613	1.2
58.15235	0.4
59.06119	1.0
67.05498	0.6
69.03425	1.4
69.07063	0.6
70.06593	1.9
71.28372	1.1
72.08133	0.7
73.07682	5.9
74.06059	0.6
77.01603	0.5
79.05504	0.9
81.03420	0.7
83.06114	1.7
84.04512	5.6
84.08141	1.0
85.02921	1.0
85.06523	2.1
85.07639	0.5
86.09697	0.9
88.04010	0.4
91.05485	0.7
94.06534	0.4
95.05010	0.8
95.06103	6.1
96.08146	0.7
97.02851	0.6
97.07005	0.8
97.07658	36.5
98.98470	100.0
99.05601	1.8
100.03970	1.4
102.05551	2.3
102.09200	0.7
110.06028	1.1
112.08714	1.5
113.07137	1.4
116.98672	0.7
116.99516	5.4
119.04897	0.7
119.08195	1.4
121.02883	0.4
121.06470	0.6
123.04438	1.6
123.09172	0.6
129.06599	1.6
129.50404	0.5
131.04880	0.5
133.06503	0.5
135.04393	0.5
135.08084	0.5
136.07530	0.7
136.08687	1.0
137.05989	1.7
138.10277	1.2
139.03896	0.7
139.08659	1.4
139.12329	1.1
140.01036	1.0
140.07114	0.6
140.10736	0.8
141.06557	2.5
142.12311	0.5
143.08156	11.5
145.06154	1.3
147.04446	0.7
148.07561	0.7
151.03888	1.2
154.08604	0.8
154.09753	7.4
155.08270	0.5
157.06102	3.0
157.13409	4.1
158.09250	3.9
159.07668	1.3
163.03879	1.2
166.08652	1.5
172.10851	1.7
173.01363	0.6
174.99236	11.9
175.07718	0.4
177.05373	0.6
179.12993	0.9
180.11375	2.9
182.09279	6.0
182.12865	1.4
183.07684	6.0
184.10872	1.2
185.12863	3.2
186.11281	2.3
197.13968	2.2
198.09218	0.5
200.10304	7.7
203.13908	1.0
208.10828	1.7
223.07771	0.6
225.13516	8.0
226.11897	8.3
243.14554	3.4
251.00107	1.2
281.19724	2.3
284.16077	2.8
291.09659	0.5
327.20282	69.0
328.13751	0.7
328.20459	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01862	0.4
55.05511	0.7
56.05033	0.7
56.96563	0.9
57.03424	0.4
67.05499	0.7
67.56790	0.3
68.05044	0.3
69.03426	1.1
69.07063	0.7
70.06593	1.8
71.60170	0.4
72.08154	0.7
74.00674	0.5
74.06086	1.0
79.05502	0.7
81.07061	1.0
84.04482	1.8
84.08164	0.7
85.02902	1.6
86.09706	1.1
91.05481	2.9
93.07021	0.9
95.04973	0.8
95.06110	0.5
95.08595	0.5
97.02870	0.7
97.06549	0.7
98.06026	0.3
98.98460	47.3
102.05544	0.5
103.05446	0.5
105.07031	0.9
107.03561	1.3
107.04948	0.9
107.08610	0.6
108.08093	0.4
109.02863	0.4
109.05128	0.9
109.06524	0.5
109.10140	0.4
110.07169	0.4
115.05504	0.4
116.98665	0.9
116.99502	2.4
119.04920	0.5
119.08590	0.4
120.06578	1.5
120.08081	1.6
121.06506	0.4
123.04433	1.6
124.07577	1.0
127.03928	0.6
130.05008	1.0
131.04915	0.5
134.04613	20.0
135.03015	1.2
135.04362	0.5
135.07968	0.3
136.07553	0.4
137.04556	0.3
137.04912	0.3
137.05945	2.7
137.09657	0.5
138.09113	0.5
140.02776	1.0
145.06479	0.5
147.04382	0.8
148.07559	0.5
149.06006	0.6
149.99911	2.1
151.03940	1.9
152.05670	3.7
152.14169	0.3
160.51018	0.3
161.05977	0.6
163.03905	0.6
165.02293	14.1
165.04332	0.7
165.05495	0.6
165.09097	1.0
165.10248	1.0
166.08589	1.0
167.02579	1.3
167.07016	0.5
173.05975	0.5
174.99231	5.8
175.03914	0.5
175.07483	0.4
177.05515	0.4
178.03580	1.8
182.04950	90.2
183.03383	0.6
183.05202	1.5
184.04256	0.9
193.00531	1.4
203.08498	0.4
207.06361	0.4
208.02867	100.0
209.03165	2.4
230.11703	0.7
234.06715	0.4
235.07535	0.7
237.02637	0.5
237.09099	0.4
249.08708	0.4
250.99985	1.0
265.08572	0.6
309.14227	0.4
327.08478	11.4
327.17606	0.7
334.15674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61675	0.5
56.18372	0.6
56.21603	0.5
56.96479	3.2
69.03358	1.5
69.03667	0.5
70.02856	0.5
71.29952	1.2
80.94902	1.0
96.00806	0.8
97.02895	9.9
98.97581	6.7
98.98456	5.6
101.00800	1.0
113.03483	10.3
116.98611	9.2
119.01917	6.9
120.01902	1.0
120.97767	1.3
121.01572	0.9
134.99667	10.6
135.99823	0.8
137.02966	3.0
142.03421	0.9
142.98264	0.6
153.00630	2.6
158.01215	0.7
159.06067	0.9
174.19577	0.5
177.00966	12.9
178.01022	5.8
179.00595	2.0
182.99789	0.8
183.06146	1.3
183.50836	0.6
184.06273	1.6
190.95314	0.7
193.98921	0.6
201.00931	1.0
201.07108	1.7
202.07297	1.9
217.04068	1.8
217.98975	1.2
218.03676	1.3
219.01997	23.7
220.02069	9.0
220.60381	0.6
221.01735	3.7
223.01462	3.0
225.00951	1.6
232.96376	0.6
234.99980	3.0
236.00110	10.4
236.99692	2.6
240.98918	0.6
241.99063	1.4
243.01936	5.4
244.01961	1.6
250.97787	0.6
253.00961	1.8
254.01118	3.4
255.00996	0.7
256.96692	1.6
258.96118	0.6
258.99954	3.2
260.00128	17.4
260.04578	1.3
261.00146	3.6
261.03033	84.0
262.03180	21.4
263.02936	2.8
265.99121	1.8
266.98727	0.9
272.99661	0.7
274.97861	2.2
276.92108	2.3
276.98071	1.0
277.00964	6.1
278.01160	24.1
279.00760	5.9
280.00906	1.0
283.00037	5.1
283.06464	0.7
284.00107	40.8
284.04535	2.3
284.06482	3.1
284.96536	1.2
284.99707	9.8
285.04276	1.4
288.92194	1.3
292.99277	1.0
294.93192	2.7
301.01007	11.5
302.01166	100.0
302.93741	3.1
302.97290	4.6
303.00873	21.8
303.05453	6.5
304.01248	1.1
306.93381	1.1
308.98108	1.6
311.46188	2.2
311.96051	1.9
312.45938	0.6
318.93243	2.4
319.02383	0.7
320.02228	9.3
320.46667	1.9
320.95044	1.8
321.01852	1.8
325.02725	2.3
326.01727	2.2
326.06906	0.8
326.93915	0.8
344.02234	21.7
344.08505	1.2
345.01953	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	325.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01878	1.6
55.05267	1.3
55.05516	19.9
56.96567	1.7
57.03416	1.4
57.07076	5.3
59.04999	2.3
67.05515	14.4
69.03431	6.4
69.07074	100.0
69.40475	2.4
69.40874	7.4
71.04984	4.8
71.08630	3.0
73.06559	1.4
75.63056	1.1
79.05503	11.7
81.03383	1.4
81.06586	2.4
81.07063	46.1
83.04971	4.8
83.08622	8.0
85.06560	8.1
89.03913	4.1
91.05488	11.2
93.07045	22.2
95.04978	6.2
95.08615	42.1
97.02895	1.8
97.06538	7.0
97.10175	4.7
98.97604	1.3
99.08099	6.2
101.05997	3.0
103.05482	1.2
105.07033	9.1
107.04961	2.9
107.08603	16.7
109.06551	2.5
109.10169	20.1
111.08079	9.0
111.11726	31.2
113.09656	1.2
116.33044	1.0
116.98601	1.4
117.03396	5.2
117.06987	1.7
119.04913	1.3
119.08584	6.0
120.97952	1.1
121.06503	1.9
121.10145	11.9
122.03677	1.7
123.08044	2.0
123.11712	13.1
125.09656	3.1
127.03918	1.8
127.11195	2.0
129.06927	1.7
129.12747	2.1
131.04893	1.1
131.08488	1.3
133.02875	12.3
133.10130	3.1
135.04443	10.5
135.11691	11.3
136.12012	1.2
137.05974	14.3
137.13263	4.5
139.11194	25.2
141.06987	1.5
145.02863	7.2
145.10149	4.0
147.04457	1.5
147.08046	1.9
147.11728	5.2
148.01616	1.7
149.05991	2.5
149.09703	1.0
149.13293	5.9
150.06676	1.4
151.07486	1.3
151.11185	2.0
151.14845	2.2
153.12744	4.2
157.12259	4.1
159.11728	3.7
161.06081	1.2
161.13283	2.9
163.03920	59.1
163.07610	2.1
163.11176	3.2
163.14868	3.0
164.04301	2.4
165.12772	3.5
167.14369	1.2
169.06494	1.7
173.13232	1.7
175.03915	2.6
175.07594	6.2
175.14844	2.2
176.01054	6.4
177.01764	1.7
177.06941	1.1
177.16359	1.8
179.14362	1.9
181.06557	3.0
181.12296	1.2
189.09219	1.4
189.16319	1.5
193.36823	1.0
194.02133	10.8
198.22008	1.2
201.05530	2.3
201.09096	1.8
203.17973	1.2
205.06541	2.4
207.06459	1.1
209.05948	2.0
215.18037	1.4
221.06015	1.8
222.06599	1.5
226.06343	1.2
233.06084	2.1
235.20442	1.1
237.03342	1.3
237.05550	4.6
244.09703	2.3
249.05386	1.4
250.06343	2.9
253.04977	4.2
254.05609	1.9
258.05310	2.7
264.07895	1.7
265.04968	11.7
265.08588	3.6
267.06760	1.2
269.08255	1.3
282.05194	1.9
283.05792	1.4
286.04736	4.3
289.25308	4.1
292.07214	1.7
293.04422	6.5
293.08072	4.5
295.26370	3.8
297.07690	2.3
307.09732	3.2
307.26358	17.9
310.04684	9.6
310.07986	1.9
311.05011	1.3
325.07098	63.1
325.10641	6.1
325.16168	6.7
325.21518	1.6
325.27435	9.1
326.07214	7.5
326.10651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01855	2.1
55.05513	21.8
57.03444	3.8
57.07079	5.8
59.05014	2.9
60.55527	1.6
61.02924	2.6
67.05508	24.8
69.03440	10.6
69.07071	83.1
69.93017	7.2
71.05011	4.8
71.08607	1.7
72.08145	1.4
79.05493	32.3
81.03419	3.6
81.07063	87.1
83.05005	5.2
83.08629	10.3
84.04525	3.0
85.02881	3.5
85.06546	14.3
89.03954	3.7
91.05481	16.8
93.07050	37.3
95.04976	13.2
95.08613	48.8
97.02943	2.6
97.06550	7.9
97.10187	5.9
98.21461	1.8
99.04514	1.7
99.08099	10.1
103.05482	2.7
105.07035	21.5
107.04961	3.3
107.08602	36.1
108.10098	1.5
109.06551	6.0
109.10152	27.7
109.10830	2.1
111.08085	12.1
111.11731	20.4
115.05483	3.6
117.03417	4.7
117.07041	4.7
119.08587	16.2
121.06551	3.7
121.10148	23.7
123.04439	1.9
123.08132	3.5
123.11705	15.3
125.09658	2.8
127.03978	2.7
129.07066	3.6
129.12845	1.7
130.05061	2.6
131.04968	4.1
131.08614	5.5
133.02829	9.6
133.10143	11.3
135.04417	15.5
135.08089	2.6
135.11703	30.8
137.05977	24.2
137.13327	3.0
139.11197	14.9
141.07011	3.8
145.02827	7.9
145.06500	2.8
145.10136	8.5
147.08000	6.9
147.11726	11.1
149.09697	4.2
149.13257	15.7
151.07578	4.2
151.11203	1.7
151.14818	2.1
153.12749	14.3
157.12288	2.2
159.11754	7.6
160.05267	2.4
161.06012	2.0
161.13293	7.1
162.26628	1.5
163.03911	68.5
163.07608	4.2
163.11205	3.1
163.14799	3.5
164.04303	4.7
165.12845	6.3
169.06590	5.3
171.11708	1.6
173.13341	2.8
175.07573	20.2
175.14909	2.8
176.07899	2.2
177.16455	3.8
179.14441	3.0
181.05148	1.6
187.01907	1.7
187.11253	2.5
187.14868	1.6
189.09187	2.1
189.16481	2.3
191.08710	1.5
191.10645	2.1
195.17435	2.3
201.05717	1.7
201.09325	1.6
205.06578	3.2
205.12390	1.9
205.15987	1.9
207.08185	1.7
215.10756	2.0
221.06206	2.4
222.06837	1.9
225.18658	1.5
227.20045	2.9
233.06049	2.9
265.08707	3.7
269.12347	2.1
271.24374	3.4
277.25281	3.5
289.25241	10.1
292.07458	2.4
293.08215	4.1
295.26321	3.4
300.22806	1.9
307.09683	3.4
307.15375	4.3
307.26215	7.2
325.11237	7.7
325.16376	100.0
325.27582	4.8
326.16656	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	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
52.76122	0.5
54.21768	0.5
55.01867	1.6
55.05508	15.5
55.23514	0.6
56.93720	0.5
57.03431	1.9
57.07066	4.4
59.05003	2.1
63.20927	0.5
67.05503	9.7
69.03429	3.0
69.07066	100.0
69.75609	4.0
71.04989	1.7
71.08627	1.5
73.06592	0.6
74.37180	0.5
79.05495	5.2
81.03426	0.9
81.07053	30.8
82.07455	0.5
83.04973	1.3
83.08619	8.3
85.06528	6.1
85.10184	0.6
89.03931	0.9
91.05477	3.3
93.07040	9.8
95.04983	1.8
95.08606	27.4
97.02923	0.6
97.06531	5.2
97.10172	3.4
98.20837	1.2
99.08086	7.4
101.06021	2.1
105.07030	5.0
105.07645	0.8
107.04976	0.9
107.08585	10.5
109.06512	1.3
109.10153	14.0
111.08098	2.1
111.11720	26.9
117.03400	0.8
117.07007	1.0
119.08569	4.5
121.06464	0.7
121.10129	9.7
121.54764	0.5
123.08052	0.9
123.11704	5.1
125.09616	1.4
127.11179	1.3
129.12794	2.0
131.08606	1.0
133.02870	1.9
133.10089	2.8
135.04440	2.4
135.08073	1.4
135.11693	5.5
136.82521	0.6
137.05966	2.4
137.09659	1.0
137.13232	3.2
139.11183	22.8
145.02861	1.3
145.10167	1.8
147.11691	2.7
149.06020	0.8
149.09650	0.8
149.13246	3.7
151.11232	1.2
151.14818	3.6
153.12762	2.6
155.10722	0.7
157.12202	4.0
159.11710	1.8
160.94530	0.6
161.05995	0.7
161.13275	2.6
163.03906	13.3
163.11168	0.7
163.14838	1.6
164.04185	1.3
165.12773	1.4
167.14340	1.6
169.06502	0.7
169.15932	0.8
173.13251	1.2
175.03903	0.7
175.07648	1.4
175.14864	0.9
177.12712	0.8
177.16394	1.3
179.14398	2.2
180.14081	0.6
187.14911	1.3
191.17998	0.7
201.05481	1.0
205.06621	0.7
215.18007	1.2
221.06042	0.9
237.09189	0.9
249.05533	0.7
250.06198	0.7
263.23846	0.8
265.08661	1.4
289.25290	3.8
292.07391	0.7
293.07999	0.7
295.26364	2.4
307.09961	1.2
307.26303	20.1
325.07138	2.5
325.10941	2.6
325.14081	0.7
325.16074	2.1
325.27423	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	325.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56922	0.6
53.03947	0.9
55.01877	1.5
55.05512	16.1
56.14781	0.5
57.03440	1.9
57.07078	5.0
59.05000	2.2
60.17648	0.6
67.05510	10.5
67.05840	1.0
69.03437	4.8
69.07070	100.0
70.06599	0.8
70.85664	1.4
71.04992	1.7
71.08632	1.7
73.06563	1.0
74.25329	0.5
77.04028	0.5
79.05499	6.7
81.03414	1.3
81.07062	33.8
83.04972	3.1
83.08140	1.0
83.08625	8.5
84.67513	0.5
85.02917	0.8
85.06551	4.8
85.10177	0.6
89.03937	2.7
91.05486	4.7
93.07050	15.8
95.04981	3.0
95.08609	29.5
97.02859	0.8
97.06526	5.1
97.10183	4.6
99.08092	5.9
101.06024	2.5
103.05484	0.6
105.03389	0.8
105.07042	6.3
107.04967	1.4
107.08595	11.9
109.02846	0.7
109.06543	2.3
109.10158	16.3
111.04474	0.5
111.08092	3.5
111.11722	25.2
113.09558	0.5
115.05520	0.6
117.03352	3.7
117.06985	0.8
119.04963	1.0
119.08578	5.7
121.06565	1.1
121.10141	10.3
123.04436	0.9
123.08099	1.5
123.11720	7.6
125.09637	0.9
127.03912	1.1
127.11183	1.5
129.12761	1.8
131.04990	1.0
131.08598	1.4
133.02846	7.0
133.10118	3.4
134.03679	1.6
135.00783	1.2
135.04420	7.2
135.08063	1.9
135.11694	7.0
137.05956	3.7
137.09621	1.1
137.13272	3.0
139.11185	21.6
145.02866	5.0
145.06465	0.8
145.10164	2.4
146.03146	0.7
147.04453	0.9
147.08061	0.8
147.11678	3.4
148.01524	2.7
149.02362	0.6
149.06006	1.2
149.09732	0.6
149.13255	5.3
150.06787	0.8
151.11179	1.2
151.14838	3.1
152.06323	0.7
153.06952	1.4
153.12753	2.5
155.10733	0.8
157.12206	3.7
159.11699	3.3
161.05928	1.0
161.13274	2.4
163.03914	47.4
163.11159	0.8
163.14832	2.2
164.04291	1.9
165.06992	1.5
165.12788	2.4
167.14339	1.2
169.12277	0.5
173.02348	0.8
173.05940	0.8
173.09634	0.8
173.13252	1.3
175.03963	1.7
175.07561	1.5
175.14828	1.5
176.01036	9.9
177.01828	4.6
177.05489	0.7
177.12697	1.1
177.16371	1.1
179.14334	2.6
181.05060	1.3
181.06534	3.5
181.12314	0.7
183.13799	0.6
187.14937	0.7
189.16391	0.8
191.17984	0.6
194.02115	15.4
194.07217	0.8
195.02493	0.8
201.05522	2.0
201.16382	1.1
205.06470	1.6
209.05975	3.5
211.03967	0.7
221.05983	1.8
222.06755	1.5
226.06281	2.6
233.06049	1.7
233.15417	0.9
236.04608	1.2
237.05449	5.1
237.09180	1.1
244.09618	0.9
247.07735	0.7
249.05334	0.6
250.06180	1.3
253.04970	4.1
253.15778	0.6
254.05719	2.6
255.06448	0.6
263.23822	1.2
264.07993	0.8
265.04965	19.4
265.08496	1.9
269.08191	1.3
271.24277	1.2
277.25339	0.8
278.06082	0.8
281.23044	1.0
282.05234	2.0
289.25238	4.9
292.03693	2.4
292.07150	1.2
293.04507	11.8
293.08054	2.0
294.04782	1.1
295.26340	1.8
297.11169	1.4
307.09674	2.5
307.26321	23.0
308.26794	1.0
310.04718	13.6
311.05133	0.7
325.07077	77.0
325.10486	4.4
325.16159	3.7
325.27432	8.1
326.07446	8.3
326.11215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.17193	0.5
53.03949	1.1
53.53014	0.5
55.01878	1.0
55.05513	13.0
56.96564	0.7
57.03448	1.4
57.07087	2.6
57.07325	0.5
59.04996	1.4
67.05510	7.9
69.03432	3.2
69.07072	100.0
70.07425	0.8
71.04992	1.5
71.08638	1.0
73.02917	0.8
79.05494	4.9
81.03423	0.9
81.07059	20.0
83.05004	2.1
83.08622	4.8
85.02905	0.9
85.06549	4.7
85.10180	0.7
89.03944	0.9
91.05478	3.5
93.07052	10.1
95.04985	2.0
95.08612	23.3
97.02902	0.6
97.06544	5.3
97.10177	3.6
98.08925	0.5
99.08091	3.2
101.06003	3.9
103.05478	0.8
105.07033	4.8
105.36964	0.5
106.96494	0.5
107.04974	1.1
107.08594	8.4
109.06526	1.2
109.10155	8.1
111.08074	3.8
111.11728	27.7
113.06093	0.6
115.05473	0.6
117.03406	1.7
117.07024	0.9
119.04963	0.6
119.08595	4.7
121.06529	1.3
121.10143	8.1
123.08094	1.7
123.11724	5.0
125.09658	1.3
127.03992	0.7
129.07095	0.7
129.12801	2.2
131.08575	1.0
133.02875	4.0
133.10155	2.1
135.04381	3.6
135.08052	0.9
135.11713	6.9
137.02380	0.6
137.05992	5.5
137.09641	1.2
137.13313	1.4
139.10103	1.2
139.11191	24.9
145.02859	2.8
145.06555	0.9
145.10162	1.5
147.08133	0.8
147.11694	1.8
149.05974	0.6
149.13284	2.9
151.11230	1.7
151.14842	2.1
153.12814	1.5
157.10188	0.8
157.12204	3.8
159.11734	2.2
161.05969	1.0
161.13274	2.6
163.03923	19.9
163.07600	1.0
163.11264	0.7
163.14816	0.6
164.04324	1.0
165.12808	1.5
167.14281	0.6
170.15414	0.6
173.13315	1.1
175.07561	2.6
175.14854	0.6
176.01080	0.6
177.07054	0.7
177.16490	0.5
179.14333	0.6
181.06567	0.7
187.14818	0.7
189.09233	0.6
189.16438	1.0
194.02156	1.3
194.07370	0.8
198.14935	1.1
201.05513	0.8
201.09093	0.7
205.06575	1.8
209.05991	0.5
221.05998	0.8
222.06895	0.6
233.06000	1.6
250.06400	1.5
263.16449	0.6
263.23840	1.8
264.07748	0.6
265.04974	0.9
265.08694	2.1
269.08621	0.6
283.09564	0.8
289.25391	2.2
293.04858	0.9
293.08127	2.2
293.11563	1.1
295.26447	2.2
297.11371	0.8
298.28519	0.6
307.09766	1.9
307.26358	7.6
323.30475	0.6
325.07169	6.6
325.10770	4.7
325.14484	2.0
325.21503	0.9
325.27496	4.5
326.07678	0.9
326.11356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
55.01861	18.9
55.05508	37.4
56.96558	6.2
57.03427	9.5
57.07063	11.0
59.04986	4.1
67.05501	66.0
69.03432	11.4
69.07062	40.3
70.15595	15.5
71.04992	8.3
79.05490	48.1
81.03365	4.0
81.07053	100.0
83.04975	10.8
83.08622	24.1
85.02876	4.4
85.06547	6.1
86.92874	4.1
90.49248	4.1
91.05473	42.3
93.07053	51.9
95.04955	16.8
95.08600	58.6
97.06528	24.9
97.10149	7.9
99.08080	6.8
105.07029	48.7
107.04958	5.0
107.08608	39.1
109.06487	14.7
109.10158	33.2
111.08060	10.8
116.98617	4.4
117.07033	13.7
119.08585	31.7
120.23339	4.1
120.84562	5.7
121.06493	5.4
121.10145	24.8
123.08061	13.0
123.11707	11.6
125.09648	7.0
131.08553	16.1
131.21812	4.7
133.06560	4.1
133.10114	28.9
134.99608	4.2
135.08047	10.6
135.11694	19.2
137.09604	13.3
142.22879	5.2
145.10115	13.8
147.11676	31.0
149.09596	14.7
149.13255	10.3
151.11172	9.3
153.12744	5.0
157.10153	8.8
159.11751	11.5
161.09787	5.1
161.13182	7.5
163.11172	16.2
165.12746	8.1
169.10133	4.1
173.13274	8.8
175.11153	4.6
193.12175	6.1
229.19473	4.8
235.16898	4.7
239.17998	5.5
247.20427	7.5
257.18988	12.4
263.20090	25.7
265.21823	4.4
275.20047	71.3
283.12228	13.6
293.21112	21.2
295.22595	6.8
307.22562	15.0
325.07190	6.3
325.13425	8.7
325.25916	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	325.2372
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.03932	5.5
55.01864	15.5
55.05507	33.5
56.96580	4.4
57.03428	7.9
57.07070	6.9
67.05505	63.3
69.03421	5.5
69.07075	45.6
70.02390	15.9
71.04981	7.2
73.96599	3.6
79.05136	3.8
79.05501	38.8
81.03393	4.5
81.06592	5.5
81.07057	100.0
82.13745	3.4
83.04965	9.8
83.08627	18.0
85.06535	4.5
91.05487	38.4
93.07053	47.2
95.04966	13.7
95.08614	45.9
97.06544	20.2
97.10149	9.2
105.07035	37.7
107.04974	7.1
107.08592	32.2
108.65597	3.5
109.06548	16.8
109.10153	25.6
111.04404	5.8
111.08074	9.4
116.45332	3.4
117.06966	5.5
119.08598	28.8
121.06488	7.2
121.10154	28.2
123.08055	9.8
123.11720	6.7
125.09661	6.2
129.07014	3.7
131.08534	11.4
133.10152	28.2
135.08029	7.0
135.11711	18.7
136.71129	3.4
137.09608	10.8
139.11185	3.8
143.08572	3.8
145.10139	18.0
147.11705	28.8
149.09619	14.5
149.13258	8.5
151.11156	7.5
153.12703	6.3
157.10179	5.4
159.11700	9.7
163.11157	12.8
165.12799	9.2
173.09515	3.7
173.13324	8.0
177.12741	4.2
181.12277	4.3
189.12854	4.0
200.57825	4.3
205.12575	4.1
222.97656	4.4
229.19528	5.4
239.17915	4.9
247.20586	8.2
257.19052	12.1
263.20135	22.6
265.21570	4.4
275.20044	57.4
283.12143	6.7
293.21088	19.8
295.22672	6.8
307.22699	16.0
325.23547	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	325.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05506	1.5
56.05033	1.2
56.96549	0.9
57.03426	1.6
57.07067	0.6
61.02921	1.1
67.05499	1.9
68.05042	0.8
69.03106	0.8
69.03432	5.7
69.07059	1.6
69.43187	5.7
70.06577	2.5
71.04981	1.1
75.04456	0.6
79.05476	2.8
80.05032	1.2
81.03400	1.8
81.07042	2.7
82.06567	1.4
83.04983	0.8
83.08623	1.0
84.04507	10.4
84.08128	3.5
85.02427	1.2
85.02911	15.8
86.06053	4.4
86.09703	0.8
87.04445	1.0
89.03898	3.5
91.05486	6.1
93.05756	0.7
93.07041	5.2
94.06545	1.6
95.01337	1.4
95.04976	1.6
95.08607	1.6
96.08126	1.5
97.02877	1.1
98.06006	0.7
98.09658	0.7
98.97503	0.6
99.04436	0.8
102.05534	7.9
105.07034	1.7
107.04945	1.9
107.08593	2.6
108.08115	41.3
109.02834	1.1
109.10156	1.2
110.09687	4.2
112.03944	1.1
114.05537	0.7
116.98602	0.9
117.03381	3.8
117.07003	1.1
119.04928	1.4
119.08590	1.4
120.08083	1.6
121.02864	0.8
121.06541	0.8
121.10162	1.2
122.05996	0.7
122.09648	3.1
123.04394	0.9
123.10451	2.1
123.11739	1.0
123.45474	0.7
124.07622	1.0
124.11208	2.0
127.03920	1.7
129.10262	0.9
130.05003	70.6
131.05051	0.7
133.02850	6.3
134.09673	1.3
135.04430	11.2
135.11696	5.5
136.04817	0.6
136.07576	0.9
137.05992	2.8
138.05540	0.7
138.09119	1.7
145.02812	7.6
145.03674	0.7
145.06493	1.3
145.07571	1.3
146.03090	0.8
147.03247	0.8
147.04439	1.6
147.09164	6.2
150.12787	11.8
151.07549	0.7
151.13545	2.2
152.14340	84.9
153.05452	1.2
153.14792	0.8
154.08582	0.8
154.15884	4.4
161.06050	1.0
163.03905	58.2
164.04204	2.2
175.03909	1.5
176.10931	0.7
177.05482	1.8
178.15941	1.8
179.03333	1.0
181.04945	1.4
182.08153	1.5
186.03119	0.7
191.08163	8.6
193.04942	0.8
196.16974	23.3
201.05449	2.1
205.06554	1.9
233.05988	1.5
235.18047	4.5
236.16576	0.7
236.20047	0.8
261.19791	0.9
264.15948	13.1
265.56616	0.7
266.17587	1.6
268.06833	0.7
279.06485	0.8
281.18591	100.0
282.19135	1.0
283.08813	0.7
283.20197	2.4
289.30313	0.7
293.08148	1.5
297.07382	1.0
307.12836	1.1
308.18530	1.8
325.06775	3.8
325.10437	2.8
325.13736	7.2
325.21231	55.4
325.24585	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	325.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
55.05511	2.3
56.05026	2.4
56.96563	1.7
57.03438	1.9
58.06610	1.1
65.03925	1.9
67.05495	2.8
68.05010	2.2
69.03426	7.3
69.07053	2.4
69.43619	6.1
69.44038	3.1
70.06596	3.0
72.16250	0.9
74.06064	1.1
79.05487	3.9
80.05009	2.8
81.03410	3.0
81.07050	3.6
82.06563	1.8
83.01353	1.3
83.04974	1.9
83.08628	1.1
84.04511	13.0
84.08136	2.7
85.02905	21.0
86.06068	6.7
89.03902	3.3
91.05476	11.7
93.03407	1.9
93.07050	8.1
94.06561	1.9
95.01326	2.4
95.04963	2.3
95.08587	3.4
96.08123	2.4
97.02893	2.5
97.06512	1.3
98.06030	2.5
98.97584	1.2
102.05540	10.2
103.05489	0.9
105.03394	1.3
105.07016	2.8
107.04971	2.6
107.08589	3.7
108.08125	43.3
109.02867	2.9
109.08954	1.5
110.09687	4.6
111.04483	2.2
112.04000	1.1
114.05565	1.4
117.03370	4.7
119.04923	3.4
119.08573	2.2
121.02896	5.1
121.06546	2.0
121.10136	3.5
122.09688	3.4
123.10436	2.5
124.07592	2.7
124.11218	1.3
127.03931	2.7
130.05005	83.0
131.04929	1.2
131.08586	1.4
133.02849	6.9
133.10144	2.0
134.09644	1.1
134.63449	1.0
135.04420	12.0
135.07994	1.0
135.11693	5.2
136.07545	1.3
137.06003	6.4
138.09091	1.5
140.07085	1.7
143.05663	11.0
145.02841	8.5
147.04396	2.3
149.06027	1.9
149.09599	1.4
150.12799	12.7
151.13605	1.2
152.07237	1.1
152.14345	100.0
154.08623	1.9
154.15900	4.8
161.05945	1.6
161.13286	1.2
163.03914	61.0
164.04228	2.6
164.07062	3.0
175.03917	1.9
175.07466	1.2
178.15956	3.6
179.03343	3.2
181.04903	2.0
182.08154	2.3
196.16972	36.7
205.06593	2.0
207.02901	4.0
207.06523	2.5
223.09079	1.6
225.03857	1.2
227.14063	1.1
233.05891	1.6
234.99025	2.0
235.18019	3.7
236.16594	1.6
261.19559	1.6
264.15973	16.0
265.08633	1.3
267.06519	3.8
268.07196	2.4
279.06512	2.2
281.18597	86.1
283.20105	1.1
293.08008	1.9
295.06070	1.7
296.06812	4.0
297.07559	4.0
297.10910	1.2
305.11182	1.1
307.05957	1.7
307.09537	2.2
307.20239	1.1
308.18628	4.6
325.03656	1.5
325.07013	40.7
325.10538	4.3
325.21231	95.5
326.07388	3.9
332.72421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01876	35.7
55.05511	35.9
57.03437	29.8
59.98433	4.4
65.03929	5.0
67.05171	6.3
67.05507	95.3
69.07064	20.6
70.74648	11.8
71.04974	7.9
79.05064	5.6
79.05497	78.1
79.05953	5.4
81.03414	14.3
81.07059	85.0
83.04980	33.9
83.08631	10.3
89.86174	3.2
91.05482	77.9
93.07047	56.0
95.04971	71.6
95.08611	49.8
97.02917	9.6
97.06541	7.4
97.10178	6.4
103.05439	7.6
105.07028	48.1
107.04961	100.0
107.08600	25.6
108.05763	4.9
109.06519	46.7
109.10174	26.7
111.04436	9.4
111.08070	6.6
112.05253	9.7
113.06001	5.1
115.05428	5.3
117.07024	35.2
119.04935	5.5
119.08582	39.4
120.05664	5.6
121.06493	23.2
121.10152	16.4
122.07294	30.4
123.04433	10.1
123.08060	7.8
128.06268	5.3
129.06995	14.1
131.08575	33.8
133.06497	21.5
133.10120	16.8
135.08020	20.0
135.11673	10.6
137.06006	5.6
137.09631	19.1
141.06987	9.0
143.08554	11.1
145.06468	18.2
145.10095	21.2
147.08043	37.4
147.11681	7.5
149.09616	4.6
151.07521	6.2
155.08502	5.4
159.11739	9.5
161.09657	23.7
161.13322	5.8
162.10434	6.8
163.11192	15.4
165.09135	11.7
169.10101	6.5
171.11739	12.1
173.13292	12.2
175.11148	7.8
177.12752	7.3
187.14847	10.5
189.12723	7.6
197.13297	6.8
205.15845	13.2
215.14264	11.4
218.12936	4.5
233.15369	95.4
251.16451	22.6
273.18576	6.0
290.18793	15.7
294.38962	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01863	1.1
55.05514	1.0
56.05036	0.7
56.96587	0.8
57.03435	3.1
61.02905	1.6
65.03939	0.7
65.51540	0.7
67.05500	1.2
69.03441	4.1
69.07077	0.7
70.06575	2.1
71.04979	2.1
71.08627	2.4
72.08142	1.0
79.05506	3.0
80.88792	0.7
81.03414	4.0
81.07052	6.5
81.35021	0.5
83.04974	1.0
84.04469	1.0
84.08150	3.0
85.02896	5.2
85.06518	0.7
86.09697	1.3
89.03912	4.7
91.05480	4.2
95.04961	1.0
97.02879	1.8
97.93764	0.6
98.20734	1.6
99.04448	1.5
99.08091	6.6
103.05481	1.5
105.03429	0.8
105.06992	1.3
107.04952	4.5
109.02879	2.5
109.06515	6.4
115.05450	2.4
116.98653	0.7
117.03377	6.6
117.06994	2.3
117.09129	24.4
119.04919	1.5
119.08589	1.2
120.37831	0.5
121.02896	0.6
121.06496	0.6
122.06080	0.6
123.04404	3.6
124.07608	1.2
127.03907	3.4
127.07547	12.1
129.07013	0.8
130.06494	0.7
131.05011	0.5
131.08566	0.8
131.83986	0.6
132.08093	0.8
133.02853	4.2
134.99638	0.9
135.04416	17.6
135.08003	0.6
136.07559	2.2
137.02292	0.7
137.05998	2.9
140.07066	1.7
143.04880	0.7
144.92682	0.7
145.02838	12.6
145.05444	0.7
145.06494	4.4
147.04393	1.6
147.08011	2.3
149.05960	0.8
150.06749	0.8
151.03906	1.0
154.05005	0.8
157.06483	0.6
160.05078	0.9
161.05965	1.1
163.03903	100.0
163.09651	1.7
164.04269	3.4
167.07063	0.6
168.06622	0.6
173.05991	4.1
175.03952	1.0
175.07564	6.2
177.05553	2.6
181.04913	1.5
182.08084	1.1
187.07581	0.7
192.07877	1.5
199.07639	0.8
201.05487	1.4
203.06898	0.7
205.06711	1.2
205.08563	6.2
207.10135	3.4
211.07553	0.9
233.05994	1.1
233.08162	1.4
235.05919	0.8
235.09645	9.2
246.84143	0.5
247.09766	1.3
251.06920	0.9
259.09668	1.8
261.11197	1.5
265.10739	2.5
283.05606	0.6
289.10748	2.3
293.08194	0.5
307.08347	1.9
307.12079	1.4
325.07031	2.5
325.09927	0.9
325.13400	1.6
325.17407	1.0
325.24927	0.6
326.12134	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	325.1433
Annotation	Glabridin
Peak:m/z	Relative Intensity
53.03946	1.4
55.01890	1.0
55.05510	4.2
56.96545	0.9
57.03434	1.3
57.07068	1.3
65.03915	1.1
67.05500	6.4
68.84767	0.8
69.03433	9.0
69.07079	7.2
71.04991	1.9
71.60522	1.3
71.60899	1.5
72.15165	0.9
77.03960	0.9
79.05495	7.6
81.03414	2.0
81.07056	15.9
83.04987	1.9
83.08612	2.9
85.02885	1.2
85.06548	3.4
89.03920	5.8
90.94358	0.9
91.05482	14.3
93.07034	8.6
94.04189	2.7
95.04961	4.1
95.08608	12.2
97.02876	1.4
97.06541	2.0
97.10189	1.1
99.04453	1.5
99.08117	1.2
100.13779	0.8
103.05448	6.6
103.81577	0.9
104.06264	1.6
105.03367	1.2
105.07031	8.0
107.04958	4.8
107.08598	8.6
109.02907	1.2
109.06510	1.9
109.10143	7.0
110.11602	0.8
111.08074	2.4
111.11729	1.3
115.05431	9.2
117.03385	8.0
117.05499	1.3
117.07015	8.3
119.04967	2.3
119.08571	11.1
121.02869	0.9
121.06512	2.8
121.10162	4.8
122.03663	7.7
123.08109	1.5
123.11730	4.8
127.03916	2.5
128.06233	3.3
129.07013	9.0
131.04929	14.9
131.08542	2.4
132.05713	5.1
133.02864	13.0
133.06476	2.1
133.10132	2.9
135.04427	18.2
135.08058	2.0
135.11700	4.0
137.05978	84.9
137.13275	2.1
139.11165	1.2
141.06996	12.9
145.02863	10.0
145.06506	3.4
145.10121	3.8
146.03583	1.0
147.04401	1.5
147.08052	22.3
147.11711	2.6
149.05983	2.9
149.09692	1.4
149.13295	2.4
151.07501	2.1
157.06500	2.6
158.07289	1.6
159.11731	1.4
160.05232	6.2
161.06001	10.0
163.03909	92.0
163.07545	12.8
163.11180	2.1
163.14824	1.2
164.04332	1.7
165.05553	1.6
165.06927	1.7
169.06497	21.9
170.07329	1.1
171.08081	0.9
173.06035	1.7
173.09633	2.6
173.13329	1.2
174.06737	0.9
175.07553	100.0
176.07922	1.0
177.05403	0.9
177.06953	1.3
177.16341	1.3
179.14552	0.9
181.05009	1.9
186.02951	0.9
186.06796	2.4
187.07536	3.0
188.08316	1.5
189.07271	1.4
189.09099	9.2
190.07690	1.8
191.08597	2.1
191.10645	0.9
192.30466	0.9
193.08679	1.4
194.02174	1.1
194.07260	1.7
201.05513	3.5
201.09137	11.8
203.08510	0.9
205.06485	2.9
205.10133	2.6
207.08107	1.5
215.08534	1.6
218.07387	1.9
219.08047	3.7
221.05956	1.3
222.06770	2.7
233.05969	2.4
233.09642	3.5
235.07454	1.0
236.08353	1.3
237.09093	3.4
239.07016	1.3
247.07552	1.4
249.05560	2.3
250.06316	3.8
251.07127	1.9
253.05141	1.2
253.08636	1.7
258.87598	1.0
261.09174	4.5
263.07007	1.2
264.07813	1.9
265.05276	0.9
265.08649	6.7
265.12204	2.6
271.24268	2.1
275.07339	0.9
275.10690	1.0
277.25259	1.2
278.05972	1.1
278.09335	1.5
279.10117	2.1
281.08258	1.3
282.08914	1.6
289.25308	2.4
292.07285	2.8
293.05057	1.4
293.08102	5.6
293.11340	6.4
295.06216	1.4
295.09457	1.1
297.11429	2.5
307.09879	4.8
307.26379	2.6
310.04993	1.5
310.08374	1.6
310.11737	1.4
325.07013	8.2
325.10675	13.9
325.14371	63.9
326.06888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	licoagrochalcone A
Peak:m/z	Relative Intensity
53.03937	0.7
55.01871	2.2
55.05499	0.8
56.96578	0.8
57.07076	1.1
58.99048	0.6
61.50955	0.7
61.58533	0.6
67.05480	1.3
68.99792	4.6
69.07066	20.9
69.50056	2.4
69.50484	2.1
71.01344	1.6
74.24406	0.7
79.05476	1.6
81.03416	6.2
81.07068	1.0
84.65954	0.6
91.05478	1.9
95.04965	1.6
95.08584	0.6
101.75673	0.6
103.05487	5.7
105.07080	0.6
107.04964	2.2
109.02887	1.0
111.04418	1.3
115.05428	1.0
119.04934	1.6
121.02878	0.9
123.04427	7.2
127.03947	1.2
128.06241	1.2
128.44864	0.7
129.07007	0.9
131.04926	13.5
131.08601	1.5
133.06502	1.1
135.04436	2.1
135.08005	0.7
136.08365	0.8
137.02336	100.0
138.02661	0.8
143.08568	2.6
145.06514	1.2
147.04405	7.5
149.02292	3.2
152.06236	2.0
153.06987	1.3
155.03407	2.3
155.08548	1.3
157.06525	2.5
158.07164	0.6
159.04416	11.8
159.08063	2.1
160.05083	0.8
163.03944	5.0
165.07011	2.3
167.08611	2.5
169.06500	2.3
171.08057	8.2
173.05988	3.8
173.09596	2.3
175.04004	1.0
177.05473	5.4
177.06868	1.1
179.08559	0.9
181.06461	4.3
182.07245	1.0
183.08078	2.8
184.05209	0.8
185.05969	7.4
193.04980	3.8
195.08017	6.6
197.05963	2.4
197.09700	1.4
198.06721	1.8
199.07535	36.4
201.09129	0.7
205.06490	1.3
209.06050	1.4
210.64029	1.5
211.07587	0.9
213.05473	2.0
213.09123	3.5
215.07217	0.7
215.10716	7.2
222.06703	0.8
223.07538	9.7
225.05492	1.6
225.09193	2.5
226.06364	2.9
227.07024	34.0
239.07074	1.1
241.08685	6.6
251.07047	25.5
257.08105	9.0
269.08081	71.1
270.08453	1.3
287.09125	6.3
307.13254	2.0
325.14343	86.3
325.26099	5.5
325.76208	1.9
326.14688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1434
Annotation	Glabridin
Peak:m/z	Relative Intensity
50.01586	0.5
55.01860	0.9
55.05513	0.5
55.92786	0.5
57.03409	0.8
57.07091	0.5
61.02911	0.6
63.07798	0.5
63.22728	0.5
67.05512	1.1
69.03426	2.3
69.07047	1.5
72.08129	0.5
79.05489	2.9
81.07040	2.7
83.08574	0.6
85.06496	0.8
89.03912	1.6
91.05479	10.6
93.07033	1.6
94.04192	2.6
95.04971	1.8
95.08612	1.8
98.91301	0.5
103.05474	6.9
104.06263	0.8
105.07031	3.9
107.04965	2.4
107.08584	1.7
109.06516	1.2
109.10155	1.0
115.05445	9.8
116.06211	0.5
117.03368	1.5
117.05495	0.5
117.07011	8.9
119.04913	0.7
119.08582	8.2
121.06481	0.8
122.03637	7.9
123.11721	0.6
127.03922	1.4
128.06223	4.1
129.07001	10.5
131.04926	17.7
132.05695	6.8
133.02834	1.9
133.06500	1.0
135.04408	5.4
135.08025	1.6
137.05966	96.8
138.06287	1.0
141.06982	15.9
145.02809	2.6
145.06464	4.5
145.10092	1.3
146.03593	0.7
147.08038	29.6
149.05946	0.7
151.07550	2.0
157.06450	3.1
158.07256	1.8
159.08047	1.3
160.05164	5.3
161.05962	7.4
162.06682	0.7
163.03897	25.6
163.07533	15.7
163.11198	1.1
166.07680	0.7
169.06483	22.9
173.09612	1.1
175.07536	100.0
176.07880	1.1
177.09077	0.7
185.05968	0.8
186.06775	2.6
187.07518	2.8
188.08292	1.1
189.09091	13.1
190.07759	1.4
193.08662	1.5
197.71712	0.6
201.09106	12.8
202.09825	0.7
203.08525	1.1
205.06493	1.2
205.10062	1.5
207.08159	0.9
215.08559	1.0
218.07228	1.9
219.08015	0.8
221.06058	0.7
233.05927	1.0
233.09654	5.3
234.06760	0.8
235.07593	0.9
237.08757	0.8
247.07507	0.7
249.08777	0.6
250.06212	0.7
250.09938	1.3
260.08157	0.8
261.09055	4.6
265.08603	1.9
265.12088	3.3
267.06610	0.5
275.10385	0.6
278.09021	0.8
281.07968	0.6
293.07983	1.5
293.11539	4.9
294.12079	0.6
295.09390	0.8
307.09515	0.8
310.12033	1.5
325.10895	3.7
325.14282	64.4
326.14682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1432
Annotation	licoagrochalcone A
Peak:m/z	Relative Intensity
53.03930	1.3
55.01853	2.9
55.05499	2.8
56.96548	1.5
57.07063	0.9
67.05486	5.0
68.99788	3.7
69.03427	1.4
69.07068	20.5
69.34160	2.4
69.34587	5.0
71.01329	1.5
71.08619	1.0
79.05470	3.2
81.03421	8.0
81.07052	4.3
83.04962	1.1
83.08607	2.9
91.05455	3.6
93.07037	5.2
95.04965	3.6
95.08611	3.6
97.06556	1.3
97.10162	1.0
103.05493	6.8
105.07020	3.1
107.04942	2.5
107.08579	2.7
109.06507	0.9
109.10152	1.8
111.04462	1.1
111.08036	1.1
115.05498	1.2
116.98614	0.9
117.03356	1.2
117.07044	0.9
119.04915	2.0
119.08587	1.7
121.02846	0.7
121.10131	3.0
123.04427	8.7
123.11687	1.4
125.09644	0.8
127.03899	1.9
128.06207	2.4
129.07014	2.3
131.04005	1.1
131.04926	12.2
131.08542	2.0
133.06477	2.8
133.10104	1.3
135.04393	2.9
135.11702	1.0
137.02332	100.0
138.02708	1.2
141.06967	1.5
142.07791	1.1
143.08562	3.7
145.06487	2.0
145.10115	2.0
147.04436	7.5
149.05920	0.8
152.06187	2.1
153.06950	1.9
155.03438	1.3
155.08525	2.9
157.06470	3.1
157.10112	2.5
159.04408	11.4
159.08012	2.6
159.11662	1.1
163.03902	9.2
165.06975	2.9
166.07732	1.0
167.08565	3.5
169.06490	3.1
169.10065	1.2
170.07343	0.9
171.08037	7.7
171.11664	1.9
173.05942	3.0
173.09587	2.2
175.03871	1.3
177.05461	4.5
177.06956	2.0
179.08583	2.0
181.06468	5.3
181.09981	1.3
182.07253	0.7
183.08028	3.6
183.11647	1.0
184.05307	1.6
185.05923	7.0
185.09654	1.8
185.13281	0.9
192.66441	0.9
193.10039	1.1
194.10934	0.8
195.08026	6.5
195.11700	1.1
197.06004	1.9
197.09595	1.4
197.13200	1.5
198.06728	1.9
199.07545	37.7
202.68843	0.9
205.06410	1.9
207.11650	1.4
209.05885	1.0
209.13249	1.5
211.14804	0.9
213.05533	1.6
213.09103	3.3
213.12814	1.0
215.10654	7.3
222.06619	1.1
223.07501	10.7
223.14690	1.2
225.09155	3.3
226.06361	4.9
227.07019	45.7
239.07077	1.0
241.08578	6.2
251.07042	21.8
251.14261	1.9
257.08084	8.8
265.04977	0.8
269.08078	65.2
270.08453	1.2
287.09164	10.7
287.22107	1.0
293.04465	0.8
297.22021	1.3
307.13193	1.6
307.20505	1.9
310.12137	1.0
310.57855	0.9
325.06873	2.6
325.14331	68.6
325.21442	4.3
326.14746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01865	1.0
55.05497	1.3
56.05011	1.3
56.96559	1.3
57.03423	3.9
61.02914	1.8
62.27225	0.7
65.03933	0.8
67.05495	1.2
68.05009	0.9
69.03081	0.8
69.03426	13.7
69.07056	2.0
70.06572	2.2
71.01332	0.8
71.04980	2.2
71.59037	1.2
71.59409	0.6
72.08154	1.0
73.02910	1.1
75.04487	1.4
77.03902	0.6
79.05477	4.0
80.05006	0.7
81.03407	2.8
81.07040	2.1
82.06537	0.7
83.04995	0.8
83.06184	0.6
84.04498	5.3
84.08140	5.4
85.02908	9.7
86.06064	2.8
86.09705	1.2
87.04464	0.8
89.03915	5.7
91.05472	7.7
93.07053	4.0
93.07556	0.8
95.04955	1.6
95.08611	1.0
97.02878	2.4
98.09657	0.8
98.97610	0.9
99.04431	2.6
102.05530	4.9
103.05492	1.0
105.06983	1.0
107.04954	2.6
107.08594	1.8
108.08115	22.1
109.02876	1.5
110.06018	0.9
110.07164	0.9
110.09689	2.7
111.04369	0.8
112.03960	0.7
112.07564	0.7
117.03376	6.8
117.05594	1.0
118.06512	1.4
119.04923	1.5
120.08086	1.4
121.02832	0.9
121.10119	1.0
122.05991	0.9
122.09672	1.7
123.04413	2.4
123.10455	1.1
123.11725	0.7
124.07567	1.3
126.05443	0.8
127.03868	3.3
129.06964	0.9
130.04999	35.4
130.08638	1.0
131.04964	0.9
133.02827	6.1
135.04405	16.6
135.11696	3.0
136.07600	1.2
137.05965	3.1
138.09143	0.8
145.02844	11.8
145.03867	0.5
145.06509	1.1
145.07573	5.7
145.10110	0.9
146.03368	0.7
147.04391	2.2
147.09161	59.5
148.09543	0.9
149.05899	1.0
149.09595	0.7
150.12775	5.7
151.03862	0.9
151.13562	0.8
152.14339	45.2
153.05452	1.5
154.15855	2.7
159.09163	2.1
161.05994	1.1
163.03896	100.0
164.04208	1.6
164.07062	0.8
165.05478	1.5
167.06998	0.6
175.03976	1.6
177.05489	1.2
178.05522	0.7
178.15909	1.8
181.04890	1.7
191.08151	70.1
191.42357	0.8
196.16962	12.6
201.05449	1.4
205.06540	1.5
207.06517	0.9
222.06680	0.8
233.05969	1.3
234.06659	0.7
235.17990	1.7
236.16481	1.2
236.20157	1.1
237.02809	1.1
250.06308	0.8
251.07030	0.8
263.13773	2.5
264.07620	0.6
264.15982	6.8
265.08774	0.8
266.17380	0.7
279.06473	1.0
281.08304	0.9
281.14975	32.0
281.18604	53.7
281.21967	2.3
283.20145	1.2
293.08057	2.0
307.09442	1.1
307.12750	7.9
308.18594	1.6
325.07260	2.2
325.10632	6.8
325.13947	53.5
325.21262	27.0
325.24811	4.0
327.07349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.05034	0.9
56.96546	0.9
57.03443	0.5
67.05495	0.4
69.03438	1.5
70.06581	0.5
71.04959	0.3
71.58707	0.5
72.04520	0.3
72.08136	0.4
73.02915	0.7
74.95712	0.3
81.03392	0.8
84.08127	1.1
85.02891	1.7
86.06046	0.4
91.05468	0.9
96.05560	0.3
97.02871	1.4
98.97572	0.6
99.04431	0.4
107.04932	0.4
110.07172	0.5
111.04480	0.6
115.03929	0.4
116.98651	0.5
117.03348	0.4
117.05786	0.5
118.06548	4.0
123.04418	1.9
123.06717	0.4
127.03909	1.1
130.15244	0.3
133.07605	4.9
135.04414	1.4
137.05946	0.7
145.07603	100.0
146.05954	0.3
146.08398	2.8
147.04422	0.8
147.09210	0.5
150.07709	0.7
151.04868	0.9
152.05693	2.3
153.06459	2.5
162.05443	0.4
163.03926	5.6
163.08661	60.9
164.04268	0.4
164.09000	0.5
166.07187	0.4
176.05804	0.5
181.04907	0.5
193.08316	3.2
217.05411	0.4
234.06711	0.3
238.09746	0.3
325.13931	80.3
326.07849	0.4
326.14139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
55.01884	10.1
55.05509	4.2
56.05033	5.7
56.96574	9.7
57.03444	14.3
61.02928	25.0
62.54833	1.7
67.71625	1.7
69.03435	42.2
70.35693	1.8
71.01367	2.3
71.05000	5.7
71.08614	1.8
71.58351	3.5
73.02912	8.9
74.06110	2.5
79.05499	3.0
81.03421	7.8
83.04972	2.7
83.08616	4.2
84.08151	4.6
85.02908	100.0
89.03919	4.2
91.03976	2.5
95.04966	2.1
96.11552	2.0
97.02895	33.9
97.96831	2.2
98.97601	6.4
99.04453	11.4
101.02393	7.6
103.03919	3.1
109.02235	2.3
109.02850	10.5
115.03959	3.7
116.98653	4.4
117.03383	4.2
119.01856	4.6
120.99569	3.5
121.02829	2.4
123.04430	3.8
126.02583	2.4
127.02977	3.6
127.03922	70.2
134.99709	4.0
135.03149	5.4
135.04422	10.0
138.05495	4.4
139.05862	1.9
144.03638	4.4
145.02840	4.2
145.04964	31.5
146.99675	3.1
153.04166	3.4
161.01210	4.3
163.03911	31.0
163.06042	3.1
169.02589	2.7
178.03070	3.3
199.03627	4.3
208.04179	4.5
219.01740	4.2
220.04254	5.5
229.04657	17.7
229.06395	2.0
237.02693	2.9
238.05225	3.7
269.05484	5.0
287.06726	3.3
320.94379	2.1
325.09045	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
51.02366	0.2
53.03942	0.5
55.01865	0.7
56.05033	0.3
57.03425	0.7
61.02922	0.6
63.02363	0.5
69.03431	2.1
69.07110	0.2
69.61157	1.2
70.06584	0.7
71.04981	1.0
71.08609	0.3
72.04510	0.4
73.02920	0.5
79.05502	1.1
81.03402	1.0
81.07059	1.1
83.04971	0.3
84.08139	0.8
85.02911	1.1
86.06096	0.3
86.09672	0.3
89.03915	5.5
91.05473	1.0
93.07038	0.4
95.04971	0.5
97.02875	1.1
99.04448	2.9
99.08078	1.0
105.07011	0.3
107.04964	2.6
109.02879	0.7
109.06493	1.2
110.07141	0.3
111.04441	0.3
113.48986	0.3
115.05454	0.7
116.98656	0.2
117.03380	7.7
117.07026	0.6
117.09130	3.2
119.04942	0.4
121.02876	0.4
121.06510	0.3
122.06005	0.3
123.04407	1.0
124.07593	0.4
127.03919	2.2
127.07576	1.5
129.07027	0.3
131.04953	0.3
132.06543	0.5
133.02847	1.0
135.04419	17.2
136.04752	0.4
136.07561	0.6
137.05991	0.7
139.04025	0.3
139.05049	0.5
140.05429	0.3
144.05705	0.3
145.02846	12.7
145.04861	0.6
145.06487	0.9
147.04376	0.7
147.08046	0.6
150.06767	0.3
151.03883	0.3
161.06003	0.4
163.03903	100.0
164.04218	2.0
164.07137	0.3
165.05475	0.3
167.07036	0.3
171.74155	0.2
173.05966	1.3
175.03928	0.3
175.07530	1.2
177.05432	0.4
179.03380	0.3
181.04964	5.5
181.08627	0.4
187.03970	0.3
192.07829	0.3
195.11232	0.3
196.11600	0.5
201.05467	0.4
203.03505	0.3
205.06662	0.4
205.08598	1.3
207.08374	0.3
207.10196	0.9
211.07419	0.3
227.07089	0.3
235.09676	2.1
243.10175	0.3
250.06253	0.3
251.07085	0.3
259.09729	0.4
261.11313	0.3
265.10767	0.5
277.10858	0.3
293.08121	0.3
307.12204	0.4
325.09534	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.01888	0.4
55.05511	1.6
57.03453	0.6
57.07084	0.3
61.02944	0.8
63.02412	0.4
65.03946	0.5
67.05504	1.7
69.03430	6.2
69.07066	2.8
71.04996	0.3
71.60052	0.5
77.03938	0.4
79.05495	2.5
81.03433	0.9
81.07055	4.1
83.04993	0.4
83.08638	0.8
84.04517	0.4
85.02918	0.6
85.06541	1.2
89.03916	5.2
89.04401	0.4
91.05481	2.3
93.07046	2.7
95.04979	1.1
95.08611	3.7
97.02892	0.7
97.06549	0.6
97.10187	0.5
97.80041	0.2
98.97583	0.4
99.04509	0.5
99.08129	0.5
103.05460	0.4
105.03407	0.6
105.07027	1.6
107.04958	2.6
107.08601	2.4
109.02889	0.6
109.05019	0.2
109.06536	0.4
109.10152	1.7
111.08073	0.6
111.11697	0.5
117.03383	7.2
117.07030	0.4
119.04964	0.6
119.08601	1.2
121.06482	0.5
121.10142	1.6
122.03659	0.3
123.04463	0.6
123.08104	0.3
123.11705	1.0
125.09618	0.3
127.03918	3.1
129.07066	0.3
130.05005	0.6
131.04915	0.5
131.08565	0.5
133.02855	5.5
133.03802	0.4
133.10156	0.7
134.03615	0.3
135.04417	18.4
135.08080	0.4
135.11690	1.3
136.04698	0.2
137.05975	3.1
137.09561	0.3
139.11171	0.7
141.06955	0.3
145.02849	11.8
145.10133	0.5
146.03244	0.3
147.04433	0.5
147.07951	0.5
147.11687	0.7
148.01570	0.5
149.05949	0.8
149.13245	1.0
150.06808	0.3
151.07535	0.4
151.14862	0.2
153.07037	0.4
153.12766	0.4
155.06952	0.2
159.11685	0.3
161.05965	0.8
161.13254	0.5
163.03902	100.0
164.04250	1.8
165.05522	0.6
165.06888	0.4
169.06479	0.6
173.05943	0.4
175.03889	0.9
175.07600	1.6
175.14890	0.3
176.01068	2.5
177.01813	0.9
177.06905	0.4
181.04959	1.0
181.06488	0.8
186.03084	0.5
187.07507	0.3
189.16296	0.3
191.99347	0.3
194.02139	3.8
194.07193	0.3
200.12416	0.3
201.05473	1.3
201.09042	0.3
205.06488	0.7
207.06419	0.3
208.05191	0.3
209.06075	0.4
209.09727	0.3
219.08113	0.3
221.05901	0.7
222.06714	0.4
226.06224	0.6
233.05873	0.9
234.06711	0.4
235.07465	0.3
237.05521	1.4
237.09035	0.6
244.09549	0.2
249.05394	0.6
250.06172	0.8
253.04865	1.1
253.91861	0.2
254.05721	0.6
265.04871	3.5
265.08459	1.0
266.05237	0.3
267.06589	0.3
269.08102	0.2
271.24228	0.4
278.05731	0.4
279.10083	0.3
282.05118	0.3
282.08707	0.3
289.25201	0.4
292.03729	0.5
292.07004	0.4
293.04285	2.3
293.07962	1.2
293.11017	0.2
294.04721	0.3
297.11075	0.5
306.48969	0.2
307.09183	0.8
307.26257	0.8
310.04773	2.7
310.08127	0.5
325.06891	15.7
325.10165	1.7
325.14975	0.8
325.15942	0.9
325.21371	0.3
326.07275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03934	0.4
55.01863	0.4
55.05516	1.1
56.96556	0.1
57.03437	0.4
57.07066	0.4
61.02928	1.3
63.02378	0.2
65.03918	0.2
67.05511	1.4
69.03430	4.6
69.07071	2.2
69.54537	0.9
69.75259	0.1
71.04981	0.4
71.08644	0.1
71.33111	0.1
73.02921	0.2
77.03913	0.2
79.05487	2.0
81.03419	0.4
81.07063	3.7
83.04974	0.4
83.08613	0.4
85.02895	0.6
85.06544	1.0
89.03918	5.0
91.05478	1.2
93.07034	1.6
95.04973	0.9
95.08612	3.4
97.02885	0.7
97.06537	0.5
97.10126	0.3
97.24448	0.1
98.21645	0.2
99.04469	0.2
99.08099	0.3
105.03351	0.3
105.07035	1.3
105.84740	0.1
107.04964	1.9
107.08604	1.6
109.02877	0.4
109.06498	0.4
109.10149	1.8
111.08083	0.7
111.11726	0.4
117.03386	7.5
117.06963	0.2
118.03732	0.1
119.04974	0.3
119.08591	1.0
121.06493	0.3
121.10131	1.3
123.04404	0.3
123.08076	0.2
123.11704	1.5
125.09587	0.2
127.03931	2.2
129.07030	0.2
130.05011	0.2
131.04910	0.2
131.08586	0.4
133.02852	2.1
133.10146	0.8
134.03532	0.2
135.04420	17.0
135.08051	0.4
135.11662	0.9
136.04736	0.5
137.05986	1.0
137.13246	0.4
139.11157	0.6
141.12709	0.2
143.05737	0.2
145.02850	11.7
145.10153	0.6
146.03212	0.3
147.04413	0.2
147.08054	0.4
147.11676	0.4
149.06001	0.3
149.13261	0.6
153.12741	0.3
159.11743	0.3
161.05956	0.3
161.09602	0.2
161.13251	0.3
163.03906	100.0
164.04251	2.4
165.06981	0.2
165.12767	0.2
169.12241	0.1
173.05927	0.2
175.03929	0.5
175.07503	0.4
175.11227	0.6
175.14784	0.2
177.05452	0.3
181.04956	0.9
186.05519	0.2
194.02118	0.2
201.05539	0.5
201.16516	0.2
203.10654	0.3
205.06418	0.4
221.06058	0.3
223.07175	0.2
233.06155	0.2
237.05370	0.2
237.09244	0.2
244.09561	0.2
250.06345	0.3
265.05093	0.3
265.08588	0.4
289.25259	0.4
292.07321	0.3
293.04822	0.2
293.08035	0.5
307.08704	0.3
307.26422	0.6
310.04678	0.2
310.08255	0.2
325.09500	2.8
325.14474	0.2
325.16724	0.2
325.27332	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	325.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
55.01848	0.4
55.05308	0.2
55.05511	2.4
56.96560	0.2
57.03437	0.4
57.07068	0.6
59.04986	0.5
61.02905	0.2
63.82698	0.2
65.03943	0.4
67.05500	2.2
69.03435	1.6
69.07066	7.8
69.68485	0.2
69.68843	1.7
70.06596	0.3
70.07409	0.3
71.04981	0.6
79.05491	2.3
81.03400	0.7
81.07056	5.8
83.04971	0.9
83.08608	1.3
83.98914	0.2
85.06543	1.5
89.03910	1.4
91.05481	2.0
91.44300	0.3
92.02626	0.4
93.07041	3.7
95.04967	1.3
95.08609	3.8
97.06514	0.9
97.10158	0.8
99.08083	0.7
100.11230	0.7
101.05997	0.3
101.11536	0.2
103.05428	0.5
105.03393	0.5
105.07040	1.7
107.04937	0.8
107.08599	2.7
109.02853	0.3
109.06527	0.8
109.10151	2.9
111.04434	0.3
111.08064	0.7
111.11723	1.8
115.05448	0.8
117.03382	1.4
117.07010	0.5
119.04910	0.4
119.08545	1.2
120.02075	1.1
121.02872	0.4
121.06500	0.8
121.10119	2.6
122.03695	0.4
123.04442	0.3
123.08088	0.3
123.11691	1.1
125.09633	0.3
127.03911	0.5
129.06987	0.3
131.04942	0.7
131.08574	0.5
133.02858	2.7
133.10117	0.6
134.03609	1.2
135.00786	1.0
135.04417	3.5
135.08054	0.4
135.11693	1.7
137.05978	3.1
137.13249	0.5
139.11195	2.0
141.07028	0.5
145.02861	2.1
145.10095	0.6
147.04379	0.5
147.08005	0.4
147.11644	0.5
148.01550	3.9
149.02330	0.6
149.05986	0.6
149.09601	0.5
149.13266	0.5
151.03940	0.4
151.07515	0.4
151.11176	0.3
151.14851	0.3
152.06223	0.9
153.07014	2.0
153.12735	1.0
157.12262	0.3
158.10802	0.3
159.11665	0.5
161.02365	0.4
161.05937	0.6
161.13309	0.6
163.03906	16.4
163.07573	0.6
163.11151	0.4
163.14764	0.3
164.04276	0.2
165.05684	0.3
165.07011	1.2
168.13835	0.4
169.06467	0.7
169.10098	0.2
173.02362	1.3
173.05980	0.4
173.09653	0.4
173.13268	0.2
175.03886	0.7
175.07574	1.8
175.14851	0.3
176.01048	11.6
176.06157	0.3
177.01820	4.3
177.05487	0.3
177.06966	0.5
178.07825	0.3
181.04987	0.2
181.06479	4.4
182.15459	0.4
186.03148	0.3
187.11205	0.4
191.08530	0.3
194.02109	21.8
194.07185	0.5
195.08044	0.3
197.05936	0.4
198.06790	0.4
201.05510	1.4
201.09056	0.3
205.06483	1.1
208.05202	0.8
208.08586	0.3
209.05994	4.2
210.14970	0.3
211.03934	0.4
211.07504	0.3
212.04716	0.3
219.08061	0.4
221.05943	1.4
222.06737	0.8
223.07567	0.3
225.05423	1.3
226.06290	2.8
233.06010	0.7
234.06744	0.3
235.07500	0.3
236.04636	1.2
237.05461	8.6
237.09126	0.8
239.07056	0.3
247.07599	0.3
249.05576	0.7
250.06297	1.0
251.07086	0.4
253.04958	7.0
254.05722	3.3
255.06468	0.4
264.04242	0.7
264.07779	0.6
265.04965	22.8
265.08395	1.4
266.05374	0.5
268.03650	0.4
269.08072	1.8
277.04971	0.4
278.05643	0.4
279.06564	0.3
279.10043	0.2
281.04361	0.9
282.05252	3.7
282.08530	0.4
289.25150	0.6
292.03677	2.5
292.07303	1.0
293.04465	18.6
293.07980	1.9
294.04871	0.6
297.07614	3.3
297.11023	0.4
305.54547	0.2
307.06351	0.3
307.09595	1.7
307.26395	1.2
309.03876	0.7
310.04709	16.2
325.07062	100.0
325.10327	4.3
325.27356	0.7
326.07382	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0708
Annotation	Sterigmatocystin
Peak:m/z	Relative Intensity
55.05500	0.7
56.96550	0.3
57.03411	0.2
57.07052	0.2
66.61640	0.1
67.05499	0.6
69.03416	0.2
69.07069	1.3
70.17830	0.3
70.18238	0.7
71.04961	0.2
72.54424	0.2
79.05470	0.5
81.03383	0.3
81.07064	1.4
83.08608	0.3
84.40902	0.2
85.06506	0.4
89.03911	0.5
91.05468	0.5
92.02601	0.3
93.07036	0.9
95.04955	0.5
95.08595	1.1
97.06558	0.3
97.10153	0.3
105.03405	0.3
105.07031	0.4
107.08592	0.7
109.10137	0.6
111.08099	0.3
111.11694	0.2
117.03378	0.3
119.08540	0.3
120.02073	0.8
121.02835	0.3
121.06478	0.3
121.10125	0.5
123.11692	0.4
127.03902	0.3
131.08600	0.3
133.02831	0.6
134.03641	1.3
134.99858	0.2
135.00761	1.3
135.04396	0.7
135.11719	0.3
137.05978	0.6
141.06990	0.2
145.02832	0.6
145.10178	0.3
147.00690	0.2
147.04398	0.3
148.01540	3.5
149.01204	0.2
149.02315	0.4
149.05998	0.5
151.03868	0.4
152.01067	0.2
152.06183	0.9
153.06993	2.4
161.02344	0.3
163.03900	3.6
165.06985	0.9
169.06459	0.3
173.02371	1.8
175.03918	0.7
175.07420	0.2
175.98798	0.3
176.01053	14.8
177.01831	5.2
181.06467	5.0
194.02110	18.8
197.05959	0.6
198.06790	0.6
201.05638	0.2
205.06448	0.3
208.05157	0.7
209.05971	3.6
211.03870	0.7
221.05974	1.6
221.10143	0.2
225.05429	1.6
226.06242	2.6
233.05984	0.2
236.04695	1.2
237.05446	7.4
238.05995	0.2
250.06296	0.2
251.07057	0.3
253.04955	6.6
253.07639	0.3
254.05713	3.8
255.06410	0.5
264.04102	0.5
265.04959	20.9
266.05341	0.5
268.03607	0.3
269.08035	2.4
279.06647	0.3
281.04419	0.8
282.05225	4.2
292.03677	3.0
292.06918	0.3
292.14224	0.4
293.04456	14.1
294.04858	0.5
297.07568	3.6
301.14722	0.5
307.05975	0.3
307.09323	0.3
307.14917	0.3
309.03992	1.0
310.04715	14.4
311.05081	0.4
325.07056	100.0
325.15732	5.2
326.07446	1.3
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
53.03941	0.5
53.85626	0.3
55.01875	0.3
55.05263	0.5
55.05513	5.4
57.03433	0.3
57.07079	1.4
60.04523	0.6
62.06089	100.0
63.06418	0.6
65.03923	0.5
67.05505	17.6
69.07066	6.0
69.07412	0.4
70.02956	0.7
71.05006	0.5
71.08628	1.0
79.05495	4.6
81.07056	16.2
83.08614	2.7
88.04018	0.5
89.67782	0.3
90.67408	0.3
91.05483	2.6
93.07048	3.9
95.04955	0.7
95.08606	13.3
96.08942	0.4
97.06542	0.6
97.10173	1.6
98.06075	0.7
99.04441	0.5
99.08112	0.4
105.07021	1.8
107.08603	1.6
109.10156	5.2
111.08070	0.5
111.11762	0.3
117.20859	0.2
119.08588	1.6
121.10160	1.6
123.11687	2.0
130.08684	0.4
133.10143	1.4
135.11723	1.0
137.13261	0.7
144.10167	0.4
147.11694	0.9
149.13278	1.1
151.14807	0.4
161.13286	1.0
163.14847	0.6
165.16389	0.3
175.14758	0.4
179.17998	0.4
189.16338	0.3
245.22737	1.9
263.23694	1.3
299.45859	0.3
306.27936	3.0
306.84738	0.3
307.26315	4.0
324.28967	14.0
325.29541	0.7
334.16846	0.3
347.43307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0706
Annotation	Sterigmatocystin
Peak:m/z	Relative Intensity
55.05506	5.0
56.96554	1.3
57.07066	1.8
59.04983	2.0
65.03934	0.9
67.05229	0.6
67.05506	7.1
69.03415	2.4
69.07066	17.8
71.01329	0.9
71.04971	1.9
74.57767	0.6
79.05487	6.9
80.05801	0.7
81.07056	17.1
83.04972	1.3
83.08613	4.3
85.06512	1.9
89.03912	1.3
91.05479	3.8
93.07036	10.7
95.04957	2.2
95.08045	1.1
95.08606	13.7
97.02871	1.3
97.06524	2.7
97.10155	2.7
98.18208	0.6
103.05460	4.8
104.05803	2.1
105.07035	5.5
107.04935	3.1
107.08602	9.4
108.05289	1.1
109.06506	1.4
109.10164	6.9
111.08070	1.0
111.11730	4.1
115.05375	0.8
117.03371	1.3
117.06995	1.0
118.06540	1.2
119.04978	1.0
119.08571	4.4
120.02078	0.9
121.02840	0.7
121.06498	0.9
121.10138	5.3
123.08013	1.4
123.11698	4.3
125.09658	1.0
127.03885	0.7
127.07394	0.7
131.04922	1.8
131.08510	1.5
131.83704	0.7
133.02850	2.8
133.10127	3.2
134.03606	1.5
135.04402	2.9
135.08060	1.1
135.11688	5.7
137.05992	3.3
137.09575	0.8
137.13283	3.5
139.11171	2.5
143.08542	0.8
145.02838	2.0
145.10098	1.9
147.04370	1.0
147.08060	1.1
147.11685	1.9
148.01501	3.7
149.09526	0.7
149.13271	4.6
151.03918	0.6
151.11101	0.7
152.06158	1.5
153.06979	2.1
157.10167	1.0
159.11707	2.1
161.05978	0.8
161.13226	2.0
163.03902	17.1
163.07538	1.0
163.11214	0.8
163.14813	0.8
165.07036	1.1
169.06538	0.9
173.02394	1.3
173.13184	0.9
175.07549	2.2
175.14804	1.0
176.01039	10.7
176.14352	4.9
177.01807	4.5
177.06972	0.8
177.13242	0.7
177.14682	4.6
177.16187	1.1
181.06476	4.8
194.02113	19.7
194.07304	0.9
198.23407	0.7
201.05527	1.1
205.06506	0.9
209.05898	4.0
221.05983	2.4
225.05402	1.1
226.06248	2.5
233.05836	0.9
236.04617	1.4
237.05426	6.1
237.09044	1.6
250.06369	1.0
253.04930	5.4
254.05746	3.5
263.16409	0.7
265.04968	21.6
265.08374	1.3
269.08157	1.1
271.24155	1.1
276.45627	0.7
282.05197	2.0
282.08527	0.7
289.25250	2.4
292.03604	2.6
292.07098	1.1
293.04486	14.7
293.07724	1.3
294.05334	0.8
297.07608	1.7
307.09686	1.9
307.26456	3.8
309.04086	1.0
310.04697	15.5
310.08212	1.2
324.19534	2.4
325.07068	100.0
325.10431	5.3
325.19812	20.6
326.07480	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03953	0.6
54.73777	0.2
56.96553	0.3
67.05492	0.4
69.81618	0.5
69.82038	1.1
72.80694	0.2
77.03934	0.5
77.76109	0.2
79.05494	19.2
80.05813	0.3
81.07043	0.5
85.33431	0.2
86.09686	0.5
91.05499	1.0
93.07030	1.4
95.04976	1.4
95.08561	0.3
103.05470	38.4
104.05812	0.5
105.07033	3.0
107.04956	21.0
109.06490	0.3
118.06542	5.7
118.07349	0.4
119.07366	0.3
119.08589	0.3
121.06525	0.9
131.04930	12.3
132.08087	2.1
133.02829	0.3
133.08856	1.4
134.09621	0.5
135.04431	0.4
137.06009	0.2
146.09648	1.9
147.10396	0.4
148.01558	0.3
149.05981	0.9
153.07018	0.3
160.11230	0.9
163.03920	1.3
176.01100	0.9
176.14346	45.7
177.01820	0.4
177.14706	1.1
181.06462	0.5
189.15173	0.3
194.02136	1.6
204.10141	0.2
209.05951	0.3
221.05901	0.4
221.14095	0.3
233.14137	0.7
237.05486	0.5
253.05052	0.7
265.04843	1.8
280.13324	0.3
282.05273	0.4
292.04166	0.2
293.04453	1.0
309.24149	0.2
310.04697	1.4
324.19571	100.0
325.07056	7.7
325.10861	0.4
325.19879	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	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05507	1.1
57.07059	0.6
65.03944	0.5
67.05510	4.4
69.07067	11.1
69.50459	0.5
71.12130	1.5
75.67136	0.5
79.05495	3.2
81.07057	7.9
81.14242	0.5
83.04984	2.6
83.48723	0.5
86.09707	100.0
91.05489	8.6
93.07045	14.3
93.07628	0.6
95.04976	2.1
95.08599	2.1
97.06529	0.5
105.07030	14.2
107.08578	3.0
109.06514	9.4
109.10184	1.1
109.48983	0.5
110.26537	0.4
111.08083	3.0
111.86674	0.5
112.11838	0.6
117.07035	0.7
119.08583	4.1
121.06562	0.6
121.10147	1.3
123.08096	1.8
123.11691	1.1
128.10710	5.4
131.08546	3.1
132.10205	29.4
133.06516	0.6
133.10130	16.5
133.11096	0.9
147.11691	12.1
147.12804	0.8
149.09619	1.0
149.13300	1.1
151.07526	2.5
151.11188	44.5
156.10243	1.6
165.12793	2.3
167.14354	1.0
174.11215	0.7
175.11162	4.0
190.83411	0.5
192.13881	0.8
193.12227	5.0
210.15015	1.1
222.14894	1.1
254.93964	0.5
260.20123	6.7
278.21158	27.7
306.20676	5.1
324.21713	15.8
344.28458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.108
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.8
56.96555	1.3
60.04517	1.0
61.02926	0.8
65.09028	0.5
68.05023	4.3
69.03419	2.0
70.06593	4.6
71.59621	0.7
72.08147	0.6
79.05490	1.5
80.05024	5.1
81.03407	0.9
84.04464	0.7
84.08154	1.6
85.02896	3.0
86.09708	0.7
87.04432	0.5
89.03915	6.3
91.05466	0.9
95.04990	0.9
96.04453	0.6
97.02879	1.5
98.06052	11.6
98.97575	0.9
105.06986	0.7
107.04949	2.2
110.07146	0.5
116.07081	3.1
116.98646	1.1
117.03385	8.6
120.08111	5.4
123.04443	0.7
126.05534	0.9
127.03914	0.5
130.04994	0.5
131.04878	0.7
134.03632	0.7
135.04416	19.6
135.09712	0.6
136.07562	0.7
144.06564	19.4
145.02850	13.5
145.03989	0.7
145.06622	0.6
147.04419	0.9
152.07144	1.2
153.05573	0.6
162.02446	0.9
162.05576	9.5
162.07623	37.4
162.09082	1.5
163.03909	100.0
164.04211	2.2
166.08681	0.9
185.04205	1.2
186.04535	1.1
203.05272	0.8
205.06752	0.6
207.11299	1.6
279.06583	0.8
324.07373	2.3
324.10803	4.5
324.14392	0.8
324.19986	0.6
325.09253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
56.05034	2.9
61.03817	0.5
61.04049	5.1
67.05479	1.1
69.03433	1.2
71.59080	0.8
72.04516	17.2
74.06062	1.3
76.03986	0.7
77.38171	0.6
84.04489	1.8
85.02892	1.0
85.04054	1.0
89.03442	0.7
89.07150	0.9
95.04961	3.3
102.05589	0.7
107.04913	0.6
111.04446	1.3
114.06650	22.3
115.05023	0.7
117.06612	2.1
123.04430	23.5
123.05329	1.3
124.04734	0.7
130.05002	2.8
135.04413	1.5
135.48701	0.6
138.60806	0.7
139.03947	1.0
143.04485	0.8
145.06728	0.6
150.05548	1.2
160.07178	100.0
163.03891	7.1
165.05510	2.6
172.95280	0.6
177.03371	3.8
177.04634	0.6
179.03378	1.0
223.27126	0.6
242.10356	0.7
258.01965	0.7
324.06186	0.7
324.11481	1.4
325.09116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2583
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03948	2.1
55.01873	5.4
55.05514	55.9
56.96549	2.0
57.03440	3.1
57.07071	8.2
67.05509	31.4
69.03440	5.1
69.07071	34.5
70.05138	2.8
70.05548	5.0
71.05000	3.5
71.08643	2.2
78.54137	1.5
79.05507	18.4
81.03446	2.3
81.07063	100.0
83.05028	3.2
83.08627	24.4
84.08170	2.0
85.06541	4.1
86.09710	30.3
87.18149	1.7
91.05483	16.7
93.07051	37.0
95.04983	7.2
95.08610	81.0
96.08942	2.1
97.02900	2.8
97.06547	6.9
97.09552	2.8
97.10178	55.1
99.04432	2.7
99.08099	22.4
101.02392	1.6
105.07044	25.0
107.04959	2.4
107.08598	36.5
109.06532	12.5
109.10160	40.5
111.08109	4.3
113.05982	2.3
113.09651	1.9
117.07034	4.0
119.08592	15.9
121.06552	2.5
121.10143	25.1
123.08102	4.8
123.11707	20.0
125.09630	13.1
127.11195	2.5
129.06996	2.9
131.08589	5.4
132.10219	2.3
133.10146	22.9
135.08081	4.8
135.11693	22.8
137.09602	2.7
137.12273	1.3
137.13266	37.6
139.11206	4.1
143.08604	3.7
143.10693	13.5
145.10144	6.3
147.11699	12.3
149.09528	2.0
149.13264	20.2
151.11201	11.1
151.14888	1.5
153.12778	5.6
157.10201	4.6
159.11691	2.9
161.02911	2.1
161.05959	1.7
161.09650	2.0
161.13263	8.3
163.03966	1.9
163.05423	1.6
163.11116	2.0
163.14845	13.8
165.12727	3.1
175.14883	3.6
177.12804	2.0
177.16412	4.9
179.14380	3.7
185.13271	2.6
189.11293	2.0
189.12836	2.4
189.16383	6.0
199.14937	2.1
203.18045	2.6
205.15910	3.4
207.17564	2.3
209.15343	3.8
217.15958	3.2
221.15497	1.8
223.16957	3.9
227.18198	1.9
235.16896	8.9
244.13130	1.6
249.18611	3.0
259.24258	6.2
262.06430	1.7
262.43887	1.6
263.10831	1.7
269.22626	3.2
273.18542	4.6
277.00958	2.8
277.25317	6.5
278.21158	7.9
287.23700	4.6
291.10120	3.6
291.19623	3.7
305.21341	2.7
305.24731	24.6
323.09286	3.7
323.12820	4.1
323.26111	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	323.2582
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03939	3.3
55.01867	2.5
55.05513	20.6
56.96567	1.6
57.03427	3.4
57.07066	5.4
59.04988	3.4
61.47965	1.0
65.03940	1.9
67.05180	2.1
67.05507	30.4
69.03426	8.6
69.07071	44.7
70.72628	4.2
71.04988	5.6
73.61383	1.2
79.05497	23.2
81.03419	2.1
81.07058	100.0
83.04973	5.4
83.08622	8.2
84.06181	1.2
85.06542	16.7
87.04450	3.9
91.05483	17.7
93.07046	55.8
95.04974	24.7
95.08608	66.7
97.02943	1.4
97.06532	8.7
97.07049	1.5
97.10167	11.9
97.45034	1.3
99.08087	4.4
105.07030	25.1
107.04939	2.7
107.08598	30.2
109.06513	10.4
109.10155	24.4
111.08080	12.2
111.11707	5.5
113.02380	1.2
117.03368	2.0
117.07019	1.9
119.08597	16.5
121.06512	2.4
121.10140	39.6
123.04510	1.5
123.08061	5.9
123.11713	38.7
125.06056	1.3
125.09613	10.3
127.07550	4.0
127.11216	1.4
129.06953	1.4
131.08560	5.4
133.10143	11.9
134.03592	1.4
135.11690	17.6
137.05946	7.1
137.09607	4.1
137.13234	9.7
139.11186	12.9
143.08578	1.6
143.10651	2.4
145.02826	3.6
145.10144	3.8
147.08041	2.0
147.11690	16.6
149.09621	4.7
149.13261	12.6
151.07529	2.7
151.11143	3.6
153.12790	2.8
157.10114	2.9
157.12245	2.4
159.11684	8.5
161.05992	6.1
161.13275	6.0
163.11151	2.3
163.14856	2.9
165.12726	5.8
167.10664	4.6
171.11635	1.7
173.13237	3.8
175.14845	4.3
177.05479	5.3
177.12782	3.1
177.16367	3.3
178.05811	1.6
181.12143	1.3
185.13237	2.3
187.14825	2.9
189.16399	2.3
195.13712	1.4
195.81349	1.2
199.07455	1.7
199.14822	2.3
202.07837	1.8
203.17941	1.9
207.17551	1.6
213.16359	2.8
215.17957	1.4
217.15843	1.5
219.08086	1.4
220.08882	1.2
231.08025	4.0
234.06744	1.4
247.07372	1.3
248.08234	2.6
259.07504	3.2
263.07138	1.6
263.10690	2.5
269.22702	4.3
277.25391	1.7
287.23679	5.0
291.10077	6.6
305.24747	13.2
323.09232	3.1
323.12772	9.0
323.18362	1.5
323.25708	11.5
324.13480	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	14.5
55.05501	34.8
57.03433	6.9
65.03929	6.3
65.42577	6.5
67.05505	73.8
69.07058	25.7
69.55730	27.6
69.56164	18.3
79.05492	49.6
81.03403	7.6
81.07054	89.7
83.04976	15.6
83.08614	16.9
91.05482	54.8
93.07033	50.9
95.04971	13.9
95.08607	40.3
97.02911	5.6
97.06553	9.8
103.88222	5.2
105.07022	59.8
107.04935	17.5
107.08591	53.4
109.06501	13.3
109.10152	51.7
109.55704	5.1
111.04427	5.9
111.08093	12.0
117.07005	9.6
119.08581	22.8
121.06502	16.5
121.10134	19.2
123.08026	6.7
123.11716	11.6
129.06978	8.7
131.04819	5.7
131.08566	21.2
133.06474	14.1
133.10129	100.0
135.08015	10.7
135.11678	16.0
139.07510	14.1
143.08530	12.4
145.10117	15.5
147.08067	7.7
147.11690	6.5
149.09612	20.4
151.11179	86.2
157.10161	6.3
161.09618	20.8
171.11656	6.2
177.09042	10.2
179.10699	12.5
183.13815	26.5
185.13161	6.2
189.12804	9.7
245.19040	18.4
263.20047	18.0
270.29575	6.6
273.18512	36.1
291.19540	79.2
305.21115	15.6
323.22134	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17973	2.3
53.03937	8.4
55.01873	18.9
55.05508	48.0
56.96561	5.0
57.03433	15.0
67.05179	2.1
67.05500	58.5
69.03415	11.9
69.07070	32.9
71.04987	9.7
74.32511	3.0
75.95487	2.5
79.05491	43.9
81.03411	27.0
81.07055	100.0
83.04987	16.8
83.08610	26.3
85.06554	7.5
91.05477	32.8
93.07040	51.4
94.60043	2.7
95.01319	4.3
95.04970	29.3
95.08611	39.2
97.06545	18.5
97.10178	31.1
98.97564	3.5
99.08089	6.5
103.05460	4.3
105.03389	2.8
105.07029	33.0
107.04924	20.4
107.08598	32.5
109.06507	22.0
109.10186	15.3
111.04453	10.1
111.08076	11.0
116.98648	3.5
117.07003	16.2
119.04952	3.7
119.08579	26.7
120.06911	2.7
121.06491	7.7
121.10150	14.4
123.08057	40.1
125.09622	25.6
129.07022	6.3
131.08563	19.3
133.06453	4.7
133.10143	13.9
134.99625	6.2
135.08047	18.2
135.11682	21.2
137.09593	14.9
143.08488	5.5
145.06493	5.1
145.10124	15.9
147.08078	13.5
147.11662	10.6
149.09616	9.4
149.13272	8.4
151.11226	3.1
153.09076	5.8
153.12772	7.5
155.08568	3.4
157.10152	8.4
159.11716	12.8
161.09564	3.8
161.13251	3.7
163.11192	46.6
165.09073	15.1
169.10191	5.0
171.11720	3.2
173.13239	4.6
175.11156	8.0
177.12788	11.6
179.10748	3.4
181.12285	7.8
183.11665	3.3
185.13255	4.3
187.11176	5.0
189.11191	4.3
191.10661	9.4
193.12225	14.7
201.12836	3.9
203.12712	6.9
203.14417	3.9
205.12196	4.5
209.09738	2.8
217.16032	3.6
227.12807	8.4
227.17982	4.8
245.19046	3.5
249.14919	2.9
255.17627	4.7
258.99701	3.7
273.18558	37.2
277.00824	4.2
291.19531	69.7
305.11713	8.8
305.18085	3.9
305.21158	24.5
323.14413	8.9
323.18381	10.3
323.22394	14.3
323.27707	4.1
349.25745	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	323.2217
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.71103	0.6
53.03949	1.2
55.01875	6.8
55.05513	8.2
57.03149	1.3
57.03437	27.9
57.07076	4.3
65.03935	2.1
67.05505	29.1
68.99790	1.3
69.03424	0.9
69.07068	8.8
70.96845	1.8
71.04977	3.3
71.08614	1.4
73.06532	0.7
79.05489	14.1
81.03422	1.4
81.07059	20.9
83.04992	4.8
83.08630	7.4
85.06544	28.8
87.00839	2.3
91.05486	10.6
93.07046	13.5
95.04968	33.1
95.08602	9.8
97.06543	3.7
97.10155	4.9
99.08108	0.7
105.07033	9.8
106.85285	0.6
107.04950	3.2
107.08600	10.6
109.06516	28.3
109.10166	4.0
111.04437	4.0
111.08082	2.5
113.06004	100.0
114.06374	0.8
115.05465	0.9
116.98586	0.7
117.07030	5.6
119.08589	8.2
121.06525	2.3
121.10149	6.8
123.08070	2.3
123.11732	1.7
125.09663	1.5
128.06221	0.9
129.07014	3.5
130.07837	0.9
131.08563	7.9
133.10139	3.8
135.08054	28.0
135.11655	4.6
137.09624	1.4
137.13240	1.1
139.11131	1.0
141.06964	1.1
143.08568	3.0
145.10130	5.1
147.08043	3.1
147.11694	1.9
149.09637	4.0
149.13261	2.3
153.12772	2.0
157.10115	3.2
159.08064	0.7
159.11647	3.7
161.09618	3.6
161.13274	1.3
163.11157	3.6
165.09021	0.9
171.11688	1.6
173.13303	1.7
175.11206	1.8
177.12688	1.4
181.10107	1.0
181.12228	2.7
183.11707	1.5
185.13327	0.9
191.10641	1.2
194.40706	0.7
195.11787	0.9
195.13660	0.8
199.14854	1.9
201.12787	2.1
217.15887	9.0
219.13858	1.0
219.21159	1.8
225.60797	0.7
227.12782	2.1
227.17827	1.1
233.15266	0.7
237.22145	2.2
255.17450	2.5
273.18512	14.2
277.00970	1.6
291.19534	41.2
305.21051	2.9
323.22028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01868	5.0
55.05509	28.8
57.03417	1.9
57.07063	1.2
59.04985	1.2
62.06085	2.7
65.03922	0.9
67.05503	17.0
69.03430	5.0
69.07066	14.5
70.18961	2.7
71.04983	1.1
74.40646	0.6
79.05492	16.4
81.03410	3.7
81.07055	16.0
83.04961	3.2
83.08612	12.7
85.06507	0.7
91.05479	11.5
93.06477	0.7
93.07044	12.6
95.01313	1.3
95.04964	5.1
95.08606	8.8
97.02930	3.0
97.06498	1.9
97.10168	22.5
105.07024	9.1
106.06641	0.5
107.04952	5.0
107.08597	12.6
109.02827	0.7
109.06509	1.9
109.10138	5.2
111.04421	1.0
111.08064	1.9
116.98603	0.5
117.07011	4.5
119.04956	1.8
119.08561	7.2
121.06503	2.5
121.10143	4.5
121.76451	0.5
123.08075	7.3
123.11724	0.9
125.09625	20.6
129.06981	1.9
131.08553	6.3
132.05756	0.6
133.06508	3.5
133.10127	3.3
134.07324	0.6
135.08044	5.5
135.11673	1.4
137.09581	2.5
143.08539	2.3
145.10132	4.3
147.08052	4.2
147.11624	3.0
149.09602	2.3
149.13292	0.8
153.09109	3.2
155.08560	0.7
157.10144	1.4
157.12239	1.4
158.98618	0.5
159.11711	1.9
161.09622	2.1
161.13274	0.7
162.10414	1.0
163.11148	1.4
165.09079	2.8
169.10143	1.4
169.12131	0.7
171.10239	0.8
171.11650	1.4
175.11180	1.9
179.10686	0.6
189.11221	0.7
189.12767	0.9
193.12210	0.9
199.11020	0.8
203.12775	11.0
221.11845	0.7
223.13257	10.8
227.12779	0.7
227.17897	0.9
245.18990	1.5
249.14830	1.1
255.17413	0.9
263.20074	1.1
272.88760	0.6
273.18484	9.8
277.00870	1.0
291.19531	100.0
292.19922	3.4
305.21103	26.1
323.22171	6.5
323.27771	0.8
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
50.00795	0.8
52.49972	0.8
53.03932	1.4
55.01869	6.7
55.05513	41.1
57.03435	3.6
59.04997	1.5
67.05505	24.4
69.03434	6.2
69.07065	19.7
69.62782	0.7
69.77456	0.8
70.13976	2.0
70.14369	1.7
71.05006	1.5
79.05495	22.2
81.03410	3.2
81.07057	28.7
83.04993	4.4
83.08619	19.6
85.06537	1.7
89.22942	0.9
91.05473	15.6
93.07040	18.2
95.01363	1.4
95.04974	11.0
95.08612	12.8
97.02905	2.5
97.06521	3.4
97.10173	31.1
99.08080	1.1
102.12470	0.8
103.05495	0.9
105.07024	13.8
107.04959	6.1
107.08593	17.4
107.09290	1.2
109.02902	1.2
109.06506	3.2
109.10158	7.7
111.04443	0.8
111.08094	2.9
115.05479	1.3
115.66222	0.9
117.07031	5.0
119.04916	1.0
119.08579	10.4
121.06483	4.7
121.10144	7.4
123.04410	1.0
123.08060	11.5
123.11728	1.7
123.82534	1.0
125.09631	30.5
129.07005	2.9
131.08562	7.0
133.06493	3.1
133.10120	5.5
134.07288	0.9
134.99690	0.9
135.08049	7.2
135.11713	3.3
137.09627	2.7
139.11174	1.6
143.08559	2.1
145.06415	1.1
145.10159	6.2
147.08058	6.7
147.11696	3.9
149.09697	1.8
149.13232	1.8
153.09123	6.0
157.10153	2.1
157.12241	2.1
159.11674	2.3
161.09644	2.5
163.11156	2.6
165.09105	3.7
171.10266	0.9
171.11699	1.9
175.11176	2.3
177.12900	1.4
185.13297	0.9
187.13231	1.2
189.11247	1.1
189.12776	1.5
193.12282	3.3
195.11699	0.8
199.11172	1.0
203.12753	16.0
203.14497	1.1
205.12190	1.5
221.11678	0.8
223.13312	10.9
225.14818	2.1
227.17920	1.2
235.13173	1.3
237.14803	1.5
245.18962	2.0
249.14764	1.7
255.17546	2.7
256.38135	0.8
263.20102	2.5
273.18515	15.1
277.00821	1.2
279.89865	0.9
291.19534	100.0
292.19794	1.9
305.21118	28.3
305.24548	1.9
323.22214	7.5
323.25842	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01875	13.3
55.05271	2.8
55.05512	43.1
57.03423	7.0
57.07066	5.6
59.04984	3.6
65.03930	3.0
67.05505	68.1
69.03416	5.7
69.07069	27.4
69.13361	1.5
69.88721	9.3
71.04983	6.0
77.03931	2.2
79.05063	2.7
79.05497	52.3
81.03410	4.9
81.06583	3.8
81.07058	71.1
83.01321	6.9
83.04985	16.8
83.08623	12.8
83.84781	1.5
85.02882	1.7
85.06551	6.9
91.05480	50.3
93.07046	60.5
95.04964	18.6
95.08607	44.6
97.02902	2.8
97.06538	11.8
97.10170	8.0
98.21417	2.4
99.04462	2.4
99.08111	4.1
105.07029	49.1
105.40065	1.7
107.04970	15.0
107.08595	45.4
108.10514	1.7
108.48419	1.9
109.06510	15.4
109.10162	38.5
111.04433	10.7
111.08080	15.7
115.05447	2.5
117.07020	12.0
119.04947	2.1
119.08583	22.2
121.06493	19.7
121.10123	17.6
123.04409	6.3
123.08039	7.3
123.11708	9.9
125.05975	5.0
128.06210	3.3
129.06970	9.9
131.08566	20.4
133.06505	16.4
133.10135	64.0
135.08063	9.7
135.11736	10.5
137.05956	5.7
137.09589	5.3
137.13210	2.0
139.07529	9.9
141.09096	3.3
142.07767	2.2
143.08580	12.4
145.06477	3.6
145.10129	15.6
147.08063	12.1
147.11656	11.7
149.09636	10.0
149.13255	3.7
151.07533	4.6
151.11191	57.0
153.09077	3.4
153.12775	2.3
157.10150	7.0
159.08081	5.3
159.11703	6.4
161.09656	18.1
161.13249	6.3
163.11182	6.7
165.09090	5.6
165.12744	2.5
167.10760	2.5
171.08014	2.1
171.11693	10.6
173.09651	3.6
173.13249	2.1
175.11227	10.9
175.12544	2.0
175.14792	1.9
177.09131	5.0
177.12773	3.1
179.10704	9.8
179.14282	2.4
181.08667	2.8
181.12228	2.6
183.13808	19.3
185.13330	5.0
187.11150	3.4
189.12714	7.0
199.11186	2.5
201.55515	2.2
203.14314	6.3
207.13866	5.1
213.12724	3.4
217.12216	6.6
223.13272	4.0
227.17943	5.3
229.14241	3.8
231.17439	2.2
235.13066	3.6
237.16435	2.1
245.19080	16.6
255.17461	5.0
263.20081	20.9
273.18506	48.3
291.19540	100.0
292.19974	1.8
305.21252	10.2
323.22238	43.6
328.94785	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01870	52.6
55.05511	42.6
57.03429	14.3
65.76974	3.4
67.05504	100.0
67.14272	3.6
68.99790	5.6
69.03427	12.5
69.07066	70.7
69.75639	3.8
69.84221	26.8
71.01362	9.0
71.04999	9.5
71.08627	4.7
73.26204	3.9
79.05492	59.1
81.03407	23.6
81.07051	78.8
83.04974	13.6
83.08620	17.1
85.02885	5.1
85.06550	14.1
85.32994	4.5
91.05481	54.8
93.07042	59.0
95.04961	37.0
95.08595	67.1
97.02893	16.7
97.06522	78.7
97.10152	21.5
98.20790	4.8
105.07036	41.9
107.04930	11.1
107.08588	43.4
107.54424	3.9
109.06513	18.3
109.10150	36.2
111.04449	7.6
111.08071	12.7
113.05989	21.9
117.06995	12.7
119.08569	25.4
121.06497	13.3
121.10145	25.6
123.04450	5.3
123.08078	26.2
123.11710	10.3
125.05927	4.1
125.09637	21.6
129.06996	6.8
131.08571	17.8
133.06512	6.2
133.10114	28.1
135.08035	22.3
135.11723	12.8
137.06010	5.3
137.09624	22.8
138.44514	4.0
139.07547	13.5
143.08546	11.3
145.10130	14.1
147.08014	8.3
147.11694	8.0
149.09613	17.8
149.13293	11.2
151.11182	15.0
153.08932	4.0
157.10129	8.3
159.11687	7.6
161.09622	13.6
161.13260	4.4
165.09103	4.5
165.67651	4.3
169.10060	5.5
174.19746	3.7
175.11195	10.4
177.12781	6.7
179.10655	4.9
181.10083	4.1
195.13826	7.9
201.79909	3.9
203.12706	6.9
204.46510	4.0
221.11917	4.9
221.15436	8.7
226.49475	3.8
227.17963	6.4
255.17392	7.4
273.18484	34.2
291.19513	62.8
305.21185	20.1
323.22253	26.5
323.25571	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	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.77291	1.2
55.01861	2.4
55.05507	4.4
58.00043	1.3
64.44016	1.4
67.05499	4.1
69.03416	1.7
69.07068	8.4
70.77602	4.1
71.04992	1.8
78.09879	1.3
79.05486	5.5
81.07056	13.3
83.08623	3.4
85.06535	4.0
91.05472	5.7
93.07037	7.9
94.04167	3.0
95.04942	2.9
95.08619	10.4
99.08080	3.6
103.05439	3.6
104.95741	1.5
105.07034	16.6
107.04945	2.2
107.08597	5.1
109.06497	5.7
109.10154	10.6
111.08042	2.8
112.95534	1.3
115.05460	4.7
119.08584	3.5
119.80649	1.6
121.10158	4.5
122.03646	5.5
123.11712	3.1
128.06206	1.6
129.07051	1.5
131.04845	1.9
131.08604	1.9
133.06493	10.4
133.10153	3.0
135.11653	2.0
137.05975	65.2
139.05383	1.2
139.11250	2.2
143.08630	1.8
145.10080	2.5
146.03606	8.7
147.04456	2.0
147.07964	1.6
149.05978	2.4
149.13297	2.0
151.11261	1.7
153.12782	1.5
161.05978	100.0
162.06464	2.1
163.11201	1.6
167.04895	2.2
171.08005	2.5
175.07506	1.8
184.05267	3.6
191.08525	4.6
192.09343	3.7
199.07535	24.5
202.07761	27.7
203.08551	43.8
204.09279	2.3
205.06557	3.3
213.06985	2.2
215.08691	2.0
219.08038	12.5
220.08794	12.6
221.09587	2.3
230.07297	5.6
231.08054	67.2
232.08826	11.6
233.05795	1.6
233.09590	2.0
235.07455	2.3
235.11246	4.1
237.09091	3.2
239.65155	1.3
242.07343	2.1
243.07971	2.1
245.09605	3.2
247.07556	11.3
248.08318	34.3
249.09039	4.5
258.06775	6.3
259.07529	51.7
260.08344	28.4
261.08966	4.3
262.09906	2.3
263.10681	29.1
265.08566	6.8
273.08923	1.5
274.05698	1.9
275.07108	5.7
276.07788	26.7
277.08725	9.1
278.35440	1.6
280.10739	2.0
290.09369	3.1
291.10138	94.2
292.10889	15.5
293.08209	10.8
295.13266	6.7
305.24649	3.8
307.09537	2.4
308.07401	1.5
308.10254	8.2
323.12775	98.4
323.25867	12.2
324.12994	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	323.1278
Annotation	Kanzonol B
Peak:m/z	Relative Intensity
51.05454	0.2
53.03939	0.5
55.01862	0.8
55.05499	0.7
56.96569	0.4
57.03431	0.3
61.02905	0.2
65.03926	0.3
67.05511	1.3
68.99796	1.2
69.03418	0.7
69.07054	0.5
70.92801	0.6
71.08630	0.2
79.05475	0.8
81.03419	7.2
81.07053	1.5
82.30779	0.2
83.05004	0.3
91.05478	1.5
93.07040	1.1
95.04961	0.6
95.08595	1.0
96.02126	0.4
97.02959	0.3
97.06515	0.3
97.10170	0.3
98.97535	0.3
102.70315	0.3
105.07043	1.8
107.04967	1.7
107.08591	1.0
109.02879	0.9
109.10159	0.7
111.04436	0.8
115.05460	1.0
117.03349	0.4
117.07017	0.8
119.04939	1.0
119.08588	0.9
121.06515	0.4
121.10131	0.4
123.04433	1.3
127.03908	1.2
128.06207	0.9
129.05188	0.2
129.07010	1.2
130.07782	0.4
131.04912	0.8
131.08583	0.4
133.06497	0.9
133.10098	0.7
134.56320	0.2
135.04391	1.3
135.11740	0.3
137.02335	100.0
138.02679	0.8
139.03891	0.5
141.06982	0.6
142.07788	0.9
143.04906	0.8
143.08569	0.8
144.05701	0.8
145.02824	0.6
145.06503	1.6
145.10114	1.2
147.04396	1.3
152.06210	1.7
153.07063	0.3
153.88472	0.2
155.03413	1.9
155.06053	0.3
155.08556	0.7
157.06487	1.7
157.10136	0.8
158.07274	1.8
159.04388	0.5
159.08119	0.6
159.11742	0.3
161.05960	0.6
161.09639	0.8
163.03911	9.1
165.06937	1.2
167.08568	3.9
169.06520	1.1
170.07271	1.8
171.04414	1.9
171.08046	5.1
173.09636	3.4
177.05484	0.6
181.06435	1.3
183.08041	0.8
184.05264	0.3
185.06010	0.5
185.09616	3.3
187.11150	1.8
195.08047	13.7
196.08749	0.7
197.05969	1.3
197.13306	0.4
198.06769	2.5
199.07370	0.3
203.08548	0.5
213.09102	18.4
214.09479	0.4
219.07970	0.3
220.08896	0.3
231.07999	0.6
234.10432	0.3
235.11150	0.4
247.07532	0.6
248.08292	0.5
253.12294	0.3
261.09009	0.5
262.09830	0.7
263.10587	0.4
273.09045	0.4
275.07056	0.6
277.12234	0.8
281.08115	0.4
281.11780	0.5
287.10748	0.4
289.08685	0.5
290.09308	1.4
291.10165	0.7
293.07990	0.5
295.13715	0.3
305.11743	4.9
308.10327	1.9
323.12762	53.0
324.13171	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1276
Annotation	Kanzonol B
Peak:m/z	Relative Intensity
55.01857	2.4
55.05510	1.8
56.96555	1.0
57.03435	0.9
65.03954	0.7
67.05505	4.1
67.23454	0.8
68.99773	2.0
69.03436	0.9
69.07059	2.9
70.44796	2.5
70.45203	1.3
73.02930	1.0
78.44234	0.8
79.05498	2.6
81.03430	7.6
81.07065	3.9
83.05003	1.2
83.08623	1.0
88.21326	0.8
91.05488	5.9
91.97089	0.8
93.07037	3.3
95.04947	1.2
95.08601	3.3
97.02876	1.4
97.06522	3.4
105.07047	1.9
107.04957	2.2
107.08604	1.6
109.06487	1.3
109.10140	1.6
111.04453	1.2
111.67963	0.7
113.05994	2.2
116.98608	0.7
117.03374	0.9
117.06992	0.9
119.04973	1.3
119.08592	1.6
121.10147	1.2
123.04454	1.8
125.09692	1.1
127.03905	1.1
129.07008	1.5
133.10124	2.4
135.04424	1.5
135.08086	1.2
137.02336	98.4
138.02695	1.0
143.04892	1.0
143.08524	1.1
147.04419	0.9
147.11703	1.2
151.11287	1.0
152.06203	3.0
155.03363	2.7
157.06490	2.0
157.10143	1.4
161.09669	1.5
163.03900	12.0
165.07002	1.4
167.08545	4.0
170.07268	1.6
171.04431	1.8
171.08032	6.7
175.11188	0.9
178.62802	0.9
181.06448	1.6
183.08200	0.9
185.09677	3.1
187.11176	1.4
195.08046	19.5
197.05980	1.8
198.06786	2.5
213.09099	19.7
213.11002	1.6
242.65060	1.0
262.10083	1.0
273.18634	1.4
277.00644	1.0
277.12183	0.8
287.10883	0.9
290.09387	2.2
291.19589	3.1
305.11713	5.3
308.10400	2.0
323.12778	100.0
324.13229	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05516	4.0
56.96561	1.6
57.03436	0.5
57.07080	2.2
60.04520	1.8
61.02921	0.7
62.06089	100.0
65.03937	0.6
67.05504	18.1
69.03443	0.6
69.07069	3.5
70.02969	0.5
70.10891	1.7
71.04990	0.5
71.08627	0.4
79.05490	12.7
81.07056	17.1
82.07433	0.6
83.04984	0.5
83.08612	2.1
85.02911	0.5
85.06543	0.7
91.05477	5.1
93.07043	13.7
95.04980	1.6
95.08606	14.6
97.02897	0.4
97.06573	1.1
97.10215	0.5
98.20840	0.6
99.04449	0.4
99.08100	0.7
105.07024	4.3
105.07613	0.5
106.07356	0.5
107.08591	8.8
109.06511	0.5
109.10162	6.8
110.10515	0.7
111.08086	0.6
111.86092	0.4
116.98631	0.4
117.07043	1.6
119.08606	3.2
121.10143	6.7
123.08101	0.9
123.11736	1.7
130.08705	0.7
131.08556	4.1
133.10139	2.3
134.10490	0.5
135.08105	0.4
135.11687	4.3
137.13292	0.8
144.10254	0.9
145.09198	0.4
145.10133	2.3
147.11673	2.2
149.09671	0.7
149.13261	2.5
151.14830	1.0
158.11806	0.8
159.11702	2.2
161.13335	1.7
163.11122	0.6
163.14864	1.8
164.48573	0.4
165.16495	0.6
172.13368	0.9
173.13391	1.6
177.16437	2.6
186.14960	1.0
187.14876	1.3
198.03627	0.5
200.16525	0.8
214.18036	0.7
217.07552	0.6
219.21109	0.7
226.18137	0.9
228.19542	0.7
229.07629	1.7
230.07841	0.6
231.08902	0.4
233.22696	0.5
238.18074	0.5
240.19621	0.6
243.21060	3.7
247.08621	1.8
248.08914	0.8
261.22131	6.2
269.10721	1.6
270.11090	1.1
277.00955	0.5
287.11957	0.7
290.22076	0.5
304.26569	1.7
305.24698	2.5
322.24518	2.3
322.27576	14.7
323.27969	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
66.19166	5.6
69.89149	4.7
69.90173	27.0
69.90587	11.2
103.87918	5.7
106.02100	5.5
140.04651	5.5
154.92404	5.5
160.77675	6.7
227.09801	5.7
323.07376	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01897	1.4
56.76982	1.5
57.03439	3.9
61.02907	4.5
63.91812	1.5
65.66214	1.5
67.89796	1.7
69.03430	14.0
69.58362	12.8
71.04955	1.6
81.03435	5.3
85.02909	23.7
97.02893	9.0
109.02884	2.7
109.85375	1.6
112.02435	1.6
119.04847	1.5
122.47810	1.5
127.03937	3.9
143.01091	4.2
146.06013	2.8
156.35236	1.7
161.00775	3.4
161.02100	50.9
163.03906	2.5
185.04216	80.8
188.00064	1.6
188.02002	1.7
201.05557	1.8
203.05284	24.4
239.04060	1.7
323.07404	100.0
324.10883	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
55.05506	5.6
57.07072	1.4
58.31189	0.7
60.04519	1.3
62.06088	100.0
65.61258	0.6
67.05504	15.6
68.34941	0.6
69.07072	4.5
75.37292	0.6
79.05489	9.4
81.07054	17.3
81.07516	0.9
83.05000	0.9
83.08627	2.9
91.05469	4.3
93.07050	10.0
95.04980	0.7
95.08605	12.5
97.10181	1.4
98.06068	0.8
98.20686	1.4
105.07040	3.4
107.08595	5.7
108.33018	0.6
109.10165	5.4
117.07020	1.3
119.08595	1.8
121.10124	5.1
123.08145	0.8
123.11738	2.9
125.09648	1.0
131.08604	2.4
133.10181	2.6
135.08060	1.0
135.11700	3.8
137.13290	1.0
145.10141	1.7
147.11740	1.4
149.13283	2.1
161.13347	0.8
162.28580	0.7
163.14851	1.4
172.13359	0.7
173.13293	1.6
177.16476	1.1
187.14815	0.7
187.68022	0.6
188.21098	0.6
200.16602	1.4
243.21172	2.2
249.41884	0.7
261.22159	4.3
282.54733	0.8
291.19504	5.6
304.26453	1.1
305.21249	2.1
305.24902	1.9
322.27374	14.0
322.30865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.6
56.05041	8.7
56.96562	15.1
57.03424	9.8
60.04529	63.7
66.86456	6.6
67.05508	8.5
69.03436	35.9
69.07064	100.0
70.06591	12.7
71.08617	30.2
71.59043	8.5
81.03422	11.9
81.56347	6.5
84.04483	23.1
84.08150	10.3
85.02908	68.5
85.96418	6.1
86.06073	11.0
91.05437	7.2
91.48112	6.2
96.04468	14.9
97.02887	76.7
97.06536	9.5
98.06035	15.7
101.38094	6.4
109.02907	15.0
114.09148	25.0
115.03844	6.3
115.07531	43.0
116.77800	6.8
116.98626	16.0
123.04436	7.7
124.63901	6.9
126.05503	7.6
127.03914	18.8
142.08652	90.6
143.07039	74.5
144.06544	28.0
146.06020	7.8
147.04411	12.8
160.07474	11.8
160.09673	64.5
162.07661	17.6
163.03952	16.6
166.08696	12.3
184.09692	46.0
185.04204	7.7
200.06993	6.6
202.10745	19.0
208.09746	7.2
221.09239	10.1
286.12711	9.1
304.13824	15.5
322.14221	16.1
323.07184	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	322.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01864	5.7
55.05499	7.6
56.96563	3.8
57.03432	8.4
65.03947	2.5
67.05505	9.0
69.03420	17.7
69.07075	9.0
70.03777	1.9
70.06583	4.1
71.01340	2.7
71.12069	5.2
79.05489	31.1
81.03426	5.4
81.07053	50.4
83.04983	5.1
85.02900	12.4
85.06531	2.4
91.05471	19.7
92.05771	2.0
93.07040	15.7
95.01348	15.0
95.04974	14.6
95.08602	5.4
96.05270	3.1
97.02923	4.1
97.06521	19.4
105.07031	7.2
107.04945	5.1
107.08588	7.2
108.08961	2.8
109.06515	27.5
109.10169	3.4
111.04422	6.6
111.08073	3.6
113.02409	2.2
116.98653	2.0
117.07014	5.9
118.03728	3.7
119.04937	8.4
119.08574	11.6
121.06489	6.1
121.10096	2.2
123.04384	2.4
123.08038	5.1
123.44016	1.7
125.06057	4.7
129.07011	4.1
129.22429	2.0
131.04976	1.8
131.08525	5.3
133.06490	4.2
135.04369	2.1
135.08031	7.1
137.05959	11.6
139.03883	10.7
139.07562	6.1
141.01863	5.6
145.02838	5.7
146.03171	4.3
146.99748	2.5
147.04448	4.2
147.08038	10.7
149.05963	6.5
151.07501	4.4
151.44124	2.0
153.01883	2.7
155.07059	7.0
161.05902	4.6
163.07581	9.2
165.09100	22.9
167.07030	4.2
175.03926	3.9
175.07556	5.4
177.05408	9.8
178.05841	10.8
179.06987	2.0
181.08601	8.4
183.10139	7.9
191.07001	6.0
193.08626	27.3
193.83092	1.7
197.04456	6.1
199.09604	13.6
207.06497	8.0
209.07991	14.3
211.09665	14.0
225.07617	2.5
227.09065	12.1
237.07654	10.8
255.08633	100.0
271.06003	17.9
273.09772	4.6
290.08441	1.9
291.10403	2.3
322.11758	3.1
323.08951	3.1
323.12555	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01858	6.4
55.05505	7.0
56.96545	2.7
57.03419	6.7
67.05483	4.3
69.03423	11.2
69.07058	7.7
70.28275	8.7
71.04977	2.7
76.99671	2.2
79.05496	30.9
81.07062	42.6
81.34824	2.7
83.04978	2.5
85.02888	7.7
89.03926	2.6
91.05476	14.4
93.03398	2.4
93.07040	9.6
95.01322	13.6
95.04959	10.4
95.08654	2.4
97.02887	3.1
97.06541	19.6
101.47894	2.2
105.07080	5.5
107.04952	4.1
109.05813	2.9
109.06521	30.4
111.04418	3.2
111.08080	3.9
113.02393	4.5
117.06975	4.0
119.04978	5.7
119.08578	11.3
121.06511	7.1
123.04341	2.5
123.08070	4.8
125.05985	4.0
129.06969	4.5
131.08569	3.3
135.08005	6.0
137.05986	11.5
139.03908	8.6
139.07556	3.8
141.01826	3.2
145.06468	4.9
146.03169	2.7
147.08040	16.5
149.05974	4.2
149.25114	2.5
155.07066	4.7
163.07532	14.8
165.09122	27.2
167.07024	4.7
175.07564	7.3
175.43399	2.3
177.05511	5.9
178.05817	5.1
181.08577	7.0
183.10088	5.6
191.07039	3.3
193.08592	27.8
197.04494	6.6
199.09665	21.0
207.06487	3.4
209.08125	8.7
211.09703	20.2
225.07480	3.1
227.09183	12.2
237.07571	8.8
255.08644	100.0
256.09067	3.3
269.10339	5.2
271.06049	6.9
273.09692	5.8
291.10272	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	321.2424
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
52.85863	0.6
55.01870	1.3
55.05307	0.6
55.05513	7.6
57.03425	2.7
57.07059	2.5
67.05511	6.0
68.40355	0.6
68.65296	0.7
69.03427	1.4
69.07067	5.7
71.04985	1.3
71.08633	1.8
79.05492	4.8
81.07056	9.7
83.04980	1.9
83.08627	3.2
85.06535	2.3
91.05485	3.9
93.07034	6.6
95.04951	1.9
95.08609	10.4
97.06521	1.2
97.10146	1.6
99.08094	1.2
105.07026	5.0
107.04949	1.8
107.08569	5.7
109.06513	16.2
109.10147	4.6
111.04432	1.1
111.08067	1.4
117.07014	1.3
119.08550	4.7
121.06541	0.8
121.10124	4.1
122.07281	2.5
123.08069	49.3
123.11638	0.8
124.08327	1.0
131.08594	1.8
133.10097	2.6
135.08040	6.3
135.11696	2.2
137.09622	3.0
139.11172	1.2
143.08597	0.6
145.10132	3.1
145.73697	0.6
147.11731	1.7
149.09607	1.6
149.13290	1.5
152.47336	0.6
159.08025	1.2
159.11780	1.7
161.13232	1.3
163.11156	1.1
165.12680	1.0
177.05455	0.8
177.12759	0.8
179.14311	56.5
180.14656	1.5
193.15909	2.1
205.15881	1.7
233.15433	1.5
247.17073	1.3
261.18378	1.0
261.22083	0.9
265.18002	13.1
279.43912	0.7
289.18033	1.7
303.23178	2.9
321.24237	100.0
322.24600	7.5
322.52032	0.7
342.55478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.2
55.05512	21.5
57.03197	2.2
57.03439	28.9
57.07059	4.9
67.05506	21.6
69.03432	3.2
69.07075	10.1
70.06239	6.5
71.04976	2.8
71.08627	2.8
75.55904	1.7
79.05492	17.5
80.78642	1.9
81.07065	26.3
83.04983	30.4
83.08617	7.5
85.06528	6.2
91.05483	19.4
93.07036	18.8
94.72247	1.5
95.04959	8.2
95.08053	1.9
95.08608	22.0
97.06516	4.7
99.04465	3.6
99.08068	2.8
105.06384	1.9
105.07028	17.5
107.04954	22.2
107.08592	11.6
109.06517	30.4
109.10143	5.6
111.04444	16.2
111.08068	2.4
113.06058	1.8
115.05453	2.4
117.07041	8.3
119.08594	11.9
121.06502	6.6
121.10126	8.2
122.07299	2.1
123.04436	2.5
123.08072	47.2
125.06019	2.6
128.06250	1.8
129.07021	4.2
131.08571	13.7
133.06485	3.7
133.10086	6.1
135.08049	10.7
135.11662	4.3
137.06035	1.9
137.09605	4.7
139.11221	1.9
141.06973	2.6
143.08556	4.1
144.50702	1.6
145.06535	4.0
145.10112	6.3
147.04346	1.5
147.08035	5.7
147.11685	3.1
149.05974	3.6
149.09616	4.7
149.13231	3.0
151.11130	2.4
155.08575	4.2
157.10083	2.4
159.08087	6.7
159.11703	5.5
161.09634	4.4
161.13271	4.5
163.07504	4.2
163.11174	5.7
165.12793	2.1
169.02702	1.9
169.10077	2.1
171.11685	2.8
173.09619	2.3
173.13258	4.2
175.11168	3.7
177.09079	2.4
177.12715	5.5
178.13536	1.9
179.14316	76.4
183.11766	2.4
185.13319	2.9
187.11118	3.1
187.14751	3.2
189.12692	2.0
193.15916	2.4
197.13268	3.7
199.11220	2.2
205.15901	4.1
215.14330	3.8
216.56142	1.8
217.12320	2.3
219.17424	3.3
233.15366	20.1
243.17522	3.4
253.15880	3.2
261.18518	8.8
265.17929	9.0
271.16858	11.1
275.20132	2.7
289.18015	25.1
303.23233	5.9
321.24237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05499	4.1
56.96547	1.5
57.03435	1.0
67.05511	5.4
69.03431	28.7
69.07067	4.2
70.85726	2.3
71.04998	1.3
78.35602	0.8
79.05502	3.2
81.03397	4.0
81.07057	8.1
82.76676	0.9
83.05003	1.7
85.06552	1.6
86.09706	92.6
87.10016	1.1
89.03914	7.0
91.05477	4.0
93.07046	7.7
95.04974	8.8
95.08601	7.1
97.02880	2.8
97.10172	2.3
98.97586	1.4
99.04446	2.6
99.08087	1.2
103.05500	5.7
105.07037	4.7
107.04952	2.6
107.08600	5.9
109.02867	2.2
109.06540	2.0
109.10146	3.6
111.04441	1.8
113.22447	0.9
116.98669	2.3
117.03381	25.8
118.03649	1.2
119.04912	1.0
119.08602	3.1
120.08108	97.6
121.06490	1.0
121.08456	1.5
121.10146	3.9
123.04421	4.1
123.08115	1.9
123.11745	1.3
125.06079	1.3
127.03904	8.7
128.10718	45.5
131.04936	3.8
131.08562	1.9
133.06509	5.1
133.10120	2.9
134.03661	2.1
135.04416	1.6
135.11690	2.7
137.06023	1.4
137.09683	1.3
143.10648	1.2
144.63855	1.0
145.02843	51.5
145.06525	1.3
145.10114	2.4
146.03253	1.8
147.04416	1.7
147.11667	3.1
149.05992	11.5
149.09593	1.9
149.13280	1.6
151.11201	2.1
156.10213	14.3
159.08139	1.2
159.11673	1.4
161.06012	3.5
163.03870	1.3
163.11209	1.2
166.08640	55.1
167.07043	8.6
167.08888	1.7
173.13214	1.1
175.03911	1.8
175.14705	1.2
177.05470	100.0
178.05811	4.3
183.11667	1.0
187.07474	1.1
193.08575	2.4
205.04950	2.2
207.06567	1.5
207.49530	1.0
222.18457	1.1
231.06450	1.9
246.06708	1.6
257.08136	1.3
261.09274	1.5
275.09268	3.5
289.08588	2.3
303.08545	1.1
303.23245	2.9
306.08835	1.3
321.09464	7.3
321.24155	1.6
322.25909	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
56.96568	1.2
61.60130	0.8
65.03938	0.8
65.09524	0.8
66.23392	0.7
67.05509	5.5
69.03433	9.4
69.07065	2.7
71.60258	0.9
79.05478	3.0
81.03415	2.2
81.07041	5.4
83.04984	1.4
84.51627	0.8
85.02886	1.4
89.03903	1.9
91.05476	3.6
93.07037	3.0
95.04952	2.9
95.08604	4.4
97.02876	1.6
97.06514	1.2
97.10178	0.8
99.97582	0.8
105.07033	4.0
107.04934	0.9
107.08595	3.1
109.02888	1.9
109.06541	1.5
109.10149	2.9
112.88235	0.7
117.03367	6.9
117.07066	1.0
119.08582	2.4
121.10124	2.1
123.08059	2.5
127.03915	3.5
131.08582	1.7
133.10126	2.1
134.53758	0.8
135.11678	1.9
137.06032	0.8
141.06950	0.9
144.08124	1.1
145.02838	18.8
145.10117	1.9
149.05951	2.7
149.09682	1.0
151.07538	3.2
151.11160	0.8
157.10191	0.8
159.07976	1.1
159.11700	1.2
177.05463	31.6
184.21815	0.8
189.12759	1.1
207.06572	1.0
207.13872	2.0
246.06827	1.0
289.08728	1.7
303.23285	1.1
321.10547	3.2
321.16714	100.0
321.26172	2.5
322.16998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.4
55.58053	0.4
57.90630	0.3
63.51250	0.3
67.05508	1.6
69.03079	0.7
69.03432	9.2
69.07073	1.9
70.02418	1.5
71.04995	1.0
78.48692	0.4
79.05492	1.4
81.03425	1.0
81.07063	3.2
83.01322	0.4
83.04980	0.8
83.08617	0.5
85.02900	0.5
85.06547	0.6
89.03904	2.3
91.05468	3.6
93.07052	2.5
95.04980	1.9
95.08610	2.9
97.02889	0.7
97.06560	0.7
97.10164	1.2
99.04443	0.5
99.08062	0.5
103.05464	1.0
105.07024	1.7
107.08578	1.9
109.02903	0.7
109.06509	0.5
109.10168	1.3
111.08079	0.5
115.05440	2.5
117.03378	6.0
117.05794	0.8
117.07004	4.4
118.06541	54.8
119.04922	0.6
119.07378	3.6
119.08587	1.2
121.10149	1.6
123.08036	0.7
123.11687	1.0
125.09695	0.4
127.03909	2.3
128.06281	0.7
130.06563	0.9
131.04955	0.4
131.08563	0.6
132.08104	0.9
133.10124	1.3
134.03645	0.6
134.09651	96.7
134.65617	0.4
135.04428	0.4
135.08020	0.5
135.10008	1.4
135.11674	1.0
139.11176	0.4
141.06929	0.4
142.06517	3.7
143.07309	5.2
144.04422	0.6
144.08083	23.9
145.02844	15.0
145.06543	0.9
145.10133	0.8
146.06007	99.1
147.04408	1.6
147.06314	1.0
147.11681	1.2
149.05951	2.3
149.09674	0.6
151.11217	0.5
155.05978	0.4
157.10094	0.5
160.07584	1.5
161.05992	0.5
161.13303	0.7
163.11256	0.5
165.12804	0.4
170.06004	7.9
174.09163	1.1
175.03944	0.4
177.05466	30.0
186.05637	0.5
188.07066	100.0
189.07376	1.5
192.10214	2.5
205.04951	0.7
217.05006	0.4
218.07266	0.6
231.06526	0.5
235.07762	0.4
246.06798	0.6
261.09100	1.1
263.07074	0.6
278.09430	0.6
285.22235	0.4
289.08563	1.4
303.23160	1.5
319.26205	0.5
321.10120	2.8
321.15894	9.0
321.24112	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.7
56.96558	8.0
65.03941	4.5
67.05513	17.1
68.58203	2.5
69.03423	11.0
69.88804	16.0
70.06601	6.9
79.05484	7.2
80.05017	2.5
81.03409	3.9
82.06629	2.8
83.04980	7.7
84.08143	3.8
85.02904	4.4
86.09731	3.1
91.05483	7.8
93.07067	5.2
94.06568	15.9
94.08546	2.8
95.04961	5.3
95.07352	3.0
97.02917	2.7
98.06070	10.6
98.97580	3.4
105.06996	2.6
107.07359	3.5
108.08108	8.1
109.02895	2.6
110.01634	2.4
110.05369	2.4
110.06042	14.6
110.09692	9.4
111.04456	3.5
113.05971	3.4
117.03399	3.3
119.04951	7.3
120.08096	9.3
122.06052	12.2
123.06826	4.4
124.07605	4.1
126.05508	3.6
127.03923	5.4
136.07564	8.7
137.08455	3.2
138.05545	18.1
138.09137	26.1
139.03912	17.7
143.08626	3.0
145.02888	9.8
145.08958	3.5
146.06163	3.9
147.04428	19.4
148.07561	8.7
156.06580	65.2
158.09636	3.4
160.07538	2.8
162.05569	3.2
163.03923	4.7
166.08656	100.0
170.08226	3.4
175.03943	4.4
177.05499	14.6
184.11279	7.1
186.09142	3.3
188.10693	9.1
194.09642	3.9
195.09236	4.9
196.09912	18.0
197.10733	6.8
202.08612	4.3
202.12425	4.4
206.08423	30.7
207.06841	2.8
210.11456	4.2
211.12340	14.5
213.10178	3.1
214.08600	4.2
215.09399	4.8
216.10204	12.2
220.09993	6.8
221.10764	12.7
223.08701	11.2
224.09435	15.2
225.10295	5.6
226.10934	2.9
227.08136	7.1
230.11751	9.8
232.09746	4.8
233.10558	4.3
234.11301	11.1
234.99036	3.8
237.02914	3.5
237.10281	7.6
238.10950	10.3
239.08084	3.9
239.11827	31.6
240.10207	4.4
241.09709	4.2
243.11349	4.2
257.12781	5.7
258.11212	17.8
262.10779	20.8
267.11331	65.5
272.11639	6.2
275.13953	5.6
276.12338	38.2
285.12354	72.9
303.04953	2.8
303.13321	30.3
304.11743	25.4
321.09976	9.3
321.14459	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1333
Annotation	oleuropein (dialdehyde form)
Peak:m/z	Relative Intensity
53.03945	0.9
55.01880	3.6
55.05503	1.9
57.03435	0.9
62.70374	0.5
65.03922	0.9
67.05513	4.0
68.99782	2.1
69.03433	15.1
69.07074	3.3
69.28362	6.7
69.53525	0.6
71.04989	1.0
78.04710	0.7
79.05064	0.8
79.05495	12.1
81.03410	2.5
81.07056	7.9
83.04971	2.3
83.08633	0.8
85.02899	0.8
85.06532	1.9
86.49174	0.5
89.03912	4.1
91.05497	4.4
93.03393	0.7
93.07048	6.3
95.04974	8.8
95.08601	4.7
97.02880	2.1
97.06509	3.0
97.10176	1.7
97.70637	0.6
98.20725	1.2
98.97604	0.7
99.04455	5.3
103.05448	4.6
105.07035	33.8
106.04176	0.6
106.07385	0.7
107.04959	18.8
107.08628	4.1
109.02876	2.2
109.06512	2.4
109.10154	3.9
111.04439	3.7
111.08067	1.2
115.05460	6.6
117.03384	11.2
117.07042	0.6
118.04162	2.3
119.04916	0.9
119.08557	2.8
121.06493	6.4
121.10152	2.7
123.04433	59.7
123.11710	2.2
124.05177	2.2
125.05990	3.2
125.09615	1.3
127.03925	10.1
129.06985	0.7
131.04929	3.2
131.08572	1.9
133.02846	0.6
133.06493	31.9
133.10152	2.0
135.04442	1.5
135.08063	1.4
135.11716	1.5
137.05981	1.1
139.07539	4.4
139.11195	0.8
143.06029	1.7
144.05705	1.6
145.02849	28.3
145.10135	1.3
146.03201	0.8
147.04388	1.9
147.11699	1.4
149.04776	0.9
149.05974	15.9
151.07518	0.8
152.04689	1.2
153.12726	0.6
155.10660	0.7
157.06439	0.6
157.10088	0.6
159.08061	1.1
159.11702	1.0
161.05983	46.4
163.03873	0.8
167.07047	100.0
168.07382	2.2
169.06433	1.0
173.06010	0.8
173.13324	0.8
176.04643	0.9
177.05475	53.8
177.16399	0.6
178.05911	1.9
186.05542	0.7
187.07559	2.1
191.07014	3.3
193.08601	19.1
194.09192	0.7
197.08134	0.8
205.62250	0.6
207.06468	0.8
217.08594	0.7
219.10214	2.5
246.06770	1.4
261.02798	0.8
261.09161	2.1
275.09305	1.6
278.09351	0.6
285.22208	0.6
289.08517	2.2
290.09204	0.7
293.11310	0.7
303.12173	2.8
303.23169	1.6
321.09756	4.0
321.13782	6.1
321.24365	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01864	1.2
55.05509	2.2
56.96559	0.7
65.03938	0.7
67.05503	2.7
68.99806	0.5
69.03429	7.4
69.07056	2.0
71.05007	0.8
71.60065	0.7
73.02902	0.7
79.05499	3.5
80.96674	0.5
81.03423	1.4
81.07052	5.6
83.04965	1.0
83.08637	0.5
85.02885	0.6
87.08437	0.5
89.03900	1.4
91.05486	3.8
93.07038	4.5
95.01323	0.6
95.04994	2.4
95.08611	3.3
97.02869	1.3
97.06547	0.9
97.10144	0.8
99.04445	0.9
103.05499	0.8
105.07027	7.2
105.10351	0.5
107.08610	2.6
107.98651	0.6
109.02866	1.6
109.06526	1.2
109.10150	1.7
111.08070	0.8
115.05447	1.4
116.06196	1.0
116.96929	0.6
117.03394	5.6
117.07030	2.8
119.04908	0.9
119.08559	3.4
121.02926	0.5
121.06477	1.0
121.10132	2.2
123.04403	1.0
123.08124	1.1
123.11735	0.8
125.09621	0.6
127.03906	3.1
128.06215	6.8
129.07013	8.4
130.07741	1.5
131.04941	0.6
131.08551	6.4
133.06552	0.5
133.10100	1.2
135.04352	1.0
135.11674	1.4
141.06969	4.2
142.07794	5.3
143.08559	26.0
144.05687	0.8
144.09320	0.9
145.02843	12.8
145.06445	1.5
145.10117	12.8
145.11259	0.7
147.04419	1.3
147.08003	0.8
147.11690	1.5
148.07579	0.6
149.05949	1.6
149.09590	0.9
153.07016	0.6
154.06294	0.7
155.08546	1.7
156.09343	16.0
157.06430	0.6
157.10130	8.4
159.08046	1.0
159.11649	1.2
161.06035	0.6
161.09625	0.6
161.13260	0.9
166.07767	0.6
167.08621	0.5
169.06462	1.2
169.10114	1.2
171.11691	69.8
172.12039	1.8
173.13315	4.0
175.03906	1.4
175.07573	1.4
177.05475	25.8
179.88104	0.5
181.10101	2.0
183.08044	0.9
186.05426	0.6
187.07603	1.5
189.12703	1.2
197.06046	0.6
199.11197	7.9
207.06586	1.0
217.12242	100.0
218.12567	1.8
219.10196	1.1
222.18565	0.9
223.18901	1.6
229.08647	0.7
243.06522	1.0
246.06766	1.0
269.12424	0.9
275.09064	3.5
277.84958	0.5
289.08755	0.8
303.23169	1.0
315.02383	0.5
321.10706	3.6
321.25912	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05707	0.7
55.05507	4.3
55.57529	0.7
56.65953	0.7
57.03449	0.8
57.07077	1.9
58.53984	0.7
58.76811	0.7
60.04512	1.3
62.06087	100.0
67.05498	11.3
69.07072	3.7
70.02962	1.0
70.06567	0.7
75.42469	0.7
79.05488	13.7
81.07052	13.8
83.08617	2.5
85.06538	1.2
91.05477	12.1
93.07043	20.6
94.07339	0.7
95.04971	1.4
95.08599	9.8
97.06544	1.1
97.10160	0.7
98.06026	0.8
98.20749	2.2
99.04446	0.8
102.22568	0.7
105.07029	15.0
107.08601	11.4
109.10147	3.9
109.11875	0.8
116.07045	0.7
117.07031	2.1
119.08580	15.9
121.10136	9.4
123.08045	0.8
123.11732	1.3
128.07082	1.0
129.07007	1.4
130.08658	1.8
131.08553	4.3
133.10124	9.7
135.08037	1.2
135.11687	9.3
143.08556	2.3
144.10196	2.3
145.10126	2.8
147.11655	9.0
149.13271	7.5
151.11145	0.7
151.90584	0.7
157.10121	2.1
158.11729	1.8
159.11755	4.0
161.13257	8.0
163.11131	1.1
163.14806	4.0
165.12825	1.3
171.11714	2.6
172.13344	0.8
173.13318	2.5
175.11235	1.4
175.14819	9.7
185.13260	2.5
186.14890	1.4
189.12813	0.9
198.14857	0.8
199.14827	1.4
211.59946	0.8
212.16504	0.9
215.18008	1.2
217.16130	0.7
217.19475	4.1
220.13361	0.8
224.16565	0.9
229.07323	0.9
231.21126	1.1
238.18045	1.0
240.19742	1.1
241.19496	8.6
247.08629	0.8
254.21051	0.7
258.26883	1.6
259.20602	13.6
269.10532	0.9
277.21597	1.0
302.24753	3.1
303.23224	1.4
320.25833	38.3
320.30444	3.7
321.26193	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93771	1.1
55.01870	2.6
55.05494	1.8
56.05027	4.4
56.96560	4.4
57.03426	1.8
58.06601	1.4
60.04520	3.2
61.02926	2.7
67.05501	1.8
68.05032	1.3
69.03415	4.0
69.07064	3.7
70.06593	11.0
71.28467	2.8
72.08159	3.2
73.02919	1.5
74.06099	1.9
79.05505	2.0
81.03423	4.3
81.07083	1.2
82.06581	1.3
83.04972	1.7
83.06130	1.5
84.04502	8.0
84.08153	3.7
84.96014	1.8
85.02911	10.5
86.09704	10.3
87.63672	1.1
91.05466	1.8
93.07053	1.2
94.06570	9.2
95.04957	2.2
95.07366	2.2
96.04479	9.8
96.08130	4.4
97.02904	6.0
98.06055	11.4
98.97588	4.9
102.05544	4.6
103.03886	1.2
107.04941	2.0
109.02897	5.6
110.06069	1.4
110.09659	1.3
112.07607	4.5
113.06046	1.9
114.05532	22.2
116.98643	5.2
120.08019	1.4
122.06032	3.8
124.07666	1.6
127.03930	3.3
134.99673	4.0
136.07524	1.6
138.05481	1.6
138.09149	9.2
139.03885	1.6
140.05965	2.8
140.07072	54.5
140.10660	1.2
141.04132	1.2
141.05469	4.2
141.07344	2.1
142.08650	1.5
144.06464	1.4
145.04950	1.5
146.99709	2.5
147.04390	2.8
158.08128	100.0
159.08603	1.4
163.03934	1.5
168.10207	4.2
173.12872	9.9
174.05760	2.0
175.08661	1.6
177.00731	1.6
177.05467	1.4
181.50046	1.2
186.07654	4.5
189.00729	1.2
201.12383	2.0
214.10628	1.5
218.04688	2.0
219.01768	2.3
221.09007	1.3
234.99115	1.8
237.02896	3.7
240.12230	6.1
258.13382	12.8
276.14536	2.3
279.04318	0.9
279.07590	4.3
299.52393	1.1
302.12433	4.5
303.10031	2.2
320.13803	8.4
321.08676	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05503	0.7
56.96562	1.1
65.03941	4.0
67.05495	2.2
69.03412	1.9
69.07055	1.7
70.06587	0.7
71.60531	0.7
79.05488	1.8
80.05007	2.0
81.03398	1.1
81.07047	2.4
81.20371	0.5
83.04971	0.7
85.02903	1.4
88.37333	0.5
91.05511	2.9
92.05011	5.9
93.07036	1.9
94.06588	0.7
95.04968	1.7
95.08612	1.3
96.08122	1.2
97.06516	1.2
100.87836	0.6
105.07021	2.6
106.06531	0.8
107.04986	0.7
107.08588	0.5
108.04479	2.5
109.06509	1.0
109.10155	1.6
110.06047	2.0
110.09701	1.8
111.04354	0.7
115.05446	0.7
117.07019	1.2
118.06572	0.6
119.08614	1.7
120.04463	2.3
120.08106	0.6
121.06567	0.7
121.10109	1.0
123.04463	0.8
123.08099	0.8
124.07606	2.9
125.08321	0.6
127.03952	0.8
129.06963	1.0
130.06509	1.1
131.08627	1.0
132.04428	0.9
132.08075	0.8
133.10144	0.9
134.58119	0.5
136.00781	0.5
136.03969	7.4
136.07635	0.6
137.05948	0.9
137.09535	0.8
138.05508	1.1
138.09146	23.4
141.07042	0.8
142.06572	0.6
143.05693	0.6
143.08604	0.5
144.08107	0.7
145.10133	1.0
146.05942	0.5
147.04343	0.6
149.05975	0.8
149.09552	0.6
150.05478	0.5
150.09076	0.6
151.03897	1.2
151.07454	0.6
153.01836	0.6
153.05431	0.9
154.04988	3.1
154.06194	0.9
155.08569	2.0
156.08133	1.3
157.10057	0.8
158.09615	0.6
159.08080	0.7
159.09198	1.0
159.11678	1.3
160.09506	1.1
163.03860	0.6
164.03418	5.6
167.07237	1.6
168.08076	0.7
169.08867	1.3
170.09644	0.7
171.09109	0.8
171.10410	0.7
172.09949	1.2
172.11304	0.8
174.12762	1.7
175.03810	0.8
176.03458	2.4
177.05452	0.9
182.04506	17.5
182.05933	0.9
182.09700	1.6
184.11246	2.1
185.07097	0.7
186.09181	0.8
186.12794	0.6
187.08704	0.7
196.09917	1.1
197.08430	0.7
198.07768	1.0
199.08630	1.9
200.09421	1.6
201.13911	8.8
202.12332	0.9
203.11774	0.8
207.06529	0.8
209.07175	0.8
209.10806	0.8
210.09186	1.8
211.08606	1.1
211.12294	0.9
212.09268	1.8
212.10741	3.2
214.12268	2.2
226.07372	0.7
227.08160	1.3
227.11798	3.5
228.08771	2.8
229.09666	1.6
229.13361	36.9
230.11882	1.0
230.13795	1.3
237.10303	0.6
238.08673	1.9
239.11807	2.5
240.08725	1.1
241.09859	0.9
245.09044	1.0
255.07639	1.0
255.11314	9.1
256.09647	0.9
257.12869	30.0
258.11026	1.5
258.13467	0.8
259.10873	2.6
261.70139	0.6
268.08295	0.7
272.05045	0.7
272.07858	2.5
273.12372	10.4
283.10794	11.2
284.09155	14.4
291.13458	2.4
301.11832	32.5
302.12228	1.4
319.12903	100.0
320.13254	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	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28588	0.8
54.51090	0.7
55.05510	0.8
56.96569	0.8
57.03430	1.2
65.03943	4.0
66.48530	0.7
67.05495	2.0
69.03432	1.3
69.07066	2.2
69.63354	5.3
70.06577	0.7
79.05495	1.6
80.05003	1.3
81.03403	1.0
81.07044	2.5
83.04974	1.6
85.02894	1.0
86.09690	0.7
91.05496	2.4
92.05028	4.2
93.07034	2.4
95.04957	2.1
95.08623	1.4
97.02876	0.8
97.06532	1.5
99.04445	0.7
105.07040	1.5
106.06499	0.9
107.08591	2.1
108.04498	1.7
108.08190	0.9
109.06490	0.8
109.10168	1.0
110.06042	2.2
110.09646	1.1
117.06989	0.9
119.08571	0.9
119.41150	0.7
120.04438	1.9
121.06542	0.7
121.10108	1.4
124.07581	2.8
125.08392	1.3
125.09651	0.8
127.03882	1.7
128.06168	0.7
129.06960	1.0
131.08539	1.1
132.08128	1.5
136.03940	8.3
137.05986	1.0
138.05444	0.8
138.09138	23.7
144.08107	1.6
145.07533	0.7
145.10120	1.1
146.06087	1.0
147.11639	0.7
150.05519	1.0
151.03885	1.6
154.05005	4.0
155.08568	2.7
157.07587	0.8
158.09677	1.4
159.09251	0.9
159.11691	1.0
160.09486	1.1
164.03427	5.3
167.07210	1.7
168.08029	0.9
169.08881	1.6
170.09633	0.8
174.09125	1.1
174.12839	1.0
176.03427	3.1
177.05527	0.9
182.04486	16.1
182.05927	1.2
182.09703	1.5
183.09172	1.0
184.09880	1.4
184.11284	1.7
185.07028	1.1
187.20662	0.7
196.09976	1.1
197.08493	1.0
199.08673	2.3
200.09439	1.3
201.10228	1.1
201.13899	8.5
202.12349	0.8
210.09166	1.9
211.08676	1.7
211.12343	1.2
212.07533	0.7
212.09161	1.2
212.10754	2.7
214.12360	1.8
217.04852	0.8
227.08060	1.9
227.11797	4.2
228.08797	3.4
229.09729	1.5
229.13362	46.9
230.13751	1.1
237.10307	0.8
238.08614	2.7
238.85172	0.8
239.11732	1.3
240.08664	0.9
240.10362	1.2
241.09753	1.0
242.10664	0.9
245.09198	1.4
255.07593	1.0
255.11287	9.2
256.09616	1.2
257.12848	31.0
258.11313	1.6
259.10904	1.6
272.07959	2.1
273.12326	10.2
283.10788	10.6
284.09100	13.8
284.11841	1.1
290.09097	1.2
291.13422	2.3
301.11838	34.2
302.12360	0.9
319.12897	100.0
320.13300	3.9
320.16467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38338	0.7
53.03925	1.0
56.05045	0.9
56.96563	2.2
57.03424	1.5
61.02919	1.1
65.21497	0.6
65.99944	0.8
67.05495	0.8
69.03423	2.5
69.52177	4.7
70.06591	0.7
72.08153	1.7
74.06110	0.7
81.03419	1.2
82.26453	0.6
83.04975	2.0
84.08150	5.7
85.02901	4.8
90.94836	1.0
95.04958	0.7
97.02887	2.0
98.97608	1.1
102.89834	0.7
109.02893	1.3
110.07193	0.8
111.04436	0.8
116.98650	1.2
119.01929	1.4
125.02318	0.8
126.56087	0.6
127.03907	1.3
128.98636	0.9
129.27454	0.7
130.06517	0.8
130.08627	1.1
132.95906	1.8
134.99564	0.9
138.05547	1.1
139.03831	1.4
139.05852	1.6
143.05658	1.2
150.96880	0.9
157.04732	15.8
157.07649	3.6
161.02997	1.2
174.96930	3.4
185.04253	3.7
189.06038	0.8
203.05324	6.0
221.05185	2.0
232.82729	0.8
234.99052	2.6
237.02954	1.4
253.00038	1.1
257.09985	1.0
273.09491	29.9
319.10059	100.0
319.13641	13.9
320.10406	1.0
334.43402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0813
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
53.03931	2.1
55.05508	7.4
57.03411	1.6
65.03928	2.0
67.01838	1.6
67.05502	12.5
68.99792	6.0
69.03426	8.3
69.07069	16.3
70.20990	7.4
71.04986	2.2
73.02911	1.6
79.05496	7.2
79.35217	1.7
81.03417	10.1
81.07059	17.5
83.04981	5.0
83.08635	2.6
85.02899	5.0
85.06551	3.8
91.05479	8.4
93.07030	11.5
95.04968	12.3
95.08611	13.5
97.02879	3.5
97.06528	6.7
97.10172	2.3
99.04447	2.8
105.03375	2.4
105.07021	10.8
107.04952	4.7
107.08579	11.3
109.02880	9.9
109.06514	5.4
109.10139	7.4
111.04424	4.0
111.08066	2.2
116.98609	2.2
117.07034	5.1
119.08578	6.8
121.02890	2.3
121.06534	3.3
121.10156	7.7
123.04428	36.1
123.08051	3.0
123.11742	2.8
125.02345	8.6
125.05997	4.5
127.03916	35.9
128.06137	2.2
129.07045	1.9
131.08575	6.0
132.01157	2.0
133.01826	2.7
133.02850	53.2
133.06491	1.9
133.10155	9.0
135.04373	2.8
135.07996	3.4
135.11729	2.8
137.02362	3.0
137.05972	18.9
137.09625	2.4
138.03125	4.1
139.03903	3.7
139.11197	2.7
140.04672	6.0
141.01837	1.7
141.05484	1.8
143.03404	1.8
143.05705	8.0
143.08559	2.0
145.10104	4.3
147.04407	2.7
147.11732	5.4
149.02338	10.5
149.06010	3.6
149.09668	2.3
149.13307	2.6
150.03172	1.9
151.03902	89.8
152.04338	2.1
152.07042	4.0
153.01830	26.0
153.05463	61.1
154.02155	3.1
155.02267	2.7
155.03435	4.0
155.08568	1.9
157.06500	2.0
157.10138	3.3
159.04582	1.7
159.11681	4.1
161.05930	3.6
161.13304	1.8
163.03899	7.1
164.01028	1.4
165.05486	27.7
166.06287	2.3
167.07071	2.7
169.01147	1.5
169.04965	4.0
171.04451	2.4
171.07991	2.0
171.11787	1.9
173.13261	4.0
175.11249	1.6
175.14670	1.7
176.31621	1.3
177.05391	3.3
179.03394	62.3
182.04475	1.5
183.06453	1.7
184.05219	2.4
185.05875	2.7
187.14867	2.0
187.93213	1.5
188.04713	4.1
189.05522	4.4
193.04950	11.7
199.03918	3.0
201.05499	2.5
202.06224	1.9
202.09016	5.4
202.12244	1.5
203.09320	4.5
212.04797	2.2
213.05489	6.6
215.06967	1.9
216.04172	3.3
217.04916	10.1
229.05028	5.1
230.05496	2.2
231.05809	3.1
241.04961	8.9
245.04425	2.5
245.08078	14.0
255.02928	2.5
257.04715	2.5
258.05170	6.3
259.05682	3.6
268.03766	1.5
269.04541	7.7
273.07532	9.8
276.08054	1.9
283.10791	1.8
285.00766	1.4
285.03967	6.4
286.04706	28.2
287.05191	5.0
291.08554	13.0
301.07074	97.6
301.11124	5.2
301.21503	6.9
302.07410	4.2
304.04825	6.3
319.07974	100.0
319.12155	6.1
319.19122	2.1
319.22537	9.0
320.08502	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	319.0813
Annotation	Lecanoric acid
Peak:m/z	Relative Intensity
50.37270	0.7
50.53186	0.6
53.03947	0.8
55.05500	0.9
57.13316	0.6
65.03939	1.1
67.05510	3.5
68.99776	3.3
69.07052	0.8
71.04958	0.6
71.27290	0.6
71.61355	0.7
77.03917	0.7
79.05486	1.7
81.03423	5.6
81.07044	0.8
83.04998	3.4
91.05479	2.2
93.07035	2.2
95.04960	6.0
95.08594	1.0
105.03407	3.0
105.07041	0.9
107.04980	2.2
107.08580	1.0
109.02878	15.7
109.10162	0.7
110.03691	0.9
111.00810	1.5
111.04423	1.2
119.04976	1.0
119.08522	0.8
121.10104	0.9
123.04430	51.7
124.04744	0.7
125.06004	1.0
126.03118	2.6
127.03925	18.4
129.06985	0.9
130.36951	0.6
133.02847	6.5
135.04414	2.3
137.05966	2.6
138.03157	6.5
139.03880	0.9
141.05469	3.7
147.04385	2.8
149.02383	2.9
149.06010	1.1
150.03127	2.5
151.03903	100.0
152.04289	1.9
153.01854	18.1
153.05467	57.4
154.02225	0.7
154.05806	0.8
155.03445	1.0
157.06462	1.0
159.08037	0.8
161.02304	1.4
161.06047	0.9
163.03906	0.9
165.05467	6.5
166.06187	0.8
167.03407	1.5
169.04965	16.1
171.04381	1.0
175.03831	0.6
176.14404	1.7
179.03397	46.6
180.03810	0.9
185.05940	1.5
189.05475	2.7
193.05013	2.7
202.06175	0.8
203.07051	1.4
212.04691	1.0
213.05508	4.1
217.04895	1.3
227.07118	1.0
231.06566	1.7
241.04909	4.3
245.08064	2.3
258.05237	1.4
269.04428	3.7
273.07516	3.0
285.03937	15.3
286.04694	12.2
291.08609	9.5
301.07074	33.0
301.10739	1.0
302.07352	1.8
319.08112	88.8
319.20004	1.6
320.08405	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	319.0812
Annotation	Taxifolin 4'-methyl ether
Peak:m/z	Relative Intensity
53.03936	0.7
53.28232	0.6
55.05500	1.4
56.24004	0.5
65.03942	1.1
67.01853	1.1
67.05505	3.9
68.99789	4.1
69.03413	1.1
69.07054	1.6
69.71961	3.5
77.03967	1.1
79.05494	2.4
81.03417	5.9
81.07063	2.7
83.04974	3.8
83.08643	0.6
85.02905	1.0
91.05473	2.6
93.07044	2.3
95.04969	8.8
95.08611	2.9
97.02902	0.6
97.06528	1.0
98.20818	0.8
105.03410	2.7
105.07052	1.7
107.04968	2.9
107.08588	2.2
109.02117	0.9
109.02868	16.1
109.03587	1.1
109.06485	0.9
109.10139	1.7
111.00787	1.2
111.04482	0.9
119.04968	0.8
119.08582	1.2
120.05749	0.6
121.06516	1.9
121.10098	1.0
123.04425	54.8
123.11743	0.6
124.04750	1.0
125.06018	1.4
126.03120	3.0
127.03908	17.3
131.08533	0.9
133.02852	7.3
133.06511	0.8
133.10124	1.2
135.04422	2.5
135.11665	1.0
137.02379	0.6
137.05940	2.6
137.09566	0.6
138.03117	7.2
139.03839	1.6
141.05472	3.9
142.38431	0.6
144.85135	0.5
145.06467	1.0
147.04417	2.7
147.11690	0.7
149.02328	1.8
149.05963	1.6
149.09616	0.8
150.03098	2.6
151.03900	100.0
152.04248	1.3
153.00557	0.9
153.01839	18.7
153.05460	61.6
154.02261	0.6
154.05740	0.6
155.03391	1.3
157.06477	1.4
159.04323	0.6
159.11676	0.7
161.02411	1.0
161.06023	1.3
163.03885	1.2
165.05475	7.0
166.06273	0.9
167.03447	1.1
167.07043	1.7
169.04971	15.4
171.04326	1.0
171.11755	0.7
173.13342	0.6
177.05487	0.6
178.24712	0.6
179.03391	50.4
180.03786	0.9
183.06526	1.4
184.05191	0.9
185.05919	1.5
189.05518	2.5
191.06929	0.8
193.04955	3.4
199.07549	0.6
201.05418	1.3
202.06276	0.7
203.06998	1.1
203.08937	0.7
205.08546	0.8
207.06567	1.1
212.04704	0.9
213.05515	5.0
217.04924	0.9
227.07129	1.2
229.05051	1.1
230.05563	0.6
231.06549	2.4
240.04160	0.7
241.04932	3.6
245.04527	0.6
245.08154	2.4
249.07478	0.6
258.05255	1.1
259.06100	1.2
269.04440	3.3
273.07529	2.3
285.03918	14.7
286.04700	15.4
287.05319	0.6
291.08609	11.6
301.07068	34.4
301.21719	0.9
302.07153	1.3
318.65543	2.2
319.08112	83.7
319.22736	1.5
320.08371	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	35.2
59.54069	4.5
60.81667	3.9
65.69711	4.9
69.50779	33.8
73.83639	4.8
81.10491	5.1
98.97584	62.1
105.55252	4.4
116.98627	91.9
119.01902	6.4
134.99664	100.0
137.02982	7.1
153.00726	21.3
158.01234	5.4
172.94438	4.6
174.97597	6.1
177.00940	17.7
179.00725	12.5
192.98778	10.0
205.02486	5.5
216.02226	4.2
216.98660	25.5
219.02019	47.4
220.02121	7.2
221.01826	7.3
230.93446	12.9
232.49118	4.9
232.96703	8.1
234.02873	5.1
234.99780	68.4
248.94415	12.8
258.99908	24.8
259.02347	6.5
260.00140	9.1
261.02927	21.5
262.02936	6.6
263.02823	7.7
264.02325	5.5
272.94388	45.5
274.97711	11.5
275.97897	5.0
276.97882	10.0
277.00879	52.4
277.04071	13.9
278.00986	10.5
288.92200	6.7
290.95374	42.9
292.98615	8.5
295.05405	7.1
301.00961	9.4
303.00827	6.9
313.96930	7.5
314.95499	18.1
316.98810	12.8
318.98730	9.5
319.06873	8.5
337.01834	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	319.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	8.2
59.06966	4.9
61.02902	16.9
69.63341	28.7
69.63757	13.0
70.53042	5.7
73.02914	6.9
78.12115	5.0
81.03419	12.6
84.08132	18.7
85.02898	13.2
91.89717	5.2
94.75076	4.7
98.97578	15.4
105.04166	5.6
109.02860	7.2
110.07185	8.9
128.02318	8.9
129.10202	8.1
134.99597	5.9
137.06071	5.1
139.06161	46.8
157.04659	12.3
157.07217	45.9
165.00673	5.2
213.03398	14.8
220.04024	5.4
222.03981	10.2
265.17636	5.6
269.05411	7.3
273.09366	21.5
293.49896	5.1
319.10226	100.0
319.13248	21.3
337.94016	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	318.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
55.05513	5.9
57.03442	1.9
57.07086	1.0
60.04527	3.1
62.06089	100.0
67.05508	11.0
69.07069	3.9
70.02947	1.9
70.06621	0.9
70.30990	2.0
71.19212	0.7
79.05498	11.0
81.07058	12.9
82.66628	0.7
83.08627	3.0
83.22303	0.7
84.08191	0.8
85.05299	0.8
85.06551	1.3
88.03986	1.2
91.05486	18.9
93.07037	12.3
95.04989	2.2
95.08604	7.8
97.06540	1.3
98.06039	3.7
98.97580	1.0
99.04458	0.7
105.07035	21.2
105.28696	0.8
107.08589	7.8
109.06563	0.9
109.10169	3.1
112.07567	1.0
115.05473	1.0
117.07018	17.1
119.08577	17.3
121.10168	4.1
123.04427	2.2
123.11809	0.8
124.04774	1.1
126.09169	0.8
128.06250	1.3
128.07115	1.1
129.07013	6.8
130.07774	1.5
130.08647	5.4
130.75926	0.8
131.08571	27.4
133.10136	12.9
135.08073	1.7
135.11720	2.7
137.06032	0.9
137.09540	0.7
141.07010	3.3
142.07703	1.1
143.08563	4.6
144.10246	3.1
145.06468	1.1
145.10129	24.9
147.11697	10.6
149.09659	1.5
149.13264	1.7
153.05531	0.8
155.08554	3.6
157.10150	6.7
158.10812	0.9
159.11691	20.7
161.09669	1.2
161.13254	7.0
163.11171	1.5
168.09320	1.4
169.10127	5.0
171.11652	6.0
173.09660	1.6
173.13263	23.2
173.29248	0.8
175.11189	2.3
175.14859	2.0
177.12680	1.7
183.11729	4.9
185.13303	2.5
187.11183	2.7
187.14804	2.6
189.12743	1.5
191.14247	1.1
196.06944	0.9
197.13274	5.1
201.12775	2.5
201.16461	0.8
207.04784	0.8
210.14934	1.3
213.16362	3.7
215.14462	1.4
215.17943	20.5
224.16440	2.6
229.19504	4.7
236.16615	1.1
238.17976	3.5
239.17940	11.7
252.19502	1.1
257.19006	30.8
258.19241	0.9
262.21838	1.2
300.23236	4.8
301.21576	2.6
318.07101	1.6
318.10495	1.3
318.24283	58.0
319.04456	1.6
319.15234	0.8
319.24860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
55.05499	0.9
56.05030	0.7
57.03431	1.4
60.04519	0.6
61.02911	1.3
62.63761	0.4
67.05490	0.7
68.99783	0.5
69.03426	5.0
69.07051	2.1
70.03714	0.5
70.06597	2.4
71.04986	0.6
71.59653	0.5
72.08164	0.5
73.02891	1.2
74.02445	0.4
79.05491	1.2
80.05038	0.6
81.03416	1.9
81.07027	1.2
82.06561	0.7
83.04968	1.0
83.08639	0.5
84.08134	1.4
85.02435	0.5
85.02908	8.2
86.09699	4.0
87.04468	1.0
91.03944	0.8
91.05461	1.5
93.07027	1.8
93.37640	0.4
95.04971	1.1
95.08600	2.1
96.04515	3.1
96.08141	2.6
97.02888	3.2
97.05286	2.1
97.06518	1.5
98.97589	0.5
99.04453	1.1
100.07603	1.3
105.07043	1.5
108.08119	0.8
109.02884	0.7
109.06483	1.1
110.06056	6.2
110.09672	4.2
110.20715	0.4
111.08079	0.9
115.05465	0.4
116.07065	0.7
116.98652	0.7
119.04958	0.4
119.08583	1.1
120.08105	1.8
121.06490	2.1
123.04443	0.5
126.00823	0.4
126.09157	9.5
127.03925	2.0
129.07002	0.6
130.08646	0.7
133.10144	0.6
135.44475	0.4
137.02353	0.5
137.05928	0.9
138.09137	23.8
139.03899	0.7
139.07542	1.9
143.08609	0.5
145.04964	1.0
147.08057	2.7
151.03912	0.5
153.01785	0.8
156.10199	100.0
157.10513	2.0
161.09624	1.2
165.06943	0.6
166.05975	0.5
168.10156	1.3
171.08101	0.6
173.12831	2.7
180.10110	0.9
183.08055	0.8
189.09105	2.0
198.11203	0.6
201.12340	0.5
210.08316	0.5
210.14937	0.5
215.11861	0.5
221.09235	0.4
226.11147	0.4
227.11702	0.4
228.15898	0.8
229.05162	0.4
233.64473	0.5
237.05457	0.6
237.09192	0.7
255.06433	2.2
270.09930	0.7
272.09137	0.6
274.16461	0.6
276.09924	0.5
288.10818	0.5
301.11862	3.1
318.03656	0.6
318.06836	1.7
318.09805	0.6
318.15668	1.5
318.21616	0.5
318.30002	0.7
319.04514	1.9
319.12744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.6
55.05498	0.5
56.96579	0.6
62.06083	0.7
65.03947	1.0
67.05505	1.1
68.99783	0.8
69.03425	0.6
69.07046	0.7
71.06269	1.3
74.91601	0.4
77.03926	1.4
79.05497	2.2
81.03397	0.5
81.07047	1.2
85.02895	1.9
88.21915	0.5
91.05473	4.7
92.06263	1.2
93.03407	0.9
93.07057	0.9
94.04172	0.5
94.37238	0.5
94.81548	0.5
95.04990	1.5
95.08588	0.6
97.02895	0.6
97.06531	1.8
105.03385	6.6
105.07025	0.6
106.04185	0.9
107.04967	1.0
107.08620	0.6
108.08953	0.6
109.02871	1.0
110.03712	1.2
111.04465	0.9
118.04144	0.8
119.04961	2.6
119.08574	0.7
120.05724	4.1
121.02890	0.8
121.06548	1.0
122.03643	5.4
123.04437	1.9
125.05994	5.1
131.04965	1.1
133.02855	42.4
133.11757	0.5
134.03575	0.5
137.05983	9.9
137.07048	0.6
138.03120	6.8
139.03932	5.2
147.04410	6.6
148.05174	2.8
149.02344	8.0
149.05984	1.8
151.03938	4.8
152.04617	0.9
153.05464	100.0
154.06226	22.7
163.03867	1.4
164.04691	17.7
165.05475	21.3
165.06877	1.1
166.06258	39.1
167.06544	0.6
173.29605	0.5
177.05486	3.3
178.06233	6.5
179.07030	2.3
192.13895	0.6
212.07820	0.5
226.05844	0.6
246.18840	0.5
252.06595	0.6
254.05251	1.1
285.07706	0.7
286.07938	1.6
290.07465	2.3
300.09500	0.7
301.10632	0.7
303.08551	1.4
318.07117	1.7
318.10925	36.0
318.24359	4.7
318.29697	0.7
319.11414	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2113
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01861	3.9
55.05516	16.2
56.96560	3.3
57.03419	2.5
57.07069	9.2
57.51964	1.7
59.04994	4.4
62.12374	2.0
63.95731	1.9
65.03923	3.2
67.05506	53.7
69.03423	7.7
69.07056	8.7
70.06567	6.7
71.04987	3.7
71.60971	2.2
79.05494	17.3
81.03404	2.6
81.07057	38.7
83.04971	6.8
83.08601	4.6
85.06536	3.1
87.04467	10.8
88.04791	2.2
88.07616	7.8
91.05484	21.5
93.07041	25.0
95.04970	36.6
95.08604	26.0
97.06529	9.4
102.09171	4.3
105.07040	24.9
107.04972	4.7
107.08592	40.3
109.06531	22.9
109.10160	100.0
110.10487	3.1
111.04413	2.4
111.93229	1.8
117.06979	6.3
119.08582	66.8
120.08862	2.2
121.06497	6.0
121.10159	11.5
123.04441	2.8
123.08078	31.0
125.06015	2.4
125.09565	2.3
126.22821	2.0
128.06198	2.6
129.06992	5.1
131.08560	10.0
133.06480	6.2
133.10149	15.6
135.08060	14.9
135.11690	4.7
137.05962	3.1
137.09627	74.4
138.09952	2.6
139.07506	2.6
143.08571	4.7
145.10115	10.7
147.08043	5.9
147.11694	8.5
149.09601	9.2
151.07553	69.5
153.05458	8.1
155.08527	2.5
156.09288	3.6
157.10106	7.2
159.08057	6.1
159.11667	10.3
161.09590	12.3
161.13258	3.5
163.07529	3.2
163.11183	10.1
165.09126	8.9
167.06981	3.4
169.10088	3.7
171.11652	5.8
173.09624	2.2
173.13251	5.8
173.26549	2.1
175.11176	3.1
177.09116	5.8
177.12695	3.8
179.10649	3.5
181.08601	8.6
181.12178	4.3
183.11749	3.1
185.13364	2.6
189.12727	26.3
191.10683	2.3
191.14299	3.4
197.13275	2.7
199.11188	5.3
201.12694	2.4
203.14264	3.4
207.13811	26.6
211.14838	2.5
215.14325	4.2
217.12274	3.3
221.13345	2.1
221.15390	6.0
231.13998	2.0
233.15384	4.3
237.14816	7.3
243.13824	12.2
256.26324	10.0
257.04379	2.4
257.26602	3.8
261.14948	3.8
269.12387	2.6
281.18967	4.7
288.92365	4.1
295.70209	2.0
299.20047	16.2
302.04080	3.2
306.93121	2.5
317.06537	8.0
317.21088	95.5
317.28729	13.6
318.21445	6.6
318.30051	30.9
328.54556	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1382
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
52.61475	1.1
53.03942	2.5
55.01869	4.6
55.05518	1.9
56.96560	5.7
58.08810	1.0
65.03932	4.0
67.05513	3.9
68.99791	3.2
69.03427	13.0
69.07057	2.0
70.06583	5.0
72.08151	2.4
79.05492	6.0
81.03400	2.6
81.07047	4.8
83.04987	1.6
84.08128	5.0
85.02905	2.8
86.09694	2.2
91.05479	25.4
93.03381	1.4
93.07039	3.6
94.04194	3.1
95.04958	7.1
97.02908	2.2
98.97578	3.3
99.04501	1.8
103.05459	4.6
103.13190	1.2
103.58719	1.2
105.07018	3.3
107.04963	6.3
109.02878	3.3
109.06518	4.7
109.10128	1.6
111.04420	2.6
115.05424	2.3
116.07058	1.8
116.98634	3.6
117.07021	2.6
119.04946	13.6
119.08597	2.6
121.02924	2.3
121.06512	11.7
122.03648	8.7
123.04429	33.4
123.08132	1.4
127.03931	1.3
128.06203	5.4
129.07005	17.4
131.04944	5.6
133.06470	2.3
133.10159	1.8
134.94116	1.1
135.04407	7.5
135.08006	1.1
136.05182	3.0
136.07565	2.6
137.02316	1.6
137.05972	100.0
139.03885	3.6
141.01755	1.2
141.05452	2.2
141.06984	2.2
143.05717	1.5
145.06467	3.4
146.01683	1.2
147.04408	31.6
147.05507	2.3
147.08046	5.4
149.05981	23.8
150.03177	1.9
150.06718	3.6
151.03905	6.0
151.07535	54.0
152.06137	1.9
153.01836	9.1
153.05481	8.8
153.06937	3.0
154.07747	1.5
155.07100	1.3
155.08566	3.6
157.06496	10.3
159.08130	1.1
160.05182	2.6
161.05971	9.3
163.03909	5.4
163.05182	1.1
163.07515	2.8
164.07068	1.3
165.05489	41.3
165.07019	12.1
167.07152	1.6
167.08548	5.2
169.03404	1.6
169.05054	1.5
169.06505	3.7
171.04506	2.0
173.06010	2.7
175.04106	1.5
175.07541	36.9
175.09018	2.6
177.00716	1.3
177.05489	4.2
178.04878	1.1
178.07780	4.4
179.03387	1.8
179.06972	1.8
179.08534	1.1
181.06451	3.4
182.07318	5.0
183.08078	3.3
185.05954	1.7
189.05428	1.4
189.09129	3.5
191.03386	2.3
191.07103	1.1
191.08575	1.1
193.04926	2.6
193.06500	6.8
193.08586	2.8
193.10188	4.9
193.51947	2.8
194.07271	2.0
194.09352	1.5
195.08064	9.9
195.09715	3.0
196.05185	1.5
197.05917	6.0
197.09569	1.4
198.06631	2.2
200.02225	1.1
201.05408	1.7
202.07848	1.2
203.03441	2.8
203.08632	1.9
205.04932	2.7
207.02988	2.4
207.06439	1.9
207.08133	1.2
208.11357	1.1
209.05959	1.9
210.06731	6.4
211.07565	10.0
213.05531	3.7
213.08900	5.5
215.02863	2.9
215.07127	1.9
216.03642	2.4
221.06003	7.8
221.09555	8.6
223.07567	4.2
224.08354	1.4
225.05515	3.1
225.09030	8.0
226.06273	1.7
227.07021	2.2
227.10495	2.4
228.04053	2.4
229.04939	7.1
230.03392	3.9
236.03345	1.4
238.06287	3.3
238.09877	1.8
239.07014	11.0
240.07843	1.4
241.05019	1.7
241.08437	5.3
243.06615	3.0
248.03523	2.1
249.09096	3.0
253.05023	1.5
253.06027	1.3
253.08559	12.0
253.12141	7.8
255.06499	2.4
255.10220	1.5
256.07336	1.8
257.04297	9.5
257.08224	4.1
258.08929	3.4
266.04358	2.7
267.10193	2.6
270.08813	2.5
271.06506	2.4
271.09607	25.2
273.11221	15.8
274.04764	2.0
281.11856	3.0
285.03937	7.1
285.07242	2.2
287.10172	6.6
287.13022	1.7
289.06927	2.1
289.12000	2.4
289.15317	2.5
299.05634	2.4
299.09460	9.4
299.12881	15.7
302.04175	5.0
317.06552	56.6
317.10632	16.2
317.14392	6.8
318.07065	1.8
330.04282	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1383
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
51.55637	1.1
52.68567	1.1
53.03937	2.6
55.01157	1.1
55.01865	4.6
56.96568	3.2
60.02181	1.2
65.03947	2.8
67.05489	4.3
68.99760	1.2
69.03421	3.5
69.36824	13.4
71.67988	1.3
79.05482	5.3
81.03420	3.6
81.07043	4.6
84.08144	3.2
86.09710	5.6
87.10052	1.8
89.03912	2.1
91.05485	29.0
93.03413	1.5
93.07043	3.1
94.04161	4.2
95.04993	6.8
97.06505	2.3
98.97580	4.1
103.05468	3.3
105.07038	2.5
107.04995	7.1
109.02895	2.2
109.06538	4.8
111.04424	2.5
115.05441	2.5
116.06181	1.6
116.98602	3.5
117.07046	2.4
119.04952	13.0
119.08581	2.6
121.02876	1.6
121.06519	15.2
122.03636	8.3
123.04423	12.5
128.06216	5.5
129.07011	20.0
131.04927	4.2
132.05690	1.3
133.06480	2.8
134.99600	2.7
135.04390	7.0
136.05212	2.9
137.05981	100.0
141.06979	3.6
143.04898	1.9
145.02844	3.3
145.06551	2.2
147.04417	20.5
147.08049	7.3
149.05984	28.1
150.03156	6.9
150.06731	3.6
151.04028	2.3
151.07550	63.1
152.06241	1.9
153.01845	8.5
153.05496	2.7
153.06917	3.3
155.08516	2.3
157.06470	12.7
160.05185	2.9
161.05983	4.3
163.03990	1.8
163.07544	4.8
165.05487	4.7
165.07005	18.2
167.07040	3.8
167.08580	8.1
168.05763	1.5
169.06532	3.8
171.04460	1.3
173.05948	1.4
175.07556	37.4
177.05484	4.7
177.06903	1.4
178.07835	6.4
179.08578	1.4
181.06483	2.8
182.07307	3.9
183.08049	5.6
189.09039	2.3
193.05049	7.5
193.06502	6.6
193.08594	5.5
193.10176	4.3
194.07227	1.7
195.08089	7.7
197.06038	10.1
200.04831	1.5
201.05443	1.6
202.07845	1.6
206.07239	1.6
209.05981	2.0
210.06754	6.2
211.07516	10.7
213.05540	1.8
213.09012	7.8
217.04906	1.4
219.01779	1.9
221.06093	9.9
221.09561	7.9
223.07367	2.8
224.08347	2.8
225.05550	3.0
225.09102	7.1
227.06993	1.7
227.10728	4.0
229.04939	4.4
235.07614	1.8
237.02852	4.7
237.09218	2.1
238.06287	5.3
239.07062	11.9
239.10762	2.6
241.04842	1.7
241.08536	9.4
249.09161	5.2
253.04730	1.4
253.08627	10.4
253.12164	7.8
255.06448	2.7
255.10255	2.7
256.07443	2.4
257.04495	3.1
257.08044	2.3
258.09039	3.2
261.07489	2.0
263.10825	1.7
267.10229	2.2
270.09061	2.5
271.06604	1.7
271.09631	33.8
272.10168	1.6
273.11203	14.6
281.11823	4.8
285.03943	3.8
285.07605	4.6
287.10172	4.8
287.13129	1.4
299.05460	2.2
299.09781	2.7
299.12802	14.9
302.04193	9.9
317.06561	47.7
317.10446	8.6
317.14081	4.6
319.09250	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1021
Annotation	Melilotocarpan E
Peak:m/z	Relative Intensity
55.05499	1.6
56.96558	1.0
62.97845	0.5
65.03943	10.1
67.01159	0.5
67.05489	1.3
69.03410	1.2
69.07056	1.2
71.06351	1.2
79.05489	0.9
81.03406	1.5
81.07043	2.3
83.04965	0.6
83.64133	0.5
91.05479	14.7
92.05814	0.6
93.03408	9.6
93.07035	2.2
93.08752	0.5
95.04955	2.8
95.08630	1.2
95.57304	0.6
97.06516	1.0
98.97568	0.8
103.05457	1.1
105.03386	1.0
105.07018	1.7
107.04943	2.0
107.08592	1.2
109.02901	1.2
109.06512	1.4
109.10136	1.7
111.04441	55.0
119.04937	7.1
119.08562	1.8
121.06509	11.2
121.10139	0.8
122.06019	1.2
123.04424	24.7
123.08024	0.8
123.11713	0.6
125.06013	0.7
127.03938	0.7
131.04936	1.2
131.08534	0.9
133.02867	0.8
133.06450	0.6
135.04396	3.8
136.05173	1.0
137.02342	4.1
137.05965	12.6
138.03091	1.6
139.03902	36.1
139.07538	4.3
141.06956	0.7
146.50597	0.6
147.04422	1.2
147.11714	1.2
149.05991	1.2
151.03926	1.3
151.07542	23.0
152.01039	1.4
153.01808	1.1
153.05432	4.4
155.07019	1.0
163.03880	2.1
164.04698	2.1
165.05460	1.5
165.06854	0.9
166.02632	1.1
167.03392	5.5
167.06989	1.3
169.01376	0.6
170.02098	1.0
175.03897	1.3
177.05513	4.4
179.07031	41.3
181.04953	23.7
181.08488	0.7
183.07994	0.7
184.03719	0.7
186.01555	0.9
189.12817	0.6
192.07921	0.6
193.04921	1.1
195.06540	1.1
202.08923	1.1
207.06529	29.8
211.07567	0.8
213.05504	0.8
229.05061	0.8
239.03561	0.7
239.06900	0.7
243.10098	0.7
257.04449	1.3
259.06070	0.5
259.09509	0.8
271.05981	1.9
281.95776	0.6
287.09039	0.7
289.10654	1.8
299.05453	2.6
299.09213	1.7
302.04092	2.6
317.06699	6.4
317.10168	100.0
318.10406	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	317.102
Annotation	7-O-Methylpeltogynol
Peak:m/z	Relative Intensity
51.02378	0.4
53.03952	1.1
53.48998	0.4
55.01870	1.6
59.19296	0.4
65.03934	1.3
66.04717	0.9
67.05500	4.9
68.99791	1.7
69.03430	0.6
69.07050	0.5
70.67573	1.3
75.74319	0.5
77.03896	0.4
79.05493	4.2
81.03439	0.9
81.07040	0.7
83.27127	0.4
85.23037	0.5
91.05483	4.5
93.03396	0.9
93.07021	0.7
94.04212	0.8
95.04967	9.2
105.03410	1.1
105.07025	0.8
107.04955	26.6
109.02863	0.7
112.42873	0.5
118.04155	1.1
119.04944	3.8
120.05721	2.1
121.02864	0.6
121.06502	1.3
123.04429	100.0
124.04784	0.7
125.06026	2.1
130.04143	1.4
131.04961	0.6
133.02879	3.8
135.03412	0.7
135.04422	12.2
137.06001	2.6
139.03876	0.8
141.07030	1.2
145.03944	1.4
145.06364	0.5
146.03647	1.2
147.04399	13.3
148.05211	4.1
149.02301	0.8
149.06020	1.3
151.03903	6.9
151.07550	1.0
153.05460	6.1
154.02609	0.9
154.18399	0.5
161.02319	1.6
161.05946	1.1
163.03912	31.9
164.04623	1.2
165.05492	1.2
165.07027	1.1
166.06262	1.4
167.07053	1.3
168.04141	0.5
169.04970	2.6
169.06482	1.3
173.05974	1.1
175.03986	1.2
176.04727	5.0
177.05444	0.9
179.03419	2.0
179.07040	1.6
181.04970	4.3
181.06401	0.9
183.06532	8.7
183.08038	1.0
184.06923	0.5
185.05966	1.0
186.06821	0.7
187.07544	0.5
193.04953	1.1
194.05768	4.1
195.06531	39.7
196.06905	0.7
197.05974	2.9
200.04607	1.0
201.05466	1.3
201.09164	1.0
203.06958	0.5
207.06575	2.7
210.06735	0.7
211.07556	1.0
213.05495	0.8
214.06230	0.8
215.07098	1.6
225.05495	2.3
226.06075	0.6
228.99084	0.6
229.08624	1.7
239.06990	1.3
241.04863	0.6
242.05719	1.8
243.06529	1.8
245.04430	0.6
253.04961	3.2
257.08038	3.6
267.06418	0.8
269.07846	0.6
270.05087	1.2
284.06628	0.6
285.07590	9.5
286.08191	0.6
287.05481	1.0
289.10648	0.6
299.09210	0.9
302.07788	0.7
317.06628	2.6
317.10175	43.4
318.10507	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1018
Annotation	2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
55.05512	0.9
58.91148	0.5
63.50833	0.5
65.03930	0.8
67.05515	0.6
68.02644	0.6
69.03432	0.8
69.07066	0.8
71.33540	1.2
73.25266	0.4
79.05489	1.1
81.07064	1.0
83.04994	0.9
83.33980	0.6
89.03401	0.9
89.03916	9.3
91.05480	1.7
93.03419	0.6
93.07043	1.3
95.04981	5.7
95.08588	0.5
105.07012	1.2
105.37082	0.5
106.04155	0.6
107.01318	2.3
107.04902	1.1
107.08590	1.0
109.06553	0.6
111.04440	2.4
112.15993	0.6
117.03388	12.7
117.06933	0.6
119.08582	1.1
121.06526	1.2
121.10120	1.5
123.04438	2.3
124.01587	4.2
131.04974	0.8
133.10155	0.6
134.03630	3.0
135.04417	11.1
137.02332	1.0
137.05959	1.7
139.03889	2.8
141.66689	0.6
145.02852	14.8
145.03998	0.8
147.04433	0.7
147.11682	0.6
149.05992	8.9
149.09639	0.6
150.03148	0.9
150.06755	6.5
151.03990	0.9
152.01045	36.8
153.01823	3.0
153.05444	1.2
159.08051	1.4
162.03078	0.7
163.03918	9.0
165.05487	0.8
165.06876	0.9
167.03404	100.0
167.10718	1.6
168.03752	1.1
169.06477	0.6
170.02113	35.4
171.02425	0.6
177.05475	54.4
178.02614	5.8
193.04990	8.0
197.05927	1.3
211.07515	2.0
214.83739	0.5
220.05235	0.6
224.04636	1.2
228.04317	0.6
239.07033	1.9
243.06393	0.6
253.04915	0.7
256.07214	0.7
257.08051	1.3
267.06534	3.4
271.09634	1.0
274.04599	0.5
281.07968	0.7
284.06885	1.2
285.07416	1.0
287.05484	1.4
288.92078	0.6
299.09119	7.9
302.04489	0.9
302.07779	3.6
317.06729	5.8
317.10175	95.2
318.10489	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
52.76126	0.2
55.01868	0.3
55.05490	0.2
56.96561	0.4
57.03428	0.5
62.99895	0.2
65.03944	0.4
67.01854	0.4
67.05495	0.8
68.99798	1.8
69.03416	0.7
69.07066	0.4
69.34245	2.2
71.41176	0.2
79.05493	0.6
81.03418	0.3
81.07052	0.8
81.90052	0.2
85.02924	0.4
85.70788	0.2
91.05478	0.8
92.02608	0.9
93.03415	0.6
93.07034	0.4
94.06577	0.4
95.04953	0.5
95.08607	0.6
97.02863	0.4
101.28322	0.2
101.30670	0.2
103.05463	0.4
105.03376	1.6
105.07018	0.7
107.04953	0.5
107.08598	0.6
109.02871	0.6
109.06515	0.4
109.10147	0.5
111.00773	0.4
111.04453	0.9
115.05491	0.3
117.07026	0.5
119.04942	0.6
119.08558	0.5
121.02888	1.2
121.06470	0.3
121.10167	0.4
122.06029	1.1
123.04417	0.4
124.07642	0.3
125.06067	0.2
126.03107	0.4
129.07043	0.4
131.04942	0.4
133.02837	1.1
133.06432	0.3
134.03656	0.5
135.04416	1.4
137.02386	0.5
137.05971	1.0
139.03952	1.1
143.08524	0.3
145.06436	1.4
147.04399	0.7
149.02373	0.5
150.03133	2.7
151.03891	0.4
151.07584	0.3
152.01190	0.2
153.01828	19.5
153.05350	1.2
155.04924	0.7
157.06477	0.6
159.04382	0.4
161.06012	0.8
163.03857	1.1
165.01933	0.3
165.05519	0.4
167.03336	0.3
168.00456	0.5
170.02182	0.5
171.02859	0.4
171.04451	0.3
173.05980	1.6
175.03941	0.4
177.01862	0.8
177.05585	0.4
179.03418	0.4
181.04893	0.3
183.04436	0.6
185.05951	0.5
186.01627	0.9
187.03862	1.2
191.03430	2.5
192.04213	0.5
200.04681	0.4
201.05455	1.9
203.03416	2.2
204.04181	2.3
205.04979	4.5
207.06477	0.5
209.04424	0.7
211.03926	0.5
213.05486	1.9
215.03505	1.2
217.04979	1.6
218.05818	0.7
225.05542	0.4
225.10229	0.8
228.04150	1.6
229.04967	28.1
230.05351	0.5
231.02933	0.9
232.03673	0.7
233.04471	0.9
239.03412	1.0
243.02771	0.3
243.06480	0.6
245.04541	1.1
246.05196	1.1
247.06087	1.1
253.09698	0.2
256.03683	0.6
257.04459	18.5
258.04749	0.3
260.03305	0.3
261.07507	1.2
271.06134	1.2
271.10629	0.2
273.03839	1.3
274.04736	2.6
284.03146	1.4
285.03937	6.6
285.07022	0.4
289.07004	0.7
299.05612	0.5
299.10205	2.6
301.03442	0.6
302.04214	14.1
317.06564	100.0
318.06952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.78398	0.2
55.01857	0.4
61.15708	0.2
65.03938	0.3
67.05494	0.3
68.99788	0.7
69.03442	1.2
70.66291	0.2
71.41064	0.4
72.22195	0.2
77.28246	0.2
79.05495	0.4
81.07042	0.6
85.05159	0.2
86.36164	0.2
89.03891	0.4
90.27506	0.2
91.05488	1.7
95.01351	0.2
95.04960	0.3
99.00821	0.3
99.04455	0.3
103.05448	0.2
105.03378	0.6
105.07030	0.3
107.04980	0.4
107.08569	0.3
109.02867	0.4
109.10159	0.5
112.01566	0.4
115.05482	0.2
117.03417	0.3
117.06998	0.3
119.04933	0.3
119.08568	0.3
121.10149	0.3
123.00778	1.0
123.04412	0.5
125.02336	1.3
127.00262	0.3
131.04901	0.5
133.02834	0.3
133.10118	0.2
134.03625	2.3
135.04393	0.6
137.02345	0.5
137.06010	0.5
138.03154	0.3
140.01053	0.6
145.06453	0.3
147.04404	0.2
149.02338	0.3
149.63876	0.2
151.03854	0.3
153.01831	3.6
153.05458	2.8
155.03438	0.3
155.04927	0.4
157.10197	0.2
159.04431	0.5
159.07982	0.2
161.02315	1.3
163.03951	0.4
168.00549	3.6
168.05652	0.2
169.01343	1.4
169.06465	0.3
171.02876	1.3
171.04231	0.3
172.05191	0.6
173.05972	0.5
179.03343	0.4
183.02892	8.5
183.04330	0.4
184.05196	0.2
186.01585	4.6
187.03946	0.3
187.07370	0.3
190.06363	0.2
197.06050	0.6
199.02344	3.5
199.04024	0.3
200.04694	1.1
201.05434	0.5
207.06493	0.4
211.03857	0.4
215.07051	0.7
218.05754	0.7
221.04671	0.3
225.05441	0.3
227.07224	0.2
228.04211	1.0
229.04988	1.2
233.08063	0.6
243.06546	1.0
245.04498	1.8
246.05212	1.4
247.05751	0.3
256.03662	1.8
257.04501	0.8
261.07584	2.0
271.05975	3.5
273.03992	0.3
274.04730	0.7
284.03174	1.9
285.03888	0.7
289.06985	0.8
299.05518	2.1
301.03336	2.6
302.04221	10.5
303.04608	0.4
317.06552	100.0
318.06876	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
52.69817	0.3
53.03914	0.3
55.01840	0.4
57.94297	0.3
58.10441	0.3
67.05482	0.6
67.98013	0.2
68.99784	2.0
69.07037	0.3
70.86647	0.5
71.04939	0.4
74.19505	0.3
79.05457	0.3
81.03389	0.4
81.07028	1.0
84.02107	0.5
90.14690	0.3
91.05457	0.7
93.07011	0.5
95.04911	0.5
95.08550	0.4
99.00801	1.1
105.03392	0.5
105.07002	0.3
107.08610	0.4
109.10097	0.5
112.01544	1.2
119.04877	0.3
121.06399	0.3
121.10231	0.3
123.04407	0.4
127.00231	0.7
128.06219	0.4
133.10228	0.3
134.03627	5.6
135.04445	0.3
137.02327	0.6
137.05927	1.2
140.01039	2.2
147.04308	0.4
151.03882	1.1
151.07401	0.4
153.01825	0.6
153.05434	0.6
165.05560	0.3
168.00546	10.3
168.01970	0.6
169.01317	4.7
172.05138	0.6
175.03941	0.6
181.04967	0.6
183.02873	0.7
186.01607	13.3
200.04645	1.6
201.05458	0.3
203.03372	0.3
211.03984	0.4
217.04997	0.5
218.05687	2.2
227.03343	0.4
227.06969	0.4
228.04138	1.8
229.04956	1.1
245.04466	5.0
246.05174	3.1
256.03677	3.0
257.04471	2.2
271.05994	1.2
273.03802	0.8
274.04749	1.9
284.03171	1.3
285.03802	1.0
299.05423	0.7
301.03442	9.9
302.04205	79.0
303.04565	1.2
317.06555	100.0
318.06891	1.4
335.08881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
59.59465	0.2
65.03944	0.9
67.05502	0.2
68.99791	0.5
69.03419	0.3
76.93543	0.2
79.05465	0.2
81.03403	0.3
81.07054	0.3
91.05510	0.2
92.02632	3.4
92.46477	0.2
93.03403	3.1
94.04185	0.2
95.08605	0.3
97.06509	0.2
98.21546	0.3
102.82813	0.2
105.07034	0.2
109.02902	0.4
111.00828	0.5
121.02872	2.2
123.04403	0.2
126.03156	1.2
133.02811	0.3
137.02313	0.9
137.05969	1.1
138.03107	0.2
139.03918	1.1
145.06493	0.4
150.03120	0.2
151.03902	1.5
153.01833	18.1
153.05363	0.9
155.04901	0.4
155.06064	0.2
161.06023	0.2
163.03972	0.5
165.01813	1.1
170.02126	0.2
173.05965	0.6
174.99437	0.2
176.04692	0.2
177.05453	0.6
179.03424	0.3
183.02806	0.3
187.03902	0.4
189.05501	0.2
190.06224	0.3
200.04703	0.8
200.50836	0.2
201.05481	1.8
203.03403	1.6
204.04202	0.3
217.05013	3.0
218.05699	1.2
219.02882	0.7
219.06953	0.2
228.04176	3.7
229.04955	6.8
231.02879	1.2
232.03690	0.3
233.04543	0.3
243.06575	0.5
245.04495	3.6
246.05225	3.3
246.07518	0.3
256.03708	0.6
257.04489	3.8
260.03174	0.8
261.07584	0.6
271.06052	0.3
273.03949	3.5
273.11581	0.2
274.04727	7.3
284.03204	0.8
285.03967	5.9
286.04382	0.3
288.06229	0.4
299.05609	0.3
301.03339	0.6
302.04221	22.6
303.04553	0.4
317.06567	100.0
318.06973	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Batatifolin
Peak:m/z	Relative Intensity
68.99789	0.5
69.40530	2.0
69.40945	0.4
79.05514	0.3
80.80811	0.2
81.07054	0.7
82.00558	0.4
91.05463	0.6
95.04974	0.6
95.08585	0.3
96.30983	0.3
97.02882	0.6
98.21603	0.3
105.03395	0.5
107.01341	0.4
107.04912	0.3
116.69122	0.3
117.06995	0.3
118.70277	0.2
119.04928	0.5
123.04408	0.6
125.02342	0.8
128.06210	0.3
131.04932	0.5
131.08588	0.3
135.04396	1.0
137.02307	0.3
137.05972	0.7
145.06511	0.8
149.02286	0.3
150.03122	9.9
153.01831	17.8
153.05385	0.6
155.04898	1.7
157.06532	0.3
158.03680	0.4
161.59427	0.3
163.03841	0.4
167.04863	0.3
169.06476	1.1
170.02132	1.7
172.11156	0.4
173.05974	1.2
174.12732	0.3
177.05450	0.3
179.03368	0.4
183.04453	1.8
187.03908	0.4
187.07532	0.2
191.03406	2.1
197.05907	1.1
200.04695	1.6
200.10849	0.3
201.05472	2.0
203.03456	0.6
207.06506	0.4
209.04335	0.3
211.03868	1.0
212.04713	0.5
213.05455	2.1
215.03384	0.3
215.06990	1.4
217.04980	1.5
218.05786	0.3
218.11765	1.2
225.05434	0.7
227.03386	0.9
227.06932	0.4
228.04176	7.7
228.10236	0.5
229.04958	8.0
231.02890	0.4
239.03387	0.4
240.04250	1.7
241.04956	0.6
243.06573	1.5
245.04433	0.7
246.11325	0.7
253.04929	0.7
256.03662	2.7
257.04459	6.6
261.07526	1.7
268.03735	1.9
269.04449	1.2
271.06030	7.6
284.03406	0.7
285.03979	5.1
289.11926	0.4
299.05542	3.4
299.08798	0.4
299.10452	0.3
302.04205	9.8
302.07562	0.6
317.06561	100.0
318.06958	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.8
68.99796	0.4
69.29832	1.1
69.30261	0.7
71.99485	0.2
75.82236	0.2
91.92088	0.2
92.02630	3.3
93.03413	2.4
95.01307	0.2
95.04978	0.2
104.71049	0.2
109.02884	0.2
111.00817	0.5
121.02872	2.2
124.01574	0.2
126.03139	1.1
130.44865	0.2
135.04449	0.2
137.02356	0.5
137.05994	0.5
139.03938	0.8
145.06487	0.2
150.03127	0.2
151.03923	1.3
153.01831	17.7
161.05943	0.2
163.03972	0.5
165.01888	1.3
166.02565	0.3
167.83408	0.2
170.02086	0.2
173.05972	0.4
177.05449	0.3
179.03358	0.4
183.02898	0.5
183.04407	0.4
187.03951	0.2
191.03424	0.2
192.04219	0.2
200.04643	0.7
201.05481	1.8
203.03380	1.5
204.04172	0.3
217.04961	3.2
218.05759	1.3
219.02963	0.6
228.04184	3.4
229.04974	5.1
231.02917	1.3
232.03564	0.2
239.03490	0.2
243.06573	0.5
245.04451	4.0
246.05231	3.3
256.03738	0.8
257.04471	3.9
260.03180	0.8
261.07593	0.5
271.05960	0.6
273.03967	3.4
274.04739	7.4
284.03174	0.7
285.03937	5.6
286.04596	0.2
287.01785	0.3
288.06210	0.4
299.05359	0.3
301.03433	0.4
302.04221	23.6
303.04541	0.2
317.06567	100.0
318.06894	1.9
330.80783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.2
58.51695	0.1
65.03643	0.1
65.03937	0.7
66.04714	0.1
67.01874	0.1
67.05497	0.3
68.99796	0.6
69.03420	0.3
69.41473	0.6
69.41914	0.6
81.03411	0.4
81.07044	0.4
84.08100	0.1
85.02890	0.2
85.06538	0.1
86.09697	0.2
91.05476	0.6
92.02047	0.2
92.02627	3.5
93.03404	3.0
93.07047	0.3
93.28635	0.1
94.04189	0.2
95.01330	0.3
95.04985	0.4
95.08597	0.3
105.07011	0.3
107.04942	0.2
107.08588	0.2
108.02130	0.1
109.02868	0.5
109.06517	0.2
109.10157	0.3
111.00786	0.6
111.04456	0.2
115.05466	0.2
121.02867	2.2
121.06481	0.3
121.10110	0.2
122.03673	0.4
123.04429	0.5
124.01563	0.1
124.05202	0.1
126.03133	1.0
131.04897	0.2
131.06879	0.1
133.02808	0.2
133.10197	0.2
135.04402	0.3
137.02344	0.6
137.05980	0.7
139.03925	1.0
145.06517	0.2
145.10117	0.3
147.04433	0.2
149.02342	0.2
149.06044	0.2
150.03110	0.2
151.03897	1.7
151.07472	0.2
152.01022	0.2
153.01826	19.0
153.05435	0.5
155.04837	0.2
161.05997	0.4
162.03242	0.1
163.03888	0.7
165.01837	1.3
165.05502	0.3
165.06961	0.2
166.02602	0.4
167.03392	0.3
170.02092	0.4
172.05219	0.2
173.05975	0.5
177.05519	0.9
179.03377	0.5
183.02942	0.3
183.04431	0.4
187.03850	0.3
189.05489	0.2
190.02542	0.1
190.06342	0.3
191.03416	0.2
192.04195	0.2
193.05051	0.1
194.02158	0.2
200.04691	1.0
201.05470	2.0
203.03387	1.8
204.04211	0.3
205.04866	0.1
211.03957	0.2
213.05476	0.3
217.04970	3.7
218.05724	1.1
219.02917	0.7
225.08989	0.1
228.04164	3.8
229.04950	5.4
231.02890	1.2
232.03720	0.2
233.04317	0.2
239.03432	0.2
243.06482	0.5
245.04460	4.1
246.05222	3.5
256.03625	0.7
257.04456	3.6
259.02362	0.2
260.03085	0.8
261.07645	0.4
271.03403	0.1
271.06015	0.7
271.09439	0.1
273.03928	3.2
274.04712	7.4
275.05209	0.2
284.03256	0.9
285.03937	6.0
286.04642	0.3
287.01831	0.3
288.06085	0.3
289.06537	0.1
299.05457	0.4
299.09204	0.2
301.03430	0.6
302.04214	24.2
303.04575	0.4
317.06552	100.0
318.06912	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
53.03929	0.4
55.01873	0.8
56.96559	0.6
57.03429	1.4
58.16797	0.3
65.03957	0.3
67.05531	0.4
68.99786	1.2
69.03426	3.5
70.85583	0.6
70.85928	0.4
71.04987	0.3
79.01846	0.7
79.05509	0.7
81.07054	0.5
83.04972	0.5
84.08143	0.7
85.02904	1.1
86.09734	0.4
90.20780	0.3
91.05474	1.2
94.04212	0.3
95.04954	0.6
97.02870	1.0
101.06015	0.4
103.05489	0.6
105.03399	0.7
107.01308	1.0
108.02139	0.4
109.02858	0.7
109.06506	0.4
110.07572	0.3
111.04431	0.3
115.05452	0.4
116.98663	0.3
119.04964	1.3
121.02853	0.6
121.06511	0.4
122.03600	0.3
122.26956	0.3
123.04429	10.3
125.02375	0.8
127.04013	0.3
129.07033	0.5
131.04927	1.0
133.02803	0.7
135.04420	2.0
137.02390	1.5
137.05978	2.5
139.03909	1.8
139.05421	0.7
141.05426	0.7
143.04890	0.4
145.06490	0.9
147.04416	4.9
149.02304	1.0
149.05983	0.9
150.03108	2.9
151.03918	1.4
151.07523	0.4
153.01836	17.5
153.05455	3.4
155.04912	2.0
157.06480	0.8
159.04420	0.9
161.05983	1.5
163.03931	2.6
164.04657	0.5
165.01836	1.2
165.05486	18.4
167.03499	0.4
167.04845	0.4
169.06529	0.5
170.02136	1.0
173.05965	2.3
176.04562	0.3
177.05467	0.9
179.03429	0.9
179.07024	0.7
179.73291	0.3
183.02948	0.3
183.04454	1.1
183.08073	0.3
184.05135	0.4
185.05984	0.6
187.03928	1.2
187.07544	0.6
191.03418	4.6
193.04988	1.0
195.04543	0.5
195.06514	0.5
197.06021	0.5
199.03928	0.3
200.04695	0.7
201.05469	6.4
202.95386	0.3
203.03380	3.6
204.04155	1.8
205.04950	4.3
207.06532	0.8
209.04497	1.3
211.03946	1.6
212.04611	0.4
213.05412	2.7
215.03423	0.6
215.07018	0.9
217.04929	0.6
225.05536	0.3
227.06963	0.6
228.04176	2.2
229.04959	18.9
230.05550	0.9
231.02948	1.7
232.03726	0.5
233.04510	1.1
239.03510	0.5
241.05025	1.7
243.06506	2.3
243.11465	0.3
247.06116	0.5
253.05170	0.4
256.03745	1.3
257.04462	17.8
258.04868	0.9
261.07507	0.7
267.03128	0.4
267.06546	0.5
271.06091	3.4
271.10712	0.7
273.07919	0.3
274.04767	0.7
281.07968	0.3
284.03235	2.0
285.03955	15.9
287.10156	1.3
289.07056	0.8
289.11691	0.7
299.05505	2.3
299.09567	1.6
302.04190	5.3
302.07471	0.4
317.06586	100.0
318.06967	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
56.96558	0.8
57.07073	12.8
60.04528	2.3
67.05487	2.0
69.07088	0.6
70.06590	13.9
71.08282	0.6
71.08633	6.8
71.61048	0.6
74.06119	0.4
74.43124	0.5
79.05482	1.3
80.23070	0.4
81.07044	1.8
85.10181	3.7
88.07627	23.9
91.05484	0.5
93.07001	1.1
94.06617	0.4
95.08588	1.7
97.06512	0.7
98.97626	0.6
106.08664	28.8
109.06481	0.6
109.10110	0.6
134.99667	0.5
136.32690	0.5
147.11664	0.5
152.36615	0.5
172.95276	0.9
267.09091	0.6
298.27448	0.7
298.30896	0.9
302.04263	0.5
316.08939	1.6
316.32086	100.0
317.06433	0.7
317.32474	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03953	0.7
55.01888	0.4
55.05514	5.4
56.05042	4.3
56.96565	0.3
57.03453	0.5
57.07077	2.1
60.04529	100.0
61.04868	0.5
65.03954	0.3
67.05508	8.7
68.05027	1.2
69.07074	5.2
69.81447	1.9
70.06594	1.1
71.04987	0.3
71.08649	1.0
72.04525	2.0
74.06087	2.5
79.05499	4.6
79.05917	0.5
80.05032	1.4
81.03410	0.4
81.07058	8.4
82.06588	1.4
82.07384	0.3
83.04989	0.5
83.08624	4.0
84.08127	0.4
85.06536	0.5
85.10207	0.4
86.06068	0.6
87.04471	2.7
88.07632	0.4
90.05553	1.2
91.05470	2.7
93.07040	3.5
94.06594	1.0
95.04980	0.9
95.08617	7.0
96.08131	0.9
97.06544	0.7
97.10193	2.1
98.06024	0.3
98.20754	0.3
100.07618	0.7
102.05548	0.4
105.07020	1.8
107.08606	1.7
108.08136	0.6
109.06527	0.3
109.10163	3.0
111.08049	0.4
111.11765	0.4
112.07563	0.3
116.07082	0.7
119.08540	1.5
121.10155	1.0
123.08060	0.7
123.11726	1.0
133.10153	1.0
135.11728	0.8
135.36011	0.3
137.13274	0.6
147.11745	0.4
149.13235	0.3
151.14833	0.4
166.10973	0.3
212.23792	0.3
245.22725	0.6
250.25287	1.4
256.26337	1.3
261.44965	0.3
262.25388	1.7
263.23724	0.4
268.26370	0.9
280.26376	11.5
281.26694	0.7
298.27435	12.8
299.27780	0.5
316.09073	1.0
316.28479	35.4
317.06412	0.4
317.28903	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92873	6.3
56.96549	24.0
59.48564	6.2
59.62067	6.5
65.25629	6.8
69.63370	54.7
69.96152	11.5
75.76625	6.6
98.20752	12.6
98.97585	92.4
101.93484	6.7
116.98606	89.2
118.21876	7.0
119.01915	12.9
125.08723	6.4
134.99669	69.4
153.00685	10.0
172.94366	8.5
177.00941	28.5
179.76068	7.4
190.95386	13.3
203.02396	12.3
208.96333	7.4
219.02071	43.1
220.02068	9.8
221.01848	15.1
232.96227	10.7
234.99855	23.9
243.01843	7.9
250.97517	19.4
256.96637	8.1
261.00540	7.0
261.02979	46.5
264.03003	7.2
274.97464	100.0
277.01025	8.4
292.98364	95.6
306.93094	11.0
315.95526	12.3
316.07629	47.2
325.24301	7.5
333.96317	8.4
334.08798	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	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
52.84292	0.3
53.03936	0.5
55.01857	0.5
55.05497	0.6
65.03910	0.5
67.05492	0.5
68.99777	0.9
69.03407	0.6
69.45643	1.9
69.46053	0.9
79.05489	0.7
81.03394	0.6
81.07054	0.6
85.02876	0.4
91.05479	0.8
92.93613	0.3
93.07067	0.5
95.08598	0.7
98.10236	0.4
98.20788	0.7
103.05472	0.4
105.07028	0.4
107.04976	1.3
107.08602	0.5
109.02879	0.5
109.06489	0.3
109.89066	0.3
111.04395	0.4
117.07010	0.6
121.02837	0.6
121.10201	0.3
123.00793	0.8
123.04424	0.9
127.03961	0.4
129.06993	0.8
131.04906	0.9
131.08556	0.4
133.10162	0.4
134.03651	1.3
135.04343	0.9
135.08144	0.4
137.05983	2.3
141.06973	0.5
142.23782	0.4
143.05670	0.8
143.08484	0.4
145.10036	0.4
146.03627	0.5
147.04410	3.8
149.02345	0.8
151.03903	0.9
152.06180	0.6
153.06987	1.0
155.04883	0.6
157.06503	0.6
159.04524	0.5
159.14040	0.4
160.05173	0.6
161.02321	0.6
161.05960	1.2
162.03152	0.4
163.07474	0.3
165.05624	0.6
165.07022	1.5
166.02597	0.4
167.03444	1.6
167.04744	0.4
167.08569	0.4
169.06503	1.2
170.07254	0.5
171.04379	1.9
173.05969	1.6
178.02617	0.8
181.05084	0.5
181.06494	2.6
182.07239	0.5
183.04317	0.4
184.03670	2.5
184.05219	1.8
185.05949	1.7
186.06700	0.5
187.03996	0.5
191.06981	0.5
193.04950	1.5
193.06537	0.4
194.07292	0.7
195.02896	0.5
195.04509	0.5
195.08060	1.0
197.05986	10.8
198.06752	5.0
199.03914	0.4
199.07480	0.5
199.51688	0.4
200.04640	0.4
201.05476	4.3
208.05203	1.5
209.05968	3.5
210.06767	6.9
211.03897	2.3
211.07468	0.4
212.04697	1.1
213.05418	2.1
214.06190	0.5
216.04155	0.7
222.06712	0.8
223.07571	0.7
225.05511	3.3
226.06262	5.4
227.06953	1.0
228.16928	0.4
229.05011	2.7
231.06435	0.5
236.04610	2.4
237.05443	2.6
237.09157	0.7
239.03346	1.0
239.07022	0.5
240.04184	1.9
241.05008	0.8
243.06483	2.1
244.07338	1.4
253.04959	3.0
254.05736	8.1
255.02858	1.2
255.06630	2.3
255.10294	1.4
257.04483	8.4
258.05182	0.5
259.09650	0.5
265.04977	3.1
265.08569	1.1
268.03690	0.8
269.04468	0.6
269.08075	0.8
271.06012	1.9
272.06699	1.1
281.04443	1.1
282.05231	33.8
283.05991	4.1
283.09613	3.1
284.03226	0.6
285.03943	15.5
286.04553	0.5
287.05557	0.9
297.03827	0.4
297.11237	1.1
299.05463	5.5
300.06287	38.3
301.06812	0.5
315.08618	100.0
316.09064	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	Chrysoeriol 5-methyl ether
Peak:m/z	Relative Intensity
55.01871	1.9
55.05505	0.9
56.96556	0.6
65.03941	0.8
67.05495	1.3
68.35857	0.5
68.84935	0.4
68.99792	5.4
69.03411	1.3
69.07062	1.3
69.23119	0.4
69.38282	4.7
71.01365	0.7
71.04973	0.7
71.30775	0.4
79.05482	1.2
81.03420	0.8
81.07049	2.0
83.04977	0.9
85.02902	1.7
91.05492	2.9
92.33068	0.4
93.07042	1.1
95.04955	1.8
95.08588	1.5
97.06567	0.5
98.97557	0.5
103.05489	0.7
105.03371	0.6
105.07020	1.5
107.04945	3.5
107.08624	0.9
109.02892	1.3
109.06522	0.6
109.10153	1.3
111.04455	1.0
113.02327	0.5
115.05456	1.8
117.07014	1.0
119.04935	1.3
119.08585	1.5
121.06509	1.1
121.10135	0.6
123.04430	3.2
123.11665	0.5
125.02405	0.5
125.06010	1.2
127.03909	2.1
128.06218	1.7
129.06981	2.2
130.04195	0.5
131.04947	2.3
131.08539	0.8
132.05751	0.8
133.02872	0.9
133.06490	0.8
133.10129	0.7
134.03629	1.7
135.04434	2.5
135.11685	0.6
137.02342	1.7
137.05954	2.0
139.03874	2.7
139.05435	0.8
141.07027	2.2
143.04900	0.5
143.08530	1.1
144.05754	0.6
145.06477	2.0
145.10086	0.7
147.04413	9.8
147.11725	0.7
148.05171	2.0
149.02374	0.6
149.05980	0.8
149.09618	0.5
151.03909	1.5
151.07542	0.8
152.06238	2.7
153.01869	0.7
153.05473	3.3
153.06990	4.8
155.03391	3.8
155.04892	1.4
156.05685	1.6
157.06506	4.4
159.04419	0.8
159.11795	0.5
160.05182	3.8
161.06006	4.2
163.03920	1.3
163.07664	0.6
165.05573	0.8
165.06987	1.9
167.03375	1.7
167.08582	1.1
168.05664	0.7
169.04967	1.4
169.06485	2.5
170.03580	0.6
171.04424	3.4
171.08038	1.6
171.11719	0.5
173.05994	4.2
175.03920	2.2
175.07576	0.9
176.04755	0.6
177.05458	1.5
177.06912	0.9
179.03328	1.3
181.04985	0.9
181.06465	8.6
182.07182	0.6
183.04422	1.1
183.07994	0.7
184.05208	6.4
185.05992	5.9
186.06915	0.9
187.03941	2.4
187.07567	1.8
188.04741	0.8
191.06947	0.5
193.05037	2.3
194.05765	0.7
194.07458	0.7
195.04460	1.3
195.08058	1.3
196.05263	0.5
197.05994	5.7
198.06729	2.7
199.03937	1.5
199.07513	6.1
200.04623	0.6
201.05492	7.0
205.04987	1.2
208.05298	1.2
209.05949	3.9
210.06575	0.7
211.03886	1.4
211.07506	1.2
212.04677	7.0
213.05476	8.7
213.09006	0.8
214.06264	0.7
215.03435	1.0
215.07027	1.4
217.05043	0.5
222.06924	0.7
223.04094	1.1
223.07596	1.6
224.04773	0.7
224.08260	0.7
225.05534	2.9
226.06252	4.2
227.03493	0.9
227.07024	11.0
228.07748	1.0
229.04980	4.2
231.06505	0.8
236.04555	1.0
237.05457	9.1
237.09068	1.1
238.06212	0.9
239.03336	1.2
239.07043	1.3
240.04166	7.6
241.04987	5.4
241.08650	1.4
242.05653	0.9
243.06551	1.7
244.03737	0.9
244.07393	1.1
245.08070	1.0
251.07089	0.9
252.04320	0.5
253.05025	3.5
254.05775	7.5
254.08568	0.6
254.09412	0.5
255.06522	21.6
255.10268	1.7
256.07312	1.6
257.04453	5.0
258.05084	0.6
259.06036	0.7
259.09689	1.4
265.04953	5.5
265.08499	1.4
266.05762	2.1
267.06558	1.8
268.03833	2.5
268.06790	0.5
269.04626	3.0
269.07800	2.3
270.05295	1.9
271.05948	1.9
272.06781	19.1
273.07510	1.5
281.04541	0.8
282.05286	3.6
283.06061	39.5
283.09561	5.7
284.03424	0.8
284.06696	6.3
285.03943	6.0
285.07550	1.9
287.05548	3.3
287.09119	4.8
297.07947	1.6
299.05359	2.7
300.06290	30.5
301.06781	1.6
315.05243	4.9
315.08624	100.0
315.12033	4.2
316.09174	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.00063	0.2
53.03954	0.2
55.42192	0.2
57.43793	0.2
67.05514	0.3
74.17436	0.2
79.05483	0.2
81.07080	0.3
91.05505	0.2
95.01337	0.4
105.07068	0.2
108.02105	0.2
109.02883	0.5
117.10286	0.2
123.04426	0.6
125.02445	0.2
129.07002	0.2
133.02873	0.4
134.03635	8.5
134.04645	0.4
135.04388	0.4
136.43872	0.2
137.02397	0.4
137.05969	1.0
138.03108	2.8
138.04086	0.2
141.07051	0.2
151.03912	0.2
155.03360	0.3
159.04391	0.2
161.02371	0.4
161.06004	0.5
165.06978	0.2
166.02621	2.2
167.03403	10.2
171.08362	0.2
177.05592	0.2
181.04984	2.1
181.06461	0.3
184.03691	3.7
185.06116	0.2
188.08348	0.2
197.06041	0.9
198.06750	0.3
201.05484	0.5
208.05205	0.3
215.07037	2.6
216.04329	0.2
216.07843	0.5
225.05528	0.5
226.06255	0.3
227.07082	0.7
231.10182	0.5
237.08958	0.3
240.07787	0.3
241.08565	0.4
242.05811	0.6
243.06520	6.5
244.07339	2.9
253.04977	0.4
254.05672	0.6
255.02606	0.2
255.06474	0.4
255.10289	0.3
256.65903	0.2
257.04434	1.7
259.09622	0.5
269.04382	0.3
269.08121	0.6
270.05188	0.8
271.06049	6.0
272.06729	1.6
275.19061	0.2
282.05267	0.5
283.06024	1.7
283.09659	1.1
287.08990	0.4
297.07681	0.3
299.05502	8.1
300.06287	31.4
301.06543	0.4
315.08612	100.0
316.09003	1.6
338.48465	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	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
68.99883	0.4
69.07163	0.3
69.52062	1.8
79.05553	0.2
81.07114	0.2
86.34795	0.2
91.05560	0.3
95.01422	0.3
105.03484	0.3
107.05033	0.3
111.04531	0.3
123.00780	3.1
131.05057	0.3
133.02969	0.3
134.03641	1.9
137.02499	0.3
137.06090	0.4
138.03247	0.8
139.04121	0.2
139.05544	0.7
143.04973	0.3
145.06577	0.2
147.11760	0.3
148.05283	0.5
151.04059	0.8
153.01826	1.7
155.05011	0.4
156.05824	0.5
161.06094	0.3
163.03990	0.3
166.02745	0.9
167.03416	5.7
167.04909	0.6
169.06624	0.2
173.06052	0.5
175.04071	0.4
183.04512	0.5
183.50243	0.2
184.03687	13.2
185.04422	0.2
185.06111	0.2
187.03944	0.4
195.04591	0.6
195.08072	0.2
198.06851	0.3
199.07639	0.7
201.05472	2.2
208.05321	0.3
211.03990	0.5
212.04704	3.1
212.06569	0.2
213.05553	0.8
215.07068	0.6
216.07826	2.5
217.05133	0.3
223.04030	0.3
223.07524	0.3
226.06345	0.4
227.07008	2.7
228.04306	0.4
229.04962	5.4
239.03403	0.3
240.04176	5.6
240.07864	0.4
241.04910	0.5
243.06532	7.9
244.07292	4.6
251.03308	0.2
254.05704	0.5
255.06493	4.1
257.04471	3.2
259.09595	1.9
265.08835	0.3
267.03027	0.6
268.03653	4.8
269.04401	0.3
271.06116	1.1
272.06808	2.5
282.05209	0.3
283.06015	7.9
283.09457	0.7
284.03268	0.5
285.03821	1.1
287.05597	0.4
287.09021	0.3
299.05521	6.1
300.06281	33.9
301.06625	0.4
315.05124	7.5
315.08588	100.0
316.08936	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01866	0.5
55.05495	0.7
55.37825	0.3
56.79751	0.4
56.96556	0.5
67.05496	0.8
68.99786	0.7
69.03423	0.9
69.07061	1.0
69.52956	3.1
70.93129	0.4
79.05486	0.6
81.03426	0.4
81.07047	1.8
83.04933	0.5
84.52412	0.4
85.02895	0.6
88.03994	0.3
91.05469	1.0
93.07053	1.0
95.04955	0.6
95.08590	0.8
103.05447	0.4
105.06992	1.0
107.04951	0.8
107.08588	1.1
109.02900	0.5
109.06517	0.4
109.10133	0.5
111.04374	0.4
121.02887	0.4
123.04415	0.6
125.09604	0.4
131.04880	0.5
133.02904	0.5
133.10147	0.4
137.02339	7.0
137.05992	0.5
146.03642	0.4
147.04378	1.0
147.05479	0.4
147.08145	0.4
148.05194	0.5
149.02345	7.0
151.03984	0.4
152.06206	0.6
153.01837	0.5
153.05495	1.3
155.06000	0.7
159.08017	0.4
161.05978	0.8
163.03911	0.7
163.07471	0.4
164.04692	16.2
165.07013	0.8
167.03500	0.8
167.08562	0.5
169.07587	0.4
171.07967	0.6
173.05928	0.5
177.12656	0.4
181.06427	0.8
182.06033	0.4
184.03720	0.5
184.05182	1.4
185.05782	0.5
185.07224	0.5
187.03889	2.6
189.05458	1.5
191.07152	0.4
193.04997	0.4
194.07368	0.5
195.05586	0.9
195.07916	0.6
196.05234	0.5
197.05902	1.1
199.07434	0.7
200.04581	0.4
201.05446	1.9
208.05118	0.4
211.03850	0.7
212.04713	2.0
213.05492	1.5
215.03391	7.3
222.07773	0.4
223.08800	0.8
224.04701	4.9
225.05417	1.1
226.06226	1.3
227.06744	1.9
228.04146	0.7
229.04929	3.8
236.04758	0.4
237.09198	0.5
239.03450	1.1
239.07062	0.9
240.04112	2.0
240.07742	0.6
241.04929	0.7
243.06465	1.5
244.07205	0.8
251.08214	2.8
252.04289	0.4
253.05048	1.4
254.05699	1.8
255.06436	6.0
255.10899	0.8
256.63297	0.4
257.04483	8.8
259.09830	0.5
267.02896	0.4
268.03680	3.4
269.04340	0.5
269.09167	2.0
271.05963	1.5
272.06784	1.1
279.07529	2.6
281.04456	0.6
282.05246	1.1
283.06006	9.7
283.09641	3.3
285.03946	10.6
286.04636	0.4
287.05469	0.4
287.09048	0.9
297.08691	4.4
297.11594	0.6
299.05518	3.0
300.06293	45.4
301.06592	0.8
315.08618	100.0
315.12543	3.8
316.09067	1.8
338.34396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	Melannein
Peak:m/z	Relative Intensity
53.03940	0.4
55.01863	0.7
55.31928	0.3
60.94169	0.4
62.65630	0.3
65.03941	0.6
67.05501	0.8
68.99780	1.7
69.03415	0.4
69.07078	0.6
71.26882	0.6
75.04491	0.7
79.05495	1.0
81.03407	0.9
81.07047	1.5
83.04991	0.5
83.08614	0.4
91.05479	1.2
93.07072	0.4
95.04967	1.2
95.08592	0.4
96.02103	0.7
97.10165	0.4
97.95794	0.4
105.03382	0.4
105.07033	1.2
107.04926	1.1
107.08583	0.5
109.02887	0.4
109.06522	0.6
109.10130	0.8
111.04459	2.1
116.98622	0.4
118.04212	0.4
119.04936	2.1
119.08610	0.4
121.02864	3.4
121.06511	1.6
121.10166	0.4
122.03611	0.9
123.04433	4.7
124.01534	0.5
125.05976	0.5
127.03869	0.4
128.06223	0.5
131.04930	1.0
131.08627	0.4
133.02840	1.1
133.10065	0.4
134.03680	0.5
135.04440	1.8
135.11653	0.4
136.06186	3.8
137.02328	4.2
137.05832	2.1
138.06786	0.7
139.03906	2.0
145.06497	0.5
145.10175	0.7
147.04401	1.6
147.08041	0.4
148.05180	3.4
149.02335	7.1
149.05936	1.1
150.03218	0.4
151.03922	3.6
151.07562	0.8
152.01071	1.4
152.06284	0.7
153.01816	0.8
153.05428	1.3
153.06973	0.8
156.05673	0.6
156.82195	0.4
157.06456	0.6
160.05208	0.6
161.05939	1.3
163.03891	3.3
164.04593	0.4
165.05489	1.4
165.06886	0.7
167.03413	8.1
168.05643	0.6
169.06488	1.2
170.02100	1.0
170.03525	0.5
171.08066	1.4
173.06030	0.8
174.06764	0.5
175.03908	5.1
176.04669	0.6
177.05565	0.9
178.06238	2.7
179.03380	0.9
181.06503	0.9
184.03676	0.8
184.05212	2.6
185.05983	1.6
188.08330	0.5
191.06987	0.7
193.04922	0.9
195.08047	0.7
196.05179	1.0
197.05988	3.3
198.06709	2.1
199.07573	2.5
201.05450	3.5
202.06239	1.0
203.07037	1.1
207.06500	0.4
208.05156	0.4
209.05927	0.4
211.03912	0.6
211.07541	1.2
212.04712	4.3
213.05481	3.5
215.03329	0.8
215.06989	3.6
216.04193	0.4
216.07809	1.0
217.04977	1.1
217.08493	0.6
222.06802	0.4
223.07565	1.3
225.05452	1.2
226.06165	2.5
227.07030	12.4
228.07855	1.2
229.04956	3.0
230.05719	1.1
231.06544	0.6
231.10078	0.5
237.05464	0.9
239.03404	0.5
240.04140	4.1
240.07875	0.7
241.04964	2.9
243.06500	3.6
244.03644	0.9
244.07359	2.5
245.04544	0.4
245.08170	0.5
253.04950	0.7
254.05807	2.3
255.06522	16.8
255.10330	0.9
256.07272	3.6
257.04346	3.1
259.09662	29.4
265.05005	0.5
265.08682	0.9
267.03003	0.5
268.03745	0.7
269.04526	0.7
269.07977	0.7
271.06107	2.4
272.06717	4.2
273.03946	1.1
273.07471	0.4
282.05231	2.4
283.06003	5.0
283.09720	2.6
284.06833	0.7
284.10413	0.5
285.03995	1.1
285.07071	0.4
286.08377	1.9
287.05649	1.7
287.09113	12.4
297.07761	0.6
297.11356	0.4
299.05481	1.4
300.02823	0.9
300.06271	15.3
315.08621	100.0
316.09048	0.7
336.21512	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
68.99789	0.4
70.86232	0.4
70.86575	0.5
110.48516	0.2
113.69215	0.2
123.00781	2.6
134.03625	2.0
138.03154	0.8
139.03859	0.3
139.05458	0.6
148.05135	0.3
152.01045	0.2
156.05664	0.3
161.05879	0.2
162.09946	0.3
166.02625	0.8
167.03416	6.1
167.04901	0.7
173.05927	0.5
175.03905	0.6
180.05579	0.3
184.03683	11.4
184.05182	1.4
185.06047	0.4
188.04704	0.4
188.08441	0.4
195.04430	0.9
199.07480	0.5
201.05435	1.8
211.03941	0.4
212.04666	2.8
213.05527	0.5
215.07043	0.6
216.07780	2.1
223.03893	0.3
226.06334	0.4
227.07047	2.5
228.04247	0.3
229.04912	2.2
239.03337	0.4
240.04176	3.8
243.06540	8.3
244.07301	4.3
254.05632	0.3
255.06494	5.4
257.04443	1.3
259.09653	1.9
267.02982	0.6
268.03674	2.1
271.05908	0.7
272.06763	1.9
283.06055	4.9
283.09167	0.3
284.03189	0.4
285.04007	0.6
287.09058	0.5
299.02429	0.2
299.05502	5.6
300.06277	32.7
301.06830	0.4
315.08615	100.0
316.08932	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
55.01864	0.7
55.05506	1.0
56.96553	1.9
60.04522	0.9
67.05492	1.5
68.99805	0.7
69.03419	0.5
69.07063	1.1
71.04977	0.6
71.59987	0.8
79.05513	1.1
80.23997	0.5
81.03413	0.6
81.07057	1.4
83.04984	1.1
91.05477	1.6
93.07056	1.2
95.05019	0.8
95.08610	1.6
97.02878	0.6
105.06998	1.3
107.08580	1.5
108.02109	4.3
109.06493	0.7
109.10171	0.9
116.98594	0.8
118.04140	1.4
119.04949	1.0
119.08635	1.2
119.75454	0.5
121.02836	0.7
121.10150	0.8
123.04388	0.5
126.69337	0.4
128.06314	0.5
131.08577	0.7
133.06490	0.9
133.10153	0.7
134.99689	1.0
137.05925	0.9
142.07828	0.6
144.05672	0.7
145.02831	0.5
145.10138	1.5
147.04320	0.7
148.05177	1.6
149.02364	0.9
152.06140	0.9
153.01828	2.2
155.46060	0.5
157.06432	0.6
157.10239	0.5
159.03227	0.7
160.32365	0.6
167.03397	0.7
169.06500	2.0
170.07266	0.9
178.02655	0.6
179.03395	0.5
181.06502	0.9
183.02904	1.2
184.03607	0.6
195.07993	0.6
197.05969	2.4
198.06723	1.3
201.05536	0.7
208.05261	0.7
213.05467	0.8
217.07492	0.8
225.05537	1.0
226.06242	14.0
227.07169	1.0
229.05043	0.5
229.07497	0.8
235.08589	1.0
241.05034	0.6
243.06435	1.6
244.03661	0.7
244.07423	0.6
253.05014	4.4
254.05727	26.2
255.06554	2.1
257.04462	1.8
259.09622	1.4
269.04642	0.6
269.08081	0.6
271.06030	4.3
272.06580	0.6
281.04330	2.5
282.05243	25.7
283.02957	0.5
283.05963	2.4
283.09637	2.0
284.06662	0.6
285.04022	2.3
287.09042	0.5
299.05478	7.0
300.06284	15.0
315.08606	100.0
315.19525	1.8
316.08948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
56.96574	0.3
57.03442	0.4
67.05505	0.6
69.42899	2.9
75.50720	0.3
79.05516	0.3
80.29244	0.4
80.99216	0.3
81.07034	0.6
91.05468	0.6
105.07058	0.6
107.08639	0.6
109.10146	0.4
116.98629	0.6
131.05016	0.5
133.06445	0.3
133.10078	0.3
134.07376	0.4
134.99683	0.4
151.30441	0.3
153.01819	0.3
155.53970	0.3
159.08009	0.3
161.05959	0.5
167.03471	1.0
171.04353	0.4
173.06076	0.3
184.05116	0.3
189.05566	0.3
201.05521	0.8
215.94080	0.3
229.04977	0.7
241.04929	2.6
243.06499	1.9
254.05823	0.4
255.06551	0.8
257.04514	2.3
269.04514	2.2
271.06058	1.3
272.06793	34.7
273.07086	0.5
283.06146	0.5
283.09821	0.5
285.03915	0.9
299.05447	0.8
300.06296	59.8
301.06625	0.9
315.08624	100.0
316.09094	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
69.29089	2.2
69.29505	1.6
83.02691	0.4
95.58265	0.3
105.59451	0.3
107.02783	0.4
123.46458	0.4
134.03621	4.4
135.04427	0.4
138.03133	2.8
144.89896	0.5
157.02838	0.5
161.02301	0.6
163.03925	1.4
166.02609	2.4
167.03407	13.1
175.03877	0.9
184.03691	2.7
184.05083	0.7
187.07561	0.5
188.08339	0.4
199.07590	1.0
201.05507	0.9
202.16643	0.4
212.04755	1.8
215.07002	1.5
216.07805	2.3
226.06219	0.4
227.06984	2.6
229.04936	0.5
240.04132	2.5
241.29047	0.4
243.06529	14.8
244.07298	3.9
255.06525	11.0
257.04446	0.5
259.09714	1.4
268.03726	0.9
271.06119	2.1
272.06821	1.3
283.06049	11.3
299.05460	2.8
300.06293	23.8
315.08627	100.0
316.08975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01885	0.3
55.05513	2.2
57.03428	0.5
57.07068	0.6
61.99166	0.2
65.03931	0.3
67.05180	0.4
67.05509	5.5
69.03423	0.6
69.07067	1.3
70.06586	0.4
71.04987	0.3
71.21244	0.5
79.05502	1.8
81.03413	0.4
81.07059	6.5
83.04974	0.5
83.08614	0.4
85.06565	0.4
91.05466	1.8
93.07043	2.2
94.04063	1.2
95.04974	1.5
95.08610	7.2
96.08957	0.2
97.06535	0.7
103.05479	0.3
105.07037	2.2
107.08602	1.2
109.06524	1.1
109.10157	3.0
111.08083	0.2
112.05070	0.3
119.03537	2.3
119.08600	1.5
121.10141	0.6
123.08071	1.0
123.11742	0.2
133.10123	0.9
134.99655	0.3
135.11743	0.2
136.06189	100.0
137.04581	2.4
137.05872	0.7
137.09627	0.4
147.04411	0.4
151.14821	1.3
153.01878	0.3
161.06021	0.3
161.13263	1.8
162.07755	0.6
166.07362	0.2
179.14322	5.1
180.55226	0.2
181.06409	0.4
184.05408	0.2
190.10912	0.4
190.54663	0.2
197.05986	0.3
198.06860	0.3
208.05103	0.4
211.07570	0.2
212.04729	0.3
215.03545	0.3
223.07811	0.4
226.06259	0.3
227.06830	0.3
229.04903	0.3
241.04886	0.3
243.06390	0.5
245.08081	0.3
254.05890	0.3
255.06577	0.3
256.07214	0.4
257.04413	0.6
261.30524	0.3
269.08301	0.4
271.06000	0.3
283.06134	0.4
283.09674	1.0
285.04031	0.3
286.20166	0.3
299.05255	0.8
300.06351	1.4
314.07727	1.5
314.19751	29.9
315.05212	0.3
315.08667	5.1
315.12103	0.5
315.20084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.05
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
51.68165	0.3
52.27501	0.3
55.05446	0.6
55.05693	0.3
60.04451	0.6
61.87644	0.3
64.66181	0.3
64.90776	0.3
67.05426	0.5
68.99706	1.5
69.03347	0.3
69.06991	0.5
70.22481	0.4
70.22826	1.3
78.92418	0.3
81.06953	1.0
83.04886	0.4
91.05371	0.9
93.06970	0.4
95.08527	0.6
98.21454	0.3
104.57853	0.3
105.06941	0.7
107.04866	0.5
107.08488	0.7
109.06404	0.4
109.10007	0.5
115.05380	0.7
119.08523	0.6
121.10084	0.4
123.04292	0.4
124.04611	0.3
131.01279	1.7
131.04860	0.4
131.08461	0.5
133.10010	0.3
137.02252	0.6
137.05872	0.4
145.10098	0.4
145.11317	0.3
147.04303	0.9
149.02301	0.7
153.01846	1.6
155.04865	0.8
158.71765	0.4
161.05888	0.7
165.06938	0.5
167.08459	0.4
169.06375	0.3
171.04314	0.8
173.02238	0.3
177.06888	0.4
181.06438	0.5
183.04402	0.8
183.32709	0.3
187.03871	0.6
188.04579	0.9
197.05914	0.7
198.06636	0.4
199.03798	1.2
200.04659	0.5
201.05498	0.4
202.02522	1.1
203.03427	0.4
203.07043	0.5
209.06004	0.3
212.04652	0.3
213.05359	0.6
215.03404	1.2
215.06985	0.4
216.04179	2.4
221.06232	0.3
223.07356	0.4
226.06277	0.4
227.03426	2.2
228.03923	0.7
229.04886	0.4
241.01300	0.4
243.02910	1.0
243.06564	0.3
244.03683	23.4
245.04150	0.5
247.02313	0.4
254.05707	1.0
255.00262	0.5
255.02898	9.2
255.06442	0.8
255.10291	0.6
256.03510	0.4
257.04431	0.6
259.06024	4.3
259.09592	0.9
271.02377	4.1
271.05673	0.5
272.03146	5.0
272.06189	0.5
273.03836	0.3
282.05322	0.5
283.02390	54.0
283.09399	1.5
284.02979	2.4
285.03995	0.9
287.05566	9.3
287.08841	0.9
299.05484	1.7
300.02692	19.6
300.06299	4.0
315.05038	100.0
315.08600	13.9
316.05377	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	1.6
56.96555	3.0
57.03422	3.8
60.05661	1.2
61.02907	3.5
66.62627	1.2
68.05015	1.4
69.03409	5.0
69.07056	2.6
70.06591	4.4
71.04990	13.7
72.08127	2.3
74.06062	1.7
81.03395	4.1
81.07052	1.9
83.04962	1.5
84.04485	2.1
84.08141	8.3
85.02898	20.3
89.06027	100.0
95.06062	3.7
96.29053	1.5
97.02881	10.9
98.09698	1.9
98.97586	2.2
99.04423	2.5
106.06563	1.3
107.04914	1.6
109.02873	2.7
110.06036	1.4
110.07157	1.6
111.04424	2.9
112.07586	1.2
116.98627	3.0
123.04441	1.6
124.07579	2.3
127.03888	4.6
134.09644	3.4
134.99626	1.3
135.04381	2.5
135.06526	29.4
136.06172	13.2
142.12270	1.8
145.04964	3.9
146.37651	1.4
151.08676	3.4
152.07066	25.1
152.09171	4.2
152.10696	4.2
163.03912	2.4
168.06508	1.7
211.14290	1.7
270.10861	1.6
270.21799	2.1
314.08966	3.2
314.12262	9.2
314.17490	2.0
315.07376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83354	0.3
55.01870	0.4
56.05024	0.3
56.96566	0.7
57.03426	0.6
61.01149	1.0
64.33865	0.3
68.05043	0.3
69.03436	2.2
69.57893	1.9
70.06598	1.8
72.08159	0.4
73.02918	0.3
74.06069	0.3
77.93941	0.2
84.04512	0.7
84.08156	0.8
85.02901	0.7
86.09703	0.4
86.99063	0.3
87.02685	0.3
89.06029	1.4
95.04985	0.3
95.06080	0.8
97.02896	45.2
98.09721	0.7
98.97601	0.6
102.05562	0.5
110.07168	0.4
113.02343	0.3
116.07115	0.4
116.98611	0.4
119.03549	0.9
123.04422	0.4
134.09692	0.3
134.99619	0.4
135.04442	0.6
135.05443	0.6
136.06192	100.0
137.04581	1.0
137.06587	0.5
139.03998	0.3
140.07030	0.3
142.12238	0.3
143.01668	2.5
148.06180	0.8
149.07108	0.3
152.05667	0.8
152.07057	1.2
152.10687	0.6
161.02663	1.3
162.07700	0.4
163.03876	1.0
164.05692	6.2
178.07266	3.3
179.03778	1.4
194.73729	0.3
199.10713	0.4
204.01871	0.4
245.43408	0.3
248.07692	0.4
250.09387	0.6
261.60150	0.3
278.07159	1.0
296.08066	2.5
314.09186	6.5
314.12323	0.7
315.03928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59018	0.8
55.05511	10.0
57.03438	24.6
57.07075	72.9
59.04971	1.3
60.08162	1.4
67.05505	13.6
69.07071	12.8
71.08632	43.8
74.25616	0.8
79.05473	1.0
81.07056	18.4
83.08618	12.9
85.10181	23.7
89.06023	4.2
92.48993	0.8
93.07033	1.6
95.08605	26.1
97.10171	8.9
99.11735	1.6
103.07549	2.3
109.10159	11.1
111.11716	1.5
117.09141	1.4
121.10182	1.0
123.11678	4.7
137.13239	1.6
153.52000	0.8
175.61891	0.8
239.23724	4.2
257.24860	5.4
275.25906	1.0
313.27371	100.0
313.36572	6.1
314.27759	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	314.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
56.05020	2.0
56.09669	0.4
56.96547	0.7
57.03445	2.3
57.07089	0.5
58.99566	1.1
62.24785	0.4
62.34488	0.5
67.05505	1.5
69.03424	1.3
69.07053	1.0
70.02943	1.5
70.06587	5.9
71.04987	0.5
71.59956	0.7
72.08143	1.5
74.00643	1.0
74.06061	0.7
79.05492	3.9
81.03416	1.1
81.07038	2.1
82.06576	0.7
83.08611	0.7
84.04486	1.6
84.08124	1.2
85.02902	0.7
86.06090	2.7
86.06507	0.7
86.09702	3.6
87.04464	3.2
88.03992	13.0
91.05480	2.5
92.96750	0.5
93.07032	2.9
94.06567	0.9
95.04959	1.8
95.08607	1.3
96.08125	0.6
97.06526	1.1
98.06026	1.2
98.97560	0.7
102.05524	1.0
105.07015	1.3
107.04968	1.1
107.08585	2.5
108.08085	0.8
109.01087	1.5
109.02883	0.6
109.06504	0.8
109.10152	1.0
110.06007	0.8
110.07146	0.6
112.07568	0.9
114.05514	0.6
115.05537	0.5
117.99625	0.9
119.04897	0.6
119.07273	0.7
119.08580	3.1
120.01147	1.0
120.08069	0.4
121.01084	19.6
121.02881	0.6
121.18136	0.4
122.01440	0.5
122.06046	0.5
123.08058	0.7
124.07587	1.1
128.07001	0.6
129.10234	0.7
130.08611	0.5
133.06424	0.6
134.09621	0.5
135.08070	0.6
136.06194	0.6
136.07518	0.5
136.11203	0.5
137.00533	3.0
137.05980	0.8
138.09105	0.7
140.07011	0.6
142.08650	0.6
143.05640	0.6
147.02631	0.6
147.07910	0.5
147.11703	0.6
149.00565	51.3
149.09613	0.8
150.00983	0.7
151.03944	1.1
152.04105	0.9
152.07057	1.6
152.10641	1.0
160.04292	0.7
161.06030	0.6
163.02119	1.1
163.03915	0.6
165.00043	11.9
165.05469	0.7
165.12738	0.6
166.00850	5.6
167.07060	1.2
174.05708	0.8
175.11154	0.9
179.07039	0.6
181.03204	1.5
183.00864	0.5
187.94229	0.5
188.03775	0.5
192.04691	0.6
192.99551	28.8
193.03305	1.0
193.08591	0.5
194.00323	32.0
198.11092	0.8
201.12291	0.9
207.04787	1.0
208.04303	1.1
209.02672	100.0
210.02954	1.3
210.14885	1.0
211.11586	0.5
223.04211	0.7
225.02112	4.9
225.05650	0.8
230.20297	0.5
250.05455	0.6
254.04852	0.6
270.04376	0.6
270.16971	0.7
278.17480	0.8
282.17136	1.0
296.05997	0.8
296.11481	2.2
296.18570	6.1
297.04303	1.4
314.07208	3.9
314.12424	3.9
314.19598	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48918	0.6
55.05511	8.8
57.03437	21.1
57.07077	59.5
67.05502	12.7
69.07066	10.6
69.51920	5.9
70.12266	0.7
71.08631	41.3
73.06551	1.2
75.04481	0.8
79.05490	1.3
81.07055	15.4
83.04957	0.8
83.08622	12.0
85.06530	0.7
85.10184	20.2
88.75493	0.7
89.06044	3.2
93.07032	1.8
95.08611	22.1
97.10173	7.9
99.11746	0.9
103.07568	2.0
109.09467	1.1
109.10162	11.6
111.11716	2.4
117.09158	1.2
121.10157	0.8
123.11707	3.9
123.63550	0.7
125.13317	0.9
137.13264	1.9
137.21738	0.6
151.14804	0.8
154.45987	0.7
191.96860	0.7
239.23630	5.5
257.24823	5.2
275.25922	0.7
279.82773	0.7
313.07278	0.8
313.27356	100.0
314.27695	2.0
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
55.05508	6.0
57.03439	19.1
57.07076	57.2
67.05174	0.8
67.05505	11.0
69.07071	9.1
69.37801	4.7
69.38216	1.4
71.08630	39.7
79.05468	0.8
81.07053	14.8
83.08616	12.7
85.10184	21.5
89.06026	2.9
95.08602	19.7
97.06519	0.7
97.10164	6.5
97.59344	0.7
98.21518	1.3
99.11720	1.5
101.45724	0.7
101.98590	0.7
103.07581	2.2
109.10148	10.0
117.09138	1.1
123.11720	4.7
125.13262	0.8
135.11571	0.7
137.13243	1.3
165.16391	0.7
182.66101	0.7
239.23619	4.6
249.87044	0.7
257.24713	6.1
257.44675	0.6
313.27362	100.0
314.27704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0706
Annotation	Acicerone
Peak:m/z	Relative Intensity
53.03941	0.4
53.20217	0.3
55.01841	0.4
55.05513	2.3
57.03427	0.4
57.07069	0.8
58.60997	0.4
65.03928	0.6
66.65098	0.3
67.05505	2.3
69.03419	0.5
69.07066	4.1
69.23160	0.4
69.61345	2.3
71.04968	0.4
71.08631	0.5
79.05474	0.8
81.03401	0.6
81.07051	4.4
83.08624	3.3
85.06518	0.6
88.44248	0.3
89.60806	0.3
91.05472	1.5
93.07036	1.2
95.04955	0.7
95.08600	2.8
97.06542	0.8
97.10181	0.3
99.08098	0.7
105.07023	0.9
107.04959	0.6
107.08581	0.9
109.10162	3.1
111.04442	0.4
111.08045	0.6
112.98444	0.4
115.05461	0.4
116.90838	0.3
119.04921	0.9
121.02970	0.4
121.10123	0.7
122.03593	0.3
123.11686	1.2
127.11150	0.6
129.06975	0.4
133.10127	0.6
134.03648	0.7
135.11687	0.7
137.06001	1.5
141.06900	0.5
144.05640	0.5
145.10037	0.4
146.04015	0.3
147.04419	3.6
149.13257	0.6
151.03893	3.1
151.07558	0.8
151.11163	0.5
153.05482	1.2
153.07053	0.4
155.04924	1.4
157.06461	0.9
160.05203	1.1
163.04062	0.4
168.05721	0.5
169.06384	0.4
171.04404	5.6
172.05212	1.7
173.05984	1.3
181.06512	0.5
183.04411	0.9
184.05188	1.0
185.05978	4.1
186.06718	1.1
187.03831	1.0
189.09160	0.4
189.16373	0.7
196.05238	0.7
197.05969	3.0
199.03900	2.6
200.04700	1.3
201.05539	1.6
209.06012	0.5
211.03897	31.4
213.05438	4.4
214.06313	1.7
224.04811	0.6
225.05424	0.8
227.03342	4.6
227.06836	0.4
228.04143	0.6
229.04762	0.4
237.05304	0.6
241.04951	30.9
242.05556	2.8
252.04233	0.5
252.07690	0.4
253.05022	0.8
253.08467	0.4
255.02823	2.0
255.06543	0.7
257.04468	0.4
257.08185	0.6
259.24014	0.4
269.04428	2.4
270.05222	26.5
277.25244	1.4
283.05899	1.9
285.07574	19.2
286.07666	0.4
295.05884	0.4
295.26392	1.5
298.04663	4.0
298.07898	0.5
313.07059	100.0
313.10370	4.1
314.07471	2.5
314.10626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0705
Annotation	Acicerone
Peak:m/z	Relative Intensity
55.01839	0.3
55.05500	0.8
56.09753	0.3
67.05490	1.3
69.03425	0.5
69.07064	2.0
71.04981	0.4
79.05495	0.9
81.03411	0.4
81.07046	1.8
83.04960	0.3
83.08612	0.3
85.02920	0.6
91.05465	1.1
93.07014	0.9
95.04967	0.8
95.08605	1.5
97.10127	0.3
101.07782	0.3
101.08562	0.4
105.07021	0.9
107.08595	0.9
109.10143	0.9
111.04427	0.3
119.08589	0.7
121.06507	0.3
121.10139	0.5
123.00806	0.3
123.04350	0.5
123.11746	0.6
128.06198	0.8
129.07019	0.4
131.08524	0.5
133.10107	0.4
134.99619	0.3
137.05983	1.0
139.03867	0.7
139.05418	1.0
141.07022	0.3
143.04918	0.5
143.08566	0.4
144.05704	1.4
145.06474	0.7
145.10089	0.6
146.03624	0.7
147.04454	0.6
147.11720	0.4
151.03885	1.4
151.07629	0.4
153.00606	0.4
155.04945	0.4
156.05699	0.7
157.10197	0.6
167.03569	0.4
167.04906	1.4
167.84474	0.3
168.05630	0.4
169.06416	0.4
171.04410	1.2
171.07994	0.6
171.11684	0.4
175.11232	0.3
184.05179	2.5
185.13310	0.4
188.04747	0.7
189.06148	0.4
195.04446	1.5
196.05135	0.5
197.05969	0.9
199.03818	0.4
199.07506	0.5
201.05475	0.4
210.06882	0.3
212.04678	7.9
213.05347	0.4
214.06175	0.6
223.03955	0.6
224.04646	0.4
225.05455	1.8
227.06996	2.8
229.21947	0.4
231.54993	0.3
240.04158	14.4
241.04808	1.1
242.05719	1.4
243.03294	0.3
252.04153	0.7
253.04919	0.5
255.06526	14.3
256.06757	0.6
257.08090	2.9
268.03674	8.9
269.04282	0.6
270.05191	2.7
271.05792	0.5
280.03513	0.4
283.02466	1.1
283.05975	11.0
284.06677	0.4
285.07553	1.1
285.10980	0.3
285.74625	0.4
297.04019	0.4
298.01874	0.3
298.04776	7.5
298.08182	0.6
313.07056	100.0
313.25433	1.1
314.07501	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0706
Annotation	(6aR,11aS)-(3,4:8,9)-Bis(methylenedioxy)pterocarpan
Peak:m/z	Relative Intensity
53.03699	0.4
53.03941	3.2
55.01876	0.3
55.05496	0.4
57.03445	0.3
57.07063	1.0
65.03937	2.7
67.05500	1.1
69.07071	0.5
69.89519	0.5
69.89914	0.8
71.08629	0.7
74.37295	0.2
79.01865	0.5
79.05488	0.6
81.03419	8.0
81.07044	1.3
83.08601	0.5
85.10168	0.3
88.54700	0.2
89.03925	1.4
91.05463	0.6
93.03403	0.5
93.07030	0.7
95.08604	1.6
97.10149	0.2
105.03393	0.5
105.07033	0.7
107.04967	1.0
107.08604	0.4
108.02071	0.4
109.10139	0.5
117.03367	1.1
117.07008	0.3
119.08581	0.5
121.02869	7.6
121.10133	0.4
128.06219	0.9
129.07019	0.9
133.10095	0.3
134.03615	0.8
134.64444	0.2
134.99677	0.2
135.04408	2.7
137.02327	2.1
139.03906	2.5
141.06949	0.4
143.08562	0.7
145.10109	0.3
149.02344	4.3
151.03914	0.2
152.06184	1.5
153.06995	5.0
157.06522	0.4
159.11679	0.4
161.02339	0.7
165.06966	0.6
167.03433	2.8
167.32439	0.2
168.05661	0.4
171.04396	0.5
171.08060	1.2
171.43909	0.2
181.06483	5.4
183.08022	0.3
184.05205	0.3
185.06013	0.5
186.06772	0.3
190.77684	0.3
196.05127	0.3
198.06761	0.4
199.07610	2.3
201.05638	0.2
201.16460	0.4
209.05977	4.7
211.07561	0.5
213.05440	0.9
227.07013	2.9
228.07451	0.2
229.08664	0.4
237.05457	7.8
238.06221	0.7
241.04997	0.6
242.05769	1.7
255.06528	3.1
265.05042	1.5
269.04514	0.4
270.05225	3.3
271.05945	0.4
283.06018	49.8
284.06409	1.3
285.07645	0.3
295.24222	0.5
297.04050	1.2
298.04721	3.0
302.04291	0.3
313.07056	100.0
313.27362	0.9
314.07401	2.7
327.05460	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	313.0705
Annotation	Ochrolide
Peak:m/z	Relative Intensity
55.01867	0.3
55.75498	0.1
67.05502	0.2
68.99776	0.3
70.85583	0.5
78.04333	0.2
78.04719	1.8
81.03420	0.2
81.07044	0.4
85.02927	0.2
91.05444	0.2
93.07040	0.2
95.04961	0.2
102.89785	0.2
105.03398	0.4
106.04172	2.3
107.08573	0.3
109.02843	0.2
109.10163	0.2
119.08551	0.2
129.07033	0.2
131.28841	0.2
133.02817	0.6
134.03636	6.1
136.35757	0.2
137.02402	0.4
141.01825	0.5
144.05684	0.2
147.04340	0.3
151.03874	0.4
158.07246	0.3
159.11610	0.2
159.40750	0.2
165.01848	2.2
167.03448	0.3
168.05661	0.3
169.06448	0.4
171.04402	0.3
172.05090	0.2
183.02896	1.6
185.05988	0.6
186.06754	0.7
187.03828	0.2
187.13097	0.2
195.11479	0.2
196.05263	0.2
197.06082	0.8
199.03885	0.3
213.05447	3.0
214.06218	2.2
225.05429	0.7
228.04051	0.3
229.04926	0.2
231.10916	0.2
241.04953	11.8
242.05721	3.5
243.02869	0.4
253.04948	0.9
269.04404	1.8
270.05219	8.7
271.05658	0.4
281.04407	0.5
282.10846	0.2
285.07529	0.3
297.03967	1.7
298.04715	56.3
299.05069	1.6
313.07047	100.0
314.07407	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0699
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
51.02363	0.0
51.40316	0.0
53.03735	0.0
53.03937	0.2
55.01867	0.2
55.05508	0.1
57.03437	0.2
60.34759	0.0
65.03937	1.1
67.01862	0.4
67.05479	0.1
68.99777	0.7
69.03410	0.1
69.32743	0.3
71.04967	0.0
76.35045	0.0
77.03912	0.1
78.44803	0.0
79.01849	0.1
81.03410	1.6
82.04211	0.0
83.01343	0.1
83.04971	0.1
83.43431	0.0
85.02895	1.0
90.05233	0.0
91.05472	0.5
93.03397	0.8
94.04207	0.1
95.01354	0.1
95.04963	0.3
95.51880	0.0
97.02895	0.1
99.04427	0.1
105.03381	0.3
107.01276	0.2
107.04934	0.1
109.02867	1.2
110.03638	0.2
111.00790	0.2
111.04429	0.3
118.04126	0.2
119.04932	2.1
119.44830	0.0
120.05759	0.1
120.08092	1.2
121.02854	7.0
122.03157	0.1
123.00734	0.1
123.04417	0.1
124.01560	0.2
125.02365	0.4
127.03889	0.2
131.04916	0.2
131.29614	0.0
133.02844	0.6
134.03645	0.0
135.00757	0.1
137.02379	0.0
138.02081	0.1
138.03102	0.6
139.03856	0.1
141.01796	0.1
141.05493	0.0
141.06924	0.1
145.02829	2.3
145.06451	0.1
147.04420	0.3
149.02324	3.6
150.02693	0.1
151.03848	0.2
152.01044	0.1
152.06291	0.1
153.01813	1.1
153.07007	0.1
155.08560	0.1
157.06447	0.1
163.02528	0.1
163.03888	0.8
165.01816	1.3
165.06985	0.3
166.02603	0.5
166.56166	0.0
167.03386	7.9
168.03784	0.1
169.06508	0.1
170.02095	0.2
171.02818	0.2
173.05975	0.1
175.03870	0.1
177.01817	2.2
181.06456	0.2
182.07286	0.1
183.02876	0.6
183.07988	0.4
184.03691	0.6
185.05966	0.1
186.06851	0.1
187.03867	0.3
195.02876	4.8
196.03232	0.1
197.05954	0.2
199.07545	0.2
200.08313	0.1
202.06241	0.3
203.06923	0.0
210.06703	0.2
211.03897	0.0
211.07521	0.6
213.03899	0.1
213.05566	0.3
215.07010	0.3
221.05914	0.2
225.05357	0.1
227.07042	0.6
228.07779	0.4
229.04941	2.2
230.05173	0.1
238.06279	0.2
239.06995	2.2
240.07474	0.1
241.04875	0.1
241.08615	0.2
242.05693	1.1
243.06291	0.1
247.06017	0.3
249.05447	0.1
253.04930	0.2
255.06496	1.9
256.07272	2.4
257.07843	0.2
266.05728	0.2
267.06494	13.7
268.06912	0.5
269.04401	0.8
269.07990	0.2
270.05197	4.5
271.05820	0.2
283.05984	11.6
284.06750	16.5
285.07434	1.7
295.05981	8.8
296.06250	0.2
298.04617	0.1
312.06491	0.1
313.07013	100.0
314.07379	2.6
316.05496	0.0
326.38242	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01857	2.2
55.05510	45.2
56.96543	3.0
57.03424	3.2
57.07079	13.5
59.04990	3.4
61.02924	3.1
67.05505	32.4
69.03433	17.2
69.07068	74.3
69.38586	16.4
71.04986	3.8
71.08613	7.2
73.06552	1.8
79.05494	29.4
81.03411	4.0
81.07055	100.0
83.04967	4.2
83.08145	2.6
83.08618	40.1
85.02883	1.9
85.06542	18.2
85.10168	2.3
91.05487	21.6
93.07043	79.5
93.07632	3.9
94.07346	2.6
95.04953	7.1
95.08605	90.4
97.02890	3.8
97.06528	7.7
97.10168	33.6
97.62897	1.5
99.08087	9.2
105.07043	15.4
107.04961	4.0
107.08594	41.8
109.06512	6.2
109.10153	51.7
111.04395	1.6
111.08102	8.6
111.11716	15.8
119.08575	5.4
121.06488	6.5
121.10147	59.0
122.10463	3.5
123.08041	2.8
123.11701	27.1
125.09622	3.8
125.13242	6.4
127.03886	4.9
127.07559	1.9
131.08543	7.8
133.10107	2.2
135.11679	10.9
137.05974	11.6
137.13261	11.3
139.11214	2.2
145.10075	2.3
147.11678	3.8
149.09618	27.9
149.13251	25.3
151.14816	13.1
153.12744	6.1
159.08063	2.0
159.11671	2.8
161.05974	1.8
163.14795	7.0
165.16386	5.8
167.14317	4.8
169.15944	1.7
177.16350	3.2
179.17896	4.1
184.17000	4.8
187.07556	2.2
190.07730	2.4
191.08534	4.6
191.17947	2.1
209.19084	2.2
219.08070	7.2
219.21037	2.0
247.07361	2.1
247.24422	2.3
249.25720	1.6
251.10654	5.8
253.08453	1.9
265.25229	3.0
266.21127	7.6
275.19934	2.0
275.23859	2.3
275.27301	5.7
279.10089	8.1
283.05832	1.8
293.24734	7.1
293.28339	6.5
294.20703	12.3
311.05484	4.0
311.09192	5.1
311.12799	12.0
311.20245	3.1
311.25839	4.8
311.29309	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	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.7
53.84005	1.8
55.01867	5.3
55.05515	44.8
56.96566	3.2
57.03437	5.3
57.06870	1.7
57.07079	17.4
59.05006	3.7
67.05506	58.8
69.03436	4.3
69.07069	94.4
69.92374	8.5
71.04993	6.3
71.08632	28.6
74.42881	1.9
79.05493	27.6
81.03419	4.5
81.07056	91.1
83.04998	10.4
83.08619	40.2
85.02910	3.8
85.06541	20.6
85.10197	3.9
86.25900	1.7
91.05499	14.9
93.07053	33.5
95.04990	9.5
95.08608	100.0
97.06532	14.9
97.10172	21.6
98.21545	2.2
99.08094	25.4
105.07034	12.0
107.04931	2.5
107.08591	27.4
109.06535	4.6
109.10156	66.4
109.73055	1.9
111.08106	9.8
111.11716	19.7
117.07038	3.5
119.08579	10.0
121.06490	3.2
121.10151	21.8
123.08123	3.3
123.11723	27.5
125.09663	6.8
125.13282	5.9
127.11215	2.7
131.04907	2.1
131.08594	7.0
133.10143	5.4
135.08096	3.0
135.11723	14.1
137.06001	5.5
137.09636	4.2
137.13245	11.3
139.11166	20.4
145.10086	3.7
146.57661	1.9
147.11720	2.3
149.09642	5.7
149.13295	15.1
151.11147	11.2
151.14792	10.3
155.10664	6.4
157.10184	2.5
159.08052	3.1
159.11710	5.3
161.09567	3.1
163.11145	2.4
163.14833	8.3
165.16385	4.8
167.14377	2.9
169.10124	3.1
173.11755	7.6
173.13100	2.3
177.12784	5.8
177.16357	2.9
179.10666	3.1
179.17987	2.4
193.19542	3.7
197.06012	2.2
204.73897	2.1
210.64861	1.9
213.05560	3.0
219.08060	2.8
240.54149	1.8
251.10701	2.8
269.04413	2.2
275.20026	12.0
275.27426	3.5
279.10071	4.7
293.21124	31.3
293.28320	11.1
294.21521	2.3
311.05563	3.4
311.09344	2.7
311.12781	10.2
311.19427	2.8
311.22705	3.5
311.29480	42.3
312.29993	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03921	0.9
55.01859	2.4
55.05512	51.4
57.03152	0.8
57.03437	21.5
57.07076	26.0
58.38084	0.7
67.05229	0.7
67.05508	8.3
69.03448	0.9
69.07069	60.2
71.08633	17.1
71.12794	1.1
73.02911	1.2
75.04491	1.0
76.33740	0.7
79.05489	5.7
80.52721	0.7
81.07062	11.1
83.04972	2.1
83.08621	55.7
85.06530	0.8
85.10177	6.8
91.05468	1.0
93.07054	6.3
95.04878	1.0
95.08604	7.4
97.06542	4.7
97.10172	35.6
101.05990	0.8
102.83192	0.7
106.94532	0.7
107.08610	4.6
109.10152	3.2
111.08075	1.9
111.11731	11.6
121.10138	6.3
123.11730	0.9
125.09617	1.3
125.13261	2.4
135.11713	4.7
137.13216	1.4
139.11180	1.7
147.17258	0.7
149.13217	2.6
153.12749	1.4
163.14857	2.0
205.62933	0.8
219.21068	2.0
237.11287	1.0
291.06012	0.7
311.25812	100.0
312.26083	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03925	1.0
54.86843	0.8
55.01890	1.0
55.05513	47.6
57.03158	0.9
57.03441	21.9
57.07077	25.2
57.52009	0.7
67.05506	9.6
69.07070	61.8
71.08629	17.0
79.05494	4.7
80.11777	0.9
81.07050	11.2
83.04993	1.4
83.08622	50.7
83.48784	0.7
83.68708	0.8
85.10187	6.5
91.05447	1.1
93.07040	5.7
95.08600	9.7
96.38287	0.8
97.06535	6.6
97.10171	37.4
107.08572	5.3
109.10144	3.4
111.08076	3.6
111.11712	9.3
115.07635	0.9
121.10136	8.2
123.11729	1.7
125.09637	2.8
125.13266	2.3
135.04422	8.0
135.05363	1.3
135.11703	5.7
135.14890	0.9
137.13264	2.0
139.11174	1.9
146.07259	0.9
149.13240	2.8
149.74699	0.7
153.05565	0.9
153.12860	1.1
161.09624	12.7
195.17578	0.8
209.11765	2.6
219.21115	2.5
237.11215	2.8
237.22128	1.5
287.53842	0.9
311.16449	8.5
311.25818	100.0
312.26108	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03948	1.9
53.17646	1.0
53.43252	0.8
55.01874	1.3
55.05511	61.1
57.03439	25.2
57.07076	29.6
63.17816	0.9
67.05499	11.0
69.07068	69.3
70.31663	4.1
71.04985	1.1
71.08632	16.9
77.76045	0.9
79.05507	6.2
81.07050	12.7
83.05001	2.2
83.08619	58.5
83.19489	0.8
85.10188	9.0
93.07050	8.3
95.08617	9.9
97.06535	5.3
97.10172	39.7
107.08592	4.5
109.10161	3.7
111.08103	2.4
111.11713	11.4
115.07592	0.8
121.10146	8.4
123.11723	2.5
125.09641	3.3
125.13275	3.2
135.11697	5.4
139.42668	1.0
149.13281	3.3
153.12793	1.1
163.14885	1.4
207.33592	0.9
209.11800	3.0
219.21101	1.3
237.11183	2.3
237.22231	1.1
311.25815	100.0
312.26123	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	311.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.8
55.05521	17.2
56.96564	4.4
57.03432	9.5
57.07074	52.2
61.85435	3.0
64.43967	3.3
67.05504	30.2
69.07077	31.2
69.80566	8.0
69.80988	17.0
70.06584	9.0
71.04997	7.2
71.08623	10.9
76.98753	3.3
79.05495	23.3
81.07060	37.8
83.04971	14.3
83.08608	10.4
85.06567	4.0
88.07612	9.1
91.05485	23.6
93.07041	20.8
95.04970	8.3
95.08614	22.0
97.06509	11.4
99.41790	3.2
102.09166	4.0
105.07024	15.3
107.08601	20.2
109.02869	3.7
109.06530	8.5
109.10146	17.0
111.04450	27.7
111.08054	8.4
117.07034	7.0
119.08580	12.1
121.06490	6.4
121.10132	15.0
123.08080	5.1
123.11710	5.2
125.05972	7.6
129.06995	4.4
131.08556	9.5
133.10127	14.6
135.04388	3.3
135.11700	11.6
137.09595	6.8
139.11168	7.7
143.08528	5.7
145.10094	14.0
147.11653	5.3
149.02345	21.3
149.09639	7.8
153.05420	18.4
155.08553	4.0
159.11638	5.9
163.11134	7.6
171.11722	5.1
181.04903	6.0
181.12259	11.2
191.08884	2.8
191.10686	14.5
193.04988	44.6
196.62582	16.8
200.20079	4.2
206.25821	3.6
209.11726	100.0
209.13651	6.6
224.65608	11.8
225.56644	3.3
237.11200	80.5
237.68314	3.4
251.10707	3.4
255.12238	18.5
256.26233	5.2
275.20114	26.1
280.11768	4.6
283.05920	4.0
293.17624	7.6
293.21082	15.0
311.05649	8.6
311.24631	74.6
311.74750	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	311.2214
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01870	4.8
55.05521	17.2
56.96564	4.4
57.03432	9.5
57.07074	52.2
61.85435	3.0
64.43967	3.3
67.05504	30.2
69.07077	31.2
69.80566	8.0
69.80988	17.0
70.06584	9.0
71.04997	7.2
71.08623	10.9
76.98753	3.3
79.05495	23.3
81.07060	37.8
83.04971	14.3
83.08608	10.4
85.06567	4.0
88.07612	9.1
91.05485	23.6
93.07041	20.8
95.04970	8.3
95.08614	22.0
97.06509	11.4
99.41790	3.2
102.09166	4.0
105.07024	15.3
107.08601	20.2
109.02869	3.7
109.06530	8.5
109.10146	17.0
111.04450	27.7
111.08054	8.4
117.07034	7.0
119.08580	12.1
121.06490	6.4
121.10132	15.0
123.08080	5.1
123.11710	5.2
125.05972	7.6
129.06995	4.4
131.08556	9.5
133.10127	14.6
135.04388	3.3
135.11700	11.6
137.09595	6.8
139.11168	7.7
143.08528	5.7
145.10094	14.0
147.11653	5.3
149.02345	21.3
149.09639	7.8
153.05420	18.4
155.08553	4.0
159.11638	5.9
163.11134	7.6
171.11722	5.1
181.04903	6.0
181.12259	11.2
191.08884	2.8
191.10686	14.5
193.04988	44.6
196.62582	16.8
200.20079	4.2
206.25821	3.6
209.11726	100.0
209.13651	6.6
224.65608	11.8
225.56644	3.3
237.11200	80.5
237.68314	3.4
251.10707	3.4
255.12238	18.5
256.26233	5.2
275.20114	26.1
280.11768	4.6
283.05920	4.0
293.17624	7.6
293.21082	15.0
311.05649	8.6
311.24631	74.6
311.74750	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	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03937	3.5
55.01869	18.1
55.05511	57.7
56.21765	1.9
57.03425	7.2
57.07076	27.7
57.40477	1.7
59.05026	2.0
65.03928	3.1
67.05505	33.0
69.03426	3.8
69.07067	20.8
69.81395	3.6
69.81803	8.9
71.01357	2.1
71.04973	7.9
78.22008	1.8
79.05062	2.8
79.05490	40.2
79.74938	1.9
81.03431	8.5
81.07051	33.7
83.04980	37.6
83.08618	38.7
85.02900	8.9
85.06525	4.3
91.05472	18.8
91.59057	1.7
93.07043	40.8
95.04967	79.1
95.08604	26.5
97.06528	7.3
97.10167	25.8
99.04454	9.9
99.08082	2.6
105.07031	26.7
107.04955	12.2
107.08597	43.2
109.02853	3.3
109.06519	10.0
109.10156	14.4
111.04438	62.0
111.08060	14.6
112.23852	2.0
117.07003	7.2
119.08575	20.8
121.06492	5.8
121.10136	24.9
123.08082	6.2
123.11723	3.4
125.06015	8.6
125.09628	29.0
129.07005	2.4
131.08566	16.2
132.98758	1.8
133.10106	14.4
135.04362	3.9
135.08051	9.5
135.11688	14.4
137.09596	2.0
139.11151	3.5
143.08617	2.6
143.10663	2.9
145.10107	25.3
147.08025	5.6
147.11693	11.7
149.09610	46.4
150.09854	1.9
151.11102	3.4
153.05458	17.3
153.09117	4.6
153.12726	7.6
157.10187	4.1
159.11743	9.1
161.09566	3.1
163.11179	38.4
165.12793	2.1
169.10095	2.7
170.48639	1.7
171.11667	2.9
173.09491	1.9
173.11807	2.8
173.13263	3.9
174.52530	1.8
177.09053	2.1
181.04947	3.8
181.12210	22.1
183.11658	1.8
187.00694	1.8
187.11230	2.9
187.14799	1.8
189.11212	32.5
191.10640	19.2
193.12363	2.8
205.12248	5.7
209.11717	92.4
210.12090	3.9
211.13234	3.0
223.13287	99.8
224.13475	3.5
227.12776	5.9
229.19498	2.3
237.11205	79.6
237.14845	4.0
238.11563	3.3
239.17970	3.5
247.20622	3.9
255.12209	12.4
257.18964	12.4
275.20056	100.0
293.17856	4.6
293.21075	98.2
294.21521	4.6
311.05533	3.5
311.18866	2.9
311.22153	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	311.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
55.29347	0.9
56.96563	3.3
57.07081	1.4
67.05501	2.1
69.03434	2.3
69.07064	2.3
70.06577	2.1
71.58993	1.3
73.02917	1.2
76.09562	1.1
79.05489	2.2
81.03410	1.2
81.07068	2.9
84.04507	1.1
84.08145	2.9
85.02888	2.6
86.09711	1.1
91.05485	4.4
93.07066	3.2
94.06584	2.1
95.04971	3.7
95.08624	1.5
96.04488	1.3
96.08070	1.5
97.02912	1.1
98.06081	1.3
98.97599	2.1
105.07010	1.2
106.06570	1.7
107.04974	2.9
108.08070	1.9
110.06041	9.8
112.07584	2.4
116.07092	1.3
116.37444	0.9
116.98605	2.1
117.03428	1.7
119.04939	1.7
122.06007	2.7
123.04434	1.9
124.07601	15.3
126.05541	3.1
134.06068	2.8
134.99637	1.9
135.04373	2.3
136.07584	100.0
137.06010	2.1
137.07918	1.3
138.05511	1.6
140.07080	15.0
142.08649	11.8
145.02855	1.1
147.04422	1.6
148.03824	1.1
152.07057	5.5
154.05029	1.7
154.08638	80.1
155.08958	1.4
156.10158	1.4
163.03912	10.9
167.06995	1.1
170.08138	3.4
203.35791	1.1
208.09587	1.9
227.59689	1.3
239.23668	1.2
257.12949	2.3
259.76282	1.0
275.06470	1.0
275.13904	5.9
293.14880	8.3
311.06274	3.1
311.12357	3.4
311.16049	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	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
52.29621	1.0
55.01871	3.1
55.05513	12.8
57.07081	5.1
67.05505	8.6
69.03439	1.9
69.07061	5.2
69.49624	7.5
69.50036	1.4
71.08634	8.7
79.05502	7.0
79.05885	1.5
81.03456	1.7
81.07054	10.1
81.20650	1.0
83.04999	2.2
83.08626	7.4
85.06566	1.3
86.05339	1.0
91.05476	4.9
93.07045	5.2
95.04984	3.2
95.08600	4.6
97.06542	1.8
97.10172	10.6
99.08085	5.2
105.05752	1.0
105.07026	3.2
107.04963	2.9
107.08616	5.8
109.06514	3.1
109.10191	2.5
111.04426	4.7
117.07030	1.2
119.08584	2.5
121.06525	5.8
121.10119	3.1
123.08044	2.0
123.11723	1.6
125.05997	1.1
125.09630	7.1
131.08574	1.5
133.10136	2.5
135.08014	2.0
135.11710	2.5
145.10052	1.9
147.11717	1.2
149.05936	1.3
149.09619	1.5
149.13255	1.3
153.05519	3.1
169.46146	1.3
177.12801	2.4
177.16342	1.0
181.12265	2.1
189.11214	4.0
191.10674	3.5
202.13573	1.1
209.11710	18.6
237.11186	19.1
247.20609	1.5
255.12257	3.2
257.18927	1.2
275.20102	5.9
283.05887	1.8
293.21115	100.0
294.21478	4.4
317.82590	1.0
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	Porphine
Peak:m/z	Relative Intensity
53.03955	1.2
55.99455	0.8
57.21452	0.9
67.05491	1.2
69.19766	0.9
71.34393	1.6
79.05495	3.4
81.07049	4.1
88.63087	0.9
89.03920	2.6
91.05483	5.2
93.07082	1.5
94.04195	5.3
95.04960	1.4
95.08607	1.2
97.06559	1.0
102.03754	1.0
103.05452	2.8
103.33733	0.9
105.07034	7.3
107.04979	3.0
107.08578	1.4
109.06521	4.6
115.05416	3.1
116.06236	1.4
117.03387	1.7
121.06504	1.2
121.10162	1.3
122.03661	11.8
124.11200	1.3
128.06218	2.7
129.06982	3.6
131.04933	3.0
131.06381	1.4
131.08517	1.6
132.05685	1.1
133.06525	6.9
135.04416	4.1
137.05981	100.0
138.06328	1.5
144.05698	3.4
145.06474	3.4
149.06071	5.5
149.07422	6.8
151.07553	1.8
151.94603	0.9
155.04942	7.2
159.08064	8.9
161.05975	12.8
163.03911	15.0
163.07474	1.5
165.06999	4.8
166.07774	1.0
172.05232	3.1
175.07584	2.9
179.08553	1.9
180.09192	2.3
187.07547	31.0
189.06924	9.4
190.07777	27.7
191.08562	53.9
192.08969	2.0
194.07303	1.7
201.07050	2.2
202.07718	2.0
203.08546	1.9
205.06497	3.2
207.08058	8.1
208.08810	6.9
217.06538	2.1
218.07289	16.8
219.08055	74.2
220.08731	8.8
221.06039	4.2
222.06923	1.3
223.11096	1.8
224.08212	1.2
225.09084	2.4
231.08026	1.6
233.09637	2.4
234.06744	1.3
235.07536	10.7
236.08324	16.4
237.05569	1.5
237.09071	3.6
246.06767	2.0
247.07530	26.9
248.08116	5.1
249.05562	2.4
249.09064	2.3
250.09886	1.8
251.10675	87.6
252.11038	3.5
253.08606	10.2
254.08839	1.2
261.09122	4.2
262.09604	1.1
263.06961	2.7
264.07785	11.0
265.08609	7.7
266.09100	1.6
268.11050	2.3
278.09250	1.5
279.10168	71.2
280.10785	6.9
281.08093	11.5
283.10016	1.2
283.13202	1.9
295.09677	1.7
296.10403	12.8
309.33560	1.0
311.12793	85.3
312.13165	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0551
Annotation	Maxima isoflavone A
Peak:m/z	Relative Intensity
55.01865	0.8
55.05520	1.4
57.03437	0.5
57.07081	0.3
63.11040	0.3
65.03936	0.4
67.05512	1.6
69.03425	0.9
69.07072	2.2
70.07400	0.3
71.04987	0.6
72.08157	0.4
79.05499	1.9
80.21493	0.3
81.03414	1.1
81.07067	3.3
81.11443	0.3
82.07359	0.4
83.08608	0.5
85.06538	0.4
89.03933	0.9
91.05490	1.8
93.07053	2.6
94.04225	0.4
94.07404	0.3
95.04946	0.8
95.08608	2.6
96.08918	0.5
97.06544	0.5
97.10183	0.4
105.03402	1.4
105.07027	1.6
107.04970	1.4
107.08609	2.1
109.02894	0.6
109.06488	0.7
109.10168	1.5
111.52654	0.3
115.05469	0.4
117.03387	0.5
119.08566	0.9
121.02893	1.5
121.06474	0.7
121.10152	2.3
122.03635	0.8
123.04502	0.4
123.11697	1.0
125.09643	0.4
128.06247	0.4
129.07022	0.6
131.04922	0.4
131.08586	0.3
133.02888	0.6
133.06531	0.6
133.10124	0.4
135.00716	0.7
135.04393	1.4
135.11697	0.4
137.02299	0.4
137.05981	6.8
137.13278	0.7
141.07008	0.3
143.08589	0.6
145.02867	0.8
145.10114	0.4
147.00832	0.3
147.04404	1.4
147.11700	0.3
149.02359	2.1
149.06007	0.6
149.09589	0.7
149.13333	0.4
152.06221	1.0
153.06993	3.3
157.06473	0.5
159.08023	0.6
159.11743	0.4
161.02422	1.5
161.05984	1.1
163.03833	0.3
165.01898	0.3
165.07005	1.6
166.84554	0.3
167.03406	1.2
169.06425	0.3
171.08069	0.7
173.02359	2.9
175.07591	0.3
176.01060	0.6
177.01848	13.1
178.02150	0.4
179.08536	0.3
181.04912	0.2
181.06485	7.1
181.08145	0.4
182.06848	0.3
185.06065	0.3
187.03940	1.0
187.07556	2.2
189.01884	0.5
189.07130	0.5
189.09105	0.3
190.07794	1.2
191.08586	3.7
193.06528	0.4
194.02118	0.8
199.07578	1.2
202.02388	0.3
202.53984	0.3
203.03435	0.4
205.06500	0.5
207.08096	0.6
208.08965	0.5
209.05972	4.9
213.05505	0.6
215.03336	1.4
218.07289	1.3
219.08089	4.8
220.08681	0.5
221.06046	2.5
227.06993	2.8
235.07622	0.5
236.08325	1.1
237.05472	8.3
237.09050	0.5
238.05800	0.3
240.04099	0.9
241.05038	1.6
247.07460	1.6
251.07100	0.5
251.07941	0.5
251.10657	4.5
255.06529	7.3
256.06879	0.4
264.07782	0.8
265.04980	20.5
266.05374	0.8
267.21283	0.3
279.06909	0.7
279.10193	5.2
280.10791	0.5
281.07993	0.7
283.06067	5.0
293.04480	8.5
293.07663	0.5
294.04941	0.5
296.10422	0.8
311.05518	100.0
311.12698	6.0
311.23889	0.9
312.05829	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	310.2528
Annotation	Holaromine
Peak:m/z	Relative Intensity
52.92514	0.5
53.03926	0.9
55.05506	2.8
56.96556	0.7
57.07061	1.5
60.51132	0.5
60.62196	0.4
62.43512	0.4
64.29937	0.5
67.05505	4.0
69.03446	0.5
69.07062	2.8
70.06599	7.0
70.73151	0.7
70.73536	0.9
71.29718	0.5
79.05500	6.7
81.07051	5.4
83.04981	0.7
83.07369	1.4
83.08617	0.7
84.08122	1.0
86.20748	0.5
91.05480	5.3
93.05715	0.5
93.07045	7.2
95.04969	1.5
95.08611	2.9
96.08126	2.8
105.07042	8.4
107.08620	4.0
108.08092	1.3
109.06524	0.6
109.08938	0.6
109.10140	0.7
111.04424	0.7
115.05484	0.5
117.07016	2.7
118.06570	0.8
119.08588	5.5
120.08118	1.5
121.10162	0.9
122.09676	7.5
124.11251	0.6
128.06206	1.5
129.07011	7.5
130.07848	0.7
131.08575	8.1
133.10112	2.7
134.09663	0.5
135.11688	0.8
136.11201	1.4
137.11984	1.8
141.06981	1.0
142.07797	1.4
143.08575	5.4
144.09421	1.1
145.09038	0.8
145.10132	4.5
146.09636	2.5
147.11652	1.2
148.11232	1.3
149.13313	0.6
150.12808	1.4
153.05453	0.6
153.12912	0.5
154.40628	0.5
155.08533	0.7
156.09361	0.7
157.09041	0.6
157.10141	4.4
158.09578	0.6
158.10826	0.8
159.11711	1.7
160.11217	1.8
161.13260	1.7
162.12744	1.5
169.10062	1.1
170.09616	1.0
171.11732	2.2
172.11197	1.3
172.12506	0.8
173.13286	5.7
174.12787	4.8
183.10342	0.7
183.11778	0.7
184.11221	1.1
185.13269	1.3
186.12794	8.9
188.14406	1.4
196.11122	0.9
197.12080	0.7
198.12787	2.2
199.14835	1.6
200.14366	1.3
209.11783	2.5
210.12793	0.9
211.13522	0.6
212.14355	3.8
214.15979	0.9
224.14323	2.3
226.15883	4.0
227.18077	0.9
228.17528	2.0
237.11235	2.3
238.15858	2.4
240.17392	5.0
241.18294	1.8
252.17404	3.3
254.18974	2.8
255.19833	0.9
266.19043	2.2
275.20132	0.7
280.20557	3.4
281.21338	1.1
292.22787	0.9
308.23657	0.9
310.25290	100.0
311.25500	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
55.05485	2.3
56.05007	0.5
56.96549	0.6
57.03426	1.1
57.07053	0.8
66.42957	0.5
67.05495	3.3
68.05006	0.7
69.03404	1.7
69.07069	8.1
70.06566	0.9
70.07386	0.7
70.38530	1.4
70.38949	1.1
72.08154	2.7
73.06533	1.9
75.35021	0.5
76.79603	0.5
79.05495	3.4
80.04967	0.6
81.03397	1.0
81.07059	5.2
82.06576	0.5
82.07339	1.1
83.04947	0.7
83.08601	0.9
84.08137	0.9
85.02883	0.9
86.09685	2.0
91.05474	4.1
93.07049	5.8
95.04951	0.7
95.08600	5.1
96.08083	0.7
97.02858	0.8
97.06512	1.1
98.06022	0.7
98.09652	1.6
98.20724	0.7
105.07008	1.4
107.08599	4.1
108.08125	10.9
108.08881	1.2
109.06516	0.6
109.08873	0.7
109.10127	2.1
110.09654	2.3
110.10377	0.5
115.07567	0.6
116.10646	0.5
116.98564	0.5
119.04924	2.0
119.08572	0.9
120.05251	1.1
121.10123	2.3
122.08848	0.8
122.09674	7.9
122.10497	0.7
123.10447	1.4
123.11719	1.1
124.07619	0.6
124.11189	0.7
127.03873	0.8
131.08514	1.2
133.10112	1.2
135.08057	0.6
135.11685	2.7
136.11221	3.3
137.05960	3.4
137.13240	1.1
147.04424	7.0
148.04735	7.7
149.09625	1.3
150.12772	17.1
151.13568	6.3
152.14333	5.2
153.12758	0.6
161.05951	0.6
164.14308	1.2
166.15932	2.7
175.03925	1.6
179.14326	0.7
187.07507	1.1
191.08533	1.1
192.17453	1.9
194.11810	0.8
207.06436	1.3
210.14905	2.4
212.16428	2.9
219.08023	1.4
220.20638	2.3
235.07451	1.1
236.08484	0.6
236.16483	2.0
238.21640	1.1
247.07501	1.0
251.10648	2.5
264.19629	1.2
266.21149	100.0
267.21387	1.4
268.22711	4.7
278.09091	1.2
279.10092	1.5
279.13507	0.5
281.07925	0.7
295.09634	0.8
310.11545	2.1
310.23758	63.3
311.05878	3.2
311.09174	1.8
311.12793	2.6
311.24039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1471
Annotation	SB 218655
Peak:m/z	Relative Intensity
53.03931	1.6
55.05522	6.2
56.05020	1.3
56.96563	1.3
58.99582	2.9
67.05492	1.4
69.03420	2.3
69.07066	1.9
70.02947	2.6
70.06587	2.4
72.08132	1.4
78.01810	2.0
79.05498	3.1
81.07050	3.5
83.04985	10.4
84.04509	1.9
84.08148	2.1
85.02915	1.6
86.09702	3.1
86.60242	0.8
86.99055	1.5
88.03995	38.4
91.05487	6.3
93.07037	3.2
95.08617	1.3
96.04488	0.9
97.01147	1.6
97.02866	1.1
98.97564	1.2
99.04485	1.4
100.02212	1.0
101.10868	0.9
105.07030	26.0
107.04998	1.5
107.08601	10.8
108.08116	2.6
110.06110	0.9
110.09700	1.3
111.02690	3.7
116.98667	1.0
117.03387	4.3
117.06989	1.8
118.76176	0.8
119.04971	2.2
119.08584	14.4
119.09381	1.6
120.01141	1.4
120.05268	1.2
120.08079	1.2
121.02851	1.2
121.10154	3.8
122.02677	1.4
122.09669	2.4
123.02635	1.0
123.08073	1.7
124.07590	2.1
125.04209	5.7
126.03786	1.3
129.07019	1.0
131.08582	2.6
133.06470	4.4
133.10109	5.0
135.04404	1.5
135.08080	1.0
137.02493	1.2
137.04201	31.7
137.05933	1.9
138.09143	1.1
139.05769	21.0
140.05316	2.7
141.01797	1.5
143.05602	1.2
145.02838	7.1
145.10103	5.2
147.04399	5.6
147.08055	1.7
147.11694	19.8
148.03702	1.4
148.04742	6.8
149.05988	2.2
149.09589	1.0
150.09143	1.5
151.05775	2.2
159.11696	11.0
161.09636	3.9
161.13275	12.4
163.03864	1.6
163.05821	2.9
165.03802	1.1
165.07343	2.6
166.06882	4.3
166.08595	1.5
166.81535	1.1
167.05260	2.6
167.06992	1.1
170.08177	0.9
171.11679	2.6
172.04254	3.7
173.09645	1.5
174.10446	2.4
175.11169	1.4
177.05464	12.3
178.05836	1.6
179.08902	6.5
180.08380	1.9
181.10490	11.5
187.11183	6.7
188.11919	1.3
189.12749	22.1
191.08798	0.9
191.14360	6.1
193.10458	5.3
197.09210	1.0
205.10469	2.0
205.14571	4.1
206.15471	1.1
207.06543	1.1
208.07935	2.8
209.06293	2.9
212.07422	11.5
221.09955	14.9
223.11534	34.5
224.11873	1.7
226.08965	8.8
228.10458	1.1
235.07896	1.3
247.11545	1.0
251.10912	2.4
252.10498	3.9
254.08345	1.1
264.14105	2.5
279.10208	1.2
292.13821	1.5
293.12018	5.8
310.14725	100.0
311.15237	4.5
323.02182	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.23138	0.9
53.03939	3.1
55.01854	1.8
55.05512	36.8
56.05870	1.1
56.96560	1.4
57.03428	1.5
57.07079	8.5
59.04993	3.8
62.93946	1.1
65.03936	1.9
67.05508	29.6
69.03427	5.4
69.07070	100.0
70.07406	2.3
71.04987	4.6
71.08638	5.4
72.08126	1.5
79.05496	18.1
81.03400	1.5
81.07060	88.1
82.07409	1.8
83.04971	3.1
83.08620	22.1
85.02905	2.3
85.06543	8.2
85.10148	2.4
91.05477	12.4
93.06477	2.2
93.07047	28.8
93.07636	1.7
95.04978	7.0
95.08610	75.4
96.08925	2.4
97.02878	2.2
97.06548	7.7
97.10185	9.1
98.98473	2.5
99.08100	9.7
105.06393	1.4
105.07040	15.0
107.04881	1.4
107.08598	21.7
109.06528	5.2
109.10163	33.8
109.51591	1.0
111.08073	4.7
111.11726	20.5
113.09627	1.6
117.03380	2.2
117.07017	2.0
119.04221	1.2
119.04955	10.7
119.08582	9.4
121.10168	16.8
123.08076	3.6
123.11707	17.2
125.09648	3.2
127.03906	1.8
127.11196	2.0
129.12773	2.9
133.10144	7.3
135.11687	13.0
137.09593	3.6
137.12221	1.6
137.13263	27.8
139.11179	13.1
145.02853	5.1
145.10135	2.2
147.04411	40.3
147.11705	8.7
148.04738	2.2
149.01277	1.2
149.13257	12.5
151.11237	1.5
151.14792	2.4
153.12756	1.7
157.12236	1.6
161.13252	5.1
163.14822	11.8
165.12737	1.8
167.14267	1.1
175.14851	3.1
177.05476	9.2
177.16400	4.2
179.14293	1.1
189.16463	1.9
191.17976	2.5
206.06993	1.6
209.19058	1.8
209.94530	1.0
218.54961	1.2
221.19066	1.4
227.19983	2.6
234.06902	1.5
235.13155	1.3
239.20027	1.5
249.09151	3.4
252.09494	1.1
266.09305	1.1
267.58212	1.2
273.25665	4.0
277.08661	3.2
281.11618	1.4
291.19336	1.3
291.26785	8.2
309.11188	3.9
309.16611	1.5
309.27905	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	310.147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83162	1.8
53.03942	1.7
55.05515	15.4
56.09912	1.4
56.96549	3.6
57.03440	3.2
57.07080	2.4
57.17047	1.7
58.99580	15.5
67.05505	3.2
68.05024	14.9
69.03423	4.0
69.07049	4.1
70.06590	3.0
71.04993	2.7
73.01117	1.9
79.05497	7.1
81.03403	2.5
81.07059	10.6
83.04984	34.9
83.08609	3.1
85.02892	4.1
86.09688	2.1
86.99047	9.0
87.04433	2.3
88.03988	5.9
89.35023	1.7
91.05476	6.4
93.07057	10.5
95.04951	6.2
95.08615	4.6
97.01121	4.4
97.02879	2.5
97.06530	5.8
98.21539	3.2
100.02161	8.0
103.05488	1.9
105.00079	7.8
105.07028	8.5
106.06526	1.7
107.04927	2.7
107.08613	9.9
108.08129	2.1
109.02888	2.2
109.06498	4.0
112.07626	1.7
116.98611	1.8
119.04961	2.5
119.08619	8.4
121.06492	2.2
121.08844	8.1
121.10174	3.9
122.09628	6.2
123.04447	3.5
123.08063	9.2
123.11714	4.6
124.04837	1.8
124.07591	2.8
124.11237	1.8
125.04251	2.3
125.09647	4.3
126.03744	25.7
131.08534	2.1
133.06500	4.4
133.10114	2.8
136.07555	2.6
137.04207	100.0
137.05780	9.0
137.13243	2.5
138.09142	1.7
139.02101	2.7
139.05737	6.4
144.09312	1.7
145.10153	2.3
146.02696	19.2
147.04430	5.2
147.11665	4.4
148.04749	7.0
149.04251	1.6
149.05965	1.9
150.09140	3.1
156.67735	1.5
159.11642	2.8
161.13187	2.2
163.05803	8.2
164.07292	2.3
165.03656	10.2
165.07297	2.3
165.12779	11.9
170.08142	4.9
172.04280	87.7
173.04634	2.6
179.08876	6.6
182.09908	2.2
182.15448	2.4
183.15714	2.9
187.11206	2.9
189.12723	5.4
191.05270	1.9
191.08580	3.9
206.15381	6.5
209.06334	13.2
219.07974	3.9
221.09949	13.3
223.11493	4.4
226.08943	6.2
228.10492	6.5
236.08047	2.4
247.07602	3.3
251.10680	7.7
254.08485	6.1
264.14297	4.9
279.10153	6.0
283.13315	2.8
292.13663	3.0
293.11948	3.1
296.10403	1.8
310.14694	78.1
310.19864	8.7
311.05240	2.2
311.12854	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	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
52.82235	1.2
53.03947	3.2
54.73207	1.2
55.01857	4.0
55.05269	2.3
55.05514	35.4
56.96561	6.0
57.03434	4.6
57.07075	14.2
59.04997	2.0
59.42253	1.2
60.00906	1.3
62.12468	1.3
65.03935	2.1
67.05508	39.8
69.03436	6.3
69.07072	56.1
69.95823	7.2
71.05012	8.4
71.08632	5.1
79.05508	18.5
81.03414	3.2
81.07063	100.0
82.07380	1.7
83.04990	7.3
83.08622	25.4
85.02955	1.7
85.06567	7.7
85.10165	2.1
91.05478	19.5
93.07047	34.2
95.04982	16.2
95.08612	87.1
97.02912	3.1
97.06558	8.0
97.10172	13.2
98.20860	1.9
99.08080	7.7
100.11244	3.4
105.07043	17.1
107.04962	2.2
107.08606	29.7
109.06520	5.8
109.10158	45.5
111.08104	6.3
111.11724	11.6
117.07024	1.9
119.04950	12.2
119.08588	16.5
121.09322	2.1
121.10144	24.4
123.04409	1.9
123.08069	4.3
123.10825	2.6
123.11705	28.9
125.09682	2.3
125.13302	2.9
127.03979	1.8
131.08575	3.1
132.36119	1.4
133.10138	10.0
135.11685	15.4
137.05951	2.3
137.09613	4.7
137.13277	11.4
139.11188	5.8
145.02899	4.2
145.10135	3.7
147.03241	2.9
147.04417	59.2
147.11696	7.6
148.04758	2.3
149.13275	15.6
151.11163	2.7
151.14821	2.1
155.10701	3.3
159.11708	1.6
161.13293	4.5
163.14787	8.6
165.12769	3.1
165.16345	2.5
167.14265	1.6
171.11746	2.0
175.14767	3.4
177.05453	10.0
177.16383	4.5
179.17862	2.6
182.15443	2.0
189.16319	3.0
191.17975	3.2
195.17412	1.7
199.14862	3.4
203.17917	2.8
209.19183	1.5
210.48277	1.4
217.15967	3.0
217.19556	1.8
234.06731	2.7
242.11469	3.7
245.70416	2.0
249.09108	3.2
259.12219	2.3
260.12543	5.0
266.98492	1.3
273.18604	1.5
273.25809	9.6
277.08600	4.2
281.11636	2.5
286.10419	3.8
291.19772	2.4
291.26874	10.8
294.08786	1.9
304.11496	4.7
309.07614	1.9
309.11111	7.5
309.28061	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03943	3.9
55.01868	1.8
55.05511	40.3
56.55630	1.0
56.96563	1.4
57.03430	3.5
57.07079	10.0
59.04995	4.1
65.03923	1.1
67.05507	31.5
69.03425	2.0
69.07067	98.7
70.10545	4.3
70.68394	0.9
71.04983	4.9
71.08631	5.0
72.18048	1.1
77.57992	0.8
79.05490	19.6
79.05923	1.9
81.03415	1.7
81.07056	100.0
83.04971	3.8
83.08145	1.9
83.08618	25.4
85.02922	1.7
85.06540	6.5
85.10177	2.0
91.05473	12.5
93.07046	29.2
95.04972	6.6
95.08606	83.6
96.08919	1.6
97.06529	8.8
97.10163	11.8
99.08095	9.7
105.07029	15.0
107.04932	1.7
107.08596	21.1
107.70753	0.8
109.06503	4.6
109.10155	35.7
111.08099	5.2
111.11719	19.8
117.06985	1.2
117.41724	0.9
119.04967	2.4
119.08575	12.3
121.06551	1.0
121.10141	19.5
123.08078	4.3
123.11700	19.5
125.09650	3.7
125.13234	1.9
129.12781	1.1
131.08540	2.1
133.10124	8.8
135.11699	12.8
137.09613	3.1
137.13258	24.3
139.11180	13.9
141.09270	1.1
143.08545	1.1
145.02893	1.5
145.50325	1.0
147.04393	10.4
147.08113	1.1
147.11710	7.6
149.09595	1.4
149.13274	16.0
151.11220	1.6
151.14832	2.8
155.10683	1.6
157.10150	1.6
159.11670	1.3
161.13249	5.4
163.14818	9.4
165.09148	1.4
165.12796	2.7
165.16348	1.1
167.14340	1.8
175.14844	4.2
177.05525	2.7
177.16429	3.2
179.14333	1.3
179.18030	1.4
189.16455	1.6
191.17947	3.4
193.15881	1.2
203.17949	2.6
209.19095	1.3
213.18350	1.6
217.19579	3.0
221.19044	1.1
227.17970	1.1
227.20122	3.6
239.20105	1.8
269.10306	1.0
273.18463	1.2
273.25806	7.4
285.10001	1.3
291.19513	4.0
291.26807	11.1
309.16891	1.8
309.20416	1.8
309.27902	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.27030	0.6
53.03946	0.8
55.01875	1.3
55.05512	17.8
57.03440	3.6
57.07079	4.5
59.04999	3.2
65.03918	1.4
67.05505	12.7
69.03435	5.1
69.07067	100.0
70.07401	1.2
71.04996	1.8
71.08630	1.7
73.06561	1.0
74.20787	0.6
77.94195	0.5
79.05492	8.0
81.03422	1.1
81.07057	35.8
82.93990	0.6
83.04974	1.7
83.08623	11.3
85.02895	1.3
85.06544	6.9
85.10200	1.2
91.05480	8.2
93.07045	14.1
95.04967	1.8
95.08606	33.0
96.08883	0.6
97.02898	2.2
97.06538	5.7
97.10170	5.7
98.98452	1.4
99.08090	5.9
105.07035	4.9
105.41376	0.6
107.04971	1.2
107.08596	14.4
109.06528	2.3
109.10162	16.1
111.08089	7.1
111.11720	27.2
113.09689	0.8
115.07510	0.7
117.03343	0.7
117.07023	1.3
119.04945	9.1
119.08578	3.8
120.05318	0.6
121.06472	0.6
121.10143	11.5
123.08091	1.6
123.11705	13.9
125.09669	2.5
125.13275	0.6
127.03947	1.1
127.07553	1.3
127.11187	1.2
129.12766	2.1
133.10132	2.8
135.11693	7.9
137.09627	0.7
137.13248	5.7
139.11176	19.9
143.10632	0.8
145.02858	2.5
145.10139	0.7
147.04408	42.5
147.11714	1.1
148.04779	2.4
149.13278	8.4
151.14838	1.5
153.12752	5.0
157.12263	2.0
161.13272	1.6
163.11185	0.7
163.14835	3.1
165.12813	1.0
167.14314	2.2
171.11671	0.8
177.05482	6.2
177.16412	1.5
189.16466	0.7
191.17995	1.0
206.07205	0.9
207.06429	0.8
217.19481	1.0
221.09517	0.7
234.06746	1.6
235.20486	0.6
249.09021	1.4
251.07050	0.9
261.16083	0.6
262.06345	0.9
266.09518	0.8
273.25748	0.8
277.08615	3.1
281.11725	2.2
282.18399	0.7
291.08383	0.6
291.19620	1.5
291.26791	5.7
294.08698	0.6
309.11279	4.7
309.20822	0.7
309.27881	20.8
310.11404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.221
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03940	4.3
53.42595	2.1
55.01862	3.9
55.05516	19.2
57.03431	5.4
65.03960	3.1
66.04529	2.1
67.05505	34.9
69.03397	2.4
69.07069	17.4
69.93267	7.8
69.93683	4.2
71.04978	4.0
72.76632	2.1
79.05130	2.4
79.05492	29.6
81.03410	4.5
81.07055	50.1
83.04955	4.9
83.08601	8.2
91.05476	46.8
93.07043	62.4
95.04971	59.6
95.08606	41.9
97.06524	19.9
98.20847	3.4
103.05454	5.5
105.07024	89.9
107.08595	34.5
109.06537	14.3
109.07150	2.3
109.10156	23.5
115.05499	6.1
116.06245	3.0
117.07003	15.0
119.08571	59.0
121.06490	8.6
121.10136	94.7
123.08068	14.6
123.11704	8.2
128.06200	10.0
129.06995	16.9
130.07748	7.9
131.08572	37.9
133.06436	2.3
133.10127	44.7
135.08037	5.8
135.11703	14.4
141.06963	7.3
142.07753	18.5
143.08553	26.5
144.09332	5.2
145.06453	4.5
145.10121	49.0
147.08017	5.6
147.11722	15.0
149.09633	5.5
153.06961	2.4
154.07726	4.6
155.08546	15.1
156.09383	13.0
157.10124	33.9
158.10861	7.8
159.08043	3.4
159.11693	36.1
161.09583	7.7
161.13243	8.1
164.98468	3.4
165.07013	3.0
167.08536	5.2
168.09367	3.1
169.10167	18.2
170.10820	7.2
171.11699	23.3
173.09624	3.6
173.13266	13.1
175.11220	4.0
175.14792	7.6
179.08488	3.8
181.10081	10.1
182.10887	6.1
183.11691	17.0
185.13222	15.5
187.11131	10.9
187.14781	16.5
189.12631	3.1
193.10120	8.5
194.10898	2.9
195.11694	9.6
197.13202	16.3
199.14784	10.7
201.12711	3.4
201.16339	3.5
206.10962	5.1
207.11702	4.4
208.12331	3.6
209.13263	10.2
211.11150	3.3
211.14806	8.9
213.12769	2.4
213.16310	5.5
215.14255	4.0
220.12413	2.8
221.13251	7.2
223.14807	7.1
225.16364	8.6
235.14792	8.1
237.16426	3.8
239.17870	7.7
241.15976	2.9
248.15437	2.8
249.16316	4.8
251.18011	3.4
253.15887	7.0
265.19440	4.9
281.22546	6.1
291.21094	15.2
309.22064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	5.5
55.01665	1.7
55.01878	18.3
55.05508	31.8
57.03428	6.6
57.07071	4.4
59.05004	1.5
65.03935	4.0
67.05504	72.5
69.03430	6.1
69.07068	28.9
71.04987	12.8
71.08651	2.2
71.21488	2.8
77.86501	1.4
79.05489	47.0
79.43980	1.5
81.03413	4.2
81.07056	85.1
82.07432	1.6
83.01332	5.4
83.04980	16.0
83.08616	12.5
85.02894	2.1
85.06544	8.1
86.43840	1.3
91.05476	59.8
93.07044	50.4
95.04976	14.7
95.08603	35.7
97.02883	3.4
97.06557	8.6
97.07089	1.5
97.10172	5.8
99.04443	5.1
99.08125	2.9
100.06947	1.4
103.05456	3.1
105.07029	55.3
106.07446	1.4
107.04958	9.8
107.08588	49.7
109.06508	15.5
109.10153	85.7
111.04469	8.7
111.08057	9.0
113.06026	3.9
117.06991	9.5
119.08578	19.0
121.06485	14.8
121.10158	12.4
123.04420	3.6
123.08072	8.8
123.11713	12.8
125.05972	1.7
125.09631	3.8
127.07536	5.0
129.06996	5.2
131.08566	14.7
133.06532	8.2
133.10129	100.0
135.08055	7.2
135.11707	8.3
137.05945	2.6
137.09608	4.5
139.07550	6.5
139.11203	2.3
143.08553	9.0
145.10104	13.1
147.08015	9.1
147.11679	5.7
149.09615	7.3
149.13240	2.7
151.07632	1.6
151.11176	58.8
157.10121	5.7
159.11708	4.3
161.09584	10.1
161.13274	5.5
163.11125	4.7
165.09023	2.7
165.12738	2.9
169.10173	2.7
169.12221	9.4
171.11661	4.3
173.09590	2.8
173.13397	1.6
175.11206	3.9
175.14821	1.9
177.09142	3.6
179.10660	2.7
179.14299	1.7
181.08630	3.6
185.13219	3.0
187.11195	2.8
188.14470	1.4
189.12796	5.5
195.11629	1.8
199.11131	2.7
203.14291	2.6
207.13753	2.1
215.12819	4.0
217.12320	2.5
227.17912	3.1
245.19054	14.9
255.17473	3.6
263.20035	15.0
273.18484	31.5
274.18750	2.2
291.19537	64.1
292.19827	4.8
309.20575	24.5
309.24670	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03931	3.4
55.01862	7.8
55.05511	39.5
56.96545	2.3
57.03427	3.4
59.04994	2.3
67.05501	27.9
69.03427	6.9
69.07069	17.9
70.04076	5.3
70.13474	5.1
70.13893	2.1
71.05003	2.0
79.05487	23.0
81.03417	4.6
81.06588	2.6
81.07056	32.8
83.04982	6.3
83.08624	20.5
91.05483	16.9
93.07036	21.1
95.01351	1.9
95.04968	12.6
95.08605	18.9
97.06511	4.3
97.10172	32.6
103.52173	1.9
105.07041	13.0
105.07654	2.3
107.04968	4.6
107.08602	18.1
109.06512	3.6
109.10179	7.7
111.04462	3.9
111.08096	3.4
117.07012	3.3
119.08561	9.0
121.06525	5.4
121.10165	6.7
123.08065	16.2
123.11742	1.9
125.09630	27.6
129.06982	3.4
131.08554	6.0
133.10136	5.5
135.08058	5.7
135.11655	3.9
137.09602	3.9
139.11209	2.4
143.08562	2.3
145.10144	5.5
147.04469	2.9
147.08063	5.7
147.11684	5.8
151.11151	1.7
153.09085	3.8
153.12714	2.1
157.10162	3.7
161.09615	4.3
163.11189	3.0
165.09113	5.5
171.11671	2.9
174.98611	1.8
175.11263	2.5
177.09309	1.7
181.12236	2.3
189.11235	20.0
189.12766	3.2
207.13753	1.8
211.13333	2.0
223.13266	2.8
245.19014	2.4
249.14868	1.9
254.94577	1.9
263.20001	2.4
273.18549	16.3
291.19525	100.0
292.19952	4.0
309.15576	2.1
309.20630	15.5
310.25272	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	1.6
55.01860	6.2
55.05502	7.1
57.03437	37.6
57.07072	3.1
59.05005	1.7
65.03933	3.5
67.05172	2.2
67.05507	35.1
68.42818	1.4
69.03425	2.4
69.07072	9.4
69.34233	4.2
69.34647	10.0
71.04992	3.9
79.05485	16.0
81.07057	22.3
83.04982	2.7
83.08626	3.6
85.06078	2.2
85.06550	37.1
91.05478	19.6
93.07035	17.2
95.04967	39.6
95.08617	12.9
97.06508	4.1
98.20754	2.5
105.07030	13.5
106.80461	1.5
107.04960	5.4
107.08595	12.2
109.05788	2.6
109.06515	38.7
109.10150	4.9
111.08074	2.0
113.06004	100.0
113.09591	1.8
114.06306	1.3
116.39684	1.5
117.07013	6.4
119.08556	7.5
121.06475	3.4
121.10119	4.2
123.08050	3.1
123.11726	2.1
128.06163	1.7
129.06996	4.3
131.08549	8.2
133.10155	8.0
135.08054	39.8
135.11671	5.2
137.09604	2.1
143.08548	4.7
145.10120	11.1
147.04424	2.8
147.08060	2.0
147.11694	2.8
149.09621	6.0
149.13252	1.6
151.11180	2.9
157.10045	2.7
159.08025	1.9
159.11655	2.3
161.09610	5.7
163.11229	1.5
171.11681	1.5
173.13284	3.0
177.12735	2.0
185.09744	2.4
185.13251	2.1
189.12810	3.0
195.13797	2.7
199.14839	2.3
200.28799	1.4
207.13843	2.2
217.15892	11.6
227.17935	1.8
245.19034	4.0
253.18628	1.7
255.17645	1.7
263.20047	12.7
273.18454	14.2
291.19528	43.3
292.19873	3.3
309.20615	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03941	2.1
55.01877	6.2
55.05510	31.1
57.03434	2.0
57.07062	1.2
58.99620	0.6
59.04990	0.9
65.23338	0.6
67.05502	14.5
69.03415	2.7
69.06725	0.9
69.07072	12.8
71.04983	1.6
79.05490	18.2
81.03419	2.4
81.07057	20.6
83.04979	4.5
83.08619	14.1
85.06495	0.7
91.05472	12.0
93.07044	12.1
95.04970	6.4
95.08607	7.9
97.06527	2.5
97.10169	22.3
98.20701	1.7
99.04430	0.8
105.07035	9.7
107.04956	3.6
107.08591	13.4
109.02862	1.5
109.06488	2.3
109.10109	3.5
111.04413	2.1
111.08035	1.5
117.07022	3.3
119.04906	1.9
119.08563	7.3
121.06491	2.7
121.10157	3.6
123.04411	1.3
123.08057	7.3
123.11620	0.8
125.09621	16.2
129.07002	2.0
131.08540	4.4
133.06480	3.2
133.10167	3.7
134.07301	1.1
135.08051	2.8
135.11679	2.5
137.05965	1.4
137.09584	2.6
143.08551	1.9
145.10117	5.3
146.94762	0.8
147.08044	4.3
147.11682	3.3
149.09630	1.9
153.09058	1.8
153.12704	0.9
157.10135	2.1
161.09647	1.4
162.10402	1.3
163.11172	1.1
165.09096	4.0
171.11711	1.4
175.11191	1.7
179.10660	1.2
181.12308	1.4
189.11206	9.5
189.12733	1.2
199.11131	0.9
223.13255	2.5
245.19031	2.2
249.14810	1.9
255.17441	2.8
263.19971	1.5
273.18472	10.7
291.19534	100.0
292.19901	4.5
309.20670	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03940	7.8
55.01873	14.9
55.05510	25.3
56.96561	8.9
57.03434	22.7
57.07060	9.8
67.05500	69.1
69.07060	20.7
70.06586	6.6
71.04988	10.2
71.60423	12.0
79.05486	39.6
81.03418	12.9
81.07064	91.8
83.04964	13.0
83.08628	12.8
85.06552	21.1
91.05491	33.4
93.07037	50.4
95.04973	41.2
95.08602	38.6
97.02901	7.0
97.06523	10.6
98.06039	6.1
105.07027	34.3
107.08598	31.1
109.06549	47.5
109.10160	11.1
111.04442	15.5
113.05971	41.8
117.07035	15.2
119.08612	31.7
121.10175	16.6
123.08044	11.9
129.06979	16.5
131.08569	23.2
133.10115	16.3
135.08044	33.6
135.11702	8.5
143.08556	11.1
145.10114	16.7
147.04439	10.7
147.08029	15.5
147.11633	11.3
149.13203	8.0
157.10123	14.4
159.11664	10.4
217.15878	11.7
237.16347	7.0
249.23248	9.2
264.86203	6.8
273.18573	37.2
291.19501	63.8
309.21051	15.1
309.24390	22.0
310.25296	100.0
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
53.03947	4.6
53.68964	1.9
55.01868	13.8
55.05511	53.5
57.03425	5.5
59.04978	3.4
59.24713	1.6
61.71344	1.6
67.05504	47.1
69.03426	9.0
69.06728	1.9
69.07066	27.0
69.34543	1.7
70.52058	5.7
71.04973	5.1
72.16342	1.7
79.05492	48.2
81.03421	15.9
81.07056	100.0
82.07394	2.1
83.04976	19.4
83.08619	29.9
85.02893	2.9
85.06533	2.5
91.05477	26.8
93.07034	36.8
95.04965	21.2
95.08598	26.0
97.02890	2.1
97.06535	11.9
97.10165	40.7
99.04456	2.1
99.08059	6.0
105.07018	23.2
107.04945	6.0
107.08596	28.0
109.06515	12.1
109.10146	19.2
111.04436	16.6
111.08076	8.9
117.07011	10.0
119.04935	6.4
119.08573	20.7
121.06488	7.7
121.10127	13.3
123.08067	35.6
123.11712	2.0
125.09629	34.0
127.03860	2.8
127.07551	1.8
128.06152	1.8
129.06996	5.7
131.08559	11.7
133.06499	4.0
133.10100	9.5
135.08031	7.4
135.11676	9.8
137.09619	11.5
139.11130	2.2
143.08528	6.0
145.02827	3.8
145.10132	13.1
147.04422	23.6
147.08020	7.4
147.11652	7.3
148.04703	1.9
149.09566	4.5
149.13216	5.0
151.11191	3.6
153.09093	5.3
153.12746	7.7
157.10095	7.0
159.11679	4.4
161.09619	3.0
163.11191	22.6
165.09113	11.3
171.10153	1.8
171.11708	1.8
173.09499	2.4
173.13191	3.1
175.11179	5.5
177.05423	5.2
177.06926	1.6
177.12732	2.8
181.12241	9.1
185.13284	1.6
189.11212	28.0
189.12755	1.3
191.10655	6.3
193.12274	14.0
199.14749	1.7
199.50673	2.1
211.13278	3.8
217.15944	2.1
219.13730	1.9
223.13283	6.6
227.12679	5.1
227.17897	2.7
235.13275	1.8
245.18956	4.6
249.14728	3.5
255.17432	3.5
257.25116	1.6
263.20081	3.7
266.21024	8.9
273.18484	24.1
274.18741	2.1
277.08401	4.0
277.79269	1.7
291.19531	72.0
292.19806	3.8
305.12808	2.1
309.11053	2.7
309.20627	18.0
310.23730	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	309.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53300	0.8
53.03933	1.5
55.01876	4.7
55.05266	1.4
55.05511	19.7
56.96553	1.2
57.03425	2.5
57.07053	2.8
67.05170	1.4
67.05502	17.0
69.03429	4.6
69.07069	14.1
71.04995	1.9
71.08613	1.3
72.08168	1.3
79.05495	18.3
80.74892	0.9
81.03417	5.0
81.07059	29.6
82.84638	0.8
83.04981	5.5
83.08621	10.3
85.02904	1.7
85.06527	3.1
85.55792	1.0
91.05471	12.8
93.07055	17.9
95.04983	11.9
95.08605	23.6
96.08990	1.2
97.02885	3.9
97.06531	4.2
97.10184	12.3
99.04462	1.1
99.08076	2.3
105.07022	11.3
107.04913	2.3
107.08591	11.8
109.02893	1.0
109.06511	3.9
109.10149	9.0
111.04431	3.3
111.08095	4.7
111.11695	1.7
113.06021	1.5
117.03331	1.6
117.06998	3.2
119.04927	9.5
119.08578	9.3
121.06488	1.6
121.10143	8.4
123.04399	1.3
123.08073	19.1
123.11725	6.8
125.09631	10.3
127.03922	1.4
127.07568	0.9
128.06213	1.1
129.07024	1.9
131.08580	5.3
133.06555	1.3
133.10109	7.2
135.08087	2.1
135.11694	4.5
137.05998	1.1
137.09639	2.6
137.13222	1.4
139.11168	1.8
142.07706	0.9
143.08548	2.7
145.02856	4.7
145.10138	3.9
147.03226	2.0
147.04407	37.8
147.08041	2.5
147.11696	2.4
149.09656	2.3
149.13248	2.6
151.11191	1.6
153.09142	0.9
157.10187	1.4
159.11673	2.0
161.09642	1.7
161.13202	1.5
163.11198	3.4
165.09129	2.9
169.10092	1.5
169.12178	1.1
171.11684	1.5
175.11131	1.8
175.14798	1.1
177.05478	8.9
181.12231	1.8
187.13333	1.8
189.11205	6.2
189.12692	1.6
193.12204	1.7
211.13327	1.6
217.15840	1.2
223.13310	2.0
227.12779	1.3
234.06723	1.1
245.19086	1.3
255.17340	1.5
263.19980	1.5
273.18546	10.9
277.08594	3.4
281.11789	1.3
291.08661	1.4
291.19519	12.9
291.26620	1.4
307.09326	1.0
309.11026	3.8
309.16733	100.0
309.27768	3.7
310.17212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01865	1.6
55.05498	1.4
56.05021	1.2
56.96563	1.3
61.02922	1.6
65.03934	1.8
67.05504	7.0
68.05021	1.7
69.03432	3.2
69.07053	3.9
69.66471	1.7
69.66880	4.6
70.06591	2.4
71.04992	1.5
72.08160	1.4
74.06070	1.9
76.02221	3.1
79.05494	2.7
80.05025	1.3
81.03413	5.1
81.07047	2.3
82.06585	6.9
83.04989	1.6
84.04516	1.7
84.08134	3.0
85.02902	6.3
85.04860	0.7
85.06518	0.9
86.09695	2.0
88.03996	0.7
91.05469	7.6
93.03397	3.1
93.07043	3.1
94.06558	1.7
95.04966	6.9
96.04488	15.1
97.02905	1.0
98.21381	1.6
99.04430	1.0
105.07018	1.7
107.04955	2.0
107.08591	0.9
108.08115	2.0
109.02895	1.6
109.06520	2.4
110.06039	43.9
111.04437	2.9
112.07570	1.3
113.06030	1.0
115.05466	0.7
116.07112	1.3
116.98611	0.9
117.03400	1.2
117.07008	1.9
119.04932	5.7
119.08556	1.3
120.08060	1.0
121.02880	3.2
121.06457	1.0
122.06022	0.9
123.04395	1.5
124.07581	5.3
125.06065	0.9
126.05522	1.7
127.03928	1.6
128.07060	2.8
129.05463	1.2
129.06989	1.4
131.04913	2.4
133.06508	1.5
133.10216	0.8
134.04662	1.0
134.05965	1.3
134.99771	0.9
135.04413	1.1
136.07574	84.2
137.05968	3.7
137.07927	1.3
138.05498	30.8
139.03877	1.6
139.13365	0.8
140.07063	2.7
141.05527	1.0
143.04852	1.0
145.02838	2.6
145.10101	1.1
146.05951	0.8
146.11714	1.2
147.04407	25.7
147.07964	0.9
148.04752	0.9
149.05934	2.1
150.05516	1.7
152.07060	6.0
154.08627	100.0
155.07066	1.3
155.08878	1.4
156.06563	19.6
157.06480	1.0
159.08116	1.5
160.07576	1.5
161.05975	1.4
162.09195	1.2
163.02625	1.1
163.03922	2.1
164.07053	0.9
165.02264	6.1
165.05507	1.2
165.06897	0.9
167.07060	1.8
172.11217	0.8
173.09627	0.9
174.09148	1.1
175.03909	1.4
175.07503	1.8
176.06975	0.8
177.04027	1.1
177.05479	12.8
177.06868	1.2
178.03624	1.0
182.05002	7.4
186.09087	2.2
189.07004	1.0
190.08717	1.1
190.12245	1.1
191.07040	0.9
200.10703	2.3
202.08653	1.0
203.07048	1.8
204.10220	1.1
205.08507	1.5
206.17448	0.8
207.06567	4.9
208.02875	50.1
209.03249	1.1
217.13448	0.8
218.08177	2.0
218.11743	2.0
219.06512	0.9
221.05995	1.8
227.11639	1.0
228.10172	2.5
234.06590	0.8
235.07536	1.1
237.09213	1.8
245.12839	2.2
246.11266	6.1
247.09564	1.6
249.12303	1.4
255.11235	1.8
256.09503	1.4
263.07068	2.2
265.05057	4.1
267.06525	1.3
273.12299	4.2
274.10678	7.9
277.05194	1.3
277.08463	1.0
281.08258	1.3
286.90497	0.7
291.13400	6.0
292.11783	14.2
309.07449	16.0
309.14407	50.2
309.17337	1.8
310.14758	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0909
Annotation	Glutathione
Peak:m/z	Relative Intensity
55.05479	0.4
56.05032	2.3
56.96566	1.2
57.98795	0.5
58.99585	22.0
65.03957	0.4
67.05489	0.4
69.03432	0.8
69.92477	1.2
69.92896	1.3
70.06587	1.7
71.04990	0.6
72.08130	0.4
73.01144	0.7
73.84589	0.4
76.02224	100.0
76.03972	3.0
80.05020	1.9
81.03429	0.6
82.06603	0.7
83.04949	0.5
83.06101	0.9
84.04498	44.7
84.08147	1.0
85.02899	1.6
86.99047	5.0
88.02215	1.8
88.03999	0.5
90.94858	0.6
91.05463	0.6
95.04966	0.5
97.02884	0.8
98.21481	0.7
100.07597	0.6
102.05544	1.3
102.06187	0.4
109.02879	0.6
110.06042	0.6
114.03745	1.4
114.08924	0.5
115.04053	0.5
115.85910	0.5
116.01670	22.7
116.98656	0.5
124.07681	0.4
128.07088	1.0
129.10281	0.4
130.04993	12.5
130.06482	0.7
130.08667	0.4
131.06841	0.8
132.95906	0.5
134.99673	0.6
136.07582	0.8
139.03937	1.6
140.04228	0.7
141.04779	0.9
142.03218	11.8
144.01140	12.0
146.06046	0.6
146.08110	2.4
147.04387	1.0
150.00716	0.5
154.08537	0.5
157.07616	0.4
158.08073	0.5
162.02193	38.9
163.02663	0.5
163.03946	1.4
164.04250	0.5
170.02678	3.2
175.08678	0.5
177.00685	0.5
179.04845	43.2
187.05330	2.3
200.50955	0.5
215.04808	2.0
227.04994	0.5
233.05901	13.5
245.05974	3.1
252.45735	0.4
272.09082	1.0
290.07874	0.8
291.06381	3.0
308.09055	5.4
308.12418	0.6
312.00772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03931	4.2
53.86782	1.4
55.01857	4.6
55.05265	2.6
55.05512	34.6
56.92617	1.3
56.96565	7.4
57.03429	2.8
57.07069	8.2
59.05000	13.6
62.20902	1.5
67.05174	2.7
67.05505	32.8
69.03407	6.3
69.07069	98.1
71.01343	4.6
71.04990	10.0
71.08620	3.6
71.13353	3.8
76.02213	3.5
79.05495	29.0
81.03412	2.0
81.07055	100.0
83.04966	8.1
83.08618	22.5
84.04484	2.0
85.06537	6.8
91.05476	19.6
93.07041	65.8
95.04970	14.0
95.08608	84.1
97.06520	16.4
97.10168	10.3
99.08095	4.3
105.07034	22.7
107.04946	2.7
107.08594	47.1
109.06516	8.3
109.10162	39.1
111.08070	6.1
111.11706	17.4
112.33309	1.6
115.05392	1.8
117.07021	5.5
119.08577	20.2
121.06488	6.2
121.10132	31.9
123.08066	4.7
123.11707	27.3
125.09625	5.5
125.13264	2.7
129.06976	2.4
131.08562	7.0
133.06496	2.3
133.10144	13.1
135.08041	2.9
135.10684	2.7
135.11684	39.4
137.09550	1.9
137.13251	26.2
139.11172	14.3
144.09315	2.7
145.10126	5.4
147.11676	9.4
149.09653	2.7
149.13252	28.2
151.11165	2.8
153.12639	3.1
157.12273	1.9
159.08067	2.3
159.11655	8.7
161.13234	8.3
163.03918	4.6
163.11160	3.0
163.14816	4.8
165.12665	2.0
167.14278	2.8
173.09645	2.4
173.13329	3.0
175.14798	5.1
177.12807	4.6
177.16379	3.6
187.14844	2.0
189.11234	1.7
189.16341	2.4
195.13678	2.4
231.21042	2.6
241.11142	3.8
259.12097	8.7
263.04343	2.2
264.07794	2.0
269.90012	1.6
271.16650	3.9
271.24203	3.8
285.10086	5.0
289.18121	14.5
289.21109	2.6
289.25195	11.7
292.07233	1.9
303.11221	3.8
307.09607	6.3
307.15399	3.8
307.18997	22.4
307.26318	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	307.2633
Annotation	Decaryiol
Peak:m/z	Relative Intensity
53.03933	1.1
55.05514	15.6
57.03430	3.0
57.07082	4.5
59.04997	2.1
67.05509	23.1
69.03433	2.7
69.07072	52.7
69.89814	1.6
69.90230	2.6
71.04988	2.7
71.08624	1.2
76.02248	0.8
77.03907	0.7
79.05499	7.2
81.07062	33.2
83.04973	2.4
83.08625	12.2
85.06541	4.7
91.05499	4.3
93.07051	15.1
95.04974	5.7
95.08608	23.6
97.06551	4.3
97.10167	3.9
98.20808	0.9
99.08092	2.8
105.06385	1.1
105.07037	11.3
107.08600	13.4
109.06525	3.3
109.10163	45.2
111.08083	2.4
111.11731	8.5
117.45332	0.7
119.08580	11.2
121.06544	1.7
121.10150	12.9
123.08088	3.4
123.11714	10.2
125.09650	1.8
127.11186	2.6
131.08597	1.6
133.10123	6.2
135.08049	1.9
135.11710	7.0
136.08833	0.8
137.09589	4.7
137.13281	3.7
139.11198	7.2
145.10141	3.4
147.11725	4.0
149.13277	5.2
151.11183	2.0
151.14838	1.1
155.10661	3.7
159.11702	4.7
161.13260	9.0
163.03909	2.1
163.11256	3.5
163.14853	3.6
165.12730	4.8
167.14398	0.7
167.33806	0.7
173.11790	1.3
173.13260	1.6
175.14793	1.9
177.12796	3.7
177.16380	1.5
178.13541	2.3
179.14322	21.4
182.58763	0.8
187.14775	1.2
189.16351	1.7
191.17839	0.9
201.16415	1.0
205.15976	0.9
215.17964	1.4
233.19020	0.8
271.24213	1.4
289.25275	8.8
307.09540	1.4
307.26331	100.0
308.26593	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03936	2.4
55.01869	1.7
55.05512	27.2
57.03429	1.7
57.07066	9.1
59.04993	4.0
59.73993	1.1
65.03919	1.3
67.05505	32.0
69.03403	3.6
69.07071	73.4
71.04981	4.1
71.08614	3.5
71.60461	1.7
76.02203	1.7
79.05074	1.6
79.05496	25.5
79.05944	1.0
81.03410	2.0
81.07059	100.0
83.04984	6.2
83.08617	12.6
85.02914	1.4
85.06538	13.8
85.10194	1.3
91.05481	14.4
93.07045	47.7
95.04972	13.0
95.08609	75.2
97.06536	8.6
97.10165	8.0
98.18581	1.2
99.04504	1.5
99.08083	7.1
105.07030	28.6
106.05679	1.3
107.08602	41.8
109.06513	6.2
109.10162	45.1
111.08118	7.1
111.11716	13.4
113.09643	2.2
117.07033	3.2
119.08582	20.1
121.06519	2.8
121.10149	27.6
123.08061	5.1
123.11709	22.1
125.09610	3.3
127.03865	1.2
127.11184	1.5
129.12746	1.8
131.08563	6.1
133.10143	14.5
135.04486	1.4
135.08028	1.9
135.10703	2.5
135.11700	43.3
137.09596	5.0
137.13268	9.3
139.11182	12.2
143.05672	1.4
145.10121	9.7
147.11696	16.6
149.09662	2.0
149.13269	18.9
151.11154	3.8
151.14789	2.5
153.12794	2.9
159.11710	12.5
161.13289	11.8
163.03908	3.8
163.11172	3.0
163.14839	10.0
165.12738	8.9
165.16472	1.5
167.14305	2.1
170.89000	1.1
173.13278	5.6
175.14819	4.9
177.16396	7.0
179.14272	2.2
179.17902	1.2
187.14798	4.1
189.16389	4.5
191.17931	2.9
193.15918	1.2
201.16400	2.8
207.17513	1.3
215.17943	4.3
229.19411	1.6
264.07901	1.5
271.24194	9.6
277.63464	1.1
289.25247	23.8
292.07114	1.9
307.09515	3.5
307.26312	40.4
308.26404	1.3
321.70822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.78199	1.0
53.03941	4.8
54.05900	1.0
55.01878	15.4
55.05512	39.1
56.96551	1.6
57.03431	4.2
57.07070	5.0
59.04797	0.9
59.05005	10.1
61.23730	1.3
65.03938	2.7
67.05506	51.5
67.86016	1.0
69.03429	4.6
69.07069	74.7
69.20664	1.0
71.01333	3.3
71.05004	7.8
71.08621	2.5
77.03916	1.1
79.05495	46.3
81.03439	6.7
81.07059	100.0
83.04980	11.1
83.08614	23.6
85.06536	5.3
87.08065	1.0
91.05479	35.2
93.07045	68.7
93.28468	1.1
95.04969	16.1
95.08607	63.2
97.06535	29.7
97.10170	17.3
98.20744	1.9
99.04427	1.4
99.08066	2.1
103.05410	1.5
105.04544	1.2
105.07031	36.2
107.04964	14.2
107.08597	63.9
109.06529	15.4
109.10156	32.3
111.08094	9.6
111.11706	12.3
113.09656	2.0
115.05429	1.3
117.07025	9.9
119.08585	27.9
121.06487	7.0
121.10146	31.7
123.04391	1.6
123.08065	6.4
123.11713	18.4
125.09631	15.9
125.13245	3.1
129.07027	3.5
130.07768	1.6
130.46605	1.1
131.08575	14.6
133.06508	2.0
133.10133	22.7
135.08055	7.1
135.10680	2.3
135.11697	32.7
137.09625	5.5
137.13243	17.5
139.11186	10.2
140.71985	1.0
141.06993	2.0
143.08556	3.5
145.10117	15.3
147.08064	2.1
147.11691	16.2
149.09630	15.0
149.13255	23.0
151.11165	5.8
151.14798	2.7
153.09093	3.5
155.08574	3.8
155.10497	1.3
157.10117	3.1
157.12152	1.3
159.11697	15.0
159.14255	1.2
161.09645	1.3
161.13231	6.8
163.11180	11.0
163.14801	4.1
165.09135	1.9
165.12746	3.9
167.14365	2.0
169.10120	3.3
171.11673	2.5
173.09625	2.2
173.13272	7.7
175.11244	2.3
175.14836	4.1
177.12730	6.6
177.16356	3.4
179.14354	2.3
181.12100	1.3
183.11720	2.3
185.13156	1.4
187.11171	2.4
187.14804	2.3
189.12746	1.4
189.16420	2.0
191.10614	1.2
193.12329	2.0
197.13376	2.6
199.63795	1.1
201.12704	1.1
201.16431	1.7
203.12810	7.8
205.19699	1.4
215.17982	2.5
216.62941	1.2
229.19487	5.4
231.21127	1.6
233.15402	2.2
239.17928	6.7
247.20601	7.0
257.19016	13.0
261.18558	1.2
267.08997	1.8
271.24243	2.6
275.20068	69.6
276.20578	1.1
285.10226	1.4
289.18057	3.3
289.21704	3.9
289.25275	7.9
307.09491	2.0
307.19113	3.5
307.22708	16.1
307.26346	12.8
309.85541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03947	3.9
55.01876	25.2
55.05514	29.7
56.96556	3.3
57.03435	8.3
57.07079	3.5
58.57140	1.7
59.04992	4.4
65.03935	4.8
67.05508	48.8
69.03425	3.0
69.07074	21.3
71.05005	5.0
76.02222	8.3
79.05495	42.0
81.03419	8.1
81.07066	46.3
83.04977	14.7
83.08617	11.3
84.04489	3.5
85.06533	3.3
91.05490	32.5
93.07050	42.9
93.24519	1.8
94.07349	2.3
95.04977	17.7
95.08607	31.1
97.06527	31.0
97.10153	14.9
99.08096	4.0
105.07033	38.5
107.04962	17.8
107.08595	56.2
107.09304	3.4
109.06516	14.6
109.10165	14.3
111.04479	3.2
111.08086	5.0
117.07021	11.4
119.08585	27.2
121.06497	9.6
121.10154	20.5
123.08061	9.5
123.11735	3.1
124.58630	1.8
125.09634	17.5
129.07025	4.4
131.08578	17.3
133.10139	22.7
135.08057	12.0
135.11707	13.8
136.21686	1.6
137.06009	15.2
137.09641	8.1
138.06311	9.8
143.08554	3.1
145.06540	1.7
145.10121	17.4
147.08046	3.6
147.11693	19.2
149.09628	20.7
149.13269	4.1
151.11203	8.0
153.09142	4.3
155.08551	2.8
157.06500	1.8
157.10170	5.7
159.08049	3.0
159.11690	14.9
161.09596	2.6
161.13292	7.1
162.02214	3.5
163.11194	12.5
163.14824	2.4
165.09142	6.7
165.12772	7.5
166.13116	5.3
169.10175	2.6
171.11674	5.6
173.13246	8.0
175.11198	4.9
175.14830	3.3
177.12787	7.5
183.11690	4.2
185.13274	2.0
187.11166	4.0
187.14761	3.7
189.12711	2.2
197.13214	2.7
203.12759	9.8
213.16260	1.9
215.14394	2.9
215.17833	2.0
221.15735	1.9
229.19473	5.7
233.15338	5.9
239.18047	5.2
243.17532	2.0
247.20647	9.1
257.19000	10.1
261.02939	3.6
261.18561	4.5
271.17111	4.1
275.20071	100.0
276.20505	2.2
289.18030	9.4
289.21640	8.0
290.21964	8.5
307.22556	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
53.83755	2.6
55.01878	17.4
55.05513	30.0
56.96572	3.4
57.03429	5.1
57.07061	3.8
58.04861	2.0
59.04992	3.0
62.73262	1.9
65.03925	4.5
67.05178	3.4
67.05507	43.4
69.03429	4.4
69.07065	26.5
70.65237	2.2
71.04988	5.1
71.08618	2.3
71.59988	3.7
73.06564	2.6
79.05071	3.9
79.05498	57.2
81.03399	5.2
81.06593	2.8
81.07062	47.6
82.37875	1.8
83.04973	8.3
83.08612	7.5
85.06542	2.8
87.69897	2.4
91.05486	34.2
93.07048	37.5
95.04973	15.9
95.08614	31.4
95.32446	2.7
97.06531	32.4
97.10171	12.9
105.07034	44.9
107.04966	11.9
107.08593	57.1
109.06513	15.0
109.10159	18.1
111.08070	5.4
117.07012	7.8
119.08583	31.8
121.06507	8.3
121.10142	19.3
123.08076	9.9
123.11713	6.4
125.09624	16.6
129.07022	4.8
131.08578	19.9
133.10127	25.3
135.08040	10.3
135.11722	13.9
137.05965	9.1
137.09589	6.4
138.06323	3.2
141.06944	2.6
143.08591	5.1
145.10150	19.3
147.08057	2.2
147.11685	15.5
149.09630	23.3
149.13251	5.2
151.11200	6.2
153.09081	6.0
155.08441	2.4
155.11284	2.6
157.10060	6.2
157.12224	3.2
159.08084	2.5
159.11710	13.1
161.09532	2.7
161.13240	7.7
163.11195	9.5
165.09131	3.8
165.12759	8.0
169.10150	3.7
171.11714	6.6
173.13301	10.2
175.11195	3.3
177.12686	5.4
183.11679	2.9
184.54623	2.3
185.13295	3.4
187.11070	2.6
187.14888	2.9
189.12785	2.7
191.14371	2.3
191.67932	2.1
193.42685	2.0
197.13326	3.3
203.12752	11.3
207.11652	2.6
209.13182	2.6
223.14899	2.9
229.19505	5.1
239.17953	3.6
247.20497	8.9
257.19064	12.2
261.02859	2.8
273.25162	2.2
275.20068	100.0
276.20496	3.3
285.10138	2.8
289.18298	2.5
289.21527	8.0
307.19537	3.5
307.23065	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03941	1.9
54.17111	1.2
55.01857	2.9
55.05270	1.5
55.05512	19.6
56.96558	2.0
57.03435	2.8
57.07066	4.9
59.04993	3.3
65.03928	1.9
67.05502	31.1
69.03413	2.4
69.07069	17.7
70.90466	3.7
71.04714	1.1
71.04994	12.4
73.06538	3.1
76.02219	1.7
76.06458	1.4
76.99047	1.3
79.05061	2.4
79.05493	31.4
81.03427	1.5
81.07059	39.4
83.04961	3.9
83.08622	7.9
85.06530	4.2
86.09721	2.0
87.04433	1.7
91.05479	36.9
93.07043	35.0
95.04977	10.1
95.08603	27.4
97.02900	1.3
97.06542	8.3
97.10173	4.2
99.04483	1.6
99.08086	2.9
103.05476	1.5
105.07032	43.7
107.04960	3.8
107.08595	26.1
109.06530	18.2
109.10157	21.1
110.07311	1.5
111.08091	4.7
117.07018	10.5
119.08591	34.2
121.02850	5.5
121.06519	8.1
121.10143	16.6
123.08086	13.9
123.11690	6.4
125.09631	4.0
129.06967	2.2
131.08543	10.1
133.06403	1.8
133.09244	1.9
133.10147	25.2
135.08073	8.1
135.11668	7.8
137.09616	10.9
137.13286	1.5
139.11151	2.1
143.08553	4.4
145.10129	13.2
147.08061	1.6
147.11679	23.4
149.09636	9.6
149.13245	5.3
150.10321	1.6
151.07562	1.9
151.11174	15.6
155.08559	3.2
157.10141	4.2
159.08057	1.6
159.11691	10.9
161.09650	2.8
161.13266	4.7
162.54404	1.4
163.11185	11.5
163.14766	1.5
164.11679	1.4
165.12770	10.2
169.10059	2.0
171.11714	4.5
173.13290	6.3
177.12775	3.4
179.14311	5.5
183.11723	2.5
185.13210	1.6
187.11244	2.6
187.14836	1.9
191.14197	1.5
193.15842	1.7
197.13301	4.2
198.26324	1.4
201.16393	1.6
206.10788	1.3
215.14365	2.8
226.07854	3.1
229.15884	1.7
229.19536	6.7
233.15259	2.6
239.17943	10.8
247.20609	4.8
249.18401	2.8
257.19080	9.6
275.20053	51.6
276.20422	2.0
289.18005	4.9
289.21628	3.2
307.09677	6.8
307.19110	8.3
307.22681	100.0
307.26077	5.4
308.22949	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	6.5
55.01867	4.2
55.05504	21.5
57.07070	4.3
64.77526	3.3
67.05500	100.0
69.07065	21.7
71.04996	5.0
79.05486	52.0
81.03400	4.2
81.07047	63.0
83.04976	5.2
83.08609	11.0
85.06496	3.9
91.05474	65.1
93.07039	43.1
95.04943	11.9
95.08605	48.1
97.06538	4.9
97.12265	3.5
101.33539	3.0
105.06391	5.6
105.07031	65.2
107.04960	8.5
107.08585	28.8
109.06507	8.8
109.10142	35.6
111.08062	4.7
117.06996	22.6
117.78428	3.4
119.08572	49.3
121.06458	4.3
121.10141	20.1
123.08076	4.6
123.11680	9.5
131.08549	29.9
133.10138	45.8
135.04378	3.5
135.08040	4.9
135.11710	10.7
137.09598	13.9
137.13248	3.3
139.11028	3.4
145.10110	21.6
147.11639	29.5
149.09575	16.3
149.13307	4.3
151.11179	5.5
155.08450	4.3
157.10092	5.3
158.33438	3.2
159.07970	3.5
159.11635	20.2
161.13194	10.8
163.11176	10.0
171.11659	3.3
173.13281	19.4
177.12573	3.7
183.11601	4.1
185.13196	3.3
197.13087	6.6
211.14952	3.6
229.19576	5.6
233.15273	3.8
243.33286	3.9
246.71770	3.3
247.20580	12.7
257.18933	10.4
263.82382	3.3
275.20029	93.6
289.21634	6.5
307.22678	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03938	1.5
55.01875	6.5
55.05271	1.5
55.05513	13.2
57.07064	3.6
62.01794	1.1
65.03940	1.4
67.05504	31.4
69.06726	1.6
69.07069	19.4
71.04978	2.7
71.08640	1.3
71.78396	1.2
79.05495	18.5
81.06589	2.2
81.07056	38.2
83.04556	1.1
83.04967	7.7
83.08595	5.0
84.01947	1.1
85.06541	2.1
86.98749	1.1
88.24816	1.1
89.65281	1.1
91.05477	20.5
93.06482	1.9
93.07050	27.8
94.62737	1.2
95.04967	8.9
95.08606	21.7
97.06528	5.3
97.10153	3.2
105.07037	27.5
107.04945	5.8
107.08603	21.5
109.06499	11.2
109.10158	11.5
111.08083	2.8
114.77454	1.2
115.05508	1.2
117.07016	7.2
119.08582	14.4
121.06508	10.3
121.10142	9.0
123.08045	7.0
123.11697	4.7
129.07007	2.9
130.07828	1.1
131.08553	16.7
132.08994	1.2
133.06476	3.2
133.10143	19.4
135.08055	6.9
135.11736	6.9
137.05991	1.5
137.09627	3.8
143.08571	4.9
145.06488	2.5
145.10109	11.5
147.08052	2.2
147.11697	13.2
149.09624	7.5
149.13219	3.3
151.11203	7.0
155.08583	2.6
157.10089	2.6
159.08070	1.6
159.11682	7.2
161.09668	2.3
161.13336	2.6
163.11201	8.9
165.12796	2.2
169.10210	1.4
171.11688	2.9
173.09636	2.4
173.13261	6.1
175.11127	2.2
177.12700	2.3
179.14406	1.4
183.11681	2.2
187.11209	2.2
187.14745	2.4
189.12708	2.4
191.14317	3.1
197.13246	1.5
201.12727	3.1
207.13823	4.9
211.15071	1.3
215.14337	2.3
215.17928	2.0
219.13689	5.7
221.15279	1.5
229.19472	3.2
239.17975	4.0
247.20490	5.9
251.16570	2.3
257.19037	15.5
261.03024	1.6
275.20065	100.0
276.20404	2.6
289.21606	3.4
307.22662	41.4
308.22992	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03940	5.1
55.01868	11.9
55.05508	22.0
56.60421	2.9
57.03437	30.6
63.14180	3.0
65.03970	4.1
67.05507	43.8
69.07063	22.6
70.14716	8.1
70.15113	5.6
71.04991	5.0
78.84166	3.3
79.05492	53.1
79.05914	5.2
81.03375	3.4
81.07052	51.7
81.19524	3.6
83.04993	4.8
83.08618	14.1
85.06535	10.7
86.85683	3.0
91.05487	45.9
93.07046	63.5
95.04961	11.8
95.08603	33.7
97.06532	17.9
97.10181	13.9
97.72262	3.5
98.20815	3.6
99.08135	3.5
105.07028	48.5
107.04945	9.6
107.08593	53.2
107.27532	4.2
109.06530	24.7
109.10146	16.6
111.08059	4.2
116.11747	3.1
117.07008	15.5
119.08582	42.5
121.06491	7.9
121.10139	18.7
123.08073	7.0
123.11691	4.2
125.09628	10.1
129.07018	8.0
131.08568	21.7
133.10127	28.5
135.08026	7.8
135.11691	10.3
137.09645	3.9
143.08556	12.5
145.10110	19.8
147.11705	19.1
149.09642	17.2
149.13271	5.5
151.11224	4.6
157.10132	7.4
159.11713	30.6
161.13284	9.4
163.11208	14.7
165.12799	10.4
169.10066	5.2
171.11639	3.9
173.13248	15.7
175.11134	4.1
175.14806	4.3
177.12750	6.1
185.13289	21.1
191.14317	3.9
197.13268	3.4
201.16345	7.0
203.12689	6.8
203.14365	18.2
211.14854	3.9
215.17889	3.7
219.17441	84.3
229.19527	5.1
235.16916	17.3
239.18011	11.6
247.20549	7.1
257.19037	23.8
275.20065	100.0
289.21451	24.0
294.15363	4.0
307.22821	33.5
307.28256	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02879	4.0
51.41233	4.0
53.03956	20.8
55.01646	4.5
55.01875	43.6
55.05503	20.1
67.05502	54.3
69.07071	42.4
69.97492	15.8
69.97910	10.0
71.04983	4.4
77.03938	5.0
79.05497	49.4
80.26397	4.0
81.03426	30.2
81.07056	74.1
83.04971	14.5
83.08614	6.9
85.06538	6.0
91.05476	49.8
93.07041	54.2
95.01308	5.0
95.04948	24.2
95.08610	34.6
97.06529	100.0
97.10180	7.0
97.47468	3.9
99.08065	6.3
102.10013	3.8
105.07029	53.2
107.04974	28.9
107.08593	28.1
108.31960	4.2
109.06535	7.6
109.10135	11.6
111.08099	4.3
112.75961	3.9
117.07011	11.9
119.08555	32.7
121.06508	6.9
121.10163	10.6
123.08087	4.8
125.09611	9.4
131.08543	24.0
133.10109	37.0
135.08070	5.6
135.11688	14.9
141.06950	4.9
145.10141	15.1
147.11693	15.1
149.09604	14.0
149.13237	16.5
151.11165	9.5
159.11707	18.1
161.01425	4.1
163.11162	9.3
165.09094	4.9
169.87489	4.9
173.13252	4.7
177.12730	13.7
179.14323	16.2
187.11229	13.0
203.12761	5.7
247.20653	7.9
257.19089	6.1
275.20053	73.4
307.22705	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01873	14.3
55.05508	36.3
57.03434	2.4
57.07064	1.7
58.00963	1.2
59.05003	1.5
65.03910	1.9
67.05501	27.2
69.03413	3.6
69.07063	11.2
69.56897	2.9
69.57306	6.5
73.19456	1.5
79.05491	59.8
81.03405	3.1
81.07053	26.5
83.04980	5.0
83.08615	15.0
85.06520	1.7
91.05476	30.7
91.60674	1.1
93.07042	28.7
95.04970	9.3
95.08607	11.7
97.06522	12.1
97.10171	26.6
100.13331	1.4
102.38919	1.2
103.05460	1.6
105.07024	34.1
107.04949	11.9
107.08591	100.0
108.08955	2.8
109.06521	7.6
109.10154	8.4
111.07330	1.1
111.08073	3.6
117.06999	8.1
119.08582	14.7
121.06470	3.5
121.10130	12.1
121.43900	1.1
121.44854	1.1
123.08077	3.0
123.11736	2.7
125.08749	2.4
125.09628	35.0
131.08557	11.8
133.10124	16.0
135.08060	9.4
135.11684	5.9
137.09618	1.9
141.06978	1.4
143.08598	2.4
145.10112	16.8
147.11690	13.1
149.09607	24.4
149.13240	1.8
151.11172	2.5
153.09131	7.0
157.10138	3.1
157.12177	2.4
159.11687	9.5
161.09583	2.3
161.13272	5.7
163.11157	3.7
165.09048	2.2
165.12788	1.6
169.12231	1.7
170.11194	1.4
171.10233	2.5
171.11656	3.3
173.13283	3.4
177.12848	2.1
179.14320	1.6
181.12137	2.2
183.11737	3.2
185.13155	1.6
187.14828	1.3
195.40456	1.2
197.13283	2.5
199.14865	1.6
203.12776	23.9
203.14529	2.2
215.17987	2.1
229.19498	2.7
237.20389	1.1
237.97173	1.1
239.17900	6.2
247.20522	1.9
257.19000	11.6
266.96249	1.3
267.53543	1.3
275.20047	60.0
276.20331	1.5
281.95575	1.4
286.45398	1.4
289.21555	9.9
289.93396	1.1
307.19299	1.6
307.22675	10.1
307.28214	1.6
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
53.03941	9.9
55.01872	25.5
55.05512	41.0
56.96548	3.3
57.03430	8.2
57.07072	4.0
59.04982	1.9
63.59033	1.9
63.76122	2.1
65.03932	3.6
67.05505	52.1
69.03423	7.5
69.07064	31.0
71.04984	9.6
71.34743	3.4
71.35063	2.4
76.02274	1.9
79.05062	4.2
79.05492	59.2
81.03418	13.8
81.07054	70.6
83.04984	15.1
83.08147	2.2
83.08614	33.3
85.06542	4.6
91.04946	1.8
91.05473	48.5
93.07042	55.0
93.49276	2.3
95.04969	21.4
95.08044	3.3
95.08608	37.6
97.06529	29.7
97.10160	21.5
99.08102	2.8
103.05430	2.5
105.07030	43.9
107.04942	24.2
107.07864	3.1
107.08595	57.2
109.06517	26.8
109.10173	17.9
111.04453	4.4
111.08094	7.2
111.11718	3.1
117.07022	17.6
119.08582	29.0
121.05746	1.9
121.06496	11.3
121.10151	20.2
123.04411	2.6
123.08083	10.6
123.11725	7.0
125.09610	17.1
128.00305	2.1
129.07014	6.4
131.08571	22.0
133.06520	4.1
133.10132	24.6
135.08038	13.2
135.11668	13.6
137.09605	5.1
139.11160	2.1
141.07010	2.1
143.08545	4.9
145.06450	3.3
145.10117	20.5
147.08035	4.6
147.11682	17.9
149.09618	29.0
149.13304	5.4
151.11118	10.3
153.09013	2.8
155.08543	6.0
157.10124	5.8
159.08043	4.1
159.11691	17.1
161.09633	2.0
161.13278	6.0
163.07503	7.3
163.11191	19.9
163.14879	3.5
165.09116	2.6
165.12749	6.1
169.10176	3.2
171.11696	6.1
173.09691	4.3
173.13268	10.8
175.11128	3.2
177.12743	7.4
187.11253	4.5
187.14769	3.6
189.12694	3.0
193.12245	4.6
197.13307	4.4
201.12790	3.3
203.12752	11.8
207.13910	2.6
215.14401	2.7
215.17778	2.2
219.13881	4.1
229.19463	7.4
233.15332	4.4
239.17973	6.6
241.14236	2.4
247.20638	9.3
257.19046	14.1
261.03098	3.5
261.18546	3.6
267.09045	6.3
275.20062	100.0
276.20349	3.7
278.93649	2.1
283.13818	4.1
285.10132	8.6
289.17969	18.0
289.21558	6.6
307.09528	4.7
307.19061	7.6
307.22678	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01887	4.6
55.05510	14.5
57.03437	3.4
57.07071	1.7
65.03941	1.7
67.05507	27.6
69.03432	1.7
69.07070	11.9
69.68896	6.6
71.04993	2.4
75.85320	0.9
79.05499	36.3
81.03423	4.2
81.07060	100.0
82.07401	1.1
83.04993	4.6
83.08624	9.6
85.06524	2.1
91.05488	21.3
92.05827	1.0
93.07049	18.1
95.04963	13.4
95.08610	14.2
97.06537	6.4
97.10175	3.0
98.21447	1.8
99.08109	1.6
105.07039	19.7
107.04977	6.4
107.08610	13.9
109.02938	1.0
109.06521	51.5
109.10159	6.6
111.08095	2.7
117.07034	6.5
119.08593	15.6
121.06469	4.7
121.10162	10.3
123.08080	8.4
123.11691	3.5
124.11366	1.0
125.09607	1.9
129.07040	2.0
131.08586	9.5
133.10159	12.8
135.08080	3.3
135.11685	6.1
137.09628	2.3
143.08571	2.0
145.06470	1.4
145.10136	9.5
147.08081	2.4
147.11693	14.5
149.09605	5.7
149.13249	6.8
151.11140	5.0
155.08534	1.2
157.10115	1.9
159.11687	5.4
161.09601	1.0
161.13222	2.2
163.11205	6.4
163.14848	2.9
165.12762	5.1
171.11713	1.9
173.09590	2.1
173.13274	3.5
175.11224	3.5
175.14899	1.6
177.12714	2.2
179.14357	1.1
191.14293	2.1
193.12274	3.3
193.97261	1.2
205.15894	1.3
229.19527	4.5
239.18140	2.5
247.20595	5.6
257.18961	4.0
260.91855	1.1
275.20071	49.2
276.20486	2.4
307.22656	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	307.2055
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
51.25537	2.2
53.03931	3.2
55.01865	6.6
55.05516	11.7
56.96547	3.1
57.03420	4.5
65.03928	2.8
67.05504	21.3
69.03437	3.7
69.07059	9.8
69.99539	2.8
70.32187	9.1
70.38611	2.1
71.05005	4.4
73.77740	2.2
79.05499	24.4
81.03381	3.9
81.07065	29.9
83.04990	3.8
83.08610	5.5
91.05483	23.1
93.07050	23.6
95.04974	26.2
95.08614	13.5
97.06528	15.5
97.10151	4.3
98.20737	2.7
103.05478	2.5
105.07030	38.4
105.36899	2.3
107.05014	3.2
107.08578	15.1
107.93473	2.3
109.06518	9.3
109.10156	6.5
111.08079	5.1
116.06181	3.4
117.06982	13.6
119.08590	38.2
121.06487	5.4
121.10155	11.6
123.08105	3.5
125.09646	3.4
128.06253	13.9
129.06981	8.9
130.07771	4.3
131.08556	23.3
133.10133	47.9
135.08038	3.7
135.11703	4.9
141.06985	4.8
142.07822	12.2
143.08554	36.3
144.09380	6.9
145.06488	3.6
145.10123	22.3
147.08037	10.3
147.11702	8.2
149.09595	5.7
154.07794	4.6
155.08551	9.0
156.09344	10.3
157.10135	20.9
158.10939	4.8
159.08122	4.8
159.11674	22.5
161.09581	7.4
162.02092	2.2
165.06943	4.4
167.08592	11.4
168.09392	3.2
169.10135	17.8
170.10876	5.6
171.11679	18.6
173.13260	9.2
178.07797	4.4
179.08604	6.6
180.09224	3.7
181.10129	8.4
182.10954	13.8
183.11722	14.5
185.13252	4.2
187.11169	6.8
187.14706	2.8
191.08514	3.3
192.09326	5.2
193.10112	12.3
194.10933	9.4
195.11665	12.7
196.12564	3.1
197.09737	2.5
197.13228	18.7
199.11256	2.6
199.14827	7.9
203.08667	3.7
205.10220	4.5
206.10953	12.0
207.11734	13.6
208.12540	11.0
209.13310	14.2
211.14832	8.9
217.10162	3.3
218.10893	5.3
219.11783	8.0
220.12547	5.1
221.13254	21.2
222.14000	3.9
223.14764	13.6
225.16431	4.4
229.10161	3.3
231.11826	2.7
232.12451	6.9
233.13182	13.6
234.13956	7.1
235.14830	5.6
236.15598	3.7
237.16371	7.9
245.13254	4.2
246.14133	3.8
247.14963	11.4
248.15628	7.4
249.16405	7.5
251.14285	7.4
251.17892	3.2
259.14859	10.3
260.15677	2.9
261.02972	2.5
261.16260	5.3
263.17960	20.5
265.15872	4.5
271.16879	2.9
274.17181	9.4
275.20120	6.9
279.21036	6.5
284.14160	5.7
289.19543	17.5
302.15207	2.6
307.09650	2.4
307.20560	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82705	0.6
54.75546	0.6
69.03442	1.5
70.05639	0.7
70.06584	1.4
71.35250	1.3
71.35608	0.7
75.17563	0.7
76.02242	0.9
81.03431	1.1
84.04523	1.0
84.08112	0.9
85.02920	1.9
87.00836	2.5
91.05492	0.9
94.06568	3.7
95.04976	0.7
97.02918	1.2
99.04489	0.8
101.13448	0.7
103.03953	1.1
103.05476	0.7
107.05056	0.8
107.08585	0.6
109.02857	0.9
119.04966	1.8
122.06038	0.7
123.04414	1.8
127.03922	1.8
130.06529	92.5
131.06876	2.2
132.04459	24.6
133.06482	0.9
139.03891	2.5
140.06973	0.7
145.04965	0.7
145.06406	0.7
146.06012	4.3
147.04407	5.8
157.07619	78.1
158.06017	100.0
159.06360	2.6
161.05939	1.2
163.03922	3.0
173.07129	3.8
175.08676	47.4
176.09084	1.0
187.07512	0.6
197.07118	2.6
198.58813	0.7
199.08679	2.7
201.06606	7.1
203.08167	5.4
221.09267	3.3
225.06653	0.9
231.06491	1.0
243.07706	10.6
245.09219	2.5
247.07201	2.4
261.08719	38.9
262.09061	1.5
271.07144	2.2
273.72403	0.7
289.08231	7.9
289.11212	1.2
306.16843	0.7
307.09192	3.5
307.12839	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
56.96559	1.8
60.89447	0.8
67.01872	0.9
67.05494	1.8
68.99780	1.7
69.03429	5.1
69.07079	0.8
70.06583	4.8
70.38314	1.8
70.38705	1.7
71.04961	1.4
72.08154	2.5
73.02880	1.0
74.06070	1.7
75.37737	0.8
79.05472	2.0
81.03422	2.6
81.07028	1.6
82.02926	2.0
84.04505	3.4
84.08140	2.1
85.02909	6.5
86.09708	2.6
87.00833	2.5
89.03949	1.1
91.05484	3.7
92.10986	0.9
93.07040	2.1
94.06570	3.4
95.04953	2.1
97.02885	3.5
97.06576	1.0
98.97614	1.4
99.04432	2.4
103.03966	3.1
103.05467	1.2
107.04929	1.6
107.08618	1.1
109.02860	2.9
111.04440	2.1
115.05463	3.1
116.06168	1.0
117.07005	2.2
119.04954	5.3
121.02860	0.9
123.04429	9.9
124.04784	1.4
127.03915	6.5
128.06235	1.6
129.10278	0.9
130.06525	96.2
130.30391	1.0
131.04936	2.7
131.06873	2.2
131.08530	2.1
132.04449	25.9
133.02905	1.4
134.99678	1.3
135.04425	3.8
136.07510	1.0
137.02324	2.3
137.05994	1.7
139.03902	11.8
141.07008	1.1
143.05647	1.0
144.05699	1.4
145.06493	5.1
146.06024	8.2
147.04428	13.1
147.08060	1.2
147.09131	1.3
149.02364	1.4
151.03889	2.1
153.01750	0.9
153.05498	2.3
155.02255	1.7
155.03369	10.5
157.07611	85.3
158.06013	100.0
159.06345	1.8
159.08054	1.9
159.09195	1.3
160.05287	1.1
161.05984	1.4
163.03873	11.4
165.05492	1.7
167.07109	1.6
168.05701	1.1
169.04948	0.9
169.06453	1.0
171.04526	1.7
171.08121	1.7
172.05193	1.5
173.05913	2.3
173.07198	4.4
173.09506	1.1
175.08681	47.0
176.07159	1.9
177.05450	2.7
181.05022	1.1
181.06517	1.1
185.05945	1.6
187.07567	2.3
189.09061	1.2
190.06215	1.5
191.07027	2.0
192.07808	1.5
197.07159	2.8
199.03857	1.0
199.07359	1.5
199.08870	1.7
201.06664	6.7
201.09093	0.9
203.08229	6.1
205.08511	6.9
206.09505	1.0
207.10242	2.2
211.07550	1.3
213.05467	1.2
215.06609	1.2
217.08604	1.9
219.10237	2.4
221.09113	4.4
223.09705	1.4
227.07051	2.7
229.04843	1.9
231.10228	1.4
233.07996	3.3
235.09666	1.5
243.07729	11.6
245.09207	3.2
247.07242	1.9
247.09671	1.7
249.11107	1.1
259.06036	1.0
259.09637	3.7
261.08749	37.7
261.11591	3.4
261.12830	1.8
262.08960	1.1
271.07053	2.5
279.13428	1.4
289.07974	8.6
289.11429	2.9
299.79498	0.9
307.05634	1.0
307.08911	2.8
307.12515	6.8
307.16095	1.2
317.99939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	3.7
70.78698	12.3
82.25748	3.8
122.07174	7.9
135.90405	4.4
143.05658	100.0
144.06006	17.6
145.06113	24.0
164.08191	6.0
213.45116	4.1
234.95924	4.8
307.07443	61.6
307.15796	4.6
314.15717	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0812
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
55.01859	1.0
55.05512	0.3
56.96553	0.7
65.03943	1.5
67.05513	0.6
68.99789	0.8
69.03426	0.8
69.58311	0.3
70.06583	0.3
70.24500	0.8
71.01337	0.3
71.04979	0.3
77.15328	0.3
81.03407	0.8
82.04162	0.3
83.04969	1.3
85.02921	0.7
86.02352	0.2
87.00807	0.4
91.05460	0.4
93.03401	1.2
93.07052	0.3
95.04961	0.4
97.02901	0.6
99.88370	0.3
103.05504	0.4
107.04948	0.8
109.02878	0.3
111.03700	0.4
111.04443	7.8
117.03295	0.4
119.04942	0.3
123.04433	3.0
124.07598	0.4
127.03915	0.9
128.02185	0.3
129.06941	0.3
130.06516	6.3
130.07468	0.4
131.04918	0.5
132.04446	1.9
133.02800	0.3
135.04419	4.5
137.02338	7.2
137.03397	0.6
138.09111	0.3
139.03896	100.0
140.04262	1.8
140.07050	0.3
145.06360	0.3
147.04422	1.0
151.03900	3.9
152.07074	0.4
153.05475	0.4
155.03391	0.6
157.07610	5.8
158.06007	7.2
163.03877	2.9
168.06592	0.3
175.08662	3.1
177.05463	0.6
181.04932	0.6
200.09433	0.5
201.06718	0.4
203.08141	0.3
215.11794	0.7
241.09692	0.3
242.10469	0.3
243.07671	0.8
243.11333	1.8
261.08582	3.2
261.12231	0.6
271.10651	0.6
289.07040	7.7
289.11746	2.9
290.07474	0.3
307.09039	0.4
307.12827	2.7
307.16315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.00317	1.5
53.03939	2.4
55.01868	4.0
55.05510	21.6
56.96563	1.9
57.03424	5.0
57.07079	8.5
59.05008	8.4
65.03918	2.5
67.05171	2.3
67.05504	30.3
69.03431	10.0
69.07069	63.0
69.73386	8.9
70.06580	9.1
71.04983	6.6
71.08622	2.4
79.05491	24.6
81.03403	4.6
81.07058	100.0
83.04969	5.6
83.08622	8.8
85.02897	2.2
85.06537	10.2
86.41451	1.5
87.00800	1.7
87.04456	3.8
88.07626	7.5
91.05486	22.6
93.07041	87.4
94.07388	1.7
95.04964	61.8
95.08599	63.5
97.02880	2.1
97.06520	13.0
97.10166	6.1
98.97562	3.4
99.08081	4.6
102.09162	3.0
103.05482	1.6
105.07027	42.9
107.08594	47.5
109.02840	2.2
109.06522	14.6
109.10147	26.5
109.10824	2.1
111.08058	5.8
111.11710	9.1
117.07017	3.6
119.07800	2.5
119.08590	32.3
121.06501	2.2
121.10139	40.3
123.04420	1.5
123.08070	5.3
123.11707	33.3
125.09629	5.3
129.06985	3.5
130.07813	1.6
131.03363	4.1
131.08563	10.8
132.10199	1.8
133.10133	49.1
135.08058	3.4
135.11693	19.8
137.05971	2.1
137.09669	3.5
137.13252	7.7
139.03905	3.3
139.11172	10.9
143.05643	16.5
143.08551	2.9
145.10112	12.5
147.11694	22.7
149.09605	5.8
149.13251	26.8
151.11137	3.7
153.01628	1.7
157.10121	7.1
159.11700	14.2
161.09616	3.5
161.13252	9.6
162.05585	1.5
163.11177	4.7
163.14841	6.0
165.12755	5.9
167.10661	4.8
171.11682	4.4
173.13281	6.8
175.11256	4.0
175.14833	5.9
176.14360	6.0
177.12704	3.2
177.16399	3.1
185.13298	2.1
187.14833	4.4
188.07149	2.0
189.16402	4.8
193.15909	2.9
199.14799	4.1
200.20102	14.1
201.16367	3.9
203.17953	6.0
211.16925	2.9
213.16322	4.5
215.17937	2.3
219.17313	1.4
227.17915	4.4
229.19531	2.7
243.21036	2.1
244.22688	5.6
246.14929	12.2
247.20619	2.0
249.18387	1.7
269.22659	5.9
277.08722	1.6
287.13782	4.1
287.23715	14.8
305.21423	1.8
305.24716	41.6
306.16852	5.5
306.26419	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
53.60002	0.4
56.14857	0.4
58.40855	0.4
58.73328	0.4
69.07076	0.9
70.23568	2.1
71.22439	0.4
79.05486	0.6
81.07044	1.2
91.05501	0.6
94.04172	1.6
100.07593	0.5
107.08605	0.6
122.03650	6.5
128.92371	0.4
133.10109	0.6
135.11690	0.9
137.05974	100.0
138.06287	0.6
153.12730	1.3
170.15382	1.7
182.15356	2.4
232.81790	0.4
302.73392	0.4
306.20587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10290	0.5
56.96542	0.7
70.07749	1.1
76.78288	0.5
98.97562	0.7
101.00893	0.8
104.27061	0.5
116.98604	1.4
119.01907	5.2
134.99719	0.8
137.02963	2.8
141.38876	0.5
153.00851	0.5
158.99699	0.9
177.00943	12.6
177.02417	1.0
190.69853	0.5
195.02141	0.7
217.04024	1.4
219.01991	19.5
220.02080	1.0
221.01794	1.4
223.37918	0.5
225.00992	1.4
243.01988	5.6
258.06671	1.4
260.04611	1.1
261.03046	100.0
262.03204	2.9
265.02930	0.5
284.04752	5.2
302.03778	1.7
302.05997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01874	8.0
55.05514	14.0
57.03448	4.9
59.04986	0.9
60.32452	0.6
65.03932	5.0
67.05505	64.2
69.03445	3.6
69.07071	8.8
70.16150	0.7
70.86199	1.7
70.86575	1.4
71.04975	1.1
79.05061	1.5
79.05496	25.8
81.03423	3.3
81.07059	36.9
83.04980	9.8
83.08624	2.7
85.06540	3.2
90.49694	0.7
91.05486	23.2
93.07040	22.5
95.04970	100.0
95.08614	14.0
97.06532	4.3
97.10158	2.7
98.20874	0.8
98.97601	0.9
103.05486	1.3
105.07034	19.8
107.04958	12.1
107.08598	14.7
109.06523	31.5
109.10159	3.8
111.08092	3.8
115.05470	1.4
116.06259	0.9
117.07017	9.1
119.08570	9.1
121.06504	8.9
121.10129	5.9
123.08042	3.9
123.11728	1.2
128.06194	1.8
129.06999	5.6
130.07787	0.9
131.08574	15.9
133.06476	4.9
133.10117	7.1
135.08055	23.9
135.11697	5.0
137.05975	3.1
137.09634	1.0
141.07027	1.1
143.05656	2.8
143.08548	8.9
145.06479	1.9
145.10124	11.1
147.08047	7.1
147.11690	3.6
149.09610	5.3
149.13264	3.3
149.14381	0.7
151.11185	0.8
155.08609	1.1
157.10155	3.3
159.08025	1.7
159.11674	3.9
161.09637	5.2
161.13248	2.1
163.11212	4.4
169.10127	2.2
171.11687	2.2
173.13232	1.4
175.11171	3.5
177.12772	3.6
181.10066	1.0
183.11713	1.1
185.09560	1.0
185.13301	2.6
187.11208	2.9
195.11720	1.4
199.11136	1.0
199.14786	1.8
201.12819	1.7
205.12303	2.3
213.16302	0.9
217.15904	3.3
220.34920	0.8
227.18005	2.4
229.15936	0.8
237.16461	2.2
245.19019	3.2
255.17439	3.1
273.18518	27.5
287.19983	1.3
305.21106	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	305.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.9
55.01863	8.4
55.02637	2.6
55.05513	53.9
57.03442	6.6
57.07075	6.3
59.04975	3.8
65.03939	5.4
67.05509	69.0
68.05833	3.5
69.03427	7.8
69.07069	30.1
70.06594	5.1
70.22178	2.5
70.27702	2.5
71.04990	5.3
72.07259	2.6
79.05498	77.7
81.07059	89.3
82.07412	3.5
83.05001	9.9
83.08628	12.4
85.06551	7.2
88.07646	6.4
91.04908	3.7
91.05483	91.0
93.07050	93.0
95.04974	18.0
95.08610	48.6
97.06537	11.9
97.10168	14.2
98.06060	3.9
98.20791	7.4
99.06442	2.7
103.05470	4.8
105.07034	81.9
106.08675	3.1
107.04942	13.0
107.08597	46.8
109.06520	12.5
109.10178	13.4
111.08117	6.7
115.05485	8.8
115.07607	2.7
116.06228	3.3
117.07027	44.3
119.08588	51.0
121.06507	11.9
121.10135	33.9
123.08050	14.5
125.09619	7.1
128.06232	19.5
129.07005	24.1
130.07797	8.7
131.08577	100.0
133.06511	9.7
133.10161	27.7
135.08047	13.7
135.11713	11.1
137.06017	5.3
137.09622	6.7
139.11206	10.6
141.06978	7.8
142.07797	5.8
143.05670	9.7
143.08565	77.9
144.09306	2.9
145.06560	3.2
145.10127	76.6
147.08057	12.9
147.11710	13.6
149.09619	8.5
149.13232	5.8
155.08563	7.4
157.10164	26.2
159.08054	3.9
159.11705	24.0
161.09628	16.3
161.13361	3.9
163.11246	6.2
167.08617	5.8
169.10126	15.9
171.11664	16.6
173.09711	3.4
173.13321	6.0
175.11229	6.4
177.12715	4.0
181.10159	9.9
183.11703	8.2
185.13280	7.6
195.11745	13.1
199.11192	3.7
199.14943	3.8
209.13185	2.8
211.14928	5.2
213.12770	6.7
213.16385	3.0
215.16660	3.2
222.14014	3.3
227.17876	3.8
237.16446	15.9
245.19073	4.0
255.17424	13.2
273.18536	37.9
277.21725	2.8
287.20181	5.8
305.21082	16.6
305.26721	32.2
305.31467	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
55.05513	1.3
56.05017	0.6
56.96554	0.4
57.03431	0.9
57.07087	0.3
61.02910	0.3
61.94513	0.2
65.03950	0.4
67.05508	2.1
68.99788	0.3
69.03417	1.2
69.07056	1.3
70.06587	0.3
70.49682	0.9
71.05030	0.2
76.71888	0.2
79.05506	1.1
81.03403	0.6
81.07048	3.1
82.39149	0.2
83.04958	0.3
83.08607	0.5
84.04509	8.1
84.08147	0.4
85.02907	14.5
85.06544	0.8
86.06077	0.4
86.09723	0.3
87.04460	0.5
87.06715	0.7
91.05490	1.3
93.07034	2.3
94.06586	0.3
95.01352	1.7
95.04973	1.1
95.08625	2.0
97.02925	0.3
97.06541	0.4
97.10177	0.2
98.97589	0.6
99.04467	0.3
102.05542	6.6
105.07027	1.6
107.04956	0.6
107.08587	1.5
108.08164	0.3
109.06538	0.4
109.10162	1.9
112.03974	1.0
113.02377	1.4
114.05538	0.3
116.98624	0.4
118.06541	7.4
119.04964	0.3
119.08597	1.3
119.23815	0.2
120.04461	0.4
120.08144	0.3
121.06509	0.4
121.10150	1.3
123.04448	1.2
123.08043	0.3
123.11713	0.9
124.07582	1.0
125.09622	0.3
127.03984	0.2
129.07011	0.3
130.05003	40.8
131.08562	0.5
132.08073	2.8
133.08948	1.3
133.09964	1.1
134.09659	0.6
134.99622	0.3
135.08014	0.4
135.11702	1.0
136.07573	5.1
137.02362	0.5
137.06010	0.4
138.05516	0.4
139.03899	0.6
139.11145	0.4
140.07062	0.6
142.08685	0.3
143.05647	14.5
144.08142	0.3
145.10133	0.7
146.09654	2.4
147.04477	0.3
147.10493	0.3
147.11676	0.7
149.01248	0.3
149.02335	0.3
149.09627	0.3
149.13312	0.6
151.03883	0.3
151.11226	0.3
152.07068	1.0
153.01830	0.7
153.05499	0.7
156.03542	0.3
157.10165	0.3
158.99648	0.3
159.11705	0.6
160.11177	0.3
161.05942	0.2
161.09569	0.3
161.13319	0.3
163.11186	0.3
164.07068	3.1
164.10770	0.4
165.12805	0.2
167.07098	0.4
167.57549	0.2
173.13283	0.3
176.14348	100.0
177.00731	0.6
177.14665	2.2
182.08159	0.8
191.02319	0.3
192.10213	0.6
201.05449	0.3
202.15895	1.1
207.06734	0.3
213.16463	0.3
216.13867	0.6
217.03209	0.4
224.08046	0.9
231.05579	0.3
246.14948	0.3
259.09811	0.4
259.14536	0.3
260.09015	0.4
269.12817	0.4
269.22784	0.3
287.09818	0.8
287.13916	1.3
287.23679	0.7
288.15921	5.8
305.05502	3.6
305.11050	1.1
305.14993	1.6
305.18579	23.4
305.24643	1.7
306.19156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.2
56.96560	3.9
57.03425	1.5
62.72511	1.1
67.05505	3.0
68.99794	1.9
69.03416	4.5
70.06576	6.1
71.04971	1.6
71.59051	1.7
71.74440	1.3
72.08154	1.8
73.02919	1.6
74.06069	3.3
79.05491	2.5
81.03402	2.7
81.07069	2.7
83.05002	1.5
84.04536	1.7
84.08141	2.4
85.02897	5.7
85.06532	1.4
86.09708	3.3
87.06706	5.6
88.03959	1.4
89.85636	1.3
91.05484	2.5
92.55521	1.2
93.07072	2.1
94.06575	5.1
95.04950	4.3
96.10054	1.2
97.02889	4.6
97.03999	1.3
97.06522	1.4
98.97572	2.6
99.04485	1.4
103.05504	2.0
105.07050	1.5
107.08609	2.7
108.08113	16.9
109.02886	2.6
110.06023	5.7
111.04430	3.2
116.07069	1.5
116.98612	4.1
117.06955	1.8
118.06546	4.8
119.04912	2.6
119.07313	3.7
120.08109	8.2
121.02861	2.1
122.06032	6.2
123.04463	7.3
123.06796	2.1
124.07574	8.3
125.09580	3.9
127.03909	6.0
129.06989	1.4
130.06506	2.7
131.04961	1.7
133.02844	2.9
134.99667	4.4
135.04417	3.0
136.07584	82.0
137.02328	3.3
137.05980	4.3
137.31960	1.5
138.09174	1.6
139.03915	11.5
139.04932	2.1
142.08649	9.1
143.05649	100.0
143.10677	3.6
143.11765	1.5
146.06021	8.2
147.04411	4.4
148.07581	4.2
149.01329	1.5
149.02364	7.3
149.05946	3.2
151.03914	3.5
152.07071	2.2
153.01872	8.2
154.08603	5.0
155.03369	5.0
157.06421	1.7
158.05997	3.5
160.07455	1.6
161.07112	1.7
163.03893	4.0
164.07069	34.1
165.05435	2.3
168.17522	1.4
171.02905	2.3
171.04379	2.1
172.03981	1.5
173.07152	2.3
173.10776	2.8
174.07777	1.6
175.03868	1.4
177.03381	1.4
181.08916	2.1
189.05421	2.0
195.02878	2.0
195.09227	2.1
196.11316	2.2
197.10805	2.5
199.08708	1.6
201.05553	1.6
201.10297	3.9
203.03358	3.2
211.08559	2.2
212.09384	1.5
213.05450	3.0
213.10196	6.3
213.13834	4.1
219.01869	1.6
224.10783	2.8
225.10216	4.4
226.11046	7.9
231.06541	5.5
239.11717	1.5
241.04770	1.5
241.09775	4.2
241.10995	1.6
241.13390	20.9
254.10417	3.0
259.06097	9.1
259.14438	22.9
261.07474	1.6
269.12878	38.0
277.15247	1.8
287.05466	4.5
287.10556	2.2
287.13901	35.5
288.14108	1.7
305.11212	5.8
305.14929	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.05514	1.3
67.05517	2.6
69.03442	0.9
69.07070	1.2
69.67295	2.4
69.67712	0.6
77.03951	0.4
79.05500	1.6
81.03404	0.5
81.07056	4.1
83.08649	0.6
84.08140	1.0
85.02900	0.6
85.06546	0.6
87.06709	0.9
91.05478	5.1
93.05800	0.6
93.07039	4.9
94.06567	1.1
95.04976	2.9
95.08604	1.7
96.08141	0.9
97.06551	0.8
98.97592	0.5
100.54453	0.5
101.03529	0.4
105.07026	1.6
107.08573	2.1
108.04502	0.4
108.08129	2.3
109.06515	0.4
109.10135	2.2
116.98602	0.5
119.08579	1.1
121.10149	1.5
122.06022	3.1
123.04401	0.9
123.11693	0.6
124.07589	9.3
125.09634	1.2
126.05531	1.7
127.03930	0.5
129.07008	0.4
131.08597	0.7
133.10172	0.7
134.41820	0.4
135.08078	0.4
135.11719	0.6
136.07579	100.0
137.05969	0.5
137.07924	1.3
138.09140	0.6
139.04004	0.4
140.07065	1.3
143.05649	12.2
143.06763	0.7
147.11652	1.0
149.13283	0.7
152.07069	18.3
153.01761	0.4
157.10202	0.6
159.11732	0.8
161.13264	0.9
164.07069	75.3
165.07372	0.5
166.08725	0.7
166.53654	0.4
170.08134	4.0
173.01077	0.5
182.08136	15.9
245.12767	0.6
269.22681	0.4
287.13858	4.1
287.23718	0.7
299.55759	0.4
305.10974	0.6
305.15030	0.8
305.18146	0.5
305.24661	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1091
Annotation	Vicine
Peak:m/z	Relative Intensity
54.31939	0.1
56.96537	0.1
57.03429	0.2
61.02912	0.4
63.66344	0.1
69.03429	0.6
69.08875	0.1
71.20067	0.2
73.02908	0.2
73.04044	0.2
73.82133	0.1
81.03424	0.2
81.04531	0.3
85.02909	1.1
87.04511	0.1
87.06712	3.3
92.01186	0.1
95.06055	0.2
97.02870	0.2
98.97589	0.1
115.06158	0.1
121.68024	0.1
127.03883	0.2
141.04057	0.3
143.05637	100.0
144.04169	0.1
144.06134	0.8
145.04953	0.2
150.26944	0.1
196.52727	0.1
200.48927	0.1
216.77684	0.1
231.82426	0.1
305.06293	0.3
305.10889	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.3
61.41011	0.2
69.03414	0.6
71.20239	0.3
78.25038	0.2
81.03412	0.3
85.02901	1.1
87.06714	3.1
97.02866	0.4
103.08513	0.2
107.00907	0.2
109.95173	0.2
124.23074	0.2
141.04109	0.3
143.05640	100.0
144.05994	0.8
214.17410	0.2
305.10910	3.0
323.06418	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	305.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32209	0.2
57.03414	0.3
59.26038	0.2
61.02917	0.2
69.03416	0.6
70.55080	0.3
70.55448	0.4
73.04028	0.2
75.96342	0.2
81.03429	0.2
85.02907	1.4
87.06715	3.9
89.07469	0.1
92.81475	0.2
97.02868	0.4
98.97610	0.2
101.03487	0.2
104.90668	0.1
124.46848	0.2
126.02994	0.2
127.03892	0.3
127.76821	0.1
134.46150	0.2
141.04062	0.3
143.05638	100.0
144.05959	0.7
219.09900	0.2
270.47110	0.2
305.10907	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	305.1016
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
55.01857	1.6
55.05493	0.9
56.90985	0.4
56.96555	1.2
57.03434	0.5
65.03928	0.9
65.80231	0.5
67.05489	1.9
68.99778	1.8
69.03434	1.2
69.07055	1.0
70.06579	0.7
70.55196	1.7
79.05494	1.1
80.66318	0.5
81.03409	0.6
81.07072	0.6
83.04975	1.4
84.08125	0.9
85.02909	1.4
86.09699	0.9
87.06742	1.2
91.05477	2.7
93.03421	0.6
93.07016	0.7
94.04211	0.9
94.06541	0.6
95.04970	2.4
95.28468	0.5
97.02874	1.3
98.97581	1.5
105.07014	1.1
107.04953	1.2
107.08559	0.7
109.02867	0.8
111.04437	3.5
115.05437	1.0
116.98613	1.4
119.04934	11.7
119.08521	0.7
121.02850	0.5
122.03658	4.0
122.06016	1.4
123.04448	1.0
127.03887	0.9
131.04929	0.9
133.06477	2.2
134.99664	1.4
135.04395	0.9
135.08035	0.6
136.07529	0.5
137.05977	74.5
138.06328	1.4
139.03899	100.0
140.04231	1.3
140.07056	0.7
143.05675	30.7
147.04405	14.0
149.02310	0.7
151.03902	1.4
152.07106	0.6
153.01836	1.0
153.05426	0.7
160.05267	0.6
161.05971	3.4
163.03929	1.9
164.07082	0.9
166.08609	1.3
167.06960	0.6
175.07559	4.5
179.07037	13.3
181.05003	1.3
185.05899	0.9
187.03876	0.7
189.05498	1.1
191.07036	0.8
193.08646	2.9
203.07083	1.6
213.05504	1.6
216.04120	0.8
221.08099	4.1
241.05014	1.6
259.05994	1.5
263.09238	1.6
269.12918	1.7
281.10690	0.9
287.09222	1.4
287.13782	2.4
305.06451	2.5
305.10416	3.4
305.15317	2.5
305.18539	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1017
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
55.01875	1.3
55.05534	0.5
56.78930	0.5
56.96556	1.1
57.29527	0.5
65.03929	1.5
67.01860	0.6
67.05505	1.3
68.99788	1.9
69.03426	1.1
69.07067	0.7
70.06584	0.6
71.59977	0.9
71.60324	0.4
76.03985	0.5
79.05495	1.1
81.03408	0.5
81.07063	0.5
83.04980	0.8
84.09371	0.4
85.02915	1.0
86.09700	0.6
87.06730	0.5
89.62350	0.4
91.05484	3.6
93.03413	0.8
94.04214	0.8
94.06576	0.6
95.05000	2.5
97.02869	1.3
98.97592	1.6
105.03357	0.6
105.07034	0.9
107.04987	1.2
109.02889	0.7
111.04452	3.5
115.05447	1.6
116.98621	1.5
119.04948	12.7
122.03663	3.0
122.06049	0.8
123.04460	1.4
123.08076	0.4
124.07623	0.5
127.03920	1.3
131.00162	0.6
132.05711	0.5
133.02859	0.6
133.06493	1.6
134.99663	0.7
135.04405	1.1
136.07594	0.8
137.05984	80.8
138.06310	1.6
139.03905	100.0
140.04245	1.8
141.06876	0.4
143.03430	0.4
143.03835	0.9
143.05727	13.8
147.04414	12.2
147.05536	0.9
149.02370	0.5
151.03909	1.0
151.07565	0.8
153.01868	0.6
153.05508	0.8
159.04341	0.5
160.05151	1.1
161.05969	3.5
163.03906	1.8
164.07098	0.7
166.08665	0.6
167.07033	1.1
171.04384	0.6
175.07542	4.0
177.05591	0.7
178.01744	0.5
179.07048	12.3
179.08577	0.9
181.04936	0.9
185.05920	1.1
189.05392	1.0
191.06952	0.8
193.08585	2.5
197.06139	0.4
203.02309	0.8
203.06966	0.9
213.05457	1.1
216.04259	0.8
217.04994	0.5
221.08070	4.2
229.04898	0.6
231.06686	0.6
241.04947	1.0
259.06198	1.2
263.09296	1.2
269.12881	1.7
280.06653	0.5
287.05579	1.0
287.09335	1.7
287.13889	2.3
287.17575	0.4
305.06473	2.6
305.10333	3.0
305.14862	2.3
305.18127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97903	0.6
53.03931	0.7
55.01853	1.5
55.05506	1.1
56.96549	1.0
60.04509	0.7
60.05635	1.7
65.03948	2.9
67.01866	5.8
67.05500	3.1
68.99792	6.9
69.03432	4.6
69.07053	1.4
70.06588	2.1
70.07378	0.7
71.04977	0.8
71.08607	0.8
71.59899	0.7
72.08137	1.1
74.06084	0.6
79.01804	0.6
79.05490	1.3
81.03410	2.6
81.07050	0.7
81.42981	0.6
83.01332	1.2
84.08132	0.9
85.02905	4.1
86.03212	0.8
86.09724	1.2
87.06711	2.4
89.03940	0.8
91.05474	1.2
93.03398	0.8
93.07030	0.9
94.06567	1.6
95.04955	4.5
97.02879	4.6
97.06520	1.0
98.97602	1.4
105.03391	2.1
105.07019	0.8
107.04929	1.4
108.04497	1.3
109.02862	1.9
111.00807	2.1
111.04447	8.1
112.87242	0.6
115.05434	1.0
116.98599	0.8
119.04964	1.6
121.02862	12.0
122.06032	13.8
123.04427	65.3
124.04810	1.0
124.07570	0.9
125.02361	1.2
126.03099	0.7
127.03915	12.7
128.06203	0.6
128.60638	0.6
129.07002	2.4
133.02847	3.6
133.06424	0.7
135.04440	4.4
136.07594	3.1
137.02345	3.2
137.05992	6.1
138.09160	4.6
139.03902	16.9
139.05440	0.7
141.07085	0.8
142.08646	1.0
143.05643	66.6
143.08963	2.1
145.06496	0.8
147.04404	4.9
149.02338	67.9
150.03047	2.0
150.05508	7.6
151.03879	6.3
152.07033	1.2
153.01826	100.0
154.02318	0.7
155.03432	4.9
157.06458	5.2
158.06041	1.2
161.02336	5.6
161.05986	1.9
163.03932	2.2
163.07605	0.9
164.07069	1.5
167.03412	15.5
168.06551	2.4
169.06784	1.3
171.02901	21.6
171.04282	1.0
173.07162	1.3
175.03941	3.5
175.07544	2.4
177.00723	0.7
177.05585	1.2
179.03421	5.3
179.07036	0.6
184.09628	1.1
185.05956	10.0
185.09985	2.3
189.05444	2.0
193.05061	0.7
195.02872	16.6
197.05872	1.3
203.03380	4.1
203.07100	1.9
209.10005	0.9
213.05452	11.6
217.04977	1.9
219.06674	0.7
221.08060	0.9
229.12090	0.7
231.06517	51.3
241.04918	6.6
245.04547	1.4
258.05270	2.4
259.06012	62.7
260.06494	0.8
269.08594	0.6
273.03741	0.6
277.07275	1.1
287.05481	19.8
287.10690	1.2
287.13922	7.3
305.06537	10.4
305.11185	3.4
305.15118	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	305.0656
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.97903	0.6
53.03931	0.7
55.01853	1.5
55.05506	1.1
56.96549	1.0
60.04509	0.7
60.05635	1.7
65.03948	2.9
67.01866	5.8
67.05500	3.1
68.99792	6.9
69.03432	4.6
69.07053	1.4
70.06588	2.1
70.07378	0.7
71.04977	0.8
71.08607	0.8
71.59899	0.7
72.08137	1.1
74.06084	0.6
79.01804	0.6
79.05490	1.3
81.03410	2.6
81.07050	0.7
81.42981	0.6
83.01332	1.2
84.08132	0.9
85.02905	4.1
86.03212	0.8
86.09724	1.2
87.06711	2.4
89.03940	0.8
91.05474	1.2
93.03398	0.8
93.07030	0.9
94.06567	1.6
95.04955	4.5
97.02879	4.6
97.06520	1.0
98.97602	1.4
105.03391	2.1
105.07019	0.8
107.04929	1.4
108.04497	1.3
109.02862	1.9
111.00807	2.1
111.04447	8.1
112.87242	0.6
115.05434	1.0
116.98599	0.8
119.04964	1.6
121.02862	12.0
122.06032	13.8
123.04427	65.3
124.04810	1.0
124.07570	0.9
125.02361	1.2
126.03099	0.7
127.03915	12.7
128.06203	0.6
128.60638	0.6
129.07002	2.4
133.02847	3.6
133.06424	0.7
135.04440	4.4
136.07594	3.1
137.02345	3.2
137.05992	6.1
138.09160	4.6
139.03902	16.9
139.05440	0.7
141.07085	0.8
142.08646	1.0
143.05643	66.6
143.08963	2.1
145.06496	0.8
147.04404	4.9
149.02338	67.9
150.03047	2.0
150.05508	7.6
151.03879	6.3
152.07033	1.2
153.01826	100.0
154.02318	0.7
155.03432	4.9
157.06458	5.2
158.06041	1.2
161.02336	5.6
161.05986	1.9
163.03932	2.2
163.07605	0.9
164.07069	1.5
167.03412	15.5
168.06551	2.4
169.06784	1.3
171.02901	21.6
171.04282	1.0
173.07162	1.3
175.03941	3.5
175.07544	2.4
177.00723	0.7
177.05585	1.2
179.03421	5.3
179.07036	0.6
184.09628	1.1
185.05956	10.0
185.09985	2.3
189.05444	2.0
193.05061	0.7
195.02872	16.6
197.05872	1.3
203.03380	4.1
203.07100	1.9
209.10005	0.9
213.05452	11.6
217.04977	1.9
219.06674	0.7
221.08060	0.9
229.12090	0.7
231.06517	51.3
241.04918	6.6
245.04547	1.4
258.05270	2.4
259.06012	62.7
260.06494	0.8
269.08594	0.6
273.03741	0.6
277.07275	1.1
287.05481	19.8
287.10690	1.2
287.13922	7.3
305.06537	10.4
305.11185	3.4
305.15118	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	304.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05515	7.6
56.05033	2.7
56.96579	1.8
57.03421	0.6
57.05818	0.6
58.06598	1.2
60.04533	0.4
61.02927	0.8
67.66399	0.3
68.05040	0.8
69.03431	1.1
69.07080	0.5
70.06596	3.4
70.27183	1.1
72.08157	100.0
73.02924	0.6
73.08493	0.8
74.06065	0.7
76.04022	0.5
81.03428	0.9
82.06578	0.5
83.05005	0.5
83.06126	0.3
84.04507	13.0
84.08142	1.1
85.02914	2.8
86.06094	2.2
86.09715	2.6
87.04442	0.5
87.06722	1.5
88.04002	0.5
94.06570	0.4
95.04976	0.4
96.04510	0.6
96.08167	0.5
97.02911	1.3
98.97590	2.0
99.04466	0.4
100.03979	0.8
102.05547	1.6
107.04957	0.5
109.02859	0.5
110.06065	0.6
114.05534	6.9
116.07116	0.4
116.98611	1.7
118.08608	0.3
121.02851	0.4
121.91620	0.3
122.02741	0.4
123.04432	0.8
124.07626	1.0
127.03938	0.8
127.08784	0.3
128.07077	0.5
128.98672	0.5
129.06607	0.5
129.10246	0.4
130.05011	2.3
131.00143	0.6
134.99641	0.9
135.04387	0.4
137.05998	0.6
137.10756	0.6
138.09180	1.5
140.07068	0.9
141.05513	0.6
141.06557	0.6
141.10266	1.1
142.04994	0.6
142.08630	1.7
143.05649	35.9
144.06596	0.7
145.05023	0.3
145.09732	0.5
146.99622	0.4
149.01198	0.6
153.01880	0.5
157.09764	0.6
158.99548	0.4
162.07585	0.4
163.03902	0.5
168.11388	0.5
168.41568	0.3
171.11159	0.4
173.01331	0.3
175.10785	15.3
177.00836	0.8
183.11409	1.1
184.09717	1.2
185.09225	11.0
185.10799	0.7
186.07632	0.6
187.10721	0.6
191.02460	0.5
203.10226	0.4
204.11569	0.3
207.01842	0.5
211.10843	0.5
229.11858	8.9
237.02982	0.5
240.13605	0.6
241.11925	0.9
268.12939	0.4
281.01862	0.8
286.14050	5.2
287.12466	0.9
303.42960	0.4
304.11032	1.2
304.15100	3.8
305.12122	8.0
309.08841	0.6
326.44281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51326	1.2
53.03942	2.5
55.01870	2.8
56.05036	1.6
56.49461	1.3
56.96543	1.9
57.03432	5.6
58.06584	2.7
60.04523	10.7
60.05634	1.4
61.02918	6.0
67.01861	1.7
67.05501	1.4
68.99791	1.8
69.03438	16.5
69.07069	45.9
69.84113	2.6
69.84518	5.5
70.06581	2.5
71.01356	1.4
71.08636	22.9
72.08155	2.2
73.02923	3.3
74.04914	1.3
74.06066	1.5
79.28947	1.4
80.05015	4.3
81.03425	10.8
81.07062	1.7
84.04520	5.1
85.02908	74.1
86.02452	7.8
86.06063	5.2
95.04990	1.7
96.04515	2.6
96.08147	3.1
97.02895	50.3
97.06539	8.1
97.07683	1.4
98.97608	2.5
99.04449	3.5
103.03953	6.1
107.04939	1.3
109.02875	15.7
111.04492	1.4
114.09176	19.7
116.98655	1.3
121.02914	2.6
122.06135	1.6
123.04434	14.1
124.04830	1.3
124.07603	1.5
127.03925	17.1
130.06546	1.4
131.04547	3.9
135.04472	1.8
135.05547	1.7
137.02411	1.4
137.05980	1.9
138.09145	6.3
139.03899	5.2
142.08635	100.0
143.05632	12.6
145.04973	5.3
147.04433	1.7
149.02357	11.2
153.01837	19.0
153.56989	1.8
154.04984	1.3
155.03371	2.7
156.10181	3.8
157.06522	1.5
166.08681	1.8
167.08244	1.9
168.06538	12.5
171.02832	2.4
172.09763	1.5
180.10193	1.4
184.09695	83.8
185.05998	1.9
185.09138	9.0
195.02954	1.8
202.05777	1.4
208.09688	17.2
211.27531	1.4
213.05392	2.8
220.09807	2.8
229.11848	1.9
230.05305	1.5
231.06516	10.6
238.10693	3.5
241.05087	1.6
243.13519	1.8
250.10828	10.7
259.06018	13.5
272.12579	1.7
286.13971	8.4
287.05432	4.7
304.05347	31.5
304.08707	1.5
304.13947	4.0
305.05780	1.9
305.15631	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43389	1.2
53.03931	2.5
55.01865	1.7
57.03430	3.8
60.04528	7.7
61.02915	4.2
69.03426	15.0
69.07071	43.8
70.24973	2.9
70.25379	2.1
71.05000	1.9
71.08633	16.8
73.02929	2.4
74.29084	1.3
74.86597	1.4
80.88685	1.3
81.03416	9.1
84.04500	4.8
85.02909	74.4
86.02418	7.7
94.06568	1.7
96.08131	3.2
97.02284	2.6
97.02894	47.6
97.06546	6.3
98.97594	1.9
99.04444	3.1
100.07627	1.3
103.03927	6.3
109.02892	12.6
110.02407	1.8
114.09171	20.0
116.98616	2.3
122.06031	1.4
123.04422	5.3
124.07571	1.9
127.03928	13.2
130.06558	1.2
137.05905	1.4
138.09131	4.5
142.08638	100.0
143.05644	9.3
145.04955	8.4
149.02353	5.1
151.03940	2.0
153.01811	5.3
155.03387	2.3
156.10226	3.1
166.20134	1.2
167.97282	1.2
171.02975	1.6
173.01172	1.6
181.92305	1.6
184.09698	82.9
208.09700	18.9
220.09637	2.3
222.11305	1.3
231.06522	4.7
238.10625	2.0
250.10764	10.6
259.06100	6.9
286.12717	1.5
287.05569	2.1
304.05423	12.1
304.13702	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44559	3.6
56.05032	5.9
56.96568	67.1
67.01050	3.4
67.05513	5.6
69.07067	4.0
70.06588	16.8
71.59101	6.5
72.08138	9.5
74.97610	9.4
79.05502	4.0
80.72964	3.3
81.07061	4.9
84.04493	6.3
84.08147	6.5
84.96056	4.6
85.02904	6.9
86.09711	7.2
91.05463	9.5
92.98645	4.2
93.07053	3.6
97.02814	4.2
97.04095	3.4
97.96790	11.2
98.97585	91.4
100.07611	5.0
114.05525	10.9
115.97817	10.7
116.98623	97.1
118.78013	3.9
123.04419	5.5
124.04841	4.4
128.98488	4.6
131.00174	29.0
133.98898	8.9
134.06024	4.4
134.99655	74.2
138.09149	3.4
140.07036	4.0
142.05132	3.4
142.08658	4.8
143.00163	11.5
143.05725	5.3
147.04436	6.3
149.01233	56.7
149.02341	7.7
150.99149	31.1
151.03918	7.1
153.00739	13.1
161.01248	28.1
161.02376	4.4
163.03932	5.2
167.02238	7.4
169.00256	26.8
173.01227	58.9
175.99927	4.6
177.00766	5.5
179.02254	12.1
185.09215	11.8
189.00696	6.0
191.02272	93.1
205.00203	9.4
207.01773	37.0
209.03313	5.0
214.03888	6.2
217.00218	8.0
225.02824	6.9
227.11424	4.4
228.11697	12.5
228.14389	3.7
235.01332	10.7
238.97276	4.4
244.10121	6.3
263.00726	16.0
281.01804	100.0
299.02869	32.1
304.05695	4.1
304.14810	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	303.1956
Annotation	18-Nor-4,15-dihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
53.03952	4.5
55.01854	7.3
55.05512	17.9
56.96566	8.6
57.03445	3.0
57.07070	10.9
59.05005	4.4
67.05505	28.1
68.99798	7.7
69.03423	12.3
69.07072	25.8
69.87817	14.2
71.04983	7.9
74.53248	2.9
79.05493	14.0
81.03422	3.5
81.07062	32.0
83.04983	8.6
83.08627	15.6
85.02917	4.0
85.06590	3.0
89.03980	3.0
91.05482	37.3
93.07040	25.5
95.04974	14.0
95.08604	36.7
97.02879	19.8
97.06535	6.2
97.10158	2.4
98.97599	7.1
99.04478	4.7
103.05483	5.7
105.07036	42.0
107.04967	9.5
107.08585	31.8
109.02919	3.7
109.06553	13.6
109.10166	33.9
111.04459	6.4
111.08054	4.6
115.05459	6.4
116.98585	6.5
117.07003	13.7
119.04920	3.3
119.08580	47.4
121.06503	12.4
121.10168	27.0
123.04430	10.8
123.08073	9.9
123.08904	3.2
123.11720	8.2
125.05995	4.9
125.09633	5.0
128.06229	5.5
129.07024	10.2
131.04945	5.1
131.08571	34.9
133.06480	3.0
133.10121	31.6
135.04427	5.7
135.08055	13.8
135.11691	18.0
137.02348	14.5
137.05991	15.5
137.09659	13.5
139.03934	3.5
139.11215	6.4
141.07030	11.1
142.07785	7.2
143.04906	2.8
143.08589	18.4
144.09393	4.1
145.02901	3.5
145.06502	4.6
145.10121	36.8
147.04387	7.2
147.08043	25.3
147.11671	31.6
148.05325	2.7
149.05981	6.0
149.09651	12.8
149.13295	10.1
151.03920	3.0
151.07545	7.2
151.11165	3.1
152.06160	3.3
153.01843	11.9
153.06973	4.1
154.07690	2.8
155.08578	10.6
156.09303	13.4
157.06511	6.6
157.10138	20.9
158.07245	4.2
158.10942	6.1
158.99609	2.4
159.08051	11.8
159.11736	26.6
160.08693	3.2
161.09601	14.8
161.13242	16.8
162.14105	3.3
163.03917	8.8
163.07506	9.4
163.11206	5.9
163.14856	4.1
165.05635	3.6
165.07021	8.5
165.09152	9.8
167.08640	3.6
168.05719	3.0
169.06474	7.3
169.10153	14.3
170.10878	8.8
171.04355	2.9
171.08017	6.9
171.11682	29.7
172.08835	5.4
172.12462	3.6
173.05966	5.5
173.09654	26.1
173.13277	27.5
175.07524	6.0
175.11139	13.9
175.14842	5.3
177.00647	2.9
177.05544	10.6
177.09178	6.6
177.16380	4.8
178.05928	3.3
179.03476	3.6
179.08571	4.2
181.06445	4.4
181.10295	3.8
182.10860	3.3
183.02913	4.9
183.08107	9.2
183.11688	18.0
185.05966	3.4
185.09627	10.1
185.13298	22.1
186.10394	5.9
186.13998	8.2
187.07539	6.4
187.11169	24.9
187.14754	18.8
188.15520	6.0
189.09265	3.9
189.12781	11.8
191.02283	3.5
191.07054	3.4
191.10692	4.1
193.05016	3.5
195.08072	5.2
195.11687	3.2
196.05302	2.8
196.12480	4.5
197.06017	5.9
197.09654	5.7
197.13300	16.5
199.07736	3.2
199.11179	14.0
199.14890	8.7
200.11981	4.8
201.05519	5.9
201.09071	6.1
201.12726	25.5
201.16362	6.9
203.10759	3.8
203.14223	3.7
204.15047	4.7
205.15907	29.0
207.11731	4.0
209.13306	5.1
210.10440	3.4
211.07541	7.8
211.11205	8.9
211.14827	9.8
211.97078	2.8
213.12775	5.9
215.10785	7.2
215.14301	9.3
217.12285	9.8
219.06573	39.9
219.13817	3.7
224.15694	3.3
225.05386	4.7
225.12735	13.7
225.16318	3.9
227.10721	4.2
227.14291	8.6
228.11465	3.9
229.04913	9.7
229.08594	7.0
229.12221	16.3
229.15903	7.9
229.19519	6.1
231.13878	4.5
239.07063	3.8
239.17880	13.5
241.15886	3.6
242.05815	4.1
242.13026	22.0
243.06474	4.3
243.10300	3.7
243.11176	4.5
243.13800	45.9
243.16394	4.0
243.17442	6.1
245.15427	6.3
247.13364	5.5
247.16895	2.8
252.15125	3.3
257.04758	5.7
257.08051	10.0
257.19080	29.5
259.20621	3.9
267.17542	16.0
270.05084	3.3
271.05811	3.6
271.09708	8.6
275.09152	4.7
275.20132	5.0
285.04538	3.5
285.07693	10.8
285.12305	6.1
285.18481	81.9
285.21689	5.8
303.05008	100.0
303.08630	29.4
303.12155	4.7
303.19565	59.6
303.23209	18.6
303.26230	4.2
304.05359	7.4
304.19858	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	303.1954
Annotation	18-Nor-4,15-dihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
55.01869	3.1
55.05504	10.3
57.07064	7.3
57.23477	2.0
58.03111	1.8
59.82933	2.2
65.03939	2.0
67.05502	11.1
68.99789	2.2
69.03422	5.6
69.07076	11.3
69.48116	10.2
69.48529	7.0
71.04992	4.1
75.28245	1.9
76.29744	2.6
79.05492	9.4
79.61457	1.9
81.03404	3.6
81.07063	11.8
83.04964	7.2
83.08620	8.2
85.98895	1.9
90.04284	1.7
91.05466	18.0
93.07043	14.2
95.04969	7.3
95.08608	19.1
97.02901	4.0
97.06541	5.1
97.10135	2.6
98.21648	2.3
99.04430	2.4
100.11258	5.6
103.05566	3.0
105.07043	19.8
107.04936	3.4
107.08591	21.2
109.06512	6.9
109.10159	16.2
111.04448	7.7
111.08094	5.7
115.05466	2.7
117.07018	8.9
119.04995	3.0
119.08578	34.4
120.09361	2.3
121.06477	4.6
121.10144	21.8
123.04439	4.0
123.08060	6.4
123.11700	3.0
125.09639	2.6
128.06232	3.1
129.06987	7.9
130.07806	2.0
131.08571	24.1
133.10130	17.3
135.08058	9.4
135.11702	9.7
137.02319	8.3
137.05991	2.9
137.09628	9.7
138.10493	2.6
139.11174	2.6
142.07809	4.6
143.08557	16.8
144.09398	4.6
145.06453	4.7
145.10120	26.7
147.04402	3.0
147.08054	14.9
147.11667	20.2
148.12411	3.7
149.05992	4.0
149.09631	7.3
149.13264	6.0
151.07498	2.6
151.11134	2.7
153.01836	12.4
153.05382	2.5
155.08571	10.5
156.09387	12.7
157.10161	14.1
158.07286	3.8
158.10980	3.2
159.08037	10.3
159.11679	21.0
161.09624	9.5
161.13280	10.3
162.13972	2.8
163.03905	4.2
163.07549	4.1
163.11208	3.3
165.01804	3.1
165.09087	5.0
168.09360	3.2
169.10107	9.8
170.10876	4.9
171.08112	2.9
171.11685	27.2
172.08859	4.0
172.12563	2.4
173.09618	19.6
173.13283	20.3
175.07578	3.5
175.11168	9.0
175.14810	3.1
177.09094	4.2
181.10075	2.3
182.10834	3.8
183.02884	3.2
183.08142	3.2
183.11708	12.1
185.09634	12.4
185.13245	17.1
186.10417	6.1
186.13997	4.1
187.03966	2.5
187.07558	4.7
187.11162	17.0
187.14833	15.5
188.15627	3.8
189.12756	8.3
191.14305	4.6
192.09265	2.5
193.12184	2.3
196.12585	2.3
197.13260	11.7
199.11197	21.3
199.14856	7.2
201.05457	4.6
201.09192	4.8
201.12773	17.0
201.16380	2.5
203.10646	2.8
203.14299	5.2
204.15109	4.0
205.12219	4.1
205.15866	22.5
206.16608	4.9
207.11710	3.0
209.13255	3.4
210.10411	4.0
211.11221	4.6
211.14861	7.7
214.13528	3.1
215.10690	4.9
215.14349	7.8
217.12306	8.3
219.06622	4.5
219.13821	2.8
225.12714	11.3
225.16425	2.6
227.10789	4.0
227.14346	6.7
229.04999	10.2
229.12228	13.1
229.15898	4.3
229.19615	5.7
231.13733	3.1
239.17984	12.1
241.19588	3.2
242.13040	21.5
243.13817	40.0
243.16373	3.0
243.17442	5.0
245.15430	3.3
247.13313	5.5
257.04437	4.5
257.19077	22.8
259.20584	3.0
267.17474	9.4
274.04712	2.5
275.20041	6.5
285.04047	2.6
285.18506	68.6
288.05276	2.3
303.05011	100.0
303.08209	9.1
303.19583	45.3
303.22852	2.9
304.05298	8.2
304.19910	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
55.01878	0.6
55.05495	0.6
57.31427	0.3
57.49286	0.2
65.03937	1.2
67.01861	0.6
67.05506	1.7
68.99787	3.3
69.03449	1.3
69.07055	0.8
69.34676	2.8
72.39098	0.3
77.03962	0.3
79.05483	0.7
81.03410	1.0
81.07045	2.0
83.04980	0.4
83.08602	0.6
89.03947	0.3
91.05479	2.7
93.03426	0.6
93.07049	2.0
95.04982	2.0
95.08605	3.0
97.02901	1.6
97.10173	0.3
99.04451	0.5
103.05470	0.7
105.03426	0.4
105.07034	2.2
107.04941	0.6
107.08578	2.5
109.02868	1.6
109.06501	0.6
109.10150	1.8
111.00808	2.3
111.04464	0.7
111.08102	0.4
113.06026	0.3
115.05505	0.5
117.03374	0.4
117.07015	1.3
119.04932	0.7
119.08599	3.0
121.02879	2.4
121.06499	0.5
121.10139	2.8
123.04411	1.2
123.08067	0.9
123.11722	0.6
127.03940	0.9
128.06224	0.4
129.06999	0.6
131.04887	0.5
131.08569	1.2
133.06468	0.4
133.10120	2.1
135.04428	0.6
135.08076	1.5
135.11684	0.8
137.02344	11.2
137.03400	0.5
137.05943	1.4
137.09637	0.9
138.02660	0.5
142.07722	0.3
143.08540	1.1
145.02859	1.2
145.06529	1.3
145.10143	2.0
147.04442	0.6
147.08029	1.4
147.11678	1.8
149.02356	1.1
149.09612	0.7
151.03923	3.5
151.07565	0.8
151.11137	0.5
153.01830	14.2
153.05463	0.8
153.06932	0.5
154.02234	0.6
155.04924	1.0
155.08507	0.6
156.09344	0.4
157.06482	0.5
157.10101	1.0
158.10887	0.5
159.04440	0.7
159.08028	0.7
159.11684	1.4
161.06003	0.9
161.09596	0.6
161.13266	0.8
163.03928	2.0
163.07500	0.4
163.11269	0.4
165.01822	4.2
165.07002	0.5
165.09087	0.4
166.02658	0.5
168.00563	0.5
169.06474	0.4
169.10181	0.6
171.02937	0.7
171.11725	1.3
173.06012	1.6
173.09637	0.7
173.13303	1.7
177.05513	1.6
179.03400	1.1
183.02901	3.5
183.04446	1.3
183.08084	0.7
183.11731	0.5
185.09633	0.4
185.13228	0.6
186.01573	0.4
186.14064	0.4
187.03932	1.0
187.07521	0.6
187.11217	0.8
187.14772	0.9
189.12704	0.6
191.03320	0.3
191.07004	0.5
195.02855	0.6
197.06010	0.5
197.09525	0.3
197.13303	0.8
199.11188	0.4
199.14842	0.6
201.05472	5.7
201.12723	1.1
202.05878	0.4
203.10736	0.3
203.14481	0.4
204.15134	0.3
205.05011	0.7
211.07619	0.7
211.14828	0.5
213.05611	0.3
213.12704	0.5
217.15958	0.3
219.03017	0.5
219.06540	3.2
219.13808	0.5
225.05478	0.4
228.04179	1.1
229.04970	9.6
230.05325	0.9
239.18001	0.5
243.06493	0.4
243.10284	0.5
243.13852	0.9
243.17273	0.3
247.06067	1.2
257.04474	6.0
257.08234	0.4
257.12979	0.5
257.19095	0.9
258.04974	0.5
260.05850	0.7
267.17599	0.6
271.09656	0.7
274.04752	1.6
275.05566	0.5
285.03955	3.0
285.18515	3.7
285.21838	0.5
288.05316	1.3
303.05002	100.0
303.19528	2.7
303.23148	1.5
304.05325	8.2
304.08636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01844	0.3
56.05023	0.2
56.96539	0.7
65.03926	1.0
67.01842	0.2
67.05478	0.8
67.05833	0.3
68.99767	0.7
69.03427	0.4
69.07066	1.7
69.88683	0.5
69.89095	0.8
70.06591	0.3
72.08117	0.3
79.05489	1.5
81.03404	0.4
81.07039	0.8
82.06554	0.7
84.04469	0.3
84.08121	0.4
85.02893	0.3
86.09682	0.5
89.03905	0.9
91.05466	1.1
92.05020	1.2
94.06561	1.8
95.04954	1.0
95.08596	0.5
96.04471	0.3
96.08144	0.3
97.02913	0.4
97.05300	0.3
97.06525	0.4
98.06059	0.3
98.97581	0.6
105.03330	0.3
105.07014	0.3
106.06533	1.6
107.04932	1.0
107.07310	0.6
109.06522	0.5
110.06046	6.1
111.04462	0.3
112.07600	0.8
116.04987	1.1
116.98596	0.6
117.05759	0.3
119.04875	0.4
120.04461	13.1
121.05241	0.3
122.06027	2.9
123.04414	0.6
124.07587	4.4
130.06490	0.3
131.04941	0.3
133.02806	0.2
134.06018	4.1
135.04401	1.1
136.07501	0.2
137.02357	1.8
137.05971	1.0
138.05487	0.3
139.03874	0.4
140.07071	6.4
140.62503	0.2
141.06775	0.3
141.07851	5.4
142.08632	16.7
144.04436	1.0
146.05949	0.2
147.04398	0.6
149.06021	0.4
151.03883	0.7
153.01830	1.3
153.05492	0.6
154.08598	1.6
160.18448	0.3
162.05499	100.0
163.03911	0.9
163.05956	1.9
164.07080	1.2
165.01848	0.3
165.05525	0.4
167.07036	1.8
177.05511	0.3
198.09196	0.2
203.03409	0.4
214.06259	0.3
215.03433	0.3
216.10187	1.5
217.13402	0.5
219.06609	0.6
226.08635	0.3
229.04980	0.6
229.08652	0.6
230.08113	0.8
240.10173	0.4
243.06560	0.4
243.11423	1.1
244.09657	1.2
257.04437	0.7
257.08057	0.5
258.11240	2.7
261.12344	6.4
268.09589	0.3
270.05118	0.4
275.09546	0.3
275.25317	0.3
279.13361	3.0
285.04031	0.3
285.07639	0.8
285.12360	1.9
286.10751	2.6
300.95328	0.2
303.05057	12.6
303.08676	1.6
303.13364	9.1
303.16840	0.5
304.05371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0864
Annotation	5,2',4'-Trihydroxy-7-methoxyisoflavanone
Peak:m/z	Relative Intensity
55.01906	0.7
55.05521	1.6
56.96570	1.0
57.03445	0.7
60.39019	0.4
63.39711	0.4
64.44825	0.4
65.03943	1.2
67.05510	2.0
68.02663	0.8
68.99797	0.8
69.03434	1.4
69.07070	1.4
71.60073	0.5
79.05489	3.0
81.03431	0.6
81.07047	3.1
83.04987	1.4
83.08633	0.8
85.02929	0.4
89.03917	6.8
89.04427	0.6
91.05473	2.7
93.03434	0.7
93.07038	2.0
95.04964	1.9
95.08604	2.5
97.02895	1.8
97.06533	0.8
98.97613	0.5
99.04464	0.7
103.05457	1.2
105.03341	0.5
105.07038	2.8
106.00546	0.8
107.01324	1.9
107.04943	2.4
107.08585	1.9
109.06483	0.7
109.10171	1.5
111.04448	3.4
111.08106	0.4
115.05421	0.6
117.03368	7.5
117.06984	0.7
119.04951	1.0
119.08606	2.3
121.02881	1.0
121.06504	0.9
121.10161	1.6
123.04433	4.7
123.08093	0.6
124.01582	4.6
125.06006	0.8
127.03912	0.5
129.07040	0.6
131.04939	0.8
131.08572	1.3
133.02844	0.5
133.10146	1.7
135.04413	18.0
135.08089	0.7
135.11693	0.7
136.05193	1.9
137.02342	3.9
137.05968	5.4
139.03880	2.7
141.06969	1.3
143.08586	1.0
145.02840	10.2
145.10136	1.3
147.04416	1.8
147.08055	0.5
147.11696	1.7
149.05969	0.6
149.09720	0.6
151.03918	5.1
151.07562	1.4
152.01047	32.3
153.01833	6.7
153.05452	2.1
153.06944	0.6
155.08566	0.7
157.10115	0.9
158.03815	0.4
159.11742	1.0
161.09656	0.6
161.13326	0.6
162.05516	0.5
163.03906	50.8
163.11188	0.8
164.04321	0.6
165.01814	0.6
165.06993	1.5
167.03403	89.5
168.03720	0.6
168.05719	1.1
169.06502	1.7
169.89914	0.4
170.02106	33.5
171.11653	0.7
173.05943	0.5
173.09514	0.5
173.13287	0.8
174.09195	1.2
175.11220	0.6
175.14880	0.5
177.05487	1.0
178.02583	2.6
179.03401	3.6
183.08067	1.4
183.11583	0.7
185.05994	0.5
187.07452	1.0
189.09050	0.4
189.12892	0.5
190.08649	0.5
193.04976	5.2
196.05290	0.8
197.06029	3.9
197.13196	0.6
199.14806	0.8
201.05476	1.3
203.17923	0.4
207.04477	0.7
211.07579	2.7
211.14746	0.5
213.05447	1.0
214.06268	0.7
215.07201	0.9
217.12273	0.5
218.08066	1.2
219.06543	4.2
225.05450	3.3
228.04192	0.4
229.04944	1.7
239.06985	1.7
242.05679	1.6
243.06471	1.7
243.10176	0.8
243.13795	0.5
245.04465	0.5
247.05847	0.5
253.04945	5.6
257.04468	1.2
257.08002	2.9
267.06427	1.7
270.05157	1.4
271.06335	2.1
271.09470	2.1
273.03949	0.9
275.09128	0.9
285.07565	11.2
285.18478	1.2
285.21765	0.7
286.07874	0.5
288.06250	4.2
303.05002	17.5
303.08557	100.0
303.23145	3.0
304.05655	0.5
304.08835	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	(3R)-7,2',3'-Trihydroxy-4'-methoxyisoflavanone
Peak:m/z	Relative Intensity
51.02374	0.8
53.03937	1.1
55.01873	1.3
55.05501	2.7
56.96569	1.1
65.03922	2.4
67.05501	3.1
68.99776	3.4
69.03420	2.3
69.07064	2.5
70.86549	1.8
71.04984	0.9
72.08154	2.2
74.09825	0.7
77.03938	1.4
79.05486	6.3
81.03420	9.4
81.07063	5.7
83.04966	1.1
83.08611	1.1
90.29134	0.7
91.05484	7.3
93.07039	3.8
95.04967	6.8
95.08617	4.7
97.02905	3.5
97.06507	0.9
103.05479	2.6
105.03396	3.2
105.07030	6.7
107.04952	62.2
107.08568	3.5
109.02122	1.7
109.02876	32.2
109.06521	2.0
109.10157	2.8
110.14948	0.8
111.04448	8.3
115.05476	2.4
117.07045	2.2
119.04959	2.2
119.08569	4.4
121.02852	3.2
121.06500	2.8
121.10151	3.0
123.04420	6.9
123.11731	1.6
123.62280	0.7
125.06001	1.5
125.62095	0.7
126.03135	6.7
129.05457	0.7
129.07016	2.0
131.04913	2.0
131.08557	2.2
133.02847	8.2
133.06529	1.1
133.10124	3.1
134.03708	0.8
135.04416	93.1
135.11676	1.3
136.04768	1.0
137.02336	30.3
137.05975	6.3
138.03123	4.6
138.12758	0.8
139.03883	4.3
141.05458	8.5
141.06999	2.2
143.08543	1.2
144.05679	0.8
145.06517	1.7
145.10155	1.8
147.04393	3.5
147.11679	2.7
149.02379	1.1
149.06003	2.3
149.09598	0.8
150.03125	3.7
151.03896	2.1
151.07558	2.1
153.01859	6.8
153.05469	39.1
155.04895	1.4
155.08589	1.5
157.06499	1.5
157.10155	0.9
159.08076	0.9
159.11685	2.2
161.02370	1.2
161.05966	1.7
161.09671	1.0
161.13268	1.4
163.03905	88.2
164.04366	1.6
165.01888	1.4
165.05495	8.1
165.07010	3.5
166.06262	1.1
167.03381	1.6
167.07076	0.9
168.05684	1.2
169.04990	34.3
169.06471	5.3
169.10170	0.9
171.11665	1.0
173.05992	2.5
173.13326	1.0
177.05484	1.5
179.03348	0.7
181.04996	1.0
181.06487	0.9
183.02913	0.8
183.04425	1.1
183.08073	2.9
185.06029	1.1
186.06721	0.9
187.07579	2.4
191.07057	1.7
193.04999	4.0
193.11861	0.7
194.46176	0.8
196.05136	1.7
197.05962	10.1
199.07530	1.0
201.05444	2.9
201.09055	0.8
201.16362	1.0
205.04942	0.8
211.07533	3.0
213.05348	0.9
214.06290	1.6
215.06989	5.7
215.10602	0.8
215.14301	0.8
219.06523	11.8
225.05464	6.4
229.05008	5.5
229.08591	6.1
239.06964	1.5
241.04840	1.3
242.05701	1.9
243.06461	2.5
243.10291	1.5
245.08069	1.0
246.80316	0.8
247.42822	0.8
253.05132	3.9
257.04431	3.4
257.08139	3.5
259.06073	1.4
269.04453	14.7
270.05237	13.8
271.06030	1.2
271.09558	2.2
274.04770	0.9
275.05701	2.0
275.09113	19.2
276.09354	0.9
285.04291	1.1
285.07584	22.7
285.12369	1.3
285.22043	1.4
288.05536	1.0
303.05011	46.7
303.08621	100.0
303.12228	3.7
303.23181	5.9
304.05469	1.5
304.09076	2.4
313.94757	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0864
Annotation	Lespedol D
Peak:m/z	Relative Intensity
53.03942	1.0
55.01881	2.9
55.05503	4.0
56.96564	1.1
59.04990	0.7
65.03951	2.2
66.53783	0.9
67.05499	6.6
68.99787	6.2
69.03436	3.4
69.07060	4.2
71.04999	2.1
71.55202	0.8
71.59987	1.7
71.60954	0.7
72.08147	1.5
79.05501	6.7
80.98960	0.8
81.03423	2.9
81.07060	9.1
83.04990	3.0
83.08632	0.8
85.02892	2.0
91.05486	13.4
93.03400	0.9
93.07036	7.6
94.04141	1.0
95.04967	8.4
95.08606	7.8
97.02903	4.4
97.06541	2.9
97.10162	1.1
99.04445	2.5
99.83185	0.8
101.17765	0.9
103.05497	4.9
105.03389	1.3
105.07026	10.1
107.04958	26.3
107.08607	8.0
109.02872	2.2
109.06542	4.0
109.10132	5.6
110.03677	1.1
111.00829	1.3
111.04438	6.0
111.08102	1.0
113.06058	1.2
115.05460	3.3
117.03360	1.0
117.07041	2.4
119.04959	6.0
119.08595	8.0
121.02885	2.6
121.05258	1.3
121.06516	5.6
121.10149	4.4
122.03642	0.9
123.04424	15.2
123.08070	2.0
123.11688	1.6
124.07581	1.1
125.05977	1.0
125.09695	1.1
126.01775	1.0
127.03934	2.1
128.06242	1.3
129.07013	3.1
131.04945	7.9
131.08572	3.6
133.02858	2.3
133.06496	1.3
133.10170	4.7
134.03685	1.4
135.04404	15.3
135.08084	2.6
135.11716	3.4
137.02351	9.4
137.05977	20.4
139.03891	7.0
139.11067	1.1
140.04559	1.0
141.01888	1.5
141.05473	6.0
141.07005	3.0
143.08551	2.1
144.05685	0.9
145.06516	3.1
145.10135	4.0
147.04417	3.3
147.11685	6.3
149.05969	5.5
149.09581	1.3
149.13263	1.7
150.03128	3.0
151.03885	4.2
151.07556	9.9
152.06209	1.4
153.01836	12.1
153.05487	10.6
153.07011	6.9
154.02010	0.9
155.04973	1.5
155.08542	5.5
157.06493	2.3
157.10138	2.3
158.03661	1.3
159.04530	1.0
159.08058	1.2
159.11688	2.7
161.06010	1.7
161.09651	1.1
161.13293	3.2
162.05614	0.9
163.03908	100.0
163.07527	5.0
163.11221	1.4
165.01857	2.1
165.05499	18.1
165.07024	14.4
165.08304	1.3
165.12798	1.0
166.02336	1.0
167.03452	6.1
167.04724	1.2
167.07098	2.2
168.05701	6.7
169.05101	1.1
169.06522	3.8
169.10103	1.0
170.07291	1.0
171.02991	0.9
171.04468	0.9
171.11676	1.3
172.05217	1.0
173.06010	3.5
173.13268	1.8
175.07530	1.2
175.11145	1.6
175.14888	1.4
176.04742	1.5
177.05519	4.0
177.09111	1.9
178.05061	1.2
179.03392	1.5
179.07056	1.4
181.04977	7.2
181.06516	4.7
181.08665	1.9
182.07306	2.5
183.02885	1.6
183.04468	1.7
183.08058	16.1
184.05016	1.2
185.05988	3.2
186.06821	1.5
187.03894	2.5
187.07570	1.7
187.14832	1.4
193.04958	16.8
193.06485	1.6
196.05270	3.9
197.05995	9.3
199.07578	2.2
199.14885	1.2
200.04626	1.1
200.08276	1.3
201.05475	5.0
201.09186	1.0
201.16338	1.1
203.07106	1.2
204.04213	1.1
207.04469	3.5
210.06807	2.4
211.04091	1.0
211.07510	18.0
212.04736	1.3
212.08334	2.6
213.05513	3.4
214.06329	1.0
215.07050	2.4
215.10701	2.6
219.06531	19.8
219.08588	1.6
221.06006	1.5
224.04581	1.3
225.05481	9.0
225.09143	2.9
227.06985	2.0
228.04324	1.3
228.07858	2.1
229.04976	10.2
229.08611	3.3
239.07103	5.0
241.04907	1.6
242.05682	1.7
243.06546	1.9
243.10051	13.1
245.04372	1.7
245.08122	2.3
247.05949	1.5
247.49046	1.0
253.05016	5.7
253.08646	1.3
255.06526	1.2
256.07230	1.1
257.04498	7.2
257.08121	4.0
259.06036	3.1
267.06546	1.0
270.05246	2.8
271.06442	1.8
271.09644	19.5
272.10468	1.8
274.04764	1.2
275.05548	2.3
275.09186	8.2
285.04092	3.5
285.07565	30.0
285.10916	1.0
285.12308	2.1
285.18741	1.0
285.22131	2.1
288.06375	1.3
288.09949	3.5
289.11783	3.2
303.05014	87.5
303.08646	42.8
303.12314	13.5
303.16003	2.0
303.19733	1.9
303.23108	13.9
304.05353	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	Penisimplicissin
Peak:m/z	Relative Intensity
51.94364	1.0
53.03926	1.0
55.01869	1.3
55.05503	2.3
56.96551	1.5
57.07057	1.4
65.03947	4.5
65.59586	1.0
67.01858	1.0
67.05508	5.9
68.02586	1.0
68.99791	7.7
69.03412	2.6
69.07069	2.2
70.14078	3.2
70.14513	1.5
71.04991	1.2
73.72044	0.8
79.05484	4.2
81.03432	1.7
81.07064	6.6
83.04976	2.0
85.02864	1.3
85.06564	1.0
91.05475	5.3
93.03422	1.3
93.07050	4.9
94.04122	1.1
95.04974	9.1
95.08620	5.7
97.02886	3.0
97.06509	1.2
99.04424	1.3
105.03420	1.3
105.04486	1.0
105.07018	5.5
107.04959	17.6
107.08603	6.1
109.06532	5.1
109.10151	4.2
111.04434	11.2
117.07028	2.0
119.04944	1.5
119.08559	4.0
121.02883	1.6
121.06487	1.7
121.10155	2.7
123.04430	52.3
123.11723	1.5
125.05981	1.4
128.06107	1.2
131.04889	1.0
131.08562	1.7
133.10083	2.0
134.03615	4.9
135.04427	24.4
135.08035	1.4
135.11703	2.2
136.05162	1.1
137.02354	5.5
137.05977	35.8
139.03903	20.7
141.05469	30.5
141.07001	2.0
145.10146	1.8
147.04384	3.0
147.08035	1.2
147.11664	2.4
149.05930	2.1
149.09631	1.7
149.13316	1.2
151.03914	3.5
151.07588	1.1
153.01839	5.3
153.05450	2.6
153.06859	1.1
155.08562	1.4
159.11674	1.2
160.05373	1.1
161.05971	2.0
161.13184	1.1
163.03905	21.7
163.11084	1.2
165.05482	60.9
165.06842	2.3
166.05849	1.2
167.03407	19.1
169.04987	2.3
169.06444	2.2
172.05190	1.6
173.06021	1.1
173.13235	1.4
177.05505	3.9
181.05026	4.6
181.06332	1.0
183.02980	1.2
183.08057	2.2
185.06073	1.3
186.06783	2.4
187.03870	3.3
187.07501	1.9
193.04965	40.1
193.06721	2.0
197.05975	7.4
199.07625	1.2
201.05571	1.6
201.09132	1.0
211.07579	2.7
213.05450	1.5
214.06123	2.6
215.06966	2.7
217.08693	1.0
219.06552	9.8
225.05440	3.1
228.04167	1.8
229.04881	2.9
229.08632	10.9
239.07076	1.5
242.05821	6.4
243.06367	2.2
243.10156	1.3
253.04926	1.6
257.04346	2.0
257.08054	7.4
260.05954	1.7
270.05203	9.3
271.09650	1.7
275.09125	5.8
285.07571	89.3
286.07858	2.1
303.04971	36.2
303.08551	100.0
303.19601	2.4
303.23166	5.5
304.05417	1.7
304.08798	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
53.45243	3.1
55.01858	10.6
55.05513	3.3
56.05025	4.2
56.96566	35.8
57.03437	33.9
58.47284	3.1
61.02926	67.5
68.61237	3.2
69.03429	45.1
69.52802	19.4
69.53204	5.7
70.06578	6.8
70.98096	4.2
71.05010	8.1
73.02915	34.9
77.70863	2.9
81.03403	14.7
84.08139	9.8
84.96082	2.8
85.02904	93.2
87.04461	8.5
88.99174	4.3
89.00789	4.1
90.01556	3.0
91.03940	5.9
97.02888	29.4
98.21709	2.7
98.97583	76.7
99.04446	8.8
101.00755	4.2
101.02388	3.5
103.03981	3.9
104.01267	6.1
109.02882	12.3
110.01276	13.6
110.97575	10.2
114.05522	5.9
116.98612	42.9
118.01010	3.9
119.01790	33.5
122.03503	3.4
124.95487	2.9
125.01726	4.4
126.02534	3.3
127.03918	35.7
128.02313	49.0
128.98587	22.0
134.99652	19.7
135.03088	3.9
137.02823	22.5
139.01508	3.8
140.00226	3.0
140.02322	7.3
141.01262	3.8
141.05301	3.7
142.96529	8.1
143.00092	3.6
145.04974	9.7
146.02219	5.1
146.99657	21.3
151.03880	5.0
152.02350	4.0
153.01222	2.9
158.99666	15.9
160.97559	9.9
161.01202	10.0
161.02834	3.9
162.01794	17.1
163.03931	3.3
165.00726	12.9
168.01825	7.0
169.02620	8.6
170.03276	3.9
170.99675	10.9
171.02318	6.9
173.01244	7.1
174.99155	8.9
177.00688	18.9
177.02357	13.4
178.03069	9.5
182.03340	13.9
183.02332	29.2
183.52608	5.0
184.97598	10.9
185.09204	8.7
186.99112	6.5
188.97061	9.9
189.00713	27.2
190.98619	5.7
191.02287	4.7
191.03899	22.2
192.02852	32.4
193.00247	14.6
193.69098	3.3
200.04420	20.2
201.00769	11.6
202.98659	15.5
203.05336	4.2
204.02850	40.8
204.52965	4.1
205.00209	13.0
206.98119	10.6
207.01793	13.3
213.03369	100.0
213.05370	5.7
213.33925	3.8
213.53554	6.4
216.05751	3.1
217.00284	5.1
219.01738	15.5
220.99757	7.6
222.03897	45.7
222.54124	6.9
223.01222	5.4
230.98137	22.2
232.99637	4.0
235.01253	11.6
237.02895	9.1
244.99838	4.4
247.01306	12.8
248.99133	7.4
250.55730	3.0
261.02893	4.2
263.00803	18.6
275.00775	9.8
279.03894	2.7
281.01776	10.5
293.01718	7.0
294.06186	7.0
303.04803	4.4
303.10568	12.8
303.20288	5.1
305.01703	15.1
318.10272	3.8
323.02802	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03928	0.5
55.01862	0.2
56.96568	0.2
60.05653	0.2
61.36228	0.1
65.03939	0.7
67.01854	0.4
67.05501	0.4
68.99790	2.4
69.03422	0.4
70.06593	0.9
70.79957	0.2
71.04999	0.2
71.59650	0.4
72.08147	0.4
79.05485	0.2
80.66038	0.2
81.03425	1.0
81.07076	0.3
85.02890	0.4
86.09705	0.6
91.05470	0.7
93.03400	0.6
93.07072	0.2
95.04968	1.5
97.02884	0.5
103.05455	0.2
105.03406	0.3
105.07038	0.4
107.04954	0.5
107.08537	0.2
109.02873	1.3
109.06497	0.2
111.00809	1.7
111.04435	0.3
115.05461	0.4
117.07035	0.5
119.04970	0.6
121.02856	2.2
121.06467	0.2
123.04427	2.5
124.07645	0.2
126.15031	0.2
127.03918	1.0
131.04919	0.5
133.02879	0.3
135.04398	0.8
135.05330	0.2
137.02344	9.6
137.03400	0.7
137.05949	0.7
138.03041	0.2
139.03873	0.6
145.06508	0.8
147.04425	1.5
149.02361	1.1
149.06070	0.2
151.03894	2.4
151.07539	0.3
153.01836	10.2
153.05443	0.6
155.04909	1.2
155.06012	0.3
157.06476	0.3
159.04353	0.4
161.01123	0.2
161.05977	1.0
163.03925	1.7
165.01843	3.6
165.05482	0.4
166.02586	0.7
167.03307	0.2
167.07076	0.5
171.02924	0.4
173.05992	1.4
177.01871	0.4
177.05487	0.4
179.03404	0.6
179.06966	0.2
183.02896	1.3
183.04430	1.1
187.03886	1.0
191.03467	0.4
193.04967	0.4
195.02971	0.4
201.05470	4.3
205.05002	0.6
207.02917	0.3
211.03931	0.2
211.07605	0.2
213.05449	0.3
215.03345	0.3
217.05019	0.2
219.02905	0.3
219.06593	0.6
228.04213	0.5
228.08069	0.2
229.04970	8.6
230.05325	0.3
231.36305	0.2
233.04472	0.2
239.03381	0.5
246.05263	0.2
247.05988	1.3
257.04456	5.2
261.03952	0.3
274.04834	1.0
275.05386	0.5
285.03952	2.2
285.07245	0.4
285.12375	0.3
303.05002	100.0
304.05301	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Isoetin
Peak:m/z	Relative Intensity
55.01861	0.5
55.05499	1.3
57.03430	0.4
65.03938	1.0
67.01863	0.5
67.05502	2.5
68.65704	0.4
68.99786	1.9
69.03425	1.5
69.07063	1.3
70.86526	0.7
70.86865	0.9
71.04996	1.0
72.08155	0.5
79.05494	2.9
81.03423	1.4
81.07050	2.8
82.62476	0.4
85.02899	0.6
85.06516	0.8
89.03904	0.7
91.05487	2.8
93.07063	2.1
95.01324	1.2
95.04958	2.4
95.08593	6.6
97.02894	3.8
97.06543	1.0
98.20963	0.5
103.05485	0.8
105.03374	0.9
105.07020	2.9
107.04935	2.3
107.07492	0.4
107.08585	1.4
109.02900	0.8
109.06489	1.1
109.10168	0.8
115.05402	0.6
117.03397	0.8
117.07025	1.0
119.08590	2.1
121.02866	0.8
121.06509	0.7
121.10130	1.0
123.00795	4.7
123.04404	1.2
123.08053	3.1
125.05994	0.8
127.03917	0.7
129.07063	0.6
131.04919	1.2
131.08615	0.8
133.02867	1.2
133.10126	1.5
135.04420	4.4
135.11708	0.5
137.02339	7.7
137.03337	0.5
137.05997	1.3
138.03139	2.9
138.05457	2.5
138.09134	1.4
141.01825	1.2
141.09103	2.5
144.05727	0.7
145.02853	0.5
145.06471	1.1
145.10126	1.2
147.04390	1.1
147.11708	2.3
148.05145	0.4
149.92043	0.4
151.03969	2.0
151.07513	0.5
153.01833	15.8
153.05464	20.4
155.04919	1.9
156.05429	0.4
157.06468	0.7
157.10136	0.8
158.03642	0.7
159.04440	0.5
159.11743	0.6
161.02386	0.6
161.06004	1.0
161.13252	1.0
163.03931	3.1
163.11261	0.5
165.01894	0.5
165.06972	0.6
166.05006	4.2
169.01340	3.7
169.65332	0.4
173.05975	2.3
175.11195	0.5
176.04713	0.7
177.05501	1.2
183.02847	0.6
183.04420	1.3
183.08096	0.4
185.02409	0.8
187.03902	1.1
189.05402	0.5
191.07036	0.7
193.04939	0.6
200.04642	0.4
201.05458	4.1
201.16414	0.7
203.03380	2.0
203.14386	0.5
205.04979	1.4
211.03929	0.5
211.07510	0.5
215.03415	0.4
219.06522	10.9
229.04947	13.7
230.05388	0.7
231.06554	1.7
233.04456	0.9
239.11926	0.9
245.04449	3.3
247.06027	0.9
257.04459	21.4
257.12836	1.5
258.04642	0.6
259.06033	7.9
260.06366	0.5
260.12735	0.5
261.03955	3.1
271.09555	0.9
272.11536	1.3
274.09436	0.8
275.05533	10.0
275.08664	0.8
275.13678	0.8
285.03946	10.4
285.07108	0.6
285.12231	3.0
285.22070	0.5
303.04999	100.0
303.08145	4.8
303.13187	10.1
303.22946	2.2
304.05334	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38111	0.1
55.01859	0.4
56.13572	0.1
65.03928	0.6
67.01845	0.5
67.05492	0.2
68.99430	0.2
68.99786	3.4
69.03423	0.3
69.69833	0.7
69.70242	0.3
71.49152	0.2
76.53490	0.1
81.03417	0.8
91.05406	0.2
93.03400	0.8
95.04946	1.0
97.02902	0.2
103.05450	0.3
105.03371	0.2
107.04955	0.2
109.02881	1.3
111.00806	2.2
111.04473	0.2
115.05449	0.3
117.07016	0.5
121.02872	2.2
123.04436	0.9
127.03904	0.6
131.04938	0.6
133.02859	0.2
135.04427	0.6
137.02339	9.5
137.03368	0.5
145.02837	0.3
145.06451	0.9
147.04388	0.2
149.02322	0.9
153.01823	13.2
154.02130	0.2
155.04938	1.3
157.06462	0.2
159.04416	0.4
161.02415	0.2
161.06004	0.8
161.13269	0.2
163.03918	1.6
165.01836	4.4
166.02608	0.6
167.03499	0.2
173.05988	2.0
177.01871	0.4
177.05447	0.2
179.03409	0.4
183.02884	1.6
183.04428	1.3
187.03908	1.4
191.03380	0.4
191.06886	0.2
195.02832	0.5
200.04674	0.2
201.05460	6.2
202.05759	0.2
205.04965	0.4
207.02815	0.3
211.03896	0.5
213.05467	0.2
215.03523	0.2
219.02917	0.4
219.06577	0.8
228.04135	1.0
229.04956	11.2
230.05423	0.4
232.03549	0.4
233.04594	0.2
239.03427	0.4
243.02747	0.2
245.04472	0.2
246.05219	0.2
247.06058	1.3
257.01758	0.3
257.04462	5.3
258.05051	0.2
261.04135	0.2
274.04770	1.5
275.05322	0.3
285.03934	2.6
303.04980	100.0
304.05319	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03947	0.2
55.01851	0.5
55.05499	0.4
57.56199	0.2
60.88891	0.2
65.03930	0.7
67.01846	0.5
67.05504	1.0
67.97700	0.2
68.99788	2.9
69.03421	0.9
69.07053	0.4
69.92227	1.0
71.04981	0.1
79.05490	0.5
81.03429	0.9
81.07054	1.0
81.07447	0.2
82.10616	0.1
83.04975	0.2
85.02908	0.2
85.06535	0.2
91.05476	1.4
93.03399	0.8
93.07018	0.7
95.04957	1.1
95.08598	1.4
97.02898	0.8
97.06532	0.3
97.10175	0.2
99.04437	0.2
103.05421	0.3
105.03394	0.3
105.07020	1.1
107.04935	0.6
107.08594	1.3
109.02884	1.8
109.06541	0.3
109.10158	0.8
111.00804	2.2
111.04398	0.4
111.08086	0.2
111.93547	0.2
115.05433	0.4
117.06993	0.7
119.04944	0.3
119.08572	1.8
121.02863	2.5
121.06511	0.5
121.10136	1.5
123.04440	1.0
123.08028	0.4
123.11716	0.4
127.03914	0.6
128.06226	0.4
129.06987	0.4
131.04912	0.6
131.08556	0.8
133.02855	0.3
133.06432	0.4
133.10118	1.1
135.04376	0.8
135.08031	0.7
135.11676	0.5
137.02338	8.4
137.03371	0.3
137.05954	0.3
137.09573	0.6
139.11143	0.2
141.06912	0.2
143.08556	0.4
144.09309	0.2
145.02914	0.2
145.06480	1.0
145.10135	1.0
147.04407	0.2
147.08052	1.1
147.11684	0.6
149.02345	0.6
149.09610	0.4
149.13144	0.2
150.03102	0.2
151.03905	0.6
151.11166	0.5
153.01825	11.5
153.05435	0.3
155.04912	1.1
155.08502	0.2
156.09271	0.3
157.06410	0.2
157.10123	0.5
158.10930	0.2
159.04402	0.4
159.08029	0.5
159.11642	0.8
161.06009	0.9
161.09587	0.3
161.13210	0.4
163.03925	2.0
163.07533	0.5
163.11137	0.4
165.01825	4.0
165.09117	0.2
166.02654	0.4
169.10184	0.3
171.11707	1.1
173.05971	1.8
173.09590	0.5
173.13240	1.1
175.11153	0.5
175.14812	0.3
177.01843	0.4
177.05418	0.4
179.03378	0.5
183.02870	2.1
183.04408	1.0
183.11691	0.4
185.13197	0.4
186.01636	0.3
186.10359	0.2
186.14038	0.4
187.03888	1.1
187.11133	0.3
187.14803	0.5
188.15553	0.2
189.12718	0.5
191.03412	0.2
191.06958	0.4
191.10628	0.4
195.02888	0.5
195.11580	0.2
197.13232	0.6
199.11214	0.4
201.05463	4.5
201.12700	0.9
202.05804	0.2
203.10765	0.2
204.14987	0.3
205.04976	0.5
205.15901	0.2
207.02892	0.2
210.10481	0.2
211.03915	0.5
211.14757	0.2
213.05437	0.2
215.03368	0.3
215.14326	0.4
217.12155	0.2
219.06517	1.5
225.12755	0.4
227.14348	0.4
228.04187	0.9
229.04953	10.2
229.12209	0.2
239.17918	0.5
242.13144	0.3
243.13803	0.7
243.17485	0.3
245.04410	0.3
246.05089	0.2
247.06065	1.3
257.04440	5.6
257.18936	0.8
258.04880	0.4
267.17459	0.6
270.05176	0.2
274.04733	1.7
275.05411	0.4
275.08951	0.2
285.03928	2.7
285.18500	2.4
288.05194	0.2
303.04977	100.0
303.19537	2.1
304.05316	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
55.01864	0.6
55.05518	0.4
62.76611	0.2
65.03939	0.8
67.01850	0.5
67.05507	0.9
68.99784	2.5
69.03436	0.9
69.07053	0.6
69.59402	0.3
69.59812	0.9
79.05473	0.6
81.03415	1.1
81.07045	0.9
83.04979	0.2
85.06511	0.2
91.05488	1.2
93.03378	0.6
93.07040	0.9
95.04971	1.3
95.08608	1.4
97.02873	0.7
97.06459	0.2
99.04450	0.2
103.05448	0.2
105.03357	0.2
105.07030	1.4
107.04958	0.6
107.08563	1.2
109.02868	1.1
109.06487	0.4
109.10132	0.7
110.03685	0.2
111.00806	2.0
111.04391	0.4
111.08038	0.2
115.05462	0.6
117.03387	0.4
117.06998	0.6
119.04930	0.5
119.08558	1.4
121.02871	2.5
121.06577	0.2
121.10145	1.1
123.04410	1.0
123.08065	0.4
123.11658	0.4
127.03884	0.5
128.06194	0.3
129.06975	0.4
131.04893	0.7
131.08557	0.5
133.02838	0.2
133.06488	0.3
133.10126	1.1
135.04417	0.6
135.08034	0.6
135.11702	0.3
137.02335	9.6
137.03362	0.4
137.06020	0.8
137.09573	0.4
139.03894	0.2
139.11116	0.2
141.06912	0.2
142.07733	0.2
143.08534	0.4
145.02852	0.8
145.06451	1.2
145.10106	0.9
147.04410	0.5
147.08049	0.9
147.11653	0.7
149.02319	0.8
149.05986	0.4
149.09605	0.3
149.13281	0.2
151.03896	2.6
151.07523	0.5
151.11220	0.3
153.01822	12.7
153.05421	0.6
153.06831	0.2
155.04889	1.3
155.08534	0.4
157.06485	0.4
157.10060	0.7
159.04411	0.3
159.11697	0.7
161.05966	0.6
161.07234	0.2
161.09677	0.3
161.13239	0.3
163.03905	1.7
163.07492	0.4
165.00525	0.3
165.01834	4.0
165.07065	0.4
165.09024	0.3
166.02574	0.5
167.03412	0.2
168.00522	0.2
169.06436	0.2
171.02885	0.6
171.11702	0.7
173.05966	1.4
173.09613	0.3
173.13277	0.8
175.07495	0.2
175.11220	0.3
175.14832	0.2
177.01877	0.3
177.05495	1.1
179.03392	0.7
181.06577	0.2
183.02873	2.7
183.04427	0.8
183.08008	0.3
183.11659	0.3
185.13249	0.4
186.01611	0.5
186.14043	0.2
187.03862	0.9
187.11179	0.4
187.14824	0.4
189.12723	0.3
191.03346	0.4
191.06885	0.2
193.04898	0.2
195.02888	0.6
196.05081	0.3
197.05862	0.2
197.13318	0.3
199.14836	0.3
201.05461	5.4
201.12679	0.5
203.10687	0.2
204.04193	0.2
204.15192	0.3
205.04921	0.7
207.02852	0.3
209.13208	0.2
211.03922	0.3
211.07623	0.4
211.11195	0.2
211.14861	0.3
213.05482	0.2
215.03535	0.2
215.14206	0.2
217.04968	0.2
219.02951	0.2
219.06506	1.6
219.13832	0.3
228.04172	0.8
229.04958	10.1
229.08511	0.3
229.12228	0.2
230.05302	0.2
232.03658	0.3
239.03384	0.4
239.14233	0.2
242.13022	0.2
243.10114	0.3
243.13794	0.4
246.05095	0.2
247.06070	1.4
257.01761	0.3
257.04434	5.8
257.08255	0.2
257.18976	0.6
258.04919	0.2
260.05743	0.7
267.17389	0.4
271.09705	0.5
274.04773	1.7
275.05426	0.4
285.03952	2.8
285.18427	1.5
288.05325	1.3
303.04968	100.0
303.07904	4.0
303.19495	1.5
303.23163	0.8
304.05273	3.4
314.21448	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	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03938	0.2
55.01863	0.4
64.02717	0.1
65.03935	0.7
67.01853	0.6
67.05501	0.4
68.99432	0.2
68.99788	2.6
69.03419	0.3
69.17121	0.1
70.42000	0.3
70.42380	0.4
81.03432	1.0
81.96996	0.1
89.87065	0.1
91.05475	0.3
93.03428	0.7
93.07034	0.2
95.04958	1.0
97.02910	0.1
103.05458	0.3
105.03403	0.2
105.07040	0.2
107.04931	0.3
109.02879	1.2
111.00797	2.0
111.04461	0.1
115.05437	0.3
117.07021	0.4
117.91782	0.1
119.32594	0.1
121.02853	2.3
123.04433	0.9
127.03900	0.6
129.07030	0.2
131.04935	0.6
133.06502	0.2
135.04408	0.7
137.02345	7.9
137.03372	0.3
137.05931	0.1
143.04857	0.2
145.02916	0.2
145.06519	0.9
149.02351	0.8
149.06004	0.2
151.03983	0.2
153.01833	11.2
154.02151	0.3
155.04898	1.3
155.06030	0.3
157.06552	0.2
159.04404	0.5
161.05994	0.9
163.03886	1.2
165.01839	4.3
166.02643	0.7
167.03397	0.2
171.02797	0.1
173.05984	1.8
177.01741	0.1
177.05481	0.4
179.03415	0.4
183.02893	1.6
183.04422	1.3
185.05981	0.2
187.03947	1.2
189.05515	0.2
191.03415	0.4
191.07071	0.1
195.02861	0.5
201.05466	5.0
205.04971	0.4
207.02864	0.3
211.03920	0.5
213.05432	0.2
215.03447	0.3
217.04922	0.2
219.02887	0.2
219.06534	0.8
228.04132	0.7
229.04955	9.5
230.05373	0.4
239.03400	0.4
245.04480	0.2
246.05281	0.2
247.06084	1.4
257.04456	5.3
258.04651	0.2
274.04712	1.2
275.05377	0.4
285.03900	2.5
286.04477	0.2
303.04990	100.0
304.05338	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	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.30279	0.3
55.01868	0.5
65.03928	0.6
65.19436	0.2
67.01843	0.3
67.05495	0.4
68.99786	2.4
69.03394	0.4
69.51248	1.1
69.51667	1.2
76.84377	0.3
81.03401	0.9
93.03387	0.7
95.04948	1.0
97.02896	0.3
109.02854	1.4
111.00782	2.1
117.06977	0.5
121.02871	2.3
123.04458	0.7
127.03916	0.8
131.04959	0.5
133.06464	0.4
135.04367	0.3
137.02335	7.9
137.03398	0.7
145.06458	0.9
149.02309	1.2
153.01822	11.4
155.04897	1.5
157.06476	0.3
161.05984	0.6
163.03864	1.2
165.01828	4.2
166.02623	0.4
173.06001	1.6
177.05548	0.3
179.03334	0.4
183.02858	1.6
183.04440	0.8
187.03903	1.3
191.03365	0.5
195.02814	0.5
201.05447	4.6
205.04965	0.5
210.82208	0.3
211.03796	0.4
219.06474	0.4
228.04131	0.6
229.04948	10.5
230.05119	0.3
239.03554	0.4
247.06010	1.2
257.04422	6.4
274.04672	1.6
285.03934	2.7
303.04971	100.0
304.05258	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	303.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01857	0.3
65.03934	0.8
67.01854	0.5
67.05481	0.3
68.99435	0.2
68.99786	2.8
69.03417	0.2
69.50441	0.8
71.01351	0.1
81.03411	0.8
87.78850	0.1
88.93948	0.1
91.05489	0.2
93.03397	0.7
95.04955	0.9
97.02888	0.1
103.05474	0.2
105.03372	0.2
107.01360	0.1
107.04948	0.3
109.02879	1.3
110.03685	0.1
111.00796	2.1
111.04401	0.2
115.05470	0.2
117.06969	0.5
119.04967	0.2
121.02865	2.3
123.04427	1.0
127.03909	0.7
127.05340	0.1
128.06181	0.1
131.04906	0.5
133.02794	0.1
133.06529	0.2
135.04439	0.7
137.02338	8.3
137.03357	0.4
144.09103	0.1
145.02788	0.1
145.06459	1.1
147.04338	0.2
149.02325	1.0
153.01822	11.7
154.02130	0.2
155.04890	1.2
155.06038	0.2
159.04427	0.3
161.05997	1.0
163.03903	1.4
165.01822	3.9
166.02655	0.7
167.03380	0.1
171.02930	0.2
173.05989	1.7
177.01871	0.2
177.05438	0.3
179.03348	0.5
183.02866	1.9
183.04420	1.3
184.05099	0.2
185.05963	0.2
187.03838	1.0
188.07045	0.1
191.03416	0.5
195.02884	0.4
200.04704	0.2
201.05461	4.5
202.05772	0.1
205.04976	0.5
207.02866	0.2
211.03877	0.5
213.05540	0.3
215.03345	0.2
217.05054	0.2
219.02885	0.1
219.06465	0.6
228.04158	0.5
229.04945	10.6
230.05325	0.3
232.03769	0.1
239.03574	0.5
245.04453	0.2
246.05327	0.1
247.05983	1.3
257.04434	5.8
259.14548	0.2
274.04703	1.5
275.05402	0.3
285.03943	2.4
286.04510	0.3
303.04971	100.0
304.05316	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05623	0.9
53.03946	1.6
55.01865	1.7
55.05506	1.6
56.96558	1.9
57.03437	3.4
61.02926	3.6
64.81078	1.0
65.03934	1.9
67.05507	33.3
69.03432	20.9
69.07065	13.9
70.02943	1.2
70.06596	3.4
71.41728	2.0
72.08160	1.4
78.81722	1.0
79.05523	1.0
81.03426	5.2
83.04984	1.0
84.04517	1.8
84.08151	3.5
85.02909	41.9
86.02416	1.7
86.03551	1.6
86.09697	2.7
90.47253	1.2
91.05522	1.5
94.06583	1.6
95.04974	55.7
97.02892	36.0
97.06524	1.2
99.04442	2.3
103.03940	4.9
109.02894	10.9
112.07611	38.4
113.06012	4.2
118.88352	1.1
122.06074	2.4
123.04411	1.9
124.07603	4.7
127.03900	9.3
136.07610	3.8
137.06018	7.7
138.09158	1.3
140.07065	100.0
141.07364	2.1
145.04987	2.8
147.04439	1.9
150.09230	1.4
151.03981	1.7
152.07066	1.3
154.08652	7.9
164.07051	2.0
167.79222	1.1
170.08127	1.1
178.08652	2.4
182.08142	66.1
189.00919	1.2
206.08101	14.9
218.08083	2.4
227.11458	3.0
233.26009	1.1
236.09262	1.4
248.09198	9.5
302.07358	1.5
302.12299	3.3
303.04980	4.7
315.99689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.6
59.20308	0.4
71.21951	1.1
81.65803	0.4
98.97585	6.1
102.96844	0.5
116.98629	6.8
119.01924	6.2
120.97885	0.8
134.99666	8.3
135.99968	1.1
137.02960	2.8
138.98891	0.6
153.00737	2.0
154.00934	0.6
166.22343	0.5
167.76881	0.4
177.00961	12.9
178.01048	2.8
179.00711	1.3
194.90239	0.4
195.01942	0.7
200.02669	0.5
201.00954	0.9
204.42863	0.5
217.04056	2.4
218.03621	2.6
219.02007	29.5
220.02156	5.8
221.01778	3.1
222.01729	0.5
225.00868	2.3
226.01144	0.7
232.96500	0.8
243.02002	5.9
244.02115	1.6
256.96692	4.7
260.04758	0.7
261.03058	100.0
262.03186	25.1
263.02887	2.4
274.94128	2.1
274.97659	2.7
277.01001	1.3
278.01080	0.7
278.97574	0.9
279.00589	4.9
279.98111	2.2
280.01114	0.8
284.04718	3.1
284.99490	0.5
285.04495	0.8
287.02069	0.5
292.95236	2.1
297.99023	0.9
298.97647	1.1
301.01050	0.9
302.93906	1.0
302.97330	0.8
303.00787	1.9
303.05344	6.3
320.98383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.0
55.05508	11.6
55.30597	1.7
56.96557	3.3
57.03435	5.2
58.92770	1.7
59.26173	1.7
61.02940	3.4
67.05508	6.9
69.03432	5.9
69.07072	4.0
70.06599	12.6
72.08155	100.0
73.02913	1.8
79.05489	4.2
81.03418	6.2
81.07061	6.4
84.08152	3.7
85.02907	50.6
86.09704	30.8
91.05479	8.0
93.07045	1.8
93.34367	1.6
94.06578	2.4
95.04977	5.9
95.53134	1.6
97.02899	18.4
97.06562	3.0
98.06043	2.5
98.97603	3.4
99.04433	2.6
101.57964	1.8
103.03962	3.3
103.05500	2.2
107.04993	2.0
108.08128	6.6
109.02866	8.6
112.07586	2.3
113.06026	2.2
116.07064	2.1
119.04913	3.1
120.08182	2.5
121.02881	4.1
122.06031	6.9
122.09779	2.1
125.06028	2.3
126.05537	4.6
126.09175	2.4
127.03914	12.7
130.06555	4.6
132.10214	15.0
135.04393	2.3
136.07573	11.2
136.25325	1.8
137.05957	2.9
140.07082	28.4
143.11798	42.3
145.02939	2.1
145.04944	5.8
147.04453	6.1
150.09148	3.1
151.03986	2.4
152.07085	8.8
153.01836	2.2
154.08650	2.5
157.13379	4.7
158.00052	2.1
163.03935	4.4
164.07050	12.1
171.11296	31.2
177.05540	2.4
178.08644	9.3
182.08136	48.7
193.12151	1.7
197.05974	3.2
198.06662	2.0
203.13922	10.1
206.08141	20.2
218.08099	2.2
248.09203	5.3
257.04379	1.9
257.08252	2.2
298.69437	1.9
302.04019	2.4
302.07333	5.9
302.11148	3.4
303.04996	13.3
303.08499	3.8
303.13324	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30013	1.0
53.03938	1.7
55.01866	1.8
57.03418	3.6
60.05655	6.9
61.02919	2.6
65.03933	2.5
66.49541	0.9
67.05507	38.5
69.03430	17.6
69.07067	16.7
70.06580	2.5
70.33067	0.9
70.65823	1.1
70.66177	3.7
71.04990	1.7
72.08163	1.5
81.03425	6.2
81.07043	1.2
84.04507	1.9
84.08148	1.4
85.02909	41.6
86.09676	2.4
88.58620	1.1
91.06614	1.1
94.06575	2.4
95.04972	56.7
97.02893	41.6
97.03523	2.1
99.04456	2.8
99.07366	1.1
103.03924	4.0
109.00813	1.2
109.02876	8.9
112.07612	35.0
113.06025	5.0
118.06129	1.2
122.06033	2.1
123.04414	1.9
124.07615	5.9
127.03901	7.9
134.06055	1.5
136.07573	2.8
140.07068	100.0
141.07417	1.7
144.28970	1.1
145.04965	2.1
150.09120	1.5
154.08650	8.5
168.06517	3.6
178.08643	4.4
182.08134	64.7
185.09155	2.9
206.08121	12.7
218.08051	2.6
227.11377	10.3
229.11768	1.2
236.09227	3.5
248.09207	8.4
280.19193	1.0
302.12466	3.3
303.05103	2.1
303.16507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.9
53.03927	8.7
55.01871	22.0
55.05514	18.9
56.96563	6.4
57.03442	43.1
62.40277	2.5
65.03925	5.6
67.05508	74.1
69.03432	5.9
69.07069	18.4
69.74233	19.3
71.04969	10.4
71.13567	2.5
73.02885	2.6
79.05496	93.7
81.03426	14.9
81.07056	68.1
83.04982	33.0
83.08601	9.9
85.02916	4.9
85.06516	10.6
91.05482	57.0
93.06477	5.2
93.07047	92.1
95.04971	28.5
95.08162	2.3
95.08613	28.5
97.02878	6.3
97.06530	20.8
98.97544	4.9
99.04433	8.5
105.07033	21.8
107.04955	61.0
107.08587	40.5
109.02864	4.4
109.06501	8.0
109.10136	9.3
111.03828	3.6
111.04459	45.5
111.08055	13.5
113.06015	3.0
115.05444	3.4
116.98656	7.0
117.07027	26.9
119.04955	6.5
119.08581	31.7
121.02865	2.9
121.06504	11.5
121.10143	68.7
123.04434	4.1
123.08048	6.3
125.05978	5.6
125.09515	2.9
129.06969	9.4
131.04904	9.9
131.08556	23.0
133.10100	5.0
135.08037	3.6
135.11696	62.8
137.02341	6.3
137.05971	18.7
139.11185	3.4
145.06448	9.3
145.09038	5.4
145.10127	69.9
146.99687	3.8
147.04466	13.5
147.11664	5.0
149.09581	12.8
153.01831	3.8
153.06914	7.6
153.12729	13.7
155.08549	12.8
157.10110	3.2
161.05980	5.0
163.11185	92.1
165.06938	3.1
173.09605	48.0
175.03937	8.6
177.76785	2.8
181.06500	6.6
181.12242	40.0
189.05322	3.1
191.10655	54.3
203.02054	2.9
207.06413	15.3
209.11719	28.2
226.06210	4.6
227.12788	31.5
229.00267	6.2
229.04939	3.6
230.05556	3.8
237.02888	3.8
241.04941	5.2
241.08502	4.8
258.05383	13.1
259.10834	3.3
269.04453	4.2
272.07990	5.6
283.15445	15.1
286.04672	19.9
299.04700	2.7
301.03558	6.8
301.07031	77.4
301.11096	23.9
301.16443	100.0
301.21542	5.4
302.07315	4.9
307.88586	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
53.43988	3.0
55.01876	17.9
55.05503	30.3
56.96554	4.1
57.03437	41.7
57.71995	2.6
59.64345	2.7
65.03931	7.9
67.05502	93.7
69.03405	3.3
69.07059	20.5
69.66724	20.1
71.04990	11.8
73.02886	3.8
79.05491	91.2
81.03427	16.9
81.06582	4.8
81.07052	71.6
83.04974	45.7
83.08611	7.2
85.02903	8.5
85.06532	8.6
91.05476	43.9
93.07040	85.2
95.04969	33.5
95.08601	32.9
97.06536	28.3
97.10162	7.2
99.04453	5.5
103.05497	3.7
105.07026	23.2
107.04948	57.4
107.08582	43.3
109.06519	8.5
109.10154	16.3
111.04437	49.5
111.08083	10.6
117.07014	26.5
119.08584	26.4
119.79227	3.4
121.06500	10.5
121.10136	77.6
123.08093	8.1
125.06007	6.6
125.09601	5.5
125.75040	2.9
129.05553	3.2
129.07002	8.9
131.04962	6.6
131.08566	22.0
133.10146	4.8
135.08069	6.0
135.11684	62.5
139.07652	3.9
142.23940	2.7
143.08566	3.6
145.06479	14.1
145.10114	72.0
147.08067	6.7
147.11711	5.8
149.09654	12.7
149.41054	2.7
153.07019	3.7
153.12747	25.5
155.08543	15.1
163.11179	87.7
173.09625	50.1
181.12227	37.9
191.10649	44.8
209.11684	18.6
211.77438	2.8
227.12831	35.3
258.05267	13.5
265.84442	3.5
271.08398	3.0
283.15540	10.3
286.04776	22.5
297.06503	7.8
301.03641	2.9
301.07071	59.6
301.16519	100.0
301.21738	5.0
301.25223	5.3
302.07303	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.9
55.01871	21.7
55.05511	27.9
57.03437	50.9
57.07055	3.7
59.05020	2.1
65.03927	4.6
67.05503	100.0
69.03403	4.1
69.07060	17.8
69.62268	10.4
69.62674	3.9
71.01334	1.9
71.04994	11.0
73.02905	5.3
79.05492	96.4
81.03429	15.7
81.07054	68.7
83.04984	44.7
83.08614	12.9
85.02902	7.9
85.06525	10.5
91.05479	50.6
93.03376	3.0
93.07040	98.0
95.04971	30.9
95.08602	38.4
97.02893	2.1
97.06528	25.2
97.10165	3.3
98.21521	1.6
99.04446	8.1
99.08089	2.5
101.02357	3.8
103.05427	2.4
105.07027	26.5
107.04955	59.3
107.08585	41.9
109.06490	9.6
109.10143	13.9
111.04446	56.3
111.08092	16.9
115.05435	3.4
117.07008	29.6
119.08579	29.0
121.06516	9.7
121.10144	75.7
123.04416	4.6
123.08053	6.0
125.05980	6.2
125.09618	4.3
129.06985	7.8
130.07820	4.3
131.04929	7.5
131.08582	23.6
133.10114	4.7
135.08073	6.1
135.11691	62.0
139.11165	2.8
145.06548	10.4
145.10118	75.5
146.10498	2.5
147.08044	6.0
147.11665	4.1
149.09630	12.8
153.07062	2.7
153.12752	21.4
155.08568	15.1
157.10168	2.0
163.11177	90.5
173.09650	46.8
174.89030	2.0
181.12233	41.9
191.10666	45.8
209.11748	17.3
221.97049	2.2
227.12784	29.2
245.13861	5.4
258.05273	13.8
265.14362	3.0
283.15381	8.4
286.04727	15.9
301.03787	1.5
301.07068	41.3
301.16452	92.3
302.07520	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39431	1.1
55.01877	1.5
55.05494	1.5
56.96561	4.0
57.03418	1.2
67.05492	3.9
69.03424	4.1
69.07046	3.6
69.65948	7.5
69.66368	2.6
70.06590	6.7
71.04984	2.0
72.08147	1.2
79.05489	2.8
81.03416	1.4
81.07027	1.6
84.04509	1.6
84.08138	5.7
85.02917	6.2
86.09703	2.9
91.05443	3.2
93.07019	1.9
95.04964	4.9
97.02887	5.7
97.06532	1.5
98.97579	2.6
106.69522	1.2
111.04403	1.9
112.07607	3.1
112.11236	2.9
116.98614	2.8
121.06522	1.6
122.02699	1.5
123.04427	1.5
127.03912	1.9
129.10234	2.2
134.99693	2.1
135.04448	2.6
137.05948	2.0
139.03882	7.9
139.07530	2.3
140.07062	4.8
146.99615	1.9
147.04436	3.4
149.05910	1.4
151.03940	3.8
163.03908	4.0
163.07468	1.2
167.07072	1.5
169.94923	1.2
175.03949	2.9
182.08130	4.1
195.04437	1.5
200.57857	1.3
207.06442	2.7
209.06154	1.5
213.05553	1.6
255.06500	3.9
258.05222	1.7
269.08014	1.7
283.05975	1.4
286.04755	2.1
301.07617	9.3
301.12576	100.0
302.12842	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37816	2.5
53.03932	8.8
54.49248	2.7
55.01868	21.3
55.05509	27.8
57.03185	4.2
57.03435	47.8
65.03933	4.5
67.05505	99.8
69.03432	6.1
69.07074	23.2
69.46257	25.0
71.04981	13.1
73.02911	5.0
79.05495	100.0
81.03418	19.3
81.07056	72.9
83.04977	43.8
83.08608	14.4
85.02874	9.5
85.06525	9.2
91.05477	49.0
93.06473	5.8
93.07043	95.0
95.04974	29.1
95.08607	35.9
97.02908	2.8
97.06525	27.7
97.10173	7.7
98.75465	2.6
99.04441	10.0
99.05061	3.7
105.07034	22.0
107.04295	5.1
107.04959	70.9
107.08576	42.8
109.06516	8.5
109.10164	16.3
111.04436	51.5
111.08064	17.4
113.05960	4.5
117.07025	26.6
119.08593	32.3
121.06481	7.2
121.10136	70.5
123.04420	5.0
123.08068	7.7
125.05997	6.9
125.09655	4.4
129.06985	12.0
130.07777	4.7
130.68207	3.0
131.04955	4.8
131.08578	24.0
135.08076	8.5
135.11696	68.9
137.09694	3.1
143.08450	4.2
145.06503	13.7
145.10115	82.1
147.08051	6.7
147.11639	3.9
149.09613	13.2
153.12724	25.7
153.24786	2.9
155.08560	12.0
159.10208	3.6
163.11182	87.8
173.09618	53.3
174.10027	3.1
181.12250	39.9
191.08957	3.9
191.10660	56.7
209.11760	16.5
215.36386	3.0
227.12820	26.9
258.05231	18.3
265.14349	6.5
283.15320	16.0
286.04718	25.9
301.03821	4.3
301.07083	61.1
301.16483	98.9
301.21588	4.3
302.07364	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	301.126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58970	0.5
56.96564	1.8
60.36870	0.5
62.59165	0.5
67.05500	0.9
68.34737	0.5
70.06590	1.6
71.59464	1.0
72.08154	0.6
79.05469	0.8
81.03435	1.0
81.07060	1.2
84.08151	1.5
85.02900	1.0
86.05952	0.5
86.09682	0.8
87.10609	0.5
93.03434	0.6
95.04970	0.8
96.06834	0.9
99.20008	0.5
103.41691	0.5
112.11248	0.7
122.57481	0.5
125.07093	1.1
129.10292	0.7
135.04425	1.2
137.05928	0.6
139.02901	0.6
139.03923	1.5
140.07130	0.7
147.04433	0.7
151.03908	0.9
151.19284	0.6
162.32303	0.5
163.03900	1.1
170.04652	0.6
171.07622	2.7
177.05476	0.8
181.06570	0.6
205.39674	0.6
216.17361	0.6
221.05109	4.0
231.71028	0.5
269.14987	2.3
272.39862	0.6
273.04385	0.6
273.07614	0.6
301.12573	100.0
302.13004	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	301.1071
Annotation	3',4'-Dimethoxy-3'-hydroxy-4,5-methylenedioxystilbene
Peak:m/z	Relative Intensity
50.56795	1.0
52.67467	1.0
53.03950	1.6
53.67681	1.0
55.01867	3.4
55.05513	3.0
56.96560	2.5
57.03437	1.5
57.07082	1.2
59.79087	0.9
61.80732	0.9
61.94627	1.3
65.03936	2.3
67.05507	4.1
67.63080	1.0
68.99789	2.7
69.03442	5.1
69.07066	4.1
70.06594	1.5
71.04990	3.8
71.08613	1.0
71.60985	1.7
79.05501	4.1
81.03410	2.2
81.07056	8.8
83.04993	1.7
83.08620	1.3
85.02879	1.3
85.06530	1.5
86.09705	1.7
91.05477	11.8
93.03418	1.5
93.07064	5.8
95.04981	3.8
95.08613	3.7
97.02876	2.0
97.06499	1.7
99.04472	1.4
102.05574	1.2
103.05489	1.1
105.07024	5.6
106.06654	1.2
107.04951	2.5
107.08604	3.5
109.02907	1.3
109.06547	2.1
109.10161	2.0
111.04430	2.4
113.04662	1.3
114.05537	1.5
115.05467	3.8
116.98633	1.5
117.06995	2.2
119.04953	4.3
119.08604	3.5
119.84447	1.0
121.02892	2.3
121.06528	3.7
121.10140	1.8
123.04417	2.5
128.06197	2.3
129.07034	2.8
130.06552	1.6
131.04965	1.9
131.08600	1.7
133.06514	1.3
133.10123	3.1
135.04372	1.3
135.11693	1.6
137.06024	5.2
137.09628	1.6
139.03880	3.3
139.07608	1.0
141.06970	5.6
142.07755	1.3
143.08562	2.6
145.06462	2.2
145.10158	2.5
146.05931	1.9
147.04437	3.3
147.08107	1.1
147.11736	1.4
149.02310	1.3
149.05992	4.5
151.07544	1.3
152.06174	5.9
153.01851	2.9
153.07014	17.6
155.08528	8.1
157.06523	2.6
157.10176	3.2
158.06068	1.3
158.09683	1.1
159.11702	3.1
161.05965	1.4
165.07008	65.2
167.07187	2.4
167.08504	2.2
168.05708	8.0
169.06537	6.0
170.07243	2.5
170.15390	3.4
171.04401	3.3
171.08022	1.3
171.11580	1.2
175.03981	1.9
175.07581	2.1
177.05508	3.9
177.06966	1.2
177.12729	1.0
180.05763	2.0
181.06493	23.8
182.07278	3.1
183.08058	45.2
184.05263	2.1
185.05963	5.8
185.13451	1.1
186.09190	1.3
189.05533	1.5
189.09291	1.2
193.06482	35.2
194.07228	1.6
195.08072	4.1
196.05214	13.5
197.06020	9.8
198.06711	6.3
198.14925	3.6
199.07480	2.7
199.14807	1.4
201.05592	2.0
202.06291	1.1
209.05965	5.3
210.06828	2.6
210.08974	1.0
211.07544	70.7
212.04716	2.5
212.08012	1.8
213.05472	7.5
213.09029	5.0
214.06197	1.3
214.12497	1.4
214.14355	2.1
215.07030	2.0
217.04958	1.3
221.07210	1.7
223.07552	3.1
225.05482	8.0
226.06204	7.6
227.07074	3.1
227.11673	1.8
228.04160	1.2
229.05002	3.3
231.06578	4.4
237.05519	3.0
237.60718	1.0
239.07030	100.0
240.04396	1.5
240.07408	2.9
241.05009	8.4
241.08540	8.6
243.06538	2.1
245.08167	4.5
251.07016	1.6
255.06560	3.6
255.11409	7.1
256.07312	2.1
257.08163	2.0
258.05270	14.9
259.10712	1.2
269.04459	13.7
269.08093	5.9
270.05215	2.0
271.09641	53.2
272.10229	2.0
273.04105	3.0
273.07687	3.7
273.11011	1.4
283.06046	3.3
283.10721	2.9
285.03961	7.5
286.04758	25.3
286.08072	3.4
300.10168	1.1
301.03558	6.2
301.07098	77.3
301.10767	48.7
301.15387	7.4
301.21631	4.7
301.24728	1.7
302.07449	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	301.07
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67041	0.1
52.74544	0.1
62.20913	0.1
67.05495	0.1
68.99789	0.1
73.35140	0.1
91.05461	0.2
93.34073	0.1
98.97540	0.1
116.98591	0.1
121.02842	0.1
121.84933	0.1
126.84315	0.1
144.52295	0.1
147.04388	0.1
149.05972	0.3
153.01822	1.9
153.06949	0.1
157.06567	0.1
161.06001	0.1
171.02881	0.1
181.06429	0.1
184.05190	0.2
185.05943	0.1
201.05417	0.2
212.04616	0.2
213.05443	0.3
217.04878	0.1
229.04948	2.9
230.05611	0.3
241.04813	0.2
255.06219	0.1
257.04459	1.4
258.05219	49.2
259.05563	1.5
269.04431	0.3
273.03833	0.1
273.07559	0.1
285.03879	0.7
286.04694	57.1
287.05038	2.0
301.07037	100.0
302.07382	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.107
Annotation	Methylsainfuran
Peak:m/z	Relative Intensity
53.03955	1.2
55.01863	1.7
55.05508	3.7
56.96567	1.8
57.03427	2.1
57.10015	0.7
61.62418	0.7
65.03928	2.0
67.05506	5.3
68.99784	3.6
69.03407	0.9
69.07054	1.6
69.55229	2.2
69.55650	3.7
71.04990	1.8
76.11594	0.8
79.05503	6.7
81.03410	1.0
81.07053	5.5
83.04971	1.8
83.08628	1.8
85.02911	1.5
89.23215	0.8
91.04968	1.0
91.05488	12.5
93.07055	4.8
95.04962	2.5
95.08614	2.0
97.06523	0.6
97.10149	1.4
103.05476	0.9
105.03423	1.0
105.07013	3.1
107.04955	30.0
107.08618	3.8
109.06534	1.1
109.10155	2.3
111.04460	2.0
111.08111	0.8
117.07043	1.1
118.04119	0.9
119.04945	13.1
119.08551	2.1
121.02907	0.9
121.06511	1.8
121.10185	2.2
123.04458	4.2
123.08038	0.9
124.05186	0.8
125.09622	2.0
129.06982	0.9
131.04915	0.9
131.08560	1.0
132.05702	0.8
133.10135	1.6
134.03598	1.0
135.04430	28.3
135.11661	1.5
139.03815	0.9
139.07510	1.5
141.07060	1.0
145.10114	1.9
147.04405	16.1
148.05202	3.4
149.01256	1.3
149.02350	7.5
151.03902	0.9
151.07561	4.9
151.08594	1.0
152.06233	1.1
153.05577	1.1
153.06935	1.9
153.12817	0.8
155.08595	1.2
156.05850	0.8
159.11745	0.8
161.05971	1.1
163.03911	100.0
163.07535	3.9
163.11211	1.6
163.65047	0.7
164.03296	1.1
164.04694	18.0
165.07040	1.9
167.07079	2.7
169.06488	1.9
170.07224	1.3
171.08067	0.9
173.05965	1.0
173.09639	1.0
174.12753	0.8
175.13252	0.8
176.04691	1.7
179.07043	28.5
181.04988	3.3
181.06503	5.5
181.12184	1.3
183.08112	0.8
184.05196	1.2
185.05956	1.0
187.03918	1.1
191.07033	3.6
191.10600	0.8
192.04210	1.5
195.08051	1.3
197.06033	4.2
198.05225	0.8
198.06680	4.3
199.07600	1.2
207.06531	34.2
209.05988	3.1
210.06688	1.7
211.07568	1.5
212.04761	1.7
213.05557	1.2
213.09145	2.8
215.07100	2.7
222.06802	0.8
223.07564	1.6
225.05461	3.2
226.06247	6.5
227.07117	4.9
227.12740	1.7
229.05220	1.0
231.08873	2.2
237.05504	2.3
238.06357	1.2
239.06981	1.6
240.07785	1.4
241.08569	8.9
243.06522	4.3
245.08167	1.2
252.07875	2.0
253.04938	3.0
253.08710	2.1
254.05791	2.0
255.06537	10.9
257.08215	0.8
258.05215	5.3
268.07364	0.9
269.08109	19.8
270.08865	12.0
271.06067	9.8
273.08026	1.0
273.11227	28.4
283.09781	1.8
283.20645	1.0
286.04791	5.2
286.08365	12.5
301.07104	21.5
301.10730	91.9
301.16455	2.4
302.07690	1.1
302.11087	1.9
319.14697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Koparin
Peak:m/z	Relative Intensity
55.01857	0.4
55.05503	0.7
57.03438	0.4
57.07064	0.3
65.03940	0.4
67.05495	0.9
67.71891	0.2
68.02687	0.2
68.99792	0.2
69.03420	0.3
69.07047	0.7
71.04987	0.6
71.60747	0.3
72.08150	0.2
79.05502	0.9
81.03417	0.8
81.07070	1.5
83.04981	0.3
83.08590	0.3
85.06549	0.3
91.05483	2.2
93.07070	1.3
95.04971	0.7
95.08592	1.0
99.45831	0.2
105.03399	0.7
105.07045	1.2
107.04961	0.6
107.08588	0.9
109.06491	0.5
109.10163	0.9
111.04445	0.5
111.08129	0.3
115.05515	0.5
117.06973	0.3
119.04930	1.9
119.08587	1.0
121.02855	0.7
121.06549	0.4
121.10139	0.5
123.04440	0.5
123.08076	0.2
128.06223	0.8
129.06992	0.9
131.04916	0.4
131.08572	0.8
133.02878	0.6
133.10135	1.0
134.03664	0.3
135.04390	0.4
137.02342	16.3
137.05957	0.6
138.02693	0.3
139.03885	0.4
139.05460	0.5
141.07004	0.8
142.07835	0.3
143.08580	0.3
145.02844	0.2
145.06490	0.6
145.10104	0.6
147.04425	0.8
147.11765	0.3
149.02376	0.5
149.06010	0.6
149.13307	0.3
150.03137	8.2
151.03830	0.3
152.06218	0.9
153.01826	0.5
153.05563	0.2
153.06987	1.4
155.08627	0.2
156.05716	0.3
157.06505	2.7
159.11734	0.3
161.06020	0.4
161.09662	0.4
163.03934	0.6
163.11227	0.3
165.07011	0.9
166.07709	0.2
167.03409	0.2
168.05779	0.6
169.06503	1.2
171.04433	0.6
171.08052	0.8
173.05989	0.3
174.06732	0.4
175.03934	0.4
177.05409	0.5
177.68237	0.3
181.06479	2.3
183.04387	0.3
183.08078	0.8
184.05200	1.9
185.05972	2.4
185.09686	0.2
185.13338	0.3
187.03917	1.8
187.07487	0.3
188.04628	0.4
191.03314	0.4
193.04971	0.3
195.04301	0.3
195.08139	0.6
196.05249	0.7
197.05984	4.3
198.06740	1.1
199.03975	0.6
199.07573	1.7
201.05508	2.4
202.06303	0.4
203.07097	0.3
208.05229	0.3
209.05975	0.8
211.03964	1.1
211.07544	0.9
212.04700	8.0
212.09166	0.3
213.05467	14.1
213.08957	0.6
214.05968	0.5
215.03413	0.5
215.06815	0.2
223.03835	0.2
223.07475	0.5
224.04628	1.8
225.05414	1.9
226.06374	1.2
227.06985	3.0
227.11842	0.3
228.04265	0.5
229.04927	1.3
230.05762	0.5
237.05457	1.0
239.06981	0.4
239.21094	0.4
240.04185	4.2
241.04953	8.6
241.08498	1.4
242.05551	0.3
245.08112	3.1
251.07260	0.3
252.04222	1.9
253.05023	1.2
254.05580	0.3
255.06529	9.9
255.10991	1.8
258.05188	1.7
258.09024	0.3
268.03696	1.0
269.04468	7.6
269.07675	0.5
270.04868	0.4
273.07574	0.7
283.06003	5.7
283.09207	0.2
283.10623	0.3
283.20496	0.5
285.03894	1.9
286.04733	12.8
287.05203	0.4
301.07086	100.0
301.21582	1.1
301.24963	1.3
302.07449	4.0
318.82352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05505	0.4
59.58234	0.2
67.05483	0.6
68.99781	1.3
69.07069	0.4
70.14729	0.7
70.15143	0.5
71.04986	0.2
75.28609	0.3
79.05476	0.7
81.07043	0.9
86.09702	0.7
89.03917	0.9
91.05487	0.7
93.07041	0.7
95.04948	0.4
95.08601	0.4
95.78332	0.3
103.05453	0.3
105.03400	0.4
105.07064	0.4
107.08575	0.5
109.06512	0.3
109.08567	0.2
109.10150	0.3
111.00807	0.3
115.05437	0.7
117.03448	0.4
117.07006	0.3
118.70175	0.2
119.08620	0.5
121.02823	0.2
121.06536	0.3
121.10150	0.4
123.00797	1.2
123.04414	0.4
124.01615	1.5
128.06194	0.3
129.06992	0.7
131.04918	1.3
134.03638	6.9
135.27344	0.3
136.86836	0.2
141.06966	0.3
143.04893	0.4
145.06508	0.4
147.11656	0.3
149.02351	1.6
149.06009	0.4
151.03877	0.3
152.00999	1.2
153.01834	14.8
153.07011	0.3
154.02151	0.3
157.06516	1.0
158.92128	0.2
161.02293	0.3
161.05988	0.4
170.02092	2.1
171.04369	0.4
173.89955	0.2
174.06786	0.3
175.03891	0.7
179.20616	0.3
181.06406	0.4
185.06020	1.3
187.03923	0.8
197.05952	0.6
199.03938	1.2
201.05475	0.8
202.06241	1.8
212.04745	0.8
213.05493	5.1
227.07019	0.4
229.04962	13.1
230.05724	5.1
240.04253	0.3
241.04958	17.9
242.05377	0.6
245.08167	1.5
257.04572	0.6
258.05258	5.2
268.03665	0.7
269.04459	14.0
270.44235	0.3
273.07565	0.7
285.03912	2.6
286.04718	25.2
287.05045	0.7
301.07074	100.0
302.07489	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	301.0708
Annotation	Koparin
Peak:m/z	Relative Intensity
53.03943	0.3
55.01861	0.4
55.05500	0.7
57.03441	0.3
57.81265	0.2
65.03941	0.3
67.05508	1.0
68.99781	0.6
69.03419	0.3
69.07063	0.3
70.06596	0.4
71.04971	0.3
71.61004	0.4
77.03957	0.3
79.05485	0.6
81.03408	0.4
81.07064	1.1
83.04977	0.7
83.67814	0.2
85.02934	0.5
91.05477	1.2
93.03418	0.3
93.06528	0.2
93.07037	1.0
95.04968	0.6
95.08602	0.8
96.02129	0.3
97.06504	0.2
105.03391	1.6
105.07022	0.8
107.04964	0.8
107.08591	0.7
109.02854	0.2
109.10166	0.6
111.04442	1.5
111.08072	0.4
115.05447	0.3
115.39311	0.2
116.98628	0.2
117.07031	0.5
119.04917	0.3
119.08566	0.5
121.02877	0.6
121.06493	0.6
121.10120	0.6
123.04404	0.4
124.01597	0.4
125.02393	0.5
128.06215	0.4
129.07005	0.5
131.08597	0.5
133.02861	0.3
133.10129	0.6
134.03662	1.5
135.04420	0.8
135.11678	0.3
137.02345	1.8
137.05952	0.5
139.03891	1.5
139.05434	1.1
141.06984	0.5
143.08519	0.3
144.05760	0.3
144.19936	0.2
145.02910	0.2
145.06454	0.3
145.10107	0.5
147.04388	0.3
147.11703	0.4
149.02327	0.5
149.05962	0.6
150.03136	0.4
151.03918	0.5
152.01059	0.8
152.06189	0.5
153.01842	0.9
153.07002	1.4
153.12785	0.3
155.04852	0.2
155.08524	0.3
157.06522	1.3
157.10167	0.2
159.08136	0.2
159.11646	0.3
160.05190	0.5
161.02336	3.2
161.05911	0.3
163.03891	0.2
163.11166	0.5
165.07013	0.6
167.03397	3.5
167.04930	1.5
167.08560	0.2
168.05688	0.3
169.06479	0.6
171.04469	0.7
171.08110	0.3
173.13258	0.4
174.06810	0.3
177.01939	0.4
177.05441	0.6
181.06413	1.2
181.12253	0.5
183.04402	0.5
183.07967	0.4
184.05203	3.3
185.05971	2.4
185.13335	0.3
187.03935	0.7
187.07523	0.3
188.04675	0.6
189.05505	0.8
191.03368	0.2
191.10732	0.5
191.14305	0.4
195.04391	1.2
195.08078	0.5
196.05141	0.4
197.05997	0.8
198.06715	1.2
199.03972	0.3
199.07532	0.6
201.05467	0.7
202.06239	0.7
208.05194	0.2
209.05992	0.8
210.06703	0.2
211.07588	0.5
212.04694	4.6
213.05475	7.2
213.08850	0.3
214.05814	0.2
215.03416	0.4
216.04256	0.3
217.04965	0.4
217.08664	0.6
219.06583	0.4
223.03917	0.2
223.07664	0.3
225.05531	0.3
226.06223	1.2
227.06984	1.5
227.12820	0.4
229.04974	0.8
230.05746	2.7
231.06483	0.7
240.04181	3.5
241.04977	2.8
241.08623	1.1
242.05717	0.3
243.06482	0.3
245.04408	0.4
245.08109	5.2
251.07341	0.2
255.06534	3.4
255.11320	0.4
257.04446	0.5
258.05258	7.9
259.05893	0.4
259.10754	1.1
268.03641	1.7
269.04456	2.0
269.07993	0.6
273.04059	0.4
273.07535	1.0
283.05988	1.9
285.03900	0.6
286.04727	14.0
287.05191	0.4
301.07080	100.0
302.04163	0.4
302.07413	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	301.0696
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.01823	0.2
55.05474	0.3
55.37402	0.2
56.96519	0.3
58.54673	0.2
65.03909	0.2
67.01839	0.5
67.05460	0.4
68.99775	0.4
69.07048	0.6
71.04968	0.5
71.61035	0.3
77.44971	0.2
79.05452	0.4
81.07005	1.0
85.02866	0.3
91.05432	1.0
93.07001	0.7
95.04904	0.4
95.08604	0.3
98.97579	0.5
105.07006	0.5
107.04920	0.4
109.10061	0.3
115.05387	0.4
116.98647	0.3
117.03384	0.4
119.04906	0.4
121.06459	0.4
131.08505	0.5
133.06499	0.3
134.03592	0.4
137.05933	0.7
145.10088	0.3
149.05933	0.8
151.03923	0.6
152.06158	0.6
153.01814	3.3
153.07021	1.1
159.11661	0.4
165.06973	0.8
168.05643	0.4
169.06473	0.5
170.02074	0.7
170.07152	0.3
171.02867	0.9
175.03899	0.5
177.05386	0.3
181.06439	1.3
182.07283	0.3
183.08060	0.3
195.08113	0.4
197.05923	0.4
198.06718	1.1
201.05351	0.3
202.06230	0.3
209.06104	0.4
212.04645	0.4
213.05463	0.8
213.09059	0.7
217.04865	0.3
225.05392	0.2
226.06192	0.9
229.04932	3.8
230.05688	0.8
240.07524	0.3
241.04970	1.3
241.08583	1.3
245.08092	0.4
255.06573	0.3
257.04443	1.0
258.05240	39.2
259.05527	1.5
269.01880	0.2
269.04437	1.6
269.07962	0.5
273.03879	0.3
273.07550	0.2
285.03891	0.7
286.04718	51.8
287.05020	1.6
301.07080	100.0
302.07385	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	301.0707
Annotation	alnusin
Peak:m/z	Relative Intensity
55.01860	0.9
55.05495	0.6
56.46041	0.2
56.96552	0.4
57.03422	0.7
59.81948	0.2
60.16138	0.2
65.03930	0.4
66.41642	0.2
67.01865	1.2
67.05499	1.1
68.99789	1.9
69.07073	0.4
70.66123	0.5
70.66489	0.5
71.04969	0.2
73.02892	0.3
79.05488	1.1
81.03407	0.5
81.07047	1.1
83.04989	0.4
84.40659	0.2
85.02885	0.4
87.04467	0.2
91.05479	1.1
92.45126	0.2
93.07023	0.9
94.15293	0.2
95.04951	0.9
95.08596	0.8
105.03368	1.8
105.07016	0.9
107.04967	2.6
107.08566	0.8
109.10142	0.7
111.04430	1.5
111.08057	0.3
115.05439	1.0
117.07001	0.8
119.04956	0.3
119.08550	0.8
121.02916	0.3
121.10156	0.6
123.00715	0.3
123.04420	0.9
125.09590	0.3
129.06966	0.4
131.08501	0.3
134.03581	0.3
135.04431	1.2
135.08043	0.4
135.11671	0.6
137.02328	0.5
137.06023	0.3
139.03848	0.4
143.08551	0.3
144.05695	0.4
145.10077	0.6
147.04401	0.4
147.08061	0.7
149.02367	0.8
151.03926	0.3
155.08530	0.3
157.06514	0.6
160.05208	0.9
161.02342	4.6
161.05960	1.3
163.03896	2.3
163.11142	0.8
164.04564	0.4
167.03404	18.8
168.03778	0.4
169.06447	0.2
171.04408	2.5
171.08031	0.4
173.09523	0.2
173.11662	0.2
175.03923	1.4
175.07532	2.5
177.05402	0.5
179.03349	0.3
184.05159	0.6
185.04500	0.5
185.05956	0.6
188.04721	2.0
189.09186	0.4
191.10709	0.4
199.07597	0.4
202.06250	0.4
203.07040	9.4
205.05048	0.3
209.11676	0.3
212.04652	0.7
213.05510	0.6
214.06178	0.4
216.04175	3.7
217.04861	0.6
217.08592	1.5
219.06546	0.5
226.06227	0.3
227.07048	1.8
227.12787	0.3
229.07332	0.4
230.05768	1.2
231.06526	30.5
232.06914	0.7
233.08105	0.8
240.04211	1.9
241.04831	0.3
245.08113	6.2
247.08534	0.6
255.06438	1.6
255.21019	0.6
258.05270	0.5
259.06021	3.1
265.19626	0.3
268.03665	0.3
269.08127	0.2
273.07593	3.1
281.52185	0.2
283.05945	2.1
283.20502	0.2
286.04657	0.8
301.07065	100.0
302.07352	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	301.0709
Annotation	Koparin
Peak:m/z	Relative Intensity
55.01872	0.5
55.05483	0.3
62.67147	0.2
67.05499	0.8
68.99798	0.4
69.03431	0.5
70.85714	0.6
70.86055	0.3
71.04987	0.3
79.05479	0.4
81.03413	0.4
81.07052	0.9
82.00565	0.7
85.02876	0.3
89.03909	0.3
91.05476	1.1
93.07040	0.6
95.04990	0.4
95.08614	0.4
97.02905	0.4
98.97584	0.3
105.07041	0.8
107.04959	0.5
107.08620	0.7
109.10170	0.4
109.80029	0.2
115.05479	1.2
117.06999	0.4
119.04926	0.6
119.08552	0.4
121.06514	0.3
121.10147	0.3
123.89232	0.2
125.02419	0.4
128.06230	0.2
129.07005	0.4
131.08612	0.3
133.10094	0.3
134.03645	4.7
135.04472	0.3
137.02347	0.7
137.05994	0.6
139.05431	0.7
141.06952	0.5
143.04947	1.0
145.10089	0.4
152.00983	0.3
152.06233	0.4
153.01834	9.9
153.07018	0.9
155.94749	0.2
157.06487	0.7
157.10216	0.2
159.11737	0.3
160.05244	0.3
161.09589	0.3
163.03922	0.4
165.07030	0.6
167.04906	0.7
167.08588	0.3
170.02121	7.6
170.03519	0.5
170.07208	0.4
171.04425	1.9
174.06810	0.6
175.03957	0.8
180.05652	0.3
181.06488	2.0
183.04411	0.5
184.05208	1.1
185.05945	1.8
187.03975	0.4
191.03404	0.8
195.04413	0.6
195.08063	0.6
196.05243	0.4
196.36765	0.3
197.05974	1.1
198.06761	0.9
199.07637	0.5
201.05510	1.1
202.06245	2.8
203.03436	0.4
208.05263	0.5
209.06026	0.7
211.03957	0.8
211.07523	0.6
212.04654	1.4
213.05460	4.4
213.09021	0.5
215.07082	0.3
216.04385	0.2
225.05424	0.7
226.06235	1.1
227.06973	0.5
229.04974	9.1
230.05756	5.7
231.06152	0.3
239.06932	0.5
240.04121	0.5
240.07559	0.3
241.04968	10.2
241.08681	1.0
242.05478	0.5
244.08662	0.3
245.08131	2.8
255.06438	0.4
255.11168	0.3
257.04459	0.6
258.05228	1.5
269.04483	10.2
269.07980	1.7
270.04782	0.4
273.07529	0.5
283.05991	0.5
285.03955	5.4
286.04749	25.7
286.07617	0.9
287.05124	0.8
301.07098	100.0
301.21603	0.7
302.07410	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	301.0706
Annotation	Koparin
Peak:m/z	Relative Intensity
51.97436	0.7
53.03957	1.1
55.01873	1.3
55.05507	3.5
56.96557	0.9
57.03429	2.0
65.03952	1.2
67.05511	2.9
68.99786	3.2
69.03429	0.6
69.07053	2.6
69.82132	3.5
71.04980	0.9
73.02916	1.0
79.05487	2.7
81.03407	2.0
81.07058	4.4
83.04973	1.5
83.08616	1.2
85.02897	0.9
91.05480	4.1
92.02648	0.8
93.07047	1.8
95.01340	1.8
95.04965	3.5
95.08592	2.5
97.02905	2.0
97.06493	0.9
97.10149	1.4
105.03367	0.7
105.07027	2.4
107.04947	5.5
107.08591	2.1
109.02887	0.8
109.06521	1.7
109.10126	1.5
111.04456	0.7
115.05452	0.9
116.58233	0.7
116.98595	0.9
117.07022	1.3
119.04948	2.8
119.08575	1.4
121.02863	4.7
121.06493	2.2
121.10162	1.8
123.04411	4.8
123.08063	0.9
125.02333	1.2
125.05972	1.0
125.09615	1.3
128.06247	1.0
129.06995	1.4
131.08533	1.2
133.02895	0.9
133.06473	1.1
133.10088	1.1
135.04410	16.5
135.08075	0.8
137.02336	5.9
137.06010	4.5
141.06995	1.8
143.08545	1.0
145.06511	1.0
145.10149	1.8
147.04407	5.6
147.08015	1.3
149.02347	10.5
149.06007	0.9
149.09590	0.7
151.03944	2.2
153.06975	0.8
156.05727	1.6
157.06503	3.4
158.07227	0.7
159.11707	0.8
160.05115	0.8
161.05988	4.6
161.09599	0.7
163.03903	58.9
163.11221	0.9
164.04712	10.2
167.03328	0.9
168.05748	1.1
169.06473	1.2
171.04443	1.6
171.08064	3.2
175.03847	1.5
175.07545	1.7
177.05508	4.0
179.03430	2.4
179.07059	1.9
181.06540	0.7
184.05211	7.7
185.05989	6.6
189.05562	0.7
189.09122	1.5
191.07048	2.7
191.10779	0.8
197.06004	0.9
199.07556	4.5
199.94994	0.6
200.04709	0.8
202.06218	1.9
203.07085	7.6
207.06558	2.2
209.09692	0.6
212.04678	8.6
213.05501	9.2
215.07072	1.2
217.04994	0.7
217.08620	5.2
227.07028	26.9
228.07286	0.8
229.04951	1.1
230.05827	1.2
231.06573	1.5
240.04234	1.7
241.04956	1.7
241.08530	0.9
243.06453	1.4
245.08086	54.3
246.08449	1.7
255.06540	12.0
256.07104	0.7
257.04453	7.7
258.05194	5.5
268.03531	1.0
269.08115	1.8
270.08929	1.5
271.05936	1.0
272.06805	8.3
273.07593	29.8
273.11078	2.6
274.97992	0.8
283.05951	3.9
286.04727	5.4
286.08069	3.2
301.07095	100.0
301.10516	9.5
302.07394	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Koparin
Peak:m/z	Relative Intensity
55.01875	0.7
55.34774	0.4
70.14106	1.3
83.63058	0.3
89.03906	0.6
105.03385	1.4
107.04906	0.8
111.04453	0.6
117.39793	0.3
120.10307	0.3
123.04389	0.4
128.06204	0.4
129.03360	1.0
133.02893	0.5
135.04405	1.3
137.02397	0.4
139.05449	0.5
141.03702	0.3
147.04434	0.9
157.02858	1.2
161.02322	2.4
163.03880	2.5
167.03409	14.0
168.05760	0.8
170.03732	0.4
171.04469	0.4
171.08069	0.9
171.34587	0.4
175.03918	1.2
175.07564	0.4
177.05405	0.5
184.05194	1.3
185.05981	0.9
189.09120	0.6
193.04973	0.6
197.05975	0.6
199.07611	1.7
202.06316	0.6
203.07063	0.5
205.04863	0.5
211.07829	0.4
212.04665	2.9
217.08569	1.7
227.07016	3.5
230.05711	0.8
231.06511	0.9
234.04289	0.4
240.04173	3.7
241.04901	0.6
245.08104	6.6
255.06517	12.1
256.06964	0.5
258.05179	2.6
268.03656	1.1
273.07516	1.5
283.06012	5.1
286.04657	0.8
301.07062	100.0
302.07431	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	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
60.09511	0.3
67.87401	0.3
70.85075	0.6
70.85429	0.5
132.47414	0.3
134.03612	0.7
149.05984	0.4
153.01833	2.2
163.92032	0.3
213.05327	0.4
222.98529	0.3
229.04990	2.5
230.05779	0.4
241.04951	2.0
257.04575	0.8
257.81924	0.3
258.05255	33.3
259.05627	0.5
269.04416	2.8
286.04733	50.1
287.05148	1.3
301.07080	100.0
302.07382	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	301.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10032	0.1
55.05511	0.2
58.89733	0.1
60.67931	0.1
64.05588	0.1
67.01860	0.3
67.05489	0.1
68.99778	0.4
69.61565	0.1
69.61971	0.7
79.05511	0.1
81.03406	0.1
81.07040	0.1
83.04966	0.1
91.05477	0.3
93.07027	0.3
95.04935	0.1
95.08598	0.2
97.06504	0.1
98.22101	0.1
99.32951	0.1
100.49439	0.1
105.07019	0.2
107.04971	0.2
109.02884	0.1
109.10155	0.1
119.04935	0.2
119.08451	0.1
119.13074	0.1
121.06461	0.1
121.10099	0.2
131.04932	0.2
136.04340	0.1
137.02341	0.2
137.06017	0.1
139.03841	0.1
145.10117	0.1
147.04445	0.2
149.05975	0.4
151.03900	0.5
153.01823	2.4
153.06921	0.1
157.06447	0.1
163.11176	0.1
168.00525	0.2
171.02856	0.9
175.03925	0.6
177.05516	0.1
181.06523	0.2
183.02966	0.2
184.05263	0.1
185.05876	0.1
189.05409	0.1
201.05464	0.2
202.06351	0.1
207.06508	0.3
212.04585	0.2
213.05492	0.3
217.05032	0.2
226.06268	0.1
229.04974	2.2
230.05539	0.2
237.02774	0.1
241.04915	0.3
241.08675	0.2
245.13951	0.1
255.06580	0.2
255.11401	0.1
257.04483	1.1
258.05243	42.7
259.05634	1.6
269.04398	0.5
273.04083	0.2
273.07507	0.2
285.03989	1.0
286.04721	54.9
287.05048	2.1
301.07065	100.0
302.07413	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.07
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.69774	0.1
50.77960	0.1
54.75219	0.1
55.05502	0.1
56.96544	0.2
65.03925	0.1
67.01852	0.3
67.05492	0.2
68.99812	0.3
69.03404	0.1
69.07063	0.2
69.56382	0.1
71.60514	0.3
79.05486	0.3
81.03391	0.2
81.07034	0.3
84.03905	0.1
91.05471	0.4
93.07038	0.4
95.04914	0.1
105.07028	0.2
107.04965	0.2
107.08566	0.1
111.04451	0.1
111.93761	0.1
121.10078	0.2
125.02385	0.1
125.05986	0.1
128.98526	0.1
135.04393	0.2
137.05986	0.2
139.07523	0.1
145.10155	0.2
146.05992	0.2
147.71750	0.1
149.05972	0.4
151.03864	0.4
153.01822	2.5
171.02863	0.7
175.03883	0.5
181.06439	0.2
186.01636	0.3
202.06357	0.1
211.07507	0.1
213.05534	0.2
229.04961	2.3
230.05708	0.3
240.04095	0.2
241.04901	0.2
245.08215	0.1
255.06471	0.2
257.04361	1.0
258.05237	42.1
259.05618	1.3
259.10806	0.2
269.04340	0.3
273.07599	0.2
283.10843	0.2
285.03925	0.3
286.04715	54.0
287.05054	1.8
301.07059	100.0
302.07401	4.4
314.36285	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	301.0707
Annotation	UNII-W4KJT6YJP8
Peak:m/z	Relative Intensity
53.03921	0.5
55.01889	0.7
55.05502	1.0
56.96559	0.9
57.03440	4.6
65.03955	1.1
67.05492	1.8
68.99778	1.6
69.03416	1.4
69.07061	1.0
69.23135	0.5
70.06601	0.6
71.04982	1.0
71.27634	1.3
71.29787	0.5
72.08156	0.7
77.22995	0.6
79.05485	1.8
81.03417	1.1
81.07052	1.8
83.04985	0.8
84.04514	0.5
84.08120	0.7
84.80547	0.5
85.02868	0.9
86.09712	1.0
91.05476	2.4
93.07044	1.8
93.26914	0.5
95.04966	1.2
95.08606	1.0
97.02886	0.7
97.06532	0.7
97.10139	0.6
107.04951	2.1
107.08562	0.9
107.92898	0.6
109.02867	0.8
111.04466	3.9
115.05453	4.5
117.07037	0.7
119.04929	1.9
119.08572	0.9
121.02834	1.5
121.06491	1.1
121.10161	1.0
123.04437	1.3
124.07595	0.8
127.03887	1.4
128.06224	1.3
129.06992	1.2
130.08719	0.7
131.04938	0.7
131.08597	0.9
134.99718	0.6
135.04387	0.9
137.02361	1.5
137.05994	1.3
139.00293	0.6
139.03905	6.4
141.06998	11.1
145.06520	0.9
145.10121	1.0
147.04413	1.9
147.08073	0.9
149.02341	5.5
149.06015	1.4
151.03915	0.6
151.07468	0.8
152.06206	1.4
153.01840	0.9
153.06999	1.0
155.03456	0.6
157.06490	8.3
161.06093	1.2
163.03932	10.0
163.11227	0.8
165.07014	1.3
167.05019	0.6
167.07121	0.8
168.05690	4.0
168.34541	0.6
169.06494	9.6
170.07076	0.6
171.04416	1.1
171.08032	1.2
175.03865	1.5
175.07506	0.6
177.05493	1.4
179.03429	1.2
181.06503	2.4
184.05211	2.9
185.05977	5.3
187.03938	1.4
188.04706	0.7
189.05455	2.1
196.05190	1.5
197.05988	64.9
198.06506	2.4
199.03940	1.4
199.07399	0.6
201.05531	0.9
203.06992	0.7
211.07451	3.1
212.04727	4.4
213.05469	31.6
214.06023	1.3
215.07062	0.7
217.04953	2.5
223.07565	0.7
224.04640	1.3
225.05466	18.2
226.06125	1.9
227.07069	4.9
229.05019	1.5
230.05696	1.0
231.06511	1.0
237.05247	0.6
239.07062	1.4
239.11687	0.7
240.04189	1.0
241.04965	29.9
241.08679	1.7
242.05469	1.1
245.04306	0.7
245.08115	16.0
246.08411	0.8
255.06522	5.3
258.05270	1.9
268.03735	1.2
269.04462	51.9
270.04871	1.4
273.04071	1.2
273.07605	7.9
283.06061	5.5
285.03992	1.5
286.04755	6.2
301.07086	100.0
301.10672	8.6
301.21735	1.2
302.04105	1.3
302.07462	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	301.0708
Annotation	Fisetin 4'-methyl ether
Peak:m/z	Relative Intensity
51.02379	0.6
53.03953	0.9
55.01859	1.7
55.05500	2.4
56.96553	1.0
57.03436	1.3
59.64954	0.5
65.03940	0.7
67.05501	3.2
68.29528	0.5
68.99792	1.8
69.03421	3.9
69.07067	3.0
69.73939	2.1
69.74342	1.0
71.04987	1.2
77.98507	0.5
78.82745	0.6
79.05502	3.4
81.03415	2.2
81.07059	5.0
83.04963	1.3
83.08622	1.0
84.08138	1.0
86.00668	0.8
91.05495	5.3
93.07055	3.6
95.04960	3.3
95.08617	3.5
97.02885	1.3
97.06516	1.1
97.10165	0.6
99.04465	0.9
103.05506	0.7
105.03398	0.7
105.07029	2.6
107.04951	8.6
107.08576	3.5
109.06539	1.4
109.10146	2.9
111.04456	1.1
111.08064	1.0
115.05481	0.9
116.98613	0.6
117.06973	1.0
119.04928	1.9
119.08577	2.0
120.29659	0.6
121.02893	3.4
121.06497	1.3
121.10134	2.4
123.00782	1.0
123.04424	3.4
123.11744	0.7
128.06238	1.7
129.07025	2.3
131.04936	0.8
131.08598	2.6
132.01161	0.6
132.05765	0.9
133.02815	0.5
133.06525	0.7
133.10136	2.7
134.03607	0.5
134.99594	0.6
135.04416	1.9
135.08054	1.0
135.11710	1.5
137.02348	4.6
137.05969	1.7
139.03897	1.1
139.05452	1.1
141.06975	1.5
143.08617	1.0
145.02945	0.6
145.06499	1.6
145.10107	2.7
147.04396	1.6
147.11676	0.9
149.02347	7.6
149.05919	1.3
149.13329	0.7
151.03940	1.6
152.06157	1.2
153.01810	1.7
153.05493	1.6
153.07014	3.6
155.04918	0.8
156.05638	0.6
157.06488	8.3
157.10130	1.2
159.11694	2.0
160.05241	0.8
161.02368	0.6
161.05989	1.6
161.09595	1.0
161.13245	0.6
162.03027	0.5
163.03912	7.5
163.11256	0.6
164.04662	1.7
165.01926	0.5
165.05618	0.7
165.06993	2.8
167.03383	2.0
167.04916	1.4
167.07124	0.9
168.00563	1.3
168.05638	1.1
169.06535	1.8
170.07306	0.9
171.03014	0.9
171.04372	1.0
171.08038	1.0
171.11679	0.9
173.05992	0.7
173.13254	1.3
174.06819	0.7
175.07530	0.7
175.14809	0.6
177.05443	2.2
177.06877	0.7
179.03436	1.4
179.07106	0.7
180.05708	0.8
181.06482	4.6
182.07317	1.3
182.26366	0.5
183.02919	1.6
183.04399	0.9
183.08076	0.9
184.05179	6.4
185.05972	11.7
185.09595	0.7
185.13174	0.8
186.01599	2.8
187.03902	1.0
187.07623	1.3
188.04665	0.6
190.88091	0.6
191.10690	0.9
195.04303	0.7
195.08051	1.1
196.05118	0.6
197.04446	0.7
197.06036	2.4
198.06789	2.4
199.07535	2.4
201.05481	1.7
202.06219	1.2
202.08952	1.1
203.03436	0.6
203.07138	1.1
203.09337	1.8
207.06412	0.6
209.06084	1.1
210.06808	0.8
212.04680	5.5
212.08112	0.6
213.05469	23.5
213.09120	2.5
214.06079	0.7
215.07108	0.8
223.07626	1.2
225.05469	0.9
226.06259	2.8
227.07010	3.9
229.04987	13.6
230.05649	3.9
231.06699	0.6
237.02872	1.7
240.04187	2.0
241.04984	7.1
241.08604	3.4
242.05534	0.9
243.06461	1.1
244.09723	0.6
245.08098	55.3
246.08429	2.4
255.06398	2.7
255.11340	0.6
257.04547	3.4
258.05246	9.4
268.03659	0.7
269.04510	2.0
269.08151	2.4
270.08957	0.6
272.06845	2.2
273.07556	22.9
273.11081	1.3
274.07867	1.1
283.06088	1.7
283.09784	0.7
283.20407	1.0
285.03973	6.8
286.04724	18.8
286.08072	1.6
301.07111	100.0
301.10672	16.0
301.21567	2.9
302.07507	3.1
302.10831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Koparin
Peak:m/z	Relative Intensity
55.01868	0.2
55.05502	0.3
56.05016	0.2
56.96544	0.6
57.03446	2.2
65.03928	0.3
66.52132	0.2
67.05497	0.5
68.99787	0.5
69.03424	0.4
69.07058	0.2
69.52659	1.5
70.06566	0.3
72.08138	0.2
76.02227	0.5
77.03952	0.2
79.05485	0.4
81.03430	1.1
81.07037	0.6
83.04990	0.4
84.04505	0.4
84.08113	0.3
85.02917	1.3
86.00642	0.2
86.09699	0.3
87.04462	0.5
91.05478	0.9
93.07038	0.5
95.04966	0.4
95.08590	0.2
96.04510	0.2
98.20766	0.4
98.97557	0.4
104.05671	0.2
105.03394	0.7
105.07034	0.3
107.04939	0.3
107.08598	0.4
109.02827	0.3
109.10172	0.3
111.04443	0.8
115.05445	1.0
116.98598	0.3
119.04929	0.8
121.02864	0.9
121.06527	0.3
121.10149	0.3
123.04420	0.2
127.03956	0.2
128.03459	0.2
128.06206	0.7
128.07063	0.2
129.07005	1.4
130.05003	0.2
131.04890	0.3
131.08580	0.2
133.02866	0.6
133.10092	0.4
134.03629	0.2
135.04407	1.2
137.02347	17.6
137.05962	0.3
138.02698	0.4
139.03896	0.8
139.05464	0.2
139.07547	0.3
141.06999	2.3
145.06525	0.4
147.04405	3.0
149.02286	0.9
150.03139	2.5
152.06215	0.2
153.07013	0.4
155.04916	0.3
156.07947	0.3
157.06500	7.4
158.07184	0.2
160.05193	0.4
162.02155	0.2
163.03928	0.8
164.04674	0.3
165.05467	0.4
165.07053	0.2
166.06914	0.3
167.03441	0.2
167.04970	0.3
167.06981	0.3
168.05717	0.8
169.06480	1.9
171.04399	1.4
171.08014	1.1
173.05894	0.2
175.03931	0.8
176.04736	0.3
177.05450	0.3
181.06479	0.6
183.08041	0.4
184.05190	1.0
185.05975	3.1
187.03900	3.4
188.04671	1.7
189.05472	4.0
191.03401	1.2
192.04176	0.4
193.04977	1.4
193.52013	0.2
194.02155	0.7
196.05214	0.6
197.06000	7.3
198.06543	0.4
199.03917	1.1
199.07570	0.3
201.05467	0.6
203.07320	0.3
207.02907	0.3
211.04042	0.3
211.07539	1.1
212.02586	0.3
212.04672	2.1
212.07430	1.4
213.05475	29.1
214.05910	1.0
215.03418	1.7
216.04065	0.5
217.05055	0.9
223.04289	0.2
224.04657	0.4
225.05490	2.9
226.06203	0.4
227.03447	0.3
227.07018	3.5
229.05013	0.4
230.03355	0.6
230.05524	0.3
231.06468	0.6
236.03477	0.3
239.07076	0.3
240.04240	1.2
241.04965	23.0
242.05408	0.7
245.08047	2.2
255.06534	3.4
257.04272	0.6
257.08212	0.3
258.05209	0.8
268.03723	2.6
269.04468	18.6
270.04819	0.7
272.04413	0.4
272.11484	0.2
273.07480	0.9
283.06027	2.1
285.03757	0.4
286.04730	6.3
287.05032	0.3
301.07080	100.0
302.07410	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
52.12770	0.4
53.03931	0.5
55.01876	1.0
55.05510	2.9
56.96557	0.5
57.03451	2.1
59.04990	0.4
62.63958	0.4
65.03938	0.5
67.05513	4.2
68.99794	2.1
69.03415	1.4
69.07061	2.6
70.73366	1.1
71.04984	1.9
72.08182	0.5
73.35251	0.4
79.05486	2.7
81.03414	0.6
81.07056	6.5
83.04979	1.3
83.08611	1.3
85.02914	0.6
91.05476	5.1
93.07047	4.6
95.04976	2.1
95.08605	3.3
97.02904	0.6
97.06516	2.5
97.10182	0.5
97.65926	0.4
99.00799	0.5
105.07035	3.4
107.04974	1.4
107.08603	2.9
109.06518	0.9
109.10158	2.8
111.04431	0.7
111.08112	0.5
112.01553	0.7
115.05447	0.8
116.98628	0.4
117.03323	0.4
117.07013	1.4
118.04158	1.7
119.04959	1.5
119.08595	2.7
121.02850	1.7
121.06496	1.2
121.10142	2.4
122.17059	0.4
123.04410	2.7
123.11720	0.9
125.09628	0.9
127.00277	0.6
128.06247	1.2
129.05452	0.7
129.07025	0.7
131.08588	2.2
133.10129	2.4
134.03629	1.7
134.99706	0.6
135.04443	0.7
135.08083	0.7
135.11688	1.3
137.06030	0.9
137.09653	0.5
139.03885	0.5
140.01031	1.6
141.06944	0.8
143.08531	0.8
145.06509	0.7
145.10149	1.9
147.04414	1.0
147.11667	1.2
149.02322	0.6
149.06000	1.0
149.09618	0.6
149.13269	0.9
151.03934	0.4
151.11156	0.7
152.06197	1.1
153.01857	0.9
153.05692	0.7
153.06995	2.1
155.08537	0.6
156.05663	0.6
157.06551	0.8
157.10165	1.2
159.11708	2.0
161.02252	0.5
161.05951	1.0
161.09671	0.6
161.13136	0.5
163.03941	1.1
163.11206	1.1
164.07219	0.5
165.05800	0.5
165.07025	2.2
165.76024	0.5
167.03410	1.0
167.07127	0.6
167.08505	0.6
168.00552	5.5
168.05688	0.6
169.01369	0.8
169.06505	0.9
169.10167	0.7
170.07300	0.5
170.10918	0.4
171.11609	0.7
173.05923	0.7
173.09584	0.8
173.13263	1.3
177.05467	1.0
181.06467	3.5
182.07292	0.6
183.04283	0.9
183.08046	1.0
184.05247	1.2
185.05977	1.0
185.09598	0.5
185.13297	1.0
186.01607	12.3
187.03957	0.5
187.07582	0.6
191.10681	0.6
195.08066	1.1
197.05951	1.1
198.06744	2.0
199.07533	0.9
201.05458	0.9
201.09213	0.6
203.07027	0.6
205.08655	0.8
209.05969	0.9
209.13249	0.5
211.07521	1.2
212.04707	1.3
213.05289	2.3
213.09062	0.7
215.06987	1.1
223.07521	0.8
226.06261	1.5
227.07021	1.6
229.05043	1.1
230.05618	0.7
239.07021	0.5
240.04198	1.5
241.04991	2.6
241.08466	2.0
243.06456	0.8
245.08156	1.1
249.69261	0.5
255.06613	2.1
255.11234	0.7
257.04428	1.0
258.05231	5.4
265.19363	0.4
268.03915	1.0
269.04431	1.7
269.08026	1.4
269.17450	0.9
273.03918	0.6
273.07526	1.4
283.06064	0.9
285.03973	11.3
286.04727	80.1
287.05109	2.4
301.07108	100.0
301.10623	12.6
301.21408	2.5
302.07458	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	300.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01862	2.7
55.05500	12.8
57.03438	3.7
58.99593	4.0
59.10847	2.1
62.63476	2.0
65.03922	3.0
67.05505	84.9
68.99792	6.3
69.03416	3.9
69.07049	10.2
69.74252	5.3
69.74661	8.6
70.20164	2.0
71.04969	6.1
72.08128	6.3
76.02219	12.1
79.05499	18.2
81.03394	3.0
81.07056	61.6
83.04947	3.1
83.08629	5.2
84.04497	3.5
85.01105	3.5
85.02888	2.9
85.06520	2.7
86.00618	2.5
86.99052	6.2
91.05481	11.9
93.07043	20.6
95.04954	10.3
95.08607	100.0
97.06500	3.6
105.00080	7.5
105.07017	12.4
107.04888	2.8
107.08588	10.8
109.06515	5.3
109.10154	75.7
117.07065	2.1
117.74848	2.1
119.08569	12.7
121.10152	6.7
122.02733	42.1
123.08061	8.9
132.01135	6.4
133.10124	6.6
135.11649	3.4
135.65433	2.5
136.06146	2.7
137.09596	8.9
139.00195	3.2
149.02269	4.0
151.14830	58.6
153.01811	3.5
153.06923	3.2
157.06511	2.4
159.04697	6.2
161.13257	9.1
172.38747	2.3
177.05495	3.5
179.14308	50.3
181.06458	5.0
184.05235	3.7
185.05844	2.3
187.03912	2.9
197.05925	2.6
198.06656	2.8
199.03908	2.6
200.27284	2.6
202.09021	13.4
211.07317	3.1
212.04666	2.2
213.05447	7.7
224.04733	3.1
227.03494	2.6
229.04875	2.5
239.06955	9.8
241.04880	5.7
242.05367	6.2
243.06795	2.6
245.04449	4.3
245.08064	13.2
257.04419	9.4
257.08047	4.1
258.05286	4.4
267.03537	2.8
267.06320	3.0
268.03891	2.6
269.04288	4.9
270.04849	5.0
272.06628	3.1
273.03867	10.1
273.07425	4.5
283.05957	8.4
284.06372	7.2
285.04041	6.0
285.07376	29.9
286.04672	7.6
300.06000	14.7
300.09546	52.6
301.03442	14.7
301.07022	42.2
301.10663	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	300.1079
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
55.01847	0.9
55.05518	0.7
56.05021	1.1
56.96574	1.0
57.10868	0.6
59.04987	0.8
69.03423	1.8
69.31243	7.9
70.06586	5.3
72.08149	1.5
78.01719	0.6
79.05515	1.0
83.04969	0.9
84.04504	2.7
84.08134	3.3
85.02915	1.0
86.09702	2.5
91.05476	2.1
93.05799	0.8
93.07050	0.8
94.06566	3.8
96.04511	1.0
96.27720	0.8
97.02863	1.4
98.97599	0.9
102.22662	0.7
103.05453	1.1
105.07051	0.9
110.06039	3.0
110.07111	0.9
111.04441	0.8
116.07113	0.8
116.98632	0.8
118.58669	0.7
120.04531	1.1
120.08100	17.9
121.08612	1.2
122.06020	1.3
124.03999	0.8
136.06198	5.1
136.07603	1.0
138.05502	100.0
138.09097	4.8
139.03830	1.2
140.07065	1.9
144.08258	0.9
157.09773	1.2
162.09152	1.5
163.03894	0.8
185.09167	0.8
196.74956	0.7
197.12810	0.9
209.76970	0.8
264.12308	1.7
285.43625	0.7
300.10858	5.0
300.14099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83838	1.0
53.03944	2.1
55.01861	4.1
55.05513	11.5
56.96555	1.9
57.03439	21.9
57.07066	0.9
59.04985	1.4
61.08973	0.9
65.03951	2.0
67.05506	42.8
69.03429	2.7
69.07072	17.1
70.56199	1.9
70.56554	1.9
71.05001	4.8
73.06564	2.0
79.05067	1.4
79.05498	24.5
81.03421	2.3
81.07059	100.0
82.07369	0.8
83.04998	9.3
83.08615	6.6
85.06549	7.2
86.79453	0.9
91.05485	42.7
93.07048	15.6
95.04977	6.9
95.08612	22.6
97.06525	10.8
98.97555	1.0
99.08078	4.8
101.06028	1.1
105.03371	2.5
105.07033	43.9
107.04954	3.9
107.08591	16.3
109.06538	10.1
109.10159	4.1
111.04463	1.4
111.08067	2.2
115.05444	1.9
115.07538	1.4
116.06229	1.4
116.98631	1.9
117.07006	1.9
119.04900	1.6
119.08582	35.5
121.10142	19.0
121.11012	0.9
123.04420	1.3
123.08057	4.9
123.11707	25.1
125.09632	1.2
127.07560	1.4
128.06264	1.1
129.07002	7.5
131.08577	12.5
133.02829	1.3
133.06508	1.3
133.10139	13.9
134.99666	1.5
135.04395	1.2
135.08130	1.0
137.05870	1.1
137.09644	1.4
137.13263	4.3
142.07768	4.0
143.08578	1.8
145.10164	2.2
147.04402	3.9
147.11691	90.4
149.09633	3.9
149.13145	0.9
151.03917	1.1
151.11130	2.0
155.04893	1.2
155.08546	1.7
156.09329	1.0
157.10127	12.7
159.08066	16.7
159.11728	1.1
162.03056	1.1
163.03856	1.0
165.07033	1.3
165.12759	59.1
169.10097	1.1
175.11198	12.6
177.05478	2.4
185.13298	1.0
189.12686	1.0
193.12242	12.7
193.13908	1.4
195.04521	1.3
196.05115	1.3
197.05972	1.6
197.15329	8.3
199.03981	1.2
200.04706	6.3
207.11713	1.0
211.13245	1.4
213.05476	2.1
215.07082	0.8
225.12868	1.6
225.14926	2.4
227.07010	1.5
228.04124	3.7
229.14369	1.6
238.06250	1.4
239.03529	6.1
239.06967	2.2
241.04939	12.0
243.06528	14.2
243.15887	1.8
253.05002	1.9
256.03714	1.4
267.06482	2.8
267.15887	2.4
268.03763	6.0
269.04453	18.4
271.05981	12.5
275.97852	1.7
281.18970	3.5
283.06021	24.1
284.03482	2.2
284.06775	25.4
284.09973	1.3
293.98724	1.6
299.05508	24.6
299.09131	73.1
299.18268	27.9
300.06009	2.0
300.09467	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	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	16.9
53.03937	7.5
55.01866	10.5
55.05516	47.7
57.03437	33.7
59.04995	8.4
67.05505	38.9
69.03428	5.6
69.07072	9.6
71.01352	10.2
71.04975	4.0
74.16410	2.6
79.05499	21.6
81.03431	11.7
81.07056	44.3
83.04987	7.7
83.08625	33.2
85.06575	5.7
85.76717	2.4
91.05482	54.8
93.07045	37.0
95.04952	13.6
95.08615	15.4
97.02908	14.4
97.06512	8.6
97.10178	4.0
98.20687	3.9
99.00819	52.8
99.04475	2.7
103.05481	3.1
105.07033	40.3
107.04968	13.7
107.08609	23.7
109.02883	22.2
109.06529	9.3
109.10178	15.9
109.77000	2.9
111.08095	11.1
115.03927	4.3
117.07027	8.5
119.04939	4.0
119.08585	26.6
121.06531	17.1
123.04470	5.5
123.08112	3.6
123.11724	8.3
127.03915	12.0
128.06224	4.0
131.08591	6.9
133.06508	3.4
133.09123	5.6
133.10133	100.0
135.08063	4.7
135.11713	3.4
137.05998	3.8
137.09662	2.8
139.07556	9.1
140.62831	2.3
143.08574	10.3
145.10143	2.6
151.11198	38.7
153.14034	2.5
157.10147	4.4
161.09625	52.3
165.09079	4.5
171.08104	12.3
179.10651	36.6
189.09120	35.0
197.11790	10.9
207.10159	12.1
225.11238	42.2
243.12248	5.9
291.71381	3.1
299.05469	5.3
299.14890	73.1
299.23743	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01859	4.4
55.05509	15.3
56.96554	2.0
57.03185	1.3
57.03437	18.0
59.04985	2.0
61.52024	1.2
63.41559	1.0
65.03925	1.0
67.05500	35.0
67.97053	1.0
69.03412	2.5
69.07064	14.0
69.42435	3.3
69.42867	6.0
70.12737	1.0
71.04980	3.7
73.06535	2.1
79.05064	1.2
79.05494	18.4
81.03403	2.0
81.07054	100.0
83.04984	8.4
83.08611	7.6
85.06534	6.3
91.05478	30.5
93.07053	15.5
95.04954	4.0
95.08599	24.0
97.06511	9.4
97.10136	1.7
99.08103	3.5
101.06061	1.2
103.03884	1.2
105.07027	36.7
107.04988	2.3
107.08588	13.5
109.06494	6.4
109.10162	5.0
111.08080	1.2
113.05987	0.9
115.07588	1.5
116.98626	1.5
117.07063	1.6
119.08581	35.6
121.06419	1.3
121.10140	18.7
123.08041	4.0
123.11700	29.8
127.07483	1.6
129.05447	1.4
129.06982	4.1
129.09033	1.1
131.08562	3.9
133.10132	6.9
136.06247	1.1
137.02345	2.1
137.05943	2.2
137.09624	1.4
137.13240	4.2
141.09048	1.6
142.07724	1.3
143.08522	1.3
145.10126	2.9
147.11681	76.6
148.12021	1.3
149.09605	1.7
157.10139	7.1
159.11697	1.8
163.57339	1.0
165.01714	1.3
165.12753	47.5
171.11708	1.2
175.11179	5.9
183.13783	2.9
193.12222	3.8
197.15340	6.3
201.05351	1.5
205.23166	1.0
211.07466	1.3
229.14311	2.4
238.06158	1.2
239.06915	1.6
241.04985	1.4
243.15921	1.5
256.03568	1.1
256.07187	1.2
267.06372	1.4
267.09024	1.1
267.15866	2.1
269.04581	1.7
271.05957	2.7
271.09634	2.0
283.05893	2.2
284.06665	2.7
285.10080	2.5
299.05460	11.5
299.09088	14.0
299.12723	2.2
299.18500	47.0
299.23801	2.1
299.67609	1.0
299.96982	1.2
300.06018	1.2
300.19235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	Tithonine
Peak:m/z	Relative Intensity
53.03928	0.6
55.01878	4.4
55.05505	1.3
56.96567	0.6
57.03424	0.8
57.07071	0.4
65.03933	1.1
67.05521	2.6
68.20070	0.4
68.99792	3.7
69.03426	0.6
69.07062	1.5
71.59927	0.8
73.89130	0.5
79.05474	2.0
80.39503	0.4
81.03404	1.8
81.07050	3.2
83.04979	0.8
83.08608	0.7
85.06508	0.5
86.08911	0.5
91.05482	4.2
93.07027	1.5
95.04941	1.5
95.08593	1.3
97.06505	0.9
103.05472	2.6
105.03391	0.6
105.07051	2.9
107.04951	4.5
107.08579	1.6
109.02939	0.7
109.06504	0.8
109.10132	1.3
111.04399	1.5
115.05450	1.5
117.03357	0.9
117.07018	0.9
119.04924	1.4
119.08548	1.5
121.02878	11.6
121.06469	1.0
121.10113	0.6
123.04466	3.3
123.08066	0.4
123.11684	1.0
128.06198	0.7
129.07002	0.9
131.04930	7.9
131.08496	0.8
133.02824	0.6
133.06416	0.8
133.10127	1.1
134.03635	0.8
135.04375	1.3
135.07956	0.5
136.06168	0.6
137.01392	0.8
137.02359	12.4
137.05957	4.0
138.03133	0.7
139.03879	1.0
141.01802	0.7
141.06993	3.2
143.08548	0.8
144.05656	0.6
145.00804	0.5
145.06540	0.7
145.10124	1.1
146.03635	0.8
147.04411	7.4
147.11670	2.1
149.09592	0.4
150.03166	3.2
151.03879	1.8
151.11147	0.6
152.01007	0.7
152.06155	1.0
153.05449	4.7
153.06949	3.1
154.07739	0.6
155.08546	3.3
157.06554	0.8
157.10173	0.5
159.04424	2.1
159.08003	0.7
159.11693	0.5
160.05235	4.1
161.05968	3.4
161.09715	0.9
162.03148	1.1
163.07503	0.8
165.05505	1.3
165.06998	14.6
165.12708	1.3
166.07649	0.6
167.03410	4.7
167.08516	1.0
168.05710	1.3
168.45468	0.5
169.06511	2.9
171.08041	0.8
175.02539	0.8
175.03928	12.2
175.07483	0.5
177.05447	2.3
178.07782	0.8
179.08461	0.6
181.06502	2.7
182.07307	1.6
183.02933	0.9
183.08034	5.4
184.05164	1.4
185.05948	1.0
189.05467	1.5
189.16071	0.6
190.06192	1.6
193.06474	4.4
194.07317	1.4
195.08029	0.9
196.05157	1.1
197.05962	5.6
197.09529	0.5
199.07495	1.4
200.04710	0.9
203.06889	0.5
205.04971	2.3
207.08038	1.1
210.06781	6.4
211.07552	21.9
213.05544	2.2
215.07059	0.9
220.05309	0.7
221.05983	26.2
222.06648	2.3
223.07469	1.9
223.14838	0.6
224.04709	2.4
225.05487	1.1
225.09135	3.8
227.06960	0.9
228.04160	0.9
228.07661	0.6
235.07509	1.5
237.05547	2.9
238.06242	6.3
239.07047	32.7
240.07552	1.2
241.04871	2.4
242.05562	0.8
243.06505	1.0
243.10216	0.9
249.05489	8.4
250.06273	6.1
251.06961	1.7
252.04178	1.1
253.04926	1.9
253.08575	5.6
255.06509	2.2
256.07248	1.9
266.05743	5.4
267.06537	33.2
268.07162	4.9
269.04459	10.9
271.06296	1.0
271.09622	5.4
281.08099	9.0
282.08676	0.7
283.06030	4.8
284.06784	7.3
285.09857	0.6
299.05515	12.0
299.09103	100.0
300.06259	0.6
300.09464	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	299.055
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.02376	0.1
53.03946	0.2
55.01873	2.6
55.05519	0.1
59.04987	0.2
65.03927	0.1
65.69398	0.1
67.01871	0.2
67.05498	0.1
68.99435	0.1
68.99791	1.4
69.03414	0.2
71.31211	0.1
71.31545	0.1
77.03922	0.1
79.01855	0.6
79.05495	0.3
81.03416	0.9
81.07080	0.1
83.01301	0.1
83.08705	0.1
85.56313	0.1
89.03921	1.3
91.05474	0.1
92.99786	0.2
95.04965	0.3
97.02882	0.4
98.97584	0.1
99.00813	0.4
103.01856	0.1
105.03399	0.2
105.07027	0.2
107.01289	0.1
107.04953	0.9
109.02879	0.4
113.02335	0.1
115.05437	0.3
117.03389	0.9
119.08566	0.1
121.02872	0.1
123.00826	0.3
123.04425	0.3
127.03905	0.2
128.06219	0.1
129.06999	0.1
129.82927	0.1
131.04904	0.1
131.08528	0.2
133.02838	0.2
134.03671	0.1
135.04419	1.5
136.06143	0.1
137.02342	8.9
138.02675	0.1
141.01826	5.5
141.06989	1.0
143.04916	0.2
144.05659	0.1
145.06451	0.1
147.00822	0.1
147.04391	0.2
151.03949	0.2
153.06946	0.1
153.19368	0.1
155.03412	0.8
157.02901	0.1
157.06490	0.1
159.04378	0.1
159.08075	0.1
159.55249	0.1
161.02333	0.2
161.05957	0.2
161.09650	0.1
163.03915	0.1
165.01837	9.4
166.02229	0.1
167.03401	0.1
168.05725	0.1
169.06487	1.2
171.04384	0.4
173.05972	0.2
175.03923	0.4
177.12672	0.1
179.03473	0.1
181.06581	0.1
183.02888	8.4
187.07574	0.3
189.05426	0.4
197.05965	1.5
197.13219	0.1
199.03903	0.3
200.04729	0.2
201.05431	0.1
203.03374	0.2
207.02792	0.1
207.04536	0.1
211.03767	0.1
215.07018	0.9
217.04932	0.1
221.04399	0.2
225.05486	1.0
227.03397	0.2
227.07111	0.1
228.04285	0.1
229.04990	0.2
241.05026	0.1
242.46980	0.1
243.06549	1.4
245.04439	0.6
246.37334	0.1
253.04939	1.2
257.04523	0.1
271.06006	2.0
275.97858	0.1
281.04428	1.4
284.06723	0.1
299.05490	100.0
300.05807	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	7-HYDROXY-8,4'-DIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
53.03953	0.2
56.96556	0.3
68.99790	0.5
69.07050	0.2
69.50539	1.2
69.50956	0.5
76.18913	0.2
76.36820	0.2
78.60669	0.2
79.05489	0.2
80.63875	0.2
81.07031	0.4
91.05477	0.3
93.07082	0.2
95.08581	0.3
98.57893	0.2
105.03349	0.4
105.07059	0.2
107.04951	3.1
109.06484	0.3
111.04417	0.3
133.02841	2.0
135.04411	2.1
137.05983	0.4
147.04395	5.1
153.06990	0.2
160.05208	0.3
161.06033	0.4
162.03122	0.8
165.05508	0.5
165.06956	0.3
171.04497	0.4
173.06068	0.3
175.03972	0.3
177.05464	4.3
183.08029	0.3
185.05981	0.6
187.07243	0.3
190.06226	0.5
196.05171	0.7
197.05977	0.6
199.03880	2.2
200.04680	0.4
201.05547	0.2
203.57924	0.3
210.06735	0.8
211.07553	0.8
213.05472	1.6
215.06874	0.2
221.05946	0.5
224.04596	0.2
238.06297	1.4
239.07018	1.2
240.04308	0.3
241.04945	20.7
242.05382	0.5
250.06287	0.3
252.04224	0.2
253.05014	0.3
255.06477	0.5
256.07297	0.7
258.40906	0.2
266.05728	0.5
267.06522	2.0
267.09167	0.7
268.03662	9.6
269.04437	30.0
270.04782	0.8
277.74298	0.2
283.06003	43.8
284.06772	38.2
285.07507	1.1
285.10135	1.1
299.09125	100.0
300.09488	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	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.92760	0.9
52.22706	0.8
55.05518	10.6
56.05031	6.6
56.96570	5.3
57.03436	1.6
57.07060	4.3
58.02949	2.3
60.04517	3.2
60.12036	0.9
65.03945	0.9
67.05177	1.6
67.05507	20.0
68.05028	2.2
68.05844	1.2
69.06730	1.3
69.07069	15.5
71.08624	3.0
72.04527	1.4
79.05492	14.1
80.05002	2.8
81.03409	1.0
81.07060	16.6
82.06590	7.3
83.08614	7.7
84.08158	1.0
85.10146	1.0
85.83874	0.9
86.06064	2.3
91.05488	7.1
93.07041	8.6
94.06558	3.4
95.04994	1.9
95.07349	1.2
95.08603	13.9
96.08131	2.4
97.06530	1.2
97.10174	3.9
98.06074	1.0
98.97592	13.0
100.07631	1.1
105.07029	3.9
107.08595	5.2
108.08099	1.0
108.24265	0.9
109.10171	4.2
111.83027	1.0
113.01779	0.9
116.98621	19.4
117.87804	0.9
119.08586	3.7
121.10139	3.8
122.09656	1.5
123.11734	1.9
133.10130	2.9
134.99654	20.4
135.11734	2.5
136.06154	6.9
147.11690	1.8
153.00699	5.8
183.93527	1.1
191.17929	1.0
215.69508	0.9
232.96538	1.7
250.25243	7.4
250.97481	1.6
252.27068	1.0
256.96423	2.2
262.25339	4.7
274.97543	19.6
275.97812	1.1
280.26352	100.0
281.26566	2.1
292.98578	19.7
297.99188	2.2
299.05301	1.6
316.00220	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
51.58551	1.5
55.05511	11.9
56.96850	1.4
57.07059	5.3
61.70597	1.3
62.06089	100.0
64.65577	1.3
67.05487	5.0
69.07070	12.6
70.02944	3.2
71.08636	1.7
77.98801	1.5
79.05485	3.9
81.07053	7.7
83.08621	9.6
91.05479	1.8
93.07041	2.0
95.08591	4.1
96.08949	1.5
97.06548	2.3
97.10168	5.7
105.87843	1.4
107.08593	2.0
109.10136	2.9
121.10130	5.0
123.11688	1.7
135.11716	3.9
136.06197	2.4
229.23160	1.5
274.97598	1.6
280.26382	3.8
281.24744	3.7
298.27438	29.0
298.30878	3.2
298.34494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01859	1.3
55.05517	14.9
56.05039	9.6
56.96574	8.0
57.03420	1.4
57.07090	6.0
58.02956	2.3
60.04528	6.0
63.78042	1.2
64.37347	1.3
67.05508	19.7
68.05019	2.6
69.07070	12.7
71.04977	1.5
71.08634	4.1
73.97500	1.1
79.05498	15.5
80.05026	3.1
81.07059	19.0
82.06577	10.3
83.04986	1.5
83.08605	9.9
84.08181	1.4
86.06097	3.2
91.05492	8.3
93.07045	10.0
94.06578	3.8
95.04974	2.2
95.08610	16.9
96.08150	3.3
97.10178	4.6
98.97597	18.8
100.07617	2.9
104.53498	1.4
105.07031	4.9
107.08607	4.6
109.10165	6.5
112.07598	1.4
116.98626	26.9
119.08603	2.6
121.10165	4.2
122.09618	1.3
123.11687	1.3
133.10165	3.7
134.98643	1.8
134.99664	34.8
135.11719	1.4
136.06189	8.6
139.54192	1.1
140.00259	1.2
140.89929	1.2
147.11702	2.8
149.13275	1.6
153.00711	11.5
158.01309	4.4
190.95390	2.1
208.96550	2.0
232.96419	3.5
241.58685	1.3
250.25320	8.2
250.97552	3.3
256.96503	4.6
262.25378	4.1
274.97510	36.5
275.97943	2.9
280.26364	100.0
281.26987	1.6
292.98572	35.8
297.99036	6.4
298.27478	4.1
299.05429	3.6
299.08978	2.8
316.00208	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	297.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	15.8
59.00565	1.0
69.96177	1.7
70.63684	3.3
71.95264	2.5
91.62672	1.0
98.97584	89.1
102.94981	1.1
116.98621	76.6
130.93283	2.2
134.99660	49.3
140.00177	2.1
140.15158	1.3
153.00697	8.0
172.94359	2.9
190.95404	7.6
208.96533	3.1
219.02060	1.6
221.93140	1.2
232.96486	5.9
234.99786	2.5
236.99960	1.1
250.97473	7.8
256.96323	10.8
261.03070	3.4
274.97510	86.4
292.98535	100.0
296.42642	1.1
316.00555	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0968
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01151	4.5
64.18641	0.2
65.63139	0.2
67.73787	0.2
69.03434	0.5
71.06400	0.4
74.18408	0.2
75.02705	2.1
89.39526	0.2
94.04050	0.5
97.02901	1.3
103.02141	0.3
106.87938	0.2
119.03541	0.9
136.06184	100.0
137.04565	0.6
137.06577	1.0
145.03157	1.3
152.43971	0.2
163.04269	1.2
238.07591	0.2
298.09619	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	297.2789
Annotation	Lactobacillic acid
Peak:m/z	Relative Intensity
55.01886	0.7
55.05511	17.8
56.96556	0.6
57.03433	0.8
57.07073	7.6
59.05001	4.8
67.05502	10.3
67.05872	0.5
69.03442	1.8
69.07066	100.0
70.07420	0.5
70.85763	0.5
71.04986	1.3
71.05711	1.0
71.08630	1.5
77.76607	0.5
79.05483	5.0
81.07054	26.4
83.04993	0.7
83.08617	19.1
83.09119	1.0
85.06550	4.0
85.10169	1.4
91.05471	2.9
93.07041	11.6
94.58526	0.6
95.04957	1.0
95.08607	24.4
97.06527	5.2
97.10169	5.8
98.97568	0.6
99.08096	2.4
105.07034	2.1
107.04964	0.9
107.08597	9.6
109.02940	0.6
109.10154	14.7
109.57240	0.5
111.08072	2.7
111.10936	0.8
111.11714	15.2
111.12437	1.0
113.09699	0.6
116.98620	0.6
119.08615	1.1
121.10138	8.0
121.10932	0.8
123.08032	0.6
123.11704	7.9
125.09618	1.0
125.13287	1.3
127.11192	0.6
129.12791	1.5
135.04388	1.0
135.08154	0.6
135.11678	4.4
136.06175	1.8
137.13223	4.3
138.40184	0.5
139.11166	6.5
139.14825	0.5
145.10077	0.8
146.90356	0.5
149.13258	8.4
151.14867	1.9
153.12753	0.7
158.17346	0.5
158.45178	0.5
159.11690	0.7
161.02386	1.0
163.03923	1.5
163.14803	1.6
165.16428	1.1
167.14331	3.2
177.16429	1.6
179.08578	0.5
179.17880	0.7
191.17903	1.4
194.07321	0.6
195.17384	0.5
205.06516	1.2
205.19534	1.5
209.18990	1.8
213.26646	0.5
222.06813	0.9
223.20497	0.9
234.06624	0.7
237.09143	1.3
261.25806	1.7
265.08615	2.7
279.06555	0.6
279.26840	6.8
297.07520	2.3
297.11258	3.6
297.22330	1.2
297.27869	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
56.96545	2.7
57.07079	1.0
61.20971	0.8
67.05489	3.1
67.29547	0.7
69.03395	0.8
69.07067	2.0
70.60386	0.7
70.85551	2.4
72.07742	0.7
78.36491	0.8
79.05482	3.4
81.07052	4.3
83.08624	1.0
87.00901	0.7
87.04449	0.9
91.05474	2.2
93.07037	3.4
95.04953	1.1
95.08587	2.9
97.06504	0.8
98.97575	3.0
105.07032	1.5
106.06754	0.7
107.04972	1.2
107.08580	2.5
109.06509	7.3
109.10160	1.7
116.98598	4.2
119.08589	0.9
121.10117	1.1
123.04482	1.0
123.08052	0.9
123.11705	1.7
133.10127	1.5
134.99666	5.2
135.04408	1.1
135.08022	1.0
135.11624	1.2
136.06125	2.2
137.05994	0.9
143.08502	1.4
153.00711	1.0
157.10120	0.9
159.08000	0.8
159.11658	1.1
161.02307	1.2
163.03868	0.7
163.11203	1.0
171.11632	1.0
191.10637	1.4
209.05898	0.8
209.11755	8.8
211.14812	0.9
237.09064	1.1
241.04982	1.1
251.16376	9.9
265.08472	2.0
267.03024	1.2
269.04431	0.9
270.05225	2.3
274.97586	5.3
279.15851	8.0
281.04349	3.6
292.98572	4.6
297.03836	2.5
297.07489	3.7
297.11194	4.9
297.16693	100.0
297.99014	1.1
298.04639	2.5
298.17032	2.5
316.66861	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2789
Annotation	Lactobacillic acid
Peak:m/z	Relative Intensity
53.03940	1.5
55.01868	1.6
55.05515	19.8
56.96555	2.7
57.03424	1.2
57.07079	9.5
59.04994	4.9
61.07431	0.8
67.05508	14.9
69.03425	1.9
69.07069	100.0
69.86908	4.8
71.04989	1.5
71.08620	3.8
79.05495	5.7
81.07056	26.1
83.04990	1.4
83.08621	20.7
85.06537	3.7
85.10181	1.1
91.05470	2.5
93.07050	13.9
95.04961	1.5
95.08613	29.2
97.06540	6.4
97.10165	7.2
98.21477	1.2
98.97579	5.8
99.08086	3.7
105.07023	3.0
107.08600	10.7
109.10150	14.8
111.04501	0.8
111.08067	3.1
111.11720	15.4
113.09651	1.1
116.98633	5.9
119.08598	1.6
121.10129	8.7
123.11710	10.6
125.09689	1.0
125.13250	0.9
127.11152	1.4
129.12773	1.4
131.08551	0.8
134.99649	9.1
135.11703	5.2
136.06161	4.2
137.13275	4.3
139.11182	7.4
145.10112	1.1
147.11768	0.9
149.13263	9.7
151.14777	2.8
153.00699	1.8
158.01228	1.4
163.14822	1.7
165.16359	1.6
167.14345	2.8
177.16335	2.2
191.17992	1.1
205.19617	1.0
209.19043	2.5
218.71065	0.9
223.20511	0.9
232.96579	1.1
261.25833	2.5
265.08536	1.2
274.97534	10.1
279.26816	8.2
280.10275	0.8
292.98541	9.0
297.07550	4.0
297.10904	1.4
297.18747	1.7
297.22208	2.1
297.27887	35.5
297.99173	1.6
298.04669	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01854	0.9
55.05503	0.8
56.05036	1.1
56.96550	2.5
57.03447	3.2
57.07066	1.5
59.26265	0.6
61.01164	1.1
61.02916	1.6
64.36141	0.6
67.05492	1.1
69.03433	5.3
69.07082	1.0
69.74013	2.6
69.74429	1.9
70.06579	1.9
71.01360	1.2
71.04978	2.0
72.08128	1.0
73.02917	1.0
74.06068	1.7
74.34681	0.7
79.05470	1.0
81.03393	1.5
81.04538	1.1
81.07063	1.6
83.04918	0.7
83.08597	0.8
84.04530	0.7
84.08144	2.1
85.02888	2.9
89.06052	0.8
91.05447	0.8
93.07023	0.9
95.04985	0.8
95.06088	1.3
95.08605	1.0
97.02862	1.3
98.97583	1.3
99.04451	1.2
107.04948	4.8
116.98582	1.0
119.04934	1.4
120.06506	0.7
121.02850	1.2
122.07110	1.8
123.04439	2.0
127.03876	0.9
133.06606	1.2
133.07610	10.1
134.99635	1.1
136.06187	23.9
136.07518	2.5
145.06462	1.1
145.07596	15.3
151.92848	0.7
152.07030	0.8
156.07718	1.3
163.03996	1.3
163.08673	63.4
164.07019	1.1
165.05478	1.3
165.10219	1.1
166.07271	4.1
207.08139	1.2
221.54897	0.6
253.20972	1.1
267.00186	0.7
279.10223	0.8
279.13248	3.5
297.14456	100.0
298.09720	0.8
298.14520	1.5
299.06119	1.6
309.08527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1333
Annotation	(-)-Mniopetal E
Peak:m/z	Relative Intensity
53.03937	2.1
55.01857	2.5
55.05511	12.9
57.03432	1.7
57.07065	6.2
57.25975	1.4
59.04992	3.6
67.05507	14.6
68.46640	1.2
68.99776	1.5
69.03429	24.5
69.07069	47.8
71.04974	3.9
71.08611	3.6
71.60615	2.3
79.05508	10.0
81.03381	2.1
81.06591	2.1
81.07053	29.4
81.87792	1.4
83.04980	2.5
83.08612	9.3
84.08117	1.4
85.06541	4.3
87.04472	16.9
91.05462	7.8
93.07039	14.5
95.04961	6.4
95.08614	33.1
97.06497	6.6
97.10177	3.4
105.07030	13.3
107.04961	4.7
107.08601	15.2
108.05766	2.5
109.06515	4.1
109.10159	41.9
111.04431	2.8
111.08073	3.7
111.11711	7.0
113.06046	2.1
115.03935	19.3
117.07053	2.7
119.04927	1.7
119.08582	100.0
121.06522	7.0
121.10169	10.2
123.04469	2.1
123.08080	30.6
123.11719	7.7
125.05999	2.1
125.09663	2.8
131.08586	3.9
133.06456	2.5
133.10141	4.8
134.49205	1.4
135.04445	1.5
135.08051	25.5
135.11674	6.3
136.06171	3.8
137.09615	10.8
137.13216	3.9
138.79964	1.2
139.07559	1.9
139.11165	3.3
142.07793	3.0
143.08649	3.0
145.10106	7.7
147.04428	1.5
147.08047	3.9
147.11688	2.7
149.05956	2.1
149.09633	3.1
149.13248	6.0
153.09109	1.6
153.12697	2.0
156.09366	9.1
157.10104	6.0
159.08064	3.4
159.11674	6.3
161.09576	4.0
161.13286	2.6
163.07602	3.3
163.11157	5.0
165.06972	1.7
165.09079	2.6
166.07785	1.4
167.07001	1.6
171.11696	23.6
173.09624	4.2
175.07512	2.2
175.11191	10.9
177.12726	9.1
183.10278	1.8
187.11165	6.6
189.12750	5.7
191.10664	12.2
193.08420	2.0
194.07262	3.7
199.11185	6.2
205.06511	4.0
205.12247	32.1
207.13899	1.8
215.10715	3.3
217.12242	73.4
218.12502	1.8
219.10210	2.4
222.06665	3.9
223.07585	2.1
223.13223	7.1
233.11734	19.5
233.37581	1.6
235.10870	2.7
235.13324	3.2
236.07977	3.4
237.08942	8.7
250.06184	2.3
250.09746	1.6
251.07231	2.7
251.10211	5.8
251.12755	54.2
261.11136	2.7
265.08533	9.9
266.12509	13.5
279.12329	24.3
279.26791	3.5
282.08765	2.5
297.04114	2.8
297.07553	6.4
297.10776	5.0
297.13690	51.2
297.16727	3.9
297.27872	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37386	0.5
52.68188	0.4
52.86958	0.5
56.45980	0.4
58.06604	0.7
60.08166	3.2
66.68670	0.5
66.89987	0.4
68.72065	0.4
70.43885	2.1
71.07359	2.3
83.15007	0.5
86.09706	20.8
104.10744	100.0
105.11104	0.8
136.20058	0.5
195.48946	0.4
236.99252	38.2
296.06601	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	296.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01881	0.6
55.05511	3.2
56.05044	0.6
56.96552	0.4
57.03446	0.8
57.07055	0.5
57.17390	0.3
59.05007	1.9
67.05509	2.0
69.03465	0.4
69.07076	2.8
69.46434	3.1
70.06603	0.6
71.04977	0.4
72.08166	2.5
73.06565	0.8
76.68813	0.4
79.05482	1.9
80.05044	0.6
81.03400	0.4
81.07056	3.5
82.06598	0.5
82.07386	0.4
83.04982	1.1
83.08615	0.8
84.08160	2.6
86.09706	0.9
91.05481	1.0
93.07050	3.0
94.06582	0.8
95.08612	3.1
96.08128	0.6
97.02958	0.4
97.06546	0.5
101.06020	1.4
102.09124	0.5
105.07034	1.1
107.04958	0.7
107.08607	3.0
108.08119	10.0
108.08862	0.5
109.08922	0.6
109.10152	1.5
110.09695	2.2
116.73114	0.4
116.98659	0.4
117.03400	0.4
117.07102	0.5
119.08607	0.6
122.09676	8.5
122.10495	0.7
123.10494	1.7
123.11741	0.5
124.11242	0.9
124.12033	0.5
130.08629	0.5
130.56654	0.3
133.10190	0.7
135.11700	2.8
136.11240	2.5
137.13269	1.0
143.05627	0.6
147.06422	0.4
150.12779	17.1
151.13565	6.7
152.14340	5.7
153.12735	0.7
161.13281	0.6
163.84172	0.4
164.14359	1.0
178.15918	1.7
179.14355	0.7
180.10182	1.6
194.07280	0.5
194.11884	0.4
198.11211	0.6
198.14883	2.5
206.19040	3.7
208.13344	1.1
222.06677	0.5
222.14963	2.5
223.15663	0.6
224.20081	0.8
237.09157	0.7
250.17979	0.9
252.19600	100.0
253.19936	1.2
254.21147	6.1
265.08582	1.0
281.08020	0.5
296.06430	0.6
296.10037	1.2
296.22208	63.2
297.07504	1.2
297.11188	2.0
297.22458	0.7
302.30966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2633
Annotation	METHYL LINOLEATE
Peak:m/z	Relative Intensity
51.54902	0.4
53.03949	0.5
55.01885	0.6
55.05515	13.5
56.80275	0.5
57.03445	1.1
57.07077	4.5
59.05006	2.0
67.05511	10.2
69.03440	1.7
69.07072	100.0
69.56332	2.3
69.56737	1.0
70.07431	0.5
71.04993	1.2
71.08633	1.8
74.47786	0.4
79.05496	3.4
81.03432	0.5
81.07063	18.8
83.04968	1.0
83.08624	7.8
85.02910	0.6
85.06542	2.8
85.10186	1.0
91.05489	1.6
93.07056	5.9
95.04970	1.0
95.08613	11.1
97.06534	3.2
97.10167	3.4
98.21507	0.5
99.08099	1.8
101.06038	0.4
105.07037	2.5
107.08607	5.4
109.02855	0.6
109.06543	1.0
109.10164	16.1
111.08085	1.4
111.11729	27.3
112.12024	0.5
112.53449	0.4
113.09661	0.4
119.08581	1.7
120.04530	0.5
120.08083	0.5
121.10151	6.1
123.08096	1.2
123.11722	5.6
125.09652	0.7
127.11181	0.9
129.12752	2.0
133.10161	1.1
135.11722	1.1
137.06087	0.5
137.09633	0.6
137.13278	1.9
139.11189	19.2
146.06021	0.7
147.11699	1.2
149.13229	2.8
151.11166	0.6
153.12770	0.7
157.12239	2.5
161.13335	0.8
163.14856	1.2
165.07112	0.4
165.12766	1.0
174.05498	0.7
175.14830	0.6
179.17957	0.5
193.15913	1.1
195.17685	0.4
203.17957	0.7
219.21071	0.8
219.63535	0.4
221.18797	0.6
234.10428	0.9
235.07597	1.1
250.09946	1.6
259.24203	1.1
265.12317	2.8
277.25262	5.1
279.10248	1.1
295.05942	1.2
295.09482	1.2
295.26331	23.8
296.18811	1.0
296.26700	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
50.93511	0.5
53.00316	0.6
53.03951	0.8
55.01871	1.3
55.05513	17.2
57.03439	1.6
57.07072	6.8
59.05001	2.4
59.43937	0.6
60.03937	0.6
62.95611	0.5
67.05505	14.1
69.03432	1.9
69.07069	100.0
70.07385	1.1
71.04993	1.4
71.08628	2.0
71.15331	0.9
71.15672	0.8
74.07014	0.6
79.05480	3.6
81.03403	0.6
81.07058	29.7
83.04987	0.7
83.08623	17.6
85.06566	4.6
85.10193	1.2
89.12438	0.6
91.05484	2.7
93.07040	9.0
95.04974	2.2
95.08610	19.0
97.06527	3.7
97.10181	3.9
99.08083	4.3
100.58990	0.5
104.02954	0.6
105.07026	4.6
107.08594	8.3
107.36649	0.6
109.06509	3.0
109.10159	28.7
111.08101	2.3
111.11723	25.0
113.09691	0.9
115.19198	0.5
116.59612	0.6
119.08589	3.7
121.10150	7.7
123.08094	1.6
123.11705	7.9
125.09646	1.0
127.11207	4.7
129.12767	2.0
131.08557	0.8
133.10165	3.0
135.11716	2.7
137.09647	2.5
137.13263	2.3
139.11185	17.9
146.06075	1.2
147.11729	3.1
149.13260	3.6
151.11180	1.5
151.14877	0.8
157.12228	2.6
161.13321	1.1
163.14835	2.2
165.12753	1.8
165.16499	1.1
167.14346	0.9
175.14847	1.3
177.16457	0.9
179.17986	1.1
181.15889	0.7
187.97884	0.6
189.16403	2.3
191.17964	0.8
193.15849	1.2
195.00505	0.6
203.17923	1.4
207.17546	1.0
219.21117	0.8
221.19086	1.3
224.08447	0.7
236.45528	0.6
259.24271	2.7
277.25293	8.9
295.05811	0.6
295.09634	1.0
295.26321	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03944	6.5
54.45256	1.7
55.01876	25.3
55.05512	45.8
56.96578	3.0
57.03440	4.7
57.06824	1.9
57.07082	11.2
59.05009	6.0
65.03926	2.7
67.05508	72.3
69.03428	3.9
69.07072	60.0
70.34200	6.3
71.04997	6.1
71.08643	17.4
79.05502	48.4
81.03427	11.3
81.07063	100.0
83.04993	14.3
83.08621	27.7
85.06552	8.9
85.10197	5.0
91.05486	32.1
93.07055	45.5
95.04981	18.1
95.08614	65.1
97.06523	15.5
97.10182	13.9
99.08104	13.9
103.05487	4.8
105.07039	48.4
106.07867	3.0
107.04968	3.7
107.08600	33.4
109.06512	9.7
109.10162	37.0
111.08099	28.3
111.11733	5.2
113.09656	8.0
117.07037	6.5
119.08595	17.7
121.06488	2.7
121.10150	22.2
123.08106	10.0
123.11709	30.8
125.09666	9.1
127.07602	3.1
129.07036	2.8
131.08594	4.5
133.06483	13.7
133.10159	15.2
134.07292	6.3
135.08072	22.8
135.11681	14.7
137.09648	8.0
137.13264	11.1
139.11182	12.2
143.08614	5.3
145.10146	4.8
146.06006	2.2
147.08105	2.0
147.11713	18.4
149.09674	2.6
149.13271	14.2
151.07582	5.0
151.11177	19.2
151.14850	2.0
153.12723	4.2
157.10135	3.2
159.11711	3.5
161.09659	2.5
161.13280	10.6
163.11198	5.6
163.14841	4.3
165.03780	13.0
165.12758	16.8
167.05286	2.0
167.14308	3.2
171.11678	4.6
173.13280	3.4
175.11215	4.2
175.14880	6.2
177.16472	2.4
179.14265	10.1
181.12289	3.1
185.13297	3.5
189.11255	6.4
189.12819	3.0
194.27190	1.7
207.11700	2.1
207.13799	3.1
217.19449	2.6
231.21039	4.1
241.19539	4.8
249.22214	6.5
259.20587	10.7
277.16394	6.3
277.21652	67.6
295.06000	3.4
295.17514	3.9
295.22784	43.1
295.26288	7.1
308.03229	1.5
316.80374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.03936	3.5
53.64056	0.7
55.01875	5.0
55.05512	100.0
56.96536	1.0
57.03427	1.5
57.07068	1.8
67.05502	14.6
69.03419	1.9
69.07066	6.3
70.78594	0.9
71.01977	0.8
71.04995	9.6
71.08629	1.8
79.05492	8.3
81.03400	2.6
81.07055	15.1
83.04981	2.8
83.08618	57.5
85.06523	1.8
87.04449	2.6
91.05479	5.5
93.07047	9.1
95.04942	3.0
95.08608	11.7
97.05916	1.4
97.06528	17.5
97.10162	6.4
98.20796	2.1
99.08070	2.3
105.07019	4.1
107.08598	6.9
109.06533	1.3
109.10166	6.8
111.08069	2.8
119.08570	5.4
121.10127	4.5
123.08054	3.9
123.11644	1.6
125.09646	4.1
131.08559	2.1
133.10155	4.7
134.99815	0.9
135.08037	1.2
135.11687	3.6
137.09569	4.9
139.11168	3.9
143.08530	1.2
145.10153	1.8
147.11702	2.0
149.13225	1.4
151.11194	2.3
157.10237	1.1
159.11696	1.9
161.13234	1.2
165.12735	1.6
171.11732	1.4
173.13272	1.9
175.14856	1.3
177.12747	1.1
185.13283	0.9
189.11250	1.5
193.12372	0.9
195.13815	11.4
197.13307	1.2
210.21996	0.9
213.14832	25.7
216.64076	0.8
221.15419	0.9
225.95201	1.2
231.20897	1.1
249.22093	3.7
259.20697	1.9
277.21658	9.9
295.22806	15.9
300.16293	0.9
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
51.58981	7.7
53.70809	7.4
55.01861	11.6
55.05517	47.3
63.27462	7.5
67.05505	99.6
69.07059	27.6
69.95184	46.1
71.04988	7.6
71.08635	46.4
79.05485	60.1
81.03417	10.5
81.07064	84.6
83.04967	19.8
83.08623	21.0
87.77586	7.9
91.05483	42.3
93.07048	85.6
94.95213	7.6
95.04967	12.2
95.08612	63.7
97.06510	11.4
97.10162	12.8
98.20837	12.0
99.08094	30.7
105.07040	25.2
107.08617	52.3
109.10173	39.9
119.08574	18.5
121.10134	42.5
125.09663	20.2
131.08572	11.0
133.10115	14.6
135.11687	49.9
142.70079	7.8
147.11694	14.3
148.50075	8.8
149.13225	22.1
151.11192	21.3
161.13181	11.0
162.97801	7.5
163.11086	9.3
175.44424	8.6
179.14313	100.0
180.33154	8.5
241.57956	9.7
259.20615	9.2
277.21680	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
50.87357	2.2
52.40536	2.3
53.03946	25.4
55.01872	11.6
55.05512	38.3
55.07487	2.7
57.07088	15.3
65.03938	3.2
67.05503	84.2
69.03432	4.6
69.07068	63.1
70.18199	3.9
70.18620	8.8
71.04987	4.5
71.08622	7.1
73.06528	2.9
74.62489	2.5
79.05058	5.1
79.05492	62.0
81.03417	99.7
81.07055	75.5
83.04989	24.4
83.08614	10.6
85.06535	3.6
85.10217	6.3
91.05475	35.3
93.07049	58.3
95.04970	55.1
95.08604	32.6
97.06523	6.8
97.10168	11.6
98.20718	2.5
99.08105	8.3
103.05447	5.0
105.07030	58.2
107.08588	31.4
109.06533	14.2
109.10154	23.9
111.08089	6.5
113.09650	2.8
119.08573	16.9
121.10146	14.6
123.08047	4.2
123.11714	11.9
125.09610	13.0
129.07025	3.7
131.08580	5.8
133.06490	16.1
133.10147	28.4
134.07292	8.8
135.08034	42.7
135.11694	11.6
145.10129	5.5
147.11705	20.2
149.13257	8.7
151.07533	7.4
151.09975	4.7
151.11172	65.7
153.09129	6.0
154.41637	2.6
157.10133	6.2
161.09560	3.2
161.13235	14.3
163.14812	8.6
165.03658	16.0
165.12724	17.0
171.10269	5.5
171.11708	5.8
173.13293	4.1
175.14824	5.3
177.12793	3.1
179.05255	6.5
179.14311	8.8
189.12825	4.0
193.12236	5.1
207.13831	6.8
217.19580	3.0
231.21063	16.4
241.19527	11.0
249.22177	9.8
259.20633	11.8
277.16522	5.6
277.21622	100.0
295.17380	6.3
295.22812	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.70624	5.6
53.03945	7.1
55.01876	31.2
55.05514	55.7
55.41310	4.7
56.96561	6.6
57.03444	9.3
57.07068	19.3
62.60561	4.6
67.05173	7.1
67.05507	92.2
69.03425	12.5
69.07066	32.0
69.79579	13.1
69.79992	20.6
71.04969	8.9
71.08633	26.9
79.05498	55.8
81.03414	13.1
81.07065	92.3
83.04999	24.7
83.08611	22.9
85.06554	6.4
91.05490	53.7
93.07038	60.4
95.04986	22.6
95.08614	53.0
96.34817	5.6
97.06526	18.8
97.10181	23.9
99.08099	11.8
105.07033	35.8
107.08605	41.6
109.06525	12.1
109.10166	28.9
109.10823	5.2
111.08074	33.3
114.51504	4.5
116.16292	4.5
117.07027	9.7
119.08582	22.3
121.10114	26.7
123.08065	4.9
123.11694	6.6
125.09620	13.0
129.06952	5.8
131.08571	10.9
133.06519	8.3
133.10141	31.9
135.11702	22.0
137.09624	6.8
145.10115	6.7
147.11691	18.0
149.13277	16.8
151.11169	23.9
152.68782	5.2
157.10158	7.6
159.11693	7.7
161.13258	16.1
163.11160	8.3
164.93298	5.2
165.12788	13.4
173.13213	9.1
175.11122	7.6
175.14832	9.3
179.14343	7.7
184.03598	4.7
189.11266	9.8
231.20975	6.9
241.19637	7.0
259.20636	6.7
263.00760	4.9
277.18726	3.7
277.21619	100.0
277.97458	5.8
280.57031	4.7
295.22745	50.0
310.07349	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03938	4.5
55.01864	8.8
55.05263	2.1
55.05508	23.7
57.03436	38.9
57.07061	5.6
65.03927	3.0
67.05502	62.4
69.07064	22.5
69.99339	11.9
71.04968	4.8
79.05057	3.5
79.05490	47.7
81.03384	4.8
81.07056	100.0
82.30951	1.9
83.04978	5.6
83.08617	14.6
85.06528	5.8
85.10166	2.5
86.59699	1.8
91.05478	27.4
92.80468	1.8
93.07046	48.6
95.04948	5.6
95.08605	76.0
97.06530	9.9
97.10150	7.9
99.08087	4.7
105.07024	26.4
107.08590	36.2
109.06496	7.1
109.10158	28.1
111.08073	8.8
113.09641	4.8
117.07018	7.8
119.08579	19.6
121.10146	35.4
123.08071	9.9
123.11677	9.9
125.09617	4.5
125.74907	2.2
129.07039	3.8
131.08559	12.0
133.10117	17.8
135.08063	2.9
135.11719	23.8
137.09592	5.9
139.11209	5.5
143.08543	2.6
145.10107	7.4
147.11728	12.2
149.09645	3.1
149.13251	11.5
151.11180	6.5
157.10094	5.6
159.11702	9.0
160.68373	2.0
161.13258	8.5
163.11095	3.3
163.14777	6.6
165.12755	8.4
169.09930	1.9
171.11656	5.0
172.29626	2.1
173.13219	4.2
175.14856	3.1
177.16402	2.3
185.13277	6.9
187.14780	18.4
193.12236	2.3
203.17929	4.1
205.15868	13.6
214.92670	2.1
221.19014	7.9
223.17012	9.8
235.17050	2.8
237.18446	2.2
241.19533	8.0
259.20554	15.4
277.21616	62.6
279.28665	2.0
295.06107	2.5
295.22717	23.2
299.45905	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	9.4
55.01870	12.3
55.05516	44.3
55.12754	4.2
57.03434	9.2
57.07072	20.2
67.05509	100.0
69.03446	5.0
69.07075	42.0
71.05000	10.6
71.08627	21.6
79.05497	50.4
79.13800	3.5
81.03419	13.7
81.07064	94.3
83.04993	21.9
83.08623	33.2
85.02949	5.7
85.06535	9.0
85.10171	5.8
91.05485	41.9
93.07053	74.4
95.04984	25.9
95.08606	60.6
97.06522	10.7
97.10188	26.0
98.20718	9.1
99.08099	14.8
105.07018	32.8
107.08605	35.4
108.08973	4.7
109.06510	13.7
109.10163	45.0
111.08059	7.7
117.07000	7.6
119.08566	26.1
121.10153	29.1
123.08112	5.4
123.11730	14.3
124.75144	4.3
125.09635	21.7
129.07002	6.3
131.08559	8.6
133.06461	5.3
133.10141	20.7
135.11671	20.9
137.09660	11.5
137.13239	4.2
139.11166	10.7
143.08551	5.5
145.10139	4.4
147.11699	17.5
149.09596	4.7
149.13251	13.8
151.11195	18.3
153.12761	4.2
157.10114	10.6
159.11725	5.6
161.13278	19.5
163.14886	7.4
165.12807	9.4
171.11722	9.3
173.13225	7.7
179.14340	5.5
185.13295	6.2
189.11240	6.4
193.12279	6.2
193.15918	4.5
210.12711	3.8
231.21062	5.3
241.19598	4.7
249.22144	9.2
259.20572	9.9
277.21613	98.8
295.05957	7.9
295.20276	5.3
295.22775	49.0
311.15768	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03943	3.6
53.47933	1.7
54.10314	1.7
55.01874	14.2
55.05515	26.6
57.03439	32.2
57.07066	6.8
59.04983	1.9
67.05506	64.2
69.07064	23.6
69.57512	10.9
69.57940	3.2
71.04994	4.6
71.08637	2.8
73.06526	1.6
79.05058	3.8
79.05492	46.6
81.03428	6.6
81.07056	100.0
83.04998	8.7
83.08617	15.8
85.02893	3.3
85.06543	5.1
85.10197	4.5
91.05483	28.6
93.07046	52.8
95.04964	10.6
95.08606	80.3
95.52294	1.8
97.06531	14.3
97.10177	8.6
99.08109	5.9
105.07037	25.4
107.04955	3.4
107.08602	39.7
109.06524	9.3
109.10168	31.5
111.08076	9.5
113.09651	7.4
117.07017	6.4
119.08579	22.1
121.10146	44.6
123.08030	10.5
123.11707	9.0
125.09663	5.1
129.07001	2.8
131.08563	12.3
133.10136	20.1
135.11690	26.2
137.09621	6.9
139.11174	5.7
143.08601	3.5
145.10112	13.7
147.11694	15.5
149.09615	3.9
149.13245	12.7
151.11200	7.7
157.10158	3.3
159.11699	12.0
161.13254	7.3
163.11183	5.2
163.14871	5.7
165.12708	10.8
171.11697	4.8
173.13312	6.2
175.14792	4.3
177.16260	2.3
179.14389	4.3
181.12260	3.9
185.13235	4.0
187.14822	19.1
193.12279	2.8
201.16385	3.2
203.17891	4.3
205.15901	13.0
217.34724	1.6
221.19023	7.7
223.16957	9.8
237.18517	3.1
241.19516	7.9
259.20593	14.3
277.21622	70.3
295.06168	3.7
295.15219	1.9
295.22708	34.8
300.28220	1.7
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	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03930	8.4
55.01863	25.8
55.05514	60.7
57.07066	21.6
67.05498	94.7
69.07066	45.6
69.32629	10.1
69.33031	59.3
71.05013	7.9
71.08633	15.3
79.05499	58.1
80.95620	5.6
81.03410	14.2
81.07061	100.0
83.04976	19.8
83.08617	31.4
85.02903	8.5
85.06522	13.7
85.10168	5.6
91.05487	46.0
93.07055	71.5
95.04955	24.7
95.08601	57.6
96.19147	5.7
97.06544	12.0
97.10175	23.5
99.08094	15.7
105.07018	39.1
107.08625	37.9
109.06502	10.0
109.10151	27.4
111.08074	37.1
113.09609	8.5
116.29371	6.5
117.07002	9.1
119.08569	27.6
121.10151	26.5
123.08067	9.4
123.11732	9.0
125.09634	10.4
129.06985	9.6
131.08574	10.3
133.10147	28.1
135.08134	10.4
135.11676	23.4
137.09676	7.3
137.13220	7.9
139.11211	7.3
147.11702	13.8
149.09595	9.6
149.13237	19.0
151.07559	8.4
151.11189	11.4
157.10085	9.3
161.13268	7.6
165.12720	10.8
171.11752	7.6
175.14836	11.9
176.61633	6.3
177.12717	6.1
185.13261	8.7
189.11240	9.0
259.20758	9.2
277.21680	90.1
281.81226	6.1
295.05969	9.8
295.17114	8.1
295.22626	62.8
296.22458	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	295.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32046	0.9
53.03939	2.2
55.05512	1.8
55.78418	0.8
56.96564	1.9
57.03433	1.0
58.06598	0.8
61.02911	1.3
67.05502	2.2
68.05032	0.7
69.03419	3.0
69.07071	2.0
70.02962	4.5
70.06602	2.7
71.04971	0.9
71.17897	1.8
72.08151	1.2
74.02442	1.6
79.05489	3.5
81.03403	2.5
81.07047	3.1
83.04950	1.4
83.08620	1.2
84.04512	1.6
84.08140	4.7
85.02898	1.6
86.09709	5.2
87.00819	1.0
88.03992	27.4
91.05489	4.2
92.05018	1.1
93.07044	2.2
94.06573	30.2
94.89185	0.8
95.04967	5.1
95.07364	1.0
95.08601	0.9
96.04494	7.2
96.08134	1.3
97.02889	1.9
98.06055	5.6
98.97576	2.3
99.00827	2.8
104.03478	9.3
104.04969	1.4
105.07009	1.9
106.06556	0.8
107.04966	3.5
107.08554	1.3
108.08122	1.8
109.02871	1.3
109.06514	2.1
110.06044	5.0
110.09690	1.3
111.04460	0.8
111.06817	1.2
112.07614	6.2
112.62101	0.9
116.98640	2.2
117.03402	0.9
118.06538	0.8
119.04938	1.4
120.03738	0.7
120.04462	5.1
120.08099	2.8
121.06470	1.2
122.06030	5.8
123.04435	2.7
123.06818	2.8
123.08144	0.8
124.07599	26.0
125.05959	1.0
126.09161	25.9
127.03912	0.9
130.04997	1.8
132.04443	3.5
134.06015	2.0
134.99664	2.0
135.04411	1.7
136.06578	1.4
136.07558	9.2
137.05988	1.9
138.09142	100.0
139.06313	1.0
140.07069	35.5
140.10631	0.9
145.02856	1.2
146.06012	63.1
147.04393	2.2
147.06322	2.0
147.08054	1.1
149.05972	2.0
150.05505	2.1
150.09189	0.9
151.03889	2.2
152.07065	23.1
156.02902	3.3
156.06548	0.8
157.06416	0.9
158.08142	10.2
158.09506	1.6
161.05931	1.8
163.03903	4.8
163.08662	1.4
164.04259	1.4
166.08549	1.0
170.08147	2.9
174.03984	8.6
174.05524	24.7
175.06039	0.8
175.07507	1.7
177.05461	1.1
186.09187	2.8
189.10400	1.4
192.06639	4.3
202.03522	8.3
203.11804	2.1
207.08194	0.9
214.12239	2.7
224.10609	1.0
230.10576	1.5
231.14963	2.5
235.07776	1.0
237.02701	1.2
241.13344	1.6
242.11716	4.4
259.14429	36.9
260.15201	0.9
277.08328	1.3
277.15469	6.7
279.03857	1.1
295.05634	1.3
295.08649	3.4
295.16565	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
52.92798	0.5
56.05041	2.8
56.96573	0.9
57.03421	0.6
59.09989	0.5
61.02919	0.6
69.03436	1.2
69.07083	0.8
70.02964	0.5
70.06599	1.5
70.41228	0.9
70.41629	1.3
70.57234	0.5
72.08169	0.6
79.05498	17.7
81.03422	0.8
81.07076	1.0
81.35986	0.5
83.06113	1.4
84.04507	71.7
84.08171	1.1
85.02901	4.7
85.04816	0.5
86.09721	0.8
88.03981	4.1
91.05484	1.5
94.06564	4.0
95.05000	1.1
97.02890	0.9
98.21464	0.7
98.97612	0.6
101.07151	1.3
102.05550	2.8
103.05482	2.0
104.03477	1.1
105.07044	2.5
106.06569	5.3
107.04956	100.0
107.08635	1.1
109.02802	0.6
115.05489	0.8
116.98648	1.0
117.07021	0.7
118.06635	0.5
119.04946	1.2
120.04487	1.5
121.02866	1.1
121.06502	0.8
123.04471	0.9
125.06020	0.8
127.03888	0.7
129.06636	1.9
130.05005	37.3
131.04927	13.9
137.05957	1.3
138.09158	0.6
145.02844	0.7
146.04961	0.9
146.06018	10.6
147.04433	2.7
147.06483	0.7
147.07664	2.0
148.03828	0.7
148.06046	0.6
148.07550	1.3
149.05984	34.9
150.07744	5.2
151.03951	1.0
154.08476	0.7
160.05128	0.7
161.05978	1.1
163.03891	1.9
166.08643	24.9
167.07014	1.0
173.05812	0.6
174.04010	1.4
174.05537	4.4
175.03979	0.6
175.07497	1.2
177.05508	1.2
181.08531	0.7
192.06532	0.8
202.03485	1.5
205.04782	0.7
212.73010	0.5
221.05968	1.4
231.06514	2.4
232.09662	4.5
234.93889	0.6
249.05496	0.9
249.12444	1.1
263.07135	0.8
277.11862	0.7
278.10275	6.1
295.05612	2.7
295.09430	0.8
295.12811	10.2
295.16431	1.6
302.23221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01298	0.3
51.53251	0.3
53.94287	0.3
55.01855	0.3
55.05505	0.5
56.05026	1.1
56.88694	0.3
56.96554	1.2
57.03438	0.4
57.04550	1.1
61.02930	0.4
63.88538	0.3
66.83572	0.3
67.05489	0.4
69.07053	0.5
70.06588	0.8
70.69239	0.7
72.08144	0.4
78.95651	0.3
79.05489	4.4
81.07045	0.4
83.06098	0.8
84.04504	23.7
84.08135	1.1
85.02892	1.6
86.09719	0.6
88.03968	1.2
91.05471	1.0
94.04050	3.0
94.06564	1.3
95.04990	0.6
97.02852	0.5
98.97582	0.5
102.05536	0.9
103.05473	1.2
104.03451	0.6
105.07026	0.6
106.06533	1.1
107.04955	26.1
112.05073	0.8
119.04992	0.4
120.04457	1.0
120.08100	14.0
121.02887	0.7
121.05012	0.4
123.04435	0.4
123.06671	1.8
130.05008	10.2
131.03441	0.3
131.04916	4.5
133.05072	0.7
135.04442	0.5
135.05421	0.5
136.07549	1.1
143.00160	0.4
145.06494	0.6
146.06013	3.1
147.04422	0.8
147.07651	0.5
148.03918	2.5
148.06186	0.5
149.05978	9.0
150.07748	100.0
151.08115	0.7
161.01241	1.1
161.05991	0.6
163.03894	1.5
165.06932	0.4
166.08638	10.7
167.07040	0.5
174.04013	0.6
174.05528	1.0
175.84560	0.4
186.09219	1.2
202.03372	0.6
203.06889	0.4
218.05577	0.6
221.06126	0.8
231.28125	0.4
232.09610	1.7
241.04144	0.3
246.05209	0.6
249.02936	0.6
249.05356	0.6
254.14954	0.4
267.03714	0.7
277.09457	1.6
277.11890	0.5
278.10254	2.3
295.05872	1.8
295.12302	2.7
295.16394	0.7
296.18698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05022	0.6
56.96550	0.3
57.03429	0.2
57.04565	0.9
62.48261	0.2
67.05476	0.2
69.03423	0.4
69.07055	0.3
70.06581	0.5
71.76640	0.2
72.08094	0.2
79.05490	1.6
81.07039	0.2
81.65942	0.2
82.04069	0.2
83.06110	0.3
84.04501	7.4
84.08169	0.2
85.02909	0.5
86.09679	0.4
88.03970	0.7
94.04057	2.6
94.04613	0.3
94.06543	0.8
95.04952	0.3
96.05608	0.5
97.02909	0.2
98.97548	0.2
99.98615	0.2
102.05509	0.2
103.05477	0.3
104.03487	0.3
105.06966	0.2
106.04025	0.3
106.06535	0.8
107.04949	9.2
108.04339	0.2
109.05100	0.2
109.32732	0.2
112.05064	0.7
119.03499	0.2
120.04508	0.2
120.08090	1.1
121.05090	0.3
123.04479	0.2
123.06686	1.8
130.05005	3.8
131.04886	1.4
133.05083	0.5
135.05412	0.4
136.07555	0.4
146.05998	2.2
147.04393	0.4
148.03935	0.5
148.06210	0.3
148.07578	0.2
149.05975	3.8
150.07739	100.0
151.03848	0.3
151.08211	0.9
161.01228	0.4
163.03897	0.8
165.05508	0.2
165.06935	0.2
166.08661	2.5
174.04045	0.2
174.05493	0.7
175.03912	0.2
175.07545	0.2
177.05450	0.3
177.09129	0.2
182.40137	0.2
202.03474	0.3
207.06470	0.2
208.60168	0.2
221.05978	0.8
221.89003	0.2
232.09683	0.4
249.03006	0.3
249.05504	0.8
267.03970	0.2
277.04797	0.2
278.10239	0.9
295.05771	1.1
295.11719	2.2
295.16406	0.4
296.18689	0.2
296.31412	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	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.61937	0.5
53.03946	1.9
55.01879	1.1
55.05513	19.3
56.96563	2.4
57.03434	1.7
57.06793	0.6
57.07077	9.7
59.04995	1.0
65.03939	1.3
66.04768	0.5
67.05505	36.0
69.03435	2.4
69.07070	34.1
71.04987	1.8
71.08628	3.8
71.61053	0.8
73.06528	0.6
79.05495	14.6
81.03416	1.6
81.07058	100.0
82.07408	0.9
83.04996	1.5
83.08623	19.3
85.02917	1.0
85.06546	7.7
85.10181	1.5
91.05479	5.6
93.07044	17.6
95.04939	1.8
95.08608	93.3
96.08913	0.9
97.02889	1.2
97.06544	2.2
97.10173	11.1
98.97574	2.1
99.08092	4.8
103.05470	3.5
105.07032	4.6
107.04948	1.3
107.08600	15.8
109.06509	2.3
109.10159	58.6
110.10465	0.7
111.04444	0.6
111.08094	2.2
111.11716	5.2
113.09631	1.3
116.98645	2.8
117.07046	0.8
119.08544	2.8
120.08064	1.0
121.02802	0.7
121.06503	0.9
121.10149	10.0
123.04434	0.5
123.08044	1.9
123.11713	26.0
125.09634	3.2
125.13269	1.5
127.11176	0.8
130.91228	0.5
131.04922	8.8
131.08572	1.7
133.06421	0.6
133.10115	2.0
134.99652	4.0
135.07977	0.6
135.11699	7.7
137.09637	0.7
137.13255	13.0
145.10103	2.0
147.04343	0.6
147.11682	1.6
148.70946	0.6
149.09662	1.0
149.13264	10.0
151.14833	9.1
153.00690	1.6
153.12785	0.8
155.14136	0.7
159.11794	0.7
161.09596	0.6
161.13264	0.8
163.11177	1.5
163.14835	4.8
165.16373	4.1
167.14365	1.3
173.13258	0.8
177.00629	0.6
177.16382	1.9
179.17909	1.7
181.12251	0.7
191.17915	1.2
193.19582	0.7
205.19508	1.5
205.54755	0.6
209.13222	0.7
219.13802	0.6
219.20975	1.9
223.20590	0.7
226.76138	0.5
233.06001	0.7
257.07935	1.4
270.12463	1.2
275.20239	3.3
275.22867	0.6
275.24356	0.7
275.27219	3.9
293.03091	1.0
293.08029	1.9
293.11029	0.7
293.17014	2.3
293.21204	2.6
293.24704	1.6
293.28345	17.3
293.31741	0.9
294.20618	0.9
294.24060	0.7
311.04416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03942	2.7
55.01868	3.9
55.05511	18.5
56.45821	0.7
56.96565	6.9
57.03432	2.4
57.07076	6.3
59.04997	0.8
61.02922	1.1
65.03917	1.7
67.05508	37.0
68.05820	1.0
68.43787	0.7
69.03430	2.2
69.07072	29.9
71.04988	3.1
71.08644	4.2
79.05499	21.9
81.03429	4.6
81.07060	100.0
82.07408	1.2
83.04995	3.6
83.08620	13.1
85.02919	1.6
85.06548	5.4
85.10148	0.8
91.05482	11.4
93.07045	19.9
95.04980	10.3
95.08610	73.0
97.02918	2.5
97.06531	7.2
97.10175	9.0
98.97598	2.4
99.04450	1.2
99.08098	5.7
103.05499	1.4
104.61604	0.9
105.07032	10.8
107.04970	3.0
107.08601	17.8
109.06528	12.8
109.10157	47.9
110.06795	0.8
110.10513	0.9
111.08088	2.6
111.11723	4.7
112.99201	0.7
113.09679	1.3
116.98638	2.8
117.02122	1.2
117.07024	2.7
119.08589	9.4
121.06536	2.3
121.10150	11.2
123.08089	3.4
123.11707	19.4
125.09652	3.3
125.13321	1.4
131.00208	2.1
131.04953	1.7
131.08580	3.2
133.10138	6.1
134.99673	2.9
135.08078	2.8
135.11699	6.6
137.09630	2.9
137.13252	6.6
139.07576	0.7
143.08582	1.6
143.44116	0.8
145.10158	3.6
146.99660	0.9
147.11668	4.6
149.01250	9.2
149.09619	5.5
149.13248	7.9
151.11163	10.6
151.12166	0.9
151.14809	4.1
155.10756	0.9
157.10191	2.0
158.99699	1.0
159.11722	3.0
161.01260	1.3
161.09662	1.1
161.13303	2.0
163.11174	3.9
163.14830	3.2
165.06850	1.1
165.09171	0.8
165.11366	0.7
165.12798	2.8
165.16460	2.1
167.02319	4.1
173.13338	1.8
175.11203	1.1
177.00784	1.6
177.12811	2.4
177.16406	2.1
179.10721	1.0
183.11752	1.2
187.11226	1.2
191.02269	0.9
191.18034	1.2
193.12306	1.2
195.13872	1.0
212.10556	4.9
215.57780	0.7
219.11984	0.8
220.41130	0.8
220.60779	1.0
221.11162	4.1
221.61537	1.4
229.19490	1.4
230.09969	1.6
232.62035	2.2
233.03413	0.8
237.08856	1.6
239.18028	1.9
244.09650	1.0
247.20575	1.0
252.09581	1.0
257.19049	3.8
275.20062	17.1
275.27472	2.6
276.20425	1.6
285.10260	1.0
292.62686	1.5
293.13321	12.3
293.17004	0.8
293.17819	1.5
293.21140	18.1
293.25098	1.2
293.28336	8.7
293.63425	3.8
294.21503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.10488	1.1
50.40580	1.1
53.03946	1.5
55.01862	3.1
55.05513	34.8
56.96564	9.7
57.03432	2.6
57.07079	22.1
60.82389	1.0
65.03941	2.2
67.05508	47.5
69.03428	2.7
69.07072	71.2
70.07391	1.3
70.94939	0.9
71.04982	4.4
71.08637	11.6
71.21250	2.6
77.03894	1.0
79.05495	25.2
81.03416	2.6
81.07059	100.0
82.07399	1.3
83.04988	2.4
83.08620	41.3
85.06550	17.2
85.10160	4.0
91.05479	11.9
93.07049	44.2
93.07636	2.1
95.04959	3.8
95.08610	88.6
97.02913	1.6
97.06535	5.9
97.10178	21.3
98.97578	5.3
99.08098	14.9
103.05450	1.7
105.07024	9.2
107.04969	3.8
107.08599	38.3
108.08915	1.0
109.06509	4.8
109.07162	1.2
109.10159	70.6
111.08084	10.7
111.11720	9.3
113.09641	4.5
116.98617	7.2
117.07038	2.1
119.08591	4.7
121.06533	1.3
121.10145	23.0
122.81441	1.0
123.08083	2.2
123.11713	32.9
125.09634	6.8
125.13243	3.2
127.11195	1.4
131.00182	4.2
131.04924	4.7
131.08571	3.6
133.10144	5.1
134.99658	5.6
135.11700	16.7
137.09564	1.6
137.13264	11.6
139.11177	4.5
139.14906	1.2
139.47644	1.0
145.10120	2.8
146.99606	1.4
147.03111	1.2
147.11740	2.2
149.01233	8.5
149.09563	2.4
149.13261	24.5
149.14389	1.9
151.14835	6.4
153.12727	2.0
155.14311	1.4
156.03632	2.8
158.99722	3.2
159.11777	1.7
161.01231	1.8
163.14838	10.5
165.09058	1.6
165.16389	4.1
167.02274	2.6
167.14311	2.4
177.00764	4.1
177.16415	3.5
179.17944	5.4
191.17981	1.8
193.19548	2.6
196.94632	1.1
205.19521	3.1
209.19083	1.7
212.10701	2.7
219.01711	1.5
219.21144	2.0
221.11064	1.3
229.23607	1.5
237.08948	3.2
237.22118	2.1
244.09566	1.3
247.24142	1.3
249.25804	4.8
250.09673	2.1
253.11087	2.6
271.12225	3.3
275.20007	6.0
275.27301	7.2
284.12759	7.3
284.62912	2.4
285.09998	1.2
293.05441	2.6
293.13425	4.1
293.21152	4.2
293.28336	50.8
293.63535	2.5
299.11658	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2473
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03945	1.5
55.05511	8.1
57.07064	2.6
65.03936	2.2
67.05503	94.5
69.07066	9.9
69.31865	1.1
70.00340	1.3
71.27379	1.5
71.27712	2.4
79.05493	14.7
81.07056	100.0
81.39043	1.3
83.08610	4.5
91.05474	6.5
93.07047	13.6
95.08607	77.4
97.06528	2.3
97.10185	4.0
105.07039	3.5
107.08592	7.7
109.10155	44.0
110.07138	1.7
111.08073	1.6
111.11724	1.5
117.06998	1.5
119.08602	3.4
121.10123	9.2
123.08074	1.2
123.11713	28.1
131.08514	6.1
133.10156	4.2
135.10812	1.1
135.11717	5.3
137.09612	1.9
137.13246	11.3
141.09058	1.5
145.10173	4.3
147.11711	3.0
149.09659	1.7
149.13293	4.3
151.14818	3.2
159.11620	2.2
161.13275	3.7
163.11269	2.1
163.14838	3.3
165.12801	1.2
173.13280	5.0
175.14772	2.1
177.12813	2.1
177.16385	1.6
179.14362	1.9
187.14839	2.8
191.14395	1.9
219.21182	1.3
223.17102	1.8
243.21083	6.0
261.22144	8.7
293.24756	25.8
294.93750	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2472
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03937	2.0
54.38822	0.8
55.01867	1.1
55.05506	10.5
57.07070	2.8
65.03931	2.9
66.41631	0.8
67.05501	89.1
69.07063	12.3
70.20959	4.6
79.05486	16.6
81.07052	100.0
83.04969	2.5
83.08619	8.0
85.06546	3.2
91.05473	10.8
93.07039	17.7
95.04967	4.7
95.08601	75.9
97.06522	4.0
97.10155	3.4
99.08092	1.1
105.07011	7.6
107.08588	12.2
109.06533	2.7
109.10152	30.9
111.08096	2.0
115.53249	0.8
117.07017	3.4
118.91908	0.8
119.08565	7.9
121.06477	1.4
121.10130	11.2
121.10921	1.2
123.08058	3.5
123.11698	15.1
125.09608	1.5
131.08559	8.1
133.10135	5.4
135.08052	2.2
135.11694	7.6
137.09608	2.9
137.13258	8.4
145.10130	7.7
147.11688	3.0
149.09601	7.2
149.13234	4.4
151.11172	2.6
151.14832	2.4
159.11668	5.1
161.13254	3.0
163.11137	6.6
163.14828	2.5
165.12785	1.7
165.16341	0.9
171.11684	1.0
173.13303	5.2
175.14818	1.1
177.12738	4.1
177.16411	1.3
179.14285	1.7
187.14821	2.0
191.14339	3.0
205.15872	1.1
239.17970	2.4
243.21019	4.1
247.20625	0.9
257.19022	3.7
261.22119	5.9
275.20029	14.1
293.21198	4.2
293.24774	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	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	4.1
55.01875	14.4
55.05515	31.1
55.18301	1.6
56.96586	2.5
57.03432	5.0
57.07072	5.3
59.04998	3.7
65.03954	3.3
67.05511	59.6
67.05881	2.9
69.03107	1.7
69.03420	9.1
69.07073	34.1
69.87017	9.6
70.06593	2.7
71.01389	1.7
71.05002	8.1
71.08634	2.0
73.21053	1.6
79.05496	45.2
81.03423	11.0
81.07062	100.0
82.07407	3.4
83.03967	1.4
83.05003	8.4
83.08623	20.7
84.08125	1.9
85.02892	3.3
85.06552	9.2
86.73361	1.7
87.04474	2.1
91.05489	30.8
93.06476	3.4
93.07047	43.5
95.04973	19.7
95.08611	61.8
96.08970	2.5
97.02889	2.5
97.06549	19.1
97.10168	11.1
98.97577	2.4
99.04455	2.7
99.08068	3.2
103.05478	5.7
105.07039	33.2
107.04967	14.9
107.08604	49.3
109.02890	2.0
109.06519	21.2
109.10168	37.1
111.08077	7.9
114.07359	1.6
115.05527	2.7
116.07060	3.1
117.07019	10.4
119.04882	2.6
119.08591	26.3
121.06493	9.0
121.10158	34.3
123.04477	2.6
123.08064	10.1
123.11715	15.5
125.05984	3.1
125.09624	14.1
129.07059	4.8
131.04929	19.6
131.08586	17.8
132.05154	1.5
133.06506	3.6
133.10139	27.7
135.08069	9.8
135.11678	19.3
137.06007	3.6
137.09631	11.9
137.13254	6.5
139.11188	3.7
142.03532	1.6
143.08499	3.8
145.06520	1.7
145.10136	20.3
147.04401	3.5
147.08014	2.8
147.11697	16.4
148.11942	1.9
149.09639	19.5
149.13310	9.2
150.13567	2.1
151.11198	8.0
153.09099	2.3
155.08556	3.6
157.10153	4.9
157.25354	1.8
159.08003	2.3
159.11700	14.0
161.05930	2.0
161.09576	3.1
161.13261	5.8
163.11223	11.2
163.14870	4.5
165.09111	4.2
165.12741	4.6
167.07222	1.7
167.08630	2.1
167.10580	2.3
169.10078	2.6
171.11745	3.9
173.09634	3.2
173.13300	6.8
175.11157	3.5
175.14771	3.1
177.09259	1.8
177.12776	4.7
179.10692	2.5
183.11736	2.9
185.13504	1.6
187.14867	4.4
189.11226	4.1
191.14307	3.1
194.07256	2.5
195.13785	2.3
197.13246	2.1
199.14790	1.9
201.16484	2.5
205.06514	1.7
214.55690	1.9
215.14250	2.3
215.17758	3.0
229.19502	5.4
239.17908	4.9
247.20567	7.0
250.06369	4.0
257.19064	11.3
257.21429	1.7
257.22690	1.6
261.05627	2.3
261.09186	2.3
265.08801	3.2
275.20090	92.3
293.08139	12.7
293.11105	2.8
293.17328	12.3
293.21121	46.6
293.24673	8.5
293.27869	2.9
294.08627	3.4
294.20895	1.7
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
53.03943	7.2
55.01868	12.0
55.05259	2.5
55.05506	28.9
57.03440	3.1
57.07068	4.9
64.28345	1.7
65.03960	2.5
67.05501	50.1
69.07066	28.4
69.23123	1.6
70.08662	9.0
70.80149	1.9
71.04988	4.1
71.08623	2.3
77.03915	1.9
79.05492	47.4
81.03422	7.1
81.07057	100.0
83.04976	6.8
83.08617	22.4
85.06535	6.7
91.05477	27.8
93.07038	39.7
95.04964	15.9
95.08604	54.9
97.02890	1.7
97.06537	14.0
97.10172	13.3
98.21532	2.4
98.97551	2.4
99.08105	3.7
105.07027	34.4
107.04953	9.9
107.08588	42.1
108.08945	2.0
109.06512	19.2
109.10159	30.5
111.08081	6.0
111.11680	3.3
116.98602	2.1
117.07001	12.9
119.08573	21.7
121.06503	7.4
121.10140	19.8
123.08043	9.8
123.11700	14.0
125.09653	9.2
125.10426	1.7
129.07042	1.9
131.04948	4.1
131.08571	15.7
133.06523	2.7
133.10121	22.8
134.99648	1.7
135.08061	7.9
135.11682	12.2
137.09593	7.0
137.13232	4.2
143.08614	2.3
145.06544	1.9
145.10126	15.7
147.11676	15.3
149.09627	16.8
149.13258	9.1
151.11185	10.0
151.14775	3.8
157.10159	5.0
158.94652	1.7
159.08344	1.8
159.11682	9.6
161.09628	2.5
161.13278	4.8
163.11156	11.3
163.14839	3.2
165.09123	6.1
165.12708	2.3
169.10167	3.4
171.11650	3.9
173.13281	5.5
175.11128	4.6
177.12706	6.0
187.11162	4.0
189.11198	5.0
189.12738	2.7
191.14194	2.1
219.13615	2.0
229.19536	5.9
239.17953	5.4
247.20667	7.2
257.19083	10.2
275.20053	90.6
276.20453	2.9
293.21170	29.9
293.28250	8.2
294.21414	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03932	4.7
55.01871	10.1
55.05513	26.7
56.96565	6.7
57.03421	7.0
57.07083	7.3
64.57832	3.2
67.05502	44.3
67.08909	3.2
68.94107	3.0
69.03417	4.1
69.07074	21.5
70.66597	6.1
71.04992	4.2
74.13282	3.4
79.05495	43.4
81.03407	9.9
81.07060	100.0
83.04996	9.1
83.08613	13.4
85.06534	3.7
91.05494	28.1
93.07047	41.4
95.04976	21.0
95.08611	35.4
97.06533	10.5
97.10146	3.8
98.21547	3.0
105.07050	29.6
107.04945	6.5
107.08563	17.8
109.06520	37.7
109.10156	17.6
111.04494	4.9
111.08072	4.6
117.06995	8.1
119.08583	24.5
120.02089	3.3
121.06496	7.7
121.10155	14.5
123.08049	11.3
123.11691	6.0
131.08595	16.5
133.10127	27.1
135.07985	4.8
135.11685	9.1
137.09592	10.6
145.06224	3.1
145.10141	8.9
147.11702	11.6
149.01202	5.1
149.09653	11.4
149.13278	6.0
151.11182	3.3
158.22643	3.4
159.11739	7.2
163.11194	9.6
165.09213	3.8
165.12770	4.9
167.02354	3.4
173.13254	6.3
176.15616	3.1
177.01511	3.3
177.12788	5.0
187.11188	4.4
188.59694	3.7
219.17380	18.4
229.19583	5.0
237.11235	7.3
239.17810	3.6
247.20584	9.4
257.18976	8.8
275.20084	69.8
293.21152	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03946	2.5
55.01874	6.4
55.05513	14.7
56.96559	2.5
57.03427	2.4
57.07062	3.6
67.05503	36.1
69.03417	2.1
69.06729	2.0
69.07069	27.6
70.01227	4.8
71.04987	4.2
71.08615	1.2
71.82831	1.1
79.05494	25.4
81.03420	2.2
81.07057	54.8
83.04980	8.3
83.08618	8.1
85.06520	2.2
91.04963	2.0
91.05480	23.6
93.07039	29.6
95.04967	10.8
95.08050	1.7
95.08611	24.8
97.06533	5.7
97.10184	2.8
98.97578	1.8
103.05411	1.8
105.07032	29.3
107.04958	8.9
107.08597	18.7
109.06509	19.4
109.10149	14.0
111.08073	3.5
114.23402	1.1
115.05455	1.2
116.98598	1.2
117.07013	7.2
119.08587	20.0
121.06502	10.8
121.10131	9.2
123.08041	5.6
123.11701	4.7
125.09599	2.7
129.06990	2.8
131.08562	16.7
133.06477	3.1
133.10136	21.9
134.99651	1.4
135.08061	4.9
135.11714	6.6
137.09608	3.4
137.13286	1.7
139.11188	1.2
143.08537	2.2
145.06483	1.4
145.10110	12.7
147.08049	3.0
147.11684	13.4
149.09644	5.8
149.13237	4.9
151.11162	7.9
155.08516	1.9
157.10146	4.7
159.08072	2.1
159.11665	7.4
161.09595	2.5
161.13225	3.4
163.11209	5.7
163.14909	1.3
165.12749	2.2
169.10117	1.6
171.11684	2.6
173.09618	3.2
173.13327	5.0
175.11168	3.7
177.12743	3.3
177.16479	1.4
183.11699	2.6
185.13248	1.2
187.11237	1.8
187.14822	2.3
191.14305	2.6
197.13182	1.1
201.12749	3.3
207.13791	2.0
215.17815	1.2
219.13817	5.2
219.17331	1.6
229.19560	3.2
230.89684	1.2
231.17580	1.1
239.17891	2.6
247.20544	3.1
257.18982	14.0
275.20056	100.0
276.20425	2.7
293.21121	27.6
294.24261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.56696	1.6
52.24136	1.7
53.03937	2.9
55.01871	5.1
55.05505	14.4
56.67589	2.1
57.07063	2.6
65.03953	2.0
65.61149	1.9
65.67131	1.7
67.05508	100.0
68.06346	1.9
69.07071	11.6
71.04990	2.1
79.05497	32.3
81.03414	2.4
81.07059	97.3
83.04975	3.6
83.08616	13.0
85.06552	3.2
85.86477	1.8
91.05483	20.6
93.07041	27.7
93.75042	1.6
95.04971	10.3
95.08607	72.8
97.06526	5.6
97.10162	4.9
98.21515	4.8
99.08110	2.0
105.07043	13.9
107.04958	3.2
107.08588	18.7
109.06525	4.2
109.10165	30.9
111.08070	3.6
117.07013	7.5
119.08573	17.7
121.06528	2.5
121.10138	13.7
123.08064	4.1
123.11721	16.7
125.09691	4.2
131.08556	10.7
133.10095	8.9
135.08026	4.4
135.11661	9.1
137.09622	4.2
137.13275	7.1
139.11072	2.3
145.10147	11.5
146.71645	1.9
147.11700	4.9
149.09621	15.0
149.13220	5.3
151.11203	4.2
159.11700	9.6
161.13257	4.1
162.37189	2.0
163.11185	13.2
163.14941	2.1
165.12718	2.7
173.13303	6.6
177.12793	3.5
179.14293	2.3
187.14819	3.4
191.14359	3.7
195.13817	1.8
197.13318	2.3
229.19482	4.2
239.17949	5.1
243.21094	5.6
257.19009	11.6
261.22141	4.8
275.20047	34.9
293.21100	9.5
293.24759	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
52.50912	6.3
53.03927	27.0
55.01862	25.9
55.05516	31.2
67.05506	78.0
69.07055	57.7
70.45284	23.5
70.66743	5.8
71.46317	6.0
79.05486	65.6
81.03426	61.0
81.07056	98.3
83.04962	14.9
83.08637	15.0
91.05484	64.8
93.07048	53.4
95.01347	11.0
95.04979	36.2
95.08604	58.5
97.06525	39.2
99.62333	7.6
105.07021	84.4
107.04958	29.5
107.08590	27.9
109.06503	14.7
109.10146	11.2
117.07012	18.9
119.08569	46.7
121.06498	10.3
121.10141	18.2
123.08057	16.1
131.08560	18.5
133.10135	45.3
135.08054	8.4
135.11707	12.0
139.71713	6.2
143.08574	10.2
145.06442	9.7
145.10129	28.5
147.11678	24.2
149.09627	13.6
149.13263	8.9
151.11234	8.9
159.11658	15.9
163.11220	12.0
165.09109	7.5
169.10002	9.9
173.27919	6.2
177.12709	7.5
179.14301	27.9
187.11205	10.1
234.20094	7.4
237.11374	7.8
257.19046	12.7
275.20093	100.0
279.72980	6.7
293.21204	40.2
298.20981	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	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.12067	2.0
53.03939	3.9
55.01870	11.6
55.05265	4.4
55.05510	59.3
57.03427	4.9
57.07063	4.2
57.24260	2.2
67.05168	3.5
67.05502	42.9
68.68488	2.7
69.03437	4.0
69.07059	15.4
69.45462	9.0
69.45905	11.9
71.04984	4.0
79.05490	75.1
81.03410	4.6
81.07060	34.2
83.04976	10.1
83.08624	19.1
91.05482	31.6
93.07042	33.2
95.04966	9.0
95.08610	15.2
97.06512	9.9
97.10167	30.8
105.07032	27.9
107.04955	36.8
107.08595	54.3
109.06487	5.0
109.10162	23.4
111.08072	3.3
117.07017	9.1
119.08592	21.0
121.06500	4.4
121.10154	21.0
123.08034	3.7
123.11675	6.6
125.09627	29.0
129.06955	2.9
131.08574	13.9
133.10135	23.0
135.08052	11.5
135.11665	5.9
145.10086	8.3
147.11647	16.8
149.09615	78.2
149.13213	2.8
149.67932	2.4
153.09120	5.8
155.08412	2.7
159.11700	8.1
161.13252	7.2
163.11237	2.8
163.14783	3.6
169.12192	3.8
171.11757	2.5
173.11688	6.6
173.13182	5.5
179.14223	2.6
183.93829	2.6
187.13364	3.4
189.11224	26.5
191.14238	2.9
209.15289	3.6
215.17973	3.5
229.19460	8.3
237.11223	3.8
239.17885	4.1
247.20616	4.2
257.19009	19.9
275.20053	100.0
276.20441	3.2
293.21185	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.44776	0.8
53.03941	1.9
54.13604	0.8
55.01875	4.1
55.05513	11.6
57.03417	1.6
57.07067	1.7
65.03921	1.2
67.05503	26.0
69.03431	1.9
69.06760	0.5
69.07065	19.5
69.73189	5.0
71.04987	2.7
79.05490	17.9
81.07051	27.9
83.04984	7.2
83.08613	5.5
85.06532	1.9
85.81080	0.8
91.04908	1.1
91.05479	19.0
93.07040	21.6
95.04969	9.1
95.08610	17.4
97.06522	3.6
97.10197	1.8
105.07024	23.8
107.04959	5.1
107.08595	11.3
109.06512	11.0
109.10155	8.6
111.08081	1.1
117.07015	5.8
119.08564	10.6
121.06512	9.9
121.10129	7.5
123.08081	5.0
123.11687	2.4
123.62811	1.0
129.06998	2.1
131.08560	14.3
133.06505	2.8
133.10123	17.6
135.08040	4.5
135.11668	4.5
137.09615	2.2
139.07492	1.1
143.08591	2.7
145.06525	1.5
145.10120	10.4
147.08051	2.5
147.11697	12.5
149.09610	4.5
149.13232	2.9
151.11176	6.6
155.08479	1.9
157.10124	2.9
159.08087	1.3
159.11687	7.7
161.09627	3.7
161.13240	1.1
163.11186	4.6
163.14757	1.2
165.12833	1.0
169.10095	1.8
171.11687	1.7
173.09621	2.2
173.13304	4.3
175.11227	2.7
175.14857	1.2
176.42998	1.0
177.12785	2.4
183.11691	2.6
187.11214	1.4
189.12822	1.8
191.14313	2.4
199.14795	1.0
201.12830	2.0
207.13829	3.7
213.16269	1.1
215.17947	1.3
219.13853	4.6
229.19527	2.9
231.17563	1.4
239.17979	2.3
247.20587	3.3
257.19040	15.1
275.20056	100.0
276.20398	2.1
293.21115	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03951	6.7
54.08709	2.7
55.01874	10.4
55.05507	23.7
56.96555	3.3
57.03420	4.1
57.07070	5.8
65.03947	2.5
67.05504	55.7
69.03416	3.5
69.07063	23.6
69.08511	2.5
70.86645	8.0
71.04997	5.8
79.05496	45.1
81.03437	3.5
81.07057	100.0
83.04961	7.4
83.08622	12.5
85.06552	4.5
91.05486	35.6
93.07035	41.8
95.04971	19.4
95.08609	35.6
97.06544	9.7
97.10207	3.0
98.97633	2.9
105.07034	34.5
107.04939	11.9
107.08595	30.3
109.06531	25.1
109.10155	21.7
111.08093	6.7
117.07021	9.3
119.08580	35.4
121.06484	4.1
121.10153	16.8
123.08089	12.3
123.11684	6.7
125.09637	6.2
131.08554	16.4
133.10144	32.0
135.08086	8.2
135.11713	7.3
137.09625	12.9
139.11169	3.1
145.10135	12.6
147.11691	17.1
149.09622	13.3
149.13226	3.8
150.87268	2.9
151.11201	11.4
151.54913	2.7
157.10194	5.2
159.11726	11.2
161.13315	4.8
163.11205	8.0
171.11664	3.7
173.13222	4.8
183.11777	2.9
197.07393	3.6
198.39496	2.9
213.42616	2.6
219.77747	2.9
229.19525	2.6
239.17880	4.4
247.20581	8.1
257.19003	8.5
275.20068	63.2
293.21069	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	4.9
55.01862	8.9
55.05515	36.0
57.07073	4.5
67.05505	35.9
69.07079	22.2
71.05000	3.4
71.12990	6.3
74.54497	3.0
79.05495	41.9
81.03410	7.3
81.07056	100.0
83.04985	8.5
83.08615	18.6
91.05485	27.3
93.07051	26.6
95.04958	17.3
95.08604	21.3
97.06530	9.2
97.10171	15.0
105.07031	25.6
107.04947	10.9
107.08594	18.3
109.06514	37.8
109.10173	9.8
111.08060	4.8
117.07021	6.2
119.08581	20.1
121.06525	4.6
121.10139	15.2
123.08053	9.4
123.11674	4.1
125.09611	13.7
131.08556	10.9
133.10133	16.6
135.08054	5.0
135.11684	6.9
137.09618	7.0
141.67413	2.9
143.08620	3.4
145.10139	13.4
147.11697	17.0
149.09619	9.1
149.13261	8.2
151.11115	3.2
151.36591	2.8
157.10071	4.1
159.11774	5.2
161.13225	3.2
163.11168	9.5
163.14754	3.1
165.12769	4.0
166.89857	3.2
171.11652	4.1
173.13243	5.4
183.11646	4.1
187.11224	3.2
189.11240	14.0
193.12285	4.7
208.74469	2.7
221.73866	2.9
239.17854	3.7
247.20497	5.5
257.19064	9.6
275.20087	60.8
276.79736	3.2
293.21042	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	4.4
55.01870	22.2
55.05269	2.0
55.05511	32.0
59.04996	2.0
63.48854	1.7
65.03906	3.3
65.18972	1.8
65.40057	1.7
67.05500	42.2
69.07060	18.5
71.01276	1.9
71.04990	2.8
72.26935	2.0
79.05490	52.0
81.03409	6.8
81.07047	35.1
83.04964	5.7
83.08626	13.9
84.50983	1.8
85.06544	3.2
90.58825	1.8
91.05468	27.9
91.97797	2.3
93.07040	30.6
95.04970	12.0
95.08591	20.5
97.06533	26.2
97.10159	13.7
105.07025	33.9
107.04935	10.8
107.08588	75.0
109.06492	7.4
109.10164	11.8
117.07008	8.8
119.08582	21.7
121.06480	3.0
121.10111	12.1
123.08065	4.1
123.11715	3.0
125.09626	17.2
129.06989	4.0
131.08569	13.0
133.10109	21.2
135.08049	5.7
135.11684	7.2
137.05975	19.1
137.09570	3.9
145.06361	2.0
145.10124	14.5
147.11668	12.0
149.09607	18.3
149.13271	2.8
151.11180	9.3
155.10793	2.0
157.10144	3.0
159.11674	12.7
161.13264	5.2
163.11140	6.5
165.09123	6.5
171.11638	2.3
173.11690	2.7
173.13219	4.3
177.12727	4.2
183.11630	2.1
187.11121	3.6
187.14819	2.0
189.11198	11.9
229.19463	4.8
239.17978	4.0
247.20557	8.8
257.18927	14.9
275.20050	100.0
276.20355	2.6
293.21130	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
55.01868	11.1
55.05515	27.9
57.03439	27.0
61.92133	2.7
63.64862	2.6
67.05505	36.3
69.07061	16.9
69.62843	16.0
69.63249	4.5
71.04990	3.5
79.05501	47.9
81.07069	42.4
83.08627	7.8
85.06548	5.9
91.05481	51.9
93.07047	61.7
95.04979	13.1
95.08609	27.3
97.06525	13.6
97.10149	4.9
105.07034	52.8
105.74239	3.4
107.04989	5.9
107.08599	52.2
109.06529	19.6
109.10159	13.5
111.08073	4.9
117.07034	16.5
119.08581	45.5
120.06593	2.9
121.06550	3.6
121.10133	17.7
123.08099	8.0
123.11671	6.1
125.09650	4.4
129.06999	7.4
131.08546	23.8
133.10143	26.6
135.08057	5.8
135.11714	8.0
137.09521	3.0
143.08556	9.6
145.10152	24.6
147.11665	22.5
149.09602	14.8
149.13148	4.4
151.11121	5.6
157.10135	10.1
159.11684	23.1
161.13248	11.8
163.11215	6.1
163.14949	3.0
171.11746	6.3
173.13275	10.1
177.05486	6.9
178.06287	3.4
183.11746	5.7
185.13268	22.8
201.16386	10.7
203.14297	16.1
219.17442	61.3
221.15424	22.7
229.19478	4.5
233.11732	4.9
239.17958	6.5
243.11156	3.2
257.19089	19.8
259.81119	3.3
275.20041	100.0
293.21173	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	17.9
65.85284	1.6
71.12437	3.0
71.12776	1.9
84.96031	8.8
97.96832	1.8
98.97581	27.0
98.98212	2.8
112.89600	15.5
115.97845	3.3
116.98618	22.3
124.99032	1.7
128.98573	2.3
131.00162	4.5
132.02141	1.6
134.99655	13.6
143.00165	7.8
146.99594	1.8
149.01205	3.8
153.00702	3.0
158.99641	2.6
161.01245	10.6
161.02925	5.4
173.01189	5.3
173.02762	2.7
175.02759	2.8
176.01102	4.0
177.00676	3.2
191.02255	7.2
219.01762	1.8
233.03391	3.5
237.02812	3.2
251.04393	11.0
269.05417	30.8
287.06519	9.7
293.06244	100.0
311.06488	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	3.7
55.01870	8.8
55.05263	2.0
55.05511	28.4
56.96563	1.5
57.03436	2.0
57.07059	1.5
65.03924	1.7
67.05505	20.9
69.03418	3.1
69.07071	11.3
71.04981	1.3
71.12682	2.6
79.05495	45.3
81.03425	2.4
81.07053	21.0
83.04961	5.1
83.08613	15.0
85.06544	1.7
89.03605	1.3
91.05486	27.6
93.07038	20.2
93.53529	1.3
95.04947	4.5
95.08608	14.7
97.06540	7.7
97.10167	20.1
105.07030	31.7
107.04963	7.0
107.08591	100.0
108.08899	2.2
109.06522	8.1
109.10175	6.3
111.08058	3.4
117.07011	5.1
119.08566	13.5
121.10136	5.9
123.08091	2.8
123.11662	3.5
125.09626	18.5
129.07010	1.7
131.08562	10.2
133.10124	17.4
135.08049	5.0
135.11661	4.4
145.10123	12.1
147.11687	10.6
149.01248	1.7
149.08568	1.5
149.09634	13.1
151.07399	1.3
151.11182	1.8
153.09167	1.8
157.10153	2.4
159.11656	7.8
161.13332	1.9
163.11209	3.0
165.09056	1.6
169.10170	1.9
171.11627	2.1
173.13237	3.8
179.14336	1.4
181.12184	2.5
183.11726	1.7
189.11209	17.1
229.19458	1.8
239.17990	4.6
257.18936	7.7
275.20050	78.4
276.20438	3.9
293.21130	11.9
293.27771	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	293.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	95.3
57.03426	5.7
61.02926	7.8
66.58253	2.8
69.03429	11.1
70.06590	3.9
70.98116	4.5
71.95261	4.3
73.02912	6.7
74.50016	3.0
74.97602	4.1
81.03412	4.2
84.04501	4.4
84.08188	5.9
84.96027	33.6
85.02906	17.0
97.02925	9.6
97.96807	6.5
98.97591	100.0
99.04463	3.0
101.00839	3.1
102.97076	6.9
106.13927	2.6
109.02895	5.2
110.97562	28.9
112.99083	3.5
115.97836	3.7
116.98626	98.7
118.99126	3.0
119.01865	5.8
120.98096	2.9
127.03912	8.6
128.98616	56.7
131.00169	11.1
133.98869	3.3
134.99654	55.2
135.04440	5.7
136.07599	3.5
140.98640	19.5
141.99385	4.5
143.00186	31.2
145.01779	3.1
145.02852	3.6
146.99649	59.1
149.01187	19.0
152.98643	4.1
153.00737	10.4
155.00258	3.8
157.01721	5.0
157.03499	2.8
158.99667	33.3
160.00459	8.1
161.01228	41.3
161.02711	3.6
162.99161	5.3
163.02722	4.5
163.03934	17.7
165.00755	9.6
167.02216	3.7
170.99605	23.6
173.01250	13.8
173.02737	3.3
175.02730	8.6
177.00716	28.7
179.02286	6.2
182.99675	6.2
189.00742	33.4
191.02327	18.5
191.03888	4.7
193.00189	3.3
195.01727	5.4
201.00732	51.7
207.01790	4.0
209.03375	3.2
213.03358	8.3
213.54228	2.9
216.63541	2.6
219.01776	39.9
233.03366	8.3
237.02834	53.8
251.04402	60.6
253.44127	3.0
255.03836	6.9
261.02731	9.6
269.05472	90.3
279.03894	8.3
287.06601	25.1
292.07123	3.3
293.05478	81.3
293.11050	3.6
311.06494	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	292.9856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59823	2.4
55.67850	2.4
56.96297	3.1
56.96568	42.4
60.19622	2.5
61.02096	2.9
67.41397	2.5
69.96320	10.7
69.96739	5.9
70.60394	2.5
74.09268	3.1
80.42992	2.3
84.96033	3.9
94.80729	2.8
97.07704	2.4
98.97586	78.4
116.98623	100.0
119.01948	10.1
134.99664	82.8
137.02968	7.3
143.00214	7.2
146.99728	3.6
149.01250	4.7
149.15495	2.6
153.00722	18.4
157.01743	3.1
158.01219	3.7
161.01265	7.9
177.00940	37.7
186.43423	2.7
190.95404	4.8
192.98732	3.5
203.02550	12.7
216.98773	3.6
219.01973	15.9
220.02254	3.3
221.01920	4.4
229.00525	4.6
230.93188	5.0
234.99828	5.5
237.02902	3.5
247.01508	89.3
247.04013	5.1
250.97507	7.4
251.04395	10.3
256.96548	13.6
261.03073	13.4
262.03232	5.2
263.02899	4.0
267.07935	2.9
269.05374	15.4
270.02979	6.0
274.97519	62.8
277.01031	10.1
278.01105	4.9
288.04144	4.1
288.92184	11.2
290.95398	3.4
292.98550	59.4
293.05582	7.7
301.01187	4.1
302.00723	3.1
306.93240	7.2
311.06454	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03960	1.5
55.01868	2.4
55.05264	1.5
55.05511	22.3
57.03430	1.2
57.07072	7.3
61.85287	1.0
65.03920	3.3
67.05504	40.3
69.03413	4.2
69.07068	39.0
70.04397	5.3
71.08626	3.0
72.93091	1.0
79.05491	18.9
81.03415	2.6
81.07059	100.0
83.04958	1.2
83.08613	16.7
84.04500	2.5
84.08125	3.7
85.02922	1.2
85.06544	19.5
88.02280	1.3
91.05483	17.2
93.07044	48.7
93.07633	2.5
95.04948	3.7
95.08607	89.0
97.02869	2.4
97.06503	2.6
97.10163	11.3
99.08093	12.2
100.11250	1.4
103.05434	1.2
105.07029	18.7
107.08593	57.9
108.08895	1.5
109.06507	3.7
109.10157	51.8
111.04446	1.5
111.08081	5.1
111.11691	3.7
113.09637	3.8
115.05447	2.4
117.07033	1.5
118.06525	2.2
119.04977	2.5
119.08589	15.2
121.10148	36.0
123.04401	2.4
123.11701	27.5
125.09638	3.7
127.03899	1.7
127.11189	1.6
128.06197	1.6
129.07036	5.6
131.08525	2.2
133.06490	2.1
133.10129	10.1
135.11697	33.4
137.13275	9.2
139.03876	4.7
139.11124	2.1
141.06908	2.7
141.12694	2.2
145.10172	1.1
147.04433	7.6
147.11700	10.1
149.13258	58.4
150.13626	1.6
151.03891	1.7
151.11208	2.0
151.14816	3.2
153.12741	1.2
157.06473	5.0
157.10008	1.3
161.05945	1.1
161.13277	8.6
162.09132	3.4
163.14818	33.4
167.14343	1.9
168.34488	1.2
169.06448	2.2
174.06715	1.2
175.14836	4.1
177.16385	13.5
181.15846	2.2
185.05965	2.3
187.07582	1.6
189.09253	2.4
189.16420	4.0
191.08554	2.8
191.17963	7.1
193.15790	1.7
199.07625	2.6
202.07756	11.2
203.08559	13.9
203.17937	4.3
204.09079	1.7
205.06505	1.6
209.19022	2.7
213.05450	1.7
217.08606	4.3
217.19553	5.3
219.08150	5.9
220.08839	5.1
221.19037	1.8
230.15359	2.8
231.08109	17.4
231.21056	1.7
232.08673	5.1
232.12625	1.1
235.20537	5.8
238.98100	1.2
245.07993	12.1
247.07562	5.1
247.24252	1.5
248.08237	9.9
249.09050	2.0
258.06766	1.8
259.07568	16.2
260.08359	14.4
261.08670	2.1
263.10651	5.0
273.07501	1.6
273.25778	9.2
275.07004	1.8
276.07834	9.0
277.08469	4.8
291.10297	45.9
291.16782	1.4
291.26816	63.5
292.10751	9.4
292.19061	15.2
292.27100	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	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03925	4.8
53.54086	1.0
55.01866	1.2
55.05269	1.2
55.05513	20.9
55.58109	1.0
57.07054	2.1
59.04988	2.1
65.03928	2.3
67.05504	41.7
69.03430	1.0
69.07069	17.6
70.73698	3.0
71.04985	1.3
72.68034	1.1
77.03940	1.2
79.05489	64.4
81.07053	54.0
83.04954	2.0
83.08614	8.3
85.06536	3.6
91.05472	27.0
93.07041	100.0
95.04972	9.1
95.08607	40.5
97.06516	3.6
97.10162	6.3
105.04494	1.5
105.07033	18.0
107.08592	64.3
109.06492	5.8
109.10143	16.1
111.08108	1.8
117.07019	4.4
119.08575	16.6
121.10139	55.0
122.10487	1.4
123.08060	3.1
123.11691	4.2
125.09564	1.7
127.10093	1.0
129.06989	2.6
131.08578	7.5
133.10129	15.3
135.08006	2.9
135.11690	56.2
137.09581	1.2
139.11143	1.0
143.08553	1.8
145.10106	4.3
147.11676	12.9
149.09608	3.3
149.13257	39.2
156.89961	1.2
157.10091	2.0
159.11707	5.9
161.13295	10.4
163.11156	4.0
163.14832	12.7
165.12778	2.1
171.11653	3.9
173.13271	2.6
175.11176	1.7
175.14888	6.0
177.12740	3.2
177.16435	1.3
181.11990	1.2
185.13206	3.2
189.12775	3.0
199.14879	1.7
203.14273	2.2
207.13863	2.2
209.15459	3.7
213.16293	2.2
217.19464	2.6
221.15314	2.4
231.21072	1.5
235.16936	4.7
241.19424	6.0
249.18494	5.1
259.20496	10.1
291.19766	6.6
291.23160	83.6
292.23502	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2682
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03930	3.3
55.01862	4.1
55.05270	1.4
55.05512	22.4
56.96570	6.8
57.03428	3.3
57.07074	11.7
59.04981	2.2
65.03925	1.5
67.05507	37.7
69.03423	3.5
69.07066	35.6
69.87633	1.6
69.88044	4.9
71.04976	3.9
71.08620	5.7
79.05494	33.7
81.03419	5.1
81.07058	100.0
81.41628	0.9
82.07361	1.4
83.04966	4.6
83.08619	19.8
85.02896	1.1
85.06549	9.4
85.10176	2.2
91.05479	26.0
93.07044	56.6
95.04964	9.9
95.08607	70.0
96.08884	1.1
97.06535	4.0
97.10172	11.2
98.21544	1.2
98.97594	1.6
99.04440	1.6
99.08089	4.4
105.07031	26.6
107.04947	3.9
107.08597	53.9
109.06522	7.9
109.10155	37.8
111.08073	7.2
111.11702	4.2
115.05435	1.6
117.06977	5.9
119.04957	1.9
119.08584	23.9
121.06488	2.8
121.10146	43.4
123.04418	8.3
123.08106	7.1
123.11703	19.0
125.09630	2.8
125.13180	1.0
127.03916	1.0
127.11189	1.0
128.06226	1.3
129.07021	3.2
131.00105	1.0
131.08591	8.3
133.06502	2.1
133.10126	16.3
134.99660	1.2
135.08093	6.1
135.11691	27.5
135.12712	2.1
137.09657	1.9
137.13245	7.0
139.03883	10.1
139.11206	1.4
143.08560	4.2
145.10130	7.8
146.99724	1.2
147.04375	4.4
147.08029	3.3
147.11693	13.9
149.01250	2.1
149.09616	3.5
149.13260	43.4
150.13495	1.2
151.07552	11.5
151.11209	1.5
151.14833	2.4
157.10147	3.6
159.11725	2.4
161.05966	1.3
161.09636	3.2
161.13243	10.1
163.11137	2.5
163.14825	21.0
165.05530	1.7
165.12761	3.7
165.16298	1.2
171.06706	1.8
171.11670	2.1
173.13234	2.0
175.11125	2.9
175.14781	4.6
177.12665	1.2
177.16350	7.2
179.10565	1.0
179.14281	1.6
189.12752	3.9
189.16380	3.2
191.17989	4.1
193.12386	1.3
197.11664	2.0
197.13293	1.4
202.46573	1.0
203.10150	1.3
203.17984	3.3
207.13785	7.7
211.13223	1.5
217.19530	3.2
221.19017	1.9
233.15388	3.0
235.20570	1.8
242.90421	1.0
245.18987	1.2
255.09155	1.3
255.17461	2.3
267.08951	5.1
267.12555	2.8
269.10510	1.2
273.18518	8.9
273.25751	14.8
282.84616	1.0
285.10046	10.9
291.12158	1.0
291.16293	0.7
291.19583	24.1
291.26846	48.6
292.19852	1.9
292.27179	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03947	3.9
55.01851	1.0
55.05266	1.4
55.05508	19.8
57.07079	4.8
59.04980	1.0
65.03925	2.3
65.95477	0.8
67.05501	37.9
69.03399	0.8
69.06720	1.4
69.07065	17.6
69.85509	2.7
69.85940	2.8
71.04982	1.5
73.06551	1.1
78.04649	0.7
79.05489	69.5
80.05827	0.9
81.07052	51.2
83.04981	1.6
83.08610	9.0
85.06516	3.1
90.51569	0.8
91.05474	28.1
93.07037	100.0
95.04962	8.1
95.08602	34.6
97.06488	2.2
97.10178	5.8
99.08062	2.0
105.04500	1.0
105.06379	1.3
105.07032	17.6
107.08593	56.0
109.06505	2.7
109.10155	16.7
111.08091	1.3
113.09603	1.1
117.07003	4.5
119.04890	1.5
119.08579	15.1
121.06492	0.9
121.10137	45.2
123.08070	2.6
123.11663	4.1
125.09637	2.6
127.07541	1.0
129.06996	2.7
131.08563	7.6
133.10121	15.6
134.10428	1.3
135.08052	1.8
135.11684	53.7
136.12018	0.8
137.09584	1.9
139.03874	1.7
139.11201	1.2
143.08536	2.7
145.10129	5.8
147.04414	4.4
147.08020	2.0
147.11661	11.4
149.09552	2.9
149.13248	34.3
151.11145	2.1
157.10133	2.0
159.11691	5.3
161.13257	7.0
163.11122	4.0
163.14796	9.7
165.12749	1.6
171.11636	2.8
173.13260	2.2
175.11230	1.6
175.14845	5.8
177.12711	3.1
177.16365	1.5
179.06940	1.7
181.12170	1.5
185.13223	4.3
189.12752	2.6
195.13721	1.3
199.14745	2.4
203.10609	2.8
203.14273	1.5
209.15382	2.8
213.16327	1.5
217.15816	0.9
217.19508	2.5
221.15340	1.9
231.21037	1.2
235.13339	1.6
235.16905	2.2
241.19507	5.2
249.18520	3.2
259.16885	1.3
259.20517	9.0
273.18411	1.5
291.19559	7.1
291.23123	56.2
292.23471	1.3
294.09341	0.8
297.30554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03938	1.7
54.14819	0.7
55.01854	2.3
55.05509	11.7
56.96566	2.7
57.03421	2.5
57.07076	4.4
59.04995	2.4
62.86809	0.7
67.05506	8.6
69.03421	3.0
69.07074	5.6
71.04963	3.8
71.34627	1.6
71.34973	1.2
79.05489	11.5
79.41817	0.7
81.03406	0.9
81.07056	17.0
83.04982	4.0
83.08621	11.6
85.02914	1.5
85.06535	2.3
90.99142	0.9
91.05480	9.8
93.07043	16.1
95.04966	8.8
95.08047	1.5
95.08609	20.8
97.06526	6.2
97.10174	1.4
105.04515	0.9
105.07034	14.7
105.07727	0.5
107.04947	14.1
107.08588	13.1
108.05698	1.8
109.06516	10.1
109.10158	4.8
111.04449	1.4
111.08077	40.9
112.35611	0.7
113.09643	2.7
115.05460	1.2
116.98610	0.8
117.07013	3.1
119.08588	13.5
121.06493	3.9
121.10137	7.8
121.57556	0.8
122.07258	1.5
123.04440	5.6
123.08065	37.9
123.11700	2.3
125.09625	3.5
129.06998	3.0
131.08562	7.8
133.06480	4.1
133.10120	10.4
134.99658	0.7
135.08057	9.4
135.11688	5.0
137.09625	2.8
139.03908	7.8
139.07506	0.9
139.11130	1.1
141.05478	1.3
141.07039	0.9
142.07800	1.3
143.08554	2.8
145.06476	0.8
145.10120	6.8
147.04404	2.9
147.08064	5.1
147.11696	6.2
149.09637	8.0
149.13258	2.0
151.07541	100.0
153.09058	1.6
155.08673	0.9
155.10664	2.6
156.09328	1.2
157.10117	5.7
158.10895	1.3
159.08063	2.2
159.11707	2.6
160.08733	0.8
161.09651	4.5
161.13281	2.0
163.11177	4.2
165.05510	1.4
165.09081	1.7
169.06374	0.8
169.10114	1.8
169.12276	1.3
171.11690	4.3
173.09662	2.3
173.13268	7.8
174.10417	1.6
175.11121	4.4
177.09125	2.9
179.10603	4.3
181.12207	2.5
182.10919	1.0
185.13292	0.9
189.12740	25.7
191.10698	1.1
191.14299	14.3
192.11449	3.9
197.11714	13.7
197.13287	1.9
205.12265	1.3
207.13800	66.4
208.14114	1.1
211.13188	1.1
213.16391	2.2
215.14378	4.1
217.12195	3.7
217.15942	1.0
227.17859	0.8
231.09026	2.0
231.17421	2.1
233.15359	37.2
234.15581	1.1
235.13289	1.6
237.16328	0.9
243.40286	0.9
243.76402	0.8
249.18417	2.3
255.17436	2.3
269.10532	7.4
272.06003	0.7
273.18503	8.4
287.11658	5.7
291.19531	54.8
291.27011	1.8
297.25375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.53685	2.2
53.03945	7.4
55.01868	9.0
55.05514	49.9
57.03426	4.7
57.07070	7.7
59.04999	3.2
63.32479	2.2
65.03926	2.9
67.05501	54.5
69.03424	6.3
69.07069	42.8
70.18610	2.0
70.24953	4.7
70.25371	9.0
71.04992	6.5
71.08650	2.7
72.60957	2.2
79.05489	81.1
80.25305	2.2
80.71085	2.3
81.03430	4.5
81.07056	100.0
83.04997	9.4
83.08614	24.6
85.06542	6.5
85.28143	3.0
91.05479	88.5
93.07040	82.6
95.04987	19.2
95.06284	2.2
95.08607	64.2
95.09237	3.0
97.06545	7.1
97.10175	15.2
97.79114	2.2
99.08089	5.2
103.05464	4.0
105.07027	61.8
107.04978	10.0
107.08600	54.2
107.99615	2.4
109.06510	12.8
109.10149	28.1
111.08092	13.2
111.11710	2.8
115.05459	7.0
116.06238	5.1
117.07003	35.2
119.08575	47.9
121.06487	13.8
121.10146	35.9
123.04446	6.1
123.08059	10.3
123.11729	7.2
125.09619	5.3
128.06174	11.5
129.06978	14.9
130.07793	9.5
131.08568	63.5
133.06493	6.6
133.10120	23.6
135.08064	9.6
135.11679	22.7
137.09618	4.6
139.03899	4.2
139.11166	9.8
141.06963	2.5
142.07800	4.9
143.08568	46.8
145.06488	2.6
145.10117	65.1
147.08054	14.2
147.11644	12.4
149.09633	10.8
149.13248	19.3
151.07529	17.2
151.11227	3.9
155.08662	2.5
157.10091	13.3
159.11687	15.6
159.38043	2.1
161.09689	12.9
161.13255	5.8
163.11176	4.8
163.14825	7.7
169.10156	8.1
171.11725	13.8
173.13245	3.3
175.11165	5.0
181.10143	4.8
183.11722	3.0
185.13280	3.3
189.11198	3.3
189.12785	5.3
193.12268	3.1
195.11734	6.8
201.12663	2.3
207.13838	10.9
213.12717	3.2
227.18063	5.6
233.15274	3.4
237.16437	8.2
245.19032	4.1
246.13303	2.7
249.14853	4.6
255.17484	7.7
263.20175	2.3
273.18503	41.0
273.25745	6.4
291.19547	47.7
291.26825	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	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03952	0.9
55.01878	1.0
55.05507	5.8
56.81979	0.7
56.96563	0.7
57.03437	1.6
57.07074	2.7
59.04994	3.3
61.96517	0.6
67.05510	6.2
68.75097	0.7
69.03424	1.9
69.07064	3.3
70.24230	3.5
71.04983	2.8
79.05499	8.2
81.07054	9.2
83.04983	2.0
83.08614	3.6
84.68835	0.7
85.06535	2.7
91.05491	6.8
92.76398	0.7
93.07045	11.4
95.04991	5.6
95.08608	12.2
97.05991	0.6
97.06509	3.8
98.21394	0.9
104.39163	0.7
105.07029	10.5
107.04956	6.1
107.08595	7.5
108.05736	1.4
109.06512	10.7
109.10173	3.4
111.04481	0.9
111.08082	25.3
113.06052	1.3
113.09629	0.8
115.05530	0.9
117.07024	3.5
119.08595	8.6
121.06512	3.4
121.10147	5.8
122.07310	1.8
123.04433	3.3
123.08073	37.8
123.11726	2.0
125.09630	1.4
128.06226	1.2
129.06993	1.5
131.08549	6.1
133.06488	3.7
133.10124	9.3
135.08052	6.7
135.11707	3.0
137.09619	3.5
139.03896	3.1
139.07468	0.9
141.05431	1.1
141.07028	0.8
143.08549	4.4
145.10127	11.7
147.04346	1.2
147.08075	4.1
147.11667	6.0
149.09608	6.4
149.13193	0.9
151.07545	100.0
152.30891	0.8
153.09137	0.8
155.10701	1.6
156.09348	1.7
157.10135	3.6
158.10849	1.0
158.76851	0.7
159.08089	1.7
159.11705	4.0
161.09618	5.0
161.13214	2.1
163.11174	4.4
165.09090	1.1
169.10019	1.3
170.10907	0.8
171.11667	3.8
172.12367	0.7
173.09573	1.3
173.13300	3.6
174.10402	2.0
175.11200	4.3
177.09169	1.7
177.12729	2.2
179.10677	5.2
181.12222	1.6
185.13350	1.8
187.11185	2.4
187.14882	1.2
189.12750	30.2
191.10591	1.3
191.14290	4.6
192.11443	4.8
197.11720	15.0
197.13280	1.7
199.14993	0.9
203.14320	1.6
205.12193	1.1
207.13806	70.0
213.12759	0.8
213.16383	2.4
215.14319	2.9
217.12215	2.4
221.15297	0.9
221.53531	0.8
231.17349	1.8
233.15390	12.1
235.13254	2.2
255.17365	2.7
273.18539	9.1
291.19537	44.6
291.26608	1.3
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
53.00289	0.1
53.03943	0.6
55.01623	0.2
55.01872	2.2
55.05507	8.0
57.03419	0.6
57.07058	0.3
59.04996	0.3
60.22180	0.1
65.03928	0.5
67.05498	4.4
69.03420	1.4
69.06716	0.2
69.07066	3.1
71.04990	0.7
71.60673	0.1
73.06530	0.2
77.03930	0.1
79.05487	7.2
81.03424	0.9
81.07052	5.7
83.04973	1.3
83.08614	3.4
85.02904	0.1
85.06530	0.3
87.04460	0.2
91.05475	7.0
91.59727	0.1
92.06271	0.2
93.07036	5.5
94.04182	0.5
95.04961	3.2
95.08049	0.2
95.08607	2.5
97.02885	0.2
97.06512	0.7
97.10166	3.0
99.08057	0.2
100.42717	0.1
101.09623	0.2
103.05470	0.3
105.03366	0.3
105.07025	6.4
107.04282	0.2
107.04951	2.7
107.08591	3.3
108.05717	0.5
109.06499	1.2
109.10155	1.1
109.69175	0.1
111.08053	0.4
115.05442	0.5
116.06218	0.4
117.07011	2.7
119.04939	2.0
119.08573	4.9
120.05745	0.6
121.06496	1.8
121.10133	1.3
123.04429	0.3
123.08076	1.3
123.11671	0.2
125.09610	1.6
128.06210	0.4
129.07005	1.4
130.07782	0.9
131.04878	0.2
131.08560	2.8
132.05710	0.2
133.06482	4.1
133.10118	1.2
134.07268	1.1
135.08038	1.6
135.11678	0.6
137.06027	0.1
137.09604	0.3
139.03857	0.4
141.07129	0.1
142.07776	0.3
143.08560	1.5
145.06499	0.5
145.10123	2.2
146.07286	0.2
147.04466	0.2
147.08038	3.9
147.11655	0.6
148.08817	0.2
149.09650	1.2
149.13263	0.2
151.11179	0.1
155.08615	0.2
157.10138	1.0
159.08022	0.3
159.11691	0.7
161.09622	1.1
161.13197	0.2
162.10388	1.6
163.11185	0.8
165.09100	0.4
169.10152	0.1
171.11659	0.5
175.11171	1.0
177.12778	0.2
181.10081	0.1
183.10207	0.1
185.13293	0.2
189.11226	0.3
189.12805	0.2
199.11079	0.2
213.12520	0.1
213.16270	0.1
217.15898	0.2
223.13268	1.0
227.17882	0.2
231.17407	0.2
233.15315	0.2
245.18909	0.2
249.14842	2.4
255.17410	0.3
261.14871	0.5
262.15588	0.4
263.16327	0.2
273.18488	2.7
291.19516	100.0
292.19846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
52.51129	0.2
53.03940	1.1
55.01881	2.3
55.05511	7.9
57.03413	0.5
57.07072	0.5
59.04986	0.2
65.03928	0.6
66.70097	0.2
67.05174	0.4
67.05508	6.1
69.03428	1.1
69.07067	4.3
71.04980	0.6
71.60656	0.3
77.03882	0.3
79.05494	8.2
79.05961	0.4
81.03410	0.9
81.07059	6.5
83.04971	1.1
83.08613	3.4
89.06036	0.8
90.28399	0.2
91.05483	7.9
92.06284	0.3
93.07047	6.5
94.04195	0.5
95.04971	4.1
95.08601	2.9
97.02881	0.4
97.06537	0.8
97.10169	3.1
97.20483	0.2
103.05469	0.3
105.03387	0.3
105.07034	7.3
107.04952	3.4
107.08595	3.9
109.02907	0.3
109.06495	1.1
109.10148	1.7
111.08090	0.4
115.05434	0.6
116.06276	0.5
117.07033	3.3
119.04932	2.1
119.08589	5.3
120.05716	0.6
121.06499	2.4
121.10119	1.4
122.07301	0.2
123.04448	0.6
123.08083	1.3
125.09634	1.6
128.06223	0.5
129.06996	2.0
130.07764	0.7
131.08566	3.7
133.06477	4.1
133.10132	1.6
134.07300	1.3
135.08046	1.6
135.11702	0.5
137.09615	0.6
139.03908	0.8
141.07024	0.3
143.08563	1.6
145.06471	0.3
145.10129	2.1
147.08051	4.1
147.11700	0.8
148.08812	0.4
149.09627	1.1
149.13205	0.3
153.09079	0.4
157.10112	1.1
159.11749	0.6
161.09621	1.3
162.10365	1.3
163.11188	1.1
165.09109	0.5
169.10194	0.3
171.11664	0.6
175.11195	0.8
185.13275	0.3
189.12807	0.4
223.13235	1.7
227.17995	0.4
233.15326	0.3
245.19096	0.3
249.14897	2.9
249.18500	0.7
255.17368	0.3
261.14865	0.8
262.15738	0.4
263.16382	0.3
273.15790	0.4
273.18497	3.6
291.19540	100.0
292.19901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03950	1.6
55.01637	1.3
55.01874	19.1
55.05515	9.7
55.85708	1.1
57.03440	19.7
61.13543	1.2
61.89717	1.0
65.03930	2.0
67.05508	17.7
69.03435	3.3
69.07059	3.9
70.07458	3.7
70.07858	1.7
71.04975	1.4
79.05495	38.7
81.07059	16.0
83.04947	1.4
83.08616	4.8
85.06541	3.6
91.05484	28.7
93.07051	17.9
95.04970	5.8
95.08613	9.4
97.06516	2.3
97.10163	2.3
105.07033	20.0
107.04958	13.1
107.08594	23.2
109.06517	68.8
109.10153	3.5
115.05440	3.1
116.82484	1.0
117.07032	13.9
119.08585	8.1
121.06509	3.3
121.10120	4.9
123.04422	2.3
123.08047	3.3
125.09616	1.3
128.06247	1.3
129.07021	6.5
130.07765	1.4
131.08575	15.5
133.06491	1.8
133.10138	5.1
135.08055	100.0
135.11688	3.3
139.03949	3.2
142.07773	1.3
143.08530	4.6
145.10139	9.6
147.08051	6.4
147.11626	1.3
149.09621	6.6
149.13246	1.1
157.10132	6.0
159.08092	2.5
159.11676	5.1
161.09622	9.9
161.13304	1.5
163.11229	1.6
171.11678	3.8
173.13292	3.7
175.11186	2.9
177.12753	2.7
183.11713	2.0
185.13220	1.3
195.11725	1.4
199.11250	1.6
199.14804	4.9
201.12762	2.3
213.12872	1.4
217.15877	21.6
219.13774	2.1
227.18021	1.4
237.16328	1.2
245.19107	2.0
255.17535	3.9
273.18494	22.9
291.19543	53.6
292.54089	1.0
308.71536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03938	1.0
55.01862	2.5
55.05268	0.6
55.05510	8.8
56.58554	0.4
57.03439	0.9
65.03946	0.6
67.05504	6.9
69.03442	2.1
69.07060	3.9
69.32066	4.6
69.32378	0.5
71.04965	0.7
71.85850	0.4
74.61273	0.5
79.05023	0.6
79.05492	10.1
79.95541	0.4
81.03403	1.2
81.07057	8.4
83.04965	1.0
83.08618	4.2
91.05482	10.3
93.07044	7.5
93.16327	0.5
95.04971	5.2
95.08621	3.3
97.06538	1.0
97.10161	4.2
105.03413	0.6
105.07035	8.1
107.04958	4.0
107.08591	5.1
108.05769	0.5
109.06500	1.2
109.10161	1.2
111.11571	0.4
115.05443	0.9
117.07015	5.6
119.04929	2.2
119.08597	5.6
120.05755	0.6
121.06514	3.2
121.10158	2.4
123.04424	1.6
123.08048	1.5
125.09608	2.0
128.06261	0.5
129.07007	1.6
130.07765	0.8
131.08568	5.5
133.06480	3.3
133.10104	1.4
133.83369	0.4
134.07236	1.1
135.08049	1.8
135.11693	1.0
137.09621	0.8
139.03859	2.0
143.08525	1.8
145.06471	0.8
145.10120	3.9
147.08052	5.2
147.11679	1.0
148.08777	0.5
149.09613	1.4
157.10141	1.7
159.11656	1.0
161.06068	0.6
161.09587	1.9
161.13217	0.6
162.10349	1.0
163.11163	1.5
171.11575	0.6
175.11186	1.6
189.11153	0.7
195.11610	0.4
223.13228	2.1
241.58521	0.4
249.14854	3.3
255.17455	0.8
259.32169	0.5
261.14859	0.6
273.18533	6.3
274.71384	0.4
291.19540	100.0
292.19858	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
50.16928	1.9
50.67412	1.8
53.03938	5.9
55.01876	20.3
55.05508	19.5
57.03432	12.9
57.07079	2.8
63.10014	2.1
65.03930	7.5
67.05503	70.8
69.03421	5.9
69.07056	12.8
71.04981	2.7
71.42858	3.7
77.04672	1.8
79.05491	64.5
81.03410	5.3
81.07058	71.5
83.04981	8.0
83.08611	5.3
85.06548	4.7
86.52021	2.0
90.03165	1.8
91.05476	45.0
92.40395	2.0
93.07050	39.3
95.04968	100.0
95.08606	17.4
97.06529	6.0
97.10175	4.4
103.05436	2.6
105.04464	2.2
105.07024	32.7
107.04952	29.3
107.08588	31.6
109.06516	96.5
109.10133	7.6
110.13052	2.2
111.08068	3.6
115.05457	4.8
116.06236	2.2
117.07010	18.6
119.04923	2.9
119.08572	18.6
121.06526	14.3
121.10140	12.5
123.04418	5.3
123.08053	5.6
128.06236	4.8
129.07034	12.0
131.08585	24.9
133.06474	5.9
133.10123	10.9
133.64006	2.0
135.08055	83.0
135.11670	9.0
137.06062	1.9
137.09616	4.6
137.76006	1.8
139.03882	5.8
143.08560	13.3
145.10106	17.9
147.08052	11.8
147.11668	4.5
149.09616	11.6
149.13162	2.1
149.69772	2.1
155.08499	2.4
157.10101	9.1
159.11720	9.5
161.09602	13.7
163.11122	4.2
169.10135	2.5
171.11653	2.9
173.09648	3.4
175.11169	4.3
177.12737	3.3
183.11662	5.0
185.13229	3.4
187.11302	3.5
189.12720	3.1
199.14842	2.9
217.15875	14.5
227.17926	3.5
237.16258	3.3
239.56352	1.9
245.19054	2.9
255.17453	6.1
273.18500	41.7
280.96326	2.3
291.19550	63.3
291.22910	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
55.01872	2.0
58.10728	0.4
65.03938	1.2
66.07922	0.4
67.05495	1.6
67.65280	0.3
68.99789	2.1
70.06582	0.4
71.35195	0.8
77.03880	0.4
81.03405	0.6
83.04971	1.3
85.02901	0.5
91.05472	1.7
93.03410	1.2
95.04974	3.5
97.02866	0.5
105.03392	0.9
107.04984	0.4
111.04459	3.1
115.05469	0.7
119.04938	7.0
119.41700	0.3
121.02880	0.4
123.04430	67.8
123.76892	0.4
124.04821	0.8
127.03891	1.1
131.04926	0.5
133.06502	1.2
135.04378	0.5
137.02362	0.5
137.05981	1.1
139.03903	100.0
140.04265	1.7
140.23253	0.4
143.04935	2.1
147.04413	22.2
151.03877	1.9
153.05440	0.8
159.04433	0.6
161.05978	9.2
163.03923	1.5
165.05481	13.1
165.06905	0.7
169.04979	1.7
175.07666	0.5
177.05476	1.0
179.07007	3.9
181.04968	1.4
188.17662	0.4
189.05464	2.3
203.07098	0.6
207.06534	7.3
234.52878	0.4
249.07547	1.7
273.07611	1.1
273.12299	0.5
291.08600	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	291.0861
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02379	0.4
55.01865	1.9
55.05499	0.4
59.02579	0.4
65.03928	1.4
67.05505	1.9
67.05800	0.4
68.99780	1.9
71.12138	0.9
83.04977	1.7
83.79815	0.4
91.05486	2.4
91.24891	0.4
93.03393	1.3
95.04972	3.1
97.02869	0.5
105.03376	0.8
105.07009	0.6
107.04971	0.5
111.04458	3.4
115.05452	1.7
119.04935	6.5
123.04426	69.4
127.03887	1.8
131.04938	0.6
133.06502	1.2
135.04430	0.5
137.02327	1.0
137.05989	1.0
139.03899	100.0
140.04280	1.3
143.04906	2.8
147.04410	21.5
148.04723	0.4
151.03918	2.6
153.05473	0.8
161.05965	9.1
161.07240	0.5
163.03911	2.0
163.07584	0.6
165.05479	14.5
169.04974	1.2
177.05461	1.0
179.06995	3.0
181.04994	0.9
189.05461	2.3
207.06535	6.0
231.06560	0.4
249.07545	1.4
273.07565	1.2
291.08588	4.6
301.38724	0.4
313.76627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.5
53.03930	0.3
53.43347	0.3
55.01873	1.9
59.78582	0.3
65.03930	1.1
67.01867	0.5
67.05498	1.5
68.99780	1.9
69.03454	0.3
69.57168	0.3
70.58163	0.5
70.58554	0.6
79.05481	0.4
83.04979	1.6
85.02885	0.4
90.77775	0.3
91.05479	2.4
93.03402	1.7
95.04967	3.7
97.02879	0.4
105.03371	0.9
105.07033	0.6
107.04943	0.6
111.00772	0.4
111.04440	3.8
115.05480	1.4
119.04932	7.0
123.04423	66.2
124.04790	0.7
127.03949	1.5
131.04868	0.4
133.06473	1.2
135.04373	0.7
137.02325	1.2
137.05960	0.9
139.03894	100.0
140.04204	1.5
143.04895	2.6
147.04404	21.7
148.04897	0.3
149.05975	0.4
151.03896	2.1
151.07573	0.6
153.05452	0.6
157.06511	0.4
159.04420	0.5
161.05978	9.2
163.03899	1.6
163.07494	0.4
165.05473	11.7
169.04977	1.3
171.04405	0.4
177.05461	1.1
179.07022	2.8
181.04951	0.5
185.05795	0.4
189.05409	2.1
207.06512	6.5
237.17783	0.3
249.07550	1.3
273.07559	1.3
291.08609	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	290.2115
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01874	1.3
55.05495	0.8
57.06813	0.2
57.07077	1.8
59.04983	0.3
67.05499	0.3
68.04974	0.2
69.07066	3.0
70.06593	3.6
71.08619	0.4
73.02578	0.2
73.02923	2.8
73.06560	1.6
79.05480	0.4
81.07047	0.4
84.04480	0.5
84.08134	0.3
85.10176	0.3
88.07633	3.2
91.05454	0.4
93.07010	0.5
94.06552	0.2
97.06544	0.3
98.21546	0.4
98.61260	0.2
102.09151	0.3
105.07018	0.4
106.06583	0.2
106.08659	0.7
107.08585	0.4
109.06517	0.2
114.09162	1.6
117.05792	0.3
118.06545	10.5
118.08631	0.3
119.07332	0.3
119.08578	0.3
122.77720	0.2
123.04359	0.3
125.06058	0.2
132.08095	4.1
132.10207	5.3
133.08861	2.0
134.09631	1.0
134.28145	0.2
135.08092	0.3
139.03931	0.2
146.09637	3.3
147.04431	0.3
147.10458	0.4
148.11211	0.2
150.11264	4.1
160.11191	0.4
161.12006	0.3
174.12811	0.2
176.14345	48.0
177.14667	1.1
192.17522	0.7
202.15857	0.8
214.21690	0.2
228.23222	0.4
232.13307	1.0
233.13968	0.2
246.14819	1.4
246.24228	1.4
247.15718	0.4
260.16495	0.7
277.83054	0.2
290.21161	100.0
290.26688	21.7
291.21552	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	291.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	10.7
70.58611	10.6
70.58984	4.2
90.41653	3.3
95.56942	3.0
104.10697	4.4
143.05658	5.2
189.00674	4.2
291.04776	21.9
291.10629	100.0
292.04324	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	291.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	7.6
56.05025	6.9
56.96563	26.1
58.06591	4.7
59.07390	3.9
67.05504	7.6
69.03421	9.2
69.07064	3.8
69.73924	5.4
69.74339	14.1
70.06596	100.0
71.04991	3.5
71.06934	3.3
72.08150	7.9
73.02911	3.0
73.60966	3.2
74.06081	4.2
79.05510	6.6
81.03386	5.2
81.07059	12.4
83.08639	8.7
84.04511	40.7
84.08148	11.5
85.02888	13.1
85.06539	4.8
86.09697	10.9
87.10041	5.7
88.03973	6.3
88.51701	3.4
88.84953	3.2
90.78762	3.3
91.05480	4.6
92.04994	3.5
93.03383	3.6
95.04996	5.3
95.06102	3.9
97.02891	14.4
98.06067	4.0
98.20774	4.2
98.97581	44.6
102.05574	6.6
109.06554	4.8
110.07177	5.0
110.68257	3.4
111.04450	7.5
112.07611	58.7
113.06057	3.7
115.08688	9.6
116.07117	9.4
116.98619	49.7
119.04981	3.0
120.02083	3.6
123.04419	25.1
126.09146	10.8
127.03886	5.6
127.07544	4.2
128.98633	8.3
129.05492	12.9
130.05022	7.5
134.99670	44.2
136.06210	18.4
138.05591	4.3
139.03889	40.0
143.00192	3.5
144.06567	8.9
144.10234	7.5
146.06107	3.3
146.99660	12.3
147.04454	12.5
153.00719	3.5
155.04572	5.0
158.99669	9.7
159.07729	4.2
161.01207	9.9
161.05995	3.7
162.07613	5.9
162.11253	6.0
163.03989	5.6
165.00728	6.3
165.05524	8.1
175.10831	10.4
177.00725	34.1
189.00803	6.4
189.04370	10.9
195.01678	5.1
217.12755	4.2
219.01738	5.2
237.02841	19.6
246.09898	5.7
273.07611	3.2
273.11935	4.3
273.14572	14.1
291.07962	23.0
291.13031	8.1
291.15878	6.9
291.19223	3.5
309.08420	19.1
310.97156	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	290.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.1
55.65137	0.2
56.96529	0.3
57.03411	0.3
59.04983	0.7
64.00555	0.2
67.05505	0.3
68.99774	0.2
69.07069	4.3
70.15704	0.5
70.16093	0.6
71.04995	0.2
71.48052	0.2
73.06556	2.2
79.05489	0.4
81.07030	0.8
84.04481	0.7
85.02929	0.2
91.05481	0.4
93.07018	0.5
95.08603	0.3
96.08952	0.2
97.06485	0.2
105.07049	0.4
106.06512	0.3
107.08578	0.4
109.10127	0.2
117.07011	0.2
118.06541	16.5
119.07314	0.6
119.08575	0.3
120.08081	0.3
123.04408	0.4
131.08559	0.3
132.08089	5.4
133.06464	0.2
133.08873	3.1
134.09673	1.3
134.17058	0.2
135.73495	0.2
139.03902	0.5
146.09650	4.9
147.10403	0.7
147.11531	0.3
148.11220	0.5
160.11243	0.6
161.11928	0.3
166.85333	0.2
175.07526	0.2
176.14345	76.1
177.14656	1.9
216.13910	0.4
234.14929	0.4
245.08122	0.4
246.15070	0.2
279.36539	0.2
290.21140	100.0
290.93277	0.2
291.21542	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.72718	1.0
53.03940	2.7
55.01843	1.3
55.05509	18.1
56.55569	0.9
56.96560	1.7
57.03418	1.6
57.07073	7.3
67.05504	30.0
68.29736	0.9
69.03417	3.4
69.07068	35.9
69.53237	2.5
69.53657	6.1
71.04984	2.9
71.08636	1.3
72.04520	1.0
72.08157	1.3
76.04057	0.9
79.05495	20.1
79.28623	0.9
81.03439	1.4
81.07055	78.7
83.04975	1.2
83.08618	9.9
84.04478	0.9
85.02892	2.7
85.06544	16.1
91.05481	19.3
91.81161	1.0
93.07041	39.7
95.04981	5.2
95.05496	0.8
95.08606	66.4
96.69756	1.0
97.02864	1.5
97.06515	2.7
97.10174	5.1
98.20727	1.2
99.08094	7.5
102.72803	0.9
103.88745	1.2
105.07029	49.2
107.04897	1.1
107.08593	39.1
109.02767	1.0
109.06521	2.4
109.10152	39.2
111.08086	4.0
111.11731	2.1
113.09635	2.3
114.09187	1.6
116.98602	1.2
117.03423	0.9
117.07008	6.0
119.04932	0.9
119.08583	43.1
121.06542	1.2
121.10135	30.8
123.04405	3.3
123.08094	2.0
123.11704	17.2
125.09612	4.1
127.03910	1.4
127.11228	1.4
129.06978	1.3
131.08559	12.9
133.02821	1.0
133.10124	28.2
135.04419	4.5
135.11693	19.7
137.05969	2.7
137.09579	1.8
137.13240	6.2
138.05371	0.9
139.11157	4.8
143.08580	1.4
145.02858	1.2
145.10123	19.9
147.11684	37.2
149.09615	1.1
149.13257	21.4
151.11189	1.6
153.01851	6.6
157.10153	1.2
159.11685	20.9
161.13249	30.3
163.03911	4.2
163.14806	10.1
165.12759	2.1
169.06506	1.3
171.02954	1.2
171.11705	1.3
173.13252	12.7
174.12750	1.1
175.14824	13.5
176.14246	1.6
177.16338	4.6
179.14343	2.4
187.14795	8.4
189.16385	8.9
191.17957	1.4
193.15881	2.1
201.16338	6.8
203.17917	2.9
215.14377	1.2
215.17979	8.2
217.19469	2.3
218.11797	4.1
219.17453	2.2
220.20969	1.0
229.19557	2.8
231.20988	1.6
233.18980	3.0
243.06499	1.2
245.22650	1.5
271.06085	1.2
271.10672	1.3
271.24188	15.4
289.06467	9.3
289.11557	2.7
289.18329	2.7
289.25259	100.0
290.25629	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.216
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03930	2.8
55.01865	0.9
55.05264	1.5
55.05507	19.4
55.08941	0.7
57.07051	0.8
57.68495	0.8
59.04985	1.7
63.05622	0.7
65.03931	1.6
67.05502	22.0
69.03412	1.0
69.06720	1.3
69.07067	15.8
69.90431	3.7
71.04964	1.3
73.06563	1.9
79.05489	22.5
81.06575	1.5
81.07050	25.3
83.04981	1.0
83.08614	7.0
83.13528	0.8
85.06551	4.3
91.05476	59.6
93.07037	19.1
95.04942	3.6
95.08048	1.2
95.08605	17.7
97.06502	2.3
97.10147	2.9
101.05996	1.0
103.05450	2.7
105.07026	85.7
106.07314	1.6
107.08587	13.2
109.06527	1.9
109.10144	8.5
111.04433	0.7
111.08064	1.3
111.91959	0.8
115.05438	1.8
117.07011	14.3
119.08575	57.8
120.08907	1.0
121.06481	1.1
121.10149	7.5
123.08035	1.3
123.11666	0.9
125.09591	1.4
129.06960	3.8
130.07761	1.4
131.07581	1.3
131.08563	23.6
132.09381	1.2
133.10123	58.4
134.10455	1.5
135.04373	0.8
135.08035	1.9
135.11707	4.7
141.06932	1.3
142.07814	0.7
143.08542	4.3
145.09039	1.3
145.10120	19.8
147.08060	1.9
147.11685	30.9
148.12016	1.1
149.09578	1.2
149.13242	2.1
155.08513	2.9
157.10138	5.2
159.11688	15.8
161.09627	1.1
161.13258	11.5
163.11142	1.3
169.10011	3.8
171.11684	5.5
173.09660	0.9
173.13239	13.6
175.11203	1.9
175.14816	2.0
183.11707	4.0
185.13225	3.1
187.11197	1.7
187.14833	1.4
189.12778	1.1
197.13249	4.2
201.12735	2.1
211.14763	2.3
213.16412	2.3
215.14302	1.5
215.17960	4.2
229.15886	1.8
229.19524	2.8
233.15417	0.9
239.17894	8.1
247.08539	0.8
247.16884	0.9
257.19016	14.1
271.17035	1.0
271.20181	0.9
289.06152	1.4
289.21600	100.0
290.21970	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	289.2161
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03944	1.5
55.01895	0.9
55.05509	17.4
56.36702	0.8
56.47703	0.8
59.04988	1.7
65.03926	2.5
67.05502	17.8
69.07066	13.1
71.04978	1.3
73.06549	1.9
79.05495	17.5
81.07059	21.8
83.04950	1.5
83.08621	6.6
85.06532	3.9
87.08123	1.2
91.05482	43.7
93.07044	18.8
95.04949	2.3
95.08603	15.2
97.06524	2.5
97.10163	2.2
99.08080	1.1
103.05473	2.7
104.06252	1.3
105.03302	1.0
105.07030	70.0
107.08579	10.2
109.06525	1.2
109.10148	6.3
111.08080	1.3
117.07020	13.9
119.08582	49.6
120.08973	0.8
121.10158	7.2
123.11704	1.1
129.06995	3.6
131.08563	19.3
133.10129	44.1
134.10500	1.6
135.04416	1.2
135.08040	2.5
135.11696	3.3
136.06351	0.9
143.08553	3.7
145.10121	17.8
147.11687	25.4
149.09596	2.2
155.08569	1.8
157.10147	4.4
159.11691	16.9
161.09662	1.3
161.13258	12.1
169.10139	3.3
171.11684	4.9
172.13907	0.9
173.09691	1.3
173.13255	13.2
175.11217	1.4
175.14746	2.1
183.11681	3.4
185.13245	2.4
187.11153	2.1
187.14775	1.6
189.12735	1.6
193.12125	0.9
197.13242	3.2
201.12672	2.2
204.15976	1.0
211.14835	2.2
213.16373	2.2
215.14374	1.5
215.17957	3.2
238.37514	1.2
239.17961	6.8
240.82208	1.1
247.16919	1.3
257.19022	13.0
258.19421	1.0
272.07010	1.4
289.06290	1.3
289.21613	100.0
290.08218	5.5
290.21939	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05271	1.4
55.05512	25.1
57.03413	1.3
59.04999	1.5
61.95865	1.1
65.18234	1.1
67.05502	21.5
69.03386	1.2
69.07071	15.2
69.86073	4.6
69.86501	3.8
71.05005	2.1
73.06529	2.1
79.05488	19.1
80.26997	1.1
81.07054	22.2
83.04951	2.1
83.08616	9.3
85.06531	3.4
88.01509	1.2
91.05482	52.2
93.07040	17.0
95.04965	2.7
95.08603	12.9
97.10185	6.2
103.05446	2.3
105.07029	100.0
107.08575	10.0
109.06490	1.4
109.10152	6.4
112.01015	1.2
117.07013	15.5
119.08581	48.2
121.06497	1.5
121.10123	4.9
123.08057	1.8
123.11709	1.5
125.09606	3.5
129.06978	3.0
131.08566	24.3
132.09325	1.1
133.10127	61.1
134.10493	1.5
135.11685	3.5
141.06973	1.8
143.08549	5.3
145.10118	43.0
147.11690	47.3
149.09608	1.3
155.08537	2.4
157.10133	4.8
159.11694	17.0
161.13255	7.8
169.10118	2.0
171.11671	7.2
173.13264	7.2
175.14851	1.8
183.11687	5.1
185.13216	2.2
189.12888	1.6
197.13303	4.6
201.12675	1.7
211.14850	1.8
213.16367	1.7
215.17957	1.7
229.15788	1.7
239.17981	9.3
257.19009	33.1
284.73431	1.4
289.21613	92.9
290.21896	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	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03941	1.5
55.01861	2.1
55.05271	1.4
55.05513	23.0
59.04992	2.1
65.03936	1.7
67.05177	1.4
67.05506	22.2
69.07064	19.2
69.52757	9.6
71.05003	1.6
73.06553	2.6
79.05494	17.0
81.07057	26.2
83.04978	1.4
83.08625	13.1
85.05776	1.2
85.06528	5.2
91.05486	50.7
92.20988	1.1
93.07050	21.2
95.04961	1.8
95.08051	2.1
95.08605	23.2
97.06538	2.3
97.10133	2.4
99.08070	1.4
100.25424	1.1
103.05433	2.2
105.07030	71.0
107.08597	9.4
109.06509	1.8
109.10147	8.8
111.08082	2.7
117.07015	16.8
119.08582	69.4
121.10140	8.1
123.08063	1.5
125.09647	1.5
129.07022	4.5
131.08562	23.8
133.10138	33.8
135.08038	2.8
135.11664	3.2
141.06987	2.8
143.08551	5.3
145.10120	30.1
146.10886	1.4
147.08012	2.5
147.11690	37.5
149.09622	3.0
155.08574	2.5
157.10139	11.3
159.11690	31.6
160.12135	1.1
161.09657	3.1
161.13257	19.7
169.10138	5.3
171.11682	6.8
173.13268	19.0
175.11185	2.6
175.14777	2.7
183.11696	4.5
185.13272	3.4
187.11169	2.0
187.14911	2.1
189.12766	2.1
197.13278	3.6
201.12717	1.8
211.14888	2.8
215.17911	5.1
229.15878	2.7
229.19476	1.9
239.17941	16.0
257.19025	22.0
289.18393	4.0
289.21613	100.0
290.22018	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
53.56525	1.1
55.01857	2.2
55.05493	3.8
56.04995	1.7
56.96553	4.8
57.03424	2.1
57.07053	1.4
59.05003	5.2
60.05648	91.9
61.02930	11.0
63.95738	1.3
65.03926	4.8
67.05489	3.8
68.05025	2.6
68.99781	2.4
69.03409	3.0
69.07050	1.1
70.06578	3.9
71.04987	10.6
71.28156	2.6
72.08147	2.4
74.06079	2.5
79.05504	5.9
80.04998	1.8
80.60880	1.3
81.03409	2.9
81.04159	1.2
81.04543	13.6
81.07058	25.1
82.05311	7.9
82.06545	1.7
83.04968	2.3
83.06079	4.5
84.04501	3.3
84.08112	3.6
85.02882	3.2
86.09686	3.7
87.08073	2.2
88.35897	1.1
89.03912	1.4
91.05466	1.5
93.03401	2.6
95.04967	1.7
95.06086	34.1
96.04446	1.3
97.02874	3.2
97.06506	1.2
98.97580	2.2
99.04396	1.1
107.04947	3.0
108.08114	1.3
109.06513	1.4
109.07626	1.4
110.06042	35.9
111.04456	11.7
111.05568	63.9
116.98625	2.6
117.02959	2.4
121.02795	1.8
123.04424	20.7
123.05534	70.9
123.39058	1.2
125.07104	2.6
127.03909	21.8
127.08676	75.3
128.08989	1.3
134.99638	3.7
135.04414	37.5
136.04678	1.1
136.07576	2.0
137.02365	1.9
137.05902	1.1
139.03905	44.5
141.06584	100.0
142.05072	1.3
142.06984	1.4
143.00201	1.4
146.99617	1.3
149.02315	4.8
149.05965	1.2
150.99066	1.2
151.03922	7.7
154.04988	2.7
157.06503	1.1
157.07642	1.3
159.04372	1.1
161.01180	1.8
163.03908	8.4
163.12346	6.6
167.03363	1.3
168.10143	1.3
169.09569	2.1
169.10858	25.5
171.07661	3.4
171.11275	3.6
173.05959	1.4
173.12866	1.2
174.02907	1.1
179.03409	2.3
187.03986	1.3
191.11800	2.3
197.06012	2.2
199.08083	1.2
201.05426	1.8
209.12910	6.0
213.09822	96.8
214.10002	2.2
215.06891	1.7
215.10138	1.5
221.12845	20.0
221.14830	1.7
227.14912	2.4
229.04906	2.7
229.11833	3.1
231.06389	2.6
239.13919	31.8
241.15462	13.4
243.06409	1.4
253.15439	3.1
257.12476	8.8
259.05981	3.8
261.07681	2.6
267.00204	3.4
271.06012	3.6
271.13940	10.7
271.16522	97.2
272.16885	1.6
285.01352	1.9
289.07382	8.8
289.12494	50.9
289.17606	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	289.1547
Annotation	N-(3-Indolylacetyl)-L-leucine
Peak:m/z	Relative Intensity
53.03910	0.4
55.01843	0.4
55.05499	1.1
56.96556	0.4
57.03453	0.4
57.07067	0.4
65.03946	0.5
67.05491	1.3
67.34657	0.4
68.99775	0.5
69.07061	1.7
70.66198	0.6
70.66532	0.6
73.81792	0.4
79.05486	2.5
80.05024	0.4
81.07059	3.8
83.04951	0.5
83.08634	0.4
85.06541	1.0
91.05482	5.6
92.06238	0.4
93.07027	2.2
94.06577	1.1
94.39032	0.4
95.04972	1.0
95.08618	3.0
96.08123	2.2
97.06541	0.6
98.20829	0.5
101.69113	0.4
103.05476	0.5
104.05032	0.4
105.05790	0.5
105.07030	1.5
106.06541	2.1
107.04922	0.5
107.08591	1.3
108.08094	1.0
109.02863	0.4
109.06524	0.4
109.10181	1.0
111.04410	0.5
111.08012	0.5
116.04970	0.8
117.03365	0.5
117.05762	1.6
118.06548	5.2
119.07400	0.4
119.08575	1.4
120.07238	0.7
120.08102	13.6
121.10165	1.4
122.05984	0.5
122.09655	1.0
123.04417	0.5
123.11662	0.4
124.07590	11.2
126.09141	1.2
131.08551	0.7
133.10168	0.8
134.06007	5.4
135.04416	0.8
135.11707	0.7
136.07570	7.1
137.02362	0.4
137.13333	0.4
138.05478	2.2
138.09175	0.6
145.02850	0.7
145.10106	0.7
146.06000	3.7
147.06781	2.7
147.11714	0.8
148.07570	9.9
150.09134	0.8
152.07045	1.4
153.01833	5.9
154.02190	0.4
159.11626	0.8
161.13268	0.6
163.03888	3.4
164.07060	100.0
165.07591	1.7
166.08638	2.5
170.16754	0.4
171.02934	1.1
175.14937	0.5
179.03421	0.5
180.06621	0.4
200.10789	0.8
201.16364	0.4
214.10995	0.8
215.15451	1.7
216.10208	2.2
226.12219	0.7
228.10168	0.5
229.13371	1.1
243.14937	5.4
245.16507	2.1
253.13388	1.2
254.11748	1.0
271.14407	22.3
271.24030	0.5
289.06598	5.8
289.15451	69.5
289.24927	2.2
290.15869	1.4
291.15802	0.5
308.77573	0.4
314.04703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.48551	0.2
56.05024	0.2
56.96550	0.6
57.03428	0.5
60.05627	0.4
69.03418	0.3
69.96133	0.8
70.06588	1.1
71.05003	1.7
71.06905	0.2
72.08137	0.4
73.08536	0.2
74.75407	0.2
79.05488	0.2
81.03407	0.3
81.04543	0.2
83.04945	0.2
84.04481	0.3
84.08130	0.5
85.02907	1.9
86.09711	0.3
87.06710	3.5
95.08574	0.2
98.97601	0.4
111.04404	0.4
116.07081	0.2
116.98597	0.3
119.01906	0.2
123.04425	0.5
124.07596	0.2
126.03046	0.2
127.03808	1.0
134.99579	0.2
135.04401	1.2
136.07591	0.2
139.03886	0.7
143.05635	100.0
144.06029	0.3
151.03943	0.4
154.77953	0.2
161.01364	0.2
161.02827	0.2
163.03946	0.3
178.56909	0.2
185.04202	0.2
203.05283	0.3
289.08847	2.6
289.11560	3.3
289.17740	0.2
289.20612	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1072
Annotation	1-Hydroxy-3-(4-hydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-2-propanone
Peak:m/z	Relative Intensity
53.03936	1.0
55.01860	2.4
55.05295	0.7
55.05510	7.5
56.52942	0.7
56.96556	0.9
57.03425	1.0
57.07072	1.9
59.04954	0.7
65.03925	2.6
67.05507	9.5
67.99323	0.6
68.99764	1.3
69.03436	1.9
69.07068	9.8
71.04987	1.7
71.61162	0.8
79.05103	0.8
79.05489	6.0
81.07059	17.8
83.04976	1.3
83.08619	4.4
84.04536	0.9
85.06532	3.3
86.20409	0.7
89.69415	0.9
91.05476	21.9
93.07047	11.0
95.04951	6.4
95.05482	0.8
95.08604	13.7
97.02873	0.9
97.06519	1.9
97.10143	1.4
99.08092	3.2
103.05449	2.2
104.30894	0.7
105.07035	11.2
107.01431	0.6
107.04948	2.6
107.08598	10.2
109.06507	1.5
109.10161	10.1
110.03659	1.4
111.04420	1.4
111.08092	1.3
111.11717	1.0
113.09623	0.8
117.06999	1.8
118.04155	0.8
119.04952	18.6
119.08584	8.7
121.02857	0.7
121.06474	3.5
121.10147	8.3
123.04430	100.0
123.08035	1.7
123.11720	3.7
124.04774	1.2
125.05974	0.9
125.09651	0.7
127.03841	1.2
128.06190	1.1
129.07016	0.9
131.08569	4.9
133.06497	2.7
133.10123	7.3
135.04411	4.4
135.08058	1.1
135.11693	5.1
136.06090	0.8
136.07541	0.7
137.02342	3.4
137.05983	1.6
137.09576	0.7
137.13289	2.0
138.03123	7.6
138.52789	0.8
139.03928	1.2
143.08554	0.8
145.10117	5.1
147.04416	48.1
147.11694	6.3
148.04671	0.7
148.35089	0.6
149.05988	7.1
149.09579	1.4
149.13243	3.2
151.03909	1.3
151.11194	0.9
153.01924	3.9
153.05469	81.9
154.05815	1.2
155.08649	0.8
157.10115	1.4
159.08073	0.9
159.11678	7.0
161.06061	1.1
161.13274	5.6
163.03894	3.1
163.11195	1.6
163.14880	2.3
164.07108	1.2
167.07037	2.7
169.06619	0.8
171.02969	1.3
173.09605	1.0
173.13255	5.5
175.14833	2.6
176.14296	1.5
177.05611	0.7
177.12831	0.9
177.16357	1.3
179.07053	9.4
185.13289	0.8
187.14827	2.9
189.16441	2.5
191.17995	1.3
196.23610	0.7
201.09052	0.9
201.16435	3.0
205.15878	1.0
211.07613	1.0
215.17946	1.8
219.17378	1.0
231.02791	1.1
243.06586	1.0
259.02505	1.2
261.07590	0.8
271.17065	1.6
271.24228	3.1
274.04684	4.1
289.06760	13.9
289.10791	3.6
289.15173	1.0
289.18155	4.3
289.22476	1.5
289.25327	22.6
308.83945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0705
Annotation	Isookanin
Peak:m/z	Relative Intensity
55.01862	1.3
58.11532	0.6
60.04512	0.6
60.05653	6.6
65.03943	6.4
67.01872	0.6
67.05487	2.9
68.99776	3.4
69.28509	3.8
69.28927	3.2
70.06582	1.1
72.60863	0.7
79.05482	2.1
80.05000	3.6
81.03403	1.5
82.88622	0.6
83.04971	0.9
84.08138	1.5
85.02917	0.8
89.03913	3.7
91.05479	1.3
93.03426	5.3
95.04942	3.4
97.07679	3.2
98.20850	1.4
103.05477	0.7
105.03354	0.9
107.04945	6.6
109.02880	1.7
111.00805	1.3
111.04439	29.9
115.05483	0.9
117.03378	3.1
121.02870	2.8
121.10091	0.7
123.04425	57.6
125.07111	2.8
127.03913	17.3
129.07025	0.9
130.06531	2.6
130.08636	1.0
131.04927	3.9
135.04419	100.0
135.05504	5.6
135.50209	0.6
136.05222	0.9
136.06161	0.7
137.02353	5.3
137.03362	0.9
139.03903	37.5
141.06978	1.4
145.06506	1.1
147.04433	1.4
149.02333	16.6
149.05994	2.2
150.03125	0.8
151.03899	18.7
151.08624	1.2
152.04565	0.7
153.01839	2.0
153.06631	1.3
154.05101	1.5
157.06471	2.0
157.07637	2.1
158.06017	2.1
159.04428	1.5
160.05185	0.7
161.06027	1.2
163.03893	15.2
168.06578	13.8
169.06584	2.0
169.09697	3.2
171.07692	2.0
173.06006	2.2
175.07512	0.7
177.05501	1.4
179.03400	2.6
185.05991	2.6
185.09242	9.7
187.03958	1.9
197.05988	3.2
203.08270	1.2
205.04987	1.5
211.11926	1.2
213.05508	4.7
215.06979	3.3
217.05014	1.1
219.06699	0.7
225.05409	1.2
227.11526	2.0
228.04341	0.9
229.04901	0.8
229.09477	1.3
229.11816	26.6
231.06511	11.2
237.57524	0.8
241.04964	4.4
243.06593	4.4
245.04538	1.6
247.05750	0.8
253.04979	0.8
259.06024	14.5
261.07541	8.4
271.06015	7.4
271.13998	24.5
273.04028	0.9
289.07080	11.7
289.11871	1.2
289.15024	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	289.0704
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
55.01881	0.9
55.05506	1.8
56.05045	3.2
56.96563	2.3
57.03417	0.9
67.01865	5.9
67.05495	1.6
68.02196	0.6
68.99794	3.8
69.03420	3.2
69.07058	1.7
70.06546	0.7
71.60485	0.6
74.06063	1.8
78.50098	0.5
79.05485	2.4
81.03396	1.3
81.07057	2.6
84.04479	0.5
85.02898	1.9
85.06548	1.0
89.03924	4.9
91.05472	1.7
93.07053	2.6
95.04957	1.5
95.08599	2.0
97.02870	1.9
97.06549	0.6
98.97603	2.2
105.07017	1.5
107.04969	2.3
107.08598	1.1
109.06557	0.7
109.10151	1.7
111.00778	3.1
111.04479	2.6
114.10276	0.6
116.98622	2.2
117.03384	5.6
119.08572	1.8
121.02843	1.5
121.10154	1.6
122.28030	0.6
123.04443	4.9
123.11742	0.6
124.07613	0.5
125.02367	0.8
125.09632	0.7
127.03912	1.6
129.01849	1.0
131.08528	0.7
133.10127	1.0
134.99646	1.2
135.04408	14.9
135.11684	1.1
136.04732	1.4
136.07561	1.0
137.02344	1.3
137.04919	0.6
137.05962	2.1
139.03909	1.3
143.05725	0.8
145.02852	8.2
145.06517	0.8
147.11729	0.7
149.06012	0.6
151.03879	1.3
153.01830	84.9
154.02122	2.9
155.02266	3.5
156.07991	0.8
159.04454	1.0
161.05989	0.6
161.13231	0.7
163.03909	48.5
164.07001	1.0
165.08542	0.9
171.02890	23.8
172.03294	0.8
177.00739	1.3
179.03384	5.2
187.03864	2.0
187.11218	1.1
199.11647	0.8
200.80119	0.7
205.04961	0.9
243.06261	1.2
247.06018	0.7
256.13257	0.8
265.13715	1.9
271.06000	3.1
271.10678	0.6
271.13840	1.3
280.14301	2.8
289.06479	100.0
289.14957	1.7
289.17725	1.8
289.25079	1.2
290.07224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01871	2.0
55.05499	2.8
60.05357	1.5
60.05647	22.0
62.67454	0.9
65.03938	7.6
67.01341	1.0
67.05479	3.2
67.63598	0.9
68.99780	4.2
69.03410	2.9
69.58048	7.5
70.06586	2.4
72.08141	2.1
73.06543	1.9
79.05481	2.3
80.05009	11.5
81.03410	2.6
81.07077	1.2
83.04974	3.9
84.04517	1.4
84.08127	4.0
85.02894	1.3
86.03511	1.6
86.09673	1.6
86.29473	1.0
89.03925	5.2
91.05475	1.5
93.03384	3.5
95.04972	3.5
96.04474	3.1
97.02893	1.9
97.07653	11.5
98.06051	2.3
99.04430	1.5
101.06001	2.2
103.05475	1.0
105.03368	1.1
107.04969	6.7
108.04476	2.6
109.02869	2.0
109.07574	1.0
111.00829	1.8
111.04440	30.4
115.47067	1.0
117.03364	4.0
118.06121	3.2
121.02831	3.5
123.04428	56.9
125.03495	1.5
125.07112	11.8
126.05544	1.7
126.06532	1.1
127.03912	27.6
129.06963	1.5
130.06502	3.3
131.04861	4.0
135.04402	100.0
135.05521	23.9
137.02324	4.6
139.03902	53.2
141.06720	1.3
147.04356	1.1
149.02347	14.5
149.05934	2.6
150.03125	1.8
151.03893	20.4
151.08621	2.1
152.07108	1.9
153.01845	2.1
153.06537	6.2
154.04979	5.1
157.06413	2.8
157.07629	4.1
158.06073	2.5
159.04427	2.1
161.05971	1.1
163.02556	1.4
163.03908	23.4
167.03484	1.4
167.08176	1.3
168.06561	55.7
169.06491	2.3
169.09746	12.1
171.07697	9.0
173.05946	2.0
175.08714	1.5
177.05438	2.9
179.03401	3.4
181.06638	1.1
185.05920	1.9
185.07532	2.3
185.09212	43.2
187.03850	3.1
187.07430	1.6
195.08783	1.7
197.05931	5.0
198.07553	1.0
201.05362	2.2
203.08293	1.7
205.05037	2.3
209.58109	1.2
211.11916	2.9
213.05412	3.2
215.07025	4.1
225.05486	1.8
227.08205	1.3
227.11394	9.1
229.11827	97.5
231.06448	7.7
241.04968	1.8
243.06519	4.8
245.04491	1.4
247.05978	1.8
254.11351	1.6
258.09991	1.2
259.05994	12.4
261.07584	8.5
271.06107	8.9
271.14001	91.5
289.07043	17.3
289.11908	5.5
289.15039	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	289.0704
Annotation	Neoplathymenin
Peak:m/z	Relative Intensity
51.02363	1.0
53.03932	1.3
55.01864	1.9
56.96553	1.9
65.03935	2.5
67.01849	1.8
67.05505	2.4
68.99787	4.4
69.03426	2.1
69.07079	0.9
69.67221	7.0
70.06587	1.6
73.02888	1.2
77.03917	1.8
79.05471	2.0
81.03413	2.1
81.07048	1.3
83.04948	0.9
84.08143	2.1
89.03911	4.2
91.05471	2.0
93.07024	1.0
95.04977	4.9
95.08595	0.9
97.02903	1.8
98.97599	1.5
105.03378	2.7
107.04948	14.2
109.02892	1.3
111.04414	5.8
115.05408	1.3
116.98600	1.2
117.03377	3.4
117.07001	0.9
119.04945	1.6
121.02860	4.1
123.04424	100.0
127.03905	5.5
129.46237	1.0
131.04912	3.5
131.08510	1.0
133.02837	0.9
135.04417	22.8
137.05952	1.8
139.03889	20.7
141.06953	2.1
145.02870	5.7
149.02336	14.8
149.06010	1.2
151.03912	7.5
153.01822	27.8
159.04431	1.8
161.05984	1.5
163.03899	37.4
167.03403	1.1
169.06471	2.9
171.02913	3.3
171.04398	1.3
173.05980	1.9
175.00684	0.9
177.05460	2.9
179.03516	1.3
181.06468	1.6
185.05983	1.4
187.03824	5.4
195.81323	1.0
197.05962	4.1
199.03937	1.0
201.05438	1.8
201.08904	0.9
203.07133	1.4
205.04997	3.8
213.05508	1.1
215.06982	16.9
219.02022	1.0
225.05472	2.0
229.04936	1.4
229.13390	1.7
237.02849	1.5
243.06505	17.0
245.04480	3.1
253.04982	1.7
259.06143	1.1
261.07761	1.3
271.05954	9.7
271.14401	1.5
289.07068	26.1
289.11145	3.0
289.15469	4.1
289.18228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
50.61672	0.5
51.27109	0.5
53.85849	0.4
55.01866	0.6
65.03930	0.7
67.01868	2.9
67.05484	1.4
68.99775	2.7
69.03422	2.2
69.07063	1.5
70.73860	1.6
79.05488	2.4
81.07076	2.6
89.03911	4.7
91.05470	2.5
93.03409	0.8
93.07038	1.7
95.04969	0.9
95.08604	2.7
96.08133	0.9
97.02879	1.4
105.07017	1.8
107.04960	3.2
107.08588	1.8
107.18452	0.5
109.10155	1.2
111.00796	3.3
111.04431	2.6
115.05457	0.6
117.03373	8.2
117.05740	1.0
118.06514	1.5
119.08558	2.2
120.08112	3.8
121.06521	0.5
121.10173	1.2
121.28194	0.5
123.04431	5.6
123.08061	0.5
124.07589	2.6
127.03932	0.8
129.05676	0.6
131.04845	0.5
131.08517	0.6
133.10101	1.0
134.06009	1.7
135.04417	16.8
135.11673	0.8
136.07556	1.9
137.05965	0.6
139.03894	1.9
143.29276	0.5
144.50023	0.5
145.02852	11.0
145.10138	0.7
146.06007	1.2
147.06859	0.9
148.07550	3.1
151.03914	1.4
153.01831	100.0
154.02219	0.6
159.04457	1.0
159.11681	0.6
161.06006	0.6
161.13208	0.6
163.03909	61.6
164.07068	30.8
166.08710	0.9
171.02893	8.8
173.13252	0.7
175.14725	0.5
179.03418	6.4
187.03899	1.6
199.46239	0.5
205.04846	1.2
216.10210	1.2
239.87677	0.5
243.14886	1.7
247.06009	0.8
253.04973	0.7
271.06155	2.6
271.10764	1.8
271.14404	6.5
271.17227	0.7
289.07077	80.5
289.15442	23.3
289.25116	2.5
290.07413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26257	1.0
53.03933	2.0
55.05509	1.0
56.96559	1.7
57.03425	0.8
65.03922	1.5
67.05502	5.3
68.05014	1.9
68.99783	1.4
69.03427	1.9
69.07065	14.5
70.06583	1.4
70.74322	1.4
70.74660	1.6
71.04983	1.3
72.08154	2.0
72.99997	0.9
79.05492	4.4
80.04999	2.5
81.03437	1.7
81.07053	1.4
84.08123	1.7
86.09693	2.1
89.43093	1.0
91.05478	10.7
93.05788	4.0
93.07055	2.8
94.05947	1.0
94.06561	19.9
95.04955	4.6
96.04490	0.9
97.02879	1.3
97.06518	3.9
98.97581	1.9
103.05444	1.0
104.04971	5.0
105.03338	1.2
105.05814	1.4
105.07006	1.2
106.06490	1.0
109.02898	1.0
110.06077	4.4
112.07599	3.9
116.04972	3.3
117.03382	1.0
117.05795	1.4
117.06989	1.0
118.06539	100.0
119.04920	1.2
119.07343	19.2
119.34810	0.9
120.08105	9.6
121.02814	1.3
121.10151	1.1
122.06023	27.5
123.04436	2.3
124.07573	3.2
127.03877	0.9
130.06535	1.3
134.06018	2.1
134.07074	0.9
135.04405	1.7
136.07547	1.1
137.05951	2.2
140.07059	27.5
142.08640	3.6
143.08459	1.0
144.08139	2.0
145.10127	1.3
146.06007	36.1
146.09685	1.3
147.04356	0.9
147.05608	1.0
147.06793	24.9
148.07571	45.4
149.01228	1.6
149.02345	2.3
149.05905	1.3
153.01836	2.3
153.05473	1.7
156.08115	1.1
157.06438	1.3
158.09695	1.9
162.13686	1.0
163.03897	2.4
164.07079	7.6
170.09595	1.6
171.10461	2.7
174.05563	2.8
174.09097	2.3
175.03903	2.0
177.05516	1.7
181.06430	1.0
181.08858	2.7
183.10471	1.1
184.07600	1.2
185.05872	1.0
186.09120	1.8
186.12712	1.3
188.10693	2.6
189.11496	6.0
196.11188	2.4
197.10736	1.7
198.09225	1.7
198.12840	2.9
199.09940	4.2
200.10730	1.1
210.09053	1.4
211.09824	0.9
212.10805	1.3
213.05334	1.4
213.09978	1.4
213.13850	1.8
214.12263	13.3
216.13850	2.1
224.10669	3.7
226.12428	8.5
227.09412	1.7
228.12555	1.3
231.06590	1.2
237.05264	1.4
240.12683	1.3
241.13383	5.3
242.11778	40.2
243.12361	2.2
243.14920	47.5
252.10294	1.6
254.10524	2.0
255.06496	1.2
258.05081	1.1
259.06192	1.1
259.14481	4.6
269.08118	2.7
269.12836	30.7
270.11234	50.2
271.11691	1.5
287.05557	22.0
287.10172	7.1
287.13882	32.6
288.14371	1.0
305.15002	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	287.0914
Annotation	Homobutein
Peak:m/z	Relative Intensity
53.03942	1.1
55.05499	0.7
65.03924	0.6
67.01878	0.6
67.05492	0.8
68.99799	3.4
69.03414	0.5
69.07085	0.9
69.90876	2.6
79.05495	1.0
81.03414	8.5
81.07058	2.3
83.08649	0.5
84.65887	0.4
89.03911	5.2
91.05493	2.1
93.07039	1.9
95.04964	1.4
95.08614	1.1
96.02079	0.8
97.06514	0.7
98.21416	0.8
100.40295	0.5
105.07024	1.2
107.04948	2.1
107.08585	1.4
109.02853	1.1
109.06512	0.5
109.10173	0.6
111.04473	3.0
115.05473	0.7
117.03383	14.0
119.05009	0.5
119.08579	1.8
121.02873	0.9
121.06509	0.6
121.10107	0.7
123.04426	1.7
125.05978	1.0
127.03909	1.3
129.07060	0.5
131.08594	0.7
133.10115	1.3
134.03635	1.6
135.04430	6.5
135.08022	0.5
135.11678	0.7
136.05167	0.5
137.02339	100.0
137.05942	1.6
138.02768	0.5
141.07034	0.4
145.02844	23.3
145.10100	0.9
147.04422	0.6
147.11565	0.7
149.05981	5.7
150.03104	0.8
151.07474	0.5
153.01807	5.8
153.05478	2.8
153.06923	0.8
155.03394	4.1
157.06500	0.6
157.10104	1.1
159.11681	1.1
161.02383	0.7
161.13261	0.5
162.03172	1.0
163.03902	15.3
171.02898	1.0
177.05470	41.5
181.06467	2.5
185.05907	0.8
185.13278	0.7
186.05457	0.7
197.05975	0.6
199.07561	0.8
201.09116	0.6
208.96518	0.9
209.06036	1.3
213.05502	0.6
217.04895	0.5
217.08813	0.5
226.06198	1.0
229.15936	0.7
237.05499	1.6
241.04945	1.1
241.08614	1.7
254.05673	0.7
255.06509	1.2
257.04495	0.6
259.05865	0.7
259.09552	0.7
269.04779	0.9
269.08090	3.7
269.19083	1.0
271.05994	1.5
272.03546	0.5
272.06729	2.4
287.05511	67.7
287.09131	70.9
287.20078	2.2
287.23523	1.1
288.05792	1.5
288.09506	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Sainfuran
Peak:m/z	Relative Intensity
55.01854	1.5
55.05514	0.5
56.96572	0.6
65.03934	1.1
66.55228	0.5
67.01847	0.9
67.05497	1.1
68.99794	4.7
69.07068	0.7
69.74134	3.4
71.04962	0.5
79.05489	2.3
81.03426	1.0
81.07046	1.7
85.37169	0.5
89.03906	0.6
91.05479	8.4
93.07034	1.5
95.04951	2.0
95.08596	1.6
97.06496	0.6
103.05442	1.0
105.03384	2.0
105.07027	1.8
107.04951	16.8
107.08579	1.1
109.02859	0.9
109.06489	0.8
109.10186	0.9
111.00784	1.2
111.04409	1.0
117.03386	1.8
117.07000	0.8
119.04935	12.8
119.08547	1.4
121.02859	2.6
121.06501	0.8
121.10135	0.8
123.04408	2.2
128.06223	1.2
129.06989	1.4
131.04958	1.1
131.08578	1.1
133.02870	4.6
133.10153	1.4
134.03630	0.7
135.04419	21.0
137.02368	1.2
137.05978	6.5
138.03094	1.1
141.06972	1.3
143.08551	1.4
145.06520	0.6
145.10120	1.1
147.03224	0.8
147.04405	15.2
147.11665	0.9
148.05183	1.5
149.02328	1.1
149.05997	4.0
150.03117	28.8
151.03893	0.5
152.06187	1.7
153.01828	9.2
153.05524	4.1
153.06924	4.2
157.06509	3.1
157.10143	0.7
159.08101	1.2
159.11664	1.2
161.02298	1.5
162.03130	0.9
163.03906	62.4
165.01808	1.3
165.05479	32.3
165.06850	1.4
169.06581	0.5
170.07359	0.8
171.02911	1.2
171.04349	0.8
171.08041	3.2
173.05905	0.8
177.05461	4.5
178.02615	4.1
178.06126	0.6
179.03375	0.8
181.05013	1.1
181.06477	13.5
183.08028	0.8
184.05171	2.1
185.05980	3.1
185.09631	0.5
193.04964	43.9
195.08060	1.0
197.05960	0.9
198.06709	1.9
199.07535	8.3
201.05531	0.6
209.05998	8.2
210.06656	1.0
212.04634	0.9
213.05518	2.5
213.09160	1.3
213.16319	0.6
226.06244	2.9
227.07016	14.2
229.04979	1.5
237.05432	4.5
238.06277	1.3
239.41568	0.5
241.04953	2.3
241.08542	2.8
242.08388	0.5
254.05750	0.6
255.06514	20.0
256.07300	1.4
257.04520	5.0
258.05084	1.2
259.05560	1.2
259.09656	28.5
269.04797	0.7
269.08072	4.3
269.22656	0.6
272.06863	4.9
287.05472	100.0
287.09094	83.4
287.23618	2.2
288.05725	2.2
288.09265	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Vestitone
Peak:m/z	Relative Intensity
51.70483	0.1
53.58414	0.1
55.01865	0.1
55.05485	0.1
56.96547	0.4
65.03917	0.2
67.01866	1.4
68.99790	2.0
69.03430	0.3
69.07054	0.1
69.12128	0.1
69.62214	0.8
79.05492	0.5
81.03423	0.3
81.07052	0.3
85.02898	0.3
86.09731	0.2
89.03914	0.9
91.05492	1.4
93.07074	0.2
95.04955	0.4
97.02887	0.2
98.97549	0.2
98.98476	0.2
103.05486	0.2
105.03408	0.3
105.07015	0.2
107.04956	3.7
109.02877	0.2
109.10134	0.2
111.04436	0.3
115.05455	0.3
116.98637	0.2
117.03390	0.9
119.04943	2.0
119.08549	0.1
120.08120	0.2
121.02895	0.4
121.06489	0.1
123.04430	0.4
124.07646	0.2
125.02371	0.2
125.05986	0.1
127.04007	0.1
128.06255	0.4
129.01866	0.4
129.07001	0.4
133.02850	0.7
134.03636	0.3
135.04417	7.2
135.08028	0.2
136.07634	0.2
137.02356	1.8
137.05984	1.2
138.03119	0.2
139.05492	0.2
141.06996	0.2
143.08528	0.2
145.06499	0.2
147.04416	2.8
148.05186	0.2
149.02338	0.2
149.05972	0.8
150.03127	4.3
151.03931	0.1
152.06194	0.3
153.01833	11.1
153.05496	0.7
153.06967	0.7
154.07918	0.1
157.06520	0.7
159.08078	0.1
161.02324	1.5
161.05905	0.1
162.03151	0.2
162.05463	0.2
163.03912	10.6
163.07550	0.3
164.07129	0.2
165.05493	4.5
165.06865	0.2
167.08569	0.2
169.06419	0.1
171.02924	1.9
171.04411	0.3
171.08063	0.5
173.05960	0.1
175.07591	0.1
177.05460	0.9
177.06802	0.1
178.02632	0.4
179.03467	0.7
181.05000	0.3
181.06454	2.2
184.05220	0.5
185.05962	0.7
189.05437	0.1
193.04973	6.1
195.04445	0.1
195.08101	0.5
197.06061	0.3
198.06786	0.3
199.07567	1.0
201.05563	0.2
203.03456	0.2
209.06001	1.1
210.06799	0.2
212.04683	0.2
213.05490	0.9
213.09140	0.2
219.06540	0.2
223.07640	0.2
225.05573	0.1
226.06245	0.3
227.07025	2.6
227.10637	0.3
229.05014	0.3
231.06520	0.3
237.05466	0.9
238.06282	0.2
241.04993	1.7
241.08640	0.3
245.04584	0.2
254.05923	0.2
255.06531	3.1
255.09424	0.2
255.10422	0.2
256.07425	0.2
257.04504	0.6
258.05215	0.1
259.06018	0.3
259.09656	4.7
263.05533	0.2
269.04523	0.9
269.08054	0.7
269.12610	0.2
272.06821	0.7
287.05533	100.0
287.09058	11.7
288.05844	2.5
288.09015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Vestitone
Peak:m/z	Relative Intensity
51.67465	0.7
55.01865	1.4
55.05495	1.8
56.21562	0.6
56.96560	1.0
57.03415	0.7
65.03931	2.0
67.01855	2.1
67.05488	2.6
67.86559	0.7
68.99789	6.8
69.07059	1.1
69.56377	5.4
77.03921	1.1
79.05492	3.2
81.03408	1.7
81.07052	4.2
83.04964	0.7
83.08591	0.8
85.02905	0.8
89.03926	0.8
91.05479	14.2
93.07037	2.5
95.04961	2.2
95.08606	2.2
97.06527	1.4
98.98431	0.7
103.05422	0.8
105.03381	1.6
105.07038	3.1
107.04950	21.0
107.08605	2.0
109.02864	1.0
109.06502	1.7
109.10117	1.5
111.04463	1.4
117.03366	1.2
119.04944	16.1
119.08588	1.8
121.02849	2.0
121.06502	1.4
121.10131	1.4
123.04419	2.6
125.05998	0.9
128.06213	1.7
129.07008	2.1
131.04933	1.3
131.08510	1.2
133.02850	5.5
133.10124	1.7
134.03622	2.3
135.04419	24.2
135.11703	0.8
136.07567	1.5
137.02336	2.8
137.05981	7.6
137.13197	0.7
138.03078	3.9
139.03908	1.0
141.06976	1.5
143.08586	1.5
145.06473	0.9
145.10153	0.8
147.04410	21.9
147.11676	1.4
148.05176	2.5
149.05984	5.6
150.03123	34.8
152.06157	1.6
153.01846	10.3
153.04298	1.3
153.05458	14.3
153.06953	5.7
157.06491	3.9
157.10155	1.0
159.04349	0.7
159.08049	0.9
161.02328	2.0
162.03104	2.1
162.05553	1.0
163.03906	71.6
164.07030	0.9
165.05482	34.2
165.06865	1.5
167.03409	1.6
167.04927	1.0
167.08592	0.8
169.06508	1.6
170.07222	1.3
171.02887	2.3
171.08075	4.3
173.06007	1.2
177.05467	8.9
178.02631	3.7
178.06201	1.1
181.04942	1.6
181.06454	16.8
184.05202	1.9
185.05949	4.4
193.04967	52.4
195.07988	1.4
197.06020	1.2
198.06795	3.1
199.07542	11.1
201.05505	1.2
203.07008	1.1
209.06018	8.3
210.06721	0.9
212.04715	0.8
213.05511	2.5
213.09042	0.9
226.06329	4.1
227.07039	17.9
229.04979	2.1
237.05438	6.2
238.06198	0.9
239.03317	0.7
240.07692	0.9
241.04918	1.8
241.08493	3.1
244.03548	0.7
254.05736	1.6
255.06514	21.5
256.07239	1.7
257.04474	6.8
259.09662	34.8
269.04462	1.4
269.08084	6.7
269.18924	0.7
271.05978	0.9
272.06668	7.1
287.05484	93.5
287.09103	100.0
287.23529	3.1
288.05792	1.8
288.09332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.4
55.05513	1.2
56.05029	1.1
56.96568	1.8
57.03436	5.2
60.05668	0.9
61.02934	1.4
68.99799	1.2
69.03416	4.6
70.06590	5.2
70.62790	0.8
70.63139	2.9
71.01369	1.8
71.04987	1.0
72.08167	1.4
72.27917	0.8
73.02920	3.6
80.00143	0.9
81.03407	1.5
84.06407	1.0
84.08134	3.0
85.02894	5.4
87.04470	1.7
94.02922	4.1
95.04983	1.0
95.06059	1.1
97.02890	3.7
98.06059	1.1
98.98441	1.4
110.07166	6.2
111.07516	3.1
112.02089	1.0
115.03931	3.2
116.98653	1.4
119.02435	12.5
133.04968	6.5
134.99702	1.5
135.04413	2.3
137.02570	1.4
137.03461	72.7
138.01859	100.0
140.07028	1.0
140.85016	0.9
147.04478	1.7
149.02359	1.9
153.01813	1.2
155.04547	1.8
156.02910	58.9
161.01244	1.0
163.03944	4.8
163.12306	2.0
164.12657	3.2
173.07133	5.4
177.79755	1.0
186.07672	1.1
203.03473	1.1
204.02959	1.7
213.05515	1.1
222.03937	1.2
231.06409	1.6
237.64250	1.4
241.17778	1.0
245.04384	1.8
255.15343	1.9
259.07050	1.9
269.04861	1.8
269.07700	25.1
270.06067	35.2
287.05881	11.1
287.08698	2.8
287.11151	17.8
287.17993	5.8
288.07147	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	287.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40164	0.6
55.01878	5.5
56.05017	1.2
56.96557	1.9
57.03438	8.5
59.05001	1.1
59.18494	0.6
60.05643	1.3
61.02924	1.9
63.00047	0.6
63.51596	0.6
68.99785	0.9
69.03416	3.7
70.06593	7.7
70.41479	2.0
71.01351	1.9
73.02922	6.0
74.20296	0.6
79.05479	1.0
81.07033	0.7
83.04987	0.8
84.04489	1.1
84.08141	2.3
85.02908	6.6
87.04465	0.9
89.03900	1.0
91.05503	1.0
94.02921	4.5
95.08540	0.7
96.06841	0.9
97.02878	4.0
98.97623	0.8
103.03929	1.8
103.05461	0.7
109.02875	0.9
111.00809	2.1
112.07593	3.8
115.03945	4.3
116.07066	0.8
116.98621	1.0
119.02428	14.1
121.02869	0.9
123.04424	1.2
125.07114	1.6
133.04947	7.0
135.04393	1.6
137.03456	76.3
138.01857	100.0
140.07062	1.7
147.04398	1.1
148.03932	0.6
149.02287	1.1
150.05417	0.8
153.01833	1.0
155.04529	1.2
156.02910	63.9
161.01204	1.1
163.03912	3.6
163.06113	0.8
171.07664	1.8
175.04091	0.7
185.06021	0.7
195.07884	0.8
203.03445	1.6
204.02924	1.6
211.08191	3.9
213.03363	0.6
213.05415	1.9
224.08240	1.9
227.06955	1.2
231.06549	1.4
241.04788	0.7
245.04442	1.4
252.04971	0.8
259.05905	1.5
269.07678	24.9
269.15179	1.9
270.06085	35.4
271.71960	0.7
287.05780	10.5
287.08679	2.4
287.11197	12.3
287.16333	2.4
288.07135	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	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.72974	0.3
67.01864	2.4
68.99793	1.7
70.10238	1.1
73.19326	0.3
79.05499	0.3
89.03918	1.1
100.49918	0.2
107.04949	0.6
117.03371	0.9
119.53646	0.2
123.86660	0.2
129.01778	0.3
129.72298	0.2
135.04422	5.5
136.26419	0.3
137.02371	1.4
140.02147	0.2
148.31503	0.2
153.01828	13.6
161.02298	1.6
171.02988	1.5
171.04318	0.4
179.03419	0.5
185.06010	0.5
202.65492	0.3
203.03400	0.4
213.05489	0.8
227.03334	0.3
241.04976	1.7
269.04468	1.0
276.23557	0.2
287.05505	100.0
288.05746	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
55.91076	0.6
55.91357	0.8
56.05022	0.9
56.39033	0.5
56.96555	1.6
57.03440	8.5
59.04989	0.6
60.05645	1.7
61.02914	1.8
67.05489	0.6
68.99780	1.8
69.03432	4.0
69.07037	0.7
70.06590	10.2
71.01340	2.1
71.04984	1.1
71.23926	1.5
72.08147	0.8
73.02921	6.1
84.04510	0.9
84.08140	1.6
85.02909	7.3
86.09718	0.6
87.04469	1.4
94.02937	4.9
95.08612	0.7
96.06852	1.3
97.02894	3.7
97.06508	0.6
98.97599	1.2
100.18822	0.6
103.03916	0.7
104.72527	0.6
107.04973	1.0
111.00806	1.9
111.04417	0.8
111.05588	0.7
111.98735	0.6
112.07609	5.1
113.04570	0.8
113.06019	0.8
115.03927	3.8
116.07095	0.9
116.98615	1.3
119.02430	14.7
125.07088	1.4
133.04968	5.6
135.04425	0.7
135.05899	0.7
137.03462	69.8
138.01862	100.0
140.07051	2.6
143.00078	0.9
143.05586	0.9
147.04420	1.3
149.02364	0.8
150.05380	2.7
156.02916	58.3
161.01208	1.2
163.03946	4.8
163.06136	1.2
168.06461	0.8
171.07683	2.1
177.05554	0.9
178.08466	1.7
185.05978	1.0
186.07695	0.7
193.07204	1.6
203.03458	1.3
204.02943	2.1
211.08257	5.6
213.66078	0.6
224.08318	1.0
231.48384	0.7
245.04605	1.5
259.06125	0.6
269.07697	24.5
269.12189	1.0
269.15060	1.4
270.06082	31.0
287.05490	7.1
287.08636	3.2
287.11212	8.7
287.16183	2.0
288.07135	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	287.0551
Annotation	Kaempferol
Peak:m/z	Relative Intensity
55.01876	0.5
60.32575	0.1
67.01855	0.6
67.05492	0.3
68.99794	2.2
69.03435	0.4
69.07069	0.3
70.86384	0.6
72.88112	0.2
77.03956	0.2
79.05481	0.5
81.03400	0.2
81.07043	0.8
83.28909	0.2
89.03921	1.6
91.05473	0.4
93.07042	0.6
95.01354	0.4
95.04983	0.4
95.08601	0.4
97.02884	0.4
103.05464	0.4
105.03382	1.5
105.07030	0.7
107.04955	0.8
107.08607	0.4
109.06410	0.2
109.10179	0.3
111.00783	0.4
115.05460	0.7
117.03376	0.8
117.07040	0.5
119.08604	0.5
121.02863	0.6
121.06497	0.2
121.10108	0.4
123.00817	1.1
123.04463	0.4
128.06230	0.5
129.06998	1.0
131.04938	1.0
133.02916	0.2
135.04442	1.4
135.08101	0.4
135.11661	0.2
137.02330	0.6
139.05467	0.4
141.06992	0.5
143.04967	0.3
145.06506	0.6
145.10130	0.4
147.04419	0.5
147.11633	0.2
149.02332	2.8
149.13266	0.2
150.03029	0.2
151.03976	0.2
153.01828	16.0
153.05444	0.7
157.02870	0.5
157.06483	1.7
157.10065	0.2
159.11729	0.3
160.05174	0.2
161.02327	2.1
161.06010	0.4
163.03928	0.8
165.01834	0.2
169.06430	0.2
171.03000	0.4
171.04413	0.7
173.13240	0.2
175.03914	1.0
175.07545	0.5
185.05969	2.0
189.05460	0.5
191.03452	0.4
197.05937	0.9
199.03860	1.1
203.03403	0.5
203.07004	1.2
205.04968	0.2
209.04288	0.4
213.05472	6.5
216.04176	0.7
217.04970	1.0
223.02344	0.3
231.06523	5.4
231.08873	0.3
240.04173	0.2
241.04953	15.4
242.05443	0.3
257.50937	0.2
259.06064	1.2
259.09506	0.4
269.04456	6.6
269.22620	0.3
287.05502	100.0
287.23703	0.9
288.05807	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.82465	0.1
65.82690	0.1
67.01525	0.1
67.01864	1.6
68.99783	1.4
69.25630	0.4
69.26066	0.3
79.05486	0.3
81.03400	0.1
85.02953	0.1
89.03913	0.7
92.64613	0.1
97.02865	0.1
103.05450	0.1
105.03461	0.1
107.04967	0.4
109.02862	0.1
111.00803	0.3
111.04450	0.2
115.05480	0.1
117.03384	0.8
121.02864	0.3
122.39355	0.1
125.02373	0.1
127.03915	0.1
128.06270	0.1
129.01804	0.3
129.06985	0.1
135.04404	4.5
137.02322	1.3
137.03279	0.1
139.05431	0.1
143.04843	0.1
145.06474	0.1
147.04364	0.2
153.01819	10.8
154.02165	0.1
157.06508	0.3
161.02328	1.3
165.01912	0.2
169.06607	0.1
171.02908	1.4
171.04395	0.2
173.05943	0.1
179.03430	0.6
185.05963	0.4
187.04016	0.1
189.05519	0.1
199.03961	0.1
201.05481	0.1
203.03407	0.3
213.05399	0.6
218.05841	0.1
219.06564	0.1
227.03389	0.1
227.10545	0.1
231.06532	0.2
241.04926	1.5
245.04356	0.2
258.05240	0.1
259.06012	0.3
263.05548	0.2
269.04477	0.8
287.05475	100.0
288.05804	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01858	0.2
65.03944	0.2
67.01860	0.4
68.99425	0.2
68.99783	2.4
69.03408	0.3
79.05485	0.5
81.03407	0.3
81.07054	0.3
81.99972	0.1
85.02901	0.2
89.03891	0.2
91.05466	0.1
95.04949	0.4
98.38275	0.1
103.05445	0.3
105.03377	0.7
105.07055	0.3
107.04958	1.1
109.02856	0.9
111.00790	1.4
111.04431	0.6
115.05428	0.2
117.06995	0.2
119.04916	0.3
121.02858	5.6
127.03917	0.3
129.06995	0.4
133.02858	0.8
135.04457	0.9
137.02341	2.2
137.03307	0.3
141.06985	0.4
145.06474	0.5
147.04414	1.4
153.01820	11.3
157.06456	1.1
161.02345	0.3
161.05951	0.4
163.03831	0.1
165.01826	2.9
169.06541	0.2
171.02853	0.4
171.04404	0.8
173.05980	0.2
175.03949	0.2
177.05403	0.2
178.24193	0.2
183.02885	1.6
185.05937	1.0
189.05423	0.3
197.05930	0.4
199.03871	0.2
203.03394	0.2
203.07063	0.2
213.05429	3.3
216.04048	0.1
217.04764	0.2
227.10774	0.1
229.04950	0.3
231.06488	1.1
241.04953	1.6
243.06468	0.2
257.08044	0.2
258.05249	2.1
259.06006	0.7
263.05414	0.2
269.04565	0.5
269.08398	0.1
269.12805	0.6
287.05484	100.0
288.05856	2.9
308.86597	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61609	0.1
57.17760	0.1
64.17758	0.1
67.01872	1.4
68.99798	1.5
69.36147	0.9
75.10354	0.1
79.05476	0.2
89.03915	0.7
98.21546	0.2
107.04949	0.4
109.02876	0.2
111.00831	0.2
111.04437	0.2
117.03359	0.8
119.04894	0.2
123.20499	0.1
125.02354	0.1
127.52735	0.1
129.01846	0.3
135.04420	3.5
137.02347	1.5
139.05444	0.3
144.49399	0.1
147.04411	0.2
153.01834	10.0
157.06445	0.1
161.02332	1.3
164.07022	0.1
167.04935	0.1
171.02913	1.6
171.04422	0.3
179.03383	0.5
185.05949	0.3
203.03479	0.3
213.05457	0.5
219.06528	0.3
227.03392	0.1
241.04919	1.4
245.04547	0.2
259.06189	0.2
263.05548	0.2
269.04434	0.7
287.05502	100.0
288.05835	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01865	0.2
56.96582	0.1
61.50338	0.1
65.03929	0.3
67.01850	0.5
67.05507	0.1
68.99435	0.2
68.99789	2.2
69.03419	0.2
69.07054	0.2
69.42083	0.4
69.42496	0.6
71.01342	0.1
78.24435	0.1
79.05501	0.6
81.03402	0.3
81.07059	0.2
85.02880	0.2
89.03903	0.2
91.05481	0.3
93.07032	0.1
93.21188	0.1
95.04960	0.4
103.05480	0.2
105.03391	0.6
105.06977	0.1
107.04967	1.3
107.24466	0.1
109.02881	0.7
111.00813	1.3
111.04411	0.5
111.96581	0.1
115.05439	0.2
117.03383	0.2
117.07030	0.1
119.03564	0.1
119.04952	0.2
119.08649	0.2
121.02866	5.5
121.03894	0.2
121.06451	0.1
121.10115	0.1
123.04420	0.1
127.03938	0.1
129.06996	0.5
130.72783	0.1
133.02861	0.8
133.10190	0.1
135.04424	1.1
136.07570	0.5
137.02336	2.0
139.05421	0.1
141.06982	0.3
145.02847	0.2
145.06505	0.5
147.04410	1.4
153.01828	10.9
154.02150	0.1
157.06494	1.3
161.02330	0.4
161.05933	0.4
163.03908	0.2
164.07034	0.4
165.01846	2.9
167.59401	0.1
169.06436	0.2
171.02867	0.4
171.04411	0.6
173.05983	0.2
175.03856	0.2
175.07588	0.2
177.05502	0.3
179.03380	0.2
181.04938	0.1
183.02898	1.4
185.06001	1.0
189.05457	0.3
194.02065	0.1
197.05923	0.3
199.04027	0.1
201.05412	0.1
203.03423	0.2
203.07027	0.2
213.05482	2.8
216.04205	0.2
229.04987	0.3
231.06509	1.3
241.04927	1.7
245.04445	0.2
257.04608	0.1
258.05240	1.9
259.05972	0.9
269.04416	0.5
276.93744	0.1
286.04825	0.1
287.05493	100.0
288.05844	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	286.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.7
56.05050	0.8
56.29377	0.6
57.03421	1.1
58.51060	0.6
59.04992	2.7
61.02927	4.7
66.04738	0.7
68.05010	1.2
70.06597	8.8
70.84582	1.4
71.04993	4.7
79.05486	2.4
81.04536	0.9
81.07055	11.3
82.05323	2.1
83.06107	10.6
87.08118	0.8
93.04517	6.7
95.06096	14.5
107.06083	2.4
110.07166	100.0
111.05570	2.1
111.07570	0.8
112.07615	7.4
112.08727	2.2
119.06070	1.1
121.07640	1.2
140.07042	4.1
141.06599	0.6
156.02853	0.6
156.07690	11.2
163.12309	49.8
166.06125	2.1
185.09241	0.7
190.13408	8.1
193.13367	1.1
206.31219	0.7
208.14453	10.7
209.12883	1.0
210.15848	1.0
212.15158	0.7
219.11296	2.2
225.15921	0.7
236.13951	7.0
240.17064	8.2
254.15004	21.1
266.13754	0.6
286.17615	65.2
287.10968	2.1
287.17902	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64679	0.3
60.22436	0.4
60.67873	0.3
60.83875	0.3
62.85161	0.3
68.99775	1.4
69.07075	0.5
71.15535	0.8
79.05486	0.6
81.07043	0.4
85.02880	0.5
88.40624	0.4
91.05425	0.7
95.04932	0.5
96.91145	0.4
105.03391	0.5
107.04940	0.6
110.81422	0.4
131.08531	1.2
134.03661	0.5
135.04427	0.7
137.02338	0.7
141.06996	2.4
144.05673	0.5
145.06480	1.2
147.04378	0.7
150.03082	0.8
153.01808	1.5
153.06877	0.4
157.06479	0.5
159.08038	1.6
160.70601	0.4
161.02304	0.9
163.03859	1.2
165.05443	0.6
166.07230	0.4
169.06479	3.7
173.06012	3.0
177.05424	1.0
181.06444	0.6
183.04369	0.4
185.05925	1.2
187.07556	5.4
194.12485	0.6
197.05977	9.7
198.06444	1.3
200.04665	1.6
201.05486	1.0
203.07077	0.5
208.05090	0.5
211.03928	0.7
213.05402	0.5
215.07014	3.8
218.93059	0.4
224.15709	0.4
225.05452	8.1
226.05914	1.3
227.06898	0.5
228.04150	1.2
242.05792	0.5
243.06544	2.7
253.04958	8.4
254.05667	3.8
255.06413	1.0
259.09549	0.5
269.04370	0.4
270.04996	0.7
271.06009	100.0
272.06363	1.7
286.08319	64.3
287.02243	0.5
287.05478	9.4
287.08868	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	285.1849
Annotation	Methyltrienolone
Peak:m/z	Relative Intensity
53.03932	1.9
55.01870	2.9
55.05515	8.6
57.03423	3.5
57.07062	3.6
59.05007	1.4
62.58160	1.2
64.14635	1.1
66.40089	1.0
67.05192	1.6
67.05495	10.3
69.03431	2.4
69.07082	7.7
69.40366	2.9
69.40771	10.5
69.46674	1.1
71.05023	1.7
73.26161	1.1
73.61537	1.3
75.17135	1.4
79.05494	10.2
79.60669	1.1
81.03410	14.2
81.07057	10.0
83.04968	3.5
83.08177	1.4
83.08624	6.7
85.02893	3.6
89.67227	1.2
91.05483	14.5
92.48914	1.2
93.07042	11.4
95.04976	6.3
95.08611	16.5
95.82494	1.2
97.02882	2.7
97.06524	1.9
97.10184	1.5
98.21519	2.1
99.04487	1.1
103.05497	1.2
103.38937	1.3
105.07040	17.6
107.04943	1.8
107.08598	11.0
109.06519	3.3
109.10171	8.0
111.04429	2.7
111.08094	3.8
113.35273	1.2
115.05446	2.7
117.07040	7.4
119.08578	20.3
121.06516	3.4
121.10144	9.9
123.08064	1.8
123.11649	2.2
128.06236	3.6
129.07014	7.3
130.07819	2.6
131.08571	17.3
133.06480	1.7
133.10149	14.8
135.08073	4.0
135.11731	3.2
137.06049	1.3
137.09602	2.8
141.06973	5.4
142.07784	7.6
143.08560	12.8
144.09370	3.0
145.06538	2.3
145.10127	39.6
146.10861	1.4
147.08076	3.5
147.11700	7.4
149.09673	2.4
153.01868	1.8
153.06990	2.0
154.07761	2.2
155.08525	9.4
156.09373	11.7
157.10120	19.5
158.10941	4.4
159.08076	5.5
159.11702	15.5
161.05972	2.6
161.09647	4.2
161.13264	3.8
163.07497	1.5
163.11282	1.8
165.07129	2.4
165.09135	1.2
167.08578	3.7
168.09344	5.3
169.10123	14.3
170.10921	6.9
171.08025	2.4
171.11691	28.7
172.08788	2.4
172.12431	2.9
173.09648	11.0
173.13257	31.3
174.13693	1.7
175.07573	1.5
175.11200	7.1
175.14888	1.8
177.09087	3.9
179.08592	1.3
181.10152	5.2
182.10960	5.4
183.08064	2.3
183.11708	19.6
184.12373	2.3
185.09622	6.0
185.13257	11.8
186.10432	2.6
186.14032	13.0
187.07523	1.4
187.11185	9.6
187.14793	23.1
188.15587	16.1
189.09097	1.5
189.12810	2.2
191.10674	3.7
193.10477	2.2
193.12248	8.9
194.10951	2.3
195.08072	3.9
195.11717	6.4
196.08813	2.2
196.12498	3.9
197.09660	3.3
197.13246	20.0
198.13893	1.7
199.11186	14.5
199.14830	6.1
200.11938	1.4
201.09204	2.0
201.12729	9.6
203.10594	1.8
207.11731	5.0
209.09554	3.0
209.13225	7.7
210.10464	4.2
210.14050	4.8
211.11348	11.8
211.13222	3.0
211.14896	11.0
212.11813	1.4
212.15535	2.3
213.12755	5.0
213.16255	2.0
215.10667	3.8
215.14336	3.7
219.11687	2.3
221.05984	3.0
223.11285	1.5
224.11983	3.0
224.15584	5.4
225.05664	1.9
225.09175	2.2
225.12744	17.7
225.16406	4.3
227.10710	3.0
227.14380	6.8
229.04980	2.5
229.12259	10.3
237.12775	3.6
238.13535	1.3
239.14276	4.0
239.15483	1.3
239.17924	23.9
240.15947	1.5
240.18379	2.2
241.15906	2.0
241.19492	2.3
242.10864	1.3
242.13057	6.8
243.13792	15.7
243.17477	2.6
249.16501	2.3
253.04865	1.9
253.08534	3.8
257.04440	1.9
257.15253	2.1
257.19061	8.8
258.05225	19.4
259.55124	1.3
267.17523	21.0
269.04410	3.7
270.05225	3.1
285.07797	9.7
285.11438	5.0
285.18533	100.0
286.04724	17.3
286.19000	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.5
57.03437	19.7
57.07076	2.9
64.40601	1.4
67.02112	1.6
67.05176	2.6
67.05506	31.5
69.07069	21.4
69.28288	16.8
71.04985	7.3
78.54446	1.5
79.05488	15.9
81.03410	2.2
81.07058	100.0
83.04978	6.5
83.08607	8.3
85.02882	1.6
85.06544	5.4
91.05483	26.2
93.07053	13.0
95.04961	4.5
95.08601	24.2
97.06538	6.6
98.21531	3.3
99.08111	3.5
105.07027	33.5
107.08598	13.6
109.06525	5.9
109.10163	3.3
111.08121	1.9
113.05998	2.2
119.08588	26.9
121.10151	20.1
123.08041	3.0
123.11719	26.7
127.07610	2.2
129.06964	3.0
131.11954	1.6
133.10149	3.9
137.13286	2.6
147.11690	71.5
157.10135	3.0
165.12759	37.6
175.11122	3.0
183.13860	4.6
193.12251	4.4
229.14400	5.3
267.15933	3.0
285.16968	39.2
285.21951	3.2
285.29880	3.9
285.33383	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01858	2.7
55.05511	10.9
57.03441	13.9
58.78310	1.3
60.22815	1.1
67.05508	22.3
69.03427	3.1
69.07079	9.3
71.04996	6.2
71.27479	2.8
71.71435	1.1
73.94962	1.0
79.05498	16.7
81.03423	100.0
81.07060	47.9
83.04986	9.1
83.08624	23.5
83.94088	1.2
85.02917	8.9
85.06544	3.5
90.09487	1.1
91.05477	24.8
93.07050	13.4
93.31879	1.1
95.04967	26.2
95.08607	11.2
97.02874	1.5
97.06540	5.3
97.10152	1.4
99.08115	1.9
105.07034	27.3
107.04974	7.0
107.08614	9.2
109.06505	4.4
109.10169	2.1
111.04438	1.5
111.08082	11.0
113.05971	1.9
119.08587	20.0
121.06532	1.5
121.10147	12.1
123.08065	2.4
123.11717	10.7
129.06984	8.5
131.08597	8.8
133.06506	4.1
133.10175	5.7
135.08034	1.4
135.11613	1.2
137.06001	1.3
137.09656	1.5
142.07727	3.6
145.10106	3.0
147.08080	2.8
147.11697	31.0
149.09624	3.7
157.10121	11.1
165.07016	4.0
165.12755	12.8
165.27112	1.2
175.11200	13.4
193.06438	1.8
193.12254	50.0
197.05956	2.4
197.13380	1.3
210.06740	1.4
211.13240	13.1
211.14949	1.3
221.06087	1.6
225.05463	2.1
225.09137	3.5
229.14418	3.3
236.46867	1.4
239.07127	1.4
242.05803	1.2
253.04930	2.7
253.08568	6.0
267.15906	13.6
267.20822	1.5
269.04449	4.8
270.05167	5.1
285.07568	17.9
285.11340	6.2
285.16956	21.2
285.22083	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78289	0.6
53.03940	1.2
55.01859	2.2
55.05512	11.3
56.96557	1.3
57.03437	13.8
57.07069	1.5
59.04992	0.8
62.33947	0.7
65.03918	1.4
67.05505	21.2
68.99792	1.6
69.03444	1.5
69.06725	1.1
69.07069	13.0
69.73768	1.1
69.74187	3.2
71.04654	0.6
71.04988	4.8
76.22427	0.6
79.05489	12.7
81.03423	4.3
81.07057	58.9
83.04980	5.8
83.08625	6.3
84.09718	0.6
85.02902	2.6
85.06539	4.2
85.91295	0.7
87.01974	0.6
89.34001	0.6
91.05479	19.2
93.07040	8.4
95.04972	4.9
95.08604	13.3
97.02934	0.7
97.06534	5.4
97.10188	0.7
97.84351	0.6
98.20811	0.9
98.97563	0.7
99.04444	1.0
99.08072	2.7
101.05986	0.9
103.05470	0.8
105.03451	1.5
105.07031	23.4
107.04952	2.7
107.08587	10.5
109.06512	4.4
109.10162	3.5
111.04388	0.7
111.08100	1.5
113.05995	1.0
115.05428	1.7
116.06195	0.8
117.07013	1.9
118.04094	0.6
119.04926	1.2
119.08578	20.5
121.10136	12.6
123.04462	2.0
123.08076	2.7
123.11707	19.2
127.07532	1.6
129.07031	3.6
131.04927	1.0
131.08572	2.6
133.06453	1.0
133.10100	3.6
134.03603	1.1
134.99701	1.2
135.04443	2.9
137.06010	1.2
137.09587	0.9
137.13243	1.6
141.06984	2.8
142.07777	1.1
143.08525	1.3
145.06468	0.8
145.10149	3.5
146.03635	1.3
147.04448	1.2
147.11687	44.5
149.09627	0.9
151.03894	6.3
152.06236	1.0
153.07025	1.9
155.05054	0.7
155.08556	1.2
157.10155	4.3
158.07333	0.9
159.11755	1.0
161.02298	1.2
161.05965	5.3
163.03923	4.6
165.07022	6.7
165.12750	22.4
167.03403	1.9
167.07066	0.7
168.05693	3.0
169.06488	2.8
169.10139	1.4
171.04361	0.9
171.11734	1.4
173.13307	0.8
175.03911	1.4
175.11153	3.6
181.06439	1.9
182.07266	2.5
183.04520	1.0
183.08070	1.8
183.13829	2.4
185.05984	1.6
185.13283	0.9
186.06705	1.4
187.07495	0.7
193.06509	4.2
193.12239	3.2
196.05215	2.8
197.05978	8.6
197.09639	0.7
197.13327	0.8
198.06500	0.7
198.09181	0.6
200.04517	0.7
201.05490	0.8
201.09064	1.8
203.03423	1.3
209.05977	1.1
210.06778	3.9
211.07532	4.8
211.13335	1.8
211.15010	0.7
213.05508	2.3
214.06238	2.9
215.06848	1.5
221.06038	4.5
224.04712	3.8
224.08363	0.7
225.05487	12.2
225.09068	9.7
225.16583	0.8
227.06898	0.8
229.05064	0.9
229.08588	6.1
229.14308	4.4
237.05280	0.8
238.06270	1.8
239.06989	5.9
242.05766	5.5
243.06374	1.3
243.11330	1.6
253.04988	12.0
253.08621	15.1
254.05733	1.7
254.09406	0.9
257.04440	6.3
257.07974	3.8
267.06564	2.2
267.10281	0.7
267.15952	2.6
267.21072	0.8
269.04437	14.9
270.05228	16.7
270.08395	1.1
271.05902	1.8
285.07605	100.0
285.11166	10.8
285.16818	23.7
285.22153	3.2
285.29889	0.8
286.04916	1.0
286.07950	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.9
53.03946	1.9
55.01873	2.0
55.05510	16.5
57.03436	23.1
57.07077	1.5
59.04998	0.7
65.03930	1.0
67.05502	34.3
69.07068	20.8
70.89965	0.9
70.90327	2.2
71.04990	6.0
73.06559	1.2
79.05060	1.5
79.05492	19.6
81.03425	2.5
81.07056	100.0
83.04966	7.8
83.08614	11.0
85.02891	1.8
85.06547	6.3
91.05477	24.2
93.07045	14.0
95.04977	4.1
95.08604	20.4
97.06522	8.0
99.08095	4.8
101.06023	1.7
105.07032	36.5
106.07430	0.9
107.05000	1.2
107.08595	14.3
108.01936	0.7
109.06521	6.0
109.10163	2.5
111.08078	1.8
111.84152	0.7
112.22665	0.8
112.26634	0.7
113.06003	2.4
117.07001	0.9
119.08580	29.8
121.09482	0.5
121.10139	22.5
123.08083	5.0
123.11706	34.2
127.07584	3.3
129.07024	2.0
131.08559	1.6
133.10133	3.1
137.05956	1.0
137.09610	1.5
137.13208	3.4
141.09125	1.4
143.08542	0.8
145.10144	1.4
147.11684	78.8
148.11951	0.8
149.09674	1.2
156.04480	0.7
157.10173	4.0
161.05942	2.0
165.06978	2.4
165.12758	34.8
169.10121	0.8
175.11189	4.9
183.13789	3.2
193.06499	1.8
193.12228	2.6
197.06047	1.9
210.06758	1.2
211.13258	1.0
221.05991	1.1
225.05399	2.3
225.08981	3.6
229.14368	4.8
238.06296	1.0
242.05786	1.1
253.04875	1.5
253.08583	6.0
257.04507	1.9
267.15933	2.9
269.04453	2.4
270.05173	3.0
285.07544	15.4
285.11240	5.4
285.16940	43.6
285.22025	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03938	3.8
55.01863	4.6
55.05511	21.3
57.03187	2.9
57.03439	35.9
59.04987	2.6
66.20631	1.5
67.05505	33.6
67.34069	1.8
69.03413	5.2
69.07064	14.8
70.67341	1.9
70.67681	5.3
71.04981	7.3
79.05492	29.4
81.03417	100.0
81.07053	38.7
83.04987	14.0
83.08617	27.5
85.02904	64.1
85.06549	4.0
91.05478	34.0
93.07033	22.4
95.04967	36.6
95.08604	15.4
97.02895	7.1
97.06506	6.4
97.10157	4.6
105.07029	30.8
107.04944	5.5
107.08595	11.7
109.06512	6.7
109.10153	3.8
111.04437	2.5
111.08080	16.5
113.06003	4.0
117.07036	3.3
119.08577	22.3
121.06497	3.9
121.10153	15.7
123.08044	3.6
123.11705	4.2
125.09634	2.4
126.63772	1.7
129.07016	13.2
131.08556	12.8
133.06485	3.4
133.10129	10.8
134.03651	1.8
137.09586	2.4
142.07759	4.5
145.10095	4.6
147.08011	3.4
147.11690	25.2
148.77914	2.1
149.09618	7.9
153.40454	1.6
157.10138	17.0
161.02933	2.1
165.12740	6.5
175.11186	25.9
188.19199	1.8
193.12244	88.0
197.05992	2.7
203.61108	2.7
206.12610	2.0
211.13272	59.3
225.05533	2.4
229.14371	3.0
253.05151	2.1
253.08623	3.5
257.04477	3.0
267.15884	8.1
269.04416	6.0
270.05127	3.6
284.63406	1.8
285.07629	13.9
285.10461	3.1
285.16907	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01874	1.9
55.05514	13.4
56.96554	1.2
57.03439	16.7
57.07072	0.6
59.04996	1.0
65.03934	1.2
67.05507	26.6
68.99796	1.1
69.03416	1.5
69.07073	13.9
69.46046	5.6
71.04996	3.7
73.06570	0.7
73.96095	0.6
79.05501	14.7
81.03427	1.8
81.07063	75.5
83.04995	6.2
83.08630	6.9
85.02914	1.0
85.06549	4.9
87.04536	0.6
91.05486	21.5
93.07046	12.1
95.04977	3.7
95.07990	0.8
95.08608	17.0
97.06541	6.7
97.10177	0.8
99.04465	0.9
99.08111	3.4
101.06036	1.2
105.03400	0.9
105.07037	27.8
107.04955	1.3
107.08598	11.1
109.06522	7.1
109.10172	1.7
111.08068	1.2
113.05992	1.3
116.23891	0.7
117.07012	1.7
119.08587	22.8
121.10155	16.2
123.08076	4.4
123.11715	23.3
125.09682	0.9
127.07566	3.2
129.07018	2.5
131.08583	2.2
133.06477	0.9
133.10139	4.2
134.03638	3.7
137.02354	6.7
137.05884	0.7
137.13260	2.0
141.06993	2.3
141.09152	1.2
142.07788	1.1
145.10172	1.3
147.04382	1.1
147.11696	61.4
148.12047	1.3
149.09631	1.0
150.75835	0.6
155.16559	0.6
157.10121	4.6
161.05969	2.3
165.07019	1.7
165.12766	32.0
168.05696	0.7
169.06505	2.1
175.11198	5.1
181.06529	1.3
182.07236	0.9
183.13795	4.5
185.05989	0.8
186.06744	1.3
187.07451	0.8
193.06503	2.2
193.12247	4.0
196.05235	1.4
197.06023	6.3
198.09247	0.7
210.06770	1.4
210.43948	0.6
211.13293	1.1
213.05504	7.3
214.06261	4.5
215.06808	0.7
221.05978	2.1
224.04816	0.9
225.05486	11.0
225.09023	4.7
227.28317	0.7
229.04962	4.6
229.08684	1.9
229.14433	4.7
238.06221	0.9
239.07140	0.9
242.05743	2.9
243.11264	1.2
243.84363	0.6
253.04990	16.6
253.08621	7.3
257.04382	3.9
267.15836	2.9
269.04483	18.5
270.05243	30.6
271.05991	7.3
285.07602	100.0
285.11163	6.6
285.16925	35.4
285.22076	1.3
286.08099	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01859	2.2
55.05507	13.9
57.03185	1.7
57.03437	18.3
63.68242	1.4
67.05502	21.1
69.03430	1.8
69.07063	7.9
69.91994	8.7
71.04985	4.3
79.05493	20.8
80.25124	1.5
81.03419	100.0
81.07058	38.2
83.04990	7.7
83.08619	21.1
85.02896	15.0
85.06537	3.4
91.05485	26.1
93.07037	11.8
95.04967	29.2
95.08613	10.2
97.02877	3.8
97.06530	4.2
98.21503	2.3
99.08098	2.0
105.07026	21.9
107.04961	5.4
107.08572	7.5
109.06526	3.6
109.10143	2.1
111.08102	10.5
117.07009	2.0
119.08584	22.9
121.06505	2.1
121.10145	8.9
123.08052	2.1
123.11735	9.4
127.07582	1.5
129.06969	9.4
131.08539	7.2
133.06511	3.9
133.10112	6.5
137.09572	1.5
142.07823	2.2
147.08066	3.2
147.11696	29.5
149.09612	5.1
157.10132	12.6
165.12718	10.7
175.11208	14.0
175.21634	1.5
193.12239	49.4
211.13271	14.4
229.14413	2.9
267.15979	8.5
270.05258	1.9
285.07666	2.7
285.11310	2.4
285.16913	16.5
297.71231	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50630	1.3
52.36987	1.3
53.03935	3.6
55.01862	3.5
55.05273	1.9
55.05516	23.9
56.96554	2.4
57.03438	31.8
57.07064	2.2
63.00032	2.0
65.03925	1.7
65.30140	1.4
67.05507	47.8
68.99778	2.5
69.03419	3.6
69.06732	1.5
69.07073	20.9
69.44150	1.2
71.04998	12.4
71.60642	1.9
73.06541	1.6
78.10281	1.2
79.05063	2.2
79.05494	27.3
81.03419	34.7
81.07059	100.0
83.04986	12.8
83.08624	21.3
85.02512	0.9
85.02908	32.1
85.06538	5.8
91.05484	38.4
93.07046	23.8
95.04973	24.0
95.08610	29.0
97.02904	2.2
97.06543	11.0
97.10188	3.7
98.98466	1.5
99.08099	3.7
103.05497	1.6
105.07038	51.3
105.18500	1.4
107.04975	4.5
107.08604	17.3
109.06502	10.7
109.10180	7.0
111.04448	2.5
111.08094	9.0
113.06009	5.0
115.05455	2.5
115.29040	1.3
117.07016	1.7
119.05015	2.7
119.08582	35.6
121.06461	2.3
121.10146	25.4
123.04452	1.6
123.08070	6.5
123.11707	28.4
127.07592	2.7
128.06184	1.7
129.07019	10.1
131.08575	11.8
133.06470	1.8
133.10146	11.1
135.04424	1.4
135.08083	1.8
137.02390	3.2
137.06041	1.6
137.09555	1.8
137.13272	3.1
141.07001	4.9
141.09108	1.4
142.07777	3.0
142.69759	1.5
143.08569	2.3
145.10115	7.5
146.03683	1.7
147.08031	2.1
147.11691	74.7
149.09651	4.9
151.11220	1.6
153.06880	1.6
155.08583	3.1
157.10129	12.3
159.08115	1.6
159.11664	1.7
159.23746	1.3
161.05977	7.9
161.13322	1.4
163.03923	2.0
165.07005	12.8
165.12767	38.8
167.03432	2.9
167.07042	1.5
168.05721	4.3
169.06494	4.4
173.09660	1.6
175.11191	16.8
181.06535	3.9
182.07300	3.4
183.08102	1.3
183.11690	1.6
183.13895	2.9
185.06062	3.0
185.13295	1.9
186.06833	2.4
187.07527	1.3
193.06509	6.7
193.12251	38.1
194.07289	1.6
195.08008	1.5
197.05971	12.6
197.13295	2.0
209.05989	1.7
210.06779	8.7
211.07487	3.5
211.13292	28.9
213.05379	2.5
214.06241	2.6
221.06036	8.5
225.05499	16.5
225.09076	15.8
226.06201	1.9
227.14250	1.8
229.04976	1.9
229.08551	11.3
229.14386	9.8
238.06285	2.1
239.07117	4.4
242.05783	5.3
243.06429	2.0
243.11292	2.3
253.04878	11.8
253.08600	26.9
254.05684	2.8
254.09219	1.6
257.04440	7.5
257.08157	5.7
267.06625	2.2
267.16089	5.1
267.21033	2.2
269.04437	18.6
270.05237	16.9
271.06110	2.8
285.07635	98.2
285.11282	17.1
285.16858	50.3
285.22275	5.9
285.29886	1.6
286.05096	1.9
286.08069	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67584	0.7
53.03940	0.9
55.01869	2.0
55.05259	1.1
55.05507	12.1
57.03434	14.8
57.07053	0.8
59.04990	0.7
65.03922	1.2
67.05504	22.6
69.06716	1.1
69.07065	13.8
69.34956	7.7
71.04993	3.9
73.06535	0.9
77.34466	0.7
79.05064	1.0
79.05494	16.0
79.61833	0.7
79.70636	0.6
81.03403	2.8
81.07055	71.2
83.04984	6.8
83.08624	8.3
85.02888	2.2
85.06554	4.3
91.05475	19.4
93.07031	9.8
95.04977	5.1
95.08602	14.7
97.06526	5.4
99.08076	2.8
101.06019	1.2
102.20398	0.7
105.07026	27.8
107.04925	1.1
107.08593	9.7
109.06500	5.0
109.10148	1.9
111.08098	1.7
111.15840	0.9
113.05991	1.5
115.05437	0.9
117.07007	1.6
119.08578	21.0
121.10137	11.8
123.04400	1.2
123.08064	4.5
123.11697	21.8
127.07552	2.9
129.07034	2.0
131.08583	2.1
133.06480	0.8
133.10126	2.9
134.03613	1.3
135.11745	1.0
137.09572	0.7
137.13220	1.0
141.06969	0.9
142.07750	1.0
145.10109	1.0
147.11687	49.4
149.09608	1.2
157.10121	3.0
161.05983	2.0
165.06984	2.3
165.12758	24.3
167.03307	0.7
168.05618	0.9
169.06429	1.6
173.13373	0.8
175.11131	4.2
183.13776	3.0
185.05952	2.0
193.06528	1.4
193.12212	3.5
196.05278	0.8
197.05939	3.5
200.04665	0.9
210.06729	2.4
211.13310	2.6
213.05476	1.3
214.06364	0.9
221.06065	2.9
225.05513	4.3
225.09111	4.7
229.08702	0.7
229.14371	2.8
239.07196	1.1
242.05745	12.6
243.06276	0.9
253.05046	4.3
253.08582	7.5
257.07907	0.7
267.15976	1.8
269.04443	33.3
270.05200	45.8
271.05942	11.7
285.07584	100.0
285.11066	4.5
285.16916	27.3
285.22018	1.7
286.08160	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
54.29879	1.0
55.01863	4.0
55.05507	11.3
57.03438	13.1
67.05505	19.5
69.03413	3.6
69.07077	6.7
69.15102	0.9
69.60578	8.3
70.47083	1.0
71.04988	3.7
79.05492	15.7
81.03419	100.0
81.07056	16.7
83.04980	8.3
83.08619	26.5
85.02432	1.3
85.02908	18.4
85.06541	1.8
91.05480	18.8
93.07057	12.7
95.04361	1.7
95.04967	29.2
95.08628	6.4
97.02907	2.7
97.06516	3.0
97.10170	1.8
101.06039	1.1
105.07031	13.5
107.03317	1.1
107.04974	5.2
107.08594	4.0
109.06523	5.3
111.04444	2.1
111.08084	13.0
113.05981	1.9
115.05454	2.6
119.04951	2.3
119.08579	13.1
121.06499	2.3
121.10159	7.0
123.08092	1.6
123.11694	2.1
125.09663	1.1
128.06146	1.3
129.07011	9.6
131.08580	10.2
133.06473	3.1
133.10123	6.0
133.58580	1.1
137.09622	2.2
142.07773	3.0
144.19171	1.3
145.10117	2.4
147.08044	2.8
147.11697	13.5
149.09651	6.4
157.10121	14.0
165.07030	1.9
165.12770	3.5
169.60760	1.0
175.11191	16.7
177.01602	1.0
182.07224	1.3
193.12247	57.1
194.12714	1.2
211.13286	17.9
212.43686	1.2
221.05922	1.3
225.09160	2.7
229.14371	2.0
250.07237	1.1
253.04890	1.3
253.08562	3.5
257.04581	1.7
267.15872	10.9
269.30173	1.3
285.04251	1.3
285.07581	4.7
285.11221	3.8
285.16846	11.9
285.21933	1.6
286.04749	1.9
305.53503	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31444	3.5
53.03939	5.9
55.01851	7.6
55.05512	32.2
57.03439	55.4
57.07067	10.6
67.05507	55.0
69.03432	4.8
69.07058	15.5
71.04990	11.7
71.59927	4.0
71.60323	5.0
79.05492	48.4
81.03421	93.4
81.07054	73.5
83.04977	26.4
83.08611	41.8
85.02434	6.5
85.02907	93.8
87.04474	4.2
91.05474	60.0
93.07044	29.5
95.04967	45.4
95.08607	27.2
97.02879	5.6
97.06532	10.8
97.10165	4.5
105.07032	47.9
107.04974	4.7
107.08580	17.9
109.06512	12.9
109.10131	10.7
111.04479	7.2
111.08069	23.4
113.06003	7.1
117.06986	5.6
119.08591	33.2
121.10169	23.4
123.08023	5.1
123.11742	5.1
126.60435	4.0
129.07013	18.9
131.08571	19.3
133.06450	6.4
133.10141	20.6
137.09570	4.8
142.07741	4.0
142.09419	4.0
145.10178	4.4
147.11665	30.4
148.55531	4.2
149.09581	12.3
157.10112	28.3
165.12715	9.6
169.73120	3.3
171.01465	7.2
175.11203	35.6
179.26791	4.0
193.10464	5.7
193.12233	100.0
211.13306	71.3
267.21210	5.3
277.80258	4.6
285.07578	13.4
285.16943	64.5
285.22076	10.1
285.29974	6.4
285.33444	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01867	5.6
55.05270	1.8
55.05515	22.9
56.96570	1.5
57.03439	37.9
59.04990	1.7
61.02921	1.6
63.00042	2.1
65.03947	2.0
66.69853	1.2
67.05177	2.4
67.05507	33.4
68.99773	1.9
69.03433	7.7
69.07072	14.6
69.94972	5.3
69.95387	2.4
71.01360	1.5
71.05000	8.8
73.02900	2.4
79.05497	33.4
79.96085	1.5
80.93369	1.4
81.03422	100.0
81.07059	45.2
83.04986	14.5
83.08630	31.8
84.30257	1.2
85.02909	59.4
85.06532	2.9
91.05483	33.6
91.35954	1.6
93.07052	21.5
95.04976	41.7
95.08602	16.0
97.02879	5.9
97.06522	5.9
97.10197	2.8
105.07031	28.7
105.07690	2.3
107.04966	8.1
107.08593	15.3
109.06512	9.4
109.10147	5.2
111.04451	2.8
111.08102	15.8
113.05996	5.2
115.05462	3.4
117.07032	3.7
119.08587	28.3
121.06500	1.7
121.10134	14.5
123.04479	2.5
123.08059	4.1
123.11699	4.6
125.09624	2.8
129.07008	10.8
131.08563	15.9
133.03481	4.6
133.06511	3.4
133.10138	10.5
135.11681	1.5
137.09584	2.6
141.07005	3.9
142.07764	3.5
145.10120	3.5
147.08063	2.9
147.11684	28.1
149.09641	9.0
151.04553	3.2
151.11176	1.7
157.06497	2.8
157.10141	17.8
159.11694	1.7
161.02974	1.9
161.06017	3.7
165.07030	4.5
165.12799	10.0
167.03426	3.8
169.06453	2.5
173.05949	1.8
175.11197	27.2
179.08667	1.9
181.06587	1.5
183.11678	1.4
183.13921	1.6
185.05965	3.1
185.25026	1.4
186.06816	2.7
188.67209	1.3
193.06502	3.0
193.12256	88.6
194.12563	1.8
196.05138	1.6
197.05939	6.9
200.04654	2.3
201.05943	1.6
210.06721	2.7
211.07649	2.5
211.13300	56.3
211.15297	2.9
213.05504	2.2
213.12401	1.6
214.06192	2.1
221.06065	3.3
224.04726	2.0
225.05469	10.1
225.09097	5.5
228.04167	4.1
229.05112	1.8
229.10210	2.5
229.14322	1.7
229.60167	2.0
236.10727	4.0
242.05782	5.4
243.06570	6.0
253.04982	10.1
253.08612	9.6
254.05872	2.3
257.04422	4.9
257.08078	2.6
257.12326	1.7
258.04935	1.8
267.15881	7.1
269.04474	28.1
270.05246	31.7
271.05948	12.9
271.14267	2.0
285.07602	89.9
285.11121	5.5
285.16928	54.6
285.22162	3.7
286.04926	2.1
286.08298	13.5
286.17438	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.3
55.01869	8.2
55.05513	36.7
57.03187	7.1
57.03440	76.9
59.74933	3.4
65.03938	3.9
67.05510	53.1
69.03431	13.4
69.07063	17.8
71.04992	12.5
72.22150	3.4
74.62778	3.4
79.05500	54.7
81.03419	100.0
81.07053	70.1
83.04991	24.3
83.08616	38.4
85.02906	99.1
85.06516	7.9
91.05479	73.1
93.07047	37.7
95.04966	56.0
95.08611	37.2
97.02898	9.2
97.06554	12.1
97.10165	5.9
99.08128	4.0
105.07026	60.9
107.04961	13.5
107.08598	24.7
109.06512	10.6
109.10155	11.0
111.04459	9.5
111.08086	22.0
113.05978	8.2
115.05457	5.0
116.40191	4.2
117.07025	7.2
119.08578	63.0
120.69713	3.8
121.06541	5.0
121.10153	32.4
123.08046	11.2
123.11722	9.7
128.06149	4.4
129.07018	22.0
131.08566	38.8
133.06485	5.5
133.10124	31.9
141.07005	6.7
142.07736	11.8
143.08557	10.7
145.10144	39.0
147.08064	14.7
147.11705	36.2
149.09619	16.3
154.07843	4.0
155.08585	6.8
156.09337	12.8
157.10144	43.8
158.10782	5.6
159.08073	7.6
159.11699	25.4
161.05984	6.4
161.09662	4.7
161.13264	5.4
163.11220	5.2
165.06989	10.7
165.12756	13.4
168.61490	5.6
169.10149	11.6
170.10852	4.9
171.11662	32.9
173.09628	15.9
173.13280	43.0
173.76865	4.1
175.11174	34.4
181.10178	4.9
183.11678	16.5
185.09636	4.8
185.13272	12.5
186.14017	16.0
187.11224	8.7
187.14845	20.7
188.15599	23.7
191.10693	8.4
193.12250	97.6
195.11737	5.7
197.06055	4.9
197.13275	18.4
199.11154	4.9
201.12747	10.9
209.13219	5.1
210.06754	4.6
211.11313	7.4
211.13289	54.3
211.14961	7.7
215.10767	5.1
221.06104	4.9
224.15601	5.5
225.05402	4.2
225.09131	6.9
225.12822	16.9
227.14337	4.8
229.04990	5.8
229.12244	8.6
229.52583	4.4
239.14333	4.6
239.18047	24.5
241.19339	6.0
243.13727	9.3
253.04779	7.1
253.08554	20.6
257.08206	4.7
257.15457	4.0
257.19037	10.9
258.05319	20.9
267.17749	21.4
269.04492	6.8
270.05151	10.0
285.04233	6.2
285.07568	36.7
285.11264	21.0
285.17282	46.0
285.18436	60.9
286.04871	22.2
286.07611	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.7
53.72294	1.5
55.01858	4.4
55.05268	1.7
55.05514	27.3
56.96569	1.8
57.03440	46.0
65.03934	2.5
67.05507	43.4
67.05871	2.4
68.99781	3.1
69.03411	5.4
69.07068	11.3
69.59759	9.0
70.06564	1.2
71.01337	1.2
71.04996	10.5
73.02917	2.3
79.05495	41.9
81.03418	100.0
81.06584	2.2
81.07057	50.8
83.04980	23.0
83.08619	35.7
85.02904	79.0
85.06535	3.6
91.05481	57.0
93.07043	28.8
95.04968	43.4
95.08607	19.7
97.02890	6.3
97.06524	7.3
97.10150	3.4
98.21481	2.9
99.04398	1.6
99.08062	1.8
105.07032	37.6
107.04968	10.6
107.08601	13.5
109.06519	9.1
109.10144	5.8
109.83825	1.2
111.04424	4.0
111.07365	1.7
111.08088	20.3
113.06004	7.2
114.74712	1.4
115.05463	2.4
117.06950	2.1
119.04919	3.1
119.07805	2.1
119.08587	28.9
121.02883	1.8
121.06511	4.1
121.10134	15.8
123.08058	4.1
123.11689	3.0
125.05915	1.6
125.09617	2.1
127.07562	2.8
129.07010	18.5
131.08575	16.4
132.78716	1.4
133.06480	5.1
133.10136	19.7
134.03673	3.4
137.09583	4.1
139.00262	3.4
141.06929	3.3
142.07755	4.3
145.10104	3.7
147.04454	2.6
147.08054	5.7
147.11699	27.8
149.09622	9.5
153.06979	1.3
157.10110	24.9
161.05983	3.3
163.11188	1.8
165.06956	4.3
165.12735	6.5
169.06412	1.4
175.11185	24.5
181.06403	2.1
182.07220	1.3
193.06494	1.6
193.12244	82.0
197.05974	3.9
210.06792	3.5
211.07474	2.2
211.13289	51.7
214.06169	1.9
221.06090	3.0
225.05511	3.7
225.09053	9.7
238.06421	1.8
242.05733	1.8
253.04889	3.6
253.08592	11.3
254.09323	1.6
256.08521	1.6
256.11752	1.6
257.04327	7.9
267.15817	7.0
269.04520	1.8
270.05185	4.6
270.08673	1.6
271.06067	2.5
285.03961	5.9
285.07587	14.5
285.11346	9.9
285.16940	59.4
285.22052	3.1
286.04861	1.9
286.08286	4.1
300.50424	1.5
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
53.03948	3.5
55.01870	1.9
55.05509	11.5
56.96564	1.9
57.03439	13.0
63.00033	1.4
67.05504	14.6
69.03432	4.0
69.07059	5.1
69.07408	1.1
69.48166	7.9
69.48586	2.7
70.06576	1.0
71.04984	4.0
72.08133	1.1
75.04408	1.1
79.05491	16.8
81.03416	100.0
81.07051	19.8
83.04976	8.1
83.08617	20.1
85.02905	16.6
91.05481	17.2
93.07034	13.1
95.04970	26.0
95.08591	7.7
97.02889	3.8
97.06514	2.0
97.10206	1.3
100.11220	1.1
105.07031	15.2
107.04953	6.8
107.08597	4.7
109.06525	3.5
109.10162	2.0
111.04446	2.5
111.08073	8.9
113.06018	1.1
115.05459	2.5
117.36054	1.1
119.04967	1.3
119.08580	14.2
121.06503	3.0
121.10146	8.9
123.08042	1.6
128.06261	1.4
129.06992	9.0
131.08556	8.1
133.06525	3.0
133.10132	4.6
134.99701	1.4
137.09540	1.4
142.07780	3.7
145.10136	3.1
147.07953	2.3
147.11693	9.3
149.09613	4.3
151.03899	1.3
157.06549	1.1
157.10114	10.8
161.05972	4.7
165.01833	1.3
165.07034	1.9
165.12785	2.1
175.11185	12.0
179.47220	1.1
180.06549	1.5
183.08081	1.0
193.06461	3.2
193.12231	46.2
201.05521	1.7
203.03485	2.4
210.06836	2.0
211.07594	1.3
211.11153	2.1
211.13242	15.2
221.05771	3.7
225.09134	5.0
229.04996	5.3
229.08615	3.5
229.14558	1.1
253.04945	2.1
253.08627	8.3
257.04456	16.3
257.07285	1.3
257.08170	1.1
258.05219	2.0
259.08673	1.6
267.15811	10.2
285.03949	13.6
285.07523	6.9
285.11362	8.8
285.16882	8.1
285.21921	1.5
286.04727	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	Oxoflaccidin
Peak:m/z	Relative Intensity
53.03943	0.4
55.01871	0.7
55.05503	2.6
55.71696	0.3
55.73042	0.3
56.96567	0.9
57.03438	2.9
57.07061	1.0
61.22404	0.5
63.00028	0.9
65.03934	0.7
67.05505	4.2
67.49428	0.4
68.99792	2.4
69.03412	0.9
69.07064	2.7
70.06609	0.5
71.04976	1.0
71.61211	0.7
73.90269	0.4
74.32175	0.4
79.05492	3.9
81.03418	5.1
81.07059	8.4
83.04962	1.5
83.08610	3.1
84.82001	0.4
85.02473	0.6
85.02906	4.5
85.06541	0.6
85.61215	0.4
91.05471	4.7
93.07030	3.0
95.04989	3.4
95.08602	3.3
97.06536	1.0
98.98435	0.5
103.05370	0.4
105.07037	4.1
107.04939	1.9
107.08617	2.7
108.12262	0.5
109.06509	1.2
109.10136	1.2
111.04417	0.5
111.08069	1.2
113.05995	0.5
115.05450	1.7
117.07040	1.2
119.04912	0.5
119.08586	3.8
121.06474	0.5
121.10133	2.2
123.04462	0.6
123.08066	0.8
123.11707	1.6
125.00001	0.4
129.06993	1.6
131.04951	0.6
131.08574	1.8
133.06465	0.7
133.10161	1.3
134.03639	1.1
137.02251	0.5
137.05975	2.1
141.07010	2.6
143.08586	0.8
144.05684	1.0
145.06493	1.4
145.10101	1.1
146.03586	0.4
147.04398	2.5
147.08122	0.6
147.11688	3.4
148.05127	0.4
149.02368	0.6
149.05989	0.5
149.09621	1.1
151.11133	0.4
153.06993	0.9
157.06438	0.6
157.10089	1.5
158.07237	0.6
159.08084	0.6
159.11739	0.6
160.05257	0.9
161.05984	1.7
165.07030	2.1
165.12772	1.7
167.03468	1.1
167.08623	0.4
168.05737	1.8
169.06503	3.6
169.10063	0.6
171.04417	0.7
171.11635	0.5
172.05180	4.1
173.05992	4.1
173.13266	0.7
174.06709	1.1
175.11205	1.6
181.06508	1.0
182.07214	0.7
183.04483	0.5
183.08109	0.5
185.05977	4.4
186.06775	3.5
187.07538	1.0
187.62195	0.4
193.06560	1.4
193.12210	3.8
196.05257	1.4
197.05983	14.7
198.06697	0.8
199.07484	0.7
200.04678	3.8
201.05475	8.1
210.06778	1.7
211.04089	0.5
211.07530	1.4
211.13243	3.7
211.14911	0.6
213.05504	6.3
214.06224	3.3
215.06978	1.1
221.05997	1.6
224.04610	2.2
225.05496	8.1
225.08969	3.4
225.12747	0.4
226.06198	2.2
227.06975	0.7
228.04120	1.0
229.08612	5.7
239.07076	1.1
241.04984	2.0
242.05746	9.6
243.06570	0.9
243.11253	1.3
252.04193	1.5
253.04965	10.1
253.08611	5.1
254.05736	2.9
257.04575	2.5
257.08084	4.6
267.06461	0.8
267.17859	0.5
267.20956	0.5
269.04419	5.0
270.05240	28.3
271.05890	1.7
285.07581	100.0
285.17087	3.1
285.22098	1.1
285.25143	0.6
285.29816	0.7
286.08060	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Acacetin
Peak:m/z	Relative Intensity
52.43056	0.2
53.03940	0.4
55.01860	0.4
55.05505	0.4
57.03432	0.7
62.40824	0.2
65.03912	0.3
67.05489	0.8
67.42136	0.2
69.07046	0.6
69.97791	0.9
79.05499	1.0
81.03402	0.7
81.07047	2.1
83.04965	0.3
83.08610	0.5
85.02908	0.3
89.03898	0.5
89.44016	0.2
91.05465	1.0
93.03400	0.4
93.07018	0.3
95.04945	1.5
95.08585	0.6
96.37877	0.2
97.06537	0.2
105.03371	1.4
105.07050	1.2
107.04974	1.0
107.08579	0.4
108.02145	0.3
109.06536	0.2
109.10115	0.2
115.05469	0.3
116.49506	0.2
117.03350	0.2
119.08562	1.2
121.10120	0.5
123.04459	1.3
123.11689	0.6
129.06947	0.3
131.08566	0.4
133.02798	0.2
133.10071	0.3
134.03656	0.3
135.04402	1.5
137.02390	0.2
141.06950	0.2
143.08563	0.4
145.06532	0.2
147.11667	1.5
149.02344	0.2
151.03899	10.3
152.06169	0.6
153.07013	0.8
158.07210	1.0
159.08064	0.3
161.02332	1.9
161.05983	0.5
163.03952	0.3
165.06985	0.7
165.12752	0.9
167.08592	0.2
168.05696	2.5
169.06409	0.4
171.11673	0.3
171.82164	0.2
173.09616	0.4
175.11229	0.3
176.94836	0.2
180.05803	0.4
181.06433	0.4
183.08044	2.8
186.06699	1.1
187.07509	0.3
193.06548	0.2
195.08026	0.5
196.05190	3.8
197.05923	0.7
198.06731	0.4
200.84811	0.2
201.07388	0.3
201.09088	1.6
203.07011	0.5
207.06517	0.3
211.07535	4.9
213.05525	0.3
214.06248	1.8
215.06931	1.0
224.04681	4.3
225.05403	0.6
225.09120	0.5
227.06996	0.3
228.49860	0.2
229.08588	10.2
237.49881	0.2
238.06239	0.4
239.07022	8.4
242.05705	3.9
243.06303	0.3
251.36098	0.2
252.04156	1.4
253.04939	0.6
253.08687	1.0
257.04376	0.5
257.08206	1.3
267.06451	3.0
269.04459	0.4
270.05173	1.6
285.07559	100.0
286.07935	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
53.03936	0.2
55.05491	0.5
57.03414	0.7
67.05476	0.8
68.99766	0.2
69.03387	0.2
69.07056	0.3
79.05498	0.9
81.02984	0.3
81.03415	3.2
81.07055	1.5
83.04947	0.3
83.08595	0.8
85.02894	0.8
91.05453	0.8
93.07034	0.6
95.04964	1.3
95.08611	0.4
97.02874	0.2
97.06513	0.2
98.21470	0.4
99.08122	0.2
102.50797	0.2
105.07013	0.6
107.04935	0.2
107.08578	0.6
109.19820	0.2
111.08070	0.4
117.06972	0.2
119.08607	0.9
121.10142	0.4
123.04420	0.6
123.11704	0.4
128.06216	0.3
129.06998	0.5
129.33945	0.2
131.08536	0.4
133.10155	0.3
133.96556	0.2
134.03641	0.9
141.07002	0.4
143.08614	0.3
145.10101	0.4
147.04379	0.7
147.11691	1.0
157.10104	0.7
158.07265	0.3
159.11700	0.3
161.06006	0.4
165.06976	0.5
165.12727	0.2
168.05698	0.6
169.06467	0.7
171.04449	0.3
171.11684	0.2
172.05202	0.2
173.13199	0.2
175.11205	0.7
176.83447	0.2
182.07156	0.2
185.05980	1.5
186.06760	1.1
193.06473	0.3
193.12250	2.1
196.05202	0.7
197.05983	3.1
197.13120	0.2
209.13307	0.2
210.06738	0.2
211.07434	0.3
211.13309	0.6
213.05479	1.1
214.06239	0.8
221.06029	0.2
224.04684	0.7
225.05486	2.4
225.09123	0.5
228.04227	0.5
229.08606	0.8
239.06863	0.5
241.05049	0.6
242.05716	2.6
252.04272	0.4
253.04932	2.8
253.08562	1.1
254.05675	0.4
255.06593	0.3
257.08051	0.7
267.15994	0.3
269.04446	47.4
270.05219	42.4
271.05560	0.7
285.07571	100.0
286.07898	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	285.0757
Annotation	Isooxoflaccidin
Peak:m/z	Relative Intensity
55.01835	0.4
55.05467	1.3
56.96544	0.3
57.03392	1.4
65.03905	0.4
67.05501	2.0
69.03367	0.5
69.07018	0.9
69.53093	2.5
71.04959	0.4
78.97672	0.3
79.05492	1.8
81.03420	1.9
81.07063	4.3
83.04937	0.8
83.08570	1.4
85.02861	0.7
91.05495	2.0
93.07037	2.1
95.04919	1.1
95.08591	1.7
95.21607	0.3
97.06499	0.5
98.21465	0.7
105.07033	2.4
107.04905	0.4
107.08562	1.1
108.37718	0.3
109.06467	0.6
109.10143	0.5
111.08024	0.6
115.05433	0.5
119.08578	1.7
121.02757	0.3
121.10101	1.1
123.04405	0.8
123.07995	0.5
123.11646	0.9
129.06924	0.6
131.08551	0.8
133.06435	0.4
133.10118	0.8
134.03604	1.2
135.11647	0.4
141.06976	0.5
143.08463	0.4
145.10017	0.9
147.04358	0.7
147.11702	2.9
149.02345	0.6
149.09621	0.5
157.06462	0.5
157.10063	0.8
159.11635	0.4
161.05978	1.0
165.06937	0.9
165.12732	0.8
167.03426	3.7
168.05690	0.8
169.06441	1.1
173.13272	0.3
175.11174	0.8
185.05928	1.1
186.06744	0.8
193.06577	0.7
193.10594	0.3
193.12262	1.7
197.05974	3.0
200.04698	0.4
201.09167	0.4
202.06238	0.3
203.61452	0.4
210.06682	0.5
211.07535	0.4
211.13290	0.9
213.05450	0.9
214.06270	1.0
221.05933	0.4
224.04752	0.8
225.05481	2.8
225.09088	1.1
228.04173	0.5
229.04884	0.4
229.08607	1.2
229.14203	0.4
238.06221	0.4
239.06992	0.6
241.05000	0.8
242.05794	3.2
243.11237	0.5
252.04225	0.6
253.04968	3.2
253.08492	1.5
254.05756	0.4
257.04480	0.9
269.04462	46.0
270.05228	42.9
271.05630	0.9
285.07587	100.0
285.17038	1.5
285.22104	1.2
286.07990	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	285.0755
Annotation	GENISTEIN, 8-METHYL
Peak:m/z	Relative Intensity
52.96027	0.1
53.62216	0.1
55.01852	0.1
55.05501	0.1
56.96552	0.4
60.21487	0.1
65.03929	0.2
67.01864	0.3
67.05500	0.3
68.99792	0.3
70.58666	0.2
70.59020	0.4
70.92114	0.1
73.62982	0.1
77.84352	0.1
79.05495	0.2
81.03415	0.3
81.07059	0.4
83.04996	0.1
85.02908	0.2
89.03923	0.3
91.05483	3.7
95.04963	0.6
95.08612	0.3
98.97565	0.2
103.05486	0.1
105.07031	0.3
107.04974	0.7
107.08599	0.2
111.04439	0.4
113.22583	0.2
116.98605	0.1
117.07036	0.2
119.04929	1.6
121.02869	0.2
123.04427	0.7
124.01574	0.3
125.02398	0.2
131.00127	0.2
131.04932	0.6
133.02864	0.3
135.04443	1.0
137.02271	0.2
141.06992	1.0
144.05621	0.2
145.02840	2.3
145.06499	0.2
146.07301	0.1
147.11702	0.3
149.01147	0.3
149.02342	0.2
151.03850	0.3
152.06186	0.3
153.07011	0.3
155.03418	0.2
155.08450	0.2
157.06465	0.2
158.07259	0.5
159.04407	1.3
163.03902	3.3
164.04611	0.2
165.07016	0.2
167.03406	9.7
168.05704	1.1
168.40784	0.1
169.06491	1.7
173.09538	0.2
176.26099	0.1
179.03391	0.6
181.06543	0.3
183.08035	0.9
185.05992	0.3
186.06763	1.0
187.03943	0.3
187.07463	0.2
196.05284	0.7
197.04471	0.2
197.06021	1.0
198.06772	0.5
199.07494	0.2
201.09100	0.9
205.04967	0.3
211.07545	1.4
213.05463	0.4
214.04311	0.2
214.06229	2.1
215.06746	0.2
224.04671	1.5
225.05466	1.0
225.08833	0.2
226.06126	0.2
227.06941	0.3
229.08603	8.8
230.08908	0.2
239.06985	0.5
241.05008	0.6
241.08617	0.3
242.05740	8.1
243.06393	0.3
252.04192	0.6
253.05000	0.3
257.08087	5.1
259.41315	0.1
267.06546	1.8
269.04462	0.9
270.05255	2.3
279.05933	0.2
284.62970	0.5
285.07571	100.0
286.07880	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26989	0.5
55.05495	1.5
57.03433	0.5
57.07076	0.6
62.95944	0.4
67.05488	1.8
69.03413	0.5
69.07049	1.9
69.91789	0.6
69.92197	2.0
70.02946	2.7
70.06603	0.7
79.05491	2.9
80.54339	0.5
81.03421	1.1
81.07061	2.6
82.06608	0.6
83.08614	0.6
84.01368	0.5
88.03999	1.2
91.05453	1.1
93.07044	5.2
94.06578	0.6
95.04984	0.5
95.07294	0.5
95.08601	2.5
97.06527	0.5
98.06052	0.9
105.07030	1.3
106.06525	0.7
107.08574	3.1
108.08124	8.5
109.06531	0.5
109.08904	1.0
109.10166	0.7
110.09659	1.8
111.08076	0.7
118.04948	0.6
119.08558	1.7
122.09669	6.7
123.10423	0.9
133.10068	0.6
134.09618	0.7
135.11707	4.4
136.11180	2.2
137.13187	0.6
140.03455	0.8
148.11125	0.5
150.12781	12.5
151.13579	6.5
152.10716	0.8
153.12732	0.6
156.06548	0.7
164.14352	1.3
166.12314	0.7
166.15916	1.0
168.06572	0.9
176.14288	0.5
178.15919	5.2
179.14244	0.6
180.10201	0.7
184.09596	0.8
186.11237	1.2
192.13832	0.6
194.15450	2.8
196.09735	0.7
198.11214	0.5
210.11270	2.3
210.14897	3.3
213.11906	0.6
222.14890	0.7
238.14415	0.9
240.15947	100.0
241.16188	2.9
242.17540	6.0
253.08667	0.7
263.15799	0.5
284.06296	0.8
284.18561	58.1
285.07715	1.1
285.11191	0.9
285.18958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.099
Annotation	NSC19994
Peak:m/z	Relative Intensity
56.96544	0.4
57.03423	0.4
61.02921	0.3
70.06562	0.5
70.61391	0.5
70.61783	0.5
71.01337	0.2
73.02905	0.2
83.63176	0.2
84.08154	0.4
85.02892	0.6
87.04442	0.3
109.05135	0.4
110.03535	2.0
128.04559	1.6
128.98477	0.2
135.03006	3.2
136.06157	0.7
139.10039	0.2
140.49078	0.3
152.05669	100.0
153.04076	9.3
153.05968	0.4
194.74071	0.3
284.12653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.01854	0.8
56.05031	1.2
56.96564	2.4
57.07061	1.3
63.00025	1.0
69.03429	1.4
69.07063	1.0
69.94797	2.9
69.95214	1.8
70.06589	6.1
71.04970	1.1
72.08135	1.3
79.05497	1.3
83.06098	3.2
84.04507	51.6
84.08139	2.3
85.02905	3.7
86.09709	1.4
91.05470	1.4
91.61825	0.8
93.07053	2.1
95.07352	0.8
97.02892	1.7
100.02229	1.1
101.07146	4.1
102.05515	1.6
105.07024	1.0
110.06087	1.2
110.07162	1.2
110.09712	1.1
116.06995	0.9
122.02420	1.3
123.06805	2.8
126.09160	7.8
129.06595	10.4
130.05002	69.7
138.09138	100.0
139.03908	1.1
140.03395	1.8
140.07021	0.9
147.07646	50.8
152.05725	1.2
155.11824	2.6
163.03958	1.9
163.62869	0.8
193.06502	1.4
210.06717	1.0
221.05971	1.8
221.12836	5.0
225.09134	3.5
253.08568	4.4
266.14938	1.4
284.16086	13.5
284.19025	1.1
284.29565	7.3
285.11301	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.01848	0.6
55.05513	2.4
56.05014	0.5
56.96544	0.5
67.05512	2.3
69.03410	0.7
69.07046	1.4
69.38647	1.8
69.39071	2.1
70.02960	2.3
70.06591	2.0
72.04518	0.5
78.47073	0.5
79.05486	2.6
80.05009	0.4
80.84181	0.4
81.03419	2.7
81.07030	2.2
82.06570	1.0
83.08593	1.2
84.08126	0.9
86.06042	0.6
86.09695	1.7
88.03970	0.7
91.05479	2.0
93.07040	5.5
94.06543	1.0
95.04942	1.1
95.07320	0.5
95.08591	2.8
96.08141	0.6
96.90495	0.4
97.06489	0.5
98.06027	0.6
105.07011	1.3
106.04984	0.7
107.08582	2.8
108.07440	0.5
108.08118	8.6
109.02837	0.5
109.08890	1.1
109.10121	1.0
109.15831	0.4
110.06040	0.5
110.09660	1.7
112.07598	1.0
114.05538	0.7
116.03440	0.4
118.05000	0.6
119.08566	1.7
121.10092	0.6
122.02373	2.9
122.09666	7.9
123.10426	1.9
133.10075	0.4
134.09631	1.0
135.11693	4.8
136.11243	2.7
137.06015	0.9
137.13234	0.7
140.03439	2.7
140.10703	1.1
147.11736	0.5
148.11093	0.5
150.11615	0.8
150.12776	12.2
151.13576	6.8
153.15131	0.5
154.04929	0.4
157.10092	0.5
161.05991	0.5
164.14319	1.2
166.12271	1.1
166.15927	1.1
168.06573	1.5
172.09654	0.6
176.14352	0.4
178.15913	4.0
180.10172	0.8
186.11235	1.3
192.94849	0.4
193.12265	0.7
194.15384	3.4
196.09619	1.1
198.11166	0.7
208.13388	0.4
210.11198	2.2
210.14876	2.8
211.11942	0.6
212.12761	0.5
238.14406	0.8
240.15936	100.0
241.16283	2.8
242.17491	6.1
253.08549	0.7
269.04257	0.4
270.05200	1.1
284.06305	1.0
284.18555	53.7
284.29468	1.8
285.07544	1.6
285.11865	0.6
285.18903	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03943	3.0
55.01856	1.4
55.05513	10.8
57.03424	3.3
57.07059	4.4
59.04974	2.1
64.29286	1.2
64.44556	1.2
65.03921	1.7
67.05510	21.6
69.03419	7.9
69.07065	12.3
71.04987	6.0
71.11922	2.4
77.03925	1.5
79.05499	20.0
81.03404	2.3
81.07054	31.8
83.04988	6.8
83.08620	6.6
85.06551	2.6
91.05481	22.2
93.06484	1.9
93.07048	29.1
95.04968	12.5
95.08607	25.5
97.02855	1.7
97.06535	4.4
97.10184	1.9
102.20490	1.3
102.92234	1.6
103.05468	2.2
105.07033	44.6
105.83781	1.4
107.04932	2.7
107.08598	28.2
109.06509	8.1
109.10163	17.7
111.04446	2.9
111.08071	2.9
111.99165	1.4
115.05433	2.6
116.06209	1.8
117.07038	11.6
119.08579	37.0
119.21092	1.3
121.06525	11.2
121.10147	77.5
123.08067	7.2
123.11691	7.4
128.06209	3.8
129.06998	6.9
130.07756	4.1
131.08569	29.0
133.06509	1.8
133.10132	28.2
135.08051	8.8
135.11696	11.6
142.07768	5.9
143.08559	18.1
144.09254	3.9
145.10117	36.2
146.07291	1.5
147.08049	4.1
147.11687	8.6
149.09636	3.3
149.13283	3.2
153.06956	1.9
153.12791	2.9
155.08533	5.2
156.09334	4.7
157.10129	17.4
158.10913	4.6
159.08044	5.0
159.11684	15.8
161.08315	2.2
161.09618	24.4
161.13245	5.5
163.11191	9.1
164.60423	1.3
165.06973	2.2
166.07828	1.6
167.08585	4.0
168.09337	2.0
169.10135	5.1
170.10912	2.5
171.11678	14.4
172.08829	2.2
173.09613	5.5
173.13261	50.4
175.11154	5.9
175.14835	7.3
179.08557	6.8
180.09401	1.8
181.10077	5.2
182.10928	1.7
183.11728	7.3
185.09642	3.9
185.13232	10.8
187.11266	2.4
187.14810	8.4
189.12814	3.9
191.14259	2.9
193.10201	3.7
194.10866	5.7
195.11700	9.1
197.13260	5.0
199.11140	4.1
199.14795	8.7
200.17581	1.4
201.12759	2.4
201.16388	2.7
207.11646	1.8
208.12474	2.6
209.11546	1.6
209.13293	17.8
210.14030	2.4
211.14853	3.9
213.12726	5.3
213.16409	4.9
215.14319	2.0
223.14796	11.0
225.16380	6.6
227.12376	1.9
227.14554	7.8
235.08438	1.4
235.14784	2.7
239.17964	3.1
241.15761	3.1
248.33769	1.7
250.17232	1.9
255.21068	13.5
265.19534	22.9
283.06226	1.7
283.15424	5.3
283.20557	100.0
284.20935	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03934	5.7
55.01862	8.2
55.05510	21.0
56.96551	8.8
57.03414	8.9
57.07055	5.0
60.05505	2.6
65.03933	4.2
67.05176	3.4
67.05502	33.8
68.74976	2.3
69.03415	9.0
69.07072	23.7
69.12531	2.4
69.90715	9.7
71.04994	13.0
74.61128	2.2
74.88019	2.5
79.05490	35.2
80.44162	2.2
81.03426	4.3
81.07047	42.0
83.04981	16.3
83.08601	11.2
91.05482	33.8
93.07040	44.1
95.04978	16.2
95.08610	30.3
97.02872	5.6
97.06511	9.6
98.20767	4.5
98.97589	4.6
103.05444	4.6
105.07020	49.2
107.04967	6.2
107.08592	34.4
109.06503	10.6
109.10143	23.1
111.04440	7.3
111.08064	6.7
116.98573	4.2
117.07007	10.2
119.07809	3.3
119.08588	38.0
121.06493	11.4
121.10144	100.0
123.08028	9.8
123.11689	9.8
128.06198	5.1
129.07037	4.8
130.07733	4.8
131.08559	30.8
133.06592	2.4
133.10133	26.1
134.99617	6.3
135.08037	7.5
135.11694	27.6
137.09610	2.6
141.06989	3.0
142.07834	4.4
143.08559	19.8
144.09297	3.3
145.10130	46.4
146.07245	4.1
147.08040	5.7
147.11679	6.7
149.09514	3.8
149.13229	2.8
153.12761	15.0
155.08617	4.8
156.09297	4.4
157.10123	15.3
158.10896	6.7
159.08102	4.9
159.11699	15.1
161.09637	26.3
161.13287	4.6
163.11171	21.6
165.06923	3.5
168.09315	2.7
169.10083	7.2
170.10950	4.0
171.11647	12.1
173.09581	7.5
173.13278	43.3
175.14819	5.7
179.08586	5.2
181.10143	4.8
181.12251	10.9
183.11690	9.4
185.09622	3.0
185.13211	8.9
187.14786	10.2
189.12772	3.6
191.10620	4.6
194.10904	3.8
195.11682	8.1
197.13301	6.4
199.14748	6.6
201.16360	3.1
207.11668	3.9
209.11548	3.7
209.13234	11.5
211.14818	2.5
213.12761	5.4
213.16354	3.6
223.14845	7.1
225.16376	4.8
227.12616	23.5
227.14691	2.8
241.15804	2.5
255.21103	6.5
257.10602	3.2
261.12344	5.0
264.15640	2.4
265.19467	20.9
265.21899	3.3
278.00958	3.6
283.15555	18.9
283.20535	84.2
283.28098	2.8
284.20786	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01870	5.2
55.05512	13.8
56.92232	0.9
56.96569	0.9
57.03436	13.8
57.07067	1.9
65.03929	2.1
67.05167	1.6
67.05503	21.0
69.03415	2.9
69.07066	7.1
69.47186	8.0
71.05006	4.4
73.02908	1.8
79.05494	27.2
81.03398	3.7
81.07058	24.3
83.04979	4.8
83.08610	8.4
85.02903	1.2
85.06567	0.9
91.05470	11.9
93.07043	46.1
95.04967	9.6
95.08607	42.8
97.02890	5.0
97.06512	4.5
97.10134	0.9
99.04466	4.9
103.05493	1.1
105.07024	8.5
107.04948	12.0
107.08589	33.8
109.06535	3.2
109.10139	3.8
109.68788	0.8
111.04450	3.7
111.08091	2.5
115.05473	0.9
117.07021	11.7
119.04905	1.0
119.08584	13.0
121.02863	10.4
121.06522	7.6
121.08784	0.8
121.10134	16.5
123.08051	1.6
125.05974	3.8
130.07780	2.3
131.04900	1.4
131.08582	2.3
131.75510	1.0
133.10112	3.7
135.08063	3.6
135.11693	52.0
139.07532	2.2
139.11314	0.9
141.01833	1.7
143.08534	1.9
145.06462	1.2
145.10135	31.5
145.11290	1.8
149.09645	2.6
153.12750	1.6
163.11179	70.0
164.11459	0.9
165.01825	7.8
168.11514	0.9
171.04466	0.9
173.09659	2.2
181.12215	16.3
181.13699	1.3
183.02939	4.9
184.05212	1.2
191.10660	1.1
209.11765	2.5
223.07497	1.0
227.12778	100.0
228.13181	2.5
255.06444	1.3
268.03650	1.5
283.06018	20.4
283.09607	5.0
283.15341	22.4
283.20132	1.2
284.06497	1.2
298.73944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01870	6.3
55.05507	13.0
57.03433	11.5
57.07076	1.5
59.48660	0.8
65.03922	1.2
65.56931	0.8
67.05503	20.0
69.03416	1.7
69.07062	7.8
69.40340	6.1
69.40757	1.4
71.04969	2.1
71.05609	0.8
73.02883	1.2
79.05493	30.2
79.05962	1.7
81.03413	3.4
81.07053	21.4
83.01369	0.8
83.04970	4.7
83.08613	7.9
89.06032	3.1
91.05470	11.3
93.07037	43.7
95.04959	7.5
95.08600	39.7
97.02892	4.6
97.06516	4.0
97.10156	1.1
99.04427	4.7
105.07020	8.6
107.04946	11.6
107.08587	32.0
109.06519	3.3
109.10117	3.2
111.04465	2.2
111.08038	1.1
117.07008	11.6
119.08572	10.3
121.06497	6.7
121.10133	15.1
125.05970	4.9
128.06198	0.9
129.06998	1.1
130.07779	3.4
131.08569	1.6
133.08650	1.0
133.10132	2.7
135.08069	2.3
135.11688	51.8
139.07544	2.3
143.08530	1.3
145.06531	1.0
145.10117	33.9
153.12688	1.3
163.11169	68.2
166.45976	0.8
173.09657	2.2
181.12212	14.7
200.72356	0.9
209.11784	1.6
227.12769	100.0
228.13068	1.3
248.91399	1.0
283.15402	22.2
283.20480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01869	4.6
55.05511	11.7
57.03431	11.4
57.03694	0.9
57.07082	1.3
65.03958	0.9
67.05500	20.5
69.03436	1.4
69.07065	10.2
71.04996	3.5
71.52155	1.0
73.02938	1.0
79.05490	31.3
81.03413	3.2
81.07050	23.8
83.04976	5.5
83.08616	8.8
85.06541	1.0
89.06028	1.7
91.05470	10.4
93.07037	42.1
95.04971	8.9
95.08601	43.6
97.02878	4.7
97.06518	5.3
97.10183	0.9
99.04451	5.1
103.05441	0.8
105.07024	9.0
107.04951	12.8
107.08587	30.2
109.06506	1.5
109.10183	3.7
111.04453	2.5
111.08102	1.4
113.06038	1.3
115.05461	1.0
117.07008	13.6
119.08580	12.1
121.06488	6.5
121.10136	15.8
123.11711	1.0
125.05990	3.5
129.06982	0.8
130.07796	2.6
131.08577	1.7
133.10117	3.3
135.08064	2.6
135.11681	52.1
137.13268	0.8
139.07530	1.8
143.08580	2.1
145.06528	0.9
145.10121	30.0
153.12770	1.2
155.08562	1.2
155.54800	0.8
155.68083	0.6
159.11627	0.8
163.11171	70.3
164.11519	1.5
173.09628	1.7
181.12228	17.0
191.10516	1.0
209.11728	1.7
227.12769	100.0
228.13103	2.2
245.46233	0.7
283.12372	1.1
283.15369	20.1
283.20288	0.9
283.24158	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01874	4.8
55.05259	1.2
55.05508	14.6
57.03431	13.2
57.07060	2.4
59.02747	1.0
67.01561	0.9
67.05171	1.5
67.05504	21.2
69.03423	2.8
69.07069	8.9
70.69507	0.8
71.04980	3.2
71.08655	0.9
71.60392	0.8
71.60788	1.1
72.62367	0.9
72.90501	0.9
79.05494	31.2
79.05961	1.5
80.59170	1.0
81.03402	3.1
81.07055	21.7
83.04978	7.2
83.08619	7.8
83.97733	0.8
91.05480	11.2
93.07040	39.4
93.07630	2.0
95.04974	8.9
95.08604	40.5
97.02872	5.1
97.06510	3.9
99.04454	4.4
105.07031	8.1
107.04949	9.9
107.08592	30.9
109.06530	3.1
109.10125	3.6
111.04423	4.1
111.08064	1.2
117.07007	13.2
119.08572	10.3
121.06499	6.4
121.10129	16.1
125.05985	4.3
129.06990	1.6
130.07782	3.5
131.08563	2.2
133.10120	3.3
135.08049	2.3
135.11688	51.5
139.07527	1.2
145.10110	32.1
149.09650	1.3
153.12735	1.7
155.08560	1.3
163.11176	71.7
173.09674	2.8
181.12241	15.4
191.10703	2.7
202.76535	1.0
209.11789	1.8
227.12772	100.0
228.13200	2.2
279.02536	1.0
283.15359	26.2
283.20496	3.3
294.70786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81353	1.2
53.03935	3.4
53.48880	1.4
54.36953	1.3
55.01873	7.1
55.05509	17.5
57.03430	12.5
57.07068	4.7
67.05501	24.4
69.03421	1.9
69.07071	10.4
71.04994	5.1
71.08636	1.6
71.12358	2.9
71.12722	1.2
73.02914	2.1
79.05495	31.5
81.03406	5.4
81.07061	26.3
83.04972	7.0
83.08624	9.4
85.02863	1.2
85.06562	2.0
85.10181	1.7
91.05488	15.9
93.07041	50.3
95.04970	12.1
95.08607	40.1
95.09117	1.1
97.02894	5.5
97.06492	7.3
97.10155	3.1
99.04456	5.1
105.07044	12.0
107.04945	14.1
107.08593	38.4
109.06507	4.3
109.10152	3.9
111.04439	7.4
111.08107	1.9
114.96196	3.7
115.05393	1.6
117.07012	13.4
119.08578	9.4
121.06524	7.1
121.10157	18.0
123.08044	1.4
125.06002	4.8
129.06952	2.6
130.07834	3.3
131.04936	1.6
131.08604	3.1
133.10133	3.7
135.08002	3.1
135.11688	58.6
135.12720	3.0
139.07545	1.8
143.08588	2.4
145.10117	32.9
153.12730	3.3
155.08545	2.3
163.11180	78.7
164.11497	1.8
171.02432	1.9
172.95256	4.2
173.09639	3.7
181.12228	19.4
190.96312	3.6
191.10661	2.4
209.11694	5.0
227.12776	100.0
228.97955	2.0
246.98869	2.7
283.15393	29.8
283.20291	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01867	5.2
55.05503	16.1
56.96568	3.8
57.03423	11.5
57.07071	5.4
59.85167	2.5
67.05505	25.4
69.03419	2.3
69.07075	11.8
69.42763	2.2
70.26423	2.0
70.51277	5.6
71.08585	2.3
77.88728	2.2
79.05492	36.8
80.19573	1.9
81.03419	3.4
81.07056	31.1
83.04982	7.1
83.08605	11.6
86.24651	2.0
90.29541	2.5
91.05475	13.9
93.07046	52.4
95.04953	11.8
95.08604	47.0
97.02868	4.9
97.06541	9.4
97.43258	2.2
98.97584	2.8
99.04462	5.1
99.08108	2.3
105.07018	13.4
107.04948	12.3
107.08596	33.7
109.06470	3.8
109.10169	6.2
111.04463	5.2
116.98607	4.1
117.07022	14.2
119.08600	12.2
121.06512	6.7
121.10147	17.3
129.06985	2.7
129.54832	2.4
131.08578	6.2
134.99651	2.4
135.08136	2.8
135.11691	53.3
143.14745	2.9
145.10138	35.1
153.12743	5.4
157.52914	2.3
163.11186	64.2
173.09702	2.8
173.13324	4.7
181.12213	20.3
209.11772	6.7
227.12788	100.0
283.15353	29.4
283.28259	4.2
291.12015	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	283.154
Annotation	1alpha-Hydroxyalliacolide
Peak:m/z	Relative Intensity
51.02356	2.2
53.03938	3.8
55.01872	27.8
55.05510	23.3
57.03442	10.3
57.07052	4.9
59.04986	4.1
65.03941	3.7
67.05505	61.9
69.07068	11.9
71.04979	6.7
73.02905	2.3
73.75705	1.7
79.05070	3.6
79.05495	44.6
81.03408	8.7
81.06593	2.8
81.07054	43.6
83.04982	60.1
83.08614	12.9
85.02910	9.8
85.06529	6.9
88.65594	2.2
91.05474	28.8
93.06489	2.9
93.07046	55.8
95.04957	17.3
95.08611	20.6
97.06526	16.5
97.10154	2.4
98.21562	3.4
99.04478	10.6
99.08087	3.7
101.02351	2.4
105.07020	12.2
105.72973	1.9
107.04957	19.9
107.08603	27.9
109.06487	4.2
109.10161	19.2
111.04438	100.0
111.08076	25.9
117.07014	15.6
119.08576	21.5
121.06498	5.8
121.10137	45.2
123.08098	3.0
125.05983	6.7
128.06198	2.8
129.05467	2.6
129.06999	4.6
130.07698	2.6
131.08563	17.3
133.10086	2.9
135.08017	3.6
135.11690	44.4
137.09653	3.1
139.07550	3.0
145.06464	6.4
145.10120	37.0
147.08020	3.1
147.11694	4.8
149.09566	10.0
153.12750	36.4
155.08542	4.1
159.11685	2.5
163.11177	67.5
173.09644	23.6
181.12221	64.7
191.10675	42.9
199.13206	2.1
209.11711	10.5
227.12755	40.6
265.14432	3.3
269.36163	1.9
281.11435	2.3
283.15384	92.0
283.20212	4.4
284.15994	2.2
286.38510	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01878	6.2
55.05503	13.6
57.03432	14.2
57.07072	3.5
67.05505	28.3
69.03441	2.7
69.07075	10.9
71.04991	4.0
79.05496	33.5
81.03429	5.4
81.07062	23.6
83.05005	7.8
83.08620	10.4
85.02910	1.7
86.08895	1.8
91.05489	13.1
93.07047	49.0
93.07637	2.5
95.04967	10.6
95.08608	45.9
97.02898	6.1
97.06525	6.6
97.10158	1.8
99.04480	5.7
100.76997	1.7
104.12836	1.6
104.43359	1.5
105.07030	12.4
107.04964	11.6
107.07878	2.0
107.08601	30.9
109.06500	4.2
109.10145	5.0
109.19384	1.5
111.04448	5.3
117.07005	11.6
119.08585	15.1
121.06519	7.0
121.10149	15.5
125.05994	4.3
129.06989	2.6
130.07770	3.1
131.08562	3.7
133.10147	5.7
135.08018	2.2
135.11696	55.8
143.08603	1.8
145.06525	1.5
145.10129	33.1
147.07990	2.0
149.09677	1.7
151.07494	1.9
153.12746	3.0
155.08572	2.4
157.10120	2.2
163.11185	78.0
167.97430	1.7
170.29883	1.6
173.09639	3.3
173.13278	2.4
181.12242	17.8
183.11665	1.9
191.10678	4.1
209.11783	4.2
227.12788	100.0
241.76143	1.7
283.15298	28.2
283.20590	4.4
303.93680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09021	0.5
53.03960	0.6
54.96364	0.5
55.01870	0.7
55.05509	4.1
56.22518	0.5
56.96554	1.5
57.01996	0.5
57.03416	2.2
57.07079	1.5
61.02935	0.7
64.42960	0.5
65.03922	0.8
67.05504	7.1
68.05838	1.7
68.86345	0.6
69.03425	1.7
69.07066	6.2
70.65476	0.8
70.65855	1.3
71.04982	1.5
79.05487	5.5
81.03432	1.8
81.07062	9.2
82.07373	0.6
83.04976	2.1
83.08613	2.7
85.51383	0.5
86.06050	0.8
86.27907	0.7
87.04460	1.2
89.06024	0.7
91.05460	2.9
92.05784	0.9
93.07047	5.3
94.07403	1.1
95.04956	2.5
95.08607	11.0
96.08926	2.6
97.02888	1.4
97.06554	1.4
97.10139	1.7
99.08086	0.7
101.03461	1.1
103.05457	1.0
104.05833	0.9
104.07079	2.2
105.06982	3.0
107.04967	1.7
107.08586	2.8
108.08147	0.6
108.08918	1.0
109.10126	5.1
110.10489	1.3
111.04426	1.3
111.08086	0.8
111.11761	0.8
114.36366	0.7
116.98557	0.7
117.07021	1.4
119.08588	2.2
120.08923	1.4
121.02876	7.7
121.06499	0.9
121.10126	2.2
123.11693	1.8
127.03957	0.8
128.06268	0.8
129.06985	0.7
131.04926	0.9
131.08571	1.2
134.99634	0.9
135.09937	0.7
135.11697	2.8
137.13217	0.9
141.06979	1.2
145.10147	2.0
149.09622	0.8
151.03915	0.7
151.14815	0.8
153.12796	0.8
159.11526	0.6
162.22980	0.7
163.11172	2.0
165.06985	0.7
167.07095	0.8
167.08499	0.9
171.04378	1.4
171.11737	0.7
177.16397	1.0
181.06409	0.7
184.05193	2.7
187.08150	0.9
197.05975	1.6
211.03906	0.7
212.04591	1.4
223.07541	1.0
225.05495	1.3
227.06912	0.6
227.12749	1.4
229.33716	0.6
233.11554	3.3
240.04190	2.0
240.07770	1.3
247.24136	1.0
251.11389	2.5
253.04892	1.9
255.06548	4.3
265.14151	2.2
268.03687	1.3
268.07214	1.1
269.12424	6.4
273.65536	0.7
283.06039	12.4
283.09811	5.2
283.15176	100.0
283.20868	9.5
284.06107	1.3
284.15475	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0604
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
50.23543	0.3
50.97338	0.3
55.01819	0.6
55.05446	2.1
56.96512	0.6
57.03391	0.9
57.07033	0.6
67.05435	2.1
67.98811	0.3
69.03378	0.3
69.07001	3.3
71.04967	0.6
71.60977	0.5
74.08924	0.3
76.16774	0.4
79.05501	1.9
81.03371	0.5
81.07054	3.7
81.47591	0.4
83.04922	0.4
83.08612	1.8
85.02867	0.5
85.06515	0.4
91.05479	1.8
91.05907	0.5
93.07047	2.8
95.04903	1.0
95.08607	4.0
97.02881	0.5
97.10100	1.1
99.08017	0.6
105.06963	1.1
107.04932	0.7
107.08618	1.8
109.06434	0.7
109.10154	2.6
111.04394	0.8
111.08047	0.3
111.11674	0.4
112.12765	0.3
115.05403	0.4
117.06954	0.5
119.08543	0.9
121.02874	7.0
121.06449	0.6
121.10168	1.8
123.11649	1.1
125.09546	0.5
128.06172	1.4
129.06978	0.3
131.04872	0.6
131.08499	0.7
135.08049	0.4
135.11726	1.7
136.06041	0.3
137.13226	0.9
139.03818	0.4
143.08588	0.4
144.05612	0.4
145.02757	0.4
145.10063	1.3
147.11646	0.4
149.09534	0.5
149.13176	0.6
155.04851	0.5
156.05740	2.2
157.10124	0.4
161.05984	0.5
163.11115	0.9
165.06999	0.4
167.06924	0.8
171.11546	0.5
177.05438	1.1
177.45378	0.3
179.17966	0.4
181.06429	0.4
184.05202	11.2
185.05620	0.4
191.10580	0.7
191.17900	0.6
195.04439	0.4
195.07944	0.7
211.03885	1.5
211.07365	0.4
211.14665	0.4
212.04704	6.2
213.36423	0.3
223.07544	0.4
224.56822	0.3
225.05322	0.6
227.12720	0.6
239.03413	0.7
240.04135	2.8
240.07791	0.7
251.06921	0.6
255.06601	1.1
255.20897	0.4
267.02957	1.1
268.03680	84.9
269.03989	2.6
283.06036	100.0
283.20538	1.1
283.26163	0.6
284.06357	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01877	2.2
55.05264	1.2
55.05511	13.2
55.37555	1.0
56.96570	2.6
57.03429	6.3
57.07079	5.3
59.05006	1.0
65.03938	1.4
67.05506	62.8
69.03436	8.7
69.07069	10.6
70.65198	2.9
70.65553	1.1
71.04983	4.2
72.73650	0.9
73.02888	1.0
79.05495	30.8
81.03404	4.1
81.06589	2.2
81.07061	44.3
83.04980	3.2
83.08617	4.2
84.04514	2.6
84.08205	1.1
85.06564	1.1
86.06065	13.4
87.04470	24.1
91.04964	1.6
91.05479	15.7
93.06488	1.5
93.07048	27.3
95.04980	10.2
95.08611	87.3
96.08909	1.3
97.02917	1.2
97.06514	1.4
98.06039	2.0
98.97577	2.9
102.05553	2.0
104.07108	31.4
105.07035	17.8
107.08597	19.8
109.06503	4.7
109.10166	44.0
116.98593	2.5
117.07023	1.3
119.07803	1.9
119.08590	27.3
120.04438	2.8
121.02865	7.8
121.10132	6.4
123.08054	7.2
123.11694	2.5
124.07571	1.3
133.10115	6.3
134.99617	1.4
135.11693	7.1
137.09619	10.3
137.13226	2.2
149.13257	8.6
151.14827	16.6
158.82733	1.1
161.13245	9.3
162.06563	1.3
165.08568	1.0
167.17548	1.1
177.00703	1.4
179.14325	11.0
181.30368	1.1
184.05243	3.9
184.13321	5.1
197.05888	1.0
201.13052	1.5
212.04681	3.1
212.12756	2.6
222.13565	1.1
223.07422	1.3
230.78723	1.0
237.09094	1.0
240.04045	1.3
255.06526	6.9
264.19504	2.1
268.03754	1.2
282.08685	1.4
282.20633	100.0
283.05994	8.5
283.09625	4.0
283.15198	8.1
283.20877	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	282.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99718	0.3
55.01867	1.4
55.05507	1.1
64.49916	0.4
67.05506	1.3
68.05026	0.6
68.99777	0.4
69.03429	0.5
69.07070	0.6
70.03288	1.8
70.06601	0.6
79.05502	1.9
80.05007	2.0
81.03416	1.0
81.07050	2.4
82.06576	0.8
84.04494	1.2
84.08143	1.2
85.02905	0.6
86.06091	0.8
87.04470	17.2
91.05485	1.0
93.07044	3.7
94.06587	0.4
95.08624	1.0
96.08153	0.6
97.02933	0.6
98.06036	1.4
102.05524	0.5
107.08607	1.8
108.08127	2.9
109.08833	0.6
109.10146	0.5
110.09685	1.4
116.07059	0.4
119.04929	1.6
120.08092	1.5
121.02874	3.2
121.10130	0.5
122.09664	2.7
123.10424	0.8
124.07583	0.5
124.11250	0.8
126.72120	0.4
129.94702	0.4
135.11736	2.9
136.07584	0.9
136.11243	1.3
137.02324	0.8
137.05988	0.4
137.13271	0.6
141.01825	2.7
150.09209	0.4
150.12782	4.6
151.13589	0.8
152.14346	15.3
152.15575	0.8
164.10681	0.4
165.01842	12.3
166.08649	3.5
175.03902	0.5
180.10202	1.4
181.11047	0.6
182.11647	0.6
183.02881	8.6
184.09706	0.9
184.13316	1.3
193.03101	0.5
194.11786	2.7
194.13414	0.5
195.88615	0.3
196.13322	1.4
196.16913	0.6
207.06607	0.6
208.13333	4.5
209.11835	0.5
209.14066	1.4
210.14897	0.8
213.08997	0.4
238.18021	100.0
239.18407	2.0
240.19510	0.6
263.64557	0.5
282.20630	69.6
283.06015	33.6
283.08496	0.3
283.20923	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05531	0.2
55.05516	0.9
56.87676	0.2
56.96555	0.2
57.03451	0.4
59.05005	1.1
60.08164	0.5
61.02923	1.9
67.05523	0.5
68.05036	0.3
69.03433	0.5
70.06606	0.5
71.04984	4.2
71.60019	0.2
72.08156	0.3
79.05494	1.6
80.02510	0.2
81.03426	0.4
81.07060	4.9
83.04966	0.3
84.08153	0.5
85.02912	0.3
85.06593	0.2
87.08118	0.7
88.04022	0.3
91.05497	0.3
92.05814	0.3
93.07026	0.3
95.04984	0.4
95.06091	0.8
95.08595	0.2
97.02893	0.2
99.08101	0.7
105.07005	0.4
107.08598	0.5
108.08136	0.3
109.02872	0.3
109.05137	0.9
110.03522	2.9
113.09637	0.8
116.03441	0.2
119.08544	0.5
120.04492	0.5
120.08101	1.0
121.02862	1.2
121.06508	2.1
126.02489	0.4
127.03259	1.5
128.04550	2.7
132.08086	0.3
133.26715	0.3
134.04524	1.0
134.09680	0.6
135.03026	3.2
135.11592	0.3
137.93936	0.3
151.07416	0.2
152.05672	100.0
153.04070	13.7
153.06003	0.6
161.10750	1.0
162.11531	0.5
166.07237	1.0
166.08519	0.2
167.07048	0.3
174.12758	1.2
195.09448	0.4
218.54924	0.3
220.13327	1.9
223.09042	2.2
232.11993	0.5
236.16296	0.3
250.12991	2.6
282.15646	24.5
283.06033	0.6
283.15680	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48528	0.4
55.01869	0.8
55.05517	2.0
56.05024	0.9
56.96571	2.2
57.03437	0.5
57.07073	0.5
58.99297	0.4
58.99589	5.8
67.05502	4.0
68.05033	0.7
68.18895	0.3
69.03430	0.5
69.07066	3.5
69.30232	2.7
69.30637	0.8
70.06600	1.9
70.07396	0.4
72.08146	0.6
73.01119	0.5
75.42780	0.3
78.20707	0.4
79.05490	4.0
79.05917	0.5
80.05035	2.8
81.07061	5.7
82.06578	1.0
82.07352	0.4
83.08597	0.8
85.01124	1.4
86.00656	1.8
86.99068	3.9
87.02692	2.0
88.02201	1.3
91.05476	2.0
93.05785	1.8
93.07053	2.3
93.15160	0.3
94.06555	1.1
95.04941	1.0
95.08606	5.2
96.04515	0.4
96.08117	1.0
97.06547	0.3
98.97593	2.2
99.02679	0.4
101.04222	1.2
105.00096	2.4
105.07034	3.3
106.06539	1.1
107.07349	0.7
107.08599	3.6
108.08119	24.5
109.08931	0.7
109.10166	2.2
110.09715	2.1
110.10385	0.6
111.04408	0.5
112.02196	2.7
113.04224	0.7
116.98624	1.7
117.07008	0.7
119.08602	2.4
120.04422	0.7
120.08132	2.2
121.02872	1.9
121.08868	1.1
121.10159	1.1
122.09660	5.0
123.11688	0.7
124.02172	0.6
124.11246	1.6
127.69160	0.4
131.08592	0.6
132.01114	1.9
132.08095	0.9
133.08847	0.6
133.10124	1.6
134.09657	1.5
134.27625	0.4
134.99634	0.9
135.07973	0.4
135.10410	0.6
135.11739	0.6
136.11201	1.7
137.04201	1.1
138.03712	1.2
140.05307	2.3
143.05579	0.5
143.08920	0.4
145.10088	0.4
146.09630	0.4
148.11217	1.8
149.11969	0.5
149.13168	0.6
150.12781	1.0
151.14822	0.9
158.02650	1.1
158.99658	0.6
159.04745	1.1
161.13261	1.2
162.12891	0.4
164.07065	0.7
166.06845	4.6
167.03394	0.4
168.03731	0.8
168.08554	0.6
168.11710	0.5
173.06313	1.5
176.14362	3.4
177.00693	1.8
177.15170	1.0
178.15921	4.0
180.08511	2.4
180.10043	0.5
181.09213	0.8
182.02742	1.8
183.03474	1.0
184.04184	0.8
192.12695	0.6
193.10457	0.6
195.12016	0.5
201.13257	1.3
210.05864	1.3
210.13141	2.8
212.07405	31.9
213.07980	1.1
226.09099	0.4
236.14661	1.5
240.13812	0.8
249.14310	1.2
258.14865	0.6
264.05887	0.4
273.15271	1.2
282.15225	100.0
283.06000	1.3
283.09442	0.8
283.15540	3.4
289.25143	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72945	2.9
56.96569	32.1
65.74718	3.0
71.58061	5.2
71.58443	2.8
71.95222	2.7
72.27740	2.6
76.44678	2.5
79.15121	3.1
79.69115	3.6
81.03394	3.5
81.52315	2.5
84.08144	3.4
94.82063	2.7
98.88770	3.0
98.97587	73.5
104.10751	5.7
116.97825	6.6
116.98626	100.0
122.13086	3.1
134.99660	78.5
139.11214	3.1
153.00591	16.4
153.08644	3.0
153.97467	3.4
156.97491	3.7
172.95198	5.2
174.98569	6.4
175.33934	3.2
177.00513	2.7
194.49565	2.8
213.99643	5.7
214.96313	2.9
216.51105	3.3
216.97867	5.9
225.51526	4.5
225.99591	3.7
230.94153	4.0
240.98991	3.5
257.97623	3.8
258.97348	5.7
258.99780	38.0
276.97821	7.2
277.00803	98.7
278.01184	4.2
288.96759	3.4
299.98804	4.8
301.88651	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	282.1489
Annotation	Bharatamine
Peak:m/z	Relative Intensity
51.02365	0.4
53.03948	1.0
55.05512	1.6
55.82603	0.3
56.96572	2.4
57.03426	0.7
59.33151	0.3
61.47498	0.3
61.99347	0.3
67.05506	2.5
69.03424	1.0
69.07079	2.2
70.06584	0.3
71.04984	0.6
71.61271	0.4
72.64458	0.3
79.05492	31.8
80.05822	0.4
81.03413	1.9
81.07061	3.4
82.07385	0.4
83.04987	0.5
83.08635	0.6
85.02904	0.5
86.06075	1.2
87.04465	1.5
91.05479	1.5
93.03423	0.4
93.07046	4.9
94.06612	0.3
95.04977	2.4
95.08601	4.6
98.06036	0.4
98.97565	1.7
100.11223	0.3
103.05467	68.3
104.05779	0.4
104.07089	1.1
105.04524	0.5
105.07034	5.0
107.04954	33.4
107.08588	8.4
108.05277	0.3
108.08978	0.4
109.06506	0.4
109.10163	1.5
116.98634	1.9
117.07004	1.0
118.06538	3.0
119.07315	3.4
119.08582	1.2
120.04491	0.9
121.02868	2.7
121.06519	2.4
121.10124	1.1
123.08053	1.0
123.11677	0.4
131.04927	23.0
132.08095	0.7
133.10109	0.8
134.09651	63.2
134.99641	1.1
135.10005	1.0
135.11696	1.2
137.13301	0.4
145.10141	0.6
149.05978	2.2
149.13261	4.8
151.14796	0.8
161.13293	1.9
163.11185	1.1
168.11682	0.3
177.00737	0.7
177.12135	0.6
179.14320	1.3
183.12123	0.4
184.05203	3.5
184.13272	2.3
186.12708	0.7
201.13277	1.5
210.13664	0.5
211.03935	0.4
212.04709	2.5
227.12775	1.5
233.97134	0.3
240.04173	0.9
255.06531	4.7
258.14841	1.3
258.64978	0.5
264.14780	1.2
265.12280	0.4
268.03671	0.7
272.64633	0.4
273.15271	1.9
273.65570	0.6
281.65170	0.4
282.14880	100.0
282.20432	2.8
283.06024	4.8
283.09146	0.5
283.15173	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01868	4.0
55.05512	33.3
57.03441	30.4
57.07080	2.3
59.05009	1.2
65.03934	4.9
65.04235	1.1
67.05507	86.2
67.26965	1.2
69.03417	2.9
69.07070	21.2
69.36930	11.3
71.04993	4.9
79.05495	100.0
80.01784	1.2
81.03430	11.7
81.07059	68.8
83.04983	33.3
83.08612	11.0
84.27322	1.4
85.02893	1.7
85.06528	3.7
91.05485	63.5
93.07047	76.2
95.04974	29.1
95.08612	41.5
97.02895	1.6
97.06522	5.7
97.10173	4.0
101.06012	1.1
103.05521	1.4
104.63509	1.0
105.04518	1.9
105.07031	44.0
107.04936	5.6
107.08612	21.3
109.06509	10.1
109.10143	12.8
111.08077	2.8
111.11703	1.8
115.05413	2.2
117.07012	9.5
119.08584	28.4
121.06493	5.0
121.10152	7.5
123.08080	9.0
123.11710	6.3
125.09644	1.4
127.07580	2.5
128.06219	3.3
129.06158	1.7
129.07018	17.4
130.07755	1.5
131.08588	3.6
133.06488	3.4
133.10124	13.0
134.99664	1.3
135.08041	1.4
135.11687	3.0
137.02240	1.1
137.13226	1.6
142.38383	1.2
143.08574	8.3
145.10139	10.5
147.08049	3.8
147.11687	42.3
149.13310	1.4
157.10065	1.3
159.11798	1.4
161.09627	5.6
161.13254	12.1
171.11696	29.1
189.12781	7.7
207.13838	10.7
220.52422	1.2
232.63008	1.2
257.68274	1.2
281.07904	2.0
281.17557	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01859	4.9
55.05509	36.7
56.96566	2.3
57.03185	2.1
57.03439	29.4
57.07069	3.6
65.03933	6.5
67.05503	88.7
69.03432	3.6
69.07067	17.9
69.97066	6.9
71.04987	3.5
71.08627	1.8
71.40850	1.4
72.08161	2.3
73.06567	3.3
79.05491	100.0
81.03411	13.3
81.07055	67.9
83.04981	30.3
83.08629	11.7
85.02866	1.8
85.06540	6.0
91.05481	65.5
93.07040	74.8
95.04974	33.3
95.08602	41.9
97.06521	6.1
97.10169	4.6
98.20741	1.5
98.97496	1.7
103.05444	2.0
105.07027	48.6
107.04951	5.4
107.08599	18.5
109.06506	7.7
109.10148	12.4
111.08073	2.8
115.05462	1.8
116.98632	2.2
117.07005	11.9
119.08578	28.4
121.06512	4.2
121.10131	7.4
123.08061	9.2
123.11691	4.2
127.07529	1.8
128.06229	4.0
129.07005	19.5
130.07874	1.9
131.08578	2.8
133.06483	1.8
133.10112	16.6
134.99692	1.9
135.08023	1.9
135.11694	3.6
137.09637	3.1
143.08575	12.6
145.10110	14.0
145.18628	1.3
147.08107	3.3
147.11685	36.9
159.11694	1.8
161.09628	6.4
161.13260	15.6
163.11131	1.8
163.14931	1.3
171.11667	25.0
179.14230	1.5
189.12764	10.0
207.11850	2.1
207.13699	11.2
210.00629	1.3
264.19437	1.7
267.00131	1.6
277.00845	1.6
281.10458	1.8
281.17413	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02377	1.8
53.03950	9.7
53.05169	1.2
55.01866	5.3
55.05513	38.6
56.96561	1.8
57.03442	26.5
57.07076	10.4
59.47002	1.2
65.03944	6.1
67.05509	92.7
69.03429	3.0
69.07071	29.0
69.75313	8.3
71.04990	4.7
71.08630	5.7
73.06554	2.1
77.76540	1.2
79.05497	100.0
81.03423	14.9
81.07061	84.7
81.07446	0.8
83.04989	34.0
83.08620	16.1
85.02891	2.1
85.06557	5.0
85.10191	3.7
91.05486	72.7
93.07047	70.9
95.04974	27.3
95.08611	53.9
97.02906	2.8
97.06539	5.9
97.10173	10.8
97.21226	1.2
99.08102	3.7
103.05491	1.9
105.07034	48.6
107.04955	11.3
107.08589	25.8
109.06519	9.5
109.10176	14.1
111.08109	2.9
111.11727	3.4
115.05424	2.7
117.07016	10.9
119.04950	1.2
119.08591	34.1
121.06532	6.7
121.10145	6.4
123.08083	10.2
123.11695	7.1
125.09615	1.6
128.06186	2.6
129.07011	21.5
131.08589	4.2
133.06497	3.4
133.10143	18.2
134.99678	1.7
135.08064	3.0
135.11690	3.8
137.09636	2.2
137.13252	2.2
142.07722	1.3
143.08568	11.0
145.10120	12.7
147.08031	3.1
147.11700	39.7
148.12114	1.4
151.14835	1.9
156.09273	2.4
159.11687	2.2
161.09627	7.4
161.13251	15.8
163.11163	2.2
169.10106	3.0
171.11679	27.6
179.14293	2.3
187.39079	1.2
189.12779	11.2
207.13818	11.9
263.23859	1.6
281.04556	1.5
281.07968	1.3
281.17435	37.0
281.22092	2.0
281.25439	1.3
281.28342	6.2
284.64301	1.3
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	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.09630	1.9
50.16499	1.8
52.49759	1.7
53.03951	11.4
55.01868	6.3
55.05263	3.2
55.05510	35.9
56.96546	2.2
57.03438	30.5
58.61856	2.0
59.21760	1.9
65.03942	4.8
67.05505	87.6
67.46409	2.3
69.03439	2.3
69.07065	17.8
70.67238	4.6
70.67616	3.9
71.04996	4.5
73.06559	2.8
79.05495	100.0
81.03430	18.9
81.07061	70.5
81.07475	1.2
83.04987	41.3
83.08617	10.4
84.02566	1.6
85.06549	5.2
88.42426	2.2
91.05484	76.1
93.07045	78.1
93.07635	4.2
95.04972	42.6
95.08608	42.4
97.02864	3.6
97.06537	7.7
97.10194	4.8
98.97581	2.6
103.05440	2.0
105.04514	2.4
105.07032	58.2
107.04974	11.3
107.08592	31.2
108.20747	2.0
109.06519	10.1
109.10156	9.4
111.08115	2.4
115.05456	3.2
117.06998	11.0
119.08592	34.9
121.06517	4.9
121.10119	5.9
123.08060	8.5
123.11720	2.3
127.07590	3.6
128.06253	3.2
129.06981	23.8
131.08612	4.3
133.06476	2.5
133.10124	17.9
135.11729	2.8
142.45496	1.8
143.08566	12.5
143.09544	1.9
145.10121	13.2
147.08145	3.1
147.11693	41.2
150.29211	1.9
151.11176	1.9
161.09637	6.4
161.13261	17.0
171.11717	34.8
189.12756	12.3
207.13831	18.0
281.17453	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
52.46532	1.7
53.03959	8.5
55.01856	7.0
55.05270	2.4
55.05509	39.2
56.96551	7.4
57.03432	25.8
57.07069	2.8
59.04988	2.2
65.03928	2.9
66.22375	1.6
67.05502	86.6
69.03407	4.0
69.07067	24.9
71.04979	7.0
71.15889	3.7
71.16243	1.9
72.08160	1.9
77.03940	2.2
79.05492	100.0
79.05956	5.0
81.03425	17.7
81.07056	70.5
82.40897	1.8
83.04975	32.5
83.08611	10.3
85.06534	4.1
91.05480	81.1
93.07041	79.5
95.04965	32.3
95.08607	43.8
97.02924	2.8
97.06517	7.0
97.10152	6.9
98.97590	4.8
105.07027	50.4
107.04940	12.4
107.08597	30.1
109.06510	8.9
109.10140	12.7
111.08032	2.5
111.40739	1.7
116.98620	3.9
117.07007	10.5
119.08578	34.2
121.06501	4.5
121.10146	8.1
123.08051	8.7
123.11705	4.4
127.07574	2.7
127.36640	1.8
128.06148	2.4
129.07007	20.0
131.08549	5.3
133.06480	2.6
133.10129	16.0
135.08025	2.7
135.11629	2.9
137.09671	2.4
137.13249	3.0
143.08574	8.3
145.10130	13.2
147.08061	3.1
147.11678	43.2
151.11166	2.0
156.09312	2.0
161.09599	6.0
161.13248	18.7
165.09122	2.0
171.11676	29.8
179.14375	2.6
189.12776	12.8
191.11984	3.7
194.12439	3.7
200.12465	4.2
207.13773	13.3
209.13023	2.4
221.13051	2.0
257.14072	2.4
272.14548	3.8
272.64648	2.1
279.35693	1.8
281.15054	6.9
281.17596	38.2
281.65237	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01875	5.0
55.05512	35.9
56.96561	2.2
57.03439	26.9
57.07059	2.5
65.03942	4.7
67.05507	85.4
69.03407	2.3
69.06734	1.0
69.07067	16.6
69.66228	7.6
71.04976	4.1
73.06564	2.1
79.05494	100.0
81.02978	1.6
81.03417	18.4
81.07057	67.9
83.04984	36.4
83.08621	11.2
85.02912	1.6
85.06508	5.1
85.10126	1.2
91.05482	70.1
93.07047	72.0
94.07327	1.2
95.04374	1.4
95.04977	30.1
95.08608	41.7
97.02875	1.9
97.06540	8.0
97.10195	5.9
98.21462	2.3
98.97565	1.3
105.07032	51.7
107.04955	9.4
107.08603	21.0
109.06523	10.8
109.10165	9.8
109.18212	1.0
111.08050	2.5
115.05455	1.9
117.07025	12.5
119.08587	36.9
121.06523	4.8
121.10151	7.9
123.08072	7.6
123.11689	1.6
125.09631	1.7
127.07568	2.0
128.06181	3.2
129.06160	1.3
129.07022	17.1
131.08531	4.0
133.06482	2.5
133.10132	15.3
133.74837	1.0
134.99660	1.8
135.08022	1.2
135.11662	3.9
137.02316	3.4
137.09564	1.7
137.13255	1.4
141.04341	1.0
141.07031	1.2
142.07758	1.3
142.69893	0.9
143.08577	10.5
144.80246	1.0
145.10135	11.6
147.08061	8.0
147.11693	40.9
159.11688	1.4
161.09628	6.4
161.13252	17.5
163.11118	1.4
165.09091	2.9
171.11699	32.0
177.12711	1.3
179.14232	1.7
189.12744	13.0
207.13803	14.3
223.14946	1.0
235.03958	1.2
251.03577	1.3
253.04849	3.0
263.16458	2.6
281.04492	25.6
281.07755	3.1
281.17435	42.5
282.04520	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03945	9.3
54.63316	2.2
55.01877	4.6
55.05510	34.7
56.96561	2.3
57.03442	29.6
62.44144	1.9
65.03934	3.6
65.79276	2.1
67.05508	82.3
69.07072	15.9
70.06625	1.8
71.04996	4.4
71.34216	4.0
74.86192	2.1
79.05495	100.0
81.03431	14.5
81.07054	66.4
83.04974	31.8
83.08625	8.3
85.06567	4.8
91.05482	65.9
93.07046	70.9
95.04973	33.3
95.08610	39.5
97.06550	3.6
97.10168	7.2
97.46007	1.9
105.04507	2.3
105.07034	47.2
107.04969	9.4
107.05627	2.2
107.08599	17.2
109.06518	9.5
109.10133	9.4
111.08086	2.3
117.07036	9.6
119.08583	36.7
121.06532	2.0
121.10160	5.2
123.08071	9.9
127.07587	2.5
128.06221	3.4
129.07013	21.8
131.08582	3.8
133.10146	16.5
135.11639	3.1
143.08545	13.4
145.10097	12.6
147.08124	3.7
147.11679	36.2
156.09311	2.4
161.09668	6.5
161.13283	16.4
171.11699	31.3
189.12790	8.2
203.94475	2.0
207.13721	12.7
250.98840	2.3
267.72424	2.3
281.17404	39.1
282.61224	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	9.0
55.01866	5.8
55.05511	41.1
56.21778	1.6
56.28649	1.5
57.03439	33.8
57.07077	4.3
57.29261	1.7
65.03926	6.3
66.06251	1.6
67.05507	84.7
69.03415	2.7
69.07067	15.3
71.04993	3.9
71.08616	1.8
71.10844	2.7
71.11162	2.5
73.06563	4.1
77.03883	2.7
79.05495	100.0
81.03428	19.3
81.07056	69.9
83.04977	34.1
83.08620	12.1
85.06541	3.5
88.63554	2.0
91.05484	71.8
93.07043	73.8
93.84289	2.0
95.04974	33.7
95.08607	44.4
96.50959	1.9
96.88584	1.7
97.06533	8.6
97.10159	6.7
105.07025	52.2
107.04943	7.6
107.08599	21.6
109.06519	9.8
109.10169	9.2
117.06990	8.1
119.08586	30.8
121.06480	3.3
121.10122	4.3
123.08031	10.2
128.06190	2.5
129.07018	15.1
131.08548	3.9
132.21002	1.7
133.10104	16.1
135.11700	4.0
143.08533	10.0
145.10129	10.2
147.08061	2.8
147.10521	2.3
147.11694	41.2
161.09612	5.5
161.13249	15.1
163.68086	1.9
171.11699	30.9
179.14362	2.0
189.12730	11.0
207.13860	10.9
258.75269	1.7
277.00925	2.5
281.17493	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	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03947	7.6
55.01858	3.9
55.05268	2.3
55.05507	31.6
55.54650	1.3
57.03433	27.4
57.07059	5.6
65.03938	2.6
67.05500	82.8
68.05836	1.4
69.07066	21.5
69.40412	14.6
71.04971	4.6
71.08621	2.2
73.06543	2.7
79.05489	100.0
81.03406	15.1
81.07050	76.2
83.04977	31.6
83.08620	11.6
85.06525	1.4
85.99927	1.5
88.20083	1.4
91.05474	69.2
92.05768	1.7
93.07039	70.3
95.04961	29.4
95.08598	44.5
97.02863	2.3
97.06512	6.4
97.10159	7.4
98.21560	2.8
99.08081	1.9
103.05417	2.5
105.04540	1.5
105.07021	49.4
107.04935	7.7
107.08585	20.5
109.06528	8.9
109.10139	9.6
111.08101	2.3
117.06998	9.1
119.07798	2.2
119.08584	32.8
121.06487	3.8
121.10115	6.4
123.08048	7.0
123.11721	2.9
125.05959	1.8
127.07494	1.5
128.06198	4.5
129.06999	16.4
131.08534	3.4
133.10109	15.5
135.11668	2.6
137.09686	1.3
141.77542	1.4
143.08556	10.5
145.10107	9.9
147.08018	3.1
147.11685	31.2
151.02673	1.5
161.09583	4.3
161.13248	15.0
171.11681	28.0
179.14240	1.4
189.12741	8.8
207.13802	11.2
261.11307	1.5
281.17453	31.6
281.22260	1.8
282.17804	1.9
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
51.14304	2.5
53.03930	9.4
55.01857	6.8
55.05512	36.9
56.17867	2.5
57.03438	39.1
57.18267	2.9
58.72438	2.7
65.03924	5.9
67.05505	100.0
69.03412	2.9
69.07064	19.9
71.04983	5.1
71.60879	3.3
71.61245	2.9
76.67760	2.7
79.05497	97.1
81.03421	16.6
81.07061	64.7
83.04988	33.0
83.08608	11.2
83.73522	2.9
91.05483	73.3
93.07043	81.9
95.04963	34.4
95.08612	44.5
97.06544	6.3
97.10180	7.3
105.07035	58.1
107.04955	5.7
107.08598	22.7
109.06507	8.2
109.10151	9.1
117.07027	10.9
119.08591	29.3
121.06548	2.7
121.10157	3.9
123.08073	8.9
125.39099	2.9
127.91232	2.7
129.07004	21.7
131.08614	3.2
133.10121	14.6
143.08565	10.3
145.10121	12.9
147.08055	3.4
147.11685	36.5
156.09560	2.9
161.09563	5.5
161.13248	16.7
163.11093	3.1
163.13454	2.9
167.09039	2.8
171.11685	29.1
189.12729	9.8
207.13834	8.2
227.11998	3.1
245.52394	2.9
281.17590	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	1.7
54.54757	0.3
55.01883	0.3
55.04248	2.6
55.05499	0.4
56.96556	0.6
57.03430	0.5
57.07070	0.3
67.05504	0.6
67.78126	0.3
69.03413	0.6
69.59479	0.3
70.02970	0.4
70.06599	0.3
70.74419	0.3
70.74774	0.9
72.08138	0.5
75.73869	0.3
80.05018	0.3
81.04537	12.4
81.07066	0.6
82.05320	8.1
83.04974	0.4
85.02903	0.5
91.05444	0.4
95.04971	0.4
95.08604	0.7
97.07652	0.5
100.11234	0.6
105.07020	0.4
108.05591	0.7
110.07220	0.6
115.05444	0.3
120.08153	0.4
122.07152	20.4
123.07931	100.0
124.08290	0.9
136.06189	3.0
140.08200	0.5
143.04948	0.4
147.04449	0.5
160.04311	0.8
161.06065	0.6
162.04077	1.0
163.03876	0.5
165.07729	6.6
167.92755	0.3
199.11613	0.3
217.05042	0.8
236.12808	0.3
251.09666	0.4
263.13245	0.4
281.10666	68.3
282.10889	0.9
299.06229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.6
56.05029	1.1
56.96560	1.4
57.07059	0.6
67.05496	0.6
69.03423	0.7
69.07058	0.8
70.02950	1.2
70.06590	1.2
70.24419	1.4
70.24813	0.9
72.08143	0.5
74.06087	2.7
79.05485	0.6
81.03412	0.5
81.07032	1.4
84.04510	1.2
84.08141	0.5
85.02892	0.9
86.09715	0.5
88.03976	2.8
91.05450	1.2
93.07059	0.9
94.04060	0.6
95.04974	0.6
95.08615	0.9
98.97585	1.0
102.05540	1.1
103.05441	1.2
105.07036	0.9
109.06516	0.6
113.05998	0.5
116.07150	0.4
116.98605	0.6
119.03561	4.3
119.08537	0.6
120.06611	7.4
120.08102	13.3
121.08435	0.5
123.07922	0.7
123.11737	0.5
130.06505	1.1
131.04953	0.7
133.06514	0.6
134.99690	0.8
136.06187	100.0
137.04607	4.0
137.06573	0.6
147.04396	0.5
150.07765	2.5
150.73869	0.4
162.04115	56.6
163.04347	0.7
166.08630	3.5
167.03407	0.6
170.43967	0.5
172.07507	0.6
175.08711	1.5
182.06155	0.6
200.07144	1.6
221.09300	0.7
235.10814	2.5
246.07646	1.1
267.00079	0.7
278.98141	0.5
281.09955	7.9
281.15097	1.6
283.03125	1.0
299.06235	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01866	0.9
55.05511	10.5
56.05030	2.5
56.96568	2.0
57.03431	2.5
57.07075	3.1
58.02959	0.9
60.04520	1.6
61.02916	0.7
62.06090	100.0
65.03962	1.5
67.05507	26.8
68.05020	2.0
69.03427	3.8
69.07072	8.8
70.02943	0.8
71.05000	1.2
71.08640	1.1
71.19730	1.8
79.05495	19.9
80.05019	1.2
81.03412	1.4
81.07058	28.0
82.06583	5.4
82.07403	1.2
83.04990	2.8
83.08609	4.5
85.02921	1.8
85.06543	1.1
86.06081	2.2
91.03953	1.0
91.05476	14.1
93.07048	16.9
94.06586	2.3
95.04988	3.4
95.08601	19.9
95.09159	1.2
96.08961	0.7
97.06546	1.8
97.10168	1.7
98.06074	1.9
99.04468	0.8
100.07659	1.1
105.07042	6.4
107.08597	17.3
109.06545	1.0
109.10152	8.3
111.04457	0.7
111.08105	1.1
111.11761	0.8
112.07584	0.9
117.07036	3.8
119.08580	7.1
121.10146	10.4
121.67350	0.7
122.09735	0.9
123.08080	1.2
123.11747	2.7
131.08569	6.0
133.10127	4.7
135.08049	6.5
135.11693	7.9
137.09663	1.5
137.13261	0.9
144.10231	0.8
145.10114	3.7
147.04407	0.8
147.11720	1.7
149.02434	2.4
150.02707	2.9
159.04454	0.8
159.11749	2.6
168.11501	0.9
172.13359	0.9
173.13309	1.2
175.14809	1.0
186.15038	1.0
201.16379	7.4
219.17525	3.3
250.25380	3.3
262.21790	2.3
262.25436	2.5
263.20203	3.0
280.22928	20.5
280.26468	55.5
297.01379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1907
Annotation	Lycoposerramine P
Peak:m/z	Relative Intensity
53.03937	1.6
55.01868	5.7
55.05508	5.4
56.96564	2.8
57.03439	3.0
62.63192	1.2
67.05507	6.9
69.03419	8.4
69.07064	4.9
70.06600	9.1
72.53580	1.6
79.05493	12.9
81.07060	6.0
83.04974	1.4
86.06065	46.6
87.04442	2.6
91.05499	7.9
93.07045	46.0
93.07643	2.4
93.75658	1.4
95.04955	3.1
95.08609	3.0
97.06539	5.2
97.64552	1.3
98.06050	54.7
104.25272	1.3
105.07023	6.9
107.04931	5.9
107.08585	24.6
109.06523	1.8
109.10126	1.4
117.07018	3.6
119.08555	1.4
121.06500	5.2
121.10127	4.9
122.09634	1.4
129.07001	1.3
131.08554	7.2
133.10191	2.2
135.08047	10.7
135.11685	40.8
144.09450	1.5
145.33463	1.3
147.28056	1.3
148.07526	1.7
148.08737	1.3
149.02374	5.5
149.09621	19.6
149.13240	5.2
150.02695	4.7
158.40985	1.4
159.11691	9.4
162.12901	1.5
164.10710	2.0
165.79446	1.2
176.10814	1.5
177.12741	100.0
190.12296	15.8
194.15451	2.7
206.15416	9.9
215.13324	1.4
220.13287	1.5
220.16905	7.8
234.18536	5.8
234.92160	1.8
244.16933	16.5
262.18018	63.5
263.18411	2.0
280.19034	16.4
281.04486	16.4
297.14465	1.5
299.11703	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	280.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
55.05497	1.2
56.96555	0.8
58.99564	0.6
66.80792	0.4
67.05497	1.1
69.07054	1.2
70.06571	0.8
71.61124	0.4
72.08098	0.4
79.05476	1.4
81.07053	2.9
83.04984	0.3
84.08104	0.5
85.02912	0.5
85.06513	0.4
87.02688	4.7
89.04224	0.5
91.05488	0.7
93.07009	0.8
95.08586	1.2
96.08921	0.7
97.02895	0.6
98.97546	0.9
105.07029	1.3
107.08588	0.5
108.04456	1.2
109.10170	0.8
110.10497	0.4
115.74121	0.3
116.98598	0.8
118.06520	2.3
119.07340	1.1
119.08540	0.4
120.08106	7.7
121.08046	0.6
121.08887	8.7
122.09675	3.9
130.06554	0.8
132.08098	3.3
133.08876	1.4
134.09680	2.5
134.99596	0.7
135.10390	0.3
144.08112	0.7
145.08856	2.4
146.09644	20.0
147.10445	3.6
148.11203	18.9
149.02330	1.1
150.02661	1.1
159.10411	0.6
160.11217	2.1
161.11945	1.0
166.06898	0.3
167.03441	1.8
172.11185	0.7
173.09291	0.3
174.09245	0.5
174.12755	5.1
175.03909	0.4
176.14340	11.5
177.00681	0.6
177.07980	0.3
179.09406	0.4
188.10754	0.4
192.10207	2.1
202.15781	0.3
204.17464	0.4
208.11552	13.5
209.93713	0.4
210.05789	2.9
219.09563	0.4
233.04320	0.6
234.14862	0.7
236.14676	15.9
236.19827	0.6
237.10634	1.2
245.04700	0.4
262.10779	0.4
275.96970	0.4
280.13647	100.0
281.13959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
50.86979	0.4
53.03940	1.3
55.05513	10.2
55.18924	0.4
57.03431	1.0
57.07073	3.2
65.03942	2.6
67.05505	98.6
69.03420	0.6
69.07070	10.8
71.04999	1.8
71.08623	0.7
73.06564	0.5
79.05492	14.4
81.07057	100.0
82.07391	0.8
83.04970	0.9
83.08628	4.9
85.06551	1.1
91.05485	6.5
93.07047	14.0
95.04974	1.7
95.08607	81.2
96.08934	0.6
97.06532	1.6
97.10171	3.2
99.08121	0.6
101.06002	0.6
105.07021	3.5
106.43326	0.5
107.08597	8.5
109.06536	1.2
109.10155	44.8
110.10532	0.5
111.08112	1.1
111.11760	1.1
117.07038	1.7
119.08566	3.2
121.02888	0.7
121.10131	7.8
123.08088	1.4
123.11711	22.3
127.11135	0.9
131.08574	4.5
133.10175	3.4
135.08041	1.0
135.11707	5.6
137.09584	1.1
137.13257	8.4
137.14268	0.8
139.11064	0.6
145.10152	2.8
147.11687	3.2
149.02348	7.8
149.09615	1.5
149.13266	2.6
151.11244	1.0
151.14804	2.5
153.09076	0.6
159.11661	2.7
161.13254	1.4
163.11191	1.7
163.14818	2.1
165.12756	1.6
165.16353	1.0
167.10686	1.3
173.13254	3.5
177.12770	1.2
177.16389	1.0
179.14348	1.0
181.12256	1.3
187.14832	2.6
191.14391	1.0
195.13837	2.2
201.16388	0.7
205.15839	1.6
209.15381	2.7
219.05733	0.8
219.21028	0.9
223.16867	3.6
237.18498	1.4
243.21138	4.1
261.22086	4.1
269.49170	0.5
279.19861	2.3
279.23193	34.6
280.23492	1.0
280.26263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03925	1.5
55.05510	7.4
57.07053	1.6
65.03936	1.5
67.05504	97.5
68.05834	0.9
69.07060	8.0
70.93928	1.2
70.94275	1.8
79.05489	9.9
79.65614	0.9
81.03410	1.1
81.07056	100.0
82.15177	0.9
83.08617	4.3
83.48280	0.9
85.06554	1.0
86.80131	0.8
91.05474	3.7
93.07053	7.0
95.04975	1.3
95.08604	77.3
97.10170	2.8
105.07016	3.2
107.08595	7.3
109.06519	1.2
109.10155	47.7
111.11722	1.6
119.08595	3.1
121.10139	6.0
123.08024	1.4
123.10809	1.8
123.11704	32.6
124.12047	0.8
126.11786	0.8
131.08548	3.4
133.10117	3.3
135.11673	4.9
137.09653	1.6
137.13248	11.7
145.10086	1.6
147.11687	2.1
149.02325	4.0
149.09593	1.1
149.13245	2.7
151.14804	3.2
159.11725	2.5
161.13271	2.0
163.11166	1.2
163.14816	1.4
165.12790	0.9
167.10709	1.3
173.13280	3.6
177.12767	1.4
181.12245	2.0
187.14790	2.1
191.14297	1.3
195.13814	3.0
205.15958	1.0
209.15369	3.5
219.21024	1.3
223.16931	3.3
237.18489	2.0
243.21065	1.8
261.22241	4.6
267.46832	0.9
279.16068	4.8
279.23193	48.6
280.23505	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1703
Annotation	Leu Phe
Peak:m/z	Relative Intensity
53.56130	0.3
53.64209	0.3
54.46019	0.3
55.05502	0.5
56.05031	0.6
56.96567	0.7
57.05810	0.4
57.07065	1.2
58.56695	0.3
63.11756	0.3
64.68797	0.4
67.05489	0.9
69.03445	0.4
69.07072	12.2
70.06571	0.5
71.60243	0.6
72.08160	0.5
79.05493	0.7
81.03419	0.4
81.07066	0.6
83.04957	0.3
84.08145	0.5
85.02881	0.7
85.06547	0.4
86.09709	100.0
87.10033	0.5
89.06046	0.5
91.05487	1.2
93.07043	0.4
95.08609	0.6
97.02899	0.4
97.06550	0.4
98.97584	0.8
103.05513	0.6
104.82104	0.3
105.07018	0.7
108.08076	0.3
109.06572	0.4
116.98633	0.6
119.04968	0.6
120.08109	7.4
121.02913	0.6
131.08537	0.4
134.99704	0.5
137.06006	0.3
137.72121	0.4
145.06503	0.4
145.10216	0.4
146.99666	0.5
147.04442	0.9
148.04779	0.4
149.02356	10.8
149.06018	0.3
155.30098	0.4
159.07947	0.3
166.08649	5.1
167.03427	0.4
177.00723	0.6
191.08638	0.4
219.07980	0.3
233.16615	0.5
251.10706	0.5
279.06528	0.8
279.09366	0.7
279.17310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
52.57942	0.4
53.03970	0.5
55.05524	0.6
56.96556	0.5
57.07074	1.5
69.03418	0.5
69.07053	0.9
70.59615	1.2
71.04988	0.6
79.05493	0.8
84.08141	0.7
85.02907	1.0
85.06525	0.5
86.09708	100.0
87.10033	0.7
91.05494	1.3
93.07042	2.0
95.04980	0.6
95.08598	0.4
97.02852	0.5
98.97585	1.1
99.04459	1.0
103.05474	4.6
105.07045	0.9
107.08622	0.7
116.98606	0.6
117.07037	0.4
120.08109	74.7
121.02916	0.6
121.08453	1.0
131.04980	0.7
132.10205	1.4
133.57693	0.4
134.99675	0.6
147.04391	0.5
149.01164	0.6
149.02341	9.7
166.08652	9.5
169.56741	0.4
175.98672	0.4
219.07974	0.4
229.13297	0.6
233.16464	1.3
261.15005	0.4
279.08948	1.2
279.17020	4.5
279.21558	1.0
297.11160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	9.8
57.03431	2.2
57.07046	1.9
58.06592	6.3
59.06110	2.4
69.03427	3.0
70.56274	1.5
71.04974	1.6
71.58640	1.9
72.28455	1.7
77.26767	1.6
81.03415	4.9
81.77983	1.6
84.08136	3.8
85.02904	5.8
86.95439	1.5
88.05671	1.7
94.92998	1.9
97.06602	2.4
98.97580	78.9
99.09209	1.9
104.10728	6.6
109.02872	9.0
110.97571	7.8
112.89588	3.9
114.89317	4.4
116.98618	70.0
119.01942	2.7
121.01669	12.6
128.98590	17.7
131.00177	1.6
134.99664	53.6
135.03207	1.7
136.94002	5.6
139.02710	4.9
146.99648	18.9
147.03156	2.6
149.01245	3.3
149.02347	13.4
150.99146	1.9
153.00685	9.0
158.99652	28.7
159.03194	7.2
161.01167	3.8
161.02986	2.1
162.01964	1.9
163.02742	7.2
165.00650	3.2
170.99657	5.7
177.00717	100.0
177.04207	5.7
184.56741	2.0
187.02705	3.2
189.00716	25.9
191.02267	1.9
193.00235	2.5
195.01758	13.9
200.02258	4.1
201.04224	2.5
205.03806	4.7
207.01772	16.5
219.01756	9.2
219.05357	3.0
220.69731	1.9
221.01886	6.5
237.02789	14.0
255.03867	10.8
277.07574	3.5
279.01379	10.2
279.04654	33.8
279.07581	16.6
279.15497	29.1
295.08618	3.8
297.04910	5.4
297.08658	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05512	33.9
56.96564	1.1
57.07077	3.3
58.98204	0.9
58.99586	19.1
61.01139	1.0
69.03429	1.2
70.06582	1.2
73.01136	1.8
76.02238	5.3
76.04010	3.2
79.05504	1.5
81.07056	1.7
83.08620	31.0
84.08131	1.1
86.09688	1.3
86.13154	0.9
86.99062	15.6
87.04478	0.9
88.02218	4.7
89.06073	1.1
90.80887	0.8
91.05452	1.3
93.07050	1.6
95.04948	1.2
97.02876	1.6
98.20800	2.3
98.97569	1.5
101.09676	1.3
102.84607	1.0
103.05502	1.1
105.07024	1.5
107.08572	1.0
107.30471	0.8
116.01678	57.3
116.98605	1.3
117.03349	1.1
117.07059	0.8
119.00175	0.8
121.02899	2.0
128.98558	1.3
129.07065	0.9
131.04950	1.7
133.10118	0.9
134.18645	0.8
141.87198	0.9
144.01146	26.6
145.06483	2.1
147.04468	1.1
149.02344	21.6
159.08411	6.8
161.01295	1.0
162.02202	100.0
177.00618	1.1
177.05463	2.3
177.06981	1.1
178.05847	0.9
191.03860	0.8
191.07112	1.1
192.04836	0.9
205.06635	5.4
221.08250	1.1
233.05907	5.4
251.07047	1.2
261.05377	0.9
261.11029	0.9
262.11072	18.0
262.13611	1.4
279.06488	5.4
279.09204	1.4
279.13739	2.2
279.17651	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	277.216
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.47121	1.2
52.59553	1.4
53.03931	4.3
55.01864	2.8
55.05506	19.6
57.03436	18.8
57.07074	9.3
65.03919	2.1
67.05503	50.2
68.10600	1.5
69.07071	15.9
70.88363	4.4
71.05015	3.1
71.08277	1.3
71.08616	8.8
76.10297	1.4
79.05488	65.1
81.07055	54.7
83.04968	3.6
83.08607	11.2
85.06525	5.7
87.30116	1.6
91.05476	38.0
93.07043	95.6
95.04957	10.6
95.08604	50.2
97.06516	6.2
97.10135	3.3
99.08107	8.3
105.04464	1.7
105.07026	27.6
107.04958	2.6
107.08590	58.3
109.06523	8.9
109.10150	15.5
111.08060	5.0
113.09643	1.7
117.07014	7.6
119.08573	20.9
121.10144	49.8
123.08062	5.4
123.11674	3.8
125.09617	3.4
129.07021	2.3
131.08585	11.7
133.10117	15.8
135.11682	42.9
137.09602	6.0
141.09090	1.7
143.08534	3.4
144.82188	1.5
145.10098	14.5
147.11705	13.2
149.09584	3.8
149.13268	22.8
151.11157	5.7
159.11688	7.7
161.13263	7.3
163.11168	5.0
163.14807	5.8
165.12723	2.9
171.11723	6.1
173.13263	2.4
175.14798	5.6
177.12721	1.6
179.10689	4.0
179.14282	8.7
181.12355	1.8
185.13237	4.9
187.14815	15.8
195.13699	2.1
205.15834	9.8
207.13774	2.2
221.15329	2.9
221.18973	4.1
221.49315	1.5
235.16916	14.6
241.19417	7.2
253.31358	1.5
256.28836	1.5
259.20535	14.3
277.18115	10.8
277.21609	100.0
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
53.03931	4.9
54.20501	1.3
54.72677	1.4
55.01867	2.7
55.05513	20.9
56.96555	2.2
57.03439	2.7
57.07077	7.0
67.05505	42.1
69.07063	19.5
69.08725	1.1
70.66254	4.6
71.04964	3.5
71.08607	3.0
72.53088	1.4
79.05491	79.5
81.03455	1.4
81.06593	2.6
81.07056	47.1
83.04961	3.0
83.08604	9.1
85.06503	2.1
91.05477	34.4
93.07042	100.0
95.04968	11.6
95.08602	31.4
97.06523	3.4
97.10143	5.7
105.07023	17.5
107.08593	58.0
107.43111	1.3
109.06509	5.2
109.10154	18.4
111.08083	3.3
117.06999	6.0
119.08583	15.6
121.10142	47.4
123.08069	1.6
123.11675	5.1
125.09599	1.9
129.06981	2.1
131.08585	5.6
133.10126	15.2
135.08067	2.0
135.11687	53.1
137.09654	1.9
139.07544	1.5
143.08559	2.2
145.10167	3.2
147.11685	10.4
148.73706	1.4
149.02301	1.8
149.09619	2.2
149.13260	22.7
151.11205	2.0
157.10097	2.5
158.49316	1.3
159.11664	4.7
161.09596	1.7
161.13254	6.7
163.11133	3.3
163.14813	7.6
171.11691	3.1
172.75722	1.2
173.13257	3.9
173.60411	1.3
175.11256	1.4
175.14815	3.3
177.12750	2.2
179.10701	2.9
179.14282	1.5
181.12117	1.7
185.13371	3.0
187.14865	1.5
189.12779	2.5
191.08183	1.4
191.14116	1.3
195.13802	2.1
195.23337	1.3
199.14729	2.3
205.92567	1.3
207.13773	2.1
221.15347	3.6
231.17422	1.6
235.16914	11.2
241.19487	2.3
251.50571	1.5
259.20605	5.6
277.13742	1.9
277.18143	6.1
277.21616	78.3
278.21964	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	19.6
62.17796	8.6
65.20071	9.9
69.03448	11.6
71.58363	12.6
71.58846	10.8
74.06052	10.7
74.37782	8.1
84.08155	17.3
97.02901	19.9
98.97579	36.1
101.00900	32.9
106.77732	10.6
116.98608	12.8
119.01914	79.5
131.01862	23.1
137.02965	20.0
143.01886	25.3
143.78609	9.3
145.03429	17.1
146.99730	13.0
149.69537	9.1
154.08629	10.7
155.01903	12.9
157.03453	27.4
161.02953	100.0
166.04330	10.3
173.02962	16.7
175.04517	26.0
176.08075	16.2
176.63524	9.6
179.03830	9.4
180.42683	9.4
185.02922	14.0
187.04474	13.6
197.02956	12.2
201.08821	29.8
203.04037	15.7
237.02780	18.3
245.05176	43.7
255.65436	9.9
277.03174	36.5
277.07458	67.7
277.11993	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	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03937	4.9
55.05515	19.7
57.07073	2.5
57.61564	2.0
61.88062	1.4
67.05507	29.0
69.07084	14.3
69.31697	16.4
71.04989	2.8
77.03893	1.8
79.05497	75.3
81.07059	34.0
83.04990	3.6
83.08620	9.6
85.06564	1.9
91.05487	29.6
93.07046	100.0
95.04967	11.0
95.08610	25.9
97.06505	2.9
97.10182	3.9
98.21590	3.4
105.04494	1.8
105.07032	13.0
107.08601	55.2
109.06500	2.5
109.10159	11.8
117.07045	3.0
119.08571	12.0
121.10149	45.4
123.08091	2.2
123.11684	2.2
131.08575	4.6
133.10152	13.2
134.06265	1.7
135.11705	51.4
145.10176	3.1
147.11673	6.8
149.13272	24.8
157.10110	2.5
159.11673	3.2
161.09615	1.8
161.13268	4.6
163.14841	5.6
173.13214	1.9
175.14822	2.8
181.12135	2.0
185.13202	2.8
199.14726	1.8
207.13768	1.9
235.17000	3.9
259.20697	3.8
277.21637	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.05511	19.3
57.07066	6.1
65.03947	1.8
67.05167	2.4
67.05503	32.7
69.06772	1.5
69.07067	16.9
69.34860	14.1
71.04991	3.4
71.08627	2.9
79.05491	76.8
81.07058	38.3
83.04992	3.4
83.08611	5.9
85.06545	2.0
91.05481	29.1
93.07043	100.0
95.04965	10.7
95.08604	28.2
97.06528	2.2
97.10164	3.1
105.07027	16.4
107.08598	51.1
109.06529	3.8
109.10151	12.9
114.56345	1.5
117.07041	4.0
119.08564	12.1
121.06585	1.8
121.09314	2.7
121.10148	45.7
123.08063	2.0
123.11706	4.0
125.09684	2.8
129.07022	2.3
131.08516	3.2
133.10107	11.0
135.08080	1.8
135.11690	52.5
145.10155	3.6
147.11702	9.3
149.09590	1.6
149.13257	22.3
151.11165	1.6
159.11681	2.8
161.13257	3.9
163.14838	3.2
171.11697	3.3
173.13232	1.5
175.14801	2.0
179.10736	2.4
179.14276	2.4
180.13103	1.5
181.12256	2.2
185.13283	2.3
195.13866	2.7
207.13799	3.0
213.16277	2.1
221.15439	3.3
235.16904	7.8
241.19327	1.7
259.20547	3.9
277.21631	67.7
292.02261	1.4
292.19220	1.7
293.20581	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03941	3.2
55.01871	1.0
55.05507	17.1
57.07061	1.7
65.03944	2.3
67.05504	31.3
69.07063	13.6
70.04291	3.9
71.04996	2.2
77.03909	1.5
79.05490	72.8
81.07053	35.6
83.04974	2.3
83.08624	6.4
85.06534	1.7
87.35699	0.8
91.05478	26.7
93.07039	100.0
95.04969	8.7
95.08607	22.4
97.06561	1.4
97.10162	3.8
98.20771	1.1
100.88770	0.8
105.04504	2.1
105.07027	15.6
106.96084	0.8
107.08590	50.1
108.08891	1.0
109.06525	2.0
109.10150	12.0
111.08124	0.7
116.12500	0.7
117.07011	2.5
119.06107	1.1
119.08570	11.5
121.10139	40.5
123.08045	1.4
123.11709	3.8
125.09614	1.2
129.06975	2.7
131.08580	4.0
133.10135	11.4
135.11685	59.2
137.09618	0.8
143.08540	2.1
145.10118	3.3
147.11656	6.3
149.09650	2.0
149.13258	24.5
151.11118	1.0
157.10110	1.4
159.11667	3.6
161.09688	1.2
161.13275	3.5
163.11154	1.3
163.14827	6.6
167.10683	1.1
171.11679	2.2
173.13251	2.0
175.11230	1.5
175.14851	1.6
177.12648	1.2
185.13225	1.6
189.12801	0.9
193.12242	1.1
195.13811	1.4
199.14864	1.7
201.34206	0.9
203.14363	0.8
207.13805	2.2
213.16382	2.1
217.19580	0.9
221.15338	3.2
235.16895	4.4
241.19476	1.3
259.20636	3.6
277.21616	61.8
278.21997	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2731
Annotation	Kaurane
Peak:m/z	Relative Intensity
53.03957	2.6
55.05508	16.1
57.07076	9.0
64.22805	1.8
67.05499	31.7
69.07068	27.2
71.08626	3.7
71.60766	2.7
79.05482	14.8
81.07056	100.0
83.08605	12.6
91.05471	13.9
93.07040	16.4
95.08602	92.6
95.81226	1.8
97.10151	7.1
105.07040	17.8
107.04982	2.6
107.08585	17.7
109.10154	55.1
111.11726	6.0
117.07008	4.3
119.08558	9.5
121.10157	12.5
123.11700	22.3
131.08545	4.4
133.10121	7.5
135.08080	2.3
135.11670	10.1
137.13219	8.3
145.10106	3.6
147.11591	4.0
149.13246	7.6
151.14824	3.7
159.11606	2.9
163.14835	6.3
165.16351	2.3
173.13264	1.7
177.16486	2.1
205.19507	2.1
212.09436	1.9
219.21111	2.0
231.99022	1.9
275.17294	2.9
275.20093	27.5
275.27383	41.2
276.20483	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1959
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05517	1.1
57.03433	0.7
59.05004	2.8
62.19130	0.2
65.59901	0.2
67.39550	0.2
73.06570	0.3
91.05474	0.4
93.07076	0.3
105.07056	0.3
106.06512	0.2
118.06544	15.9
119.07327	0.6
126.81218	0.2
132.08093	6.0
133.08879	2.4
134.09683	1.3
145.10060	0.3
146.09647	4.8
147.10429	0.4
148.11177	0.3
160.11244	0.5
161.12033	0.4
176.14351	65.7
177.14700	0.9
216.13797	0.3
216.17421	0.3
218.11876	0.3
232.13307	0.6
233.14081	0.4
234.14861	0.3
276.19586	100.0
277.19958	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	selenoneine
Peak:m/z	Relative Intensity
52.56800	10.3
56.13118	12.5
69.61472	84.2
104.76624	11.5
119.01906	14.7
157.03477	15.8
158.01926	12.0
161.02960	14.0
175.04742	12.4
210.33398	13.0
225.44211	10.5
277.03195	100.0
277.07568	23.8
295.08801	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	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.37012	0.9
53.03940	3.2
55.01862	3.5
55.05509	15.3
55.95919	0.9
57.03433	2.8
57.07071	1.2
60.68554	0.9
64.13913	0.8
65.03930	1.3
67.05176	1.7
67.05507	27.6
69.03423	1.5
69.07072	10.4
71.04984	3.3
79.05062	1.7
79.05494	23.9
81.03428	1.7
81.07057	31.4
83.04972	3.5
83.08630	5.6
85.02918	0.9
91.05481	38.7
93.07043	24.4
95.04989	5.4
95.08607	15.0
97.06512	3.6
97.10166	2.6
103.05479	2.0
105.07031	51.3
107.04945	6.4
107.08593	15.7
107.83452	0.9
109.06497	7.3
109.10165	6.5
111.08128	0.9
115.05434	1.5
117.07000	12.8
119.08579	36.2
121.06506	4.6
121.10146	10.7
123.08058	6.1
125.09606	1.2
129.06982	3.5
130.07826	1.1
131.08582	15.1
133.06519	1.2
133.10138	35.3
135.08051	8.1
135.11687	4.9
137.09605	3.6
143.08560	2.7
145.10126	14.0
146.20206	0.9
147.08078	1.9
147.11694	18.8
149.09599	8.5
149.13264	2.5
151.11160	2.7
155.08521	1.6
157.10103	2.2
159.11688	9.3
161.09593	3.2
161.13275	5.6
163.11217	5.5
169.10103	1.7
171.11707	2.9
173.13248	5.9
175.11201	3.2
175.14821	1.5
177.12718	2.4
179.10625	1.0
183.11629	2.2
185.13239	1.4
187.11137	1.4
187.14830	1.7
197.13225	1.3
201.12788	1.8
203.14290	1.3
213.16408	1.3
215.14305	1.9
215.17926	1.7
229.19530	3.9
239.17917	3.6
247.20567	6.2
257.19025	8.9
275.20062	100.0
276.20410	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03952	0.7
55.01138	0.7
55.01864	1.0
55.05262	0.8
55.05512	12.7
57.03434	5.0
57.07068	1.4
57.67715	0.6
65.20636	0.6
67.05502	11.2
69.07069	9.3
69.94136	3.5
70.06573	1.9
71.04982	1.2
79.05065	0.7
79.05491	12.5
81.07055	14.3
83.04939	0.8
83.08618	6.2
85.05965	0.6
85.06540	1.8
88.07620	3.0
89.07945	0.8
91.05478	32.7
92.05795	0.6
93.07041	11.6
95.04951	2.5
95.08613	11.9
95.21862	0.6
97.06532	2.1
97.10186	1.3
98.20797	0.8
99.08083	0.9
103.05463	1.4
105.07027	44.5
106.08666	1.3
107.08572	7.1
109.06519	2.2
109.10152	2.8
111.08068	1.6
112.60547	0.5
115.05463	1.1
117.07026	8.0
119.08577	33.8
121.06522	0.9
121.10132	5.1
123.08041	1.3
128.06168	0.7
129.07008	4.6
131.08571	11.7
133.10126	22.5
135.07996	0.9
135.11659	2.1
140.76849	0.7
143.08517	3.4
145.10112	10.8
147.11684	26.2
149.09642	3.7
155.08516	1.2
157.10168	4.3
159.11699	12.7
161.09633	1.1
161.13245	10.1
163.11125	2.1
169.10097	1.3
171.11687	2.1
173.11974	0.8
173.13228	4.7
175.11169	1.2
175.14807	2.2
183.11728	1.7
185.13260	8.4
186.52579	0.7
187.11209	1.0
193.12163	0.7
197.13292	1.5
201.12730	0.8
201.16306	1.6
203.14258	5.2
211.14819	1.0
219.17445	1.9
229.19633	1.8
239.17950	3.7
257.19000	11.0
257.26651	1.3
275.20056	100.0
275.27734	20.9
276.20474	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	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03939	1.5
55.01876	6.2
55.05263	1.3
55.05511	22.4
57.03424	2.5
57.07051	1.4
57.53293	0.7
59.05003	0.8
63.83040	0.9
64.53828	0.8
65.03928	1.4
67.05505	25.6
69.03392	0.9
69.06774	0.9
69.07073	9.2
70.05707	2.1
70.06112	2.4
71.04972	1.7
77.03903	1.2
79.05495	34.8
81.07057	19.7
83.04950	1.8
83.08619	5.8
85.06537	1.7
91.00428	0.8
91.05481	40.0
93.07050	25.7
95.04974	5.6
95.08602	12.6
97.06534	6.0
97.10163	3.4
103.05465	1.4
105.07033	49.3
107.04958	17.6
107.08597	25.8
109.06506	2.9
109.10163	12.7
117.07021	12.9
119.08583	33.5
121.06499	2.4
121.10149	9.4
123.08036	2.7
123.11679	2.9
125.09621	3.2
129.07018	2.2
131.08571	14.9
133.06508	1.7
133.10129	29.7
135.08052	5.7
135.11716	3.7
137.09634	1.9
141.07013	1.0
143.08519	2.6
145.06520	0.9
145.10117	13.6
147.08041	2.0
147.11684	19.4
149.09622	35.8
149.13283	1.4
151.11226	1.3
153.09068	1.6
155.08571	1.2
157.10150	3.2
159.11670	9.5
161.00127	0.9
161.09555	1.5
161.13254	6.9
163.11195	4.0
165.09111	0.9
167.10643	1.0
169.10178	1.1
169.12210	1.2
171.11684	3.0
173.09631	1.1
173.11745	2.1
173.13274	6.5
175.11200	1.7
175.14868	1.0
176.87004	0.9
177.12703	1.5
183.11697	1.8
187.11172	1.8
187.13249	1.0
187.14827	1.6
193.12129	0.8
197.13185	1.8
201.12726	0.9
205.12119	1.3
211.14825	1.3
212.29956	1.0
213.16469	1.1
215.02310	0.9
215.14359	1.4
215.18025	2.0
219.13901	1.2
229.19522	5.9
239.17882	4.1
247.20610	3.1
257.19022	16.6
275.20068	100.0
276.20364	2.1
291.84509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02361	0.6
53.03938	2.6
55.01623	0.9
55.01871	14.3
55.05508	16.2
57.03430	2.1
57.07072	1.2
65.03932	1.2
67.05499	25.2
69.03416	1.3
69.07062	15.4
69.53968	4.9
71.04986	2.4
79.05486	24.7
81.03420	1.7
81.07054	41.1
82.07394	0.6
83.04986	3.3
83.08611	6.2
85.06545	1.5
91.05476	58.7
92.05797	0.7
93.07038	22.8
95.01324	1.3
95.04968	5.9
95.08598	16.4
97.06523	19.4
97.10159	3.3
98.20785	1.2
99.08090	1.0
103.05465	2.4
105.07022	100.0
106.07335	1.0
107.04942	7.3
107.08592	12.7
109.06535	3.2
109.07158	0.7
109.10130	5.7
111.08105	0.8
115.05428	1.4
116.06190	0.6
117.07015	13.5
118.07781	0.9
119.08576	43.2
120.08928	0.5
121.06521	2.7
121.10135	6.6
123.04386	1.1
123.08068	2.4
123.11719	2.3
125.09624	2.3
129.07004	1.9
131.08553	19.0
132.09331	1.1
133.06502	0.9
133.10120	55.2
134.10423	1.0
135.08054	2.2
135.11688	4.5
137.09624	3.1
139.07533	1.2
141.07040	0.7
143.08559	2.7
145.10117	15.9
147.08104	0.9
147.11676	21.9
149.09616	4.5
149.13254	1.7
151.11171	2.6
155.08519	1.4
157.10141	2.8
159.08125	0.6
159.11693	8.1
161.09590	1.0
161.13240	4.1
163.11206	3.0
163.14868	0.7
165.09120	2.3
165.12747	1.3
169.10126	1.2
171.11720	2.3
173.09537	0.7
173.13264	3.2
175.11197	1.3
175.14813	1.0
177.12756	1.6
179.14320	1.9
183.11734	2.4
185.13251	1.5
187.11189	1.2
187.14896	1.0
189.71829	0.5
197.13269	2.8
201.12778	1.1
203.14339	0.9
205.12198	0.7
207.13910	0.6
211.14809	0.7
215.17940	0.8
219.17506	1.8
229.15916	0.7
229.19525	1.6
233.15387	0.9
239.18073	2.5
247.16867	0.9
247.20558	3.7
257.19028	6.2
275.20038	85.1
276.20401	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03943	1.8
55.01668	0.8
55.01869	7.8
55.05507	12.5
57.03422	2.0
57.07049	1.3
65.03922	1.4
67.05501	21.2
69.03411	1.2
69.06721	1.0
69.07067	11.2
69.98006	0.9
70.89437	1.6
71.04967	2.3
79.05059	1.5
79.05492	20.8
81.07055	25.0
81.66278	0.7
83.04972	3.1
83.08624	4.6
85.06567	1.4
91.05478	36.6
93.07040	21.1
95.04959	5.6
95.08598	15.1
97.06519	8.7
97.10172	2.5
102.56421	0.8
103.02181	0.8
103.05463	3.2
105.07028	49.8
107.04943	7.0
107.08590	13.8
109.06523	5.0
109.10165	6.8
110.08772	0.8
111.08077	1.6
115.05460	1.9
117.07010	10.4
119.08578	32.7
121.06518	6.1
121.10146	11.7
123.08064	4.0
123.11673	2.1
124.48869	0.8
125.09634	2.4
129.07010	3.3
131.06992	0.8
131.08559	16.2
133.06499	1.9
133.10126	38.9
135.08015	5.9
135.11673	6.7
137.09604	5.1
139.11218	1.4
141.06950	1.7
143.08560	3.4
145.10127	10.3
147.07990	1.5
147.11676	15.8
149.09618	8.5
149.13336	1.9
151.11191	3.3
155.08568	1.7
157.10083	2.8
159.11691	8.9
161.09557	2.2
161.13271	5.5
163.11165	6.9
165.08995	0.9
165.12825	1.0
169.10150	2.1
171.11694	2.6
173.13290	5.9
175.11131	3.4
177.12730	2.1
183.11717	1.9
185.13235	2.4
187.11208	1.8
187.14854	1.5
191.14265	1.2
197.13220	2.8
201.12585	1.5
205.15665	0.9
211.14854	1.3
215.14224	1.1
215.17961	2.6
219.13721	1.0
229.15839	1.1
229.19534	3.7
233.15329	1.1
233.18935	1.8
239.17958	5.7
247.20618	5.2
257.19049	10.0
275.20056	100.0
276.20374	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03935	1.1
55.01871	4.2
55.05507	11.0
56.61514	0.6
57.03436	7.7
57.07088	0.7
65.03944	1.1
67.05502	18.0
69.07072	9.5
69.96920	2.8
71.04972	2.0
79.05064	0.9
79.05492	17.1
81.07054	21.1
81.36266	0.6
83.04983	1.9
83.08615	4.6
85.06522	2.5
91.05476	35.1
93.06467	1.3
93.07038	19.8
95.04974	4.2
95.08599	12.8
97.06521	4.5
97.10154	1.1
99.08086	2.3
103.05457	1.9
105.07024	45.7
107.04948	5.7
107.08587	13.2
109.06496	4.0
109.10173	5.1
111.08067	1.5
115.05498	0.9
117.07007	11.3
119.08573	31.3
121.06507	4.7
121.10128	7.2
123.08049	2.5
123.11659	1.2
125.09647	1.5
128.06212	1.0
129.06992	2.9
131.08563	15.6
133.10123	27.1
135.08063	4.2
135.11676	3.5
137.09581	1.5
141.06981	1.6
143.08549	4.4
145.06419	1.0
145.10120	13.9
147.08052	1.2
147.11679	24.1
149.09627	9.8
149.13222	1.2
151.11194	1.1
155.08522	1.2
157.10144	4.0
157.15114	0.6
159.11693	11.2
161.09648	2.4
161.13234	6.0
163.11211	4.3
163.14676	0.7
165.12714	0.9
169.10127	2.0
171.11694	2.6
173.09761	0.6
173.13234	5.0
175.11172	1.7
175.14841	1.9
177.12732	2.4
183.11739	3.2
185.13248	11.5
187.11176	1.5
187.14836	1.4
189.12715	0.6
191.14336	1.1
197.13251	2.2
199.14824	0.9
201.12752	1.4
201.16406	2.1
203.14319	5.9
213.16335	0.6
215.14337	0.7
215.17952	1.0
219.13768	0.7
219.17372	4.4
229.19508	2.1
233.15257	0.9
233.18861	0.7
239.17993	4.6
247.20547	2.5
257.19000	13.1
260.12695	1.0
275.20053	100.0
275.27759	2.4
276.15927	5.3
276.20364	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.53896	0.7
53.03950	1.9
55.01856	2.8
55.05256	1.2
55.05505	11.8
57.03423	3.3
63.51909	0.8
65.03935	1.2
67.05502	17.5
69.07069	10.9
71.04977	2.5
71.43163	1.6
79.05491	20.4
81.07057	26.7
83.04991	3.9
83.08624	4.2
85.06526	2.2
91.05478	41.1
93.07041	21.1
95.04964	4.3
95.08607	13.5
97.06501	2.2
99.08088	0.9
103.05486	1.3
105.07030	49.2
107.04947	6.2
107.08592	16.7
109.06525	7.3
109.10162	4.7
111.08061	1.8
115.05433	1.0
117.07024	7.7
118.07772	0.9
119.08578	31.8
121.06487	3.4
121.10143	9.4
123.08074	5.2
123.11691	1.9
127.69552	0.8
129.07005	2.7
131.08565	13.3
133.06516	1.2
133.10127	39.9
135.08063	8.4
135.11665	5.4
137.09602	3.1
141.06979	1.8
143.08568	2.7
145.10110	11.9
147.08037	2.2
147.11690	17.9
149.09633	7.7
149.13246	1.0
151.11177	2.2
155.08575	1.0
157.10115	2.4
159.08044	1.6
159.11682	7.8
161.09641	2.2
161.13277	6.2
163.11205	3.6
165.09180	0.9
169.10077	1.1
171.11676	3.4
173.13272	4.5
175.11197	1.6
175.14793	1.5
175.62634	0.9
177.12706	1.4
179.90439	0.7
183.11626	3.0
185.13274	2.9
187.14827	1.0
197.13283	3.2
199.14667	1.1
201.12595	1.0
201.16438	1.7
203.14333	2.8
211.14778	0.9
215.14433	1.0
215.17969	1.2
219.17311	0.9
229.19478	2.3
239.17990	6.2
247.20627	3.1
257.19028	9.4
275.20053	100.0
275.27826	2.3
276.20419	1.3
279.83441	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03938	1.5
55.01859	3.0
55.05510	15.3
57.03432	5.5
57.07056	1.5
65.03918	1.3
67.05170	1.5
67.05502	22.4
69.06761	1.2
69.07066	11.6
70.08578	5.6
70.32053	1.0
71.04967	3.5
71.11015	1.1
72.69180	1.0
76.86562	1.2
79.05495	24.0
81.07054	31.3
83.04980	3.3
83.08612	6.3
85.06513	2.4
85.54153	1.2
91.05479	37.6
93.07041	23.9
95.04994	5.7
95.08610	14.3
97.06537	2.4
97.10164	1.6
103.05444	2.4
105.07030	49.3
106.07329	1.4
107.04936	5.9
107.08587	18.7
109.06501	7.7
109.10150	8.1
111.08045	2.3
117.07006	12.3
119.08581	38.5
121.06505	4.2
121.10138	11.9
123.08068	6.5
123.11688	2.5
125.09586	1.9
129.07011	3.7
131.08574	16.8
133.10126	37.3
135.08037	7.1
135.08876	1.0
135.11694	6.1
137.09595	4.8
143.08586	3.5
145.10129	14.3
147.08055	3.0
147.11685	21.4
149.09598	5.4
149.13168	1.4
151.11234	1.9
152.88193	1.1
157.10143	4.3
158.10904	1.2
159.11707	11.3
161.09602	2.9
161.13310	6.3
163.11148	4.4
165.12747	1.2
169.10094	2.4
171.11685	3.5
173.09619	1.2
173.13272	10.8
175.11200	3.2
175.14874	1.7
177.12665	3.0
183.11679	4.2
185.13229	3.5
187.11205	2.3
187.14813	2.6
191.14290	2.4
192.64891	1.2
197.11470	1.1
197.13290	3.2
199.14809	1.6
201.12770	2.2
201.16342	2.4
203.14349	2.6
213.16376	1.1
213.87950	1.0
219.17445	1.9
229.19576	3.1
233.15404	1.2
233.19141	2.2
239.17860	6.5
247.20537	2.6
257.19022	13.0
275.20047	100.0
275.27875	3.3
276.20349	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	275.0916
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.61505	0.1
52.11772	0.2
53.03943	0.4
55.01862	0.2
67.01862	0.4
70.41198	0.6
74.09754	0.2
77.03921	0.2
79.05483	1.2
81.03391	0.2
81.07050	0.3
93.07006	0.2
95.04990	1.1
95.08575	0.3
105.04506	0.3
105.07013	0.4
107.04957	100.0
108.05258	0.9
119.08593	0.3
121.06472	0.5
123.04457	0.5
127.03910	1.1
133.10133	0.2
143.08623	0.2
147.11641	0.2
149.05978	0.8
151.03903	1.6
169.04967	11.6
178.19344	0.2
181.04942	0.2
275.09042	1.4
275.20190	0.4
275.23444	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	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25585	1.1
56.05033	1.7
56.96561	3.2
60.05650	50.1
67.05511	1.6
69.03419	2.0
69.04590	1.0
69.07044	1.6
70.06594	2.3
70.87681	2.0
70.88055	2.0
71.04966	1.3
72.08140	1.5
79.05496	1.4
80.05043	1.2
81.03419	1.4
81.04535	1.7
81.07050	4.7
82.06604	2.6
84.04498	2.5
84.08145	7.7
85.02911	3.0
86.09705	2.3
91.05478	1.6
95.04955	1.2
95.06094	2.3
97.02907	2.0
97.06543	2.0
97.07678	2.0
97.43812	1.1
98.06031	1.0
98.97562	1.6
99.41496	1.0
105.07035	1.6
110.06033	8.1
111.05557	7.4
112.07621	2.3
113.00065	3.0
113.05988	1.2
116.98611	1.5
123.05545	5.9
125.07120	3.4
127.03922	1.1
127.08675	16.7
127.09573	1.4
130.08646	2.1
135.04445	1.1
135.05582	1.5
136.07628	1.4
139.03998	1.6
141.06583	10.7
143.04903	1.5
144.05707	1.2
146.99796	0.9
147.04411	1.3
154.05037	1.9
154.08667	3.6
157.06499	2.2
160.05190	1.2
163.03967	1.5
168.05719	1.2
169.06506	3.0
169.09633	1.9
169.10878	1.9
171.04527	1.6
171.07649	7.2
171.11281	16.6
173.05981	1.5
185.05965	1.5
187.07501	1.2
189.05470	1.7
191.06973	2.1
191.45160	1.2
197.06058	4.3
201.05484	1.8
213.09915	1.9
213.13481	12.0
214.06242	2.0
215.07042	4.8
215.10165	8.9
227.13982	1.5
229.05112	2.6
229.08551	1.4
231.06635	2.2
233.04477	1.3
239.14011	2.9
242.05826	1.2
243.06540	3.3
247.09836	1.9
257.02637	5.3
257.08093	2.7
257.12500	17.0
257.15051	11.0
260.06805	2.6
275.03894	3.8
275.11069	100.0
275.13684	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	275.0912
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02373	0.2
53.03934	0.5
67.01865	0.3
69.85464	1.0
79.05494	0.8
83.49944	0.2
84.61147	0.2
85.02897	0.2
95.04979	1.2
95.08591	0.3
98.21535	0.2
99.06429	0.2
99.99394	0.2
105.04511	0.2
107.04958	100.0
108.05305	0.7
116.34363	0.2
121.06467	0.3
121.10177	0.2
123.04394	0.3
127.03903	1.2
138.05525	0.2
149.05986	0.5
151.03911	1.7
169.04971	9.0
196.13219	0.2
259.67819	0.2
275.09128	1.4
275.13855	0.2
275.23856	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	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	22.8
57.03410	4.8
62.43206	4.3
67.01153	3.6
70.74538	12.1
79.32954	3.9
80.08372	3.2
81.31696	3.3
84.08143	18.8
91.39267	3.9
93.97971	3.9
97.95859	3.5
98.97582	99.2
113.00008	13.1
116.98621	86.2
119.01929	4.6
129.10219	4.7
134.99680	45.9
153.00674	7.0
190.95302	6.8
226.75568	4.3
232.96571	5.6
250.97546	5.4
256.96506	13.2
263.97717	4.0
274.94479	5.4
274.97507	100.0
292.98550	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
55.05503	2.7
56.05022	5.1
56.96568	23.0
58.06604	2.2
60.05648	100.0
65.93600	1.6
67.05484	2.3
69.03443	2.6
70.06570	8.3
70.31053	6.1
70.98121	4.7
71.04995	4.1
72.08140	7.4
73.02890	3.3
75.86079	1.8
80.05026	2.6
81.03405	2.6
81.07053	1.9
82.06571	6.8
84.04503	5.5
84.08137	20.9
84.95993	2.4
85.02898	4.9
86.09723	2.7
88.03995	2.1
88.99153	3.0
89.50202	1.8
95.06042	2.1
97.02901	4.4
97.07639	2.9
98.97591	5.9
107.05028	1.9
108.04468	2.8
110.06033	21.0
111.05563	5.4
112.07594	4.5
112.99995	2.4
114.09151	2.4
116.07051	2.9
116.98636	3.4
119.01893	2.3
122.06020	7.4
123.05561	3.7
124.07607	5.5
125.07112	17.1
126.09126	8.7
127.08685	41.5
128.98596	4.1
129.10263	2.6
134.99628	4.4
135.04449	2.0
135.05536	4.1
136.07584	2.3
138.72374	1.9
141.06609	6.7
143.08192	2.4
146.99649	4.8
154.04994	3.7
154.08640	9.5
161.01236	2.2
165.00684	6.6
169.09654	4.3
169.10892	5.0
171.07651	17.7
171.11273	37.3
174.99165	7.8
190.98662	18.4
193.00214	12.9
208.99713	5.8
211.01164	3.3
212.10573	2.3
213.09920	4.7
213.13501	27.4
215.10284	17.7
218.98160	3.1
229.13071	2.2
232.99632	6.5
244.80649	1.8
251.00793	4.8
257.12552	39.4
257.15042	6.7
258.11331	4.5
275.01300	2.2
275.10938	39.1
275.13605	49.7
275.16656	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	273.2212
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05499	5.4
57.07061	2.5
59.04979	1.4
67.05502	9.7
68.33047	1.3
69.07071	8.8
71.04993	13.3
79.05489	6.1
81.07056	29.5
83.08610	4.5
85.06524	3.4
91.05476	7.8
93.07045	19.9
95.04976	3.3
95.08603	20.5
97.10174	2.1
99.08056	1.5
105.07031	32.2
107.08591	19.4
109.06554	6.4
109.10144	12.3
110.39380	1.1
111.08074	12.4
112.32251	1.2
113.09670	6.5
117.07008	6.4
118.35511	1.2
119.08575	52.9
121.10139	17.9
123.08034	2.0
123.11091	1.1
123.11717	12.1
128.06157	1.3
130.07845	1.4
131.08559	19.3
133.10123	11.6
135.11668	6.7
137.09612	2.0
137.13205	2.3
142.07840	3.0
143.08560	6.6
144.09372	1.8
145.10121	26.5
147.07965	1.5
147.11697	12.0
149.09621	1.6
149.13239	4.8
151.11131	1.9
157.10150	13.8
158.10983	1.1
159.11687	43.4
161.13252	11.8
163.11172	2.1
163.14830	4.2
171.11700	9.0
173.13281	17.5
175.11313	1.6
175.14844	6.1
177.12749	8.0
179.14296	2.9
183.11781	1.3
185.13264	11.8
187.14830	5.8
189.16393	4.1
197.13278	2.2
199.14830	14.6
203.14215	2.0
203.17950	4.3
212.03513	1.5
213.16415	8.8
215.17955	57.1
216.18254	2.0
217.15916	1.7
227.05919	1.8
227.17871	2.9
229.19466	8.8
231.21088	3.1
255.21088	54.9
273.18820	4.1
273.22128	100.0
273.29898	2.6
274.22430	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	274.105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19002	1.1
56.96558	2.0
57.03424	2.0
58.06592	2.1
59.35581	1.2
60.05644	2.5
61.02919	2.1
69.03421	4.5
69.60627	10.5
70.06593	8.2
72.08154	8.5
73.02918	2.9
78.80161	1.3
79.10748	1.4
84.08132	3.8
85.02900	7.7
97.02881	5.4
98.09678	2.5
98.97583	3.0
100.07606	7.4
102.80602	1.4
104.10735	12.6
116.07132	1.8
119.01914	2.2
127.03944	2.5
143.00163	1.7
143.01920	1.7
144.01968	1.8
145.05022	1.5
161.02940	2.8
162.03162	3.2
163.02745	2.2
171.04227	5.9
173.02998	2.8
174.03018	1.4
175.02774	1.6
175.04437	1.7
175.11913	3.2
186.03151	1.4
186.04735	3.6
187.03682	100.0
193.05421	1.7
194.53647	1.3
204.03938	1.6
215.03166	6.6
215.13956	6.3
260.89380	1.6
269.05365	1.7
274.10562	74.7
274.18594	4.8
274.21371	6.2
275.07468	3.0
275.11032	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	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03939	1.4
53.74279	0.5
55.01874	3.5
55.05266	1.0
55.05512	11.2
57.03422	1.7
57.07071	0.7
59.68270	0.7
62.58884	0.6
67.05505	14.1
68.64407	0.6
69.03431	1.6
69.07070	6.7
71.04989	2.3
73.03844	0.5
79.05496	13.8
81.03432	1.1
81.06593	0.8
81.07059	11.6
83.04977	1.4
83.08624	3.9
85.06539	0.7
91.05486	24.6
93.07045	9.0
95.04957	4.2
95.08609	7.4
97.06503	1.6
97.10157	2.3
99.08183	0.6
103.05460	1.8
105.03394	1.0
105.07030	19.5
107.04955	3.8
107.08580	7.3
109.06508	2.2
109.10193	3.8
111.08054	1.3
115.05437	3.1
116.06214	2.0
117.07022	16.5
119.04930	1.0
119.08583	17.7
120.40990	0.6
121.06492	3.7
121.10142	2.5
123.04427	0.9
123.08064	2.2
125.09646	1.1
128.06206	3.6
129.07011	9.6
130.07809	4.1
131.04874	0.6
131.08574	34.9
132.05676	0.8
133.06483	4.3
133.10124	6.9
135.08073	3.8
135.11713	1.5
137.09631	1.1
141.06981	0.7
141.57631	0.7
142.07805	2.1
143.08574	11.6
144.09352	0.8
145.06465	2.6
145.10126	25.3
146.07335	1.1
147.08038	11.2
147.11685	2.6
149.09613	1.9
151.11209	0.7
153.01848	0.9
155.08556	1.7
156.09402	1.2
157.10139	9.0
158.10599	0.6
159.08070	5.7
159.11681	7.2
160.08870	0.7
161.09615	9.3
163.07619	1.0
163.11197	2.1
167.08505	1.0
169.10147	2.4
171.08026	0.9
171.11670	5.2
173.09607	3.0
173.13286	1.9
175.11183	5.5
177.09042	1.1
177.12627	0.8
181.10126	2.3
183.11687	1.4
185.09622	2.2
185.13229	2.0
187.11179	1.9
189.12738	1.1
195.11661	2.0
199.11278	3.2
203.10716	0.9
205.12199	0.9
209.13214	1.1
213.12790	2.2
213.16415	1.1
217.12314	0.8
227.14264	0.8
227.17899	4.1
231.17598	1.0
231.50432	0.6
237.16360	3.1
245.19046	4.2
249.59630	0.7
255.17432	10.2
273.18500	100.0
274.18747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.13223	1.5
53.03933	1.8
55.01853	2.0
55.05272	1.6
55.05508	27.8
55.38511	1.4
56.96557	1.4
57.03429	3.2
57.07084	2.0
59.05003	2.1
61.03121	1.4
61.78598	1.2
63.37831	1.5
65.03907	1.8
67.05180	1.3
67.05508	19.7
69.03414	2.7
69.07069	11.9
71.04987	2.9
74.04465	1.6
79.05488	17.9
81.07055	19.8
83.04963	3.8
83.08627	10.0
85.06524	2.3
91.05479	38.6
93.07047	17.2
95.04963	6.2
95.08607	12.8
97.06515	3.5
97.10148	4.1
105.06311	2.0
105.07024	38.5
107.04936	4.2
107.08599	10.6
109.06512	5.9
109.10148	5.0
110.02509	1.6
114.14501	1.5
115.05434	4.9
116.06197	2.9
117.07024	24.0
119.08566	18.5
121.06505	4.0
121.10107	3.3
123.08024	3.2
125.09632	1.9
128.06207	9.7
129.07007	14.8
130.07774	5.9
131.08557	64.3
133.06470	6.3
133.10112	11.0
135.08081	2.8
135.11676	2.1
141.06976	4.0
142.07828	3.4
143.08560	56.0
144.09302	3.5
145.06450	3.0
145.10121	62.2
147.08080	9.3
147.11670	4.0
149.09648	3.2
149.13191	1.8
153.01833	2.3
155.08543	4.9
157.10133	16.2
158.10783	1.4
159.08078	5.5
159.11688	16.7
161.09630	13.0
163.11163	3.0
164.43106	1.6
165.07133	1.7
166.07773	1.5
167.08566	2.5
169.10139	9.0
171.11734	11.9
173.09641	4.8
173.13261	3.0
175.11198	5.3
179.10831	1.5
181.10129	2.1
183.11682	3.2
185.09550	2.6
185.13268	4.6
187.11194	3.1
189.12772	1.9
195.11671	8.9
199.11165	2.0
211.14876	2.6
213.12730	2.9
227.17947	3.2
237.16438	12.2
245.18988	3.6
255.17397	19.5
273.07373	3.3
273.18500	100.0
273.29767	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Butein
Peak:m/z	Relative Intensity
53.01866	0.3
53.03936	0.8
55.01866	0.3
55.05506	0.4
61.56150	0.3
65.03934	1.0
67.05492	0.9
68.99796	2.1
69.03437	0.7
70.01907	0.3
79.05517	1.6
81.03419	8.8
81.07066	0.8
89.03921	5.6
91.05463	0.9
93.03421	0.6
93.07024	0.5
95.01332	0.4
95.04965	0.8
95.08620	0.8
96.02114	0.8
105.07029	1.0
107.04939	2.6
107.08596	0.4
109.02867	1.0
109.10149	0.5
111.04441	4.1
114.40374	0.3
116.00384	0.3
117.03383	8.8
117.07019	0.3
117.44389	0.4
119.08565	0.6
120.75165	0.3
121.10129	0.5
123.04419	1.5
127.03963	1.5
129.06952	0.6
131.08575	0.8
133.10107	0.4
135.04414	14.4
135.11693	0.5
137.02339	100.0
138.02666	1.6
139.03886	1.1
139.05460	0.3
143.08647	0.5
145.02840	10.1
145.03996	0.5
145.10081	0.5
147.04424	0.5
147.11652	0.4
149.06032	0.4
153.01901	0.4
153.06976	2.4
155.03429	1.6
157.06488	0.5
157.10121	0.4
160.39063	0.3
161.13251	0.4
163.03905	58.4
164.04282	0.7
165.06975	0.6
169.06491	0.5
171.08058	0.5
181.06473	5.5
185.06017	1.1
187.07594	0.8
189.05482	1.1
199.07523	0.9
203.07080	0.8
209.05960	2.4
213.05482	1.0
213.16408	0.4
227.07022	3.2
237.05467	2.1
255.06526	12.6
256.06949	0.4
258.05200	3.1
273.07574	79.4
273.18448	1.2
273.25769	1.0
274.07974	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
52.72587	0.9
53.03936	2.4
55.01854	3.1
55.05513	32.5
55.34543	0.9
57.03423	2.6
57.07067	2.6
65.03948	1.7
67.05185	1.2
67.05508	20.2
69.03416	2.3
69.07069	17.4
69.31169	0.9
69.80792	2.5
69.81207	3.8
71.04980	1.9
73.06561	1.2
79.05493	18.1
81.03416	2.1
81.06583	1.6
81.07055	30.8
83.04971	3.0
83.08620	12.6
85.06548	2.4
91.05476	41.4
93.06475	1.5
93.07049	24.2
95.04959	3.9
95.08600	23.0
97.06528	2.1
97.10154	6.9
103.05467	2.2
105.07034	42.7
107.04939	2.7
107.08593	15.6
109.06499	3.0
109.10165	8.6
109.22679	1.1
111.04455	1.0
111.08081	1.1
115.05451	5.0
116.06247	4.4
117.07021	35.9
119.04979	1.7
119.08586	21.4
121.02864	15.0
121.06510	3.3
121.10140	8.0
123.04498	1.1
123.08068	3.0
123.11682	2.9
125.09617	3.0
128.06238	10.9
129.07001	18.3
130.07785	11.5
131.08568	76.6
133.06479	3.7
133.10135	19.2
135.08025	2.9
135.11667	5.5
137.02338	18.2
141.06985	3.1
142.07793	4.1
143.08563	55.0
144.09306	2.8
145.06485	3.2
145.10124	74.1
146.10457	0.8
147.08080	6.8
147.11691	9.4
149.09653	2.4
149.13239	4.9
154.07870	1.0
155.08591	3.8
157.06444	1.0
157.10129	19.0
158.10876	1.3
159.08037	4.1
159.11687	17.8
161.09628	7.0
161.13258	5.0
163.03957	1.2
163.11163	1.7
163.14839	3.0
165.06978	1.2
167.08578	2.2
169.10092	9.1
171.11702	10.3
172.12482	1.3
173.09668	1.7
173.13268	3.7
175.11185	2.9
175.14870	3.3
177.16371	2.3
179.10583	1.1
181.10052	5.0
183.11671	3.4
185.09772	1.6
185.13263	3.9
187.11212	2.2
189.12764	1.7
189.16371	1.9
191.17883	1.3
195.11717	7.7
199.11211	2.4
201.12889	0.9
203.17989	2.5
209.13290	2.1
211.14867	2.1
213.12759	2.5
213.16393	1.2
215.14417	1.1
217.19531	2.5
227.17860	4.8
231.13881	1.1
237.16364	15.3
242.93655	1.1
245.08171	1.2
245.19014	2.7
255.17419	19.5
273.07254	3.6
273.18497	100.0
273.25772	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	272.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32487	0.4
54.03460	0.5
55.05484	0.6
56.05034	39.8
70.06577	1.0
70.29408	1.3
71.04991	46.5
72.04503	1.0
72.08145	1.4
74.02446	1.1
74.06075	2.4
77.63930	0.5
79.05500	0.7
80.04993	0.6
81.07056	3.8
82.02938	19.7
82.06577	2.6
85.02952	0.5
88.07626	5.4
91.05469	0.6
94.07369	0.5
95.08602	0.8
98.09686	0.5
99.05563	5.7
102.05555	2.8
112.44601	0.4
113.09638	14.6
114.06604	0.7
119.08575	0.9
120.08904	1.7
124.08355	0.6
125.07110	38.9
126.07421	0.5
126.09158	0.9
141.10226	0.4
153.01740	0.4
157.06081	1.3
160.07208	3.7
166.07335	0.6
166.13390	0.5
169.09680	0.8
172.12106	0.5
186.12305	0.5
194.12842	1.2
200.04379	0.4
212.13904	1.2
218.12532	0.9
226.15500	0.7
239.06787	0.4
240.13419	86.1
241.13828	1.5
255.06429	1.1
272.06369	6.1
272.16034	100.0
273.07632	0.5
273.16400	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03445	1.8
55.05517	1.3
56.05036	40.1
56.56407	1.1
56.96536	1.1
57.03422	1.1
59.06243	1.0
62.05820	1.4
62.06085	12.2
69.03434	1.2
69.07047	1.0
70.58047	1.6
70.58357	1.7
71.04993	34.5
72.04494	1.4
72.08153	2.5
74.06083	2.6
79.05496	2.3
81.07047	3.4
82.02947	20.8
82.06567	3.1
83.04949	1.9
85.02910	1.7
88.07639	7.7
91.05444	1.7
99.05574	7.1
102.05534	3.6
113.09644	10.3
121.52112	1.2
122.86086	1.1
123.08097	1.1
125.07116	39.7
137.05939	1.7
157.06149	1.3
160.07178	3.3
169.09711	1.3
183.23808	1.1
240.13425	95.4
241.13844	1.3
254.17488	4.8
254.46236	1.1
272.06372	12.9
272.16046	100.0
272.78891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05507	3.8
56.05030	1.6
56.96561	4.1
57.03428	2.0
60.05650	0.6
61.02924	1.1
68.05030	1.0
69.03423	1.4
69.07076	0.8
70.06596	3.2
70.74224	1.2
70.74565	0.6
71.65989	0.6
72.08149	2.4
73.02916	1.3
73.06554	2.3
79.05496	2.2
80.04977	0.6
81.03413	1.1
81.04559	0.9
81.07057	8.9
82.05339	2.1
83.06100	10.7
84.04493	2.4
84.08125	1.7
84.96047	0.6
85.02895	3.3
86.09670	1.3
90.00139	0.6
93.04530	7.5
95.05068	0.9
95.06091	16.2
96.04501	0.5
96.08133	1.3
97.02886	2.0
98.97572	4.9
102.28148	0.5
109.02888	0.6
110.07165	100.0
111.05549	2.1
112.07576	0.6
112.08715	3.8
116.07153	0.6
116.98639	2.9
119.01833	0.8
125.92577	0.5
126.05477	0.6
128.02310	0.8
129.10283	0.7
134.99683	1.5
143.00151	1.4
146.04121	1.4
147.03336	1.2
152.07072	0.6
155.04666	9.0
155.54851	0.7
156.07686	9.8
158.99622	1.7
161.01248	2.5
163.03859	0.6
163.12302	7.9
164.05185	4.3
164.55344	0.8
165.04414	0.9
175.56099	0.7
177.00713	2.2
181.13449	0.8
184.20874	0.5
188.05266	0.9
189.00713	0.9
190.13416	3.1
191.07558	1.3
193.13461	1.1
198.13641	1.4
206.06290	1.1
207.05185	0.7
208.14444	13.2
209.12767	0.7
210.15970	0.6
211.14380	1.1
212.07983	0.9
219.01904	1.0
226.15503	22.7
227.06743	6.6
227.13913	1.4
227.57106	0.8
228.17053	1.6
237.02740	1.6
249.02782	0.7
254.11015	0.7
254.14992	16.0
267.03793	1.1
272.06226	1.8
272.09882	1.8
272.16049	86.8
273.09415	0.7
273.16132	1.0
280.11707	0.6
285.05032	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66893	0.5
53.03928	1.0
55.01855	0.7
55.05505	2.5
56.05019	1.1
56.96563	10.9
57.03427	2.4
60.04527	0.6
60.05625	0.7
61.02923	2.5
65.03923	1.6
68.05017	1.8
69.03434	4.0
69.07043	0.6
70.06588	8.2
70.84899	0.8
70.85274	0.9
71.04998	1.0
72.08154	3.6
73.02905	1.5
74.97549	0.6
75.39922	0.5
76.04000	1.0
79.05484	2.8
80.04984	0.7
81.03394	1.7
81.04544	1.1
81.07056	9.5
82.05300	1.3
82.06554	0.9
83.04961	0.5
83.06105	9.9
84.04510	6.1
84.08141	3.6
84.96021	0.7
85.02419	0.9
85.02899	10.2
86.09702	2.4
87.04436	0.8
90.94818	0.6
91.03976	0.7
92.04993	8.5
93.04526	7.2
93.05789	0.6
94.06558	2.0
95.05508	0.9
95.06092	15.8
96.04488	0.7
96.08097	2.0
97.02885	4.4
98.06055	1.0
98.97588	2.9
99.04431	1.3
106.06547	0.6
107.06057	0.7
108.04492	0.6
109.02856	1.4
109.07654	0.7
110.06023	33.7
110.07146	100.0
110.97533	0.7
111.05571	2.5
111.06263	0.7
111.07423	0.7
112.07615	0.5
112.07990	0.5
112.08704	3.8
113.04652	0.6
114.05489	0.5
116.07068	1.4
116.70865	0.5
116.98604	2.7
120.02544	0.7
124.99093	0.7
126.05505	1.1
127.03905	2.3
128.98628	1.1
129.10255	0.8
130.05008	1.2
131.00114	1.3
134.01241	0.5
134.06046	0.9
134.99644	2.3
136.03876	0.6
137.04517	0.8
138.04950	0.9
139.04976	0.7
140.05656	0.7
141.04057	1.4
141.06566	1.1
143.00121	3.2
145.04901	1.0
145.98950	0.5
146.99611	1.4
149.01166	0.6
149.10699	0.8
152.07056	1.7
154.04965	0.5
156.07681	12.6
158.99597	0.9
161.01184	5.6
162.03603	1.1
163.04271	1.5
163.12311	8.8
165.00616	0.7
165.10191	0.9
169.04459	0.7
170.99672	0.6
175.11838	1.0
177.00699	2.3
177.04256	1.0
178.04898	2.7
179.02274	2.0
181.07912	1.0
182.03241	0.8
183.04079	1.1
184.04878	1.6
185.01228	1.4
188.97136	0.6
189.00679	1.3
190.13388	3.6
191.03874	1.2
192.04610	0.6
193.13380	1.1
194.09500	0.7
198.13588	1.0
199.09001	1.3
201.12292	1.0
203.02315	1.9
208.14441	13.0
209.12961	0.7
210.16006	2.0
211.07068	0.6
211.14474	1.2
214.84406	0.5
221.03307	0.9
226.08272	0.5
226.15500	22.1
227.13779	1.3
228.17113	1.3
230.03267	0.5
237.02895	0.7
240.61699	1.3
248.99165	1.9
249.02786	2.6
254.14999	17.5
267.00314	1.5
267.03830	4.3
270.16321	1.2
271.57843	0.7
272.06409	2.3
272.11609	6.6
272.16031	94.0
273.09348	2.5
273.16318	1.5
275.00723	1.5
285.04901	2.2
289.02203	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1128
Annotation	Deidaclin
Peak:m/z	Relative Intensity
52.49530	0.6
53.03930	1.4
55.01860	1.0
55.05509	0.9
56.05021	1.5
56.96568	11.2
57.03437	4.0
59.88838	0.6
60.05640	0.6
61.02921	3.7
65.03952	3.6
67.05481	0.6
69.03081	0.6
69.03431	8.6
70.06603	7.1
71.01331	0.6
71.04982	2.0
71.41418	0.8
72.08165	3.5
72.76044	0.6
73.02923	3.0
75.40435	0.7
79.05485	1.0
80.05000	1.1
81.03425	3.1
81.04526	0.9
81.07059	5.4
82.05311	0.6
82.06572	0.7
83.05009	0.7
83.06098	6.0
84.04512	4.1
84.08109	2.3
84.96028	0.8
85.02907	18.0
86.09686	1.4
87.04440	2.5
91.03941	1.4
92.05003	39.8
93.04544	3.8
93.05766	3.2
94.06567	6.6
95.06095	9.5
96.08115	2.2
97.02356	0.4
97.02889	8.3
98.97588	4.5
99.04431	1.9
100.99130	0.7
101.02361	0.9
102.05565	0.7
103.03981	0.7
106.02858	0.7
107.24995	0.6
109.02857	2.4
109.07613	0.6
110.01231	0.6
110.06017	100.0
110.07143	56.6
110.97529	0.6
111.06320	0.9
112.08697	2.7
112.99110	2.2
116.98631	2.8
118.02818	0.7
119.01820	0.8
124.95372	0.6
126.72974	0.5
127.03900	3.9
128.98561	0.8
130.05013	0.8
131.00175	4.6
133.03432	0.8
134.99631	1.4
136.06122	0.8
140.02304	0.6
143.00122	2.6
145.04913	2.1
146.02249	0.7
146.99602	1.6
148.03856	0.7
149.01213	2.3
149.10707	1.3
152.07053	2.5
155.08136	0.7
156.07675	7.1
158.99629	2.3
161.01251	3.5
163.02750	1.1
163.04376	3.4
163.12349	3.4
165.00723	1.1
169.04436	2.9
171.04143	0.7
177.00696	1.5
178.03423	1.0
178.04936	14.4
178.55017	0.7
179.02243	2.1
179.63307	0.6
183.04094	0.8
183.54324	0.8
184.04855	1.4
189.00764	0.9
190.13347	2.4
190.95511	0.7
191.03867	1.8
193.03841	1.3
201.12350	1.0
203.02118	0.9
205.00165	0.7
208.14453	6.3
210.16054	0.8
219.01752	2.0
226.15540	11.3
228.17072	0.8
237.02800	1.5
240.61731	0.8
248.99191	1.5
254.10312	1.8
254.15021	8.9
256.99725	1.6
267.00366	1.0
267.03778	1.4
272.06442	2.4
272.11337	20.5
272.16013	45.3
275.00693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1441
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
55.05503	1.9
57.03434	1.4
67.05507	3.4
69.07072	1.1
71.43019	0.7
79.05491	2.6
81.07049	5.3
83.04949	0.8
83.08646	0.7
91.05479	3.3
93.07050	2.0
95.02882	0.8
95.08597	1.7
96.08105	1.6
105.07021	2.1
107.08595	1.1
108.08097	2.0
109.10171	1.5
117.06995	0.7
118.06493	1.1
119.04926	2.6
119.08575	1.5
121.02834	1.2
123.11665	0.8
124.07600	0.8
129.06979	1.1
133.10101	1.6
135.93982	0.7
137.02292	0.8
142.07790	1.0
144.08029	0.9
145.02872	0.7
153.01846	6.2
154.06494	1.3
155.08543	1.0
156.07993	0.8
157.10107	1.6
158.06038	1.4
158.09694	1.1
159.08028	1.8
159.09186	1.6
168.08086	7.9
169.08858	3.6
170.09660	0.9
171.02896	1.2
181.10033	0.7
182.09628	3.7
183.10428	11.8
184.09842	1.0
186.05400	1.0
186.11508	0.8
196.07567	1.4
197.08342	2.1
198.12785	7.6
199.08684	4.7
199.12321	1.2
210.09062	1.0
211.09943	4.9
212.09415	3.5
213.10234	8.0
214.10919	1.6
215.15419	2.4
225.13779	0.8
226.12332	13.9
227.08342	1.4
227.11798	27.8
228.12579	21.7
237.05827	0.8
240.08871	2.6
241.09761	2.1
241.13437	1.3
243.06653	0.9
243.14969	15.8
253.13397	1.7
254.11716	2.1
255.11295	53.4
256.12073	56.8
269.12915	2.1
271.06055	50.8
271.14410	100.0
272.06326	1.9
272.14688	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.2
56.05020	1.3
56.96566	57.0
57.07046	1.3
58.72942	0.8
60.08172	1.0
69.03417	1.3
69.33987	9.2
70.06567	2.5
71.04975	1.0
72.08149	2.4
79.05488	1.2
80.04986	1.6
83.04985	1.0
84.04511	9.5
84.08143	1.3
84.96033	3.0
85.02905	1.7
86.03580	1.0
86.09686	1.5
96.08143	1.1
97.05736	0.9
98.21590	1.8
98.97578	3.7
100.11234	2.3
107.06077	2.3
110.06048	1.0
110.07140	1.3
111.04435	1.1
116.07105	1.6
116.98619	3.7
124.99126	8.1
125.01707	1.9
126.01082	12.0
127.00713	1.8
130.04900	1.3
134.99609	1.7
135.05505	1.1
136.05869	1.1
141.02180	1.7
143.00159	47.5
143.03694	8.5
145.01695	2.6
157.01733	3.6
159.03278	4.0
161.01222	100.0
162.99173	2.7
163.02757	1.1
163.03903	1.9
169.01727	1.5
169.04259	1.9
169.06895	2.8
170.99664	6.8
175.02788	2.4
177.04289	1.6
179.02289	17.9
181.00134	1.2
183.04131	1.1
184.02800	2.8
184.04852	1.1
185.01212	16.4
185.09286	1.3
186.09572	2.9
187.02736	2.5
189.00719	19.7
196.09023	1.7
203.02255	12.9
207.01764	4.3
211.07518	1.7
213.00693	2.4
221.03352	2.4
226.03827	1.3
226.07390	1.6
228.11690	3.2
230.12135	5.4
231.01741	6.8
249.02827	45.8
255.05292	3.4
267.03879	69.5
272.04141	5.2
272.14502	7.7
275.47229	1.1
285.04919	34.9
290.05441	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	271.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
57.03421	0.1
64.24801	0.1
65.03932	0.3
67.01862	2.1
68.71836	0.1
68.99786	1.4
69.03455	0.2
69.64928	0.9
81.03400	0.1
81.07073	0.2
85.02911	0.1
91.05482	2.1
93.07056	0.1
95.04966	0.2
95.32122	0.1
97.02893	0.2
99.04420	0.1
105.07027	0.2
109.02882	0.2
111.00798	0.3
115.05398	0.2
119.04941	5.6
121.02871	2.1
125.02328	0.2
127.03879	0.3
129.01840	0.5
133.10144	0.3
137.02354	0.3
137.05983	0.1
141.06984	0.3
145.02827	2.1
147.04420	0.3
153.01830	11.5
153.06973	0.2
155.04871	0.2
157.06534	0.2
161.06006	0.4
163.03903	1.2
165.07002	0.8
169.06531	0.4
171.02898	2.6
171.11469	0.1
173.05957	0.2
181.06519	0.2
183.08066	0.6
185.05995	0.3
187.03946	0.4
187.07567	0.1
193.06451	0.2
196.05196	0.1
197.05971	0.4
201.05450	0.4
203.07068	0.6
211.03835	0.1
211.07498	0.6
213.15868	0.1
215.07085	0.1
225.05452	0.9
227.07584	0.1
229.04900	0.7
237.49297	0.1
239.07082	0.3
243.06424	0.8
247.06075	0.2
253.04948	0.2
271.06012	100.0
272.06387	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61980	0.1
65.03951	0.2
67.01869	1.6
68.99787	1.2
69.66305	1.0
69.66717	0.2
72.10336	0.2
81.03427	0.2
88.45069	0.1
91.05489	1.8
94.93227	0.1
111.00835	0.2
119.04955	5.0
119.08544	0.4
121.02866	2.0
125.02377	0.3
129.01840	0.5
133.76013	0.1
141.06987	0.2
145.02867	1.9
153.01839	10.6
153.06932	0.2
163.03947	1.3
165.07031	0.5
168.39087	0.1
169.06480	0.3
171.02876	2.1
183.08054	0.3
187.03845	0.2
196.68286	0.2
197.05962	0.4
203.07166	0.4
225.05492	1.0
229.05017	0.7
243.06534	0.9
247.05989	0.3
271.06024	100.0
272.06384	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.00408	0.3
57.90758	0.3
65.03915	0.4
67.01866	2.0
68.99796	1.2
71.27652	0.6
82.38985	0.3
83.63810	0.3
91.05490	2.0
119.04946	5.5
121.02891	1.6
129.01811	0.5
141.06960	0.4
145.02904	1.5
153.01836	12.3
163.03911	0.8
171.02936	1.5
197.06059	0.6
199.73808	0.3
225.05464	0.6
229.04958	0.8
243.06584	0.8
271.06021	100.0
272.06400	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	271.0597
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.01856	0.2
55.84517	0.2
65.03945	0.2
67.01864	1.7
67.05495	0.2
68.99782	1.2
69.03419	0.4
69.07072	0.2
69.59785	0.9
69.60199	0.3
70.06581	0.2
73.97240	0.1
79.05470	0.3
81.03412	0.2
81.07044	0.3
91.05473	1.9
92.90797	0.1
93.07046	0.2
95.04949	0.3
95.08604	0.5
105.07034	0.2
107.08578	0.2
109.02857	0.1
111.00811	0.2
112.07595	0.2
113.07812	0.1
115.05460	0.2
116.07081	0.3
119.04932	5.8
119.08553	0.8
121.02865	1.4
121.10107	0.2
123.08054	0.4
129.01846	0.4
131.04904	0.3
137.02330	0.2
137.05934	0.2
141.06963	0.4
145.02811	1.5
153.01819	9.7
153.06961	0.2
156.09282	0.2
163.03926	0.8
165.06973	0.7
168.05759	0.2
169.06497	0.3
171.02896	1.8
171.11655	0.2
183.08028	0.5
187.03923	0.4
197.05942	0.4
201.05588	0.2
203.06934	0.2
207.13809	0.3
211.07547	0.6
215.07001	0.2
217.12209	0.2
225.05452	0.8
226.24121	0.1
229.04913	0.5
235.13188	0.4
243.06381	0.9
247.06108	0.3
250.82434	0.1
253.04967	0.2
271.05991	100.0
272.06345	1.7
285.86108	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	271.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98235	0.1
55.01899	0.1
56.27071	0.1
60.09591	0.1
63.26907	0.1
65.03932	0.2
67.01524	0.1
67.01866	1.9
68.99786	1.4
69.00118	0.1
69.03429	0.2
69.32662	0.4
69.33086	0.4
81.03411	0.2
91.05479	2.0
95.04957	0.1
97.02904	0.1
98.21546	0.2
109.02865	0.2
109.44227	0.1
111.00822	0.2
111.04408	0.1
115.05461	0.1
117.03390	0.1
119.04942	5.5
119.17111	0.1
121.02866	1.9
124.07582	0.2
125.02339	0.1
127.03951	0.1
129.01828	0.4
131.04939	0.1
135.04419	0.3
137.02318	0.9
141.07004	0.4
145.02832	1.8
148.07581	0.2
153.01825	11.3
154.02232	0.1
155.03372	0.3
155.04816	0.1
157.06441	0.1
161.02325	0.6
163.03905	1.0
169.06377	0.4
171.02885	1.5
173.05907	0.1
185.05939	0.2
187.03891	0.5
197.06047	0.5
201.05490	0.2
203.07072	0.3
211.03926	0.1
214.98491	0.1
215.07021	0.1
225.05438	0.6
229.04932	0.5
243.06549	0.9
247.06068	0.2
253.04987	0.3
271.05997	100.0
272.06305	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34459	0.2
60.44997	0.2
67.01870	1.8
68.99784	1.4
70.87468	0.4
91.05473	1.5
97.02892	0.2
102.74307	0.2
119.04953	5.7
121.02884	2.0
129.01865	0.5
142.99997	0.2
145.02838	1.9
153.01836	11.1
163.03949	1.3
169.06448	0.3
171.02908	2.1
173.05959	0.2
187.03938	0.3
197.05994	0.3
203.07011	0.5
217.38919	0.2
225.05481	0.6
229.04979	0.6
238.06284	0.2
243.06502	0.9
256.01642	0.2
271.06018	100.0
272.06412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0594
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.39820	0.2
67.01863	1.5
68.99793	1.3
72.19814	0.1
84.44196	0.1
91.05475	1.5
94.46628	0.2
95.45620	0.2
111.00773	0.2
119.04942	5.2
121.02876	1.8
129.01836	0.3
141.06992	0.3
145.02852	2.0
153.01828	10.5
163.03900	1.0
169.06589	0.3
169.35231	0.2
171.02869	2.1
187.03842	0.2
197.06000	0.2
203.07118	0.3
225.05498	0.8
229.04971	0.5
231.90167	0.2
243.06557	0.6
247.06180	0.2
253.04973	0.3
271.06003	100.0
272.06326	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0591
Annotation	Apigenin
Peak:m/z	Relative Intensity
50.23689	0.1
55.05503	0.2
56.96537	0.2
63.76666	0.1
67.01534	0.2
67.01862	2.2
68.99790	1.6
69.03421	0.2
70.41648	0.6
72.80952	0.1
78.32104	0.2
79.05471	0.2
81.03403	0.2
81.07044	0.2
91.05484	2.1
93.07023	0.2
95.08591	0.4
105.07025	0.2
109.10194	0.2
109.78964	0.1
110.99446	0.1
111.00794	0.3
112.84187	0.2
119.04947	5.4
119.08579	0.3
121.02870	2.1
125.02331	0.2
129.01846	0.5
141.06992	0.3
145.02837	2.3
145.06364	0.2
153.01826	12.0
153.07021	0.3
157.06480	0.2
159.11650	0.2
163.03937	1.1
165.06998	0.7
169.06508	0.4
171.02913	2.3
181.06488	0.2
183.08014	0.2
187.03937	0.4
197.06070	0.4
201.05426	0.2
203.07109	0.2
211.07518	0.3
225.05508	0.8
229.04945	0.7
243.06468	1.0
247.05991	0.3
253.05112	0.2
271.06009	100.0
272.06348	1.7
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	Arteincultone
Peak:m/z	Relative Intensity
51.32023	1.2
53.03934	4.4
55.01872	3.5
55.05511	22.1
57.03440	35.0
57.07063	3.8
58.06199	1.2
60.92076	1.1
62.57408	1.4
65.03928	2.2
67.05505	80.6
69.03413	1.4
69.06729	2.0
69.07069	33.0
69.91605	3.6
69.92017	2.7
71.04992	8.2
71.08624	2.2
79.05496	43.5
81.03412	1.4
81.07059	100.0
83.04988	10.1
83.08620	23.2
84.39952	1.1
85.06534	6.7
91.04906	1.2
91.05480	26.5
93.07043	72.5
95.04958	8.5
95.08602	23.0
96.08961	1.2
97.06523	16.9
97.10165	2.0
99.08107	4.8
105.07031	9.9
107.04916	1.2
107.07862	2.3
107.08598	42.4
109.06493	3.1
109.10135	4.5
111.08082	9.5
113.09648	2.3
117.07007	10.5
117.37108	1.2
119.08569	4.3
121.06516	1.6
121.10144	22.3
123.11688	2.3
131.08595	10.0
133.10146	12.4
135.08038	4.7
135.11697	12.8
137.71422	1.1
139.11140	2.3
145.10129	1.4
147.11642	2.1
149.09564	1.4
149.13261	47.6
150.13667	1.3
151.11182	1.2
159.11684	18.4
161.13271	1.2
167.14296	2.3
177.12756	10.3
195.13834	10.9
213.14680	1.5
216.85890	1.1
254.05864	1.3
269.08069	5.9
269.17471	42.0
269.22412	2.4
270.08643	1.7
270.17847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	4.2
58.15613	0.5
64.10651	0.5
71.58189	0.6
71.58555	0.5
73.39702	0.6
98.97581	6.9
103.00624	1.2
116.98620	10.5
119.01931	3.4
120.01983	0.7
121.00896	0.8
121.01678	10.5
121.02480	0.4
131.55406	0.6
134.01154	0.5
134.98053	0.6
134.98799	0.7
134.99680	12.2
137.02943	1.3
139.02702	4.2
146.40492	0.5
149.01302	0.6
153.00679	2.9
154.32239	0.5
158.99876	1.2
162.99385	0.7
174.97662	0.7
177.00963	26.2
178.01025	1.9
178.95145	0.6
179.00732	2.9
180.00743	3.5
181.00446	21.1
190.95352	0.9
192.98630	1.6
203.02530	10.7
204.02655	0.6
205.00372	1.3
210.99278	1.3
216.98856	1.1
219.02039	6.3
220.02007	1.0
221.01743	2.9
221.03632	2.7
222.01907	4.0
223.01497	22.1
224.01958	0.6
229.00397	4.4
234.99788	2.9
236.00000	0.8
236.53676	0.6
246.03137	0.8
247.01497	66.9
248.01639	3.2
256.96860	0.7
261.03018	3.5
263.02798	0.7
264.02991	7.2
265.02658	100.0
266.03024	1.3
267.45648	0.5
270.03125	3.7
272.94406	0.8
274.97382	1.3
277.00702	1.4
277.48557	0.6
278.98923	0.5
288.04227	3.7
288.92108	1.6
290.95331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12012	0.9
53.03931	2.7
55.01855	3.6
55.05508	22.4
55.05920	1.0
56.96552	1.4
57.03437	38.7
57.07071	5.0
57.91381	1.0
65.03918	1.2
67.05503	75.9
69.03415	2.1
69.07067	36.2
70.20060	4.7
71.01342	1.4
71.04983	5.6
71.08628	1.3
79.05492	48.3
81.03409	2.9
81.07055	100.0
83.04969	11.6
83.08617	18.4
85.06543	6.7
91.04975	1.7
91.05482	24.0
93.07040	71.7
95.04981	8.3
95.08605	24.9
97.02850	1.1
97.06522	15.7
97.10152	3.0
98.21467	1.3
99.04465	1.0
99.08076	4.0
105.04424	0.9
105.07014	8.7
107.08591	37.0
109.06481	6.1
109.10162	5.9
110.53038	1.0
111.08076	10.2
111.11689	1.9
113.06022	1.1
113.09607	2.2
117.07010	10.3
119.08549	4.5
121.06479	1.7
121.09328	1.9
121.10142	26.0
123.08064	1.3
123.11694	2.6
125.09553	1.2
127.07458	1.3
131.08559	12.6
133.10117	10.7
134.99681	1.1
135.08014	3.0
135.11681	10.8
139.07550	1.3
139.11182	2.4
145.10172	1.6
147.11598	2.2
149.09564	1.9
149.13258	51.0
151.11165	2.0
155.08527	1.2
157.10091	1.8
159.10457	1.7
159.11688	24.0
167.14360	2.2
171.11676	1.1
177.12759	10.7
181.06415	1.3
185.13173	1.6
195.13785	11.9
269.04660	1.2
269.08011	6.4
269.12985	1.5
269.17429	38.6
269.22513	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03925	2.9
55.01855	3.6
55.05509	21.2
55.85304	0.8
56.29389	0.8
57.03434	36.4
57.07076	5.1
65.03914	1.8
67.05504	77.2
69.03409	1.0
69.07069	33.1
71.05002	6.6
71.08620	1.7
73.02914	1.1
79.05492	50.9
80.05832	0.8
81.03419	2.1
81.07056	100.0
82.07393	0.8
82.51687	0.8
83.04984	12.1
83.08151	1.2
83.08618	21.3
85.06555	6.4
91.05479	26.9
93.07042	75.9
95.04972	8.2
95.08603	29.0
97.06526	17.2
97.10140	1.9
98.20796	1.9
99.08082	4.9
105.07023	9.6
107.04978	1.1
107.08589	40.4
109.06511	3.8
109.10139	4.4
111.08070	11.0
111.11724	1.4
113.05978	1.0
113.09607	1.4
117.07020	11.9
119.08562	3.3
121.06501	1.9
121.10137	28.2
123.11691	2.9
125.09567	1.4
128.97638	0.9
131.08560	10.4
133.10139	7.2
135.08022	2.6
135.11682	11.9
139.07550	0.9
139.11179	2.7
143.08545	1.0
145.10155	1.1
147.11656	2.6
149.09612	1.4
149.13261	55.2
157.10051	1.0
159.11690	23.8
167.14301	2.6
177.12741	11.9
181.06393	0.9
195.13782	14.0
269.04568	1.0
269.08133	3.2
269.17447	43.0
269.22202	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.01859	2.8
55.05513	21.6
57.03437	43.6
57.07074	5.4
62.64364	2.3
67.05505	72.3
69.07065	31.9
69.37446	15.1
69.37873	7.7
71.04990	7.0
79.05495	47.2
81.07057	100.0
83.04987	7.7
83.08627	15.2
84.56493	2.8
85.06555	6.9
91.05472	24.2
93.07038	78.1
95.04967	7.2
95.08607	27.9
97.06532	13.4
97.10185	4.9
99.08116	3.5
104.99299	8.8
105.07041	5.7
107.08591	38.2
109.06535	5.9
109.10125	3.7
111.08095	10.3
112.06478	2.3
113.09662	2.5
117.07036	10.4
121.10153	21.7
131.08568	10.1
133.10126	7.7
135.11688	11.9
137.46594	2.4
138.92401	2.7
139.11176	3.0
149.13268	49.1
159.11707	18.6
177.12770	10.9
195.13809	10.4
261.13058	2.7
269.17459	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	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02381	1.0
53.03932	4.1
55.01863	3.5
55.05509	23.0
56.15731	0.9
56.23362	0.9
57.03439	38.5
57.07077	5.2
64.31448	1.0
65.03932	3.2
67.05504	88.0
69.03423	2.1
69.07069	36.7
70.86194	2.3
70.86549	1.4
71.05000	7.1
71.08630	3.4
79.05495	49.8
79.50636	1.0
80.39763	0.9
81.03404	1.4
81.07056	100.0
83.04979	9.0
83.08623	19.3
85.06548	5.2
86.09718	1.2
91.05476	28.0
93.07042	80.6
95.04972	8.6
95.08604	29.9
97.06521	17.0
97.10171	1.9
99.08076	5.0
105.04495	1.2
105.07030	11.0
105.33575	1.0
107.04912	1.2
107.08595	40.4
109.06505	4.5
109.10152	6.1
111.08077	11.3
111.11687	1.7
113.05959	1.2
117.07037	9.3
119.08588	3.6
121.06500	2.9
121.10138	23.5
123.11701	3.6
125.09701	1.7
129.07028	1.7
130.85965	1.0
131.08580	11.9
133.10120	10.4
135.08041	2.1
135.11694	10.6
139.11205	2.7
145.10165	1.3
147.11696	3.2
149.09627	1.4
149.13252	53.5
151.11157	1.4
159.11693	23.5
161.13287	1.2
167.08607	1.4
167.14328	1.9
171.11635	1.2
177.12701	9.0
179.14262	1.0
181.06552	1.0
195.13809	11.2
213.05551	1.6
213.14752	1.8
241.05023	3.3
269.04605	3.5
269.08078	9.0
269.17490	37.8
269.22549	3.1
272.28207	0.9
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
52.18992	1.7
53.03941	2.2
54.51361	1.5
55.01864	3.3
55.05310	1.4
55.05514	17.6
57.03437	30.1
57.07072	3.3
60.00650	1.4
62.10369	1.3
65.03925	1.9
67.05505	73.6
69.07070	31.1
69.28519	4.9
69.28938	12.3
71.04970	5.8
71.08646	1.8
71.45130	1.4
79.05491	44.3
81.07056	100.0
82.12903	1.6
83.04977	8.5
83.08613	18.6
85.06535	5.5
91.05474	24.4
91.21616	1.6
93.07044	64.5
93.07636	3.3
95.04950	6.2
95.08607	24.9
97.06531	14.1
97.10161	1.6
99.08078	5.2
105.07044	10.2
107.08591	32.7
109.06513	3.2
109.10134	3.6
111.08083	8.4
117.07009	8.9
119.08581	3.1
120.49866	1.5
121.06484	2.0
121.10136	21.1
123.11684	3.8
131.08556	9.7
133.10130	9.2
135.08066	2.5
135.11723	10.2
149.13263	36.5
149.14291	1.4
151.11121	1.7
159.11707	20.7
177.12775	9.0
195.13828	12.8
200.13445	1.5
200.31201	1.3
208.63350	1.7
227.06969	3.2
269.08197	2.9
269.17459	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.20556	1.4
53.03952	3.4
55.01859	4.3
55.05510	21.1
57.03436	36.2
57.07069	6.9
60.94883	1.7
65.03942	2.0
65.54360	1.5
67.05506	76.7
68.99760	1.3
69.07067	33.2
69.65206	1.5
71.04983	7.0
71.60308	2.3
79.05492	46.4
81.03410	2.4
81.07056	100.0
83.04983	11.0
83.08620	20.6
85.06537	7.0
91.05481	22.7
93.07044	76.1
95.04948	7.7
95.08618	24.4
97.06525	14.4
97.10148	2.6
99.08098	5.2
105.07041	10.2
107.08595	39.4
109.06525	4.6
109.10196	3.8
111.08083	11.5
111.11706	2.5
117.07040	7.4
119.08578	3.4
121.06516	1.7
121.09334	2.1
121.10136	24.1
123.11665	1.8
131.08549	11.1
133.10146	9.2
135.08028	3.0
135.11690	11.8
139.11186	2.8
147.11758	1.7
149.13261	49.2
157.10083	1.6
159.11707	19.8
177.12758	11.1
182.10966	1.4
195.13805	12.7
213.14815	2.5
269.17477	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03932	3.7
55.01851	3.1
55.03407	0.8
55.05510	22.9
57.03437	32.6
57.07055	3.8
65.03924	2.2
65.76169	0.8
67.05505	83.9
67.41032	0.8
69.03419	1.4
69.07069	29.3
70.85300	1.9
70.85671	1.7
71.05003	6.6
77.03909	1.3
78.71769	0.8
79.05494	51.6
81.03380	3.2
81.07056	100.0
83.04986	10.0
83.08156	1.5
83.08617	20.9
85.06543	6.5
87.06070	0.9
91.05480	26.4
92.08666	0.8
93.07046	69.8
94.07390	1.2
95.04968	9.3
95.08604	26.4
97.06532	18.0
97.10142	2.2
99.04441	1.2
99.08061	4.6
105.04478	1.2
105.07024	11.9
107.07887	1.8
107.08593	36.4
109.06499	3.9
109.10168	6.1
111.08078	10.4
111.11710	1.1
113.06010	1.5
117.07014	12.0
118.04137	2.3
119.08588	5.0
121.06457	2.2
121.10141	18.2
123.11678	3.3
131.08571	12.8
133.10136	12.9
135.08026	1.7
135.11685	11.2
139.11140	2.5
143.08650	1.2
147.11711	2.1
149.09587	1.5
149.13258	41.6
151.11143	2.1
154.02544	1.1
157.10071	1.0
159.11690	24.8
167.14317	1.5
171.11569	1.2
173.13194	1.4
177.12733	10.1
195.13811	12.7
213.08986	2.8
213.14761	1.1
226.06216	2.9
237.05388	3.1
253.04991	3.2
254.05724	2.8
269.08081	30.0
269.17422	44.2
269.22394	1.8
270.00488	0.9
270.08432	2.2
270.17755	1.4
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	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01853	4.1
55.05265	1.5
55.05510	20.7
56.99889	0.9
57.03436	41.8
57.07076	5.6
65.03930	2.6
65.34558	1.1
67.05503	79.1
69.03417	1.4
69.07068	36.2
71.04993	5.6
71.27792	2.8
79.05491	51.9
81.03399	3.5
81.07056	100.0
83.04981	10.5
83.08164	0.9
83.08620	18.1
85.02896	1.8
85.06548	6.1
91.05477	26.4
93.07043	78.2
94.07366	1.6
95.04964	10.0
95.07992	1.3
95.08604	25.0
97.06525	14.1
97.10141	3.0
99.08070	4.0
105.07030	11.9
107.04929	1.5
107.07867	2.3
107.08591	43.7
109.06509	4.3
109.07185	1.2
109.10156	5.0
111.08086	9.3
111.11706	2.1
113.05975	1.8
113.09633	1.2
117.07024	7.9
119.08556	3.2
121.06499	2.2
121.10143	26.6
123.08012	1.5
123.11678	3.9
125.09660	1.1
131.08572	9.7
133.10124	10.2
135.08058	2.2
135.11697	10.2
139.07503	1.2
139.11134	2.7
141.62994	1.1
143.08565	1.9
147.11676	3.9
149.13258	49.4
150.48471	1.0
151.11063	1.4
157.10083	1.8
159.11679	22.7
167.14304	1.3
171.11531	1.1
177.12747	9.0
192.84789	1.3
195.13815	11.9
198.94785	0.9
226.06169	1.1
241.04716	1.0
241.08481	1.3
243.17644	1.1
269.05402	1.5
269.08020	7.6
269.17432	42.6
269.22583	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.78881	1.1
53.03924	4.1
55.01868	4.2
55.05264	1.7
55.05512	22.7
57.03155	1.6
57.03438	28.6
57.07057	3.9
65.03928	2.1
67.05508	75.7
69.07071	24.5
70.67031	4.1
71.04991	6.6
72.51762	1.3
79.05497	50.2
81.03398	1.7
81.07059	100.0
83.04991	8.6
83.08615	19.7
85.06528	4.7
91.05485	24.8
93.07045	66.9
95.04974	7.4
95.08611	20.0
97.06532	15.0
97.10171	2.8
98.21430	1.5
98.97668	1.3
99.04484	1.3
99.07074	1.3
99.08088	4.4
105.07021	11.5
105.82955	1.3
107.04974	2.3
107.08600	31.0
109.06516	2.5
109.10173	5.4
111.08069	9.1
113.09634	2.0
117.07008	11.1
119.08558	2.0
121.06485	1.5
121.10143	19.1
123.11714	3.0
129.06970	1.3
131.08580	11.4
133.10155	13.0
135.08057	2.2
135.11710	9.4
147.11646	2.1
149.13261	41.6
151.03914	6.1
151.11205	1.7
159.11684	21.9
170.07207	1.6
177.12744	11.7
182.07339	2.1
183.02287	1.4
195.13797	13.0
198.06731	2.2
213.09149	8.2
226.06221	7.7
241.08727	2.6
269.08099	64.5
269.17484	48.0
270.08383	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03940	5.5
55.01860	2.6
55.05508	19.6
57.03437	38.9
57.07067	3.7
57.96447	1.3
67.05505	84.1
69.07068	30.3
69.75361	7.6
71.04977	10.4
71.08637	2.1
72.97584	1.4
79.05494	52.6
81.03429	2.5
81.07058	100.0
83.04963	10.3
83.08620	22.1
85.06532	7.0
85.83572	1.5
91.05489	32.5
93.07043	75.4
94.07336	1.8
95.04965	8.4
95.08611	26.7
97.06526	18.3
97.10172	3.7
99.04497	1.6
99.08095	4.5
105.07030	12.1
107.08598	43.3
108.23299	1.6
109.06501	3.2
109.10168	5.8
111.08081	8.9
114.39211	1.5
117.07008	11.6
119.08569	4.2
121.06508	1.9
121.10124	22.2
123.11692	3.6
124.93659	1.5
126.95728	1.5
131.08582	10.5
132.38304	1.4
133.10149	16.7
135.08084	2.1
135.11687	12.6
139.11206	2.4
140.85371	1.5
144.09576	1.5
147.11757	2.9
149.09555	1.9
149.13246	48.3
149.14372	3.4
151.11136	2.4
159.11693	18.3
163.80383	1.5
177.12767	9.4
180.81389	1.7
195.13828	12.5
198.64244	1.7
200.05437	1.5
254.05836	2.5
269.08139	17.9
269.17465	51.2
270.18063	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03939	3.9
54.88630	1.7
55.01869	2.8
55.05264	2.2
55.05512	24.9
56.96561	2.2
57.03437	23.3
57.07066	3.1
65.03931	4.1
67.05508	83.5
69.03416	1.8
69.07072	25.0
71.04980	5.8
71.08614	2.1
79.05492	46.8
80.05848	1.8
81.03415	3.5
81.07059	100.0
83.04977	10.0
83.08620	21.1
85.06534	6.3
86.09693	2.3
91.05482	39.7
93.07045	73.8
95.04964	11.0
95.08604	24.0
97.06532	18.4
97.10167	3.4
98.21507	5.3
99.08089	6.3
105.07031	15.5
107.04973	1.8
107.08595	37.9
109.06509	5.4
109.10151	5.6
111.08072	9.9
113.05976	1.9
117.07032	15.1
119.08563	6.3
121.10114	14.3
123.11698	2.9
129.07025	1.6
131.08565	18.8
133.10121	19.7
135.08064	4.0
135.11702	14.4
139.11203	1.5
145.10141	2.7
147.11679	3.1
147.80450	1.4
149.09688	1.5
149.13271	38.9
151.11169	3.3
153.09149	1.4
157.10214	3.2
159.11700	28.7
161.13304	2.7
165.06892	1.5
167.03389	9.3
167.14380	1.6
171.11679	1.8
173.13216	2.2
177.12767	17.3
185.13300	1.3
195.13824	14.4
199.14812	2.3
209.04405	1.7
213.14771	2.1
213.16573	1.9
226.06267	2.8
251.07092	2.6
251.20177	1.5
264.65427	1.3
268.73953	1.5
269.05032	1.7
269.08090	19.7
269.12793	2.5
269.17413	44.5
269.22629	5.8
270.05014	1.6
270.08475	1.3
270.17938	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	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01862	1.8
55.05265	1.4
55.05507	22.2
56.96575	1.3
57.03435	33.3
57.07051	3.8
58.90393	1.1
65.03925	2.9
67.05502	82.4
69.07066	30.9
71.04993	6.1
71.08633	1.5
71.10960	2.4
75.26257	1.2
79.05490	51.1
81.03413	2.4
81.07053	100.0
83.04980	8.0
83.08209	1.4
83.08618	17.5
85.06524	5.1
91.05478	27.9
93.07040	76.9
95.04971	10.0
95.08056	1.9
95.08609	28.9
97.06541	17.0
97.10128	1.5
99.08083	4.2
105.06516	1.1
105.07034	12.8
107.08590	37.8
109.06499	4.2
109.10146	4.9
111.08043	10.1
111.11684	1.9
113.05959	1.6
113.09688	2.3
117.07008	11.5
119.08572	3.1
121.06383	1.3
121.10129	20.3
123.11727	3.3
131.08574	12.0
133.10129	9.0
135.08026	2.4
135.11678	12.9
139.11124	1.6
141.29163	1.2
145.10124	1.9
147.11639	2.4
149.13252	43.6
151.11124	1.6
153.08992	1.3
157.10077	1.4
159.11682	24.1
161.13179	2.4
167.14343	1.4
177.12744	9.4
179.55887	1.2
181.32408	1.2
195.13795	13.6
249.59885	1.5
269.05219	1.5
269.07944	7.7
269.17435	47.6
269.22583	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	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03928	3.2
55.01847	3.1
55.05266	1.3
55.05511	21.3
56.96545	1.3
57.03438	29.0
57.07061	5.3
61.94753	1.0
65.03936	2.0
67.05504	71.8
67.98323	1.1
69.06725	1.8
69.07068	26.7
71.04990	6.7
71.08614	1.9
79.05495	47.7
81.03381	2.7
81.07056	100.0
83.04985	11.3
83.08147	1.9
83.08617	18.4
85.06528	5.2
85.16634	1.0
91.05479	24.4
93.07042	64.7
95.04955	7.3
95.08602	24.1
95.64296	1.1
97.06543	13.5
97.10173	2.8
99.08079	4.3
105.07034	9.5
107.07868	1.7
107.08589	33.5
109.06509	1.8
109.10154	5.0
111.08077	8.4
117.07005	9.9
119.08549	2.8
121.06524	1.7
121.10147	18.7
123.08093	2.3
123.11678	4.2
126.43111	1.2
131.08556	11.0
133.10127	13.1
135.08009	2.4
135.11714	10.5
147.11688	1.9
149.09602	1.3
149.13269	41.6
151.11110	2.5
157.10086	1.6
159.10468	1.3
159.11693	18.8
177.12746	9.0
195.13777	12.2
213.14905	1.5
252.36584	1.3
269.08200	2.7
269.17465	44.0
269.22424	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03940	4.0
55.01867	3.6
55.05265	1.7
55.05512	24.3
56.96556	1.7
57.03436	39.1
57.07061	5.4
57.39064	1.4
65.03946	2.6
67.05505	81.3
68.05826	1.3
68.85879	1.4
69.03417	1.4
69.07068	37.8
70.66830	3.9
71.04995	6.3
74.00647	2.1
79.05491	52.1
81.03414	3.2
81.07057	100.0
83.04990	10.5
83.08620	21.0
85.06563	6.1
91.05479	28.5
91.06011	0.8
93.07046	78.6
95.03704	1.3
95.04945	9.7
95.08053	1.9
95.08611	27.2
97.06534	18.5
97.10175	2.8
99.08092	3.2
104.42952	1.3
105.07012	11.1
107.08595	42.8
109.06513	2.8
109.10150	5.2
111.08086	11.4
117.07023	12.1
119.08601	2.4
121.10144	24.5
123.11702	3.1
131.08554	14.1
133.10127	13.9
135.08095	2.9
135.11703	11.4
139.11227	2.8
139.40060	1.3
147.11642	2.7
149.13261	50.2
159.11693	20.4
161.13237	1.5
177.12756	9.5
188.79050	1.3
195.13799	11.1
235.41237	1.3
238.06714	2.0
254.05800	1.5
269.08047	4.0
269.17435	41.7
281.66418	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.75312	1.3
53.03936	3.3
54.70262	1.4
55.01855	2.8
55.05510	20.1
57.03437	31.6
57.07069	3.6
65.03938	3.2
67.05506	75.3
69.06734	2.4
69.07068	28.9
70.73402	4.2
71.04993	8.1
71.08588	2.5
77.03923	1.6
79.05492	47.5
81.03371	2.1
81.07055	100.0
83.04977	14.4
83.08212	1.6
83.08624	18.5
85.02893	1.6
85.06519	6.2
91.04977	2.3
91.05486	27.3
93.07043	71.9
95.04958	8.8
95.08058	1.8
95.08607	24.6
97.06539	18.0
97.10123	2.0
99.08070	4.1
105.07013	7.8
107.04960	2.0
107.08596	37.5
109.06476	3.9
109.10136	4.7
111.08073	9.7
115.11212	1.4
117.07008	10.9
119.08605	2.3
121.06499	3.0
121.10152	24.1
123.11673	4.6
131.08560	11.5
133.10135	13.9
135.08040	1.9
135.11705	10.1
147.11604	2.7
149.09540	1.7
149.13258	41.7
151.11171	1.7
159.11681	20.3
161.05499	1.4
177.12762	7.5
195.13805	12.4
213.14763	2.2
251.19972	2.6
269.08060	1.6
269.17435	53.2
269.21921	2.1
275.55753	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	3.9
55.01865	4.5
55.05270	1.7
55.05514	25.1
56.96568	1.0
57.03439	34.4
57.07062	4.3
65.03930	2.2
67.05507	80.0
69.07073	31.7
71.01365	1.5
71.04993	7.1
71.60316	1.0
73.02858	1.2
79.05498	50.7
81.03400	2.8
81.07059	100.0
83.04985	17.4
83.08622	17.2
85.06552	5.6
86.85174	1.1
91.05486	31.0
93.07049	74.7
95.04983	9.7
95.08611	28.6
97.06544	16.4
97.10178	2.0
99.08089	3.6
105.07034	11.2
107.08601	42.2
108.08887	1.0
109.06535	3.7
109.10139	4.8
111.08071	9.3
111.11714	1.7
113.05966	1.8
113.09691	1.7
117.07020	11.4
119.08580	4.9
121.10149	19.3
123.08051	1.6
123.11672	3.4
129.07004	2.3
131.08569	14.6
133.10147	14.5
135.08070	3.0
135.11708	13.4
137.02330	1.8
139.11224	1.4
141.06894	1.2
147.11684	2.9
149.09631	1.9
149.13260	41.1
151.11223	1.7
157.06555	1.2
157.10114	1.5
159.11700	21.6
167.14343	2.0
171.08084	1.8
177.05455	1.2
177.12756	8.9
181.06503	1.4
184.77238	1.2
185.06036	2.8
193.06548	1.1
195.13823	13.2
199.07524	8.3
205.06468	1.2
213.14854	1.4
223.07414	1.3
224.66417	1.2
227.06985	9.6
251.07021	3.4
269.08044	13.3
269.17465	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22950	1.7
69.89628	10.9
87.92064	1.6
94.31582	1.9
94.93016	4.4
97.64394	1.7
112.89609	70.8
112.90397	3.5
134.60910	1.5
136.94029	5.4
162.95580	3.3
176.93478	2.3
178.97165	2.1
189.00087	4.6
213.00237	2.5
227.01810	2.0
240.70956	1.8
268.98239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
53.26273	0.3
54.38475	0.3
55.01878	1.2
55.05520	1.4
56.05053	0.6
57.03437	0.3
57.07082	0.4
67.05514	1.2
69.07065	1.6
69.23701	0.3
70.06606	0.8
71.04978	0.3
71.60171	0.3
71.60530	0.4
72.04509	2.0
73.02927	1.4
74.06088	0.5
79.05496	1.9
79.97096	0.3
80.05044	0.3
80.05861	0.3
81.03423	0.9
81.07050	1.7
82.06579	0.7
83.00968	0.3
83.04979	0.7
83.08620	0.6
84.08147	0.3
85.02905	0.3
86.09715	0.4
91.05490	1.3
93.03727	0.4
93.07048	3.6
94.06576	1.8
94.95747	0.3
95.04950	0.4
95.07324	0.4
95.08603	1.8
96.08145	0.6
97.06557	0.6
98.97601	0.4
99.08090	0.3
100.04002	0.3
102.05534	0.7
105.07056	0.8
107.08613	1.7
108.08121	10.9
109.08939	0.8
109.10171	0.6
110.06043	0.5
110.09705	0.7
119.08596	0.8
122.09672	8.6
123.10471	1.6
124.11243	1.6
133.10153	0.5
135.04411	0.3
135.08000	0.4
135.11685	2.4
136.11209	3.9
137.05960	0.5
137.13274	0.6
140.07101	0.5
145.10213	0.3
150.09105	0.4
150.12781	17.7
151.13571	7.8
152.07111	1.3
152.14447	0.5
153.12755	0.3
154.08603	0.5
156.10175	0.7
164.14388	0.6
166.08640	0.5
167.09412	0.5
168.10197	0.5
170.08221	0.4
170.11765	1.0
178.15895	4.5
180.10193	1.3
182.11771	1.6
185.04436	0.3
194.11703	3.2
195.12531	1.0
195.16344	0.3
196.13376	0.6
196.16882	0.4
222.14888	2.0
224.16461	100.0
225.16861	1.7
226.18030	4.3
226.20168	0.5
237.04852	0.3
250.14383	0.5
263.47388	0.3
268.19070	50.1
269.19498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
55.05510	0.7
56.96563	0.4
57.03433	0.6
65.03918	0.3
67.05524	0.2
69.03424	0.3
69.07062	0.4
70.06586	0.5
70.85005	0.7
79.05482	1.2
81.03424	0.4
81.07058	3.5
83.04993	0.3
83.08604	0.3
84.04485	0.4
84.08137	0.8
85.02892	0.4
85.06568	0.3
86.09678	0.4
87.04480	0.3
88.04013	0.3
91.05462	1.4
93.07071	0.3
95.04972	0.4
95.08626	0.4
97.06545	0.4
102.05525	0.2
105.07022	0.4
107.04942	0.5
107.08575	0.2
109.05120	0.9
109.06506	0.4
110.03534	2.9
115.89719	0.2
116.98600	0.3
119.04913	0.3
120.08102	0.5
121.02867	0.7
121.06474	0.4
124.03982	0.3
124.07600	0.3
128.04556	2.7
131.04799	0.3
134.04567	0.4
134.99670	0.2
135.03021	2.1
136.06232	0.4
136.07565	1.5
137.05923	0.4
147.04420	2.4
152.05670	100.0
153.04071	13.3
153.05943	0.4
154.02524	0.3
163.07625	0.3
165.05534	0.8
167.03372	0.7
177.05519	0.4
178.08670	0.4
190.48642	0.2
191.07040	0.6
219.06467	0.4
222.07623	0.3
222.11136	0.3
224.16449	0.9
250.10728	0.4
250.12924	2.3
251.09190	0.8
254.80351	0.2
268.14038	16.0
268.19089	1.0
269.08121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Vidarabine
Peak:m/z	Relative Intensity
55.01864	0.6
55.05500	0.2
55.93527	0.3
56.96562	1.3
57.03432	0.9
61.02923	0.4
63.19937	0.2
67.05518	0.3
67.59015	0.1
69.03439	1.0
69.07067	0.3
69.61488	0.4
69.61903	0.8
70.06583	0.5
71.01361	0.3
71.08614	0.2
73.02905	0.4
79.33143	0.2
81.03397	0.5
81.07040	0.2
84.04506	0.3
84.08147	0.5
84.96034	0.3
85.02912	1.8
86.09690	0.3
87.04479	0.2
88.04001	0.3
91.05812	0.3
93.03712	0.5
93.07066	0.2
94.04041	0.4
97.02877	0.6
98.06050	0.2
98.21529	0.2
98.97593	0.3
107.04965	0.4
109.02847	0.6
110.07167	0.3
112.07616	0.2
116.98620	0.4
119.02454	0.2
119.03573	0.8
120.08119	1.2
121.07716	0.2
121.08418	1.3
127.03930	0.3
128.98586	0.2
132.95831	0.2
133.04971	0.3
134.99649	0.2
135.04437	0.2
136.06186	100.0
137.02402	0.3
137.03574	0.3
137.04587	0.9
137.06622	0.3
144.98132	0.2
149.01250	0.2
150.05530	0.3
151.05890	0.2
153.05438	0.2
161.01192	0.4
162.05438	0.2
163.03886	0.7
163.12341	0.9
167.03418	0.2
173.01312	0.3
173.02895	0.2
177.04059	0.2
178.05821	0.2
181.96616	0.6
186.04538	0.2
199.97685	0.7
203.02415	0.3
206.11812	0.5
206.13736	0.3
209.04518	0.2
219.01828	0.3
229.00145	1.1
236.13925	0.2
241.98808	0.3
244.97401	0.3
247.01398	0.3
263.00720	0.2
268.10361	3.7
268.13297	0.2
268.20111	0.2
269.05460	0.2
271.01230	0.7
285.97690	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	267.1589
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03940	4.0
55.01877	3.2
55.05512	7.5
56.96573	1.5
57.03439	19.0
63.14724	0.6
65.03947	1.0
67.05502	14.0
69.03429	2.9
69.07068	4.0
69.74300	3.2
69.74713	1.1
71.04987	2.3
72.08183	0.7
74.19435	0.7
79.05059	0.9
79.05500	14.0
81.03418	100.0
81.07053	13.7
83.04986	6.1
83.08624	13.4
85.06544	1.0
88.03983	0.9
91.05484	18.4
91.06013	1.4
92.05787	1.0
93.07038	9.4
95.04970	18.7
95.08604	5.6
97.02913	1.9
97.06542	2.5
97.10181	1.3
98.97591	1.0
105.07035	12.8
107.04964	4.4
107.08591	5.9
109.06514	3.7
109.08469	0.6
109.10178	2.0
111.04432	1.8
111.08087	5.6
115.05446	1.6
117.07030	2.1
119.04913	1.0
119.08581	11.8
120.08089	2.3
120.08900	0.9
121.06496	2.6
121.10162	5.4
123.08074	2.1
125.09599	0.9
128.06189	1.1
129.07008	8.6
131.08578	6.9
133.06480	2.9
133.10117	4.7
135.08096	0.7
135.09987	0.8
137.09601	2.1
142.07794	1.6
145.10135	1.7
147.08052	2.2
147.11673	8.9
149.09598	3.7
155.08493	0.9
157.10121	8.7
163.11162	1.5
165.12772	2.6
170.05547	0.7
175.11192	6.9
180.10179	1.0
193.12239	16.2
196.09714	1.1
197.10013	1.5
199.11583	1.1
211.13231	2.9
243.08762	0.8
246.13777	0.7
249.14850	1.5
267.06470	1.0
267.15860	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03935	3.2
55.01861	1.3
55.05506	7.9
57.03437	20.6
57.07063	1.1
65.03906	0.9
67.05505	13.5
69.03416	2.3
69.07050	3.3
69.36898	8.4
71.04960	1.4
79.05496	15.0
81.03420	100.0
81.06596	1.1
81.07063	16.8
83.04981	5.8
83.08152	1.1
83.08620	14.0
91.05481	17.6
93.07041	7.3
95.04974	20.3
95.08588	6.6
95.12560	0.8
97.02893	1.8
97.06525	1.6
97.10170	1.6
105.07032	15.7
107.04928	4.3
107.08607	4.4
109.06519	3.0
109.10149	1.3
111.04405	1.1
111.08112	6.0
115.05430	1.3
119.08595	12.9
121.06494	1.7
121.10144	5.0
123.08086	2.3
123.11689	2.0
129.07005	6.3
131.08540	7.5
133.06488	2.7
133.10117	3.7
137.09627	1.1
142.07765	2.5
145.10124	1.3
147.08028	2.6
147.11684	9.8
149.09601	3.4
157.10147	7.5
165.12749	2.8
175.11206	9.4
193.12242	19.8
194.58405	0.8
197.67534	0.8
197.79237	0.9
211.13287	1.6
249.14944	1.2
267.15912	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03947	3.2
55.01858	1.9
55.05514	7.2
56.96571	0.6
57.03148	1.3
57.03433	20.4
57.07081	1.1
65.03931	0.7
67.05502	13.4
69.03418	1.9
69.07064	4.1
69.93383	0.7
70.99914	0.6
71.04987	1.9
71.11302	1.6
79.05489	12.4
81.03413	100.0
81.07053	16.1
83.04977	5.8
83.08620	14.8
85.06563	0.8
91.05479	18.3
93.07053	6.7
95.04963	23.3
95.08605	6.6
97.02882	2.4
97.06534	1.9
97.10166	3.0
99.08069	1.0
100.63486	0.6
105.07030	14.0
107.04959	4.5
107.08624	3.7
109.06499	3.3
109.10133	3.1
111.04453	1.4
111.08085	7.6
115.05426	0.7
117.07000	1.5
119.04967	0.8
119.08568	13.2
121.06493	2.5
121.10140	4.3
123.08083	1.5
123.11732	1.7
125.09642	0.8
128.06238	0.8
129.07011	7.1
131.08559	7.8
133.06497	2.6
133.10121	3.5
137.09628	1.8
137.13167	0.7
142.07761	1.9
145.10069	1.1
147.08034	2.5
147.11678	7.7
149.09619	4.8
155.08443	0.9
157.10112	8.4
165.12791	2.0
175.11172	8.3
176.63278	0.8
183.06558	1.6
193.12242	20.1
200.07777	0.6
211.13286	2.8
223.13290	0.6
249.11162	0.7
249.14804	1.3
249.18703	0.7
267.15897	46.4
267.20798	1.4
267.26904	1.1
285.09988	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03953	4.2
55.01880	1.8
55.05511	8.8
56.44085	0.7
57.03438	19.4
67.05500	12.7
69.03427	2.1
69.07056	4.2
69.43559	7.1
71.04992	1.8
79.05493	11.2
81.03417	100.0
81.07059	12.7
83.04980	5.7
83.08615	14.4
83.17168	0.8
85.06556	1.2
86.47790	0.7
91.05479	18.1
93.07041	7.5
95.04967	21.5
95.08597	4.5
97.02891	3.0
97.06528	1.7
97.10180	2.1
98.21579	1.0
99.08138	1.1
105.07028	13.4
107.04958	4.6
107.08597	3.2
109.06480	3.7
109.10168	1.4
111.04417	1.5
111.08062	5.3
115.05442	1.0
117.07008	1.4
118.32017	0.7
119.04948	0.9
119.08578	13.0
121.06478	1.9
121.10141	4.7
123.08047	1.8
123.11732	0.8
129.06978	7.4
129.64824	0.8
131.08569	7.7
133.06496	2.4
133.10136	3.8
136.15918	0.8
137.09639	1.1
142.07864	2.0
145.10109	1.3
147.08061	2.6
147.11700	8.4
149.09651	3.8
157.10107	8.7
163.11066	0.9
165.12779	2.2
175.11217	7.6
193.12242	19.6
197.41008	0.7
211.13251	2.3
215.16914	0.7
227.13431	0.8
249.14905	1.2
267.15891	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	267.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.2
55.05516	7.7
56.96567	3.9
57.03440	7.1
60.04530	8.8
65.03923	3.4
67.05499	19.8
69.03429	6.4
69.07072	9.9
71.04984	4.7
71.60490	4.5
72.08143	4.6
73.44152	2.7
79.05511	15.0
81.03419	39.8
81.07075	30.4
83.04986	8.4
83.08620	9.5
88.04012	36.5
89.04335	12.3
91.04915	3.7
91.05483	70.7
91.06033	5.5
92.05817	36.9
93.07054	14.1
95.04964	15.9
95.08596	14.6
97.06547	7.2
102.05549	61.8
103.05895	19.1
105.07031	27.9
107.04965	6.1
107.08614	8.1
109.06504	6.4
109.10197	6.2
109.83875	3.3
111.08097	3.7
115.05468	9.0
117.07014	5.3
119.08549	18.1
121.02869	4.4
121.06509	4.1
121.10189	7.4
123.08092	4.5
123.11746	4.1
128.06233	8.6
129.07019	24.2
131.04866	3.0
131.08589	22.5
133.03224	5.3
133.06473	5.3
133.10147	8.3
134.03534	5.4
141.07030	8.2
142.07809	4.8
144.05701	8.5
145.06491	8.6
145.10181	3.1
147.08049	5.6
147.11678	16.1
148.06088	23.9
149.06407	12.1
157.06540	9.6
157.10118	8.5
159.08073	28.2
161.06017	7.8
161.09641	7.8
165.12781	7.8
170.07317	6.3
171.08099	6.0
175.07594	6.7
175.11249	5.9
187.07611	19.1
189.05498	4.1
189.09201	7.5
193.12263	9.2
203.07123	3.3
203.20293	3.4
204.07872	10.7
207.08398	4.3
219.10123	15.2
221.10011	4.9
221.11861	3.9
231.10178	4.1
237.11264	5.4
249.11252	100.0
267.06607	4.2
267.15881	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1342
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
56.05038	20.0
56.96567	1.4
57.03434	2.5
57.07090	0.7
57.65771	0.7
58.06600	4.4
58.98555	0.7
67.05511	1.8
69.07079	0.7
69.46969	4.5
69.47387	1.2
69.56414	0.6
70.06602	1.2
74.06082	100.0
75.04477	1.8
79.05537	0.7
81.07066	1.8
84.04513	5.3
84.08116	1.0
85.02924	1.2
89.03969	0.7
91.05484	2.3
93.07040	1.0
93.92610	0.7
95.08613	1.5
97.06567	0.7
101.07153	1.7
103.05479	3.0
106.59258	0.7
107.04990	0.8
109.10184	1.0
111.09833	0.7
119.06091	1.7
120.04510	1.8
120.08109	60.8
122.05936	0.7
130.06546	0.8
131.04965	2.1
133.10109	0.8
134.99600	0.9
136.06181	0.8
146.06006	2.6
149.05974	1.7
150.05490	0.9
152.05797	0.9
158.09703	1.4
161.01227	1.1
161.06003	0.8
163.03952	1.8
166.08644	41.7
176.07126	2.9
176.10719	1.3
203.11925	1.4
206.11818	2.1
216.50674	0.8
221.12886	7.3
249.12292	5.2
267.03879	1.3
267.09808	2.8
267.13455	10.2
285.05020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
53.08813	0.3
55.05509	0.4
56.05026	0.5
56.96562	0.6
57.03431	0.6
57.07066	0.4
58.06260	0.3
60.08160	0.6
65.03927	0.5
67.05500	3.4
69.03408	0.5
69.07067	0.6
70.06586	1.0
71.24189	0.6
72.08138	0.5
74.06060	0.3
79.05484	0.6
81.03418	0.3
81.04517	0.4
81.07054	0.6
83.08576	0.3
84.04504	0.6
84.08138	0.9
85.02911	0.7
86.09686	0.7
88.03984	0.5
91.05470	0.7
92.04985	1.3
92.34769	0.3
93.05746	0.5
93.07048	0.6
94.06564	10.1
95.04955	0.6
95.08585	0.5
97.02882	0.5
98.97573	0.5
100.03971	1.3
101.02373	0.8
102.05532	0.9
105.07010	0.4
106.06554	3.1
109.10123	0.3
110.07166	0.4
116.98702	0.5
116.99517	0.3
117.07016	0.3
118.05006	1.1
120.04466	3.4
122.06035	7.9
122.07098	1.0
123.04417	0.3
132.08043	0.5
134.09637	0.3
134.99687	0.4
136.06206	0.4
138.05556	0.6
147.04434	0.4
150.05501	100.0
151.05843	0.6
162.05458	0.3
163.03911	0.6
163.08662	0.3
168.06555	4.5
177.05469	0.6
196.69531	0.3
208.06105	0.4
224.04611	0.3
267.09760	5.6
267.13022	0.5
267.13538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02656	1.5
57.03450	1.7
60.04531	12.5
61.51338	1.3
66.85158	1.4
70.02939	2.4
70.17808	6.3
74.35588	1.3
81.03416	3.0
83.08618	1.4
84.31244	1.4
88.03993	60.0
91.05486	85.3
99.68487	1.5
102.05543	100.0
104.48618	1.2
105.06997	1.4
130.04997	2.7
135.17413	1.5
144.36378	1.3
146.06009	2.0
148.06053	62.6
156.41978	1.3
196.09648	3.2
198.11363	1.8
206.08154	2.9
220.09764	6.5
252.20268	1.5
266.17447	3.4
266.21240	1.4
267.15854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38691	0.5
61.02932	1.4
63.30095	0.3
64.09830	0.4
66.68806	0.4
69.05421	0.4
70.86286	0.4
70.96117	0.8
70.96496	0.7
71.04991	1.6
71.26273	0.3
73.52021	0.4
81.07054	2.2
91.05461	0.6
94.04060	1.0
119.03561	1.8
127.81912	0.4
136.06189	100.0
137.04602	1.6
234.11111	0.8
234.13498	21.0
266.16138	52.4
267.16443	1.1
283.96979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28868	1.7
70.29115	7.2
85.02898	3.6
104.10740	6.4
119.76563	1.7
133.68448	1.9
186.04529	1.9
208.09782	2.1
266.05383	100.0
266.16068	9.1
266.71872	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2526
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03943	3.1
55.01870	1.9
55.05512	62.7
57.03437	2.7
57.07081	27.2
65.03929	2.2
67.05505	62.0
69.07070	84.3
71.04988	3.9
71.08634	12.1
71.60308	2.4
79.05496	33.8
81.03406	1.5
81.07059	74.2
83.04961	3.1
83.08620	60.4
85.05328	1.3
85.06543	5.7
85.10201	8.2
91.05473	5.8
93.07043	45.9
95.04968	4.1
95.08611	74.0
97.06533	23.1
97.10171	41.1
99.08087	3.9
105.07037	2.3
107.08599	26.9
109.06473	1.9
109.09471	2.4
109.10161	35.1
111.08077	15.2
111.11726	13.6
113.09642	2.2
113.89258	1.3
119.08566	1.7
121.10144	58.0
123.08077	1.7
123.11703	12.2
125.09596	4.2
125.13256	3.1
127.11166	1.6
133.10136	1.3
135.11694	46.1
137.13264	5.0
139.11205	2.6
143.14250	1.6
149.02428	1.3
149.13254	18.3
151.14862	9.5
155.14362	1.8
163.11197	1.2
163.14822	9.2
165.16393	6.2
177.16397	5.7
188.11765	1.2
191.17891	1.8
205.19595	1.8
247.24216	49.1
265.21976	3.6
265.25272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03940	5.5
55.01869	5.8
55.05499	9.4
57.46254	2.9
65.03933	6.6
66.67995	2.6
67.05508	21.4
69.03420	27.0
70.06593	4.3
70.15142	10.4
71.04982	6.5
72.08153	4.8
79.05486	15.1
81.07046	12.2
83.04975	5.4
83.43706	2.8
84.04491	9.1
85.06531	3.0
88.06267	3.0
91.05476	39.6
93.03398	7.2
93.07047	33.8
95.04971	32.2
95.08607	16.0
97.02888	5.0
97.06496	5.9
98.97578	3.1
99.04432	3.6
103.05467	10.8
105.07026	44.7
107.08592	12.8
109.06487	25.3
109.10137	5.3
111.04433	21.1
111.08066	4.2
113.06008	11.8
115.05443	4.2
116.06267	4.1
116.07111	3.9
116.40773	2.4
117.07016	14.5
118.06532	20.5
119.04957	6.3
119.08568	62.8
120.08104	100.0
120.08939	6.9
121.02864	9.3
121.06506	33.4
121.10126	6.8
122.07191	6.1
123.08057	22.1
128.06215	4.4
129.06989	11.3
130.07790	3.8
131.08563	26.9
133.06473	8.8
133.10101	14.5
135.08034	50.8
136.07541	20.1
137.09619	10.5
139.03914	9.4
139.07547	3.0
141.06979	6.6
142.07788	5.3
143.08568	13.4
144.05696	5.8
144.09309	11.1
145.06476	10.1
145.10100	21.0
146.07269	3.2
147.08025	27.7
147.11655	8.7
149.05998	5.8
149.09644	8.1
153.09048	6.2
155.08543	8.5
157.10117	16.8
158.07257	15.6
159.08043	30.1
159.11700	28.4
160.08815	3.6
161.09607	28.4
165.09126	24.9
168.09290	4.3
169.10152	4.6
171.07933	6.0
171.11671	7.1
172.08751	13.8
173.06023	3.2
173.09604	18.5
173.13199	18.5
175.07524	53.6
175.11116	24.6
177.09120	3.9
183.11699	11.2
185.09586	3.5
186.10420	5.7
187.07616	3.7
187.11147	30.4
189.09091	8.0
189.12733	9.7
193.08620	17.0
193.10133	3.7
196.08917	7.7
199.11198	11.5
201.12700	25.5
203.10638	34.1
207.10155	3.5
211.11183	18.7
217.12236	17.4
219.13693	6.2
229.12161	20.7
235.13303	5.5
247.13290	31.4
248.09067	3.5
265.11853	5.5
265.14380	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	8.8
55.01874	13.8
55.05507	26.2
56.05053	5.8
56.96551	21.2
57.01669	5.8
57.03442	10.5
57.07083	9.5
65.03941	11.3
67.05505	56.3
69.03420	57.4
69.07070	24.1
70.06588	21.8
71.04987	27.9
71.08652	6.9
71.59967	8.5
72.08141	15.9
79.05490	35.7
81.03425	13.5
81.07074	33.2
83.04974	21.2
84.04507	8.0
84.08152	21.0
85.02903	13.6
85.06576	9.5
85.46281	6.6
86.09707	12.6
89.79897	6.1
90.78500	5.9
91.05467	89.0
93.03398	7.3
93.07041	60.7
95.04977	61.0
95.08593	34.9
97.02895	12.8
97.06506	18.0
98.97572	14.6
103.05466	13.1
105.07045	79.8
107.04960	19.1
107.08591	37.6
109.02892	18.7
109.06544	49.6
109.10145	16.7
110.07168	8.2
111.04450	52.2
111.08107	11.9
111.13227	5.8
113.05996	12.5
113.73918	5.7
114.87894	7.8
115.05468	11.6
116.06222	6.9
116.98576	9.4
117.03400	7.9
117.07026	41.6
119.04967	10.3
119.08575	93.0
120.08106	10.3
121.02879	26.1
121.06524	53.4
121.10130	27.6
122.07166	65.5
123.04429	18.0
123.08052	28.8
124.07593	8.7
125.06012	12.2
128.06207	9.7
129.07016	28.0
130.07738	9.2
130.50517	6.3
131.04913	9.5
131.08569	60.1
132.45433	6.8
133.06500	21.6
133.10143	25.4
134.99652	10.1
135.04453	16.0
135.08052	100.0
136.06223	14.8
137.05997	23.0
137.09641	15.9
138.05499	7.2
139.03922	19.4
139.07524	7.2
141.06918	9.5
142.07742	12.4
143.08545	23.8
144.04762	14.9
144.09338	11.0
145.02853	25.0
145.06549	31.5
145.10110	47.6
147.04443	12.2
147.08047	51.2
147.11668	29.6
149.06000	14.6
149.09624	25.0
151.03964	7.9
153.07005	7.6
153.09151	28.6
157.10153	19.3
158.07277	11.9
158.10992	7.1
159.08034	49.2
159.11694	41.4
160.07613	7.9
160.08832	9.2
161.06012	13.3
161.09615	49.2
163.03935	51.5
163.07553	14.6
163.11119	7.8
165.09100	41.2
168.09366	8.3
171.08006	12.5
171.11697	8.5
172.08859	20.3
173.05954	13.1
173.09633	27.9
173.13261	19.5
175.03946	14.8
175.07539	61.6
175.11208	36.9
177.05510	17.9
177.09099	10.1
183.11708	13.9
187.07599	21.9
187.11133	45.3
189.09122	20.6
189.12778	19.8
191.07019	13.1
193.08606	21.9
196.08856	9.5
199.11237	13.2
201.12733	45.0
203.10635	44.5
205.08635	17.8
205.12221	16.4
207.06462	16.3
211.11229	12.6
217.12257	28.8
219.06517	15.2
219.13748	15.4
220.09763	14.9
222.06674	8.2
229.12270	23.1
233.05830	8.0
235.13371	7.8
237.02678	7.3
247.07498	7.2
247.13232	51.9
248.09235	23.1
248.12978	6.5
265.09067	15.9
265.11597	11.6
265.14438	65.1
265.18134	6.5
266.10156	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	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
52.14579	3.4
53.03954	3.3
55.01872	4.7
55.05501	17.3
57.07059	2.9
65.03933	10.2
67.05498	30.6
67.83514	3.4
69.03427	28.7
69.07053	4.8
70.74624	3.6
70.74952	7.2
71.04997	9.1
71.19888	3.5
79.05489	17.1
81.07044	20.7
83.04974	16.6
83.70292	3.4
83.96995	3.3
91.05480	50.4
93.03370	4.2
93.07041	49.5
95.04971	48.2
95.08614	21.2
97.02879	6.3
97.06497	10.2
99.04442	8.9
103.05479	4.0
105.06377	6.1
105.07027	70.2
107.04955	6.3
107.08604	23.5
109.02896	4.8
109.06513	32.6
109.10167	6.2
109.71349	3.8
111.04454	29.6
111.08067	11.1
113.05996	15.0
115.05444	6.2
116.06226	5.5
117.07010	19.4
119.08576	100.0
120.08086	8.9
121.02863	15.4
121.06517	54.3
121.10141	14.1
123.08054	30.4
125.05965	5.8
125.09702	4.4
128.06224	5.2
129.07039	21.4
130.07835	6.5
131.08542	37.0
133.06494	12.7
133.10089	16.7
135.04248	3.9
135.08046	89.8
137.05843	4.1
137.09622	18.0
139.03906	13.3
139.07518	7.2
141.06992	9.8
142.07796	10.9
143.08565	14.9
144.09392	10.6
145.06479	15.9
145.10101	34.3
146.06235	3.8
147.08041	44.3
147.11702	16.1
149.09639	17.3
153.07025	4.7
153.09077	8.8
154.07791	5.4
155.04646	3.8
155.08589	9.2
156.09294	11.8
157.06374	3.7
157.10130	26.1
158.07254	29.5
158.10899	8.2
159.08028	44.1
159.09218	4.3
159.11702	47.4
160.08792	8.8
161.06033	9.0
161.09613	46.1
161.13220	4.3
163.07541	5.5
165.09116	38.8
168.09375	7.8
169.10220	5.1
171.08104	9.1
171.11708	13.1
172.08801	30.5
173.09628	28.8
173.13255	23.3
175.07538	91.6
175.11153	43.3
183.11717	11.4
185.09688	10.4
186.10374	7.0
187.07480	5.4
187.11160	49.9
188.08469	4.3
189.09122	12.8
189.12741	12.4
193.08571	28.3
196.08813	4.9
199.11209	22.8
201.12704	38.6
203.10652	59.1
205.12305	11.9
207.10225	4.9
211.11188	22.0
217.12231	28.7
219.13783	13.5
221.11813	4.4
229.12199	35.5
235.13295	12.8
247.13243	52.8
265.14343	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1434
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.05500	9.6
57.03432	4.0
63.78261	2.6
65.03921	9.0
67.05495	20.7
69.03423	31.6
69.07057	6.8
70.06588	3.7
71.04977	8.0
71.58108	4.0
72.08150	3.4
79.05490	18.0
81.07060	18.2
83.04961	7.8
83.63109	2.5
84.04513	13.0
85.02891	5.5
85.06520	3.9
91.05476	54.6
93.03400	7.6
93.07049	31.8
95.04961	36.6
95.08601	16.9
97.02892	6.5
97.06518	7.1
99.04453	2.7
103.05468	9.1
105.07025	54.1
107.04964	3.6
107.08586	17.4
109.06518	27.4
109.10149	5.9
111.04446	21.3
111.08087	8.3
113.05975	17.4
115.05453	5.3
116.06262	4.1
117.06978	14.3
118.06531	20.3
118.27327	2.7
119.04920	6.6
119.08582	74.2
120.08105	100.0
121.02841	9.9
121.06490	33.3
121.10113	13.1
122.07140	4.5
123.04420	3.6
123.08067	22.3
125.06010	4.9
126.77579	2.6
128.06207	5.4
129.07016	12.9
130.07809	4.7
131.04915	5.0
131.08548	33.9
133.06534	6.1
133.10129	15.3
135.07103	5.6
135.08055	61.5
135.09877	2.6
136.07574	25.8
137.05954	3.5
137.09573	9.1
139.03889	11.5
139.07518	6.5
141.06955	9.2
142.07753	6.9
143.08536	14.5
144.09323	5.7
145.06500	14.8
145.10118	28.2
146.07207	3.6
147.08057	33.0
147.11676	10.6
149.09590	11.3
153.07011	3.4
153.09081	3.3
155.08543	6.4
156.09334	5.7
157.06474	3.6
157.10149	18.7
158.07217	14.3
159.08057	30.3
159.11678	36.7
160.08806	5.2
161.09604	38.0
161.13206	3.7
165.09108	32.7
168.09381	5.7
169.10194	4.4
171.08113	7.7
171.11687	9.5
172.08836	17.3
173.09654	14.5
173.13255	22.6
175.07549	54.5
175.11169	28.3
177.12677	3.7
183.11679	9.9
185.09546	6.2
186.10368	5.5
187.11203	33.2
189.09077	14.4
189.12714	10.4
193.08627	18.4
196.08852	7.3
199.11224	13.8
201.12747	33.9
203.10654	35.9
205.12236	8.8
211.11180	16.3
217.12137	16.9
219.13728	8.1
229.12248	19.2
235.13283	6.0
247.13239	36.4
265.14404	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	264.1597
Annotation	(-)-Pyridoxatin
Peak:m/z	Relative Intensity
67.05502	0.4
69.07060	0.3
69.33958	1.9
69.34386	1.5
73.70249	0.3
78.42165	0.3
79.05506	0.6
81.07047	0.6
85.02938	0.4
91.05473	0.9
105.07017	0.9
108.08092	0.6
117.05839	0.4
118.06532	2.9
119.08563	1.2
130.06564	0.9
131.07355	0.7
131.08498	0.5
132.08070	1.5
133.10146	0.5
144.08090	9.1
145.08887	0.4
146.09651	2.1
158.09654	3.6
159.10422	1.4
160.11172	0.9
172.07600	0.6
172.11171	2.3
173.12021	0.5
174.12767	0.6
176.07089	5.3
176.14346	4.2
188.07056	0.9
190.08652	1.8
191.09425	0.6
202.15919	30.7
203.16286	0.5
204.10173	1.8
206.08188	0.7
216.13849	26.1
217.08536	0.4
217.14284	0.3
218.15395	1.4
220.09653	1.4
221.10417	0.4
234.11145	0.8
234.14896	31.5
235.15292	0.4
244.73064	0.3
246.14926	4.1
264.15958	100.0
265.16449	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51250	3.4
55.01859	4.1
56.96559	14.3
67.05466	4.5
69.30195	31.6
69.30611	7.9
70.06569	3.4
70.78937	3.6
79.05492	3.7
81.03429	4.0
81.07028	5.2
85.02886	4.4
91.05470	9.4
93.07014	3.8
95.04954	4.7
98.97572	7.7
105.07024	7.4
107.04944	4.9
109.06493	4.1
115.05447	29.0
116.98634	5.7
117.07027	43.8
119.08575	4.2
120.08068	3.2
121.02875	5.9
121.10156	3.5
122.07150	5.8
128.06183	3.6
129.06990	8.7
130.04089	3.9
131.04909	6.1
131.08586	5.6
133.06487	3.9
134.99615	5.7
135.07967	3.7
137.06018	5.2
141.07072	4.8
145.06490	92.3
146.99686	4.2
147.04414	4.8
147.08061	5.7
155.06020	7.7
156.05676	19.7
157.06427	4.3
159.08029	8.1
161.05939	6.3
165.06938	3.9
167.07047	3.8
173.05986	100.0
175.07462	5.0
177.02240	3.7
187.07549	7.7
190.04611	5.4
190.06236	41.2
202.06311	6.0
203.07024	16.7
205.08585	75.5
217.08592	52.2
218.09416	3.9
223.06413	9.7
232.47165	3.8
235.09653	4.4
241.07587	4.5
247.09712	7.2
256.50586	3.6
265.10681	7.3
268.57162	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	265.1117
Annotation	Thiamine
Peak:m/z	Relative Intensity
52.30087	0.2
54.03454	0.7
55.01846	0.3
55.05505	0.8
56.05024	0.3
56.96567	2.1
57.03422	0.6
61.02912	0.7
64.18713	0.3
67.05505	0.5
69.03444	1.3
70.06591	1.2
70.54298	0.5
70.54671	0.6
71.04995	0.6
72.08148	0.3
73.02913	0.9
74.06075	0.6
79.05485	0.3
80.05007	0.9
81.03445	0.6
81.04538	15.0
81.07052	0.4
81.42597	0.2
84.08144	1.0
84.96014	0.3
85.02904	2.2
86.09699	0.8
87.04496	0.4
91.05473	0.4
93.07045	0.2
97.02874	1.1
98.97588	1.8
99.04484	0.4
109.02911	0.4
110.07174	0.3
113.02961	1.0
114.10308	0.4
116.98612	1.6
119.01872	0.3
122.07149	100.0
123.07477	0.4
126.03740	1.4
127.03939	0.6
128.02330	0.4
128.98592	0.6
131.00148	0.3
134.99660	0.9
136.06181	0.3
144.04779	29.2
144.98033	0.4
145.01649	0.3
145.05042	0.5
146.99620	0.6
147.03094	0.4
149.01259	0.4
152.05725	0.3
155.02873	0.5
155.04662	1.7
158.99660	0.6
161.01237	0.7
162.03622	0.2
163.02742	0.4
164.03482	0.4
164.05214	0.9
164.07079	0.4
165.00694	0.5
168.03580	0.3
170.05139	0.6
177.00732	1.0
177.04189	0.9
178.04924	0.9
179.02261	0.4
183.54268	0.3
184.04901	0.5
201.00760	0.3
206.07985	0.3
219.01628	0.4
219.05130	0.5
220.03928	0.3
223.01355	0.5
237.02834	0.7
256.07150	0.4
265.07941	0.7
265.11380	1.7
269.05316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.61567	0.8
53.03942	1.0
54.04352	0.8
55.05512	14.8
57.03432	1.9
57.07073	13.1
58.71863	0.8
65.03934	2.5
67.05504	82.5
69.07069	17.2
71.04990	1.7
71.08630	6.3
74.56606	0.9
79.05059	1.4
79.05494	21.2
81.07058	100.0
83.04998	2.0
83.08617	17.6
85.06544	4.4
85.10175	3.4
91.05478	17.5
93.07041	23.0
95.04964	2.9
95.08607	87.0
96.08934	1.0
97.06549	7.1
97.10179	6.0
99.08094	5.7
104.99272	1.3
105.07027	11.9
107.08590	14.1
109.06516	2.4
109.10155	46.0
110.09105	0.8
111.08049	5.1
111.11721	1.6
113.09623	2.3
119.08572	12.2
121.10148	17.4
123.08077	3.1
123.11712	18.5
124.59396	0.8
125.09645	1.0
133.10130	15.2
135.11694	10.8
137.09618	3.4
137.13223	7.4
141.12737	2.9
147.11690	10.8
149.13260	9.3
151.11200	1.6
151.14803	9.1
153.12711	1.5
155.14314	1.8
161.13274	11.2
163.14799	7.1
165.12762	0.9
165.16399	8.1
167.14345	1.7
175.14832	7.0
177.16371	2.5
179.17949	4.6
181.15822	1.3
189.16347	4.2
217.19415	1.3
219.21266	0.9
229.71556	1.3
245.20792	0.8
245.22639	33.4
263.23703	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	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03946	2.1
55.05512	15.5
56.96567	5.2
57.07081	12.2
65.03932	2.6
66.27898	1.0
67.05505	89.2
69.07065	19.0
71.05006	2.2
71.08624	7.8
71.30438	1.9
73.81442	1.2
79.05495	26.5
81.07059	100.0
83.04980	2.0
83.08619	15.5
85.06542	3.8
85.10174	3.3
91.05478	19.5
93.07042	27.6
95.04961	4.2
95.08608	90.3
97.06527	7.0
97.10162	7.8
99.08090	4.7
104.99273	13.8
105.07034	13.8
107.08596	16.3
109.06548	3.0
109.10157	50.3
109.10791	1.2
109.10911	2.2
111.08089	4.4
111.11694	1.4
113.09629	4.6
117.06965	1.3
119.08595	15.6
121.10144	19.8
123.08086	3.4
123.11709	18.9
125.09614	2.0
127.11160	1.5
133.10138	15.6
135.11691	10.8
137.09602	2.4
137.13248	8.4
139.11182	1.3
141.12833	1.2
143.08516	1.7
145.39293	1.2
147.11697	12.0
149.13263	9.0
151.14806	6.9
154.41830	1.1
155.14375	1.6
157.10139	1.4
161.13264	10.6
163.14803	7.8
165.16429	9.1
175.14835	7.0
177.16350	1.4
179.17926	4.1
181.15923	1.7
189.16425	3.5
193.15942	1.0
199.06410	5.3
217.07446	10.4
221.13249	1.3
233.13297	1.2
240.09181	1.8
241.10999	1.5
245.22655	33.1
259.12268	1.4
263.17859	3.9
263.23706	67.9
264.24146	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01887	0.9
55.05510	16.7
57.03429	2.3
57.07076	12.4
65.03938	2.3
65.55684	0.9
67.05503	84.5
69.07066	17.1
71.04975	1.4
71.08637	7.1
79.05061	1.7
79.05491	23.4
81.07055	100.0
83.04980	2.2
83.08216	1.3
83.08624	14.0
85.06555	4.5
85.10163	4.3
91.05479	18.4
93.07042	20.8
95.04955	3.9
95.08604	93.2
97.06528	7.9
97.10152	6.8
98.20690	2.1
99.08083	5.6
104.99261	1.2
105.07036	13.6
107.08591	12.2
109.06506	2.2
109.10157	44.5
110.65588	1.0
111.08063	6.2
111.11703	1.8
113.09644	3.4
119.08563	12.6
121.10147	17.6
123.08051	3.6
123.11703	19.9
125.09618	1.1
133.09229	1.7
133.10144	15.3
135.11696	8.9
137.09607	2.8
137.13222	7.6
141.12741	1.7
147.11679	10.2
149.13260	8.8
151.11165	2.1
151.14835	8.9
155.14320	1.8
161.13251	11.0
163.14806	9.1
165.12733	1.0
165.16389	9.5
171.47386	1.0
175.14777	6.7
177.16339	1.3
179.17915	3.7
181.15860	2.7
189.16435	4.5
190.98051	1.0
203.17949	1.8
217.19542	1.6
245.22649	36.5
263.14746	1.4
263.23694	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2006
Annotation	3-Acetoxy-E-gamma-Bisabolene
Peak:m/z	Relative Intensity
55.05515	19.5
56.96560	7.8
57.03436	4.4
57.07069	14.8
65.03902	3.0
67.05136	4.6
67.05504	92.5
69.07065	37.4
71.04996	4.1
71.08612	6.0
71.60097	3.5
75.68867	3.0
79.05489	39.3
81.07053	100.0
83.04996	8.3
83.08622	12.3
85.06541	6.9
86.50488	2.8
91.05484	28.3
93.07050	55.6
95.04437	3.3
95.04982	12.6
95.08607	84.6
97.06518	5.6
97.10173	6.1
99.08085	5.4
104.99277	64.6
105.07041	25.5
107.04942	4.8
107.08594	23.9
109.06516	11.6
109.10158	43.6
111.08107	5.3
113.09649	3.7
117.06996	5.8
119.08561	21.4
121.06480	4.7
121.10143	25.7
123.08078	5.0
123.11668	15.9
131.08582	10.3
133.06502	3.4
133.10126	23.3
135.11684	9.8
136.15877	3.5
137.09616	5.9
137.13289	5.8
145.10124	5.6
147.11697	17.0
149.13251	14.7
151.11194	7.7
151.14903	4.2
155.50090	3.3
159.11688	5.0
161.09659	4.2
161.13266	13.7
163.11191	4.8
163.14825	6.0
164.16478	3.2
165.09178	3.0
165.16356	5.0
171.11670	7.3
175.14796	6.4
179.18002	4.1
189.12817	5.0
189.16406	4.6
207.13817	9.2
243.87029	3.0
245.18973	15.0
245.22647	27.6
263.20111	72.7
263.23712	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
55.01856	4.4
55.05498	4.0
56.96552	2.2
57.60625	1.4
65.03950	2.2
66.80856	1.3
67.05503	6.7
69.03415	7.2
71.42251	3.1
79.05491	15.1
81.03420	1.6
81.07060	8.0
83.04975	16.7
85.02881	2.9
86.09697	3.8
91.05471	16.8
93.07042	15.2
95.04968	21.4
95.08595	3.4
97.02885	19.3
97.06510	3.3
97.47187	1.3
98.97572	4.4
103.05444	1.4
105.07030	20.1
107.04934	2.7
107.08590	18.7
109.02856	3.2
109.06509	14.9
111.04440	4.3
111.08087	24.5
113.06016	8.1
113.34187	1.3
115.05446	3.0
116.98611	4.3
117.06994	7.6
119.07780	2.7
119.08579	31.9
121.06493	8.6
123.04420	10.1
123.08098	3.3
125.06033	1.7
125.09624	2.3
126.38328	1.6
128.06161	4.1
129.07022	7.5
130.07755	3.4
131.08553	10.9
133.06496	7.5
133.10104	3.3
134.99666	3.8
135.08049	17.4
137.05968	4.7
141.06993	5.9
142.07758	11.6
143.08536	8.3
145.06493	5.0
145.10112	11.3
146.07243	1.9
147.08066	8.4
147.11693	3.2
149.06020	2.5
149.09602	5.2
151.07564	1.7
153.09122	16.5
154.02802	1.6
156.09354	18.2
157.06456	1.6
157.10107	14.4
158.07262	2.2
159.08025	15.0
159.11684	3.9
160.08813	1.8
161.01270	2.0
161.05940	3.5
161.09579	5.4
163.07533	2.0
165.06970	2.2
165.09058	2.2
171.08060	2.7
171.11627	10.6
173.09599	14.2
175.07542	2.5
175.11214	9.9
177.09119	1.7
178.56136	1.6
181.10072	4.3
184.08829	2.7
185.09631	5.1
187.07512	3.6
189.12726	3.1
191.02263	1.8
199.11143	25.0
201.09084	30.7
203.10689	5.0
207.33342	1.5
209.09546	3.0
209.80620	1.4
217.12181	8.2
219.10146	27.9
221.11732	3.1
223.31464	1.6
227.10687	4.5
245.04663	1.6
245.07916	1.5
245.11765	5.7
246.07416	1.6
263.12775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.128
Annotation	Farinosin
Peak:m/z	Relative Intensity
55.01857	5.7
55.05502	6.6
56.05023	6.6
56.20684	2.2
56.96554	7.5
57.97207	2.0
65.03910	2.4
67.05506	10.5
69.03410	10.5
70.06573	8.7
70.06916	2.1
71.05016	2.7
71.15645	4.6
72.08125	4.2
74.06081	2.4
79.05499	14.5
81.07056	10.7
83.04987	19.3
84.08132	3.7
85.02881	6.1
86.09701	16.0
91.05476	16.0
93.07038	16.4
95.04465	2.5
95.04977	28.9
95.08575	4.5
97.02897	19.2
97.06526	3.7
98.97545	4.7
102.05474	2.6
103.05472	2.0
105.07037	18.6
107.04960	2.9
107.08609	17.5
109.02837	5.4
109.06504	23.2
109.10149	3.3
111.04411	7.3
111.08069	24.6
113.05975	3.6
114.70579	2.2
115.05439	4.2
116.98589	5.2
117.06980	9.3
119.04945	2.5
119.08584	34.6
121.06499	8.5
123.04416	12.1
123.08039	4.3
125.09621	2.6
128.06215	5.6
129.06966	8.0
129.10204	2.1
130.07759	4.7
131.08540	13.5
133.06456	8.5
133.10086	6.6
134.99583	3.4
135.08034	15.8
137.05948	7.6
141.06935	6.1
142.07729	8.8
143.08522	9.6
145.06438	6.5
145.10118	12.1
147.04373	4.9
147.08109	10.6
147.11641	8.1
149.09607	4.3
150.05782	3.5
151.07478	2.1
153.09134	18.4
155.08490	4.4
156.09383	20.0
157.10127	16.0
158.07256	4.1
159.08055	13.0
160.08847	4.1
161.05916	4.6
161.09581	3.2
163.03859	3.9
163.07608	3.6
166.07808	3.4
171.11713	15.1
173.09619	18.1
175.07562	2.6
175.11165	12.1
181.10107	3.9
183.08064	2.3
184.08786	2.8
185.06003	3.4
185.09528	5.5
189.12730	3.7
199.11211	28.4
201.09119	32.4
203.10612	15.3
205.08260	1.9
217.08496	2.7
217.12141	10.6
219.10141	29.2
221.11557	3.2
227.10667	4.5
245.09343	2.8
245.11717	6.6
263.12723	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	100.0
70.40726	98.9
74.02449	24.3
74.06084	66.6
84.04491	48.7
98.53745	26.7
138.37881	27.9
140.88156	25.0
148.38138	27.7
211.45110	28.8
249.63538	27.1
263.01654	91.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
55.05515	1.1
56.48803	0.6
56.96553	3.1
57.23773	0.6
62.98256	0.6
67.05486	1.9
69.07060	2.5
70.58453	1.3
70.58826	1.5
75.70940	0.7
79.05482	2.7
81.07072	3.6
83.04956	1.1
91.05468	2.6
93.07054	3.8
95.08597	1.8
98.20892	1.0
104.99270	9.7
105.07058	1.6
107.08572	1.8
109.06538	1.2
109.10163	1.1
119.08578	2.1
121.10164	1.3
123.08086	1.0
129.85025	0.8
133.10077	0.8
145.10068	1.1
147.11685	1.3
167.08691	0.8
245.18980	1.0
248.31979	0.7
258.97134	0.8
263.12543	100.0
263.20148	2.6
264.12866	1.0
281.10605	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20740	7.4
69.42950	64.5
84.30963	7.6
88.31965	6.5
94.06552	8.8
101.00899	10.6
111.18134	6.9
112.95834	8.0
113.00784	8.2
119.01926	47.6
126.40059	6.4
131.01880	13.3
143.01929	21.5
155.01907	14.6
161.02972	74.2
170.85686	7.1
173.03011	18.4
181.90532	7.2
191.03978	12.8
196.04558	7.4
200.73955	8.0
236.23785	6.7
263.01703	100.0
263.08844	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	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.7
53.03941	2.6
54.50287	0.7
55.01859	0.8
55.05516	13.1
57.03440	1.3
57.07068	3.3
65.03938	2.0
67.05504	41.1
69.07069	13.4
71.04980	2.5
71.08635	1.5
79.05492	55.5
81.07056	45.1
83.08611	7.6
85.06538	4.6
90.98452	0.7
91.05477	32.2
92.56277	0.8
93.07045	76.1
95.04949	6.8
95.08605	38.2
97.06525	3.3
97.10157	3.1
98.21516	1.6
99.08076	3.4
104.68256	0.8
105.04498	1.0
105.07034	20.5
107.08594	48.1
109.06503	2.7
109.10155	16.0
109.43322	0.7
111.08096	4.1
113.09638	2.3
113.28026	0.7
117.07037	6.4
119.07745	0.5
119.08578	15.8
121.10144	41.6
123.08083	1.9
123.11694	4.2
128.53491	0.8
129.07004	1.1
131.08569	13.1
133.10138	12.3
135.08028	0.9
135.11693	34.1
137.09540	1.6
137.13300	1.5
145.10126	15.2
147.11691	11.1
149.13260	26.7
151.11171	1.5
151.14796	1.3
153.12743	0.9
159.11731	10.4
161.13260	11.0
162.21507	0.7
163.11203	1.0
163.14828	16.9
165.12770	1.0
173.13255	11.7
175.14813	5.3
177.16391	5.8
179.14330	1.7
184.09511	0.8
187.14799	6.6
189.16310	1.2
201.16406	2.5
204.62695	0.9
205.15942	0.9
212.17651	0.9
215.17949	1.7
219.17397	1.5
229.21936	1.0
233.22565	1.2
243.21078	31.3
261.22137	100.0
262.14670	1.1
279.19376	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1186
Annotation	Glycyltryptophan
Peak:m/z	Relative Intensity
53.03936	1.3
55.05531	1.8
56.96561	4.5
67.05527	1.2
69.03423	1.4
69.07067	1.8
70.06583	1.9
70.84678	2.4
70.85018	2.2
71.05003	1.6
72.08167	1.3
73.55994	1.2
74.02429	2.5
79.05516	1.3
80.10208	1.1
84.04544	1.2
84.08187	1.5
84.58304	1.4
85.02910	3.3
86.09704	2.5
93.07025	2.2
95.04997	1.7
97.02884	1.6
98.97591	3.1
99.04408	1.2
106.06590	1.6
107.08556	1.3
108.40178	1.2
111.08182	1.5
115.05437	1.6
116.98621	2.8
117.05772	5.6
118.06539	1.6
120.08108	3.1
129.07013	4.3
130.05045	2.5
130.06535	55.8
130.07509	3.1
131.07278	4.5
132.04491	2.8
132.06798	1.7
132.08098	5.0
133.05206	1.3
133.07623	5.6
134.06062	1.7
134.09685	1.7
134.99649	1.3
138.01201	1.1
142.06531	2.5
143.07283	6.8
144.08096	12.3
145.06508	2.0
145.07626	5.3
146.06026	16.5
147.04422	1.8
147.09190	3.8
148.07552	2.9
154.06509	7.5
155.06087	1.8
156.06863	1.7
156.08072	14.8
157.07617	95.7
158.06006	9.1
158.08379	10.1
159.06750	2.1
159.09142	7.7
160.07608	5.4
161.01286	1.5
161.07133	4.6
162.05478	3.8
163.04041	1.7
169.07607	3.9
170.06027	1.9
171.09212	17.2
172.07588	5.1
173.07103	12.7
174.05496	1.7
175.08655	8.8
181.07671	6.9
182.06049	6.1
182.08389	1.9
183.09216	6.4
184.07590	2.2
185.07115	36.6
187.08672	2.2
188.09451	3.0
189.10292	11.5
198.10242	12.5
199.08705	18.0
200.07153	5.4
200.09190	1.6
201.10358	6.1
202.05099	1.8
203.08163	100.0
204.06575	2.5
204.08624	1.8
209.07100	5.6
216.11340	22.7
217.09645	5.9
218.08125	1.2
219.07748	1.6
221.09613	1.2
227.08171	33.5
228.06502	1.6
244.10751	7.2
245.09235	33.6
246.07761	2.0
262.11914	37.8
262.14471	3.2
263.12732	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62773	0.8
51.02379	0.9
53.03929	3.4
55.05512	14.9
57.03436	1.5
57.07066	3.9
63.01237	0.9
65.03940	2.1
67.05503	44.4
69.06721	1.3
69.07066	17.0
71.04982	2.0
71.08617	1.5
71.12675	1.3
71.13030	1.6
79.05492	64.2
81.07056	51.6
83.04980	1.3
83.08617	7.6
85.06541	4.0
91.05480	31.7
93.07043	87.0
95.04964	8.3
95.08604	39.7
95.09097	0.9
97.06517	3.2
97.10144	3.1
99.08067	2.9
105.07021	21.8
107.08593	56.4
109.06514	2.1
109.10146	16.7
111.08083	3.3
113.09658	1.6
117.07024	6.9
119.08571	16.4
120.08553	1.1
121.10141	51.9
123.08062	2.4
123.11719	5.6
125.09607	1.8
129.06989	1.0
131.08557	15.4
133.10123	14.5
135.08002	1.2
135.11685	36.5
137.09689	1.1
137.13165	1.3
145.10123	14.6
147.11678	11.7
149.09637	1.6
149.13252	28.3
151.11188	1.5
151.14742	1.3
154.59113	0.8
159.11702	11.9
161.13245	13.6
163.14819	20.3
173.13237	11.5
175.14810	4.7
177.16386	5.9
179.14304	2.0
187.14838	7.2
188.34833	0.8
201.16382	3.8
215.17987	1.9
233.22513	1.4
243.21094	34.8
261.22134	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.01542	0.7
53.03932	2.9
55.01865	0.9
55.05268	1.0
55.05512	14.0
57.03422	1.6
57.07070	3.5
65.03922	1.7
67.05505	49.6
69.06731	1.0
69.07071	14.6
70.03411	2.3
70.03825	1.3
71.04979	2.5
71.08622	1.2
77.03906	0.6
79.05495	64.3
81.07059	60.2
83.04962	1.5
83.08615	8.3
85.06548	4.0
91.05481	33.3
93.07044	79.4
95.04976	6.5
95.08607	39.4
97.06531	3.8
97.10176	3.0
99.08089	3.8
103.05477	0.6
105.04509	1.2
105.07034	24.1
107.04940	0.7
107.08595	51.1
109.06495	2.5
109.09460	1.2
109.10161	18.0
111.08085	3.5
111.11730	1.0
113.09629	1.7
117.07019	7.5
119.08584	18.2
121.10146	48.7
123.08069	2.2
123.11694	5.0
125.09640	1.2
129.06985	0.6
131.08571	16.5
133.10135	14.6
135.11691	35.9
137.09604	2.7
137.13326	1.4
139.11143	0.9
145.10121	15.6
147.11705	14.6
149.09625	1.0
149.13258	29.8
151.11189	1.6
153.12663	0.9
159.10445	1.1
159.11699	14.1
161.13268	13.6
163.14828	23.1
165.12737	1.6
173.13275	13.2
175.14842	6.2
177.12804	0.9
177.16385	6.5
179.14352	1.8
187.14816	8.7
189.16412	1.3
191.14412	1.1
201.16397	3.6
203.17836	0.7
215.17961	2.4
217.19461	0.9
219.17415	1.2
233.22612	1.5
243.21089	37.7
261.03735	0.8
261.22144	100.0
262.22522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.59903	0.3
51.02370	0.6
53.03929	2.1
55.01865	1.1
55.05511	15.5
57.03432	1.6
57.07071	4.0
61.02324	0.4
65.03936	1.5
67.05503	44.8
69.07069	13.9
71.04993	2.3
71.08623	1.5
77.03928	1.0
77.06741	0.4
79.05492	64.2
81.03429	0.5
81.07055	52.3
83.04987	0.9
83.08615	7.4
85.06542	3.8
85.10197	0.4
91.04631	0.6
91.05476	30.6
93.07041	83.0
95.04958	6.4
95.08606	39.0
95.09233	0.9
97.06528	3.3
97.10165	3.0
99.08096	4.6
103.05463	0.5
105.04500	1.3
105.07030	20.5
107.04954	0.6
107.08592	50.5
108.08981	0.4
109.06519	2.3
109.10154	17.9
111.08074	3.1
111.11708	0.9
113.09609	0.9
115.05507	0.4
115.14619	0.3
117.07012	7.2
119.06077	0.6
119.08582	17.1
121.10141	47.5
123.05989	0.4
123.08074	1.8
123.11711	4.3
123.14287	0.4
125.09605	1.5
129.07007	0.8
130.07863	0.7
131.08568	15.8
133.10127	13.1
135.11690	36.4
137.09596	2.2
137.13269	1.6
139.11174	1.4
143.08536	0.5
145.10115	15.6
147.11682	12.8
149.09636	0.7
149.13255	31.0
151.11159	1.2
151.14833	0.8
153.12746	0.9
159.10472	0.4
159.11687	10.8
161.13249	13.9
163.11186	0.5
163.14825	22.6
165.12788	1.2
173.13260	10.8
175.14821	5.5
177.12773	0.4
177.14981	0.6
177.16402	6.3
179.14346	1.9
187.14815	8.7
189.16400	1.0
191.14322	0.7
191.17958	0.5
201.16412	3.0
203.17938	0.8
205.15852	0.8
215.17848	2.0
217.19501	0.9
219.17398	0.9
233.22595	1.3
243.21086	34.4
248.75835	0.4
253.02690	0.4
257.78516	0.4
261.22131	100.0
262.22464	1.6
269.12311	0.4
275.45337	0.4
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
53.03942	2.8
53.41480	0.5
55.01856	1.0
55.05509	14.4
56.96579	0.5
57.03427	1.6
57.07079	3.6
65.03945	2.2
67.05503	44.2
69.07064	13.3
69.93280	2.9
71.04984	2.3
71.08627	1.6
77.03902	0.6
79.05490	61.8
81.03400	0.6
81.07054	52.0
83.04975	1.0
83.08622	7.4
84.64331	0.5
85.06543	3.0
85.10205	0.7
91.05476	30.5
93.07041	84.5
94.86759	0.5
95.04964	6.0
95.08603	39.6
97.06519	3.3
97.10165	3.4
99.08085	3.6
105.04517	1.5
105.07028	20.6
107.04919	0.8
107.08591	50.3
109.06511	2.9
109.10155	16.1
111.08081	3.7
111.11707	0.6
113.09654	1.3
117.07011	7.1
119.06072	0.5
119.08585	16.3
121.10138	44.4
123.08070	1.7
123.11699	5.9
125.09628	1.2
130.07794	0.8
131.08562	16.2
133.10124	13.7
135.11685	36.5
137.09608	1.6
137.13231	1.3
139.11211	0.7
145.10120	15.8
145.11839	0.6
147.11690	12.3
149.09666	0.6
149.13254	29.1
151.11230	1.0
151.14847	1.3
153.12816	0.7
159.11691	10.8
161.13254	11.8
163.11151	0.7
163.14822	20.5
165.12785	1.5
167.14267	0.7
173.13258	10.8
173.14667	0.7
175.14821	4.4
177.16386	4.9
179.14336	1.4
187.14787	7.6
189.16432	0.7
199.14783	0.5
201.16299	2.4
205.15817	0.9
215.18053	1.4
217.19589	0.5
217.97157	0.5
219.17448	1.8
233.22653	1.6
243.21074	32.5
261.22131	100.0
262.22406	1.2
275.18536	0.5
277.98712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02386	0.5
53.03942	2.4
55.01876	1.1
55.05511	13.5
57.03433	1.6
57.07074	5.1
60.86354	0.5
65.03934	1.8
67.05505	46.4
67.23527	0.4
69.07068	13.6
70.45201	0.8
70.45576	0.8
71.04991	1.9
71.08628	1.4
77.03923	0.7
79.05493	61.6
80.05818	0.7
81.03427	0.6
81.07058	51.9
83.04989	1.7
83.08621	7.0
85.06537	4.8
91.04897	1.0
91.05480	31.8
93.07043	77.0
94.79028	0.5
95.04981	7.0
95.08604	36.2
97.06525	4.1
97.10172	3.5
99.08100	3.7
105.04537	1.1
105.07031	21.7
107.08594	50.5
109.06532	2.7
109.10157	14.7
109.10915	0.7
111.08096	3.2
111.11739	0.6
113.09624	1.3
117.06196	0.9
117.07005	8.1
119.08578	17.9
121.10144	44.2
123.08063	1.6
123.11718	5.5
125.09634	1.0
127.11183	0.7
130.07790	0.6
131.08565	15.3
133.10129	14.8
135.11691	37.7
137.09641	1.8
137.13258	1.4
139.11105	0.6
145.09224	0.3
145.10118	14.6
147.11681	13.7
149.09589	1.3
149.13257	30.0
149.92041	0.5
151.11194	1.2
151.14790	1.2
153.12720	1.1
157.10138	0.8
159.11681	10.1
161.13254	11.5
163.11211	0.8
163.14819	18.9
165.12770	1.7
171.11691	0.6
173.13269	10.4
175.14818	5.5
177.12761	0.7
177.16393	4.3
179.14314	1.7
187.14818	7.4
189.16357	1.0
191.14355	0.6
201.16359	3.1
203.17972	0.5
205.15891	1.2
215.17986	1.7
217.19504	0.8
219.17554	1.2
222.79630	0.5
233.22643	1.1
237.02367	0.5
243.21085	31.3
244.21486	0.4
261.22137	100.0
262.22440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87378	0.6
55.01859	1.4
56.05025	1.2
56.96552	2.8
58.99588	6.9
61.02909	0.7
65.03935	0.9
67.05504	7.3
69.03420	2.2
69.07070	19.6
70.06577	2.1
70.21622	1.8
70.21977	1.3
71.04985	1.0
72.08145	2.0
76.02210	2.0
78.36748	0.8
79.05476	0.9
79.47411	0.6
81.03419	0.8
83.06099	2.2
84.04507	8.0
84.08150	3.6
85.02875	2.0
85.04817	1.9
86.09710	7.6
87.10018	1.4
88.03978	1.9
91.05463	1.4
93.07049	1.2
95.04951	1.5
95.08538	0.7
97.02862	0.9
97.06508	1.0
98.06030	2.3
98.97604	1.4
99.02666	3.0
99.04374	0.7
99.05585	1.2
101.04244	32.6
102.05507	1.1
103.05460	1.0
107.04952	1.2
110.06026	1.3
112.07572	1.6
114.05473	0.9
115.05424	1.0
116.98627	1.9
118.08655	0.8
119.04916	1.2
121.02771	0.7
123.04423	2.2
125.07095	0.8
127.02139	5.6
127.03938	1.1
127.05767	2.5
128.98618	1.0
129.03732	3.9
130.06505	1.4
130.08633	1.0
132.10210	2.5
133.06462	0.7
134.99681	1.9
137.05959	0.9
140.07077	4.1
144.04764	0.9
144.06596	1.1
145.06442	1.8
146.99673	1.5
147.04381	0.8
151.03888	0.9
155.01591	1.3
158.06020	2.1
160.08736	1.0
169.06427	0.7
170.06329	1.5
172.04274	100.0
173.05974	2.1
177.05498	1.0
180.04793	1.4
187.07434	1.2
189.05630	0.8
197.05867	1.6
197.07436	2.7
197.12813	2.8
198.05896	3.1
198.13181	1.2
201.05437	1.4
215.08577	6.8
237.02744	1.0
243.06558	1.5
243.13268	1.5
243.15460	1.4
244.06444	7.3
261.03690	1.7
261.09048	6.8
261.12384	2.9
261.14880	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	2.5
56.96567	8.5
57.03432	1.8
69.03415	3.3
70.06588	6.6
71.58347	2.3
73.02936	1.9
77.40313	1.7
84.04501	4.8
84.08139	21.9
85.02891	2.7
85.08486	4.7
86.09714	5.2
98.97611	6.7
100.07613	1.8
100.54852	1.9
113.03495	2.7
119.01865	2.0
122.06047	2.0
124.07623	1.9
128.98654	2.5
130.05014	4.7
130.08636	2.9
147.07622	3.9
155.02049	1.6
171.02698	2.7
187.00319	2.3
194.44362	1.6
195.41478	1.8
201.03671	2.5
229.03198	32.8
237.02768	2.6
243.04834	3.4
261.05847	100.0
261.09457	37.2
261.17923	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0583
Annotation	Suprofen
Peak:m/z	Relative Intensity
50.96805	0.7
51.32262	0.7
55.01859	0.9
56.05025	1.4
56.96564	4.4
67.05494	1.1
69.03426	1.3
69.07044	1.4
69.53719	3.3
69.54138	2.2
70.06598	3.8
71.04970	0.8
72.08150	3.1
76.21394	0.6
81.03418	1.7
81.04553	1.2
82.06587	0.9
84.04521	3.3
84.08146	7.2
84.96033	0.9
85.02892	2.4
85.08472	1.8
86.09705	18.3
95.30682	0.6
96.04499	1.1
96.79869	0.6
97.02812	0.8
97.06532	0.9
98.06044	1.2
98.21504	1.2
98.97604	4.8
99.05582	1.6
101.04217	1.1
102.05544	1.2
104.10735	0.7
105.00110	0.7
107.04966	0.8
109.02884	0.8
110.69518	0.7
110.97523	1.0
111.44990	0.7
112.07590	0.8
114.06640	1.2
116.98621	2.8
119.01901	0.8
124.07590	1.1
126.09216	0.8
127.03912	1.5
128.98581	1.3
129.10260	1.3
130.05025	3.5
130.06523	2.3
130.08611	1.4
134.99638	2.0
143.05711	0.9
146.05998	0.7
146.99670	1.9
147.07677	1.5
148.06088	2.1
151.03867	1.7
154.08578	1.1
158.06021	2.8
158.99658	1.9
160.07179	3.0
161.01311	0.7
169.01103	1.9
170.99651	1.0
171.02661	2.1
172.04279	1.9
177.00632	1.3
189.00729	1.8
189.97375	0.7
197.07500	1.0
201.00684	2.4
201.03734	4.1
218.42113	0.7
219.01678	2.1
226.12021	1.1
229.03218	26.6
237.02795	2.1
243.04747	4.6
243.07045	0.7
243.08173	0.9
261.05829	100.0
261.09387	9.7
261.11923	3.4
261.14658	2.3
261.20090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.9
56.96560	5.0
57.03424	3.3
57.07056	3.9
57.37269	1.8
67.05509	22.4
69.07069	9.6
69.92314	3.8
69.92735	5.1
79.05496	19.3
81.03431	3.3
81.07051	28.0
83.04990	2.0
83.08617	2.6
85.06548	3.2
88.51142	1.8
91.05479	40.2
93.07044	18.6
95.04993	2.2
95.08614	13.4
97.06529	6.9
97.10188	1.7
99.08076	2.8
105.07024	52.8
107.08609	11.1
108.93150	1.9
109.10125	5.3
114.43938	1.7
116.98602	2.3
117.07025	10.7
119.08572	42.3
121.10143	9.8
129.07022	9.1
131.08560	13.9
133.10138	36.3
135.11671	5.1
136.27560	1.7
142.03201	2.3
143.08556	10.6
145.10124	18.1
147.11700	27.7
149.13260	4.9
157.10147	10.3
159.11720	15.3
161.09523	2.3
161.13254	17.2
163.03857	4.0
171.11639	9.6
173.13303	9.1
175.14841	7.2
177.12750	2.4
185.13246	9.9
187.14764	2.4
190.95255	3.2
199.14828	5.3
201.16351	2.8
213.16292	2.2
215.06993	3.0
231.21117	3.3
241.19489	17.0
248.63623	1.8
259.17511	3.7
259.20569	100.0
271.14893	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87464	0.6
51.43956	0.7
52.69083	0.5
55.01859	2.3
60.04527	3.8
60.05629	1.9
62.30612	0.5
67.05493	0.6
69.04176	0.7
69.04554	11.8
69.07043	1.2
69.61685	4.5
70.06253	0.8
70.06593	7.9
71.04998	18.0
72.08134	1.0
73.02570	0.8
73.02920	11.1
79.05468	0.7
81.07049	1.9
84.05617	0.8
84.08117	1.6
84.47093	0.5
84.67968	0.5
86.06066	2.2
88.03979	1.0
88.07612	2.2
91.05453	0.6
96.05618	36.2
96.08100	0.7
97.02872	0.6
97.06478	0.6
97.42564	0.5
98.07191	1.1
98.09679	1.4
98.20702	0.7
99.07972	3.5
109.89176	0.6
110.07146	3.5
112.05089	1.6
113.09646	7.0
119.08640	0.5
126.10285	0.8
128.08205	12.7
138.10278	1.7
140.11850	2.9
142.08661	16.7
142.09747	2.3
156.11328	15.4
160.09702	21.0
170.12888	0.9
202.08948	1.6
216.07353	1.4
228.13445	100.0
260.10062	2.4
260.16071	99.8
261.04074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2056
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03927	1.0
54.05182	0.6
55.01860	1.1
55.05266	0.7
55.05513	10.1
57.03421	1.4
57.07069	1.8
65.03931	1.4
67.05506	21.6
69.07068	8.9
71.04962	1.7
79.05493	17.9
81.07057	22.5
83.04961	1.5
83.08607	4.1
85.06544	1.4
87.29815	0.6
91.05481	38.8
93.07043	19.2
95.04959	2.9
95.08608	16.8
97.06520	2.3
97.10142	1.1
98.98405	0.6
99.08099	2.0
103.05451	1.7
105.07031	59.1
107.04939	1.4
107.08600	11.0
109.06528	0.9
109.10146	4.9
111.08058	1.6
115.05438	0.7
116.06224	0.9
117.07014	13.6
118.07846	0.6
119.08582	46.0
120.15440	0.6
121.06483	0.9
121.10146	7.4
123.08075	1.8
123.11730	1.6
125.09624	0.9
128.06218	1.9
129.07008	7.7
130.07742	1.0
131.08565	17.0
132.09280	0.7
133.06508	0.9
133.10130	38.8
135.08044	1.3
135.11723	5.0
137.09618	1.1
142.07767	1.5
143.08551	10.7
144.09283	1.3
145.10121	17.8
147.07976	1.7
147.11687	29.9
149.09586	1.1
149.13271	4.3
156.09258	0.8
157.10147	7.8
159.11685	16.0
161.09639	1.2
161.13260	17.7
163.11171	1.6
171.11676	9.4
173.13254	8.7
175.11310	1.1
175.14821	9.3
177.12741	1.4
185.13261	9.5
187.14841	2.7
189.12732	1.9
190.95314	0.9
199.14824	6.4
201.16353	1.8
203.14397	0.9
213.16408	1.6
215.17946	1.8
217.15938	1.2
231.21053	2.6
241.19516	20.9
241.21997	1.0
259.20575	100.0
260.20905	2.2
277.11499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.97426	1.4
52.82880	1.1
53.03946	3.5
55.05307	1.3
55.05513	14.8
55.90519	1.2
57.03432	1.4
57.07061	5.6
62.71521	1.2
65.03935	1.7
67.05505	23.8
69.07074	10.8
69.31541	14.4
78.54935	1.5
79.05492	19.8
81.07061	19.9
83.04964	1.4
83.08611	6.1
85.06538	2.5
91.05481	46.9
93.07037	20.8
95.04950	3.8
95.08589	14.2
97.06520	4.0
97.10164	1.3
99.08054	1.4
103.05475	2.9
105.03397	4.4
105.07031	86.0
107.08605	11.9
109.06517	2.0
109.10160	7.1
111.08068	2.7
115.05452	3.2
117.07016	41.7
119.08585	50.0
121.06499	2.4
121.10135	7.8
123.11693	1.7
128.06221	5.4
129.06999	14.9
130.07756	3.4
131.08571	45.2
133.10138	40.6
135.11700	6.1
142.07791	3.3
143.08560	24.1
145.10126	39.2
147.11688	35.4
149.09575	1.4
149.13240	2.8
151.11139	1.5
156.09329	2.9
157.10123	15.2
159.11694	48.4
161.09595	1.7
161.13240	27.4
163.11299	1.6
171.11710	22.7
173.13269	36.3
175.11185	2.1
175.14833	8.6
181.06435	1.5
185.13243	25.5
185.66595	1.2
187.14819	3.6
199.14813	17.7
202.96767	1.4
203.14363	2.0
213.16411	3.3
215.17967	3.2
231.20998	2.2
239.28362	1.4
241.15807	1.6
241.19516	37.5
245.07043	1.6
259.20572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.04324	1.9
51.10145	2.1
55.05501	8.5
67.05498	9.2
69.07065	28.8
69.52056	16.7
69.59924	2.0
71.04996	18.4
79.05490	5.2
81.07066	14.0
83.04970	5.2
83.08610	8.4
85.06544	20.9
91.05483	8.1
93.07030	14.6
93.96145	2.1
95.04951	3.7
95.08603	18.9
97.06515	3.1
105.03449	3.5
105.07031	20.1
107.08574	14.0
109.06511	5.0
109.10142	14.9
111.08064	9.5
117.07043	5.2
119.08582	47.1
121.10134	10.1
123.08060	4.1
123.11698	23.7
128.06236	1.9
129.06993	3.9
130.07785	2.8
131.08589	13.5
133.10114	31.2
135.08095	10.3
135.11737	5.1
137.09615	3.0
139.11208	2.2
143.08582	8.1
145.10114	28.8
147.08110	2.1
147.11670	17.1
149.09567	2.2
157.10106	11.0
159.11682	20.4
160.12517	5.2
161.13260	30.1
171.11690	18.5
173.13278	6.0
175.11253	3.3
175.14828	79.2
176.15471	2.6
177.12794	4.4
185.13266	16.2
189.12778	3.6
189.16393	4.7
199.14757	4.7
201.16400	20.7
203.14360	7.3
215.17902	5.2
217.19315	3.1
239.68025	2.0
241.19501	17.4
259.20587	100.0
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	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.36075	1.8
52.06819	2.1
53.03923	2.4
55.05507	16.6
57.03434	24.4
57.07056	6.4
58.09636	2.1
67.05499	26.3
69.07064	14.1
70.67033	6.8
71.04974	3.1
73.98565	2.3
79.05495	23.2
81.07057	26.5
82.80705	2.1
83.08617	10.5
85.06534	4.4
91.05479	56.7
93.07046	26.2
95.08602	26.0
97.06516	4.0
99.08073	4.4
103.05377	2.2
105.07028	85.4
107.08591	11.5
109.06492	3.0
109.10126	6.1
115.05388	4.3
115.10879	2.0
116.06184	2.1
117.07009	62.2
119.07795	3.7
119.08579	55.5
121.10148	14.3
122.67113	1.9
128.06207	8.8
129.07002	29.0
131.08560	72.3
131.49211	1.9
133.10123	62.4
135.08084	2.5
135.11710	6.4
137.09599	3.2
142.07745	4.2
143.08551	28.0
145.10114	58.3
147.11690	48.8
149.09666	4.0
149.13261	3.8
157.10117	23.8
159.11687	93.5
161.09645	2.8
161.13231	18.1
163.11148	5.5
171.11697	36.1
173.13257	58.0
175.11217	2.8
175.14847	7.1
185.13260	37.2
187.14824	63.0
199.14815	22.1
201.16362	4.9
203.17990	2.3
213.16383	5.7
231.21411	2.3
241.19490	45.5
259.20554	100.0
259.24591	4.1
260.20920	3.5
281.27872	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.9
57.07072	6.5
59.04996	3.7
64.26843	4.1
67.05499	12.8
68.27882	3.8
69.07079	35.1
71.04992	18.5
71.60740	4.9
71.61213	5.7
74.89131	5.0
79.05486	12.7
79.14658	3.8
80.15022	3.9
81.07068	21.0
83.01675	3.7
83.08612	12.6
83.57178	4.1
85.06544	18.6
91.05476	20.3
93.07049	15.9
95.04967	9.6
95.08606	20.8
97.06503	5.4
97.10165	5.9
105.03409	14.6
105.07037	28.7
107.08603	20.8
109.06542	6.7
109.10165	13.3
111.08105	8.7
117.07027	12.3
119.08597	55.8
121.10135	13.4
123.11691	25.5
125.09657	5.4
129.01840	4.3
129.07016	5.3
131.08609	22.3
133.10167	33.8
135.08057	12.4
135.11751	5.7
137.09633	7.6
142.07841	4.9
143.08566	11.1
144.09264	4.8
145.10138	38.4
147.11714	17.6
149.13309	6.4
157.10106	17.2
159.11719	31.7
161.09575	5.0
161.13258	28.8
171.11781	20.7
171.13013	4.6
173.13245	8.4
175.11414	8.2
175.14828	94.0
176.15588	5.1
177.16473	5.8
185.13239	17.5
189.12804	6.8
189.16508	7.7
201.16437	24.5
203.14360	9.9
208.93390	4.2
215.17976	8.5
240.20415	4.4
241.19525	15.9
259.20584	100.0
259.23602	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	259.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
54.29820	1.9
55.01874	15.5
55.05508	11.6
56.05032	13.5
57.03414	2.0
58.99590	13.8
59.93987	1.7
61.01139	4.7
62.74458	1.6
63.08606	1.5
67.04218	1.8
67.05494	7.9
68.05019	6.1
68.93736	1.8
69.03420	4.0
69.07067	19.3
69.47890	14.7
74.00690	3.1
76.02231	3.7
76.04002	5.2
79.05492	69.4
80.05011	5.4
81.07056	37.9
82.06588	16.1
83.08595	1.9
84.04509	13.4
85.01129	98.5
85.04028	6.3
86.00652	26.3
86.99065	9.8
88.02221	4.9
89.03913	5.2
91.05467	5.0
93.07037	7.0
94.06575	11.3
95.04962	5.8
95.07357	2.2
95.08598	7.8
96.08125	14.4
97.01135	4.2
97.02924	2.1
97.06528	100.0
97.08929	8.8
98.09694	33.1
100.02197	3.2
102.05545	2.6
105.04512	1.8
105.07039	12.6
107.04971	2.7
107.08614	2.7
108.08119	6.7
109.08853	2.7
109.10155	2.9
110.09692	12.9
111.02612	2.2
112.03967	17.9
113.04230	99.2
114.05521	2.7
116.01676	22.3
117.03404	4.8
119.08590	3.5
121.10165	3.8
122.09669	16.7
123.10453	2.6
127.05811	1.9
130.05003	45.4
131.04544	2.3
131.08618	2.4
133.02867	3.9
133.10152	2.5
135.04407	8.7
135.50351	2.0
139.05777	5.6
141.06950	2.9
141.95319	1.6
143.02744	5.5
143.08542	2.4
144.01216	4.2
145.02861	4.7
145.06206	1.8
145.10066	2.2
147.04462	1.7
147.11641	3.8
153.06911	1.7
156.08427	81.0
156.10202	37.9
157.06462	1.7
157.10167	1.8
159.04381	3.1
159.11688	2.2
161.02362	15.9
162.02177	6.4
163.03908	39.6
163.05252	3.0
171.11784	3.2
173.02336	42.7
177.03320	9.2
189.03333	9.3
199.07549	2.2
201.16393	2.6
203.17853	1.9
213.05386	2.2
215.05055	3.0
215.07053	42.7
216.07066	2.1
241.19501	2.2
242.08414	14.5
259.05646	2.2
259.11404	59.0
259.20544	5.7
259.24219	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	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	1.9
56.05000	2.0
56.96541	7.9
57.03414	2.2
58.06578	2.0
60.08149	2.3
61.02896	1.7
67.05479	2.4
69.03406	5.3
69.07038	2.0
69.43440	1.7
69.94469	1.6
70.06608	12.2
71.04964	3.7
71.58795	1.6
71.59200	2.2
72.08141	2.7
74.00642	2.0
74.02404	5.5
79.05461	1.8
82.06567	1.9
84.04501	16.3
84.08149	14.6
85.02870	6.4
85.04730	1.7
85.08440	2.7
86.09678	7.1
88.03976	2.8
91.05453	2.9
92.18798	1.5
94.06565	2.0
95.04966	2.0
96.04453	3.7
97.02856	7.1
98.06054	2.6
98.97583	3.2
100.02216	10.9
103.24742	1.9
104.10689	3.3
109.02834	2.0
110.06014	1.8
111.04390	2.4
112.07562	2.0
114.05515	2.8
115.05409	2.7
116.10736	2.4
116.98585	3.3
119.01851	3.0
121.02776	1.9
122.96168	1.8
127.03901	2.4
128.06099	2.2
128.98557	2.0
129.01897	2.0
129.10185	5.1
130.04973	4.5
130.06465	2.9
130.08652	4.2
130.10556	4.8
135.04376	5.8
138.05446	1.6
138.09134	3.2
138.99965	5.2
140.03378	2.1
146.02739	8.6
149.02339	4.7
157.06395	2.3
158.04419	3.8
161.05951	6.1
163.03809	3.9
169.06235	2.4
170.55293	1.9
171.01033	5.9
175.00797	2.5
177.00650	2.5
185.05887	4.4
187.07504	3.6
189.02315	2.5
189.05324	6.3
190.28436	1.9
196.09637	3.4
197.05956	1.9
197.14044	1.8
199.02119	23.0
213.05389	12.4
213.07062	2.0
217.01901	3.4
217.04980	1.8
231.06483	14.5
241.03137	13.5
241.11963	3.5
259.04138	100.0
259.13116	11.0
259.16348	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	258.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60387	0.4
56.96563	17.7
71.46574	0.7
71.95267	2.4
98.97578	86.7
100.97201	0.5
100.97938	0.4
107.13931	0.4
116.98617	100.0
118.98219	1.1
118.99009	0.8
119.01954	0.9
134.99654	90.1
136.99210	0.6
137.00102	0.7
140.00182	1.5
153.00706	17.5
158.01289	2.8
174.97678	0.6
176.97530	0.4
177.00934	3.0
178.01036	1.7
179.00732	1.0
192.98730	1.2
201.00983	0.5
216.98653	1.4
219.02008	14.2
220.02153	3.6
224.98344	0.6
234.99695	2.9
236.99234	1.5
240.98610	4.2
242.03455	0.5
242.92786	0.5
247.54057	0.6
258.99738	48.2
259.99942	1.9
273.16644	0.4
277.00775	94.7
278.00897	3.1
279.01117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05508	0.5
56.05038	2.4
56.96570	1.3
58.06594	0.9
59.07377	0.7
60.05649	1.4
60.08162	4.7
61.02917	0.5
62.15016	0.3
67.05496	0.6
69.03426	0.8
69.07061	0.5
70.06597	1.1
70.74420	0.7
70.74750	0.3
72.08155	0.6
73.02904	0.5
79.05490	1.7
81.03414	0.6
81.04543	0.4
81.07052	0.4
82.06577	0.7
83.04987	0.4
83.06098	0.7
84.04505	21.5
84.08142	88.6
85.02907	0.8
85.08454	0.6
86.03551	0.8
86.09718	1.1
87.03920	0.4
91.05513	0.4
95.04960	0.6
97.02886	1.0
97.06480	0.6
97.07642	0.5
98.07989	0.6
98.97562	0.8
99.04417	0.6
100.02197	1.7
101.10794	2.5
102.05524	0.7
104.10733	1.9
107.03629	0.3
107.04959	2.7
108.04485	0.4
109.02902	0.6
109.06544	0.3
110.07166	0.6
111.04481	0.4
111.09212	1.0
112.07577	0.5
114.05586	0.3
116.98605	0.4
121.02897	0.3
125.05995	0.4
125.07126	0.6
126.05468	0.3
126.07475	0.7
129.10237	100.0
130.04053	0.4
130.04999	5.2
130.10617	0.4
133.01691	0.4
135.04408	2.1
139.03889	0.8
146.01588	0.2
146.02708	1.6
151.08638	0.4
153.05443	0.6
155.04663	0.6
161.04724	0.6
163.03923	0.8
164.05193	0.6
167.11783	0.6
168.09587	0.4
169.09711	0.6
170.05188	1.5
170.10060	1.8
172.11627	0.5
177.04335	0.6
180.01134	0.4
180.06712	0.3
181.04964	1.0
186.02371	0.3
187.07558	0.5
194.12909	0.5
195.11278	3.3
212.12178	1.7
212.13945	0.4
223.10754	0.3
231.02930	0.4
234.99002	0.5
240.11365	4.4
240.13597	2.1
241.09111	0.4
241.11876	1.0
258.08722	0.6
258.13171	5.2
259.04248	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.145
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
53.03937	0.4
55.01896	0.5
55.05510	1.0
56.05038	10.1
56.96555	1.3
57.03442	2.0
57.07072	0.5
57.65314	0.3
61.04049	2.1
65.47102	0.3
67.05505	0.4
68.05011	0.5
69.03419	0.9
69.04540	0.5
69.07052	0.5
70.02940	0.7
70.06597	2.2
70.95868	0.6
71.59859	0.5
71.60219	0.4
72.04519	10.0
72.08156	5.5
72.93779	0.5
74.02439	1.9
74.06071	1.7
75.22376	0.3
77.27415	0.4
79.05489	1.2
80.05006	0.4
81.04551	0.5
81.07062	2.5
82.06600	0.5
83.04934	0.6
84.04504	1.0
84.05624	0.6
84.08137	1.5
85.02925	0.7
86.09690	1.4
88.03992	0.4
88.07626	1.6
89.03474	0.4
89.04761	0.5
91.05467	0.7
93.07038	0.5
95.05005	0.6
95.08558	0.4
96.05621	0.9
96.08132	0.6
97.02847	0.5
97.07650	0.7
98.09698	1.3
98.97563	0.5
99.05584	6.7
99.08099	0.4
102.05518	1.5
103.18562	0.4
104.10736	1.0
105.07023	0.4
107.04974	0.5
109.06527	0.6
110.06035	1.1
110.07167	0.6
113.04221	0.4
113.07146	2.1
114.06654	6.6
114.09149	1.1
115.05022	0.5
115.08695	0.8
116.01660	0.6
116.98617	0.7
117.06628	1.8
118.04984	0.4
121.02840	0.7
121.06456	0.4
124.07568	0.5
125.07162	0.4
128.07068	0.9
129.10226	0.6
130.04974	0.5
133.96027	0.4
134.99635	0.7
136.07559	0.5
137.05994	0.5
138.05492	1.3
138.09282	0.4
138.10268	1.3
143.04506	0.4
145.06076	1.2
147.03236	0.4
147.04358	0.4
149.02336	3.7
156.08470	0.7
156.10204	1.1
157.06474	0.4
159.92006	0.3
160.07184	9.8
163.03853	0.4
168.11314	4.0
169.09689	0.9
180.10170	0.8
185.05943	0.7
197.05925	0.5
197.96233	0.4
212.13950	5.9
213.05431	0.8
214.11877	14.9
230.24831	0.9
231.06543	3.2
234.99156	1.7
235.01024	0.4
240.13522	3.8
253.00002	0.7
258.00714	0.8
258.14502	100.0
259.06070	2.6
259.11270	2.2
259.14734	1.2
267.04245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
54.03449	0.4
55.01866	0.6
55.05502	0.9
56.05034	18.4
56.96562	0.6
57.03422	1.6
58.99576	0.7
61.03794	0.3
61.04052	2.7
67.05489	0.9
68.05010	0.4
68.85267	0.3
69.03419	0.4
69.04557	0.4
69.07064	2.0
70.02947	0.9
70.06574	1.1
70.42129	1.1
70.99573	0.3
72.04511	9.5
72.08152	5.1
73.02878	0.4
74.02448	1.6
74.06062	1.4
79.05480	1.3
80.05026	0.4
81.04512	0.6
81.07056	3.4
82.02938	5.9
82.06564	1.2
84.04494	0.7
84.05611	0.6
84.08133	0.4
85.01117	0.8
85.02888	0.8
86.00633	0.6
86.09700	1.4
88.07626	2.6
89.03498	0.8
89.07150	0.3
94.06574	0.4
95.04939	0.5
95.06093	0.7
95.08582	0.3
95.39680	0.3
96.08097	0.8
97.40714	0.3
97.60906	0.3
98.09686	3.2
99.05569	5.3
99.08091	9.9
102.05544	2.2
104.10712	0.8
105.07043	0.5
108.08083	0.4
110.09673	0.4
112.05061	0.4
113.04218	1.4
114.06653	10.1
114.09136	0.5
114.15044	0.3
116.01673	1.1
117.06611	0.9
118.05028	0.6
123.09193	0.8
125.07111	12.3
125.08028	0.6
130.04947	0.5
137.03624	0.4
143.04514	0.6
144.01111	0.5
145.06003	0.3
156.08467	1.7
156.10226	2.2
157.06091	0.5
160.07175	21.9
162.02191	0.6
164.11807	0.3
166.09758	0.4
166.13387	1.3
169.09723	0.5
172.09567	0.3
177.03357	0.3
182.12874	0.5
184.14386	0.5
194.12914	0.5
212.13924	4.8
216.06905	1.0
226.11852	3.3
230.24721	0.5
234.99065	0.6
240.13420	22.5
258.14481	100.0
259.11258	3.7
259.14700	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1449
Annotation	H-ALA-ALA-PRO-OH
Peak:m/z	Relative Intensity
56.05037	14.8
57.03436	1.0
61.04032	1.6
69.90874	1.3
69.91267	1.0
70.06589	1.1
72.04517	7.7
72.08157	4.0
74.02454	1.1
74.06107	0.9
79.05490	0.6
81.04543	0.6
81.07071	2.9
82.02951	3.8
88.07628	4.0
89.03521	0.7
99.05581	5.2
99.08102	1.2
102.05526	1.4
102.69480	0.5
104.10748	0.5
114.06644	8.3
117.06617	0.9
123.09171	0.7
125.06239	1.0
125.07114	10.9
132.40729	0.5
143.04558	0.5
149.02324	0.8
156.07686	0.5
157.93652	0.4
160.07179	12.8
161.90141	0.5
166.13373	1.0
168.29883	0.5
184.14401	0.6
212.13922	4.8
222.28291	0.5
240.13445	20.4
246.22850	0.5
254.07622	0.6
258.14502	100.0
259.14847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93132	0.3
56.05026	0.9
56.96563	2.1
56.96799	0.3
57.03432	1.5
57.07064	0.6
58.06600	0.8
60.07875	0.6
60.08162	9.0
61.02916	1.0
67.05493	0.7
68.05024	0.4
69.03430	1.5
69.93890	1.8
70.06581	1.5
71.04996	0.5
71.07371	2.7
72.08143	0.6
73.02911	0.8
81.03430	1.2
82.05306	0.8
83.06104	2.4
84.04488	1.8
84.08154	2.3
85.02914	3.2
85.06541	2.4
86.09705	19.3
93.04523	1.2
95.06094	5.3
96.25159	0.3
97.02887	2.0
98.97565	1.5
98.98465	3.4
104.10741	100.0
105.11056	0.6
109.02874	0.8
109.07635	1.0
110.07162	17.8
111.05571	1.1
112.08720	0.6
112.99183	0.3
116.07059	0.4
116.98634	1.2
118.01111	0.5
119.01903	1.4
124.03985	0.5
124.07581	0.3
125.00003	23.6
126.06633	0.9
126.07516	0.3
127.03903	0.4
129.10236	0.8
130.04951	0.4
131.01884	0.7
133.03485	0.4
134.99695	0.5
143.01057	0.4
145.03467	0.7
146.99593	0.5
147.03159	0.5
149.01222	0.4
155.02846	0.5
155.04738	0.4
156.07687	1.3
157.03482	0.9
161.05544	0.5
162.03514	0.4
170.06116	0.6
173.02904	0.6
175.04565	0.5
177.04213	0.9
178.04933	1.4
184.07335	9.7
184.12045	0.5
186.04710	1.1
189.00648	0.4
197.12907	1.0
201.12093	0.3
203.04024	0.5
207.01846	0.4
212.10533	0.8
212.13924	14.7
213.12381	0.9
214.15511	0.6
234.03993	0.7
234.98901	0.4
235.06625	0.8
241.08217	0.3
253.07674	0.9
258.11060	17.7
258.14523	22.2
259.04379	0.3
259.12930	0.4
276.09473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.19
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
50.01052	1.1
53.10773	1.2
53.61703	1.3
55.05501	3.8
55.80862	1.2
56.32008	1.3
57.07067	3.7
58.59951	1.4
65.36331	1.5
67.05495	6.1
69.07059	5.7
70.86172	2.0
70.86488	2.5
71.04983	4.7
72.08138	5.1
79.05514	6.2
81.07051	6.2
83.04974	1.6
83.08604	3.3
85.06549	3.8
90.09173	4.9
91.05476	8.5
93.07049	10.0
95.04957	4.0
95.08597	9.6
97.06549	1.9
98.97616	2.0
104.18481	1.3
105.07035	18.1
107.08609	13.4
109.06506	8.3
109.10144	10.3
115.05425	1.7
116.98618	2.7
117.06989	3.1
119.07798	1.7
119.08588	20.4
121.10147	64.5
123.08057	3.9
128.06168	2.2
129.06996	6.2
130.07774	2.4
131.08594	11.7
133.10127	13.3
135.08061	11.9
135.11678	2.4
137.09608	5.6
141.06989	1.8
142.07777	6.0
143.08556	16.7
144.09377	3.1
145.10135	16.4
147.11693	2.9
149.09637	5.2
154.07787	1.5
155.08595	3.9
156.09334	4.2
157.10135	22.2
158.10860	4.2
159.08017	1.8
159.11693	22.0
161.09560	1.5
161.13248	1.6
163.11212	4.0
168.09451	3.2
169.10112	8.3
170.10899	2.2
171.11690	11.0
173.09605	2.3
173.13260	25.9
174.13992	2.8
175.11179	3.0
175.14868	2.2
177.12730	1.8
181.10056	1.2
182.10815	1.9
183.11700	10.7
184.12419	3.9
185.13309	1.6
187.11128	6.4
187.14836	4.7
188.11850	1.4
189.12866	2.3
195.11754	1.9
197.13263	9.6
199.14832	34.0
201.12721	9.0
209.13193	1.7
211.14677	2.0
213.16397	12.5
214.17184	2.6
215.14299	1.4
215.17961	9.5
239.17944	15.5
243.17210	1.5
250.00562	1.4
257.19016	100.0
257.26617	3.1
258.19400	2.5
258.27927	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	257.1899
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.66757	0.7
55.01841	1.1
55.05510	9.8
56.96548	2.1
57.03418	2.3
57.07061	2.6
59.04989	0.9
60.08151	2.1
60.21495	0.8
65.03940	1.5
67.05503	23.0
67.18670	0.8
69.07070	5.2
70.11726	3.8
71.04964	1.2
79.05492	10.0
81.07057	10.3
83.04999	1.3
83.08623	3.9
85.06521	1.1
87.31370	0.7
89.61518	0.8
91.04591	0.9
91.05484	15.2
93.07041	7.0
95.04974	1.1
95.08604	10.2
97.06506	1.6
97.10152	1.2
98.97591	4.9
99.08100	1.1
103.05423	1.3
105.07027	16.4
107.08562	4.0
109.06510	1.1
109.10163	5.6
115.05384	1.8
116.06244	1.7
116.98643	5.4
117.07015	20.5
119.08568	7.4
121.10137	3.2
123.08109	1.0
128.06212	4.4
129.06999	10.3
130.07790	4.4
131.08565	36.6
133.06425	1.1
133.10150	7.2
134.99654	7.4
135.08061	1.1
135.11707	2.4
141.06995	5.3
142.07755	3.0
143.08566	23.7
143.09694	1.2
145.06502	2.5
145.10120	100.0
146.10464	2.0
147.08072	2.0
147.11670	6.1
149.09573	0.9
153.00745	1.4
155.08545	6.9
156.09300	0.9
157.10130	12.0
158.01158	0.9
159.11688	15.7
161.09625	2.5
161.13228	2.2
163.11160	1.1
167.08621	1.2
168.09401	1.1
169.10110	9.3
171.11690	19.6
172.01839	0.8
173.09723	1.1
173.13266	9.6
175.11177	1.7
181.10141	1.2
182.10852	1.2
183.11690	13.9
185.13316	4.6
187.11227	5.3
187.14824	1.9
190.95151	0.8
195.11710	1.3
197.13249	12.0
199.14792	2.4
201.12737	2.5
201.16402	1.4
210.14172	0.9
211.14813	3.8
213.16373	2.6
215.14447	1.7
224.04822	1.1
229.15961	1.0
229.19485	10.7
239.17946	17.3
257.04428	1.0
257.19003	72.5
257.26721	2.5
257.30319	11.6
258.19260	1.9
274.17764	0.8
274.97574	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	257.0808
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.03956	0.5
55.05506	0.6
56.96560	1.0
57.07082	0.5
65.03929	0.9
67.05505	1.4
68.99799	1.7
69.03414	0.6
69.07037	0.5
70.26776	1.6
71.41754	0.4
72.53783	0.3
79.05480	0.7
81.03416	7.2
81.07048	1.0
87.84698	0.3
90.46152	0.3
91.05476	7.2
93.07022	0.6
95.01389	0.5
95.04967	2.5
95.08625	0.8
96.02127	0.4
98.97582	1.2
105.07027	1.1
107.04967	2.4
107.08595	0.4
109.02869	1.1
109.10130	0.9
111.04427	1.2
116.98628	1.2
117.03378	3.8
117.07005	0.8
119.04943	17.5
119.08555	0.5
120.29984	0.3
121.02833	0.4
121.10197	0.4
123.04427	3.2
127.03958	0.5
128.06248	0.5
129.07042	0.7
131.08563	1.3
133.10114	0.7
134.99683	1.4
135.04384	0.7
137.02338	100.0
138.02670	1.0
141.07027	0.7
143.08534	1.2
145.10150	2.6
147.04405	35.0
153.07025	0.6
155.03429	1.2
155.08531	0.8
156.09354	0.4
157.10120	1.1
159.11703	1.0
163.03893	2.6
165.07008	2.3
168.05745	0.5
169.06427	0.8
169.10158	0.5
171.08028	0.5
171.11737	0.8
173.05975	0.5
173.13214	0.3
183.08064	1.2
183.11533	0.4
187.07494	0.8
190.95332	0.5
197.05974	1.3
197.13266	0.5
211.07527	6.0
214.06256	0.5
215.07031	0.4
229.08630	0.7
239.07034	5.3
239.18044	0.7
242.05722	2.8
245.63951	0.4
257.08081	83.2
257.18909	3.0
257.26694	0.4
258.08469	1.3
274.97504	1.2
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
53.03952	1.3
53.88459	1.3
54.51517	1.1
55.05524	6.8
56.12059	1.0
56.96559	1.6
57.03441	16.4
57.07066	1.7
61.69398	1.0
67.05179	1.3
67.05506	16.6
69.07069	7.3
69.35706	7.0
69.36132	3.9
72.08146	4.4
79.05499	10.0
81.07059	13.6
83.08615	4.5
85.06532	1.5
90.09191	3.2
91.05476	17.2
91.90144	1.0
93.07044	9.1
95.04953	1.5
95.08617	11.6
98.97578	3.2
99.08099	5.4
103.05492	1.2
105.07034	18.4
107.08609	5.8
109.06516	3.2
109.10178	2.1
109.49965	1.2
111.08077	1.5
115.05471	3.1
116.06238	2.7
116.98620	5.7
117.07022	35.9
119.08582	12.5
121.10147	3.5
123.11610	1.1
128.06232	6.3
129.07005	35.6
130.07735	3.5
131.08563	32.6
133.06467	1.7
133.10158	6.8
134.99643	5.1
136.21823	1.2
141.07031	5.9
142.07787	5.2
143.08568	26.3
144.09329	2.7
145.06496	2.0
145.10127	58.6
147.11728	7.5
149.09601	2.7
155.08559	6.3
157.10135	25.2
158.10881	1.3
159.11702	40.9
161.09630	4.8
161.13225	1.9
163.11147	2.0
167.08609	1.6
168.09361	1.7
169.10127	11.3
170.10948	1.7
171.11699	11.5
173.09639	1.8
173.13275	13.8
175.11212	2.9
182.10942	1.2
183.11711	14.1
185.13263	86.0
186.13617	2.4
187.11179	2.4
190.95561	1.2
192.39589	1.3
197.13240	10.6
199.14798	4.4
201.12842	1.5
201.16447	6.0
211.14832	4.5
216.14842	1.1
229.19537	6.6
239.17970	31.1
255.95692	1.3
257.04553	1.6
257.19016	100.0
257.26642	5.1
258.19330	4.2
258.27921	22.5
268.88019	1.1
274.97559	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	256.9645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	18.8
63.39035	0.4
66.35959	0.4
69.88219	3.1
71.95270	3.0
87.03146	0.5
98.21465	0.9
98.97583	100.0
99.97964	0.6
115.87141	0.4
116.98621	96.3
130.93288	2.8
134.99660	58.9
138.28418	0.5
140.00201	2.1
148.94345	0.6
153.00713	8.3
158.01251	1.1
172.94354	3.8
177.00946	1.0
190.95363	7.7
192.98656	0.7
197.20171	0.4
208.96458	4.5
214.95425	1.4
216.98680	0.6
219.02014	1.0
232.96461	7.1
234.99730	2.0
241.94124	0.5
245.96294	0.4
250.97510	6.5
256.96426	8.7
274.97510	60.9
275.97751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74701	0.3
54.98645	0.4
56.96563	20.5
57.97348	0.3
70.27499	1.4
71.95261	3.1
73.57452	0.3
75.82934	0.3
76.17321	0.3
98.97580	100.0
104.91472	0.3
110.86600	0.3
116.98615	91.5
130.93286	2.5
134.99654	48.1
140.00198	1.2
148.94333	0.8
153.00706	6.7
158.01271	1.5
161.53706	0.3
172.94330	3.5
177.00835	0.3
179.81287	0.3
190.95384	7.5
190.97040	0.6
208.96475	3.1
214.95471	1.2
216.98715	0.4
232.96451	7.4
233.00098	0.3
234.99834	0.5
250.97501	4.9
256.96423	5.2
274.97495	43.0
275.97955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.9
55.01873	4.4
55.05265	3.1
55.05514	35.8
56.05040	4.4
56.96546	3.1
57.03440	59.8
57.07071	7.1
61.32170	2.0
65.03925	3.6
67.05510	85.7
68.70162	2.1
69.03442	3.3
69.07073	36.2
71.01340	5.5
71.04997	11.9
71.08636	3.1
79.05496	84.7
81.03433	13.1
81.07063	49.0
83.04983	25.1
83.08624	13.6
85.02924	3.4
85.06555	7.0
91.05479	37.3
92.56449	2.0
93.07050	91.0
95.04975	12.7
95.08608	21.3
97.06538	22.7
97.10177	18.8
98.98469	17.0
99.08108	7.0
105.07044	14.1
107.04970	4.2
107.08605	61.8
109.06506	6.9
109.10165	15.3
111.08088	5.1
117.07018	10.6
119.08596	18.2
121.06526	4.2
121.10154	16.6
123.11697	2.9
125.09628	5.2
127.03909	2.0
127.05081	2.1
131.04944	3.7
133.10146	8.0
135.08047	3.4
135.11700	100.0
137.09587	4.3
143.08620	5.4
145.10130	19.0
147.11687	2.2
149.13248	4.6
153.12657	2.9
155.08549	4.2
157.10118	6.3
159.11789	2.4
163.11172	11.1
167.08557	3.8
167.10725	2.0
169.10144	2.3
171.11780	4.8
181.06540	2.3
181.12254	17.6
183.11853	2.4
185.09688	3.1
185.13301	3.5
195.07968	4.9
195.11757	3.9
197.13173	3.6
199.14966	3.0
219.13846	2.5
227.06921	2.2
232.99942	2.1
233.70016	2.0
237.18549	5.8
255.06583	11.3
255.10236	6.5
255.15663	51.8
255.21114	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	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87946	1.1
51.02384	1.1
53.03926	4.2
55.01847	4.1
55.05510	31.7
57.03436	56.1
57.07051	5.0
65.03912	3.2
67.05505	84.4
69.03405	1.8
69.07066	27.3
69.39270	9.1
71.01330	5.2
71.04990	8.6
71.08605	1.3
79.05492	86.5
81.03411	11.8
81.07055	42.3
83.04974	29.2
83.08591	5.0
85.02894	1.2
85.06559	6.2
90.97304	1.1
91.04915	1.5
91.05479	35.8
93.07042	90.7
95.04971	12.1
95.08619	12.5
97.05916	1.6
97.06531	25.8
97.09643	1.3
97.10164	16.5
98.98470	5.3
99.04469	1.4
99.08048	2.8
101.34663	1.3
103.05451	1.8
105.06492	1.1
105.07034	11.3
107.04960	8.1
107.08597	60.0
109.06505	2.7
109.10157	11.2
111.08038	4.0
111.11713	1.5
115.05389	1.3
117.07009	8.1
119.08579	12.2
121.06479	3.3
121.10139	13.5
125.09587	6.1
128.06235	1.2
130.07724	2.1
131.04929	15.2
133.06488	1.1
133.10164	6.4
135.08040	2.4
135.11690	100.0
136.12019	2.4
137.05942	1.7
137.09547	3.6
143.08527	3.5
145.10139	18.3
153.12697	2.8
157.10065	1.9
161.05945	4.2
163.11185	12.8
163.37688	1.4
181.12215	13.6
195.08038	1.3
199.13249	2.3
255.10226	13.9
255.15836	57.8
255.21092	1.9
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
50.01593	1.1
53.03929	3.6
55.01851	5.0
55.05511	28.8
55.79750	1.0
56.96534	1.2
57.03436	55.3
57.07054	4.8
65.03938	3.0
67.05502	80.4
69.03415	1.6
69.06725	1.7
69.07063	25.2
69.27975	11.8
69.28385	2.4
71.01321	4.1
71.05006	7.5
72.97639	1.0
79.05490	78.6
81.03422	12.3
81.07055	36.1
83.04975	25.3
83.08624	7.3
85.06563	7.0
91.04906	1.4
91.05475	32.4
93.07040	83.6
95.04966	10.7
95.08607	11.9
97.05927	1.5
97.06528	24.8
97.09534	1.4
97.10159	16.4
98.98436	4.6
99.04416	1.4
99.08054	3.7
105.07034	7.7
107.04904	2.8
107.08588	50.9
109.06507	2.1
109.10159	8.8
111.08034	3.6
117.07004	8.2
119.08583	10.8
121.06506	2.4
121.10133	11.3
125.09580	3.0
126.36874	1.2
133.10144	6.2
135.08017	2.0
135.11685	100.0
137.09529	2.7
143.08493	2.1
145.10110	17.3
153.12711	3.2
163.11165	10.3
181.12228	13.5
199.13277	1.8
237.18381	1.4
255.15834	53.2
255.19972	2.1
256.16074	1.5
259.26163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77626	2.6
53.03947	4.9
55.01871	5.3
55.05509	33.6
56.96566	3.8
57.03158	3.0
57.03440	57.7
57.07063	6.8
67.05508	85.9
69.03425	5.0
69.07072	33.5
69.83773	2.4
71.01349	4.3
71.04995	9.4
71.21069	2.5
71.21400	4.0
72.01034	2.3
72.08144	2.5
75.33926	2.5
79.05501	85.1
81.03421	12.4
81.07063	43.9
83.04982	26.8
83.08614	13.2
85.06537	7.6
91.05489	37.3
93.07050	88.8
93.66795	2.2
95.04955	9.8
95.08599	19.9
97.02886	3.5
97.06535	25.8
97.10175	23.6
98.98469	24.4
99.04462	2.8
99.08109	5.3
105.07021	8.7
107.04958	4.9
107.08596	55.9
109.06519	4.3
109.10153	16.7
111.08088	4.6
117.07030	7.9
119.08598	13.5
121.06468	2.9
121.10143	16.4
123.11737	3.4
125.09650	5.0
128.06221	3.8
133.10130	9.2
135.08064	3.4
135.11702	100.0
137.09637	2.9
145.10146	18.8
153.12683	5.4
157.10155	4.5
159.11649	3.4
163.11212	15.2
181.12273	18.9
185.13451	4.3
195.08119	2.9
197.13368	4.2
237.18484	3.9
240.09067	3.2
255.06548	11.2
255.10236	2.8
255.13524	3.4
255.15787	47.3
255.21124	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	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.40535	1.3
53.03922	4.7
55.01841	5.3
55.05510	31.0
56.96542	1.8
57.03436	62.6
57.07058	6.9
65.03913	2.6
67.05502	100.0
69.03396	2.0
69.07065	26.1
69.68237	8.8
70.06557	2.8
71.01312	5.1
71.04997	10.2
71.08594	1.4
79.05489	88.7
81.03419	12.1
81.07056	44.7
83.04977	29.5
83.08620	9.1
85.02909	1.3
85.06501	5.4
87.26740	1.1
88.07594	1.8
88.97168	1.1
91.05479	38.0
93.07040	90.3
95.04968	14.7
95.08604	15.7
97.06531	26.6
97.10164	16.6
98.98465	8.4
99.04424	1.6
99.08049	4.2
105.07015	10.4
107.04884	4.0
107.08588	58.3
109.06520	2.9
109.10145	11.1
111.04403	1.5
111.08012	3.7
111.11687	2.0
115.05438	1.5
117.07030	10.7
119.08575	12.8
121.06417	3.5
121.10132	14.6
122.85708	1.2
125.09550	5.5
128.06174	2.2
129.06926	2.3
130.07732	2.3
131.08536	1.5
133.10107	6.0
135.07976	4.7
135.11682	97.4
136.11980	1.9
137.02307	1.3
137.09550	2.3
143.08475	4.3
145.09079	1.3
145.10107	20.6
153.06984	1.3
153.12653	4.0
157.10048	2.7
163.11174	12.9
169.10052	1.7
181.12212	13.4
183.11636	2.3
195.11604	1.7
219.08315	1.4
219.20984	1.5
237.16139	1.8
255.06355	2.9
255.15749	53.5
256.26300	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01862	5.3
55.05508	33.5
56.96560	3.9
57.03435	57.3
57.07071	11.7
65.03930	4.0
67.05502	84.1
69.03409	2.3
69.07064	27.3
69.91445	5.4
69.91848	3.9
71.01344	5.6
71.04984	7.7
71.08617	2.1
79.05490	81.0
81.03413	10.6
81.07055	47.7
83.04977	29.8
83.08622	8.8
85.06538	7.6
91.04905	2.5
91.05474	37.5
93.07037	94.4
95.04956	12.5
95.08611	15.8
97.06522	21.4
97.10172	19.3
98.97565	2.1
98.98461	13.8
99.04420	2.1
99.08083	3.0
100.07610	3.7
105.07030	12.2
107.04955	4.0
107.07862	3.2
107.08593	59.8
109.06522	3.0
109.10145	12.7
111.08080	4.0
117.07020	9.7
119.08580	13.4
121.06525	4.3
121.10148	12.6
125.09628	2.7
127.07601	2.3
129.06978	1.9
131.08598	2.6
131.56236	1.8
133.10132	7.2
134.99530	2.0
135.11690	100.0
137.09636	4.0
139.39690	1.9
143.08575	3.0
145.10103	18.5
149.01256	1.9
153.12726	3.3
157.10132	2.6
163.11206	11.7
171.11722	2.4
177.00713	2.6
181.12236	15.5
227.10815	2.7
239.05669	2.0
250.24785	1.7
255.06544	6.5
255.10207	3.8
255.15791	48.7
255.21086	3.2
255.25195	12.7
256.26385	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	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01855	4.4
55.05272	2.1
55.05509	31.7
56.96537	3.1
57.03436	56.4
57.07050	6.0
57.07321	1.6
62.06062	2.6
63.83091	1.5
65.03934	2.7
67.05502	81.8
68.32156	1.4
69.07063	26.8
69.27214	18.0
71.01344	3.8
71.05004	7.4
76.16595	1.5
79.05491	80.2
81.03412	9.4
81.07053	39.6
83.04561	1.7
83.04979	24.9
83.08617	8.4
85.06509	5.9
88.07627	1.5
91.04966	2.4
91.05473	30.2
92.21548	1.4
93.07040	82.3
95.04948	9.4
95.08588	13.1
96.82102	1.4
97.06531	21.2
97.09634	1.5
97.10175	16.3
98.98463	7.3
99.04450	2.2
99.08064	4.1
105.07014	9.6
107.04932	3.7
107.08590	55.0
109.06483	4.2
109.10166	9.0
111.08057	3.7
117.07019	9.0
119.08542	11.4
121.06469	2.5
121.10121	9.3
125.09599	4.4
130.07713	2.3
131.08540	2.7
133.10057	5.7
135.11687	100.0
136.11928	2.0
137.09612	3.4
145.10097	13.2
153.12738	3.7
157.10010	1.6
163.11136	12.0
181.12195	13.8
219.26398	1.7
255.06401	6.1
255.10153	2.0
255.13329	2.8
255.15842	52.4
256.26276	4.7
265.63605	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01857	1.0
55.05507	1.7
56.05036	1.3
56.96561	2.5
57.03437	0.9
57.07080	1.1
61.02917	0.6
65.03922	0.9
67.05509	2.5
68.05019	1.6
69.03429	1.2
69.07090	2.3
69.88039	0.9
69.88425	2.1
70.06596	2.6
71.04982	0.7
72.04512	1.3
72.08133	0.6
73.02921	0.5
79.05493	5.5
80.05027	0.8
81.03423	1.5
81.05811	1.3
81.07061	4.7
82.06584	0.9
83.04987	1.2
83.08593	0.6
84.08155	1.2
85.02914	1.5
85.10181	0.4
85.68579	0.4
86.09715	0.7
91.05482	4.7
93.07037	1.6
94.06578	2.3
95.01336	1.6
95.04972	2.8
95.08617	1.0
96.04494	0.8
96.08134	100.0
96.55214	0.4
97.02911	0.9
97.06530	1.5
97.08454	1.2
97.10181	0.6
98.21398	0.6
98.98468	5.1
99.05613	0.6
99.08132	0.4
101.06055	0.4
102.87702	0.4
105.07001	0.9
107.04974	1.2
107.08644	1.1
109.02874	2.9
109.06510	3.1
109.10176	0.7
110.07120	0.7
111.04445	1.0
112.07587	1.0
114.06665	1.8
116.98627	0.4
119.04973	1.9
119.08574	0.7
121.02884	1.0
121.06477	0.6
121.10098	0.5
122.03200	0.7
122.07151	0.6
123.04458	0.9
123.05554	0.9
123.08084	0.5
124.03989	0.5
125.06029	0.8
131.08566	0.6
135.04451	0.7
135.11717	0.6
137.05984	17.5
143.05679	0.6
147.04353	0.6
149.05957	0.6
151.03928	0.7
153.05444	0.8
160.07187	19.5
163.03918	1.0
165.06943	0.7
165.99551	0.6
167.07053	0.6
181.06619	0.5
187.04434	0.4
189.97882	1.5
191.03394	0.6
191.07179	0.4
193.08826	0.4
207.98994	1.1
209.08083	0.9
219.21051	0.5
224.10393	0.9
235.62294	0.4
237.02750	0.4
250.13358	0.4
251.58380	0.4
255.06451	1.4
255.08600	0.6
255.14452	1.7
255.17738	1.0
256.12982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95921	0.7
56.96587	2.8
60.04522	0.8
60.08163	90.2
61.87464	0.8
61.96423	0.8
65.03931	6.1
69.03452	0.9
69.31093	4.1
69.31525	3.6
70.06638	0.8
79.05521	1.2
79.11440	0.7
81.07063	1.2
82.77193	0.7
83.06144	1.0
85.02928	0.9
87.04462	0.7
89.03950	0.8
91.05482	9.8
93.03407	11.0
93.03963	0.8
93.07066	0.7
95.04984	1.4
95.06079	1.6
97.04018	0.8
98.20780	1.3
98.98476	3.3
103.05480	1.2
107.05001	1.2
109.07620	1.7
110.03677	2.3
110.07160	3.7
111.04437	31.9
116.98627	0.7
119.04929	5.9
121.02845	1.1
121.06495	2.9
124.07616	0.9
125.05992	42.0
134.03665	1.1
134.99747	0.8
135.04424	0.8
136.07370	0.7
137.05890	1.0
149.05981	83.8
151.07509	1.9
153.05463	100.0
161.01266	1.2
163.03897	1.5
163.12285	2.0
167.06938	1.1
177.05492	5.8
195.06525	75.3
202.55403	0.7
208.14360	2.6
229.59816	0.8
249.02785	1.5
254.13821	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14238	2.7
54.79343	2.7
55.01873	3.5
56.96568	23.4
57.07056	3.7
60.04521	16.5
60.42487	2.9
61.02910	6.6
67.05498	3.3
69.03441	4.7
70.06615	2.7
70.62746	8.9
71.01346	7.8
72.08156	4.4
75.04475	15.4
81.04500	3.0
85.02919	3.7
87.04468	5.5
93.07037	2.7
94.48991	2.5
95.04866	2.9
95.06087	3.3
95.08643	3.3
97.02886	4.4
98.97625	3.4
98.98467	23.7
103.03947	21.4
109.07626	4.2
110.07155	3.7
111.04466	2.6
116.98613	3.0
118.99530	2.5
120.08121	13.8
121.07826	2.1
121.08448	20.4
122.06083	3.1
122.07074	3.5
123.04426	3.4
131.03409	5.1
134.01082	2.8
135.04367	2.8
143.00148	5.7
153.06604	9.5
159.02893	57.0
161.01212	20.2
163.03862	4.4
166.08649	8.5
167.09042	14.0
179.09200	4.3
185.01254	2.9
187.02541	5.2
200.55933	2.8
206.61345	3.2
208.11726	4.0
210.14885	8.5
219.05000	100.0
231.01665	3.8
235.02075	2.5
249.02864	11.0
253.58498	2.8
254.11975	3.2
254.17462	13.9
267.03925	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	254.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91412	0.2
50.93935	0.2
52.45335	0.2
56.05029	0.6
56.96558	0.8
57.03437	0.8
68.05024	0.6
69.04558	4.5
70.06595	1.2
70.88204	0.5
73.02924	0.3
80.05018	0.8
81.04543	8.4
85.02879	0.6
86.06063	1.5
95.06091	1.2
97.07632	0.2
98.98481	0.7
99.05573	0.3
107.06074	2.2
108.06866	2.1
109.07645	32.1
114.05539	3.4
119.01778	0.2
122.02396	0.3
123.05564	0.8
125.07106	1.1
134.99643	0.3
136.08699	0.4
138.10252	0.5
142.08617	1.8
152.08139	0.6
153.06593	100.0
154.07001	0.4
176.06099	0.2
182.09268	0.6
186.07632	1.4
208.10844	2.5
210.12495	0.3
212.26418	0.2
228.30002	0.2
230.98169	0.3
236.10226	1.3
242.31575	0.2
242.65285	0.2
248.99171	0.5
254.11380	12.5
267.00247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	Aspergillide C
Peak:m/z	Relative Intensity
53.03947	1.7
55.01878	10.8
55.05513	10.8
56.96555	3.7
57.03433	3.1
57.07058	5.2
57.41310	1.6
58.61038	2.1
65.42750	2.0
67.05171	3.4
67.05508	47.1
69.03429	4.7
69.07075	15.5
69.81956	6.2
69.82368	4.9
70.95712	2.2
71.04985	6.1
79.05494	15.8
81.03430	7.8
81.07063	49.6
83.04994	8.9
83.08623	3.5
84.27100	1.8
85.06554	7.3
91.05487	37.1
93.07041	15.5
95.04971	8.0
95.08614	12.7
97.02870	2.3
97.06526	5.1
97.10150	4.3
98.68662	1.9
98.98466	92.6
99.04462	3.7
105.07044	33.9
107.08597	26.9
109.06534	6.6
109.10159	49.4
111.08060	2.8
113.06036	3.6
116.99512	3.8
117.06993	2.3
119.08598	4.0
121.10144	2.6
123.08028	2.9
123.11707	12.2
127.07587	2.5
133.06429	2.8
133.10133	58.9
135.08147	3.3
137.06036	1.8
137.09639	2.0
141.05470	2.3
151.11197	31.2
155.08623	2.4
155.76221	1.8
157.10188	1.9
161.09630	2.6
162.06306	2.1
169.12291	5.2
175.61766	2.1
179.10738	3.1
182.42734	1.8
183.11705	2.4
189.16452	1.8
194.08916	2.9
197.11784	5.5
211.52983	2.2
219.04182	2.5
233.33086	1.9
235.13382	2.2
248.08965	2.5
253.08749	3.5
253.14394	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03937	2.2
55.01875	12.5
55.05505	8.8
57.03418	6.3
57.07058	4.2
67.05505	40.1
69.03422	4.1
69.07070	8.6
69.41730	8.4
69.42163	8.6
71.04984	4.4
76.93095	1.9
79.05506	15.8
81.03410	7.2
81.07059	36.2
83.04973	6.6
83.08604	2.2
85.06528	4.7
91.05472	31.8
93.07060	10.5
94.37594	1.8
95.04976	6.9
95.08611	7.8
97.06532	3.3
98.20794	3.5
98.98470	30.7
102.90305	1.7
105.07038	27.3
107.08589	22.2
109.06543	1.9
109.10155	45.3
113.05951	2.8
123.11692	6.9
127.07536	2.6
128.46227	1.9
131.08603	2.4
133.10135	53.4
143.08578	1.9
151.11177	24.3
161.09648	2.2
169.12184	4.0
179.10677	1.9
253.14354	100.0
256.46646	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1433
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
53.03944	1.8
55.01874	9.5
55.05515	9.6
57.03425	4.3
57.07068	4.6
58.34097	1.8
58.59438	1.5
63.54231	1.4
65.03931	2.6
67.05502	34.0
67.26238	1.7
69.03426	3.7
69.07059	10.3
71.04986	5.2
71.08625	2.6
71.60611	2.5
79.05488	18.3
81.03414	4.7
81.07056	37.9
83.04967	9.4
83.08600	2.7
85.06535	4.7
91.04966	2.7
91.05486	32.7
93.07050	10.8
94.73572	1.6
95.04987	10.2
95.08599	6.7
97.06536	4.4
98.21421	1.6
98.97862	3.0
98.98467	37.3
99.08110	2.0
105.07030	27.7
107.08593	22.4
109.06498	4.9
109.10155	40.1
113.06041	2.0
117.07030	2.7
119.08564	2.3
121.10098	1.7
123.11707	7.7
131.08592	2.2
133.06512	1.9
133.10133	47.7
143.08466	1.7
147.11604	1.8
148.97514	1.7
151.11191	25.8
161.09624	2.8
169.12238	3.5
197.11745	3.8
253.14359	100.0
254.14709	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05514	0.4
70.85204	0.9
74.02453	2.5
79.05499	0.7
81.07054	3.0
84.25570	0.3
88.03989	4.0
91.04913	0.5
91.05484	7.4
94.04056	1.6
98.98457	0.9
102.03545	0.3
105.64543	0.3
108.79361	0.3
111.10011	0.3
116.03462	1.1
119.03560	2.1
132.55295	0.3
134.04504	5.8
136.06189	100.0
137.04622	1.9
137.06543	0.5
234.07533	0.4
234.13501	16.4
252.14560	64.2
253.14859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0818
Annotation	5-Hydroxy-N-formylkynurenine
Peak:m/z	Relative Intensity
52.19176	1.3
55.05510	2.8
56.96569	6.2
57.03430	1.6
57.07071	4.6
58.06609	1.3
60.04501	1.4
64.16003	1.2
67.05494	4.6
69.03432	3.6
69.07057	3.6
71.04989	3.6
71.59087	1.7
74.02441	4.0
79.05496	2.1
81.07062	7.5
83.04991	1.8
84.08138	2.4
85.02886	2.3
88.12116	1.3
91.05487	2.6
93.07063	2.0
95.04990	1.6
95.08601	5.9
97.02880	3.3
98.98471	100.0
106.06541	3.4
107.04926	2.7
107.08566	1.5
108.04470	1.4
109.02835	1.2
109.10154	3.3
110.06107	2.2
110.07130	1.2
111.04453	1.3
116.98666	2.8
116.99498	6.4
117.11625	1.3
118.06551	3.5
120.04454	2.4
121.10085	1.5
122.06038	1.8
123.04404	2.4
124.04008	1.9
124.07594	1.1
126.05513	1.9
128.65704	1.4
133.07613	2.2
133.10031	1.4
134.06015	20.9
134.99716	1.9
135.04402	1.7
136.03903	2.0
136.07596	1.8
137.09697	1.1
138.05537	1.3
138.61864	1.3
141.05450	3.0
144.04491	1.3
146.06006	29.8
147.04445	1.7
150.05516	1.5
152.07066	3.7
153.07855	1.7
161.07111	4.6
162.05508	45.7
164.03455	10.0
165.06999	1.5
172.03990	2.1
173.07143	1.6
174.05450	1.9
175.03833	1.2
176.91147	1.3
179.10727	1.4
189.06631	5.7
190.04996	7.7
190.07579	1.7
191.08473	6.2
194.11765	2.9
197.11769	5.2
207.07681	18.2
208.06088	2.5
218.04526	1.6
219.07742	5.6
220.08376	3.9
235.07149	5.4
235.14438	3.8
236.05547	3.4
236.07990	2.7
253.08377	11.2
253.13266	3.8
253.15549	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68185	0.4
55.05517	0.8
56.96571	0.8
57.03440	0.4
57.22833	0.4
68.99804	0.5
70.02949	0.6
70.87363	1.4
79.05495	1.0
81.07056	2.3
87.00834	1.8
91.05476	1.2
93.07043	1.7
94.04053	1.2
95.04964	0.7
98.20801	0.4
98.97579	0.4
98.98463	3.0
103.05457	6.8
105.06979	0.6
116.98666	0.5
118.06538	9.2
119.03559	1.4
120.08104	100.0
121.08476	0.7
128.04988	1.0
136.06183	73.5
137.04585	1.8
146.06015	18.0
160.07605	0.9
161.06013	0.9
164.07083	0.9
166.08643	1.8
188.07077	14.4
188.08815	0.7
192.06535	1.1
193.08556	0.5
206.08119	55.9
207.08467	0.6
234.07591	0.9
234.11115	0.6
234.13484	11.0
234.15739	0.9
248.50369	0.5
250.94835	0.4
252.12364	1.4
252.14543	36.5
252.19060	0.9
252.23288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1231
Annotation	Ac-Tyr-OEt
Peak:m/z	Relative Intensity
52.73928	0.6
55.01862	1.4
56.05032	0.8
56.96560	0.7
60.04530	0.9
63.08435	0.5
67.05505	0.9
69.03447	1.0
69.07039	0.7
69.29174	4.2
69.29604	2.7
79.05491	3.4
81.07027	0.9
91.05473	2.3
91.93013	0.6
95.04944	0.9
98.98471	8.3
102.54671	0.6
103.05477	3.7
105.07034	33.9
107.08547	0.7
115.05453	7.5
118.04166	2.4
121.06544	0.6
131.04967	0.9
132.05693	1.2
132.08087	2.0
133.06499	30.3
140.51772	0.6
143.04948	1.2
143.06035	2.0
145.10098	0.8
146.06003	0.9
146.10544	0.9
151.20068	0.8
160.07582	26.6
161.05989	38.5
167.07063	3.4
172.07478	0.8
178.06262	1.3
178.08649	1.9
188.07108	3.3
191.09424	29.0
192.10144	0.7
193.08611	48.0
194.08891	0.6
202.69154	0.6
205.07324	0.6
206.08139	10.8
208.09724	3.8
210.11246	7.8
219.08928	7.0
220.09659	2.1
222.07643	2.8
229.12816	0.8
236.09145	1.8
237.09952	11.3
252.12321	100.0
253.12538	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05504	2.0
56.96560	1.0
57.03431	8.8
63.86904	0.8
65.03941	1.6
67.05500	3.4
69.03454	1.1
69.07051	0.9
70.06604	1.4
71.60174	0.9
71.60555	0.9
79.05508	5.1
80.05017	0.9
81.03394	1.3
81.07056	3.5
82.07388	0.9
83.04974	1.1
88.07643	1.9
90.97718	0.8
91.05475	4.7
93.07030	2.0
94.06586	2.5
95.04967	1.6
95.08600	1.8
96.04497	1.3
97.58110	1.0
98.98469	25.7
101.06040	1.0
105.07020	11.9
106.06589	2.1
106.07342	1.4
106.73912	0.9
107.08611	5.5
109.05276	2.1
109.06477	1.2
110.06103	1.0
116.99534	1.5
120.08088	1.2
121.06528	0.9
121.08884	1.5
122.05961	1.4
122.09677	2.9
124.07550	1.6
131.08536	2.2
132.08075	2.7
133.06471	2.5
133.08908	1.7
134.06029	2.7
135.08090	1.6
138.09093	1.5
146.09554	1.1
148.07541	2.1
148.11156	4.4
149.08328	1.4
150.09186	1.8
151.18607	1.0
152.07036	1.2
153.07745	1.1
156.08067	1.7
158.09615	1.3
160.07541	0.9
161.08369	1.5
161.09639	1.5
166.12294	6.8
171.10536	1.3
176.10701	38.9
180.82433	1.0
185.08351	1.2
186.12790	1.9
194.11766	100.0
195.12195	1.2
204.13838	3.7
214.12291	5.1
232.13324	36.0
250.11592	2.9
250.14413	14.4
250.17979	2.3
250.21603	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91443	1.0
55.05501	2.2
56.96545	1.2
57.03442	11.8
62.19933	0.8
65.90343	0.9
67.05497	3.3
68.05011	1.2
69.07075	1.1
70.02939	1.1
70.06600	4.9
70.31828	0.9
71.60674	1.5
71.61122	1.2
72.04538	1.0
75.53857	1.0
76.58260	1.0
79.05499	11.0
80.05838	1.4
81.07044	5.4
81.25674	1.1
82.06580	1.6
82.07346	1.0
83.04967	1.1
84.68011	1.0
86.06068	1.3
88.07636	6.6
91.05474	11.7
93.07034	2.9
94.06571	3.6
95.04986	2.2
95.08600	3.2
98.98468	30.8
101.06020	26.4
101.51247	1.1
103.05465	2.4
105.03391	1.0
105.07035	32.5
106.06559	5.2
106.07256	1.0
107.04966	2.5
107.08581	11.8
108.08082	2.3
109.06476	2.1
109.10128	2.2
115.05431	1.2
116.99522	1.5
119.07359	1.1
120.08088	2.6
121.10150	1.0
122.05994	2.0
129.06946	1.1
131.08569	3.3
132.08064	6.4
132.08922	1.2
133.06485	10.8
133.08875	5.2
134.06013	1.1
134.09613	1.9
143.08527	1.2
146.09618	1.2
148.07564	2.6
148.11197	10.5
150.09117	1.5
152.14340	2.2
153.14699	5.1
159.08031	1.2
161.08363	1.3
166.12262	15.0
176.10710	100.0
178.08652	2.8
188.07988	1.4
194.11771	93.1
195.12093	1.9
205.59146	1.4
214.12296	1.0
232.13374	7.3
245.00645	1.1
250.11540	5.7
250.14418	12.0
250.18588	1.0
250.21370	1.7
250.23706	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86986	0.3
55.01878	0.3
55.05510	0.7
64.33598	0.3
67.05495	0.4
69.07062	3.6
71.36993	0.6
73.06538	0.7
73.68489	0.3
79.05492	1.3
81.07070	0.6
84.04512	0.5
85.02909	0.3
91.05466	0.5
94.04074	0.5
95.04948	0.3
96.09521	0.3
97.02897	0.3
97.06527	2.7
98.97803	0.5
98.98463	4.0
105.07034	0.4
116.98625	0.3
119.03546	1.3
120.08130	0.9
133.06496	0.7
135.22966	0.3
136.06184	100.0
137.04607	1.5
137.06519	0.7
142.22292	0.3
144.60641	0.3
148.07492	0.5
149.05919	0.3
152.05673	8.3
153.04077	1.0
161.06010	0.6
163.03987	0.4
174.07770	1.1
176.07088	0.4
177.05472	0.4
190.08592	0.7
191.41673	0.3
193.08644	0.5
232.11955	0.4
250.12996	95.0
251.13374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0936
Annotation	8,5'-Cda
Peak:m/z	Relative Intensity
55.01879	1.0
55.05524	0.4
56.05050	0.7
56.96595	1.5
57.03465	0.5
57.90983	0.5
67.05513	0.4
69.03462	1.1
69.07091	1.3
70.06626	1.4
70.41261	1.7
72.08181	0.8
72.93815	0.5
80.05043	0.4
80.91158	0.4
82.06606	1.2
83.05008	1.0
84.04536	1.0
84.08165	0.8
85.02929	0.9
86.06098	0.9
86.09711	0.8
87.04456	0.7
94.45405	0.4
95.05029	0.5
96.04553	0.6
97.02892	6.6
97.03415	0.5
97.06571	0.7
98.97775	0.6
98.98466	11.4
110.07162	0.5
116.98660	0.9
116.99571	0.9
120.01266	0.5
121.05128	3.8
122.02760	0.6
123.04441	3.5
128.07127	0.8
130.97183	0.4
134.99718	1.0
136.06187	9.2
144.05557	0.6
148.06181	43.8
149.06992	4.8
150.07782	1.0
156.10188	0.5
159.06659	3.0
162.07759	2.4
169.05083	3.9
174.07794	2.2
174.11334	0.9
174.99246	0.5
175.08565	6.3
176.09317	8.5
177.07755	1.1
179.45894	0.5
186.06085	0.7
186.07753	13.0
187.06206	1.2
188.09200	0.9
188.12856	1.5
202.07280	1.3
204.08801	11.3
206.11913	0.5
214.07220	3.9
226.96342	0.5
232.08299	100.0
233.08650	1.0
244.97478	0.6
250.09344	53.8
250.12915	4.1
251.09689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2214
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03949	6.0
55.01858	2.3
55.05510	17.8
56.96559	2.8
57.07069	6.0
67.05508	50.1
69.03448	2.1
69.07068	13.6
70.86939	1.9
71.04991	8.2
71.08629	2.2
71.60238	3.6
77.03936	2.7
79.05495	77.7
81.07057	52.3
83.08633	3.3
85.06546	5.5
91.05484	39.7
91.06018	3.7
93.07047	100.0
93.07637	5.0
95.04952	13.1
95.08600	35.7
97.06552	2.8
97.10178	3.9
99.08051	2.0
99.82521	2.0
101.68938	2.1
104.99342	2.0
105.07031	38.8
107.04970	2.8
107.08600	48.3
109.06515	3.6
109.10160	18.5
111.08114	2.7
114.40791	1.7
114.95470	2.2
118.39677	1.9
119.01885	1.9
119.08583	27.3
121.06485	2.3
121.10146	49.7
123.08095	2.0
123.11724	6.2
131.04997	1.9
131.08565	3.8
133.10141	23.8
135.11691	48.3
137.13309	4.4
143.08565	2.4
147.08058	3.4
147.11705	13.0
149.13254	24.4
158.61409	2.0
161.13252	11.1
163.14774	4.1
175.14835	6.4
184.45828	2.4
189.16428	4.4
209.29857	2.2
220.05324	2.1
231.17506	2.4
231.21036	2.6
249.11337	2.7
249.14662	4.0
249.18524	4.4
249.22156	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
53.03951	5.3
53.92936	0.8
55.05511	5.3
57.07050	1.5
58.11355	0.9
65.03953	1.3
67.05505	31.0
69.07051	5.6
71.60178	1.7
73.06551	1.6
79.05495	54.9
81.07058	15.5
83.04977	1.2
83.08627	2.1
85.06522	4.1
89.49204	0.8
91.05485	44.2
93.07046	100.0
94.07381	1.0
95.04967	13.3
95.08612	12.1
97.06510	2.1
99.08109	1.8
105.04497	2.8
105.07047	10.7
107.08598	30.3
109.06499	1.7
109.10138	3.5
117.07047	4.2
119.08593	15.6
121.06485	0.9
121.10148	49.2
123.08093	2.2
124.75529	1.1
129.07004	3.2
131.08556	6.4
133.10138	19.3
135.08049	5.1
135.11708	8.7
137.09596	1.5
143.08563	2.3
144.70351	0.9
145.10130	2.9
147.08133	0.9
147.11748	2.3
149.09598	1.8
151.11174	2.8
157.10109	3.7
161.09645	1.4
167.10686	1.0
171.11697	2.3
173.13237	2.2
175.11218	1.5
175.14856	8.7
189.12753	2.1
189.16400	5.8
199.14839	10.8
203.50871	0.8
207.13840	1.0
217.15865	10.4
249.11328	1.8
249.18539	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	249.1849
Annotation	Methyl 3,4-dihydronidorellaurinate
Peak:m/z	Relative Intensity
51.02374	1.2
53.03941	5.2
55.01862	1.7
55.05502	5.3
55.44050	0.8
56.96562	1.3
57.07076	1.1
59.04992	1.9
60.28767	0.8
65.03964	1.1
66.00787	0.8
67.05505	30.5
67.23572	0.7
69.07070	6.9
70.74010	1.7
75.57061	0.7
77.03945	1.0
79.05493	55.8
81.03420	2.0
81.07056	16.5
83.04958	1.4
83.08628	1.9
85.06541	2.3
87.89117	0.9
91.05482	47.6
93.07044	100.0
94.16132	0.7
95.04962	15.4
95.08601	12.6
97.06521	2.4
99.08073	1.4
103.23351	0.8
105.04496	2.5
105.07033	10.7
107.04963	0.9
107.08595	25.2
107.33934	0.8
109.06502	1.7
109.10147	4.0
111.08120	0.8
115.07549	1.2
117.07027	3.6
118.61851	0.8
119.08580	15.9
121.06537	1.5
121.10144	45.8
123.08082	1.7
129.07048	2.6
131.08583	6.0
133.10124	19.3
135.07156	1.1
135.08044	5.3
135.11685	9.2
137.09634	1.9
143.08571	2.4
145.10124	2.3
147.11720	2.1
149.09639	1.7
151.11186	2.6
157.10156	4.8
161.09717	1.1
161.13271	1.1
167.10661	0.9
168.19130	0.8
171.11711	2.9
173.13281	2.5
175.11105	0.9
175.14801	6.5
189.12762	1.8
189.16353	4.8
193.12321	0.8
199.14813	11.7
206.99326	0.8
207.13777	0.9
217.15891	7.1
249.11131	1.8
249.14656	1.1
249.16153	1.5
249.18520	20.7
249.22221	1.7
255.87845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03942	1.9
55.01870	2.0
55.05502	4.2
56.96553	1.4
57.07074	2.3
57.07548	1.0
58.06592	3.9
62.35088	0.7
64.36987	0.8
65.03932	2.3
67.01870	7.2
67.05509	16.1
67.05843	1.7
69.03093	1.1
69.03432	14.3
69.07068	3.5
71.04996	1.3
79.05491	5.0
81.07060	9.8
82.70158	0.9
83.04987	7.5
83.08612	2.4
84.04496	1.1
85.02859	1.0
91.05486	26.6
93.07047	10.8
95.04975	22.1
95.08614	6.6
97.06550	1.1
98.20724	1.7
98.97585	3.7
103.05467	2.1
105.07028	11.6
107.04950	2.4
107.08598	6.4
109.02878	3.4
109.06502	5.9
109.10191	4.0
110.07330	0.9
111.04445	7.5
111.08073	2.1
112.80982	0.9
115.05465	4.6
116.06244	4.9
116.98639	2.0
117.07046	4.5
119.04940	2.1
119.08586	34.5
121.06537	4.0
121.10149	3.6
123.08073	2.0
127.03950	1.0
128.06221	5.8
129.07021	13.0
130.07773	1.2
131.04944	1.7
131.08566	11.8
132.05753	1.8
133.06496	4.4
133.10106	7.8
134.99683	1.1
135.04385	1.0
135.08061	6.6
135.11653	1.6
137.06012	2.5
137.09613	4.9
141.07037	3.3
142.07771	2.3
143.08542	3.4
144.05676	5.3
145.06488	3.7
145.10158	1.6
146.07227	1.9
147.04413	2.5
147.08052	100.0
147.11725	2.6
148.08385	1.5
149.09616	3.3
151.11185	0.9
157.06453	4.3
157.10152	2.4
159.04398	0.9
159.08063	13.8
159.11633	1.2
160.05273	1.1
161.05991	4.7
161.09616	8.6
161.13358	4.1
165.05513	0.9
165.06978	0.8
165.09038	1.4
169.07668	1.3
170.07283	3.8
170.10898	1.6
171.04405	1.1
171.08055	3.8
171.11694	2.9
172.05147	1.1
173.05984	2.5
173.09680	1.2
174.06755	1.3
175.07539	15.2
175.14813	2.5
177.00795	1.2
185.05988	1.1
185.13274	2.6
187.07526	7.1
189.05443	3.1
189.09142	6.5
189.12775	8.5
190.06197	1.4
191.02165	1.4
193.08624	1.3
199.07535	1.3
203.07008	2.4
203.14352	5.1
204.07799	5.4
213.12782	6.9
219.10083	1.1
220.10416	1.1
221.11687	1.3
231.10167	3.6
231.13821	15.2
249.07442	1.7
249.11232	38.6
249.14873	11.2
249.18445	2.4
250.11537	1.5
258.17722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1486
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03942	2.3
55.01867	1.9
55.05516	4.0
56.96559	1.6
57.07055	2.2
58.06580	2.0
65.03940	2.2
67.01869	8.1
67.05172	1.3
67.05507	15.7
67.05860	0.6
68.99783	0.9
69.03432	14.9
69.07056	2.4
69.95191	4.1
71.05004	1.0
79.05499	6.7
81.07050	8.6
83.04978	7.8
83.08603	2.0
85.02915	1.2
85.06497	0.7
87.00831	0.8
91.05482	23.9
93.07040	10.7
95.04971	19.0
95.08607	6.2
97.02873	1.1
97.06524	1.3
98.97578	3.1
103.05456	2.6
105.07018	10.8
107.04942	3.0
107.08596	9.7
109.02890	5.1
109.06502	4.8
109.10152	4.5
111.04448	6.1
111.08072	2.3
115.05445	4.6
116.06249	4.9
116.98611	2.9
117.07023	5.3
119.04919	2.9
119.08582	33.9
120.08943	1.0
121.06495	6.3
121.10143	4.0
122.07321	1.0
123.08074	2.2
125.09647	0.9
128.06241	5.5
129.07002	13.6
131.04921	2.2
131.08557	12.3
132.05701	2.0
133.06477	5.8
133.10149	8.6
134.99675	1.1
135.04453	1.2
135.08040	6.4
135.11650	1.6
137.05969	2.4
137.09615	5.3
138.11057	0.8
141.06972	3.3
142.07819	3.0
143.04918	1.0
143.08565	4.2
144.05682	4.8
145.06482	4.0
145.10120	2.9
146.07248	1.0
147.08049	100.0
147.11726	2.2
148.08331	1.6
149.09624	2.7
150.13539	0.7
151.11241	1.0
153.07001	1.5
156.09334	0.9
157.06479	4.1
157.10109	1.4
158.07309	1.0
158.99657	0.8
159.08067	11.9
159.11659	1.4
160.05159	0.9
161.05975	3.5
161.09641	7.1
161.13339	4.0
165.06960	0.9
165.09109	1.7
167.07091	1.0
170.07306	3.3
170.10916	1.4
171.08052	2.4
171.11690	3.1
172.05191	1.9
173.06007	2.3
173.09731	0.8
174.06741	1.5
175.07550	16.7
175.14822	3.6
177.00722	2.2
177.05550	0.8
185.13225	3.4
187.07555	8.5
189.05481	1.7
189.09119	6.6
189.12740	8.4
190.06314	1.0
191.02211	1.4
191.07060	1.5
193.08606	1.1
195.11642	0.9
198.06631	1.1
198.10500	0.8
199.07649	1.1
201.05423	0.9
203.07065	2.3
203.14308	5.6
204.07794	6.2
213.12769	6.9
216.07793	1.4
217.08517	0.9
219.10150	0.8
220.10417	1.1
221.08083	1.3
221.11713	1.8
231.10289	3.9
231.13779	14.2
249.11241	39.5
249.14832	8.8
249.18494	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90229	1.3
54.93297	1.4
55.01866	1.8
55.05509	2.8
56.96571	8.2
57.03433	1.5
57.07081	1.6
67.05485	3.0
69.03413	6.2
69.07061	1.6
69.43800	14.5
70.06593	1.7
72.04516	18.0
72.08160	1.6
73.02896	1.9
74.06086	1.6
79.05487	3.6
81.00847	1.4
81.03397	3.9
81.07034	2.7
84.08147	3.3
85.02924	8.9
86.09679	1.7
87.00822	1.8
91.05469	4.6
93.07053	2.5
95.04948	2.0
95.08559	1.4
97.02913	7.1
97.06529	3.0
98.97592	8.2
100.03997	2.0
100.14062	1.4
103.05481	2.4
105.07038	8.1
109.02894	2.4
111.04439	4.4
115.05456	7.4
116.98643	10.1
117.05742	4.0
117.07011	3.8
118.04230	3.1
118.05031	24.2
118.06537	38.2
119.01879	1.8
119.05003	1.8
119.08592	2.5
120.08098	2.0
123.04433	1.6
127.03910	2.7
128.98630	1.7
130.06587	2.4
131.04921	3.0
132.08092	89.3
133.06512	11.9
133.08464	2.0
133.10118	2.7
134.99638	10.0
135.04395	2.2
135.49075	1.6
136.06187	32.5
139.03873	6.6
142.06532	3.3
143.00183	1.9
143.04938	4.7
143.07272	3.9
144.08061	22.5
146.06009	83.9
146.99666	2.3
147.04399	4.4
147.11598	1.8
151.03885	2.2
155.02864	2.5
158.99651	3.5
160.05278	1.7
160.07594	2.1
161.01270	2.7
161.05980	4.8
161.09625	1.9
163.03961	2.7
170.05995	4.7
171.04445	1.8
171.06561	3.0
173.05994	2.0
175.03862	1.6
175.07570	4.4
177.00714	4.2
177.05487	2.7
179.06946	1.6
188.07068	100.0
189.00734	2.0
189.05466	4.6
189.07300	1.6
189.09065	1.5
201.00687	2.2
203.07045	5.4
203.11835	3.4
207.13861	2.7
217.04947	2.5
219.01776	2.9
231.11224	1.4
249.07578	10.4
249.12440	19.0
249.14804	3.7
249.18356	1.9
250.12941	19.2
259.84985	1.3
267.03888	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
50.90408	0.3
53.03921	0.4
55.01863	0.6
55.05493	0.5
57.03428	0.7
58.71494	0.3
64.25828	0.3
65.03928	0.4
67.05491	1.3
69.03429	3.3
71.04977	0.6
71.60769	0.4
71.61118	0.3
79.05485	1.2
81.03401	1.3
81.07043	0.4
83.04975	0.4
85.02911	2.4
85.06517	0.3
87.00805	0.7
91.05475	7.6
93.07027	0.5
95.04955	0.4
95.08610	0.4
97.02901	2.0
97.06556	0.4
99.04446	1.0
103.03961	0.3
103.05459	1.4
105.01891	0.5
105.07021	3.6
107.04954	2.0
107.08549	0.5
108.02274	0.3
109.02853	1.1
109.06454	0.4
115.05447	5.7
116.06227	3.8
117.07000	2.5
118.07822	0.6
119.04947	0.9
119.08578	1.2
120.02589	0.3
121.06472	0.8
127.03900	2.0
127.05408	0.4
128.06224	9.3
129.07005	19.1
130.07751	1.0
131.04921	2.2
131.08565	18.1
132.05724	1.1
133.06505	3.2
133.10153	1.9
135.04424	0.5
135.08029	0.3
139.05447	0.4
141.06984	9.8
142.07797	3.9
143.04918	1.2
143.08556	3.6
144.05707	9.0
145.04855	0.3
145.05324	0.5
145.06485	6.3
145.07605	0.3
145.10143	0.4
146.03668	0.4
146.06116	0.4
146.07256	3.4
147.04404	1.3
147.08052	1.4
149.05956	0.3
152.06184	0.6
153.05656	0.3
153.06955	1.7
155.06041	1.3
156.05714	2.2
157.06485	9.0
158.07317	2.5
159.04471	0.6
159.08055	30.0
160.05185	1.6
160.08649	0.5
161.05991	4.4
161.09612	6.4
161.13353	0.3
167.04947	0.3
167.07031	1.1
169.06427	1.7
169.07719	2.7
170.07257	7.8
171.04388	0.7
171.08040	6.5
171.09494	0.3
172.05183	3.4
173.05989	4.2
174.06728	2.4
175.03934	0.5
175.07552	3.2
176.04588	0.3
177.05470	0.6
178.06282	0.7
181.06355	0.3
184.05139	0.5
185.05923	1.1
186.06758	0.9
187.07539	17.9
188.04659	0.4
188.08252	1.1
189.05473	3.8
189.09090	9.1
189.12775	0.3
190.06256	1.0
191.07013	1.0
191.10760	0.4
192.07764	0.7
193.08559	1.0
198.06676	1.8
199.07549	2.9
201.05464	1.5
201.23268	0.3
203.07040	5.6
203.14308	0.4
204.07813	12.6
205.08614	1.9
206.09357	1.1
206.68929	0.3
207.10146	0.5
215.06998	0.4
216.07811	4.0
217.05125	0.3
217.08495	0.9
218.09390	1.5
219.06627	0.7
219.10211	1.7
221.08136	1.5
221.11674	3.3
231.10135	6.6
231.13744	0.5
234.08832	0.8
249.11218	100.0
250.11525	1.2
260.76120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01869	0.5
55.05507	0.4
56.96562	0.7
57.03458	0.4
57.24270	0.3
67.05491	0.9
69.03407	0.9
69.07060	0.4
70.64835	0.3
71.15687	0.8
77.03918	0.4
79.05489	1.1
79.58297	0.3
81.07047	1.1
85.02889	0.4
89.88551	0.4
91.05484	7.8
93.07036	1.5
95.04952	0.7
95.08614	0.5
97.02888	0.7
98.97565	0.8
103.05460	1.3
105.07028	3.2
107.04943	2.2
107.08595	1.3
109.10151	0.6
115.05447	5.2
116.06244	3.2
116.98591	0.9
117.07027	3.1
118.04187	0.4
118.07800	0.5
119.04945	0.7
119.08562	0.9
121.06522	1.1
121.10113	0.6
128.06232	9.4
128.07153	0.3
129.07011	18.2
130.04170	0.4
130.07790	0.6
131.00150	0.6
131.04910	1.8
131.08569	16.2
132.05707	0.9
133.06502	2.9
133.10135	1.9
141.07004	9.1
142.07793	3.8
143.04961	0.9
143.08560	3.8
144.05714	8.8
145.06496	7.0
146.07263	3.9
147.04401	1.4
147.07976	0.8
152.06230	1.4
153.06978	2.4
155.06032	1.5
156.05728	2.3
157.05223	0.6
157.06491	10.2
158.07214	2.2
159.08061	27.5
160.05209	1.3
161.05974	3.5
161.09628	7.3
163.07487	0.5
167.04932	0.4
167.07057	1.2
169.06458	1.5
169.07748	2.1
170.07278	7.3
171.04402	0.7
171.08049	5.2
171.09344	0.6
172.05174	3.0
173.05975	3.6
174.06816	2.4
175.07509	2.9
177.00734	0.5
178.06230	1.0
183.04373	0.4
184.05202	0.6
185.05962	1.1
186.06786	0.7
187.07550	17.5
188.08252	1.2
189.05493	3.5
189.09143	8.7
189.12605	0.5
190.06261	1.8
191.07021	1.6
192.07866	0.5
193.08595	0.5
198.06795	2.5
199.07549	3.0
201.05486	1.5
203.07043	6.4
204.07820	11.1
205.08617	2.1
206.09366	0.9
216.07831	3.3
217.08543	0.9
218.09354	1.5
219.06569	0.5
219.10162	1.9
221.08130	1.1
221.11691	3.1
231.10167	6.6
234.08907	0.9
244.99825	0.5
249.11229	100.0
250.11620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01872	0.8
56.96556	0.4
57.03436	0.7
67.05487	1.0
69.03438	1.8
69.07052	0.4
71.15970	0.5
71.16314	0.7
74.37840	0.4
79.05479	0.9
81.03430	0.7
81.07050	0.7
82.06669	0.4
85.02889	1.5
87.00850	0.4
91.05483	7.2
93.07036	0.5
95.04958	1.1
95.31537	0.4
97.02882	1.0
103.05469	1.4
105.07029	3.2
107.04954	2.1
107.08568	0.5
109.02890	0.5
115.05456	5.6
116.06244	3.8
117.07013	3.9
119.04910	0.6
119.08588	0.6
121.06486	0.9
121.10143	0.4
123.04476	0.4
123.08064	0.4
127.03929	0.7
127.05453	0.5
128.06224	9.5
129.07011	20.6
130.07794	1.0
131.04926	2.1
131.08566	16.7
131.16142	0.4
132.05695	1.0
133.06490	2.7
133.10124	1.4
137.06029	0.5
141.06987	8.5
142.07776	4.2
143.04919	0.6
143.08585	3.7
144.05716	8.7
145.06487	6.5
145.07530	0.7
145.10135	1.4
146.03554	0.5
146.07269	3.5
147.04408	1.4
147.08035	1.0
152.06235	0.9
153.05537	0.4
153.06993	1.7
155.04883	0.6
155.06053	1.1
156.05721	1.8
157.06499	10.0
157.10086	1.3
158.07277	2.2
159.04443	0.7
159.08058	28.2
160.05202	0.9
160.08667	0.5
161.05989	4.2
161.09634	5.7
167.07051	0.9
169.06425	1.5
169.07657	1.7
170.07257	7.5
171.04382	0.8
171.08040	6.3
171.11673	0.4
172.05177	3.9
173.05994	4.1
174.06754	2.3
175.07527	3.3
177.05521	0.4
178.06256	1.1
184.05200	0.6
185.05991	1.2
186.06793	0.5
187.07550	18.7
188.08247	1.0
189.05513	3.6
189.09105	8.4
189.12759	0.6
190.06233	1.6
191.07016	1.6
193.08623	0.8
198.06805	1.9
199.07516	2.9
201.05469	1.7
203.07047	6.2
204.07848	13.0
205.08553	1.7
206.09384	0.6
216.07848	3.9
217.08588	1.1
218.09383	1.2
219.10184	1.9
219.13783	0.5
221.08102	0.8
221.11674	3.0
231.10162	6.4
231.13806	0.8
234.08958	0.7
249.11229	100.0
250.11575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
55.05504	1.5
56.96572	0.6
57.03421	0.5
59.05001	1.5
67.05500	0.7
69.03423	0.6
69.07065	9.0
69.66260	2.6
72.81834	0.3
73.06555	4.3
79.05483	0.6
80.04978	0.4
81.07064	0.6
85.02907	0.5
91.05481	1.3
92.04987	0.4
93.05772	0.5
93.07034	0.9
97.02892	0.4
97.06546	0.5
102.04647	0.3
105.07030	1.4
106.06564	0.4
107.04937	0.5
107.08564	0.8
109.06533	0.4
115.05449	1.4
116.98621	0.4
117.07012	2.4
118.06535	10.8
118.07369	0.7
119.07328	12.1
119.08598	0.6
126.26959	0.3
127.03931	0.6
128.06248	0.6
129.07002	2.0
129.91908	0.4
129.96848	0.3
131.04904	0.3
131.08574	1.3
132.08054	0.7
134.09648	100.0
135.09993	1.3
137.09584	0.4
141.06982	0.4
143.05658	0.4
143.26311	0.3
143.54477	0.3
144.05717	0.4
145.06416	0.6
147.11700	0.5
148.11211	0.5
157.06442	0.5
159.08043	2.0
161.05891	0.4
161.09634	0.6
166.76570	0.3
170.07275	0.5
171.08032	0.6
173.05980	0.5
174.12741	0.4
175.07518	0.3
176.14395	0.4
187.07545	1.2
189.05431	0.5
189.09106	0.4
192.10228	0.5
203.07031	0.7
204.07755	0.5
204.17339	0.5
204.21613	0.3
204.45630	0.4
206.18886	0.5
209.75781	0.3
231.10239	0.5
248.16458	98.2
249.11224	6.2
249.16821	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38070	14.4
66.37951	12.7
69.52990	20.6
69.53397	89.1
70.06571	15.1
88.54385	13.6
93.51082	13.5
94.93008	32.2
104.86188	13.0
116.07083	17.3
162.12880	16.8
172.81993	14.9
187.95227	13.5
249.03816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1646
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
66.93972	0.2
67.05489	0.3
70.28541	0.7
78.74466	0.2
82.94022	0.1
91.05470	0.3
91.23375	0.2
98.20795	0.2
105.06970	0.3
105.77568	0.2
117.05733	0.3
117.93240	0.2
118.06538	5.3
119.18772	0.2
120.08104	0.2
129.06934	0.2
130.06529	0.2
131.07271	0.3
131.08543	0.4
132.08080	2.9
133.08847	0.6
134.09660	0.4
144.08098	0.6
146.09639	2.0
147.10516	0.2
158.09709	0.2
160.11217	0.7
172.11284	0.2
174.12773	0.9
176.14340	13.8
190.08623	13.3
191.09319	0.3
202.15903	2.6
203.16571	1.2
204.10196	6.7
205.10963	1.9
206.11729	0.3
218.11748	5.3
219.12483	0.3
220.13358	0.2
232.13301	0.4
235.15718	0.2
248.16446	100.0
249.11273	0.3
249.16786	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60984	1.9
53.03939	4.0
55.05512	15.1
57.03423	2.5
57.07067	4.7
65.03931	2.3
67.05504	44.4
69.07063	13.5
69.11850	2.1
71.05001	2.3
71.60643	3.1
73.94479	1.8
79.05493	78.1
81.07055	37.3
83.08601	3.7
85.06556	2.3
91.05480	51.0
93.07042	100.0
95.04978	12.9
95.08608	32.8
97.06509	4.3
98.98442	3.7
100.30724	1.8
103.05487	2.6
104.99236	5.7
105.07037	33.9
107.07867	3.0
107.08590	48.8
109.06496	4.1
109.10139	11.1
111.08092	2.2
117.07011	13.7
119.08572	23.8
121.06545	2.6
121.10153	37.9
123.08073	2.8
123.11724	4.8
131.08575	23.3
133.10123	16.0
135.11691	49.9
144.10559	2.0
145.10115	17.4
146.74750	2.2
147.11723	15.3
149.09560	2.6
149.13257	14.7
159.11723	11.5
161.13254	7.2
163.14807	2.9
171.11668	2.9
173.02133	2.5
173.13280	9.7
174.29091	2.0
187.14807	8.7
201.16241	3.3
229.19481	11.4
232.12497	2.5
247.16878	11.5
247.20586	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	248.1642
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
50.38960	1.2
53.03927	1.6
55.05500	5.5
56.05016	2.3
56.96546	2.5
57.07063	2.0
58.06610	1.3
59.04992	1.9
65.91671	1.2
67.05493	4.4
67.79965	1.1
69.03440	2.2
69.07069	10.4
70.06568	3.6
70.17868	4.1
71.04980	6.6
72.08149	10.6
73.06554	2.0
73.08477	3.5
74.06066	2.0
76.59789	1.2
79.05490	5.2
81.03425	1.9
81.07065	3.6
82.06578	1.6
83.04959	4.9
84.04462	2.3
84.08145	2.8
85.02911	2.0
85.06539	2.1
86.09702	71.4
86.17984	1.1
87.10051	2.3
89.06042	7.2
91.05477	28.0
93.07037	7.4
94.06582	1.6
95.04967	3.7
95.08595	6.1
96.08116	2.8
97.06547	2.2
99.04466	6.6
103.05448	2.4
105.07026	33.7
106.06613	1.4
107.04944	2.0
107.08586	9.0
108.04465	3.3
108.08107	1.8
109.06505	8.8
110.06002	1.3
112.07588	2.7
115.05437	1.5
116.07068	10.0
116.51123	1.2
116.98580	1.8
117.07011	4.6
118.15176	1.1
119.08574	38.6
121.06458	2.2
121.10156	7.8
122.09672	2.3
123.08083	8.5
123.11704	1.2
124.07629	2.3
128.06216	2.1
129.07019	3.3
131.07460	1.3
131.08557	6.3
132.08107	1.5
132.09302	1.8
132.10168	9.1
133.06474	4.4
133.10158	3.2
134.99651	1.1
135.08066	2.2
135.11617	1.4
136.07581	1.5
136.11206	2.7
137.09624	2.4
142.07692	1.4
143.08568	2.9
145.10085	7.1
146.09673	4.2
147.08060	4.0
147.11681	58.1
148.11234	1.6
149.01245	1.3
149.09616	4.9
150.09123	1.9
151.07565	4.1
152.07053	2.1
156.09297	1.6
158.09612	1.7
159.08058	2.8
159.11745	1.6
160.11220	1.9
161.09669	1.8
161.13251	2.9
162.12810	4.1
163.11211	4.8
164.10722	6.9
164.14363	2.1
165.12758	3.1
171.11710	4.5
172.11208	2.1
176.14354	2.5
177.14723	6.8
178.04994	3.4
184.13315	8.9
186.12782	2.1
188.14415	4.1
189.12704	9.6
190.12346	2.6
192.10170	4.5
202.12497	1.5
202.14348	18.1
202.16000	1.7
203.02193	1.7
204.13828	5.4
206.15401	10.1
207.13797	17.7
224.35786	1.3
230.11794	2.5
230.15620	9.1
245.03276	1.4
248.06468	2.2
248.09367	4.8
248.16499	100.0
249.07520	2.5
249.11095	5.7
249.16794	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03933	4.6
55.05519	3.8
56.96567	2.4
57.07054	1.5
57.41251	1.6
60.04521	2.5
65.03928	4.0
67.05486	5.0
69.03429	20.5
70.01569	10.0
79.05480	6.4
81.07046	7.4
83.04981	20.3
88.04020	1.7
91.05484	18.6
93.03411	3.4
93.07042	10.7
95.04944	6.8
97.02877	7.2
102.05532	13.9
105.07045	13.1
106.44151	1.5
107.04968	2.6
107.08578	17.8
109.02896	13.4
109.06519	9.5
109.10141	3.1
111.04436	4.8
115.05421	4.3
117.07026	9.1
119.08588	17.3
121.02833	3.5
121.06501	16.6
121.10141	7.5
123.08051	2.9
125.09660	2.5
128.06218	3.1
128.07111	2.0
129.06981	6.2
130.07828	2.0
131.08586	18.4
132.05670	2.5
133.10146	9.1
135.08054	28.8
137.05977	4.0
137.09567	3.6
139.03920	2.3
141.06998	4.7
142.07765	2.2
143.08540	11.2
144.09364	9.8
145.06470	15.0
145.10153	11.1
147.08037	4.3
149.05908	2.5
149.09625	22.1
150.10327	2.8
151.11188	3.6
153.06972	2.8
154.07846	2.3
155.08536	5.6
157.06465	2.2
157.10153	3.4
158.07227	3.7
158.10913	11.0
159.08029	12.1
159.11711	27.3
160.08835	4.6
161.09578	3.6
163.07550	18.5
163.11197	2.2
168.09352	2.5
169.10112	4.9
170.10905	5.3
171.08054	5.6
172.08841	15.2
173.05997	2.3
173.09637	24.0
173.13246	34.0
175.07564	2.3
175.11337	2.3
176.14322	2.0
183.11694	9.8
185.09521	2.3
185.13197	2.5
186.10384	24.4
187.11185	100.0
188.11665	2.9
191.07030	37.7
193.10098	1.9
195.08054	2.3
196.08737	4.9
201.10843	2.6
201.12737	53.7
205.12209	6.5
211.11156	12.4
214.09901	4.4
219.13857	3.0
229.12216	53.9
237.63295	3.7
247.05850	2.3
247.10771	3.8
247.13303	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1329
Annotation	[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03925	3.7
55.01857	4.7
55.05507	16.1
56.96553	2.3
57.03422	3.4
60.08149	3.3
60.66160	1.4
65.03916	5.1
67.05183	1.7
67.05505	25.1
68.99778	1.7
69.03092	2.3
69.03431	34.5
69.07059	6.8
69.55145	1.1
70.55433	1.2
70.85492	4.5
71.04976	4.1
72.08140	4.2
79.05495	19.2
81.03407	2.9
81.07060	12.4
83.04982	32.0
85.02893	4.7
85.06535	3.9
86.09717	2.0
91.05483	32.8
93.07040	25.2
93.64447	1.4
95.04373	2.8
95.04968	45.3
95.08606	14.7
97.02869	4.4
97.06531	13.4
99.04472	2.2
103.05457	5.1
105.07031	65.6
107.04926	5.4
107.08598	23.7
108.05715	1.6
109.02867	2.4
109.06516	24.6
109.10129	5.0
111.04447	13.9
111.08035	3.3
113.05938	2.6
115.05457	6.5
116.06236	1.8
117.07024	13.9
117.46632	1.3
118.06454	1.5
119.08586	46.9
120.08092	5.1
121.02873	12.6
121.06507	24.6
121.10141	10.2
123.04420	5.4
123.07207	2.3
123.08073	37.4
125.02368	1.7
125.05930	2.7
128.06235	7.9
128.14456	1.2
129.07005	13.0
130.07756	5.9
130.08630	1.8
131.04936	2.5
131.08566	32.0
133.06500	12.5
133.10133	19.3
135.04309	2.0
135.08058	20.7
135.11775	1.5
137.05942	6.1
137.09644	7.4
139.07585	1.7
141.07002	9.5
142.06790	1.5
142.07784	17.4
143.08565	18.0
144.05655	3.4
144.09331	9.2
145.06465	11.7
145.10144	27.5
146.06100	3.0
146.07242	4.6
147.06953	2.2
147.08041	23.6
147.11696	7.6
148.08809	3.6
149.05928	4.7
149.09593	9.1
151.07576	7.0
153.01823	27.1
153.07013	6.5
154.07739	1.8
155.08543	10.6
156.09326	17.6
157.06407	3.1
157.10127	25.4
158.07275	10.6
158.10873	5.0
159.08069	24.8
159.11694	27.0
160.08817	5.5
161.05930	3.0
161.09615	23.9
163.03848	1.9
163.07550	4.5
163.11148	2.8
165.06975	1.9
165.09102	22.1
165.61362	1.5
166.07719	2.0
167.03337	1.6
167.08580	3.2
168.09317	7.5
169.10040	4.6
170.07196	1.7
171.08076	8.5
171.11693	15.5
172.08794	11.8
173.05984	3.4
173.09654	16.4
173.13268	20.0
174.06676	3.5
175.07568	7.7
175.11188	16.7
177.08978	2.0
177.12770	1.5
181.06453	3.8
181.10089	2.6
183.08092	1.8
183.11696	15.1
184.08835	3.7
185.09625	8.1
185.13191	2.4
186.10358	4.4
186.14931	2.0
187.07504	5.2
187.11179	24.8
188.06941	3.4
189.09113	23.0
189.12672	3.2
191.10634	2.5
191.14230	1.8
193.10066	4.6
196.08826	10.7
199.11205	38.7
200.11639	1.7
201.01010	1.7
201.05394	3.3
201.09129	1.9
201.12749	33.6
203.10645	13.2
205.12199	4.2
211.11169	19.0
212.11421	1.9
214.09866	2.4
217.12233	26.5
219.13730	10.0
229.05031	3.4
229.12210	33.8
247.06117	16.6
247.13272	100.0
248.13518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55893	0.8
54.19842	1.0
64.60011	0.8
71.39168	1.2
72.08138	3.0
93.25478	0.7
110.82240	0.8
124.98547	1.2
132.66815	0.8
148.06049	1.0
167.03192	1.7
169.01103	1.1
187.02237	0.9
229.03201	30.6
247.04268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.133
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
53.03939	2.6
54.45012	1.5
55.01866	2.7
55.05502	6.2
57.07060	2.6
59.04994	1.4
60.66478	1.6
64.81921	1.3
65.03939	3.5
67.01842	1.5
67.05495	4.7
68.99773	1.8
69.03429	17.2
69.07060	3.3
71.14930	2.1
71.15266	2.4
72.08159	1.5
79.05494	9.0
81.07060	13.4
83.04980	19.0
85.02921	1.8
91.05479	16.6
93.03393	6.3
93.07050	17.0
93.90545	1.5
95.04954	6.0
95.08589	5.9
97.02908	10.0
105.07043	14.1
107.04932	2.6
107.08598	15.6
109.02894	9.3
109.06532	11.9
109.10139	4.4
111.04427	5.3
115.05434	4.1
117.07017	9.3
119.08576	17.1
121.02846	3.2
121.06502	16.9
121.10130	7.5
123.08039	3.1
123.11745	1.7
128.06224	3.3
129.06993	8.5
130.07811	3.0
131.04915	1.8
131.08586	17.0
132.05707	2.1
133.06467	2.1
133.10156	11.0
135.08067	28.6
135.11652	2.5
137.05943	5.4
137.09604	3.8
139.03900	2.0
139.35973	1.5
141.06992	3.4
142.07742	2.4
143.08586	10.3
144.05775	1.7
144.09303	6.3
145.06503	14.6
145.10126	15.0
147.08025	4.9
147.11699	2.4
148.49976	1.5
149.06064	2.6
149.09625	22.9
150.10393	3.2
151.11176	3.6
153.07053	3.0
153.09119	1.9
155.08533	5.6
157.10118	4.4
158.07292	2.8
158.10893	9.6
159.08060	12.9
159.11691	24.1
160.08813	4.2
160.42961	1.4
161.09616	5.6
163.07533	19.6
163.11224	4.1
165.09085	2.0
168.09270	3.8
169.10077	2.5
170.10939	3.9
171.08054	5.9
172.08853	20.9
173.05942	2.4
173.09650	29.7
173.13257	28.7
175.07466	3.2
175.11252	1.5
181.06497	2.3
183.11732	9.6
185.09676	1.5
185.13257	3.1
186.10396	19.7
187.07576	4.0
187.11189	100.0
188.11656	2.6
189.09048	2.8
191.07043	40.4
193.10152	2.2
196.08809	6.6
199.07430	1.7
201.12752	55.7
202.13254	1.9
203.14273	1.9
205.12231	5.6
211.11319	9.8
214.09801	4.6
219.13773	5.2
229.12234	63.4
229.15727	2.6
247.06123	3.1
247.09410	3.1
247.13297	77.4
247.16853	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	246.1817
Annotation	Valyllysine
Peak:m/z	Relative Intensity
56.05042	0.9
56.96557	0.9
57.05822	0.7
58.06601	33.2
59.07381	5.1
60.07880	0.5
60.08168	6.9
67.33514	0.4
67.78645	0.4
70.06602	2.1
70.94423	0.8
70.94775	0.6
72.04523	0.6
72.08163	0.6
81.07061	0.5
82.06576	4.2
84.08146	11.9
85.05284	4.0
85.06558	0.4
85.38744	0.4
86.02439	0.5
98.09711	2.9
99.09203	0.5
100.07619	100.0
101.07949	0.6
104.70728	0.4
110.06038	0.7
111.95769	0.4
115.12291	0.4
117.10258	61.6
118.07877	0.7
118.08659	8.2
124.07632	0.9
127.08691	1.7
127.69333	0.4
128.07086	2.5
152.07088	0.9
158.01245	0.5
169.09706	3.2
170.08124	1.5
174.99162	0.9
183.14935	0.5
187.10777	1.5
201.16063	0.6
204.01733	0.5
217.46596	0.4
223.01262	0.5
228.17078	1.3
228.97945	0.4
229.15356	0.7
246.18130	96.9
247.18535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.9
56.96557	0.9
57.05822	0.7
58.06601	33.2
59.07381	5.1
60.07880	0.5
60.08168	6.9
67.33514	0.4
67.78645	0.4
70.06602	2.1
70.94423	0.8
70.94775	0.6
72.04523	0.6
72.08163	0.6
81.07061	0.5
82.06576	4.2
84.08146	11.9
85.05284	4.0
85.06558	0.4
85.38744	0.4
86.02439	0.5
98.09711	2.9
99.09203	0.5
100.07619	100.0
101.07949	0.6
104.70728	0.4
110.06038	0.7
111.95769	0.4
115.12291	0.4
117.10258	61.6
118.07877	0.7
118.08659	8.2
124.07632	0.9
127.08691	1.7
127.69333	0.4
128.07086	2.5
152.07088	0.9
158.01245	0.5
169.09706	3.2
170.08124	1.5
174.99162	0.9
183.14935	0.5
187.10777	1.5
201.16063	0.6
204.01733	0.5
217.46596	0.4
223.01262	0.5
228.17078	1.3
228.97945	0.4
229.15356	0.7
246.18130	96.9
247.18535	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
56.96541	0.6
58.04082	4.3
59.04862	0.7
60.05650	0.6
65.86852	0.4
69.04549	4.5
69.80903	2.0
70.06581	2.3
72.04508	2.8
72.08146	0.7
73.02908	2.8
76.05116	2.3
76.95776	0.4
81.07061	2.2
85.07668	0.5
85.14644	0.4
86.06050	0.7
86.07179	0.6
86.09686	0.8
87.07977	2.8
88.03992	6.8
88.07625	1.1
91.05510	0.6
96.05614	6.7
98.20833	0.6
106.52194	0.4
109.59649	0.4
110.07143	1.3
111.18898	0.4
111.55457	0.4
114.06652	34.9
114.09153	1.1
115.07435	14.5
128.08197	13.9
130.06113	7.2
138.10262	0.4
140.11821	1.6
142.08665	4.3
147.06375	0.7
148.07158	7.0
156.11346	4.0
160.09688	8.3
173.11630	1.2
174.12279	0.6
204.12297	0.6
228.13425	17.0
246.14487	100.0
247.14700	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52203	0.4
51.55817	0.4
55.01867	0.7
55.05498	0.6
56.05035	13.3
56.96554	1.4
60.04527	2.5
61.04055	4.7
62.93964	0.4
67.05499	0.6
69.03428	5.6
69.07072	4.8
70.02954	1.9
70.06566	1.2
71.02478	1.5
72.04517	27.3
72.08153	0.5
73.02901	1.0
74.02432	5.6
74.06067	1.7
79.05489	0.9
80.05798	0.6
81.04516	0.5
81.05791	0.9
81.07041	0.9
84.04512	2.7
84.05638	0.7
84.08122	1.7
85.02903	1.7
85.04012	1.5
86.06048	0.6
86.09229	0.6
86.09707	9.3
87.04476	2.1
87.05593	6.6
88.03999	1.0
89.03492	1.9
89.04769	0.5
90.05550	1.3
95.04987	0.6
96.04468	0.7
96.08131	2.0
97.06527	1.0
97.07796	0.4
97.08453	2.0
98.02421	1.5
98.06068	0.7
99.05604	2.5
100.03977	0.9
100.07612	0.5
102.05533	2.4
110.02399	6.4
113.10754	5.0
114.06649	22.9
115.05071	0.9
116.07077	1.8
117.06614	1.9
118.05032	1.1
120.06590	2.0
120.08075	1.2
124.03934	1.4
124.07593	9.8
125.07930	12.4
127.05076	1.0
128.03421	1.2
128.07103	0.7
129.06580	0.8
130.04988	1.1
130.08627	1.6
132.10175	1.9
141.10220	7.4
143.11784	3.1
145.06094	0.7
150.01779	0.6
155.11789	0.9
156.04834	0.8
156.13716	0.8
157.05116	1.3
158.08131	12.4
158.09402	0.8
160.07178	24.0
163.03934	0.6
166.08638	8.2
169.09697	0.7
170.11736	0.5
173.10851	0.5
174.03934	2.6
182.09261	2.0
182.11751	1.3
183.11298	0.8
187.10765	5.2
188.09178	0.6
200.07256	0.9
200.10561	3.7
200.14157	2.6
202.10732	0.9
203.10291	1.1
211.07188	0.9
211.10771	0.7
212.09154	9.7
212.11070	0.7
228.09804	2.2
229.11870	3.5
229.65010	0.6
246.10863	100.0
247.11215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81344	1.8
55.05504	9.8
55.73751	1.6
57.07064	7.0
67.05493	11.2
69.06793	1.6
69.07069	19.8
69.62403	11.9
79.05470	5.4
81.07057	25.3
83.08612	7.6
91.05469	6.0
93.07046	15.8
95.08607	32.3
97.10154	4.0
105.06400	2.3
105.07034	19.3
107.08582	25.3
109.10158	23.0
114.96353	1.8
119.08595	24.2
121.10146	19.9
123.11739	13.7
130.87473	1.9
133.10117	16.9
135.11684	19.1
137.13258	5.7
147.11682	14.3
149.13271	14.8
161.13261	11.8
163.14813	21.1
175.14836	25.2
187.14905	2.9
189.16394	20.7
203.17993	10.5
245.22656	100.0
246.23065	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
55.05502	0.4
55.56464	0.2
56.60077	0.3
56.96568	0.3
61.63698	0.2
62.14727	0.2
67.05485	0.3
69.03436	0.5
69.04546	0.3
69.07053	0.7
69.33701	2.5
70.06602	0.3
80.05019	0.4
81.07047	0.3
83.04975	0.7
84.08145	0.6
85.02894	0.3
86.09702	100.0
87.07966	0.3
87.10027	0.4
88.03996	0.4
90.69727	0.2
93.07035	0.4
98.97592	0.5
105.07033	0.4
107.08617	0.3
114.06618	1.6
115.07417	0.7
116.98595	0.3
128.08199	0.7
130.06105	0.3
132.10194	3.5
134.99718	0.3
142.03210	1.6
148.07182	0.4
156.11371	0.4
157.06425	0.3
160.09708	0.3
161.06129	0.3
170.02747	0.4
185.09668	0.3
199.18048	1.2
228.13461	0.6
245.04495	2.0
245.07954	0.5
245.13072	0.3
245.18616	3.7
246.07658	0.5
246.14536	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	245.1859
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
51.96840	0.2
56.05016	0.4
56.96564	2.0
57.05808	0.4
58.06616	0.3
60.47598	0.3
67.57996	0.3
69.03425	0.6
69.07065	10.5
71.42726	0.4
72.08108	0.3
80.05009	0.8
81.07062	0.3
83.04982	0.3
84.08139	0.4
86.09702	100.0
87.10033	0.4
91.05481	1.4
93.07044	0.8
95.04965	0.5
95.08540	0.3
97.02916	0.4
98.97558	1.6
99.00829	0.3
105.07050	0.5
107.04967	0.4
114.03777	0.6
114.06671	0.7
115.05457	0.3
116.98621	1.9
119.08609	0.4
121.06555	0.5
128.06210	0.3
132.10211	1.9
134.99648	2.0
142.03212	3.3
146.06049	0.4
146.84425	0.3
149.05998	0.3
153.00652	0.5
158.06038	0.3
158.99733	0.3
159.03412	0.3
159.08081	0.3
159.99934	0.3
161.06010	0.4
167.03453	0.3
170.02669	0.6
171.03290	0.9
177.05527	0.5
183.09224	0.6
189.04280	1.8
199.08806	0.5
199.18103	0.6
227.07024	0.5
245.01868	0.5
245.04437	7.0
245.08157	0.9
245.09785	0.3
245.13489	0.4
245.18564	3.1
246.14534	1.0
261.90201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51928	0.2
53.03932	0.4
55.05509	1.8
56.05036	1.4
56.96560	0.9
67.05502	0.4
68.05012	0.7
69.03429	0.8
69.07066	0.6
70.06597	1.0
70.74628	0.5
70.74995	0.5
71.04983	0.4
72.04520	2.9
72.08159	0.5
74.02441	0.3
74.06097	0.3
76.02222	1.1
79.05500	4.9
80.05013	0.9
81.03399	0.3
81.05804	4.2
81.07058	4.8
82.02944	0.3
82.06601	0.6
83.04972	0.4
84.04520	2.5
84.08135	0.8
85.02935	0.6
86.06070	0.3
86.09696	1.1
94.06580	2.1
95.04971	0.5
96.04498	1.3
96.08133	17.6
97.02853	0.4
97.06557	0.3
97.08450	0.3
98.97582	0.4
100.07635	0.5
101.06064	0.3
102.05564	0.4
105.07053	0.3
106.06555	2.3
107.04965	0.4
110.02406	0.2
110.09716	0.4
111.02657	0.4
111.05567	0.2
113.10769	0.3
114.05549	1.0
114.06644	1.9
116.98634	0.7
122.02743	1.0
122.06079	0.5
123.04448	0.3
124.07594	100.0
125.07925	1.1
128.06241	0.3
130.05023	2.5
131.08575	0.3
134.99678	0.6
138.09161	0.5
141.10181	0.4
142.04980	0.9
153.03664	0.4
155.11824	0.4
156.04784	11.2
158.08144	0.9
160.07176	1.9
174.69580	0.3
181.08179	0.3
182.06358	0.4
184.09686	2.1
185.09605	0.3
199.07460	0.4
199.09024	8.0
201.12347	2.7
212.09171	0.4
227.14056	0.3
228.06827	1.2
245.04446	3.8
245.09608	7.1
245.11470	0.4
245.14874	1.4
246.10884	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	245.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74734	4.4
52.87491	4.6
55.05505	7.0
56.96562	56.0
57.03433	6.7
58.06579	5.4
60.10824	4.9
68.05025	6.6
69.03432	6.4
70.06589	65.9
70.86178	8.6
70.86504	6.7
70.99877	4.0
71.95278	6.7
72.08158	66.8
73.02897	5.5
73.08484	9.2
84.04505	36.3
84.08142	27.2
85.02914	16.1
86.06077	21.2
86.09715	5.3
87.16673	5.1
97.02907	11.9
98.06055	4.6
98.09668	6.4
98.97584	29.6
100.07615	11.3
101.00903	24.4
104.10727	11.5
110.09673	6.4
112.05125	5.0
114.05504	11.6
116.07091	30.2
116.98620	25.2
119.01927	100.0
124.07581	31.5
125.07042	6.8
130.05000	18.7
130.08690	6.9
131.01913	17.7
134.99672	26.0
137.02968	23.0
138.09155	10.7
140.10686	6.8
142.03426	5.7
142.04970	7.0
142.12273	6.2
143.01915	19.3
145.03474	28.6
149.01222	15.7
155.01895	21.1
157.03508	14.9
158.08153	8.7
160.97589	12.4
161.02966	25.4
167.02151	16.3
169.03397	6.4
171.05013	10.0
173.02913	36.3
175.04613	5.1
178.93387	9.0
179.01923	6.4
184.09680	18.3
185.02934	75.5
187.04518	11.2
188.97079	21.7
193.00227	7.4
197.02945	31.6
197.04594	6.7
199.04225	4.5
199.08989	23.5
201.12370	19.1
202.98558	10.9
203.03983	27.1
206.98125	21.5
213.05827	5.2
215.03973	15.0
220.99724	8.1
221.05127	14.2
225.13084	4.6
228.08626	10.6
244.16678	10.5
245.04710	67.4
245.09392	33.9
245.11604	12.5
245.14722	25.8
248.99245	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0809
Annotation	2,6-Dihydroxy-4-methoxybenzophenone
Peak:m/z	Relative Intensity
50.28483	0.7
50.29795	0.6
53.03944	8.8
55.01861	2.4
55.05498	2.8
56.96551	1.2
61.60788	0.7
65.03938	5.4
67.05494	2.6
69.03429	1.8
69.07071	2.2
71.04993	1.7
78.07899	0.7
79.05495	2.5
81.03416	16.5
81.07059	3.6
83.01343	1.3
83.04990	3.2
85.02917	1.0
85.06528	1.2
86.09699	1.3
91.05481	100.0
93.07048	2.6
94.06547	1.3
95.04943	1.9
95.08599	2.5
97.02911	2.2
97.06538	1.0
97.10171	1.4
98.97567	1.7
101.27366	0.8
103.05492	1.7
105.03420	1.6
105.07039	3.5
107.08605	3.2
109.02888	1.7
109.06495	1.4
109.10204	1.1
115.05439	3.6
116.98632	1.8
117.06987	1.5
119.08604	2.5
121.02884	4.0
121.06508	0.8
121.10142	1.7
122.06020	3.5
123.11735	0.8
124.07596	2.7
128.06204	1.7
129.06970	1.8
131.04929	1.4
131.08583	2.1
133.02831	2.5
133.06464	1.5
133.10135	1.7
134.99654	0.9
135.04500	0.9
142.03235	2.7
143.08562	1.7
145.06461	1.0
145.10155	3.5
147.04468	1.7
147.11665	1.4
149.02330	7.8
149.06007	0.9
149.13260	1.4
156.09355	1.3
157.06503	1.6
157.10144	1.8
159.04408	2.5
159.11624	0.9
161.02286	3.7
161.06026	1.8
161.09631	0.9
163.03938	2.6
163.54529	0.7
167.03406	58.4
171.04474	3.2
171.11699	1.0
175.03964	0.9
177.02016	1.2
185.05936	1.1
185.09691	0.8
187.02437	0.7
187.03876	4.0
187.07558	0.9
189.05476	3.9
199.03929	2.3
199.07620	1.1
199.11264	1.4
212.04668	1.1
217.04895	3.6
227.03452	1.6
227.06978	5.2
227.10692	1.9
245.04512	20.0
245.08156	39.0
245.11594	3.9
245.15533	3.4
245.19121	1.8
245.22745	2.6
263.05560	2.4
263.14014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42036	0.8
51.85183	0.8
55.05495	1.0
56.96569	4.9
57.03426	0.8
65.03930	0.8
68.05025	1.2
69.03438	1.2
70.06584	2.2
71.51310	1.8
72.08150	1.5
73.02954	0.8
74.02436	5.9
82.84260	0.7
84.08142	3.2
85.02898	2.7
86.09703	0.9
91.05482	1.1
97.02929	1.3
97.06529	1.5
98.97593	2.8
116.98622	2.9
117.05761	14.7
122.06049	1.4
129.07027	4.6
130.06529	39.2
131.07336	6.6
134.99635	2.5
138.09192	0.8
140.07057	1.9
141.05722	1.4
143.05612	1.8
143.07312	12.6
144.08090	14.0
148.07616	1.5
149.01263	1.2
154.05342	1.6
154.06522	18.1
155.06018	9.2
156.06795	1.4
156.08081	22.7
157.07600	21.4
158.06036	9.7
158.08356	6.6
160.07213	1.9
166.06409	1.5
167.07278	1.1
168.06696	1.6
169.05235	5.8
169.07545	4.8
171.04303	1.0
171.09166	25.8
173.13318	1.1
177.00697	1.8
181.07602	22.0
182.06004	4.7
182.08339	4.0
183.09172	10.6
185.07109	65.4
186.07500	1.7
198.10287	27.0
199.08723	1.9
200.07097	2.5
202.07091	0.8
209.07100	12.4
226.10878	1.2
227.08157	100.0
228.08443	1.7
244.10800	20.8
244.13083	2.1
245.09317	2.1
260.04529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50761	0.4
52.22593	0.6
53.03955	1.0
53.42991	0.5
55.05510	6.3
57.03397	0.7
57.07066	1.6
65.03912	0.6
67.05504	21.4
69.07067	5.4
70.85376	0.5
70.85705	1.2
71.04972	0.5
71.08633	0.7
73.41291	0.5
79.05060	1.0
79.05495	11.7
81.07059	21.9
83.08625	3.1
85.06532	0.6
88.08644	0.5
91.05482	22.2
93.06473	0.9
93.07043	13.8
95.05000	0.9
95.08604	15.6
97.10157	1.3
105.07034	18.9
107.08593	9.0
109.10152	11.5
117.07014	10.2
119.08582	19.0
121.10141	15.0
123.11707	4.6
129.07007	1.3
130.07774	0.9
131.08566	26.4
133.10132	17.4
135.11674	10.1
143.08548	1.3
145.10126	23.8
147.11681	17.5
149.13266	4.6
151.11208	0.6
157.10092	0.7
159.11697	16.1
161.13255	24.9
163.14803	2.0
171.11670	1.5
173.13266	22.2
175.14847	4.9
177.16348	0.6
185.13269	1.0
186.14069	0.6
187.13196	1.2
187.14821	14.3
201.16380	5.8
215.17979	3.6
243.21085	100.0
244.21512	2.5
249.42163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.9
60.05922	0.2
60.95842	0.2
67.57808	0.2
67.63492	0.1
70.24468	0.6
71.95286	0.2
76.02377	0.1
76.87811	0.2
84.08200	0.2
89.95008	0.2
91.81148	0.2
98.97575	2.0
98.98119	0.2
99.97929	0.7
100.97982	0.2
101.00892	1.0
101.97173	0.2
102.01003	0.5
102.96907	0.4
103.00674	0.2
105.68398	0.2
112.13687	0.2
116.98634	2.7
117.98959	0.8
118.98283	0.2
118.99094	0.2
119.01917	8.3
119.98232	0.4
120.02005	5.5
120.97910	0.8
121.01670	0.8
134.99684	3.2
135.56166	0.2
136.00020	1.5
137.02951	3.7
137.99268	0.2
138.03053	2.8
138.98958	0.5
139.02644	0.2
141.98967	0.2
142.03508	0.5
153.00780	0.8
154.00998	0.9
158.99876	0.2
159.99960	1.0
160.99640	0.2
166.99734	0.3
176.03053	0.2
177.00954	7.3
178.01048	23.4
179.00705	3.6
179.90730	0.2
180.01341	0.2
184.00031	0.4
188.74860	0.2
194.04146	0.5
195.01991	0.2
196.02092	0.7
197.01718	0.2
200.02640	0.3
201.00919	0.3
201.02623	0.3
202.01003	1.3
203.00632	0.3
215.95657	0.3
218.04094	3.7
219.02005	4.8
219.03850	0.6
220.02118	25.6
221.01770	6.5
226.00990	1.6
227.00795	0.2
229.48854	0.2
232.00842	0.2
233.96695	0.3
235.00232	0.2
236.99539	0.2
238.03145	0.3
238.98785	0.2
243.03667	0.5
244.02045	5.6
244.98218	0.2
245.01697	0.8
250.99106	0.2
256.96585	1.0
261.02988	0.5
262.03189	100.0
262.99344	0.7
263.02853	11.0
264.03513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9672
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24594	2.3
54.23601	1.9
55.79117	2.0
60.08167	2.4
70.25034	7.0
70.25435	3.5
92.03256	2.4
94.93013	19.8
104.10768	4.1
149.43364	2.4
164.93518	5.0
176.33655	2.3
176.93520	100.0
224.95706	7.9
240.16626	2.2
242.96677	35.0
243.17030	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	243.02
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.5
69.96604	0.4
71.95262	0.3
79.10453	0.1
82.18404	0.1
82.99470	0.1
82.99921	0.3
84.96043	0.2
90.75683	0.1
98.97581	5.1
99.97890	0.1
100.97175	0.1
100.98011	0.1
101.00886	1.1
116.98618	7.7
117.98965	0.2
118.03509	0.1
119.01920	13.3
119.68126	0.1
120.02016	0.3
120.60878	0.1
122.97839	0.2
130.93307	0.3
134.01228	0.1
134.99664	11.5
135.99985	0.4
136.99229	0.4
137.00131	0.2
137.02956	7.0
138.03120	0.1
140.00211	0.2
140.98851	0.3
142.03479	0.4
153.00748	3.2
154.00987	0.1
158.01346	0.4
158.02850	0.1
158.99852	1.2
159.99910	0.1
161.02892	0.1
165.99611	0.2
172.94353	0.1
175.02983	0.4
176.02455	0.2
177.00951	28.7
178.01059	1.4
179.01291	0.2
182.99760	0.5
190.00467	0.1
190.95410	0.6
193.04025	0.7
193.98744	0.1
194.98499	0.1
195.02025	0.8
200.02579	0.5
201.00879	1.3
201.02411	0.1
201.07283	0.1
202.01065	0.2
208.96429	0.4
209.98581	0.1
214.95248	0.1
215.01874	0.1
216.96979	0.2
217.04079	3.4
218.03575	0.6
219.02003	32.5
220.02127	3.2
221.01825	0.5
223.99997	0.1
225.00842	2.2
227.99498	0.2
232.96547	0.3
234.97908	0.1
235.99800	0.2
236.99477	0.2
237.03033	0.2
237.98906	0.1
240.05560	0.1
242.03621	0.7
242.98293	0.2
243.01944	6.8
244.02129	0.3
260.04517	0.2
261.03052	100.0
262.03177	3.5
263.03510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28249	7.6
55.05512	8.5
57.03429	20.3
57.07072	11.6
67.05504	56.4
71.04979	11.5
71.60555	9.7
79.05501	15.7
81.07061	100.0
83.04935	8.4
88.07642	17.5
89.07954	7.2
91.05495	18.7
93.07045	12.6
95.08598	14.0
105.07022	17.0
107.08617	12.5
109.06483	7.1
112.79922	6.7
113.87514	6.6
117.06970	8.4
119.08558	13.5
123.11705	19.2
129.07018	9.5
133.10104	15.8
141.06989	8.7
151.11205	8.9
157.10143	13.3
159.10219	6.6
173.09798	7.1
183.11720	9.0
187.13301	10.9
195.10381	8.0
240.34326	6.9
243.06450	21.2
243.15720	23.2
243.17839	10.8
243.21199	9.0
243.25092	11.2
243.28775	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
57.03437	8.5
58.06593	17.9
59.06924	8.3
61.02933	6.3
62.75672	3.4
70.65128	6.4
71.01350	8.5
71.05003	3.9
81.74400	3.4
83.06084	6.6
83.11729	3.2
84.08142	7.1
85.02892	4.4
87.04470	5.3
97.17252	3.1
101.02373	16.6
107.68468	3.4
110.98328	4.2
115.03929	24.1
129.01794	7.7
143.03412	9.4
157.01323	27.4
161.04379	8.2
189.03935	49.5
242.15797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
57.03437	8.5
58.06593	17.9
59.06924	8.3
61.02933	6.3
62.75672	3.4
70.65128	6.4
71.01350	8.5
71.05003	3.9
81.74400	3.4
83.06084	6.6
83.11729	3.2
84.08142	7.1
85.02892	4.4
87.04470	5.3
97.17252	3.1
101.02373	16.6
107.68468	3.4
110.98328	4.2
115.03929	24.1
129.01794	7.7
143.03412	9.4
157.01323	27.4
161.04379	8.2
189.03935	49.5
242.15797	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.4
55.05509	2.5
56.96564	8.8
57.03440	12.0
58.24150	1.4
67.05506	4.3
69.03418	2.6
69.07069	85.5
69.97437	2.4
69.97839	3.7
70.06596	13.8
71.05013	1.7
77.33308	1.2
79.05466	1.3
80.05004	1.3
81.03437	2.4
81.07043	2.9
82.25864	1.3
83.04995	1.5
83.06102	2.5
84.04520	1.8
84.08157	4.5
85.02911	2.2
85.04021	1.5
86.09708	4.1
87.04488	1.5
88.03991	1.9
88.59045	1.1
91.05486	2.5
93.03711	3.6
95.04968	9.6
96.04475	1.6
97.02906	1.3
97.06532	8.3
98.97593	3.3
109.49114	1.3
110.07133	1.4
112.07600	17.9
116.98634	5.7
123.04416	5.5
123.05199	1.4
124.07540	1.6
126.05536	1.6
128.98679	1.5
129.05463	2.1
129.10229	2.2
134.99672	2.8
135.04420	1.6
140.07063	85.5
141.05455	2.9
141.10172	2.1
144.08232	1.4
149.01315	1.8
154.05016	3.6
158.99725	1.6
163.03860	2.1
168.06558	100.0
174.97662	1.3
177.00742	1.6
178.08542	1.3
196.09676	1.7
199.87410	1.4
210.99199	1.7
219.01834	1.5
224.09193	2.1
225.16042	3.7
237.02789	2.3
242.10188	38.8
242.13887	1.7
242.15445	2.4
242.18695	4.1
243.21463	1.3
255.01662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31745	0.7
53.03934	2.6
55.01865	0.8
55.05518	3.5
56.02650	0.9
56.96558	1.0
57.07077	1.7
58.06298	0.7
59.05005	0.7
67.05505	25.3
69.07069	6.7
69.46475	6.1
71.04993	100.0
71.24677	0.7
79.05493	13.6
81.07056	33.7
83.04991	2.3
83.08625	2.3
85.06545	6.4
86.25491	0.8
91.05486	9.5
93.03714	4.7
93.07041	23.2
95.04990	3.8
95.08609	19.8
97.06521	4.5
97.10177	1.2
98.97574	1.0
99.08101	2.2
105.07028	4.7
107.08597	9.7
109.06519	1.2
109.10181	3.1
111.08085	2.9
115.07607	0.9
116.98633	1.7
117.07035	7.1
119.08570	1.3
121.06583	1.4
121.10172	3.0
127.07535	1.3
129.07008	0.8
131.08563	7.5
133.10124	6.2
134.99658	1.7
135.08086	1.6
135.11691	17.1
145.10138	1.2
149.09560	1.0
149.13252	11.2
151.11272	0.8
157.10153	0.9
159.11682	18.5
171.11711	1.0
172.71370	0.7
177.12727	9.0
185.13271	0.8
209.15355	3.7
241.08673	0.9
241.12228	1.1
241.16039	0.8
241.19624	3.1
241.21770	1.0
259.00165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32547	0.3
56.96556	0.4
58.06592	2.6
59.07368	0.4
59.19014	0.4
60.08163	4.2
70.06600	1.0
70.26962	1.4
70.27314	0.5
84.08155	1.1
94.06551	1.3
98.21455	0.5
98.97566	0.5
104.10745	100.0
105.11041	0.5
116.07111	0.4
119.01887	0.4
137.02962	0.4
138.05508	1.7
152.07076	0.5
157.05080	0.4
196.09651	0.5
200.28516	0.3
202.30246	0.4
241.05684	0.5
241.15497	8.7
241.21725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
56.05031	0.2
58.06601	20.7
60.08142	0.5
61.08487	0.2
69.07066	0.3
70.06593	3.3
70.84203	0.3
70.84540	0.6
71.05003	0.4
72.08143	0.6
75.55843	0.2
78.54385	0.2
81.03415	0.5
83.04989	0.2
84.08144	11.1
85.06551	0.4
98.06055	0.6
98.09704	1.5
100.11215	0.5
114.05550	0.5
116.07098	0.3
124.07639	0.3
126.05537	0.6
126.09140	0.3
128.10721	4.2
142.39073	0.2
144.10181	1.4
149.15666	0.3
158.08148	0.3
168.10194	1.1
179.09222	0.6
196.09680	5.5
213.15932	0.7
241.15471	100.0
242.15814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31980	0.2
54.46214	0.2
54.98640	0.6
56.96566	22.9
57.07068	0.2
57.97335	0.3
67.05502	0.3
71.34058	0.5
71.95266	3.4
86.87465	0.2
91.71879	0.2
93.03729	0.5
98.97585	80.1
99.97929	0.3
105.37299	0.2
106.92403	0.2
116.98623	100.0
117.98948	0.3
118.99082	0.2
119.01890	0.5
134.01250	0.2
134.99660	90.8
136.00037	0.4
137.00114	0.3
137.03021	0.3
140.00194	1.4
153.00714	17.4
154.51143	0.2
158.01268	2.7
162.25830	0.2
174.97537	0.3
176.02335	0.5
177.00938	1.5
192.98715	0.7
209.21645	0.2
212.00496	0.2
216.98708	0.9
217.98711	0.2
219.01965	2.2
220.02129	0.7
234.99783	2.0
236.00075	0.3
240.98633	3.3
241.00719	0.2
258.99765	31.6
259.99857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01863	4.8
55.02119	1.2
55.05511	11.5
56.96540	2.5
57.03413	2.8
57.07063	2.6
61.24966	1.3
65.03928	1.7
66.32867	1.1
67.05508	15.2
69.03436	1.5
69.07063	9.7
70.13921	6.0
70.33725	1.2
71.04973	4.0
73.02902	1.8
75.02666	2.3
79.01453	1.1
79.05491	19.1
81.03410	2.7
81.07058	19.8
83.04983	3.3
83.08630	8.2
85.06546	2.7
91.05482	6.5
93.03746	6.8
93.07041	32.1
95.04979	7.6
95.08607	39.0
97.02869	2.9
97.06541	4.9
99.04459	3.1
105.07037	7.9
107.04969	8.9
107.08590	22.3
109.06482	2.7
109.10158	3.6
116.98653	1.9
117.07014	8.6
119.08571	8.9
121.06483	5.1
121.10150	14.3
125.05984	4.5
129.07011	2.5
129.56725	1.4
130.07756	1.6
131.08557	2.5
133.10124	2.1
134.99654	1.4
135.08044	2.4
135.10680	2.4
135.11685	39.2
143.08553	2.9
145.09048	2.0
145.10121	27.6
159.11720	1.9
162.79245	1.1
163.11185	61.5
171.11665	1.6
173.09602	1.6
173.13287	1.3
181.12236	14.5
185.13284	2.7
199.14738	1.3
209.11821	2.1
223.14720	1.6
227.12776	100.0
228.13182	2.1
241.12221	1.6
241.15970	2.7
241.19540	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	240.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74913	0.2
55.05499	0.6
56.05025	0.3
67.05492	0.4
69.07050	0.7
70.06583	0.5
72.04493	1.0
74.06070	0.5
79.05472	0.8
81.07072	1.6
82.06577	0.3
91.05497	0.4
93.07032	0.8
95.08630	1.5
96.08111	0.7
100.07630	0.5
107.08577	0.8
108.08081	0.8
109.08870	0.5
110.09698	0.4
112.07584	0.4
122.09640	1.0
123.10428	0.3
124.07584	4.4
126.09146	0.6
128.10725	0.7
135.11682	1.0
136.11209	2.3
137.13246	0.4
138.09145	1.1
139.09901	1.1
140.10724	0.5
142.12282	1.5
150.12752	1.3
151.13559	0.9
152.10747	1.6
153.11456	0.8
154.12248	1.8
166.12271	4.8
167.13057	2.3
168.13831	1.3
177.68468	0.3
178.15894	0.4
194.15414	2.0
196.16962	100.0
197.17255	2.1
198.18530	2.0
229.80515	0.3
232.39145	0.3
240.19576	46.7
241.19919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75394	1.1
53.03947	2.5
55.01868	2.7
55.05511	14.5
55.45612	1.2
57.03434	6.5
57.07064	4.9
59.05001	2.0
59.20918	1.1
62.06088	51.3
65.03931	2.0
67.05504	69.8
69.03404	3.6
69.07063	10.7
70.05206	3.6
70.05616	2.8
71.04977	4.7
71.69296	1.1
72.04509	2.3
79.05489	25.9
81.03397	2.8
81.07055	42.9
83.04980	4.5
83.08591	3.1
89.38957	1.1
89.42341	1.3
91.05474	17.8
93.06476	1.9
93.07040	33.5
95.04977	10.8
95.08604	100.0
96.08905	2.4
102.51691	1.2
103.63976	1.2
105.07032	19.6
107.08588	21.4
109.06506	6.7
109.10153	55.2
111.08038	1.4
111.48221	1.2
117.07004	2.7
119.08569	29.7
121.10117	8.0
123.08077	7.5
123.11684	2.1
133.10158	7.8
135.11684	10.2
137.09604	12.6
142.12268	4.5
142.77769	1.3
149.13245	5.4
151.14818	22.8
161.13249	9.4
170.11751	4.8
179.14326	12.8
197.05977	2.0
211.08347	1.2
222.18504	3.0
240.19580	84.5
241.08672	3.0
241.19637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01869	0.7
55.05510	4.3
56.05034	0.4
56.96547	0.9
57.03435	2.7
57.07062	0.9
58.06603	0.4
67.05178	0.6
67.05505	7.1
69.07067	2.6
69.35451	1.0
69.35876	2.2
70.06584	1.4
71.04988	0.3
72.04495	0.3
79.05492	4.4
81.03389	0.4
81.07056	8.0
82.06567	0.9
83.04967	1.3
83.08594	1.3
84.08133	0.9
85.05275	1.7
85.06515	0.5
86.06042	1.0
91.05498	2.4
93.07035	4.3
94.06572	0.5
95.04951	0.8
95.08600	2.6
96.08112	1.3
97.06474	0.3
97.10185	0.4
98.06046	5.6
98.09647	0.4
100.07645	0.3
105.07038	2.4
107.08587	1.3
108.08084	0.7
109.10145	0.5
110.09676	0.8
112.07600	1.1
112.11244	4.9
117.07024	0.9
119.08569	0.6
120.08118	0.5
121.10127	0.8
122.09692	0.7
124.11224	0.5
131.08557	1.8
133.10112	1.3
134.09639	0.6
135.11699	0.8
138.12755	1.2
140.10672	0.7
148.11206	2.0
159.11720	1.5
174.12761	1.4
176.14333	1.7
182.15393	0.4
192.17455	0.6
210.18520	5.2
220.16890	0.8
238.18015	100.0
239.08888	1.0
239.18239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1799
Annotation	Piroctone
Peak:m/z	Relative Intensity
53.03932	1.0
55.01858	2.2
55.05508	4.9
56.05023	1.2
56.96545	1.6
57.03426	2.4
57.07064	1.1
57.93054	0.7
60.04507	1.0
61.78971	0.7
62.06091	5.3
67.05502	6.8
69.03406	0.9
69.07068	5.6
69.42938	5.7
70.02944	1.2
70.06606	1.3
71.84917	0.6
72.04496	2.1
74.06071	2.3
77.03883	0.7
79.05495	6.7
81.07052	11.4
82.06578	2.0
83.04977	1.3
83.08598	1.2
85.05255	1.6
86.06049	2.7
86.60400	0.6
87.91254	0.6
91.05477	6.1
93.07042	45.4
94.06564	1.0
95.04939	1.4
95.07323	0.7
95.08602	6.1
96.08102	2.0
97.06526	4.2
97.41897	0.6
98.06045	3.7
98.09693	0.8
104.59605	0.7
105.07009	2.2
107.08605	10.6
108.08112	2.7
109.10115	2.1
110.09666	1.6
112.07622	1.2
113.69310	0.7
117.06989	1.1
119.08540	1.2
120.08076	1.4
121.10118	1.4
122.09664	1.9
124.07587	1.5
126.09187	1.0
131.08516	0.8
133.10161	1.0
134.09662	1.2
135.11687	27.0
136.11214	2.1
138.09122	1.9
139.09816	1.0
140.10709	1.9
142.12241	1.4
148.11194	1.4
149.13197	4.7
150.12753	1.2
152.10677	1.3
152.14348	1.3
154.12241	1.2
159.11697	1.1
164.14326	1.5
168.10202	1.0
176.10674	1.0
176.14371	1.3
177.12744	2.8
178.15881	1.3
196.16962	36.9
197.17340	0.8
210.18568	2.4
220.16951	14.9
238.18010	100.0
239.08882	0.8
239.18326	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1848
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
50.85534	3.0
52.22486	2.6
53.03936	4.4
54.34021	2.8
55.01870	5.7
55.05503	28.2
56.96555	11.1
57.03418	9.9
57.07058	8.1
59.04972	3.7
65.03945	4.1
67.05503	23.4
69.03431	35.4
69.07066	23.0
69.43136	16.0
69.43562	11.1
71.04992	68.2
73.06530	4.8
79.05120	2.8
79.05493	28.5
81.03413	5.2
81.07057	83.3
83.04967	18.1
83.08592	6.9
85.02894	5.8
85.06533	9.3
91.05474	22.7
93.07034	43.4
95.04995	18.3
95.08609	26.8
97.06522	12.1
97.10145	4.8
98.47284	3.0
98.97585	10.8
99.08079	25.3
105.07028	42.4
107.04939	3.5
107.08589	48.0
109.06528	29.7
109.10159	37.8
111.08089	4.8
116.98612	10.8
117.06993	6.9
119.08604	21.3
121.06483	5.6
121.10134	35.9
121.17601	3.4
123.08044	10.6
123.11733	28.4
125.09602	12.4
127.07539	9.6
127.11185	62.2
131.04831	3.5
131.08565	10.8
133.10123	62.5
134.99617	4.5
135.08020	7.9
135.11681	15.5
137.09604	8.7
139.11148	12.4
143.10686	14.8
145.06516	3.3
145.10117	28.7
146.99686	3.7
147.11670	13.1
149.09610	4.1
149.13243	6.4
151.11183	100.0
155.10684	25.5
156.07985	6.5
156.09291	2.8
158.99614	5.6
159.11659	18.0
161.13187	4.3
163.07524	5.6
163.11130	6.5
165.12720	3.5
169.12230	5.0
177.00679	7.1
177.12730	4.8
179.07175	3.6
179.71956	2.8
191.07019	11.1
191.17828	3.6
201.16350	11.9
219.09929	7.4
219.17366	19.1
228.09950	3.2
237.07491	7.2
237.10899	9.2
237.14775	6.0
237.18530	24.8
237.22116	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	237.1849
Annotation	[R-(R*,S*)]-6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
Peak:m/z	Relative Intensity
53.03956	1.0
55.05519	7.6
56.41331	0.8
56.96555	1.5
57.03423	0.8
57.07072	2.7
61.58174	0.8
63.43913	0.8
67.05508	36.9
68.42889	0.8
69.07079	6.6
71.04993	2.0
71.39406	0.8
76.27477	0.9
79.05495	14.8
81.07060	100.0
82.07412	1.6
83.04982	3.3
83.08623	4.3
83.58351	0.8
85.02879	0.9
91.05487	3.5
93.07064	10.9
95.04984	2.0
95.08610	65.0
97.06570	1.0
97.10194	1.1
98.20747	2.0
105.07061	2.7
107.08611	7.0
109.06557	1.1
109.10164	24.7
111.04451	1.6
117.07019	1.9
119.08589	2.4
121.10149	7.7
123.08068	1.3
123.11694	6.7
125.09658	1.2
131.08545	2.0
133.10133	2.3
135.08038	1.6
135.11739	5.6
137.09634	2.0
137.13269	1.6
145.10146	4.4
149.09612	1.6
149.13306	1.2
159.11711	2.3
163.11235	2.0
167.08424	0.9
167.10603	1.4
181.12263	1.8
191.10699	1.8
191.17953	1.2
201.16412	3.3
209.11678	2.0
209.87012	1.0
219.17493	3.0
237.14844	3.1
237.18495	16.4
237.21971	4.1
253.78651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03934	4.8
55.01870	4.6
55.05518	20.9
56.96556	9.1
57.03432	7.3
57.07074	12.5
59.04992	2.5
67.05513	26.3
69.03435	29.1
69.07077	25.6
71.04994	70.6
71.08614	2.5
71.60931	3.4
73.06551	3.6
79.05490	29.8
81.07059	86.8
83.04971	14.4
83.08607	15.9
85.06558	12.2
91.05479	20.9
93.07055	48.8
95.04974	16.0
95.08611	38.4
97.06551	17.9
97.10165	7.6
98.97585	2.7
99.08096	23.5
103.05513	3.5
105.07034	45.5
105.78944	2.7
107.04964	5.5
107.08601	40.3
109.06527	40.7
109.10158	39.7
111.08085	7.1
117.07016	7.6
119.08578	15.9
121.06474	3.4
121.10130	20.5
121.67874	2.7
123.08076	9.7
123.11703	28.4
125.09615	12.7
127.07571	8.1
127.11201	87.8
127.12144	5.7
131.08540	11.2
133.10133	43.1
135.08051	7.3
135.11700	12.5
137.09593	5.6
137.13316	2.7
139.11205	9.0
143.10670	11.6
145.10139	30.1
147.11684	11.9
149.02332	5.9
149.13277	8.3
151.11195	100.0
155.10667	34.4
159.08014	2.8
159.11700	14.2
161.13289	6.5
163.07518	3.2
163.11244	5.4
163.14767	3.5
165.06868	3.6
173.13292	3.9
177.09174	4.8
177.12750	5.8
177.16457	3.1
181.10022	2.3
191.07130	2.9
193.04930	6.8
193.10265	2.7
195.11697	7.1
200.97525	2.5
201.12793	2.9
201.16357	9.9
203.52263	2.3
207.11908	3.3
219.09991	3.8
219.13829	4.1
219.17491	11.6
219.20970	3.8
237.07581	9.7
237.12897	3.4
237.14778	8.0
237.16898	3.6
237.18611	22.7
237.22124	19.2
258.93048	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1849
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03949	7.1
55.01868	5.0
55.05511	22.1
56.96545	7.6
57.03428	7.4
57.07063	11.9
59.04992	7.7
60.95857	3.0
65.03940	5.1
67.05235	2.8
67.05508	35.9
69.03445	15.8
69.07081	25.9
69.78103	12.9
69.78512	7.1
71.04999	42.4
71.08622	3.2
73.06563	4.5
79.05499	29.3
80.17210	2.9
81.03406	7.1
81.07059	100.0
82.55458	2.6
83.04987	19.3
83.08625	8.8
85.02903	4.0
85.06532	9.5
91.05482	44.5
93.07051	77.1
95.04972	24.6
95.08050	4.9
95.08613	54.9
97.02890	5.6
97.06521	15.6
97.10158	6.7
98.97595	18.9
99.04419	4.3
99.08089	23.6
102.96901	15.8
103.05496	6.0
105.07034	79.1
105.15472	2.8
107.04931	5.1
107.08595	59.9
109.06519	23.4
109.10157	43.9
111.08076	8.2
113.06007	3.5
113.09632	3.3
115.05431	5.8
116.98627	13.2
117.07012	11.6
119.08575	31.1
120.08129	3.8
120.97904	10.1
121.06483	10.4
121.10155	37.7
123.08069	9.9
123.11715	28.5
125.09635	12.7
127.07554	8.4
127.11208	19.9
128.13228	2.9
129.07008	5.2
131.04967	4.0
131.08574	20.9
133.10139	97.7
134.99651	7.7
135.08040	12.4
135.11685	20.1
137.06085	3.4
137.09636	13.6
138.98888	6.9
139.11185	7.6
143.08562	3.9
143.10628	5.0
144.05754	3.5
145.06476	4.4
145.10143	21.2
147.11682	15.3
149.09625	7.8
149.13303	13.8
151.11198	64.7
153.12730	3.0
155.10658	6.3
158.99643	4.1
159.07951	7.1
159.11685	17.1
161.13264	9.6
162.98924	6.9
163.07542	8.6
163.11166	8.6
173.13266	14.6
175.14798	3.5
177.00742	9.1
177.05481	7.1
177.09038	4.7
177.12784	8.1
180.99983	10.9
181.12306	3.1
187.07498	4.6
191.07002	11.1
191.14288	6.1
191.17914	8.2
194.07164	3.2
201.16371	19.3
205.04749	3.1
216.08235	3.3
218.41699	2.7
219.06566	7.6
219.10138	8.8
219.13866	4.5
219.17464	49.2
225.08739	8.3
237.07407	5.8
237.09317	4.9
237.11168	7.3
237.14822	9.6
237.18527	68.4
237.22134	9.6
238.17963	4.6
246.11066	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	237.087
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
51.57157	0.4
55.05510	0.7
57.07079	0.5
67.05490	0.5
68.05012	0.7
69.07062	0.6
70.62454	1.5
74.02438	2.8
75.03213	0.9
79.05480	0.8
80.04994	0.7
81.07056	0.6
83.04995	0.7
86.56411	0.5
91.05475	1.5
93.07045	0.6
94.06585	2.5
95.08610	0.8
97.06559	0.6
99.00822	0.5
103.05424	0.6
104.04990	0.7
105.07070	0.4
108.04530	0.4
108.08145	0.5
109.10188	0.6
110.06034	1.8
117.05738	0.6
118.06558	6.5
119.07345	0.5
120.04470	1.8
120.08099	2.9
122.05989	0.7
128.04971	6.0
130.06534	10.1
130.81552	0.4
131.04901	0.5
131.07315	1.0
132.04465	1.9
133.05261	1.5
134.06020	0.4
136.07588	4.6
145.05350	0.5
145.07567	1.0
146.06010	100.0
147.06357	1.2
148.03934	12.6
148.07460	0.6
150.05499	1.3
152.07037	0.5
157.07617	8.2
158.05989	1.3
159.09167	1.9
162.05611	0.5
163.03893	1.0
163.05983	0.6
163.08688	0.9
164.07092	1.7
166.08672	1.4
173.07114	3.5
174.05510	13.1
174.07800	0.9
175.08745	0.5
177.05367	0.6
178.05014	1.6
191.08174	18.6
192.06593	2.3
202.05011	1.8
203.08147	7.4
204.08846	0.5
219.07603	0.9
220.06050	3.3
220.08287	1.0
237.08743	7.2
237.22157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
55.05502	0.4
56.96550	0.5
57.07056	0.3
58.06598	0.2
61.80722	0.2
67.05518	0.3
67.05846	0.2
69.03455	0.2
69.07056	0.5
69.62022	1.1
70.06588	0.3
71.04980	0.2
72.08167	0.2
74.02441	5.6
79.05478	0.3
81.03413	0.4
81.07061	0.4
83.04968	0.3
83.08581	0.2
84.08127	0.3
85.02888	0.3
86.09698	0.3
91.05472	0.6
93.07029	0.4
94.06571	0.3
95.08613	0.3
97.02817	0.2
97.06494	0.3
98.97578	0.3
103.05453	0.2
103.69526	0.2
105.07003	0.2
107.04932	0.2
107.08603	0.2
116.98612	0.3
117.05788	0.2
118.06544	1.7
120.08099	0.3
121.10134	0.3
128.04961	3.9
130.06502	0.6
131.04956	0.2
132.04436	0.4
133.02811	0.2
135.04399	0.4
137.61922	0.1
146.06003	100.0
147.06351	1.8
148.03918	0.7
149.05997	0.2
155.45016	0.2
157.07565	0.3
158.05981	0.4
163.03867	0.4
166.52290	0.2
173.07121	0.3
174.05531	0.4
186.69507	0.2
191.08182	0.8
210.11237	0.6
219.07697	0.7
220.62991	0.2
237.08759	2.5
237.22165	0.5
238.10741	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03931	1.5
55.01862	3.9
55.05505	9.7
56.96550	2.8
57.07076	14.2
59.04997	3.4
64.39424	1.2
64.72308	1.2
67.05504	12.5
67.69963	1.3
69.03438	5.7
69.07069	13.3
69.45931	4.6
69.46360	6.2
71.04991	5.8
77.03919	2.0
78.00967	1.4
79.05486	10.0
81.07057	18.3
83.04974	4.9
83.08614	5.2
85.06535	4.7
91.05473	20.1
93.07043	15.3
95.04958	8.8
95.08591	21.6
97.06510	3.7
103.05473	1.8
105.07021	36.4
107.04974	2.1
107.08585	32.6
109.06519	10.9
109.10147	15.1
111.04441	1.2
111.08096	6.1
115.05445	2.3
116.64035	1.1
117.06997	6.3
119.05019	1.2
119.08576	98.9
120.08954	1.3
121.06504	3.1
121.10172	12.6
123.08069	7.6
123.11716	7.2
128.06252	2.7
129.07005	4.5
131.04893	1.1
131.08559	16.1
133.06506	2.9
133.10127	55.2
135.08038	20.7
135.11671	6.7
137.09619	7.5
142.07794	2.7
143.08571	10.6
145.06473	3.6
145.10124	17.0
146.07243	3.4
147.08055	7.7
147.11684	20.6
149.09583	4.2
149.13268	3.1
151.11166	7.7
156.09346	5.4
157.10103	13.0
158.10880	3.5
159.11707	11.6
160.08884	1.3
161.09625	31.8
161.13214	4.6
163.11166	1.2
170.10878	1.9
171.11691	9.0
173.06071	1.6
173.13243	20.0
175.07556	1.9
175.11165	12.8
175.14812	18.7
177.12798	6.8
179.10652	14.0
184.12448	3.2
187.11165	3.7
187.14803	4.3
189.12794	3.5
189.16368	20.7
191.14284	1.8
193.12198	1.6
193.15918	3.1
199.14825	14.2
202.13490	4.0
217.15874	100.0
218.11729	4.3
218.16132	2.0
231.08961	2.3
235.09586	1.9
235.13162	2.4
235.16911	86.9
236.11099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83778	1.1
56.96558	2.5
58.06598	6.3
59.04990	2.7
70.06569	4.3
70.43426	2.8
70.43828	2.1
72.08154	100.0
84.08138	15.5
86.06042	3.5
88.07635	8.7
94.93027	1.9
97.42715	1.0
98.97572	5.0
107.93993	0.9
112.11241	4.6
116.34333	1.0
116.98617	3.5
118.05037	5.5
130.08632	3.8
134.99687	3.8
136.94051	3.0
142.08720	1.3
146.08121	62.6
150.99106	1.2
153.00691	1.3
158.03008	1.3
160.09676	6.8
163.10744	10.5
193.00235	1.9
217.15465	49.2
218.15820	1.2
234.06715	1.5
234.18118	81.6
252.96269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1486
Annotation	Crispine A
Peak:m/z	Relative Intensity
52.28905	0.4
55.05500	1.2
56.96572	2.4
57.03435	0.7
57.07065	0.9
62.03363	0.4
65.60513	0.4
67.05491	0.6
69.03416	0.7
69.07055	1.2
69.12123	0.4
70.06569	0.8
71.60828	0.8
72.08148	1.1
72.25130	0.4
75.05930	0.5
79.05482	1.0
81.07040	2.5
84.08146	0.7
91.05462	1.8
93.07047	1.1
95.08611	0.8
98.97591	3.1
103.05480	0.9
105.07008	1.5
106.06523	0.4
107.08586	1.2
108.04449	0.5
109.10120	0.5
115.05453	0.8
116.98624	3.3
118.06541	4.9
119.08566	1.2
120.08113	2.3
121.06457	0.6
121.10123	0.5
128.98578	0.7
129.07001	1.0
130.06548	0.8
132.04391	1.2
132.08090	9.8
133.08870	6.6
133.09932	0.6
134.09602	0.7
134.99644	2.6
136.06184	33.3
137.04616	1.1
137.08559	0.6
137.09584	0.8
144.08040	0.8
145.06464	0.7
146.06010	18.8
146.09589	0.7
146.99622	1.0
147.04425	0.8
147.08006	0.8
147.11687	0.5
148.05154	0.5
148.07576	0.9
149.09622	2.4
157.06456	1.0
158.99673	1.4
160.07571	1.7
161.05988	2.8
161.08377	2.8
162.09158	3.8
162.12747	2.3
171.11678	0.7
172.11183	0.5
174.09142	1.3
175.07510	1.7
176.07066	1.2
176.10701	10.1
176.12250	0.5
177.00679	2.3
177.11472	10.1
178.12352	0.5
179.10597	0.5
186.77681	0.5
189.00430	0.4
189.09099	0.6
189.12738	0.7
190.08627	22.8
190.12242	10.7
192.07288	0.8
202.79434	0.5
204.10219	1.4
205.10954	1.9
206.15370	0.7
207.13890	0.9
216.13882	1.2
217.12271	2.6
223.09006	0.6
234.15038	100.0
235.05782	0.5
235.09784	1.0
235.15050	0.7
235.17044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16314	0.2
52.15273	0.3
55.05520	1.2
57.03433	2.0
69.29920	0.9
69.30338	1.5
79.05490	1.3
81.07056	4.3
83.67088	0.2
91.05501	0.3
94.03519	0.2
94.04046	1.5
98.20692	0.4
98.97578	0.4
99.08092	0.3
112.05120	0.3
119.03539	2.6
119.04919	0.2
121.76272	0.2
136.06183	100.0
137.04611	2.3
137.06506	0.7
147.64877	0.2
148.06218	0.2
190.10876	1.2
234.13492	51.3
235.13756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1487
Annotation	Crispine A
Peak:m/z	Relative Intensity
50.98096	0.2
52.94239	0.2
55.05512	2.9
56.96569	1.4
57.03445	1.4
57.07071	0.4
57.74103	0.3
58.74182	0.2
59.05001	5.4
59.38357	0.2
67.05499	0.6
67.35205	0.2
69.03434	0.4
69.07079	0.4
71.04979	0.6
73.06555	0.9
79.05497	1.1
80.04988	0.3
81.03409	0.3
81.07048	0.9
83.04967	0.6
84.08144	0.3
85.02905	0.6
88.14119	0.2
91.05473	1.4
93.05776	0.4
93.07037	0.8
95.04947	0.4
95.08573	0.3
97.02898	0.5
98.97594	2.3
105.03391	0.4
105.07029	1.5
106.06582	0.4
107.08600	1.4
109.06524	0.5
109.10178	0.5
115.05441	1.0
116.98640	2.2
117.07043	1.8
118.06551	9.9
119.07330	11.1
119.08618	0.8
121.06530	0.4
121.10170	0.5
123.08031	0.4
128.06140	0.3
131.08516	0.4
132.08130	0.9
133.08873	0.8
133.10005	0.3
134.09656	87.0
134.99654	1.8
135.08034	0.5
135.10001	0.9
136.06181	3.7
145.10129	0.4
146.06004	0.7
146.10428	0.3
146.99704	0.5
147.08014	0.4
147.11703	0.4
149.09552	0.5
158.24748	0.2
158.99675	0.7
161.01276	0.2
161.09602	0.3
165.05479	0.4
171.04965	0.3
173.13249	0.6
175.11136	0.3
177.00749	1.4
177.11482	0.5
189.12849	0.4
189.23080	0.3
190.08679	1.1
192.10208	0.3
214.08594	1.2
223.09097	3.5
234.14915	100.0
234.59869	0.8
235.09779	0.3
235.15088	1.3
235.17181	0.6
237.02817	0.6
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
55.05499	0.4
56.05036	17.0
56.96555	0.4
57.03435	2.4
58.06601	3.1
61.91525	0.3
69.03429	0.3
69.07070	0.5
70.06617	0.3
70.99250	0.7
72.08163	0.6
72.93797	0.3
74.02447	0.6
74.06080	100.0
75.04478	1.1
77.82115	0.3
80.66843	0.3
82.06573	0.3
83.08638	0.4
83.94917	0.3
84.04505	4.0
85.02905	0.4
86.06056	0.3
86.09705	20.7
87.05614	0.3
98.09662	0.4
100.04013	0.5
101.07140	1.8
104.10766	0.9
126.12791	0.5
127.85496	0.3
132.10208	17.7
135.08069	1.5
142.05099	0.3
142.12323	0.8
143.11807	1.0
145.06520	0.3
156.10095	0.4
159.08070	0.4
169.13339	1.9
170.11813	0.4
173.09802	0.4
187.08739	1.3
187.11310	0.6
187.14418	9.3
190.98775	0.4
215.06996	0.5
215.10611	0.5
215.13898	3.9
233.09630	0.4
233.14983	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	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03943	2.1
55.05498	4.7
56.96550	5.7
57.07076	3.7
66.94907	1.2
67.05495	5.7
69.03431	7.9
69.07069	2.5
69.43574	7.4
69.43997	4.7
71.04980	1.7
72.04517	3.2
74.54217	1.1
79.05491	46.4
81.07056	8.5
83.04978	3.1
83.08605	5.8
85.06531	1.6
88.77380	1.2
91.05475	9.1
93.07037	10.3
95.04972	8.2
95.08593	7.9
97.06554	2.0
103.05499	1.5
105.07032	18.8
107.04955	45.8
107.08589	13.3
109.06530	4.3
109.10149	2.5
111.04456	2.1
111.08043	4.0
115.05462	2.5
117.06992	6.3
119.08580	17.8
121.06493	2.7
121.10113	7.0
123.08068	1.3
123.11758	1.9
125.06039	1.3
125.09618	2.9
128.06265	2.1
129.07008	1.8
131.08571	13.2
133.06485	1.9
133.10112	11.6
135.08052	4.3
135.11676	1.8
137.09657	6.4
141.07005	1.4
142.07796	1.7
143.08525	2.3
144.09247	1.2
145.06473	3.5
145.10100	18.8
147.08058	13.1
147.11693	15.9
148.26897	1.2
149.01198	3.0
149.09586	8.3
149.13251	3.6
156.09404	1.5
157.10081	5.9
158.10907	2.0
159.07982	2.8
159.11707	5.7
162.77467	1.2
163.11168	4.9
171.11624	2.2
173.09666	3.0
173.13239	10.9
175.11169	17.5
175.14838	2.0
177.09125	2.1
182.10857	1.7
187.11209	3.0
187.14775	5.6
189.12752	4.7
191.14299	55.2
197.13283	2.9
210.52896	1.4
215.10742	1.5
215.14351	9.9
215.17961	4.7
233.08038	6.7
233.11649	4.7
233.15363	100.0
233.18727	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	233.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	16.7
61.02914	7.8
66.04046	5.4
70.06551	8.5
70.12424	4.8
71.58805	5.5
72.08144	24.0
76.90926	4.9
84.04515	14.9
84.08141	19.8
85.02910	7.0
85.99290	5.1
86.06085	7.4
86.09711	21.6
87.04488	11.1
98.97585	15.9
104.07188	8.3
116.98650	17.2
119.01897	7.5
128.22066	5.3
128.52890	5.1
128.98654	6.0
157.03487	6.8
161.01227	7.7
161.02954	11.4
167.02925	6.0
225.59111	6.3
233.06357	100.0
233.08485	10.3
233.14868	7.6
251.03992	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	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	13.7
56.05032	22.9
56.96569	33.9
57.03440	6.5
58.06602	8.0
61.02912	11.4
69.03413	18.5
69.65306	37.3
70.06593	14.8
72.08159	97.1
72.49658	5.2
74.06080	100.0
84.04503	17.6
84.08135	14.1
84.96044	5.1
85.02895	17.8
86.06055	11.6
86.09705	41.2
98.97552	13.6
100.05112	5.0
104.07092	8.6
113.02386	13.4
116.98606	14.5
117.07053	4.9
119.01868	14.1
128.98601	8.1
130.04994	5.8
132.10196	18.1
133.03426	7.1
134.99660	11.1
143.01918	4.9
146.99628	11.6
158.99675	7.8
161.01080	5.9
161.02971	5.2
187.14423	11.8
207.01695	6.1
216.08862	5.4
219.01932	7.8
233.04343	8.0
233.06349	44.7
233.11835	11.1
233.15154	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61084	0.8
54.14003	0.9
55.05511	21.7
56.05011	1.6
56.96559	1.5
57.03437	1.0
59.58060	0.9
67.05181	1.0
67.05508	12.9
69.03426	3.2
69.06732	1.8
69.07073	19.2
70.03754	0.9
70.06599	5.8
70.89668	2.1
71.04983	3.7
72.08158	0.9
77.18181	0.9
79.05506	7.2
81.03388	2.0
81.07062	34.3
82.06574	1.2
83.04970	2.6
83.08619	15.8
84.08136	4.1
85.02902	1.6
85.06570	4.9
87.04447	1.1
91.05477	9.0
93.07053	8.0
95.04954	1.3
95.08611	42.9
97.02866	1.1
97.06554	6.8
97.10178	4.7
98.09669	1.1
99.04400	0.9
99.08099	2.1
101.06021	1.4
105.07036	9.5
107.04927	1.4
107.08569	3.6
109.06490	2.6
109.10164	5.0
111.08069	1.5
114.05509	1.2
119.04968	1.1
119.08587	12.4
121.10141	4.3
123.08073	3.7
126.09164	1.8
127.07587	1.6
131.08553	1.2
133.10123	9.6
135.11688	5.6
137.09665	1.3
137.13239	8.5
141.09050	1.3
145.06485	1.2
145.10181	0.8
147.04414	1.3
149.13271	1.4
151.11166	0.8
151.14723	1.1
152.69931	1.0
154.08655	1.2
161.13258	22.2
178.15924	1.5
179.14334	10.5
187.11172	1.3
196.16978	16.9
197.15323	4.8
204.13811	1.0
214.18028	100.0
215.18382	2.5
232.11772	2.8
232.19080	41.9
233.08183	1.9
233.11766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03947	0.9
55.01862	0.4
55.05515	11.3
56.05037	3.1
56.96561	1.7
57.03428	0.3
57.05820	1.0
67.05477	0.2
69.03429	4.0
69.03807	0.2
69.58878	0.7
69.59303	0.9
71.05009	0.4
72.08158	100.0
73.02912	0.4
73.08491	0.6
74.06070	0.3
79.05494	0.4
81.03425	1.5
81.07082	0.4
83.04997	0.3
84.08150	0.4
85.02901	1.4
86.09710	5.2
87.00832	0.6
91.05476	0.3
93.07033	0.2
95.05005	0.4
97.02895	1.1
97.06554	0.3
98.20778	0.4
98.97599	0.6
99.04473	0.8
103.06285	0.2
105.07059	0.5
109.02919	0.6
111.04469	0.5
111.32885	0.2
115.05499	0.4
116.07138	0.2
116.98624	0.7
119.04983	0.2
119.08602	0.3
127.03970	0.9
128.06239	0.2
131.08540	0.2
132.10214	3.8
132.45387	0.2
133.10184	0.3
134.99684	0.4
136.06146	0.3
141.06992	0.2
143.00203	0.3
143.08580	0.3
146.99731	0.3
147.04408	0.8
147.08015	0.2
157.06535	0.3
159.03281	0.3
161.01312	0.4
161.06021	0.4
162.99104	0.2
163.03937	0.5
171.04482	0.5
171.11679	0.2
175.07597	0.9
185.05782	0.3
185.07211	0.5
185.16563	0.8
203.07146	0.8
207.08113	0.5
208.03201	0.3
231.02960	0.6
231.06528	1.7
231.10104	0.4
231.13885	0.7
231.17111	2.5
232.12018	0.3
234.09392	0.3
238.08757	0.2
251.11839	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78331	0.6
54.03458	0.8
55.05501	0.8
56.05040	0.7
56.96564	6.8
59.06948	0.6
67.05501	1.5
69.03423	2.8
70.06593	3.5
70.67332	0.7
70.67683	1.8
71.05006	0.9
71.06921	0.8
71.95255	0.7
79.05482	2.8
80.05028	1.7
81.04565	0.6
81.07040	4.4
82.05315	3.0
82.06583	3.5
83.04979	0.7
83.06104	6.5
84.08126	1.3
86.09698	0.9
91.05490	1.4
93.05775	1.1
94.06586	1.4
95.06095	5.9
96.08133	2.3
98.97577	13.9
100.07610	0.6
106.06556	7.3
108.06864	2.1
108.08115	7.3
110.06056	4.1
111.04427	1.4
113.07126	1.6
116.98622	13.8
121.40235	0.7
123.09188	100.0
124.07556	1.3
125.10754	38.4
133.07573	1.5
134.05969	1.3
134.99666	8.7
140.10728	0.7
141.10190	0.9
143.08983	0.9
151.08664	29.8
152.07080	1.2
153.00716	0.8
169.09726	25.6
187.10870	1.0
189.04292	0.8
195.96745	0.7
224.08186	1.0
230.07649	1.4
230.11363	44.6
230.15826	2.5
231.11667	1.0
248.08090	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01850	0.7
55.05497	1.6
56.05029	2.3
56.96570	1.0
57.03426	0.6
58.51518	0.4
64.66201	0.4
68.99774	0.6
69.03429	8.0
69.07076	0.6
70.06590	0.9
71.04983	1.1
71.12839	0.8
72.07793	0.7
72.08151	6.5
74.02441	6.9
79.05483	0.7
81.03417	3.3
81.07039	1.6
83.04966	0.8
83.08607	0.8
84.08135	0.6
85.02903	2.7
85.06486	0.4
86.09666	0.5
87.00826	1.7
91.05470	1.6
93.07063	0.6
95.04974	0.4
97.02880	1.7
98.97585	0.9
99.04463	2.2
102.05540	3.1
105.07007	0.9
107.04982	0.7
107.08592	0.4
109.02863	1.4
109.06524	0.8
115.03918	0.5
115.05466	1.7
117.05733	1.0
117.07063	1.9
118.06551	9.0
119.08574	1.1
127.03898	2.2
127.07573	0.6
128.06213	0.7
129.06975	1.4
130.06528	32.6
131.04968	0.6
131.07216	0.3
131.08566	1.2
132.05705	0.5
132.08076	2.0
132.10191	1.4
133.06421	0.6
135.08058	0.4
141.07025	0.8
142.06570	1.1
142.07712	0.6
143.07307	16.9
144.08087	13.7
145.06541	0.5
145.07593	0.8
145.10216	0.4
146.06007	21.4
147.04346	0.4
147.08026	1.0
149.05939	0.5
153.56628	0.4
154.06508	8.7
155.07286	0.6
156.08101	2.5
157.06499	0.5
157.08893	3.9
157.10165	0.6
158.00078	0.5
158.09654	100.0
159.10132	0.7
160.05173	0.5
161.09659	0.4
167.07280	1.5
168.08089	22.5
169.08806	1.1
170.06076	1.9
170.09631	2.0
171.02838	0.8
171.04337	0.6
172.07587	1.6
175.07555	1.0
175.09776	0.5
185.05927	0.6
185.10759	1.8
186.09108	0.6
187.07487	0.4
187.12393	0.6
188.07065	28.0
189.05562	0.4
196.07599	2.3
203.06961	0.5
203.10744	0.5
213.09114	0.5
213.12794	0.4
214.08633	21.8
227.02376	0.4
231.06525	3.0
231.11423	10.0
231.13788	1.8
232.11937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
54.31465	1.3
55.05510	8.2
57.03440	18.1
57.07066	2.3
58.03110	1.3
59.04989	4.6
65.03938	1.6
67.05506	100.0
69.07053	1.9
71.04990	4.3
79.05479	1.4
81.07071	13.9
83.08622	5.9
85.06564	1.4
91.05488	5.8
93.07032	4.5
95.04993	1.6
95.08615	5.5
102.43174	1.3
107.08589	2.2
109.10157	86.7
110.10509	2.0
111.08061	2.1
112.13723	1.4
119.08550	6.8
129.22342	1.3
129.87329	1.2
137.09636	3.3
145.10191	1.1
146.09810	1.1
155.10687	3.9
173.11752	27.7
229.14232	20.9
229.19527	1.6
229.23711	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Pro Ile
Peak:m/z	Relative Intensity
50.30299	0.3
52.95937	0.3
55.01859	0.4
56.96556	0.6
58.06348	0.4
58.06602	5.8
59.07382	1.5
60.08170	7.4
68.05016	1.0
70.06595	34.4
71.38628	0.5
72.08162	0.6
95.00323	0.3
96.08127	1.4
97.02852	0.3
98.06041	0.9
98.97551	0.4
106.46552	0.3
114.05527	3.8
114.09167	2.2
116.07076	0.9
122.06031	0.3
124.07589	4.2
126.09110	0.8
128.02179	0.3
142.08640	32.4
170.08124	1.5
217.89799	0.3
229.15483	100.0
230.15773	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.01881	0.5
55.05510	8.8
57.03151	0.9
57.03436	18.6
57.07075	2.0
59.05001	5.3
65.03937	1.1
67.05505	100.0
68.05827	0.6
69.07064	1.8
70.86402	1.1
71.04993	3.2
79.05494	1.7
81.07058	13.6
83.08626	7.2
85.06546	2.9
85.27681	0.5
91.05490	6.2
93.07038	2.9
95.04980	0.8
95.08605	6.0
99.08090	1.0
105.06996	0.5
107.08632	2.5
109.10155	89.2
110.10490	1.3
111.08099	3.2
119.08582	7.0
137.09610	4.4
155.10663	3.6
173.11736	26.4
190.48820	0.6
229.14310	24.7
229.19235	1.0
229.23615	0.7
230.14703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03923	2.6
55.01845	8.9
55.05507	12.8
57.03411	9.8
57.07053	2.7
67.05504	68.4
67.21569	2.6
69.03430	2.3
69.07066	14.2
69.50550	2.2
71.04961	5.7
71.87800	2.2
75.04074	2.5
79.05476	17.7
81.07058	69.2
83.04944	4.5
83.08566	7.0
85.06499	8.2
91.04992	2.3
91.05475	32.9
93.07052	18.4
95.04949	7.5
95.08615	11.7
97.06541	16.4
99.08035	2.4
105.07026	44.7
107.04924	3.7
107.08543	9.6
109.06546	11.9
109.10159	42.5
113.06020	2.6
115.05365	2.5
117.06980	3.9
119.07820	2.6
119.08576	36.9
121.10143	16.2
123.08027	3.5
123.11694	24.9
129.06949	10.6
131.08521	10.5
133.10149	12.8
137.09630	3.6
141.06964	4.0
143.08452	2.8
145.10046	7.0
147.07967	3.3
147.11685	100.0
157.10107	26.2
159.11610	3.7
165.12744	48.2
169.06535	3.0
171.11615	3.6
173.09612	4.3
173.11736	12.4
173.13063	3.2
175.11180	22.8
185.13060	2.5
186.06688	3.1
187.11171	2.7
187.13423	4.1
193.12308	5.3
201.05487	3.0
211.14922	3.1
229.04950	4.1
229.08495	11.1
229.12257	7.6
229.14240	94.7
229.19518	5.0
229.23285	4.6
230.19032	47.4
230.71126	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.2
57.03439	18.7
57.03705	1.1
57.07080	1.4
57.12263	0.5
59.05002	5.3
65.03951	1.6
67.05506	100.0
68.05856	0.7
69.03449	0.7
69.07072	2.7
69.87213	0.5
70.25850	0.5
71.05000	3.6
71.60446	1.0
79.05500	1.6
81.07058	12.9
83.05055	0.6
83.08620	6.4
85.06546	2.4
89.75031	0.5
91.05483	5.5
93.07054	2.5
95.04965	0.5
95.08625	4.9
107.08591	1.9
109.10158	88.0
110.10494	1.4
111.08084	2.3
117.07068	0.7
119.08571	6.0
137.09624	3.6
155.10672	3.7
173.11752	24.4
188.86418	0.6
229.08395	0.7
229.14227	21.6
229.19357	0.8
229.23404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1224
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
53.03953	5.7
55.01870	1.1
55.05497	3.4
55.16266	0.7
56.96560	0.8
57.03431	2.5
65.03925	1.2
66.12278	0.9
67.05502	14.2
69.03089	1.5
69.03433	24.4
69.07063	1.7
70.06574	2.6
71.04980	1.1
71.20695	0.7
71.60676	1.0
79.05494	2.9
81.07050	4.7
83.04977	4.3
83.08582	1.4
85.06538	1.1
85.27850	0.8
90.06667	0.8
91.05488	9.7
93.03378	1.1
93.07048	9.6
95.04990	3.8
95.08601	1.6
98.97599	1.2
99.08122	0.9
99.66735	0.8
103.05450	0.8
105.07039	8.6
107.04963	1.2
107.08594	2.9
109.02888	19.6
109.06535	2.0
109.10152	11.6
115.05453	1.8
116.06242	1.1
116.98653	1.1
117.07011	3.1
119.08586	10.7
121.06509	10.8
121.10161	2.2
126.02665	0.7
128.06207	3.3
129.06996	6.0
130.07747	1.8
130.88243	0.8
131.08575	15.0
133.06470	1.1
133.10127	12.6
135.04224	0.9
135.08049	1.7
137.09644	1.0
141.06982	3.3
142.07762	3.8
143.08562	15.6
144.09380	6.6
145.06487	4.4
145.10135	10.3
146.07196	0.9
147.08018	1.0
149.01173	1.0
153.06995	4.3
154.07828	0.9
154.36667	0.9
155.07297	1.3
155.08539	7.0
156.09338	2.2
157.06496	0.9
157.10126	3.6
158.07280	2.0
158.09651	1.6
158.10910	15.8
159.08069	7.9
159.11699	12.0
161.09660	1.5
167.07106	0.9
167.08469	1.1
168.09369	5.0
169.10129	3.0
170.10915	8.0
171.08055	10.2
171.11713	0.9
172.08821	10.1
173.06207	1.4
173.08096	1.2
173.09631	41.3
173.11902	2.7
173.13261	45.5
175.07486	2.0
177.00746	1.0
178.07794	1.2
181.06483	2.6
181.10135	0.9
183.11707	8.7
185.09601	3.5
185.13272	2.6
186.10423	25.7
187.07561	3.2
187.11185	68.3
188.11501	1.2
193.10185	1.9
195.08083	1.4
196.08847	8.0
198.06711	0.8
199.07567	2.4
201.12750	63.6
211.07709	1.0
211.11200	13.3
214.09879	4.8
229.04961	2.0
229.08534	2.7
229.12244	100.0
230.12692	1.7
230.65720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1071
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
53.03935	0.6
55.01861	1.0
55.05494	1.2
56.96560	0.5
57.03419	0.5
62.29527	0.3
65.03921	0.7
67.05504	2.6
69.03417	1.7
69.07065	0.9
69.27821	0.4
69.51121	2.8
70.06597	4.3
71.04974	0.4
72.08151	0.5
78.04698	3.3
79.05494	2.6
81.03435	0.6
81.07058	2.8
84.08154	0.8
85.02908	0.8
85.24926	0.4
86.09694	1.1
87.95595	0.4
91.05483	3.3
93.07037	2.3
95.04967	3.1
95.08546	0.5
98.21480	0.8
98.97608	0.6
100.07658	0.5
103.05450	1.3
105.03363	0.5
105.07017	2.2
106.04157	1.4
107.04971	1.9
107.08595	0.4
109.02854	0.9
109.06493	1.4
109.10162	0.5
115.05440	0.4
116.07048	0.8
117.07022	0.7
119.04921	1.0
119.08606	0.8
121.06496	3.2
122.07225	0.4
123.04430	8.7
123.08054	1.0
124.05240	2.6
125.05997	0.5
127.07558	0.4
128.06235	0.8
129.07030	0.9
129.10274	0.4
131.08583	1.5
133.06509	1.1
134.03632	0.6
135.04414	1.0
137.05992	0.9
141.06967	1.2
142.07788	0.7
143.08562	1.2
144.09392	0.5
145.06485	0.7
145.10114	0.9
149.05960	2.2
151.03896	2.5
152.04718	1.9
153.06985	1.3
155.07292	0.4
155.08569	1.8
157.10104	0.6
158.07280	0.5
159.08072	1.5
159.11702	1.4
160.66429	0.4
161.05998	1.1
165.05544	0.4
165.07025	0.6
166.06241	0.8
167.07045	100.0
168.07465	2.3
168.09369	1.2
171.08057	1.0
171.95042	0.4
172.08810	1.2
173.05951	0.7
173.09610	0.6
173.13295	1.0
174.92171	0.4
178.07600	0.5
181.06456	0.8
181.08609	2.3
183.11667	2.3
185.09505	0.5
186.10425	0.4
187.07579	0.7
187.11220	2.0
193.08582	1.1
193.10182	0.8
196.08784	2.0
201.09050	0.5
201.12743	3.2
211.09554	0.8
211.11214	3.6
212.03688	0.4
214.09923	0.4
229.08618	0.9
229.12198	10.3
229.15555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12440	1.4
53.03945	2.3
55.05498	2.6
56.05040	1.9
56.96559	6.4
57.07066	2.0
58.06581	1.8
59.05009	2.4
67.05498	4.9
68.05034	4.4
69.03430	3.7
69.07063	8.4
70.06590	4.4
71.59605	2.3
72.08141	3.6
72.93802	1.4
79.05484	3.1
80.05015	8.3
81.07052	3.2
82.06581	2.9
84.04510	4.8
84.08121	2.4
86.09690	4.6
87.04468	4.9
91.05492	3.4
93.07076	2.4
94.06570	20.3
95.04973	4.5
95.08604	3.6
96.04511	2.6
97.02873	2.1
97.06517	2.4
98.97594	3.7
105.06983	1.7
107.04993	3.1
108.04496	12.8
110.06047	14.8
111.08080	1.9
112.07603	4.1
116.07093	2.4
116.98606	4.3
120.08063	2.4
121.06544	2.4
121.07614	4.8
122.06028	45.8
122.09624	1.9
123.04448	3.5
123.06784	1.9
124.07568	8.7
134.99693	4.3
136.07581	6.7
136.11208	1.7
137.08356	2.4
137.29077	1.5
138.09106	3.3
139.07587	2.8
139.08707	5.2
140.07062	100.0
142.08627	7.0
146.09598	1.7
150.09123	2.3
152.07060	47.9
153.07884	14.6
154.08633	25.0
159.21272	1.6
163.03970	3.2
164.10733	4.8
165.09111	2.1
166.08672	6.2
167.06987	2.6
167.08231	5.9
168.07539	2.1
182.08092	3.5
182.11795	4.1
183.11295	2.4
185.09258	7.8
192.10225	2.8
194.11766	1.6
205.98853	2.9
210.11281	8.7
228.09819	19.7
228.12320	33.0
228.23212	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	228.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	0.7
55.01871	0.5
58.06601	0.3
68.05031	0.9
70.06590	2.2
71.19322	0.5
72.08173	0.3
75.32102	0.2
80.05016	35.7
81.05376	0.3
84.08157	0.4
84.12783	0.3
95.80553	0.2
121.07627	29.6
121.36012	0.2
122.06011	0.6
139.08665	20.6
142.08629	1.6
167.08165	36.5
168.08511	0.8
182.09213	0.4
185.09216	35.9
186.09543	0.5
228.09789	100.0
229.10118	1.8
229.15469	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	228.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55661	0.5
55.01860	0.7
61.02902	0.7
68.05018	1.3
70.06579	1.1
71.39286	1.2
80.05014	46.1
90.95721	0.5
94.06623	0.6
117.45352	0.5
121.07621	31.9
122.05975	0.9
139.08656	26.0
142.08598	0.8
151.40768	0.6
167.08157	38.7
170.87892	0.5
182.09213	0.8
185.09215	42.7
186.09531	0.8
228.09784	100.0
229.10147	1.0
229.15450	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
53.03939	9.4
55.01872	8.1
55.05515	44.8
55.80708	4.1
56.96559	21.2
57.03430	12.2
57.07067	10.5
61.92350	4.0
64.10520	4.4
64.99683	4.1
67.05508	80.7
69.03433	5.2
69.07069	39.2
71.04995	11.5
71.60126	6.1
79.05489	45.7
81.03398	11.9
81.07061	100.0
83.04990	14.2
83.08620	26.1
85.02969	5.4
85.06535	12.4
91.05485	31.0
93.07037	61.2
95.04984	10.1
95.08608	28.2
97.06521	14.7
97.10155	29.2
99.04461	4.1
99.08067	6.2
100.11269	10.3
104.08021	4.1
105.07012	11.9
107.08591	47.9
109.06524	4.3
109.10158	9.7
111.08129	6.8
117.07039	8.6
118.14939	4.4
119.08652	6.0
121.10126	23.2
123.08119	5.1
125.09647	24.9
127.76987	3.8
131.08583	15.0
133.10141	15.3
135.08052	15.4
135.11681	19.4
137.09618	6.5
143.08514	8.4
149.09547	4.8
149.13286	46.1
155.07025	6.0
157.10144	6.9
159.11707	24.7
160.94255	4.0
167.03336	4.2
167.10721	4.5
171.11703	4.5
173.01373	4.6
177.12752	13.7
185.13179	5.1
189.11279	10.5
195.13789	9.3
201.10849	4.4
209.13336	4.9
227.10719	8.2
227.12685	41.7
227.17978	10.0
228.06570	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	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03931	1.8
50.85557	1.5
53.03930	1.9
55.01867	8.4
55.05507	19.8
56.96555	2.9
57.03192	1.4
57.03433	12.0
57.07075	9.7
59.04997	7.4
61.85018	1.4
63.65188	1.4
65.03944	3.7
67.05501	45.1
69.03429	18.5
69.07066	27.8
71.04991	25.9
73.02906	5.6
75.04469	3.7
79.05058	2.9
79.05491	42.0
79.43804	1.7
81.03417	2.7
81.07049	35.2
82.40238	1.5
83.04974	23.7
83.08610	13.8
85.02885	4.4
85.06541	95.3
86.09702	9.8
87.04433	1.5
91.05470	28.0
93.07040	42.5
95.04955	15.4
95.08038	2.6
95.08604	25.7
97.02882	2.6
97.06535	11.3
97.10158	4.4
98.97566	2.2
99.04410	5.0
99.08086	6.7
100.11249	12.1
103.05497	3.3
105.07022	35.0
106.04131	1.8
107.04959	14.9
107.08588	100.0
109.06509	19.9
109.10149	52.1
111.04440	13.7
111.08083	9.2
113.06010	1.6
113.09657	1.6
115.05452	3.4
116.06239	2.8
116.98606	2.9
117.07014	9.2
119.08571	25.2
120.08815	1.7
121.06506	24.0
121.10140	87.3
122.07291	3.2
123.04420	6.3
123.08071	10.7
123.11685	11.3
125.05973	10.0
125.09628	14.1
127.07510	2.1
128.06212	3.7
129.04010	1.6
129.06982	8.7
129.09087	2.6
131.08562	71.4
133.10129	19.5
134.99658	2.3
135.04437	2.3
135.08041	17.3
135.11687	16.4
137.05978	4.3
137.09598	30.6
137.13228	1.6
139.07515	4.1
139.11185	9.1
140.04663	9.5
142.78157	1.5
143.08562	3.6
143.10660	3.1
145.10121	32.1
147.08017	7.6
147.11743	10.8
147.22852	1.6
148.05222	2.9
149.05988	7.8
149.09618	68.6
149.12169	3.1
149.13248	29.3
150.09944	2.5
151.03949	2.1
151.07661	1.8
151.11179	64.7
153.05467	4.8
153.06804	2.4
153.09103	5.2
153.12688	2.8
155.07034	12.8
155.08295	2.5
155.25627	1.8
158.10893	3.8
163.07555	5.3
163.11195	22.9
163.14812	20.8
165.09094	8.5
165.12737	4.7
167.07019	25.1
167.08310	2.3
167.10655	28.4
169.08560	2.6
169.12247	6.1
173.09627	5.6
173.13257	27.5
177.05441	5.8
180.36128	1.8
181.04971	16.3
181.08571	2.2
184.05072	1.8
185.09314	2.3
191.10667	45.7
191.14297	49.5
195.06534	4.9
206.76038	1.5
209.08195	11.0
209.11717	46.4
209.15352	10.7
216.23016	1.5
227.06963	5.1
227.08949	3.2
227.10741	2.5
227.12648	14.8
227.16278	3.5
227.19926	1.9
228.09613	3.0
247.22110	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03947	7.0
55.01868	8.2
55.05508	28.9
57.03429	7.8
57.07076	7.2
59.05003	4.7
59.63824	2.5
61.02919	2.9
67.05169	4.0
67.05505	40.6
67.94437	2.8
69.03429	44.0
69.07069	49.7
70.27670	10.0
71.04991	50.8
73.02930	3.1
79.05494	49.5
81.03425	13.3
81.07060	59.6
83.04987	25.5
83.08624	20.1
85.06546	12.3
87.04488	3.1
90.82520	2.3
91.05467	27.7
93.07041	58.4
93.63406	2.7
95.04966	28.8
95.08054	4.7
95.08611	52.6
97.06518	13.9
97.10164	25.9
97.26124	2.9
98.20792	3.0
99.04453	37.1
99.08108	10.6
99.20890	3.2
100.11241	5.7
105.07038	27.9
107.04947	15.7
107.07874	5.1
107.08598	100.0
109.06515	23.1
109.10155	49.8
111.04424	4.0
111.08089	23.2
115.07540	9.8
117.07026	7.5
119.08572	15.1
121.06492	14.8
121.10145	40.6
121.82552	2.5
123.04424	5.1
123.08048	15.6
123.11692	20.0
125.05951	4.2
125.09633	34.7
131.08565	18.2
133.10124	23.4
135.08051	26.7
135.11690	12.3
137.09602	10.6
139.07498	4.0
143.08577	2.5
143.10695	10.8
145.10126	7.4
147.11671	15.1
149.05989	4.7
149.09633	18.5
149.13231	22.7
151.11186	29.9
153.09085	15.0
155.07059	4.6
163.11116	4.8
163.14828	28.1
165.12787	15.5
167.07042	18.7
167.10593	4.7
169.12230	2.8
171.10226	2.6
173.13266	31.9
177.05510	6.4
181.04941	3.5
183.13832	4.6
191.14317	38.3
195.06554	3.1
209.08122	15.2
209.15317	21.6
227.07011	3.7
227.16278	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03946	4.6
55.01867	4.3
55.05513	16.4
56.96560	2.3
57.03435	10.4
57.07082	10.0
58.47093	1.4
59.04995	6.1
65.03933	3.6
67.05507	42.6
69.03435	15.8
69.07074	22.4
70.06579	1.5
71.04996	23.9
71.08635	1.5
71.60416	1.5
72.08150	1.5
73.02915	5.2
75.04482	4.6
79.05495	33.7
81.03415	2.3
81.07057	26.9
82.06619	1.2
83.04973	20.0
83.08630	10.5
85.02922	1.4
85.06547	100.0
86.09708	6.6
87.04465	1.9
91.05484	28.5
93.07043	39.7
95.04968	10.4
95.08607	20.5
97.02944	1.4
97.06529	9.9
97.10175	4.1
98.71948	1.3
98.97578	2.9
99.04441	2.5
99.08086	7.4
100.11266	16.1
103.05486	3.3
105.07036	30.2
106.22813	1.2
107.04958	13.4
107.08598	82.4
109.06522	14.5
109.10162	39.9
111.04449	12.1
111.08096	7.8
113.05983	1.8
116.06304	1.7
116.98598	2.1
117.07028	6.5
119.08585	22.4
121.06518	20.9
121.07446	2.0
121.10148	73.0
122.07294	4.1
122.10479	2.4
123.04428	5.7
123.08044	6.2
123.11702	9.9
125.06001	10.8
125.09633	14.1
127.03981	1.5
127.07544	1.7
128.06174	1.9
129.07010	4.7
129.09044	1.4
130.07819	1.8
131.08569	68.2
133.10136	12.6
134.99670	2.0
135.04483	2.1
135.08044	11.9
135.11699	14.7
137.05965	2.7
137.09627	28.0
139.07593	3.1
139.11206	7.9
140.04652	8.7
143.07068	1.6
143.08554	3.0
143.10692	2.9
145.06474	2.4
145.10132	30.4
147.08057	5.1
147.11739	8.8
148.05197	2.7
149.05995	5.4
149.09622	64.6
149.13255	23.6
150.10121	1.4
151.07602	1.5
151.09969	3.0
151.11182	54.0
153.05486	3.5
153.09103	7.0
153.12680	1.6
155.07050	9.5
155.08344	2.4
158.10930	5.4
163.07523	3.1
163.11194	24.1
163.14821	15.1
165.09077	11.5
165.12755	3.4
167.07048	26.0
167.08415	2.5
167.10683	29.7
167.14276	1.6
168.07545	1.4
169.08633	2.2
169.12280	4.9
173.09598	6.7
173.13266	18.2
177.00746	1.9
177.05495	4.7
179.10648	1.4
181.04982	15.2
181.06503	1.9
191.08928	3.1
191.10678	57.3
191.14305	43.3
194.05811	2.2
195.06532	3.5
199.11258	1.6
209.08264	8.8
209.09758	2.2
209.11734	45.6
209.15364	8.8
227.06943	2.7
227.08948	2.3
227.10730	2.6
227.12625	15.0
227.16328	2.7
227.17702	2.3
228.09851	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03939	4.5
53.94574	1.8
55.01862	8.1
55.05511	31.6
56.96558	6.6
57.03423	5.7
57.07064	8.3
59.04998	7.6
64.95294	2.1
65.03933	7.7
67.05509	18.9
68.99780	3.5
69.03429	34.4
69.07068	18.6
69.34306	24.2
70.16930	2.3
71.04985	13.8
73.02921	30.4
79.05490	15.8
81.03398	3.6
81.07059	24.5
83.04977	36.0
83.08625	14.8
83.09036	3.2
84.08065	2.4
85.02916	7.0
85.06551	16.9
86.09694	10.6
91.05470	16.9
93.07043	23.7
95.04968	20.2
95.08598	18.6
97.02879	4.3
97.06515	6.8
97.10172	14.5
98.21494	5.5
98.97584	6.1
99.00761	2.5
99.04440	20.3
99.08102	16.7
100.11253	32.5
100.22472	2.4
105.07014	10.0
107.04948	6.7
107.08575	24.4
109.02933	2.5
109.06516	8.7
109.10174	11.8
111.04433	6.6
111.08069	10.0
111.11760	2.8
113.06033	5.6
116.98641	3.6
119.04953	4.8
119.08578	6.2
120.67835	2.1
121.02876	2.4
121.06516	13.0
121.10146	26.3
123.04438	10.5
123.08070	7.5
123.11700	10.3
125.05973	6.2
125.09628	100.0
127.07550	3.1
127.11175	3.9
129.07024	2.6
131.08559	8.4
133.10143	14.7
135.08066	4.8
135.11684	6.5
137.05923	5.0
137.09595	7.6
138.03105	2.9
139.07561	2.8
139.11203	6.3
140.04686	38.9
145.10133	5.4
145.61710	2.3
147.04428	2.7
148.05162	3.3
149.05975	6.3
149.09628	27.9
149.13232	9.3
151.11185	12.0
153.05418	2.9
153.09100	28.1
155.07037	45.0
158.10905	2.7
161.02971	3.4
163.11105	2.9
163.14818	10.5
167.07047	37.4
167.08405	3.5
167.10675	10.7
169.12268	2.9
171.06544	6.6
173.13234	7.4
177.05482	6.9
181.04961	70.4
181.08536	4.0
182.05176	2.3
182.11795	5.8
191.10660	4.5
191.14328	16.5
194.05768	2.6
195.06468	4.3
199.08781	3.0
209.08153	27.5
209.11671	3.8
209.15277	48.6
210.15001	2.7
213.00813	3.3
227.08699	31.2
227.16161	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03928	3.1
55.01867	10.4
55.05512	27.3
56.96546	5.3
57.03423	4.1
57.07057	5.0
67.05182	2.2
67.05503	35.4
67.19271	1.9
69.03419	5.0
69.07067	20.7
71.04994	11.0
71.61331	2.4
73.02907	3.2
79.05079	2.9
79.05495	43.9
81.03392	4.5
81.07050	40.1
83.01299	1.9
83.04948	6.2
83.08217	2.0
83.08617	22.1
85.06554	3.4
88.58929	1.9
91.05486	20.0
93.07040	52.7
95.04977	13.8
95.08601	58.2
96.08129	2.4
97.02861	7.0
97.06499	5.0
97.10175	13.4
99.04435	6.7
100.11250	4.8
104.35574	2.0
105.04540	1.9
105.07038	12.6
107.04954	16.1
107.08596	40.2
109.06472	3.5
109.10122	7.8
111.04420	4.7
111.08025	2.8
117.07018	12.2
119.08578	16.7
121.06467	9.4
121.10133	20.9
125.05965	4.1
125.09631	10.5
131.08519	5.5
133.10132	4.2
135.07999	5.7
135.11685	65.9
139.07562	3.2
139.11163	1.9
142.07751	2.8
143.08531	3.6
145.09052	2.7
145.10121	34.1
147.11691	2.7
149.51118	2.2
155.06789	2.3
157.10059	5.4
159.11679	4.6
163.11183	97.8
167.07034	13.0
167.08261	2.8
171.10138	3.0
171.11577	5.0
177.05481	4.1
178.88399	1.9
181.04857	2.6
181.12215	13.1
185.13287	3.5
185.45522	2.0
189.11195	4.7
209.15254	3.0
227.06960	3.7
227.12723	100.0
227.17763	11.3
227.19968	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	227.1278
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
50.63823	3.5
53.03941	6.8
55.01864	13.6
55.05516	41.4
56.96574	8.7
57.03456	8.8
57.07071	4.3
58.81063	3.9
62.56382	3.3
65.03953	8.1
67.05504	30.1
69.03410	4.5
69.07069	26.9
70.95251	8.6
70.95585	7.7
71.04980	5.8
73.02911	11.0
79.05492	45.9
79.60654	3.7
81.03410	7.5
81.07059	41.8
83.04970	9.0
83.08623	15.7
85.06546	6.1
86.78526	3.5
91.05474	28.2
93.07045	68.2
95.04947	22.6
95.08610	79.4
97.02892	7.8
97.06564	9.7
97.10149	8.6
99.04438	13.3
99.08092	7.7
100.11263	13.0
103.05424	5.0
105.07029	18.0
107.04942	19.2
107.08598	54.2
109.06525	8.1
109.10157	11.2
111.04442	7.5
116.98618	11.4
117.07024	17.4
119.08597	16.6
121.02844	6.3
121.06535	20.5
121.10142	23.9
123.04461	5.6
123.08058	4.9
123.34415	3.8
125.06025	5.6
125.09624	8.1
128.06226	8.6
130.07825	4.5
133.10130	6.2
134.99686	6.8
135.08136	7.8
135.11687	73.7
137.05997	9.2
139.07590	7.5
140.04689	10.6
143.08578	9.3
145.10106	35.8
149.05968	12.9
149.09669	6.7
152.06242	10.4
153.06999	18.0
155.07028	12.6
157.10152	7.3
163.11186	100.0
163.12552	8.3
167.03360	5.4
167.07045	91.6
167.08383	3.9
171.08003	5.6
171.11693	9.1
177.05511	18.5
181.04979	12.0
181.12195	20.1
185.09520	4.9
185.13219	4.0
191.14326	3.7
197.45360	4.1
199.04068	3.9
209.06055	6.5
209.08061	17.1
209.11646	4.1
212.14413	4.7
227.07048	55.0
227.08966	4.0
227.10695	7.9
227.12656	91.9
227.17932	14.7
228.07147	3.8
228.17506	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01871	6.1
55.05503	6.1
57.03429	3.7
57.07070	6.8
65.03938	6.0
67.05502	30.7
69.03412	4.5
69.07057	4.2
69.93811	6.9
69.94227	3.7
71.04992	17.9
73.02920	25.2
77.03952	1.7
79.05495	28.6
81.07060	10.0
83.04987	9.9
83.08613	2.0
85.06543	100.0
87.04441	1.9
91.05470	19.4
93.07043	24.5
95.04971	16.9
95.08588	2.4
97.06529	7.6
99.08112	3.8
100.11260	4.0
103.05509	2.0
105.07027	19.2
107.04946	16.2
107.08600	27.0
109.06516	4.9
110.03652	3.6
110.92604	1.7
111.04477	12.7
112.99785	2.0
117.07005	8.5
119.08592	17.7
121.06507	15.6
121.10142	22.2
123.04424	6.6
123.08043	3.2
125.05962	10.7
127.03866	2.3
129.07005	7.0
131.08565	56.5
133.10120	1.9
135.04434	2.3
135.08066	4.5
135.11678	4.4
137.09679	8.6
139.07518	2.3
140.04683	27.5
145.10120	25.1
146.81517	2.1
147.08066	8.3
149.05972	4.3
149.09622	69.0
153.05493	2.9
155.07024	31.3
163.11182	16.8
165.09119	11.0
167.07057	11.2
167.08321	1.8
167.10689	28.6
171.06519	4.1
173.08295	4.0
173.09669	8.1
177.05505	3.4
181.04955	61.4
184.37848	1.9
191.08951	2.8
191.10670	52.5
197.11725	2.0
209.08043	12.7
209.11716	45.5
227.09166	9.5
227.12717	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.88056	0.9
53.03926	1.7
55.01859	4.1
55.05509	9.9
56.96564	1.5
57.03419	3.1
57.07068	8.3
65.03925	3.3
67.05502	29.0
69.03428	5.4
69.07069	9.9
70.85767	0.9
70.86646	2.3
71.04992	22.3
73.02904	3.4
77.03929	1.2
79.05489	27.9
81.03398	1.6
81.07053	9.1
83.04973	9.5
83.08600	3.2
85.02900	1.3
85.06541	100.0
86.09715	4.5
87.04444	1.5
91.05477	20.0
93.07043	26.2
95.04970	10.3
95.08624	6.0
97.06524	6.8
97.10178	2.2
98.97541	1.1
99.04443	3.9
99.08076	4.7
100.11250	10.9
103.05452	2.3
105.06379	1.7
105.07030	20.5
107.04944	13.1
107.07857	1.9
107.08588	36.0
109.06499	7.8
109.10146	8.2
111.04440	13.3
111.08072	1.8
111.49889	0.8
115.05355	1.0
117.06995	5.7
117.67313	0.9
119.08572	17.8
121.02836	1.3
121.06510	17.3
121.10141	27.6
122.95170	1.0
123.04397	3.0
123.08052	4.0
123.11721	1.2
125.05998	10.0
125.09623	4.1
127.03884	1.4
127.07571	1.4
129.06987	6.6
130.07751	1.0
131.08563	61.1
133.10136	2.9
135.04388	1.3
135.08029	4.5
135.11674	7.1
137.05981	3.8
137.09601	10.8
139.07518	2.2
139.11165	2.7
140.04703	5.5
141.05460	1.0
143.07059	1.5
143.08528	1.6
145.06409	1.7
145.10117	30.4
147.08057	6.4
147.11612	2.2
149.06009	5.1
149.09612	65.2
149.13243	3.7
151.07573	1.5
151.11151	5.6
153.05482	4.5
153.06639	0.8
153.09068	1.1
153.12874	1.0
155.07005	8.9
155.08435	2.4
156.09274	0.9
161.09532	1.2
163.07518	3.5
163.11174	23.1
163.13319	1.0
163.14771	1.9
165.05385	1.0
165.09117	12.3
165.12822	1.0
167.07045	18.0
167.08438	1.8
167.10675	34.2
169.12241	1.7
171.08003	1.1
173.08234	1.7
173.09581	8.4
173.13240	2.1
177.05467	4.0
179.10638	1.6
181.04961	10.0
191.10664	53.1
191.14276	4.2
194.05679	1.3
195.06561	2.0
197.11749	2.8
209.08260	6.8
209.11723	51.4
227.06950	2.2
227.08937	1.5
227.10785	2.1
227.12744	16.3
228.09825	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Taraxafolin
Peak:m/z	Relative Intensity
52.12840	0.5
53.03948	3.7
55.01857	2.1
55.05507	4.0
56.96551	1.6
57.07069	1.3
65.03928	3.5
66.04700	1.3
67.05504	3.8
69.03432	1.0
69.07067	3.6
69.40853	5.7
69.41251	1.3
71.04963	1.1
73.02905	1.2
77.03922	1.0
78.04661	0.7
79.05492	22.1
81.03410	1.6
81.06586	0.9
81.07055	14.4
82.21500	0.5
83.04989	1.4
83.08591	1.9
85.06545	1.0
89.03905	1.7
91.05481	13.1
92.05824	0.6
93.03372	0.7
93.07052	4.9
94.04210	5.2
95.04968	9.8
95.08597	3.2
96.05743	1.0
97.06532	2.1
97.10136	1.9
98.97565	2.3
99.04443	1.2
100.11240	3.2
103.05466	1.4
104.40600	0.7
105.03391	1.6
105.04491	1.4
105.07024	2.3
106.04177	1.1
107.04956	51.6
107.08614	3.4
108.05748	1.8
109.02870	2.5
109.05795	1.1
109.06516	16.3
109.10136	2.5
110.03671	0.7
111.08067	2.6
116.98609	2.1
117.06973	0.8
119.04912	1.2
119.06038	0.6
119.08613	1.0
120.02090	1.0
121.06513	6.7
121.10146	1.9
122.03664	5.7
123.04445	7.1
123.11719	1.4
124.05223	11.0
125.06000	3.8
125.09642	2.1
128.06213	0.8
129.07008	0.9
131.04922	1.1
131.08661	0.9
133.02861	0.9
133.10136	1.0
134.99629	0.9
135.04428	17.4
135.05455	0.7
135.11687	1.0
136.05205	1.3
137.02367	1.0
137.05981	19.5
138.06757	1.4
139.07542	63.5
140.04681	2.5
140.07901	1.0
141.05458	2.7
143.08559	1.7
145.03940	1.7
149.06012	3.7
149.09613	0.9
149.13283	1.0
150.03168	1.0
151.03934	2.0
151.11171	0.9
152.04680	3.7
153.05431	1.6
153.09056	1.1
155.07024	4.5
156.09299	0.7
157.10112	1.3
158.99648	1.0
163.03909	42.4
163.14722	0.7
165.05449	9.7
165.06705	2.0
167.07040	52.1
169.04973	7.1
169.08650	0.7
170.34488	0.6
171.11667	1.7
173.13210	0.7
177.05527	3.6
179.08528	0.9
180.04254	0.6
181.04913	2.4
181.06395	0.7
183.06546	6.2
184.05573	0.7
184.07310	12.9
185.13310	1.0
191.10693	0.9
191.14342	0.9
195.06531	100.0
196.06851	1.2
197.08031	2.0
209.08051	2.3
209.11621	1.0
209.15208	1.2
210.18591	1.2
212.04741	0.7
212.06804	1.7
227.07036	2.7
227.09064	13.0
227.11002	1.1
227.14371	1.7
227.17912	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	227.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
53.53612	0.6
55.01875	5.8
55.05500	2.8
57.03435	1.4
57.07058	1.6
59.05007	0.8
61.79014	0.6
64.39314	0.6
65.03938	7.1
67.05509	7.7
69.03418	2.9
69.07065	2.2
70.85497	1.6
71.04996	5.1
73.02920	39.4
79.05502	6.4
81.07042	2.9
82.04203	2.2
83.04977	2.7
83.08594	1.3
85.02921	4.6
85.06546	15.4
86.09692	2.0
91.03943	1.5
91.05485	8.6
93.03423	1.7
93.07052	6.6
95.04975	12.5
95.08609	2.2
95.44975	0.8
97.02892	1.8
97.06551	4.4
98.97556	0.9
99.04450	2.3
99.08089	1.5
100.11266	4.3
103.05441	1.6
105.07080	3.4
107.04911	3.8
107.08592	6.8
108.02114	1.5
109.06523	1.8
109.10136	2.1
110.03670	4.5
111.04455	5.0
116.15069	0.8
116.98599	0.8
117.07020	1.3
118.49834	0.6
119.08578	3.2
121.06527	5.8
121.10148	5.2
123.04437	10.3
123.08078	1.9
123.11707	1.1
125.02356	2.9
125.05992	5.4
125.09619	3.2
127.03988	0.9
129.06944	1.2
131.08559	11.5
133.10115	1.7
135.04424	1.4
135.11726	1.7
137.05971	1.1
137.09627	1.6
138.03116	2.4
138.12807	0.9
139.11151	0.6
140.04688	49.2
142.02621	3.2
145.10129	5.3
147.08032	0.8
148.05226	1.3
149.05981	2.9
149.09598	11.0
149.13321	1.2
149.47121	0.7
153.05458	2.8
153.09044	3.1
155.07034	62.5
163.11226	4.0
165.09149	2.2
167.07050	9.9
167.10686	5.3
171.06503	7.4
173.08130	5.5
173.09573	1.0
177.05431	2.7
179.07062	2.0
181.04964	100.0
181.08319	4.4
182.05266	2.1
182.11765	0.7
191.10704	9.9
191.14316	1.4
194.05685	1.4
195.06523	2.3
209.08109	23.4
209.11693	7.6
209.15306	2.4
227.09099	15.3
227.12454	3.2
227.16228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03952	1.5
53.53612	0.6
55.01875	5.8
55.05500	2.8
57.03435	1.4
57.07058	1.6
59.05007	0.8
61.79014	0.6
64.39314	0.6
65.03938	7.1
67.05509	7.7
69.03418	2.9
69.07065	2.2
70.85497	1.6
71.04996	5.1
73.02920	39.4
79.05502	6.4
81.07042	2.9
82.04203	2.2
83.04977	2.7
83.08594	1.3
85.02921	4.6
85.06546	15.4
86.09692	2.0
91.03943	1.5
91.05485	8.6
93.03423	1.7
93.07052	6.6
95.04975	12.5
95.08609	2.2
95.44975	0.8
97.02892	1.8
97.06551	4.4
98.97556	0.9
99.04450	2.3
99.08089	1.5
100.11266	4.3
103.05441	1.6
105.07080	3.4
107.04911	3.8
107.08592	6.8
108.02114	1.5
109.06523	1.8
109.10136	2.1
110.03670	4.5
111.04455	5.0
116.15069	0.8
116.98599	0.8
117.07020	1.3
118.49834	0.6
119.08578	3.2
121.06527	5.8
121.10148	5.2
123.04437	10.3
123.08078	1.9
123.11707	1.1
125.02356	2.9
125.05992	5.4
125.09619	3.2
127.03988	0.9
129.06944	1.2
131.08559	11.5
133.10115	1.7
135.04424	1.4
135.11726	1.7
137.05971	1.1
137.09627	1.6
138.03116	2.4
138.12807	0.9
139.11151	0.6
140.04688	49.2
142.02621	3.2
145.10129	5.3
147.08032	0.8
148.05226	1.3
149.05981	2.9
149.09598	11.0
149.13321	1.2
149.47121	0.7
153.05458	2.8
153.09044	3.1
155.07034	62.5
163.11226	4.0
165.09149	2.2
167.07050	9.9
167.10686	5.3
171.06503	7.4
173.08130	5.5
173.09573	1.0
177.05431	2.7
179.07062	2.0
181.04964	100.0
181.08319	4.4
182.05266	2.1
182.11765	0.7
191.10704	9.9
191.14316	1.4
194.05685	1.4
195.06523	2.3
209.08109	23.4
209.11693	7.6
209.15306	2.4
227.09099	15.3
227.12454	3.2
227.16228	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.93656	0.4
51.02373	0.5
53.03936	1.2
55.01868	1.2
55.05515	3.7
56.13257	0.4
56.67400	0.4
56.85665	0.4
56.96570	3.6
57.03419	0.7
57.07068	0.9
58.29069	0.4
63.02345	0.4
65.03927	0.6
65.25375	0.4
67.05515	2.4
69.03412	1.6
69.07068	4.7
70.06588	3.6
71.04985	0.7
71.41491	0.6
72.08160	0.9
73.02901	1.8
78.04721	3.3
79.05486	2.7
80.05010	1.0
81.03434	1.3
81.07052	1.7
83.04962	1.1
83.06119	0.4
83.08613	2.0
84.04503	3.4
84.07685	0.4
84.08121	2.1
85.02887	1.3
85.06527	0.6
87.04441	0.5
89.03907	2.1
91.05483	6.6
93.03372	0.5
93.07056	3.3
94.04156	0.6
94.06522	0.5
95.04974	4.3
95.06061	0.5
95.08584	1.5
96.08155	0.8
97.02901	1.1
97.06528	0.7
97.10168	1.3
98.20757	0.5
98.97596	0.9
99.04473	0.4
103.05473	5.4
105.03398	0.7
105.04517	0.6
105.07027	0.5
106.04163	1.8
107.04965	4.1
107.08568	0.9
109.02863	1.1
109.06535	1.1
109.50826	0.5
110.03558	0.6
110.07151	0.7
111.04435	1.3
112.05077	0.5
116.07099	3.3
116.98622	1.1
117.03397	1.6
119.01917	0.6
119.04955	1.3
121.02853	0.6
121.06506	12.8
121.07472	0.7
122.03651	1.7
122.06065	0.6
122.39635	0.5
123.04434	7.3
123.07999	0.5
124.05193	3.1
125.06023	0.5
125.09571	0.5
131.00157	0.6
131.04930	5.8
133.02858	1.7
134.03625	1.9
134.99648	0.9
135.04395	2.5
137.02277	0.6
137.05977	8.2
139.08644	0.5
140.04709	3.1
145.02820	1.0
147.04440	1.4
148.05179	1.8
149.01221	0.7
149.02293	0.7
149.05984	12.7
149.13029	0.4
151.03883	2.1
152.04691	2.4
152.07059	1.4
153.04047	1.3
153.05458	1.0
155.04626	0.9
155.07025	1.5
156.03293	1.6
158.99545	0.5
159.04413	3.9
161.01256	1.0
162.03151	0.5
163.03915	5.2
163.07549	1.0
165.05473	1.2
167.07039	100.0
168.07542	2.1
174.04399	6.4
176.04724	0.9
177.05472	26.0
178.05984	0.6
181.04958	0.9
181.08543	1.1
181.09874	0.6
185.09288	0.9
186.04408	4.9
189.00642	0.5
191.07068	1.5
192.05437	1.7
194.05750	1.8
195.06573	0.7
204.05440	8.7
209.08047	7.1
209.15384	0.5
210.47702	0.4
211.04726	0.5
222.06534	0.9
227.06886	1.7
227.08867	0.9
227.10843	0.6
227.13988	0.6
228.05403	1.2
228.09964	2.7
231.01768	0.6
245.04974	0.5
246.06528	1.1
249.02878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03940	1.7
54.18043	0.6
55.01873	6.0
55.05500	2.2
55.93462	0.5
56.96563	0.7
57.03429	1.1
65.03938	6.9
66.96281	0.5
67.05499	4.6
69.03429	1.7
69.07063	2.0
70.06583	0.5
71.04984	1.0
71.42264	1.2
73.02922	36.1
79.05489	2.6
81.03407	2.0
81.07051	1.2
82.04211	3.2
83.04985	0.7
83.08611	1.5
85.02914	5.7
85.06567	0.9
86.09705	2.1
91.03941	1.3
91.05479	3.7
93.03414	1.4
93.07040	2.1
95.04980	8.0
95.08589	1.0
97.02908	0.7
97.06523	2.2
98.97598	0.8
100.11269	6.8
103.05444	0.8
103.88994	0.5
107.04992	1.5
107.08600	1.4
108.02085	1.1
109.06522	1.0
109.10088	0.9
110.03669	3.8
111.04440	3.0
111.92507	0.6
116.98637	1.1
119.08564	0.6
120.08063	0.6
121.06533	2.6
123.04436	10.7
125.02307	2.8
125.06013	2.8
125.09641	1.7
131.04941	0.7
133.10146	0.7
137.05994	0.9
138.03114	1.8
140.04691	50.4
142.02631	2.4
148.05109	0.8
149.06000	2.2
149.13152	0.7
151.07558	0.8
152.04720	0.8
153.05441	2.0
154.06474	0.8
155.07040	58.4
156.07413	0.7
166.06306	0.8
167.03429	1.0
167.07062	16.3
171.06541	7.2
173.08102	4.8
177.05464	2.3
179.07030	3.3
181.04965	100.0
181.08446	3.1
182.05371	1.1
183.09116	0.9
195.06453	0.9
199.08769	3.8
209.08113	20.9
209.16693	0.6
227.09229	14.1
227.17676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03958	3.3
55.01851	2.8
55.05528	10.8
56.96541	3.3
57.03424	8.2
57.07082	4.2
59.04999	5.4
65.03935	2.8
67.05506	22.8
69.03429	21.9
69.07073	15.4
69.42577	14.3
69.42991	5.5
71.04993	11.0
74.92328	2.0
79.05492	21.2
81.07053	28.8
83.04979	51.8
83.08621	4.9
85.02908	5.8
85.06538	5.5
91.05476	35.0
93.07044	19.0
95.04969	20.9
95.08601	29.9
97.02879	2.7
97.06535	17.5
98.97556	3.2
99.04460	5.7
99.08106	14.9
101.06000	8.2
102.05486	2.4
103.05451	2.8
105.03378	3.4
105.07024	24.7
107.04960	6.2
107.08592	67.1
109.06516	50.5
109.10149	18.7
111.04464	19.6
111.08097	9.4
117.07024	5.3
118.04181	2.3
119.04935	20.1
119.08571	23.7
121.06515	12.5
121.10140	28.3
122.07298	6.6
123.04411	6.4
123.08063	100.0
123.11696	7.7
125.05979	5.4
125.09592	11.9
127.07568	6.1
130.07829	2.6
131.08543	5.3
133.06461	5.6
133.10130	10.0
134.99643	3.9
135.08051	10.6
135.11688	10.2
137.05997	4.4
137.09627	37.4
137.13248	3.3
139.11197	2.6
141.09100	6.0
143.08548	4.9
145.10132	16.9
147.04419	13.0
147.08038	3.7
147.11671	15.5
149.02318	2.2
149.09622	21.0
151.07521	8.6
151.11177	44.8
155.07053	3.5
156.09355	3.2
161.09618	3.6
161.13280	12.9
163.02295	2.1
163.11192	27.8
165.09076	2.7
165.12770	7.5
166.04926	2.8
167.10718	8.7
169.08470	2.3
171.11682	4.3
174.10381	3.2
175.03899	23.5
179.14302	7.6
181.08636	2.1
181.12241	8.2
183.06516	8.9
183.21489	2.2
189.12744	18.2
192.04175	9.9
193.04916	3.2
207.06531	22.4
207.10294	2.6
207.13768	40.8
225.14851	26.6
225.19611	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03930	1.3
55.01869	2.3
55.05510	13.3
57.03434	4.5
57.07066	4.5
65.03948	4.9
67.05505	8.6
68.99764	1.1
69.03420	3.5
69.07076	4.0
69.27023	10.7
71.04991	3.1
71.08628	1.6
77.03944	1.0
79.05489	8.1
81.03409	1.5
81.07054	17.0
82.07386	1.1
83.04981	100.0
83.08617	2.2
83.27343	1.2
85.02908	3.4
85.06538	3.7
89.03930	1.8
91.05482	58.1
92.05799	1.4
93.03413	1.7
93.07058	6.5
95.04961	12.5
95.08609	13.3
97.06539	2.5
98.20765	1.9
99.04460	3.4
99.08090	26.0
101.05995	2.2
103.05461	4.4
105.03392	3.2
105.07034	7.8
107.04972	5.0
107.08574	14.6
108.05740	2.3
109.06519	65.8
109.10146	6.0
111.04443	37.2
111.08102	1.4
113.09648	2.1
118.04189	4.7
119.04944	54.8
119.08575	6.7
120.05334	1.3
121.02863	2.7
121.06499	4.6
121.10133	6.7
122.03708	1.2
123.04444	10.4
123.08066	64.1
123.11661	5.2
125.05995	1.6
125.09628	17.4
127.03949	1.2
127.07570	5.2
129.03423	1.8
129.07034	1.3
131.04919	1.5
132.02072	3.4
133.02878	2.0
133.10136	2.9
135.04408	5.2
135.08017	3.3
135.11693	2.1
136.05209	2.3
137.05963	4.0
137.09631	3.6
137.13234	1.9
139.03918	3.4
139.11224	2.5
140.04784	1.0
141.07010	1.1
141.09105	5.5
145.02811	1.5
146.03648	1.7
147.04410	44.6
147.11697	5.9
148.04791	1.1
149.02339	8.0
149.05998	1.9
149.09639	12.1
151.03914	9.7
151.07507	6.3
151.11195	3.4
153.05521	1.9
153.06917	1.7
155.03374	12.3
155.07095	1.6
157.03937	4.1
161.13245	2.6
163.03944	2.9
163.11224	4.6
164.04709	4.3
165.01801	1.3
165.05513	1.9
165.09135	1.1
165.12756	22.0
167.07057	5.6
167.08430	1.3
167.10687	11.0
169.05014	3.2
169.08627	3.0
169.10117	2.3
171.11673	1.5
175.03906	73.0
176.04320	2.3
177.01849	3.3
179.07045	6.1
179.10625	1.1
179.14325	1.6
180.04254	3.7
181.06499	2.7
183.06544	3.6
185.21677	1.1
189.12740	4.0
192.04169	25.1
193.04979	4.5
195.06523	2.2
207.06528	90.8
207.13805	28.7
208.06915	2.3
225.07515	3.1
225.09239	2.1
225.11078	10.5
225.14783	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	225.1485
Annotation	Methyl epijasmonate
Peak:m/z	Relative Intensity
53.03953	4.6
55.01854	3.6
55.05512	26.4
56.96561	1.4
57.03432	5.6
57.07064	1.3
57.61942	0.9
59.04984	1.9
60.61473	0.7
63.46168	0.8
65.03928	1.7
67.05506	21.9
69.03425	7.7
69.07074	7.9
69.92059	4.2
71.04987	4.7
79.05492	23.4
81.03419	100.0
81.07059	28.4
83.04987	26.6
83.08620	30.6
83.09113	1.8
85.02888	1.9
85.06525	3.4
91.05485	32.7
93.07045	14.4
95.04972	32.6
95.08609	11.2
97.02886	3.0
97.06531	4.7
97.10173	5.5
99.04428	1.8
99.08128	2.1
105.03379	1.5
105.07033	18.7
107.04951	7.2
107.08598	6.1
109.06514	5.1
109.10125	3.2
111.04435	2.9
111.08080	12.7
113.06007	0.8
117.07015	1.9
119.04954	5.1
119.08578	16.6
121.06512	2.2
121.10143	6.7
123.08078	4.2
123.11693	1.8
125.09614	1.8
128.06232	1.2
129.07014	11.3
131.08588	11.0
133.06534	4.7
133.10136	9.3
135.08076	1.0
137.05984	1.4
137.09633	1.7
142.07784	2.9
145.10120	2.6
147.04404	2.8
147.08034	3.5
147.11696	12.8
149.09601	7.6
157.08936	1.2
157.10138	14.0
161.13235	1.3
163.11261	1.0
165.12753	2.8
167.06953	1.1
167.10725	1.8
169.10075	1.5
175.03932	5.0
175.11205	15.0
180.04105	1.1
183.11594	1.1
189.12634	1.3
192.04134	1.3
193.12244	44.4
207.06543	8.1
207.13805	1.6
225.09081	2.5
225.12764	1.5
225.14516	4.3
225.16559	2.6
225.38374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Corchoionol C
Peak:m/z	Relative Intensity
54.83251	1.2
55.05512	6.7
57.03432	3.4
57.07073	1.6
59.05016	1.9
67.05508	6.0
69.03415	2.3
69.07073	1.3
69.52869	5.1
69.53296	4.8
71.04974	2.3
79.05485	4.5
80.45892	1.3
81.03399	1.8
81.07064	10.1
83.04986	59.5
85.02921	2.2
85.06544	2.7
87.04476	1.5
91.05495	11.6
93.07036	6.7
95.04984	6.2
95.08611	13.7
97.06528	2.7
99.04462	1.4
99.08092	18.7
101.06032	1.1
105.07020	7.3
107.04949	1.6
107.08607	14.3
109.06520	47.4
109.07268	2.4
109.10142	2.6
111.04447	25.0
111.08104	1.8
117.06994	1.4
119.04954	7.2
119.08566	7.1
121.06493	6.4
121.10129	11.0
123.08072	100.0
123.11684	2.9
125.09648	12.9
127.07561	3.3
131.08627	1.7
133.10150	3.4
134.47617	1.2
135.08064	2.7
135.11703	3.6
137.09615	3.7
139.11217	1.4
141.09125	3.0
145.10193	1.8
145.71565	1.2
147.04440	4.7
147.11711	4.9
149.09593	12.5
151.07625	6.0
151.11209	4.1
161.13254	2.8
163.11157	5.8
165.12735	10.7
167.10687	9.3
169.08623	1.8
175.03908	7.8
179.07095	1.4
181.12325	2.3
183.10310	1.6
189.12755	3.3
192.04205	1.7
192.07898	1.9
207.06531	11.9
207.13800	21.2
217.21397	1.3
225.05688	1.9
225.12839	2.0
225.14854	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03943	1.4
55.01886	1.0
57.03421	0.7
65.03942	2.9
67.05490	1.2
69.07068	1.2
71.25971	0.9
71.26302	1.2
77.03943	0.9
78.09415	0.7
79.05489	1.2
81.07050	1.2
83.04967	1.0
85.02899	1.1
89.03930	1.8
90.04717	1.3
91.05483	55.7
93.07061	1.2
95.04977	5.7
95.08625	1.2
103.05473	1.4
105.03397	2.8
105.06971	1.2
107.04988	1.3
107.08539	0.9
108.05733	1.2
109.06544	1.1
109.10205	0.8
118.04159	6.5
119.04944	64.0
119.08562	1.0
121.02853	2.0
122.03735	0.9
123.04445	3.8
129.03381	1.2
131.04938	1.1
132.02090	5.0
133.02797	1.7
135.04445	2.3
136.05156	1.3
137.05989	1.1
145.02846	1.5
146.03673	1.8
147.04410	53.1
148.04851	0.9
149.02344	8.1
149.09657	1.0
153.05516	1.1
155.07065	1.2
157.04005	3.8
163.03957	1.1
163.11252	1.0
164.04688	7.2
165.05353	0.9
174.03154	2.5
175.03906	90.6
176.04277	0.8
177.01851	3.7
178.02559	0.9
179.06989	4.8
180.04410	0.9
183.06497	3.2
192.04173	27.6
193.04921	1.2
207.06528	100.0
208.07007	1.6
225.07356	2.4
225.14867	1.5
226.49669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.95177	1.3
53.03940	2.4
55.05508	7.5
57.03429	5.6
57.07064	3.8
59.05002	9.9
67.05503	23.7
69.03417	6.2
69.07069	3.9
71.05003	2.4
71.44707	2.5
76.89621	1.3
77.52995	1.2
79.05491	5.8
81.07056	22.2
81.34254	1.3
83.04963	8.7
85.02905	47.4
85.06529	8.2
90.04552	1.4
91.05477	10.5
93.07030	9.9
95.04974	5.1
95.08604	100.0
97.06540	4.1
97.10150	3.3
98.97577	4.4
99.04488	2.6
105.07029	12.5
107.04927	2.1
107.08595	14.9
107.65430	1.4
109.06513	8.5
109.10166	10.5
111.04480	2.1
111.08072	2.6
113.05968	7.0
119.04951	5.0
119.08573	10.9
121.06522	4.9
121.10126	13.0
123.04455	2.2
123.08070	39.0
123.11702	33.3
125.05968	4.7
125.09639	2.9
131.08563	3.6
133.06432	1.6
133.10135	5.9
135.08015	5.5
135.11685	8.7
136.70946	1.4
137.09619	6.5
141.09119	7.5
145.10155	3.5
147.04419	5.6
147.08078	3.8
147.11665	7.1
149.09624	23.3
151.07544	4.2
151.11142	7.0
151.14841	2.7
153.09081	1.6
156.09250	2.2
161.09615	1.9
161.13242	8.9
163.11232	5.1
165.09126	3.7
165.12801	5.1
166.34381	1.4
169.08647	2.6
171.11653	3.5
174.10408	2.4
175.03938	6.3
179.14302	4.4
189.12688	11.4
192.04195	2.3
193.05011	2.0
196.61874	1.5
200.13139	1.7
207.06569	7.5
207.13809	27.4
225.14845	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	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03945	1.4
55.01854	1.7
55.05501	1.4
56.96555	0.9
57.03417	1.2
57.07079	1.4
65.03941	4.4
67.05491	2.0
69.03411	2.8
69.07047	2.1
69.35957	7.1
71.04984	2.6
77.03927	1.2
78.04667	0.7
79.05479	3.3
80.06231	0.7
80.59177	0.6
81.03422	1.0
81.07050	3.3
83.01359	1.0
83.04980	2.7
84.04507	1.4
85.02898	1.2
85.06554	0.8
89.03900	1.5
90.04720	0.9
91.05481	59.3
92.05823	1.1
93.03409	0.9
93.07047	3.8
94.04162	0.9
94.86802	0.7
95.04977	8.4
95.08608	4.0
97.02908	0.7
97.06523	2.0
99.04442	2.4
103.05444	3.1
105.03388	3.1
105.07000	3.8
107.04947	3.2
107.08572	3.0
108.05740	0.8
109.06512	4.1
109.10151	2.6
111.08047	1.1
113.47507	0.7
117.06999	0.7
118.04164	6.2
119.04945	59.4
119.08566	3.7
121.02880	2.2
121.06482	3.0
121.10140	2.6
122.03615	0.8
123.04435	5.1
123.08070	3.7
123.11687	1.0
125.05997	3.2
125.09657	1.2
129.03319	1.6
130.07854	0.8
131.04935	1.4
132.02086	4.2
133.02847	2.1
133.10110	1.4
135.04419	3.4
135.08064	1.2
135.11716	1.3
136.05220	2.6
137.05968	2.6
137.09608	1.9
140.04700	0.8
145.02847	0.9
145.10121	1.1
146.03633	2.0
147.04414	51.2
147.08052	1.2
147.11685	0.8
149.02357	9.1
149.05966	1.2
149.09616	2.1
151.03923	1.0
151.07544	2.7
153.05518	1.7
155.07005	2.5
157.03992	4.0
161.13292	1.4
162.03152	0.8
163.03880	2.4
163.11203	5.1
164.04642	7.3
165.01811	1.0
165.05467	2.4
165.09131	1.4
167.07120	1.1
174.03062	1.7
175.03906	80.8
176.04279	1.7
177.00465	0.9
177.01852	3.5
179.07001	5.2
179.14258	1.1
180.04225	2.6
181.12253	1.4
183.06544	6.3
189.08948	0.9
189.12828	1.9
192.02444	1.5
192.04176	29.5
193.04907	3.4
207.06532	100.0
207.13760	4.9
208.06723	1.5
210.04811	1.1
212.48683	0.8
225.07388	4.4
225.14798	4.9
226.29436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08148	8.2
63.13656	2.6
70.97449	5.7
76.21096	2.6
77.65709	2.8
84.08124	3.1
95.88829	2.6
119.04913	4.2
123.04437	8.4
124.04791	6.0
125.10722	6.0
136.59448	3.5
166.05859	7.7
207.05289	24.1
225.06366	100.0
225.13435	3.5
228.43506	3.6
243.80450	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	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
50.86757	0.4
53.03947	0.5
53.84081	0.4
58.06612	0.6
60.08163	100.0
61.08499	0.7
69.51859	3.3
69.52268	0.9
91.05476	5.9
93.07050	0.9
95.04967	27.1
103.05492	2.6
109.06512	1.2
119.04940	36.8
120.05200	0.4
121.06557	2.2
123.04427	89.9
124.04765	1.4
137.05998	1.0
147.03210	1.1
147.04408	28.7
165.05473	73.8
166.05835	1.5
217.27057	0.5
224.12813	56.9
225.13155	1.6
232.12614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
56.05017	0.4
56.96571	1.9
62.66772	0.4
65.32490	0.4
67.05495	0.5
69.46024	1.1
69.46442	2.1
70.63162	0.4
73.00674	0.4
82.99867	0.6
84.96038	1.5
95.08596	0.5
98.97589	1.6
101.00870	5.1
105.14568	0.4
116.98632	1.7
119.01920	54.6
119.59688	0.4
120.02051	1.7
122.97852	0.6
134.99797	4.7
137.02959	30.7
138.03055	0.9
140.98871	1.1
142.03496	4.2
143.03806	0.5
153.00940	3.9
158.06680	0.6
158.99860	3.1
159.56006	0.4
160.04549	1.8
161.02968	1.0
161.04709	0.4
168.21675	0.4
171.98807	0.4
175.03072	0.6
176.02542	0.5
177.00954	100.0
178.01048	7.0
179.00807	1.8
179.03995	1.7
182.99886	1.3
183.06190	0.7
184.04413	0.6
187.99200	0.5
190.49585	0.5
193.04065	1.9
195.02011	2.6
199.03036	0.5
199.50060	1.5
200.02542	1.8
201.00873	4.3
201.07228	0.5
202.05551	0.6
211.01004	0.5
217.04076	9.9
218.03798	0.8
219.02002	85.0
220.02124	10.6
221.01872	0.9
225.00809	4.4
231.13695	0.4
234.00876	0.4
237.02943	0.7
242.03552	2.1
243.01952	10.9
243.04276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
60.08163	87.4
69.54093	3.5
69.54510	1.4
72.76213	0.6
77.03893	0.7
84.55517	0.7
87.54636	0.7
91.05466	6.0
93.07060	1.4
95.04967	26.7
103.05473	2.6
109.06506	1.4
115.01393	0.7
119.04943	40.4
121.06487	2.9
123.04425	100.0
124.04755	1.2
136.83539	0.6
137.06023	0.9
147.04407	32.5
164.07059	0.8
165.05473	55.4
166.36012	0.6
198.07166	0.7
207.05246	1.6
209.29063	0.7
224.01758	0.9
224.09299	1.5
224.12811	36.8
225.06429	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	224.0918
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
50.50524	0.8
55.05503	1.3
56.96562	3.9
59.06121	1.3
60.00324	0.8
60.04511	1.5
60.08167	10.6
64.63010	0.7
69.81242	5.2
70.06592	2.6
71.04980	1.0
72.08159	1.4
74.02441	0.8
74.06087	0.9
77.96938	0.7
79.05502	3.3
81.03435	1.1
81.07055	1.0
82.06613	0.9
83.05000	0.9
83.06086	1.0
84.08150	2.5
85.02908	1.2
86.06049	1.0
86.09708	1.1
88.04010	0.8
91.05492	5.1
94.06566	1.6
95.04981	5.9
95.06102	0.8
95.08619	1.0
96.04565	1.0
96.16845	0.8
97.02944	1.0
98.97586	1.1
103.05479	6.4
105.03429	0.9
105.07035	20.7
107.04974	2.7
109.02905	1.3
109.06501	1.2
110.06056	1.9
110.07210	1.0
111.04455	1.4
112.07581	0.8
115.05469	2.8
116.98662	0.8
117.05043	0.8
117.05755	5.5
118.06509	1.6
119.04963	5.1
119.07327	3.4
119.08598	0.8
120.08144	2.1
121.06518	1.2
122.06010	1.2
123.04436	12.3
127.03958	1.1
130.06540	5.3
131.04941	2.1
132.08095	100.0
133.06509	2.2
133.08398	1.7
134.99698	1.7
136.06250	0.9
136.07600	3.4
137.05984	1.0
147.04414	5.4
149.05963	1.0
150.09081	1.7
160.07602	2.3
160.09555	1.4
161.06013	1.6
163.02763	0.9
163.10042	0.8
164.07050	1.2
165.05498	8.3
166.09744	1.2
178.08641	79.1
179.09015	1.6
192.08824	2.1
198.99243	1.0
201.00690	1.0
206.08109	2.3
207.06619	1.2
219.01881	1.2
224.04582	1.2
224.06975	1.5
224.09206	6.0
224.10905	1.0
224.12982	6.4
224.17052	1.4
226.04243	1.2
227.04282	0.9
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	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03942	2.4
55.01869	3.0
55.05511	21.8
57.03424	6.9
59.04993	2.6
67.05499	7.2
68.99775	2.4
69.03435	8.7
69.07078	12.2
70.66525	4.4
71.04983	2.2
76.71314	1.6
77.43958	1.7
79.05490	5.8
81.03401	4.1
81.07048	8.0
83.01336	2.6
83.04978	16.5
85.02910	43.5
85.06542	4.0
91.05483	14.7
93.07043	25.1
95.04971	16.2
95.08614	11.0
97.06516	3.2
97.10161	20.1
98.54752	1.6
105.07042	10.2
105.37509	1.7
107.04963	4.5
107.08575	12.5
109.06505	11.8
109.10157	4.7
111.04384	2.6
111.08131	8.3
113.06043	2.6
117.06995	4.9
119.08569	15.1
121.06509	38.6
121.10142	10.3
123.08058	10.4
125.05957	2.0
125.09622	2.2
127.07516	2.4
131.08580	5.2
133.10149	14.9
135.08083	12.3
135.11649	14.3
137.09598	6.2
139.07513	8.6
144.09328	2.9
145.10117	10.5
147.08083	3.6
149.09608	21.7
149.13217	2.6
151.11200	4.9
159.11699	19.2
161.09639	7.0
162.03165	3.2
163.03885	1.9
163.11198	14.6
165.09081	7.7
167.07077	4.7
177.12732	22.0
179.10690	7.4
181.12236	3.5
187.11159	6.7
190.02650	2.9
195.13826	8.2
205.12251	28.2
206.12540	2.2
208.03644	2.2
223.05942	10.6
223.13293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03935	0.9
55.01870	1.4
55.05508	5.0
56.96559	0.7
57.07063	0.6
60.24788	0.3
60.41747	0.3
65.03934	1.2
67.05505	5.7
67.92014	0.3
69.03427	0.7
69.07069	3.3
69.86658	1.5
71.04995	1.5
79.05489	5.9
81.03416	3.5
81.07059	9.3
83.04979	2.5
83.08617	2.0
85.02912	2.9
85.06533	1.1
91.05482	4.7
93.07037	5.1
93.55187	0.3
95.04966	100.0
95.08604	6.3
96.05315	0.7
97.06548	1.7
97.18613	0.3
98.20775	0.6
99.04440	0.5
101.60126	0.3
103.05468	0.3
105.07031	3.2
107.04956	1.7
107.08578	2.9
109.06531	3.6
109.10165	0.8
111.04443	0.4
111.08050	0.9
113.06025	0.3
114.46642	0.3
117.07014	3.1
119.08580	3.6
121.06511	3.8
121.10146	3.0
123.08085	3.2
125.00819	0.3
125.09607	0.5
129.07019	0.9
131.08556	1.9
133.06480	0.3
133.10132	0.9
134.99677	0.4
135.04440	0.5
135.08044	1.6
135.11682	3.0
139.07541	0.5
141.07002	0.5
143.08601	0.8
145.06514	0.4
145.10117	6.2
147.08047	3.9
149.02307	0.7
149.05925	0.3
149.09619	0.9
149.13309	0.5
150.08804	0.3
154.07840	0.3
159.11710	2.3
161.09634	1.1
163.11183	13.7
165.09111	0.4
167.05640	0.3
167.84152	0.3
169.10159	1.0
177.12743	1.7
177.16397	0.5
181.12270	0.3
187.11179	2.2
190.02608	0.6
205.12228	2.1
205.15895	0.5
207.03009	0.4
208.03708	0.4
223.05954	2.3
223.11287	0.6
223.13222	4.8
223.16731	2.1
223.20601	0.6
230.47093	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.85966	2.1
53.03946	8.4
55.01865	8.4
55.05509	20.6
56.96568	7.5
57.03434	6.4
57.07074	7.0
59.05001	13.6
61.02916	3.2
65.03933	3.4
67.05504	19.4
69.03433	28.8
69.07069	14.6
70.06601	3.2
71.04992	5.1
71.59708	4.3
72.93789	3.9
73.02910	3.0
78.04755	3.7
79.05504	20.4
81.03426	9.3
81.07061	21.7
83.04982	32.5
83.08615	6.2
84.08146	4.8
85.02879	12.1
85.06563	6.8
86.09721	4.3
87.04491	2.5
91.05035	1.3
91.05483	46.5
93.07046	100.0
95.04971	35.6
95.08611	19.4
97.02896	7.6
97.06541	9.0
98.97584	8.7
99.04510	3.3
103.05466	7.4
105.07034	41.9
107.04951	24.9
107.08597	40.4
109.02867	3.5
109.06528	27.6
109.10147	11.7
111.04430	5.6
111.08086	14.8
113.06007	7.7
115.05464	7.2
116.98622	6.1
117.07001	12.5
119.04940	4.6
119.08587	32.3
120.08112	4.4
121.02880	5.4
121.06513	98.6
121.10148	49.0
122.07167	2.1
123.04445	7.2
123.08054	16.8
123.11703	2.8
125.05938	2.9
125.09640	9.2
127.03935	3.4
127.07560	5.5
129.07019	8.5
130.07777	3.4
131.04929	5.3
131.08548	17.3
133.06512	5.9
133.10133	17.4
134.03633	2.2
134.99651	3.9
135.04433	9.1
135.08063	27.0
135.11676	15.2
137.06023	5.3
137.09604	14.9
139.03922	3.6
139.04993	4.4
139.07549	18.2
142.07825	3.3
143.08578	3.7
144.09337	4.6
145.06511	13.2
145.10124	19.7
147.04413	5.1
147.08055	11.6
147.11690	5.3
149.02405	7.1
149.05992	9.4
149.09619	74.2
149.13222	5.5
151.07574	4.2
151.11234	3.2
153.05553	3.5
153.09108	18.0
157.08791	3.3
157.10158	8.3
158.41216	2.4
158.99681	3.2
159.08090	5.7
159.11693	38.9
161.05966	3.8
161.09624	21.6
162.03149	7.1
162.06737	2.4
162.10359	3.7
163.03830	13.0
163.07545	8.8
163.11191	26.5
165.05536	3.1
165.09065	13.2
167.05692	5.5
167.07034	27.3
167.08383	3.9
172.08856	8.5
173.06116	2.2
175.07506	2.6
175.11154	19.6
177.00641	5.0
177.05516	4.1
177.09096	7.0
177.12706	33.2
179.10681	18.1
181.08653	2.9
181.12218	5.6
187.11191	26.7
190.02603	8.3
191.05588	3.2
191.07137	5.1
193.08597	5.1
193.12308	7.4
205.08650	6.8
205.12183	48.7
207.02943	5.6
208.03687	7.6
223.02496	2.9
223.04036	2.1
223.06000	40.6
223.07808	2.7
223.09689	5.5
223.11446	3.1
223.13271	71.0
223.16653	21.9
224.06483	2.7
225.04355	6.8
227.02240	3.2
234.99057	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03944	2.1
55.01864	2.8
55.05515	9.4
56.96554	3.9
57.03426	2.5
57.07069	3.6
59.02385	1.9
59.05002	2.1
67.05499	6.8
69.03429	9.3
69.07057	7.1
70.99892	5.5
71.04985	4.3
79.05481	10.8
81.03417	3.8
81.07043	8.7
83.04978	17.0
84.38966	2.1
85.02884	12.2
85.06533	3.2
87.16017	1.9
91.05471	12.4
93.07044	32.2
95.04983	13.8
95.08603	8.3
97.06592	2.8
97.10166	7.1
98.97583	5.7
105.07040	18.3
107.04932	9.9
107.08579	19.3
109.06516	28.6
109.10168	3.4
111.08084	9.2
113.05988	8.3
116.98642	2.0
117.07008	5.6
119.05032	2.2
119.08575	16.9
121.06499	41.9
121.10131	18.4
123.04421	2.9
123.08067	10.3
125.05988	2.2
125.09684	2.4
131.08583	5.5
133.10141	6.6
135.08044	24.9
135.11667	10.0
137.09581	12.5
139.07559	6.2
143.08534	3.3
144.09334	2.5
145.10118	8.9
146.00243	2.0
146.07303	2.8
147.08061	6.1
149.05937	4.3
149.09619	100.0
151.11218	5.3
153.09138	3.8
159.11705	19.1
161.09628	20.4
162.03183	2.7
163.03929	5.5
163.07549	2.4
163.11159	16.6
165.09120	10.6
167.07037	5.6
172.08858	4.7
177.12766	24.2
179.10698	15.2
181.12276	4.0
187.11182	12.9
190.02658	3.1
202.06754	2.7
205.12239	37.8
208.03770	3.2
223.02405	4.1
223.05937	22.3
223.13326	48.4
223.16928	8.1
225.04266	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	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
50.58708	0.2
53.03936	1.0
55.01872	0.9
55.05508	1.9
56.96551	1.3
57.03416	1.0
57.07081	0.5
59.05007	0.4
65.03938	0.7
67.05486	1.0
68.99804	0.3
69.03414	1.1
69.07045	1.3
70.06574	0.4
71.60007	0.5
72.08139	0.5
78.04713	3.4
79.05489	3.2
80.97627	0.3
81.03406	1.0
81.07061	2.4
82.04146	0.3
83.05001	1.6
83.08601	0.5
84.04504	0.7
84.08154	0.8
85.02895	1.1
88.01231	0.3
89.03919	0.9
91.05486	3.8
93.07050	2.0
95.04969	1.9
95.08598	1.4
97.02879	0.7
97.06543	0.8
98.97574	1.1
103.05445	0.7
105.03406	1.1
105.07028	1.7
106.04167	1.7
107.01369	0.4
107.04956	17.7
107.08598	2.7
109.06546	1.6
109.10127	0.6
110.06890	0.3
111.05605	0.4
111.08079	0.9
115.05418	0.5
116.98586	1.2
117.07020	1.4
118.04159	0.4
119.04956	0.7
119.08578	1.5
120.02097	0.4
120.08043	0.4
121.02880	0.7
121.06500	1.8
121.10133	1.4
123.04417	1.3
123.08060	1.1
123.11742	0.4
125.02241	0.3
125.06024	0.3
125.09616	0.8
131.04903	1.0
131.08586	0.5
133.02835	0.8
133.06508	0.3
133.10095	0.7
134.03654	5.4
134.99709	0.5
135.04434	6.5
135.08035	1.0
135.11703	0.8
136.07550	0.6
137.06035	0.7
137.07938	1.8
137.09613	1.0
139.05032	0.7
139.07558	0.9
145.02872	0.6
145.03972	1.0
145.06514	1.7
145.10112	1.0
147.04408	1.1
147.06697	0.3
147.08012	0.7
148.60478	0.3
149.01314	0.3
149.02327	1.6
149.05965	0.8
149.09613	1.3
149.13281	0.5
150.03088	0.4
151.11111	0.4
153.05498	0.4
153.09085	0.5
156.88380	0.3
158.99609	0.3
159.08061	0.4
159.11685	1.4
161.02351	0.6
161.06000	0.4
161.09436	0.3
162.03127	21.0
163.03914	11.0
163.07539	1.3
163.11163	1.9
164.04605	0.3
165.01855	0.9
165.09122	0.9
166.70477	0.3
167.05782	0.6
167.07054	2.2
175.11044	0.4
177.05490	0.6
177.09091	1.0
177.12769	1.8
178.02638	0.7
179.03391	6.1
179.07018	0.9
179.10667	0.6
180.04132	2.1
181.12241	0.4
187.11189	1.0
190.02612	22.8
191.03307	1.3
193.01340	2.3
193.12219	0.4
194.02124	2.5
195.06496	1.9
195.11299	0.4
200.04823	0.7
200.55167	0.3
205.01305	0.6
205.05093	0.5
205.08624	1.3
205.12294	2.3
207.02899	10.7
208.03670	16.3
209.05463	0.9
209.55534	0.7
223.06015	100.0
223.13261	4.2
223.16844	2.3
224.06390	2.7
225.04250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58708	0.2
53.03936	1.0
55.01872	0.9
55.05508	1.9
56.96551	1.3
57.03416	1.0
57.07081	0.5
59.05007	0.4
65.03938	0.7
67.05486	1.0
68.99804	0.3
69.03414	1.1
69.07045	1.3
70.06574	0.4
71.60007	0.5
72.08139	0.5
78.04713	3.4
79.05489	3.2
80.97627	0.3
81.03406	1.0
81.07061	2.4
82.04146	0.3
83.05001	1.6
83.08601	0.5
84.04504	0.7
84.08154	0.8
85.02895	1.1
88.01231	0.3
89.03919	0.9
91.05486	3.8
93.07050	2.0
95.04969	1.9
95.08598	1.4
97.02879	0.7
97.06543	0.8
98.97574	1.1
103.05445	0.7
105.03406	1.1
105.07028	1.7
106.04167	1.7
107.01369	0.4
107.04956	17.7
107.08598	2.7
109.06546	1.6
109.10127	0.6
110.06890	0.3
111.05605	0.4
111.08079	0.9
115.05418	0.5
116.98586	1.2
117.07020	1.4
118.04159	0.4
119.04956	0.7
119.08578	1.5
120.02097	0.4
120.08043	0.4
121.02880	0.7
121.06500	1.8
121.10133	1.4
123.04417	1.3
123.08060	1.1
123.11742	0.4
125.02241	0.3
125.06024	0.3
125.09616	0.8
131.04903	1.0
131.08586	0.5
133.02835	0.8
133.06508	0.3
133.10095	0.7
134.03654	5.4
134.99709	0.5
135.04434	6.5
135.08035	1.0
135.11703	0.8
136.07550	0.6
137.06035	0.7
137.07938	1.8
137.09613	1.0
139.05032	0.7
139.07558	0.9
145.02872	0.6
145.03972	1.0
145.06514	1.7
145.10112	1.0
147.04408	1.1
147.06697	0.3
147.08012	0.7
148.60478	0.3
149.01314	0.3
149.02327	1.6
149.05965	0.8
149.09613	1.3
149.13281	0.5
150.03088	0.4
151.11111	0.4
153.05498	0.4
153.09085	0.5
156.88380	0.3
158.99609	0.3
159.08061	0.4
159.11685	1.4
161.02351	0.6
161.06000	0.4
161.09436	0.3
162.03127	21.0
163.03914	11.0
163.07539	1.3
163.11163	1.9
164.04605	0.3
165.01855	0.9
165.09122	0.9
166.70477	0.3
167.05782	0.6
167.07054	2.2
175.11044	0.4
177.05490	0.6
177.09091	1.0
177.12769	1.8
178.02638	0.7
179.03391	6.1
179.07018	0.9
179.10667	0.6
180.04132	2.1
181.12241	0.4
187.11189	1.0
190.02612	22.8
191.03307	1.3
193.01340	2.3
193.12219	0.4
194.02124	2.5
195.06496	1.9
195.11299	0.4
200.04823	0.7
200.55167	0.3
205.01305	0.6
205.05093	0.5
205.08624	1.3
205.12294	2.3
207.02899	10.7
208.03670	16.3
209.05463	0.9
209.55534	0.7
223.06015	100.0
223.13261	4.2
223.16844	2.3
224.06390	2.7
225.04250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03940	0.7
53.45444	0.4
54.69197	0.3
55.05506	0.9
56.96561	0.6
58.26188	0.3
61.02915	0.4
65.03945	0.5
67.05496	0.9
68.05045	0.3
69.03412	1.0
69.07062	0.5
69.97279	1.8
71.04993	0.4
78.04712	2.8
79.05501	2.8
81.03415	0.7
81.07048	0.8
83.04966	1.1
85.02934	0.8
89.03905	0.7
91.05473	2.0
93.07031	2.6
95.04964	1.7
95.08575	1.0
97.06535	0.5
98.97573	0.6
103.05376	0.4
105.03388	1.1
105.07045	1.2
106.04144	2.2
107.04961	15.5
107.08582	1.4
109.02943	0.3
109.06540	0.5
109.10196	0.4
111.04440	0.3
111.08057	0.9
117.07005	0.7
119.08571	1.3
119.59346	0.4
120.08144	0.4
121.06505	3.2
121.10142	2.1
123.04464	0.5
123.08077	1.4
133.02827	1.0
133.10049	0.7
134.03630	4.4
135.04442	6.2
135.08041	1.4
135.11687	0.9
137.02315	0.5
137.06013	0.5
137.09590	1.0
139.07549	0.5
141.08521	0.4
143.48761	0.3
145.03993	0.6
145.10115	0.5
149.02359	0.8
149.05968	0.7
149.09576	0.8
150.03082	0.4
151.03928	0.5
159.11700	1.2
161.02324	0.7
162.03133	22.4
163.03915	10.3
163.11189	2.6
165.01820	1.0
165.09111	1.3
167.07066	1.1
171.99144	0.4
177.12741	1.3
178.02600	0.5
179.03421	5.4
179.06996	0.9
179.10725	0.5
179.16179	0.7
180.04135	1.7
190.02621	23.1
191.03145	0.9
193.01329	2.1
194.02042	1.7
195.06477	1.1
195.08076	0.4
205.01373	0.6
205.12280	2.2
207.02898	8.5
208.03673	14.5
223.06020	100.0
223.13214	2.8
223.16954	1.1
224.06320	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.05513	70.3
56.96568	0.6
58.99590	5.0
69.79044	1.9
69.79453	1.1
72.08160	0.6
74.51169	0.4
76.02228	1.9
81.07071	0.8
83.08620	100.0
84.08956	0.8
86.99049	4.2
88.03990	0.6
98.48181	0.5
98.97575	0.9
101.09654	15.2
103.05496	2.2
105.00092	7.2
116.98577	0.6
122.02719	1.4
129.10289	0.4
130.06514	0.7
131.04926	4.7
135.04375	0.6
136.07553	0.6
147.04414	0.9
159.08318	1.0
163.07541	2.2
176.07014	1.1
180.78757	0.5
187.07874	1.1
190.08638	0.5
205.07108	0.8
205.08957	14.3
205.10866	1.0
207.08778	0.5
222.07635	0.9
222.11324	4.6
222.14798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75549	1.3
71.58472	1.7
75.76765	1.6
76.63290	1.4
95.06866	2.3
114.57796	1.4
132.57396	1.2
136.40268	1.3
192.81403	1.2
219.31441	1.2
223.02312	8.7
223.04779	100.0
224.01678	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	222.1124
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
53.03924	0.6
55.05498	1.2
56.05021	0.6
56.96566	3.4
59.06107	0.5
65.03918	1.0
65.22002	0.5
67.05497	0.8
68.05009	1.3
69.03417	0.9
69.07059	0.6
69.94334	3.4
70.06594	3.1
72.08130	1.1
73.02912	1.0
74.06055	0.5
75.62045	0.5
79.05473	2.0
81.07039	0.9
83.06099	1.0
84.08112	0.5
85.02910	0.8
86.06067	0.5
88.16878	0.6
91.05479	3.5
92.05815	0.6
93.07035	1.3
95.04984	0.9
95.06113	0.9
97.02916	0.6
98.07204	0.7
98.97599	3.3
105.07005	1.0
107.04946	1.2
107.08546	1.4
109.06500	1.4
109.07638	0.7
109.63455	0.5
110.09657	1.0
111.08025	0.7
116.07090	1.8
116.98614	3.1
117.05769	2.2
117.07000	1.4
118.06548	4.7
119.04951	0.7
119.07330	2.7
119.08574	1.5
120.08102	0.5
121.02824	0.6
121.06476	1.0
123.08033	0.6
128.02249	0.6
130.06517	1.8
131.04945	1.0
131.07297	2.2
132.04427	1.2
132.08093	1.1
134.09639	12.9
134.99655	3.4
135.04424	1.0
135.08070	0.8
137.06035	0.6
144.08075	8.5
145.08847	4.4
146.09625	2.1
147.04411	0.7
147.10393	0.8
149.05959	0.9
151.12352	0.7
160.11214	46.3
161.05879	0.8
162.06316	2.0
163.03870	1.2
163.07635	0.6
174.09142	27.5
175.03995	0.6
176.07005	5.3
177.00667	2.3
177.07829	1.2
186.05513	0.6
192.10178	45.4
193.10336	0.7
194.05556	0.7
204.10153	5.2
222.07660	4.3
222.11246	100.0
223.06038	1.9
223.11641	1.6
225.04199	0.9
227.01859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85694	1.0
53.26746	1.0
54.21627	1.0
54.21926	1.0
69.90791	3.5
69.91207	2.0
71.07359	3.5
75.81129	0.9
86.09711	22.5
94.06561	5.3
98.20860	1.9
103.84116	0.9
104.10751	2.1
162.94621	22.2
222.01979	100.0
223.02634	1.1
223.04848	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	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03929	2.6
55.01863	2.9
55.05514	19.1
56.96551	8.1
57.03434	2.1
57.07063	9.1
59.04983	2.4
59.91091	2.4
63.14034	2.0
65.03932	5.3
67.05502	23.8
69.03426	4.7
69.07061	19.6
69.64787	14.1
70.06592	2.7
71.04991	27.2
72.08150	8.8
72.08539	1.9
79.05490	27.2
81.07053	83.0
83.04967	6.1
83.08617	9.5
85.02872	2.4
85.06553	4.0
85.14264	1.9
91.05475	28.2
93.07041	55.0
95.04977	6.4
95.08607	50.0
96.08132	4.6
97.02943	2.8
97.06547	5.7
97.10168	4.4
98.20842	4.7
98.25681	2.0
99.08097	5.2
103.05481	7.0
105.07026	51.9
106.06631	2.1
107.04935	5.7
107.08592	79.8
109.06524	8.0
109.10145	40.8
110.07117	3.2
111.08091	7.1
115.05432	10.5
115.78949	2.5
117.07031	8.4
119.04958	2.3
119.07706	3.1
119.08578	64.6
121.06528	6.2
121.10143	25.0
123.08054	7.8
123.11691	24.7
124.07607	13.1
125.09612	5.2
127.11182	7.5
129.07004	3.3
131.04944	8.8
131.08569	5.8
133.06494	14.3
133.10135	41.2
134.99608	3.4
135.08029	9.5
135.11682	100.0
136.91142	2.0
137.06007	15.9
137.09602	8.0
137.13210	3.0
139.11174	2.4
141.06953	2.5
142.07800	2.5
143.04926	4.5
143.08597	3.2
145.10139	2.8
147.04396	3.9
147.08057	4.3
147.11685	32.1
149.02347	2.4
149.09593	2.5
149.13211	5.5
151.03894	20.0
151.07533	2.7
151.11171	7.0
153.05444	4.3
157.10150	3.3
159.11681	4.2
160.05258	4.9
161.05980	24.1
161.09647	6.6
161.13271	21.7
163.07504	4.2
163.11169	3.4
163.14815	6.0
163.81418	2.4
165.05498	3.5
165.06931	3.8
165.09035	2.7
165.12730	5.6
175.02699	4.6
175.07564	13.6
175.11079	4.1
175.14812	10.0
176.04715	2.6
176.07114	3.4
176.14337	9.6
177.05534	4.2
177.09109	46.8
177.16380	4.4
178.02693	2.2
178.07813	2.9
179.07068	2.5
185.13373	2.6
188.08432	2.0
189.05472	4.9
189.09149	2.4
191.07028	4.5
193.08612	9.0
193.12126	3.1
203.03389	2.4
203.06990	6.4
203.10712	5.1
203.14349	4.1
203.17964	40.7
221.04414	8.2
221.07986	17.4
221.11630	10.5
221.13443	4.0
221.15491	16.2
221.19058	51.7
222.11130	5.0
222.14928	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03939	1.5
55.01862	2.4
55.05511	14.4
56.96560	3.9
57.03433	2.1
57.04943	1.0
57.07068	6.0
59.05001	1.8
60.37672	1.0
61.21545	1.2
65.03942	2.4
67.05507	16.3
69.03426	2.4
69.07068	15.4
70.41699	1.1
71.04993	16.7
71.78970	1.2
74.68835	1.0
79.05060	2.1
79.05488	20.5
81.03450	1.3
81.07056	61.7
83.04974	4.3
83.08625	5.8
85.06518	2.7
86.99824	1.2
87.02975	1.1
91.05483	18.3
93.07045	42.6
93.07636	2.4
94.29422	1.1
95.04954	5.0
95.06096	1.3
95.08607	36.5
97.02928	1.3
97.06530	3.7
97.10155	2.2
98.20728	2.6
99.08086	4.6
103.05470	1.9
105.03436	1.3
105.07031	34.4
107.08598	67.3
109.06525	7.2
109.10162	25.8
111.04479	1.7
111.08095	5.0
111.11694	1.1
113.09620	1.9
115.05437	7.1
117.07040	6.3
118.06564	5.4
119.01890	3.0
119.04937	1.2
119.06867	4.9
119.08582	48.6
120.08133	1.4
121.06496	4.6
121.10152	14.5
122.65470	1.1
123.08092	5.6
123.11710	20.6
125.09616	3.3
127.11192	4.2
128.06213	1.4
129.06996	2.4
130.06516	1.9
131.04901	3.9
131.08557	3.3
133.06502	7.4
133.10136	32.7
134.99641	2.3
135.08099	5.5
135.11694	100.0
137.05975	6.4
137.09633	7.8
137.13223	3.3
141.07014	1.4
143.04976	1.7
143.08507	3.4
145.10115	4.6
147.04390	2.7
147.08061	4.1
147.09953	1.7
147.10423	1.4
147.11682	25.7
149.02339	13.9
149.13287	7.0
151.07487	2.8
151.11180	5.1
157.10172	2.0
158.06029	1.5
159.11697	2.9
160.05206	2.3
161.06010	12.9
161.09615	3.9
161.13252	16.9
162.06725	1.8
162.09189	3.0
163.07552	1.9
163.09508	3.6
163.11235	1.5
163.14832	5.1
165.06956	1.9
165.09132	3.7
165.12726	3.3
175.07503	10.2
175.08727	1.5
175.11234	3.0
175.14828	5.5
176.14326	2.8
177.05556	2.4
177.09126	32.9
177.14696	20.1
177.16173	1.5
178.15849	1.8
179.10698	2.6
185.13264	1.6
189.05414	2.1
189.09088	1.3
191.12614	1.9
193.08574	3.9
193.15903	1.5
203.03302	2.1
203.07004	4.4
203.10765	2.9
203.14185	5.5
203.16042	1.9
203.17960	33.4
206.05675	1.2
221.04401	2.2
221.06151	1.9
221.07962	6.7
221.11700	7.9
221.15402	8.0
221.17296	77.1
221.19063	36.9
222.11282	5.2
222.15074	1.2
222.18495	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05510	13.0
56.96553	1.5
57.03440	1.6
57.07066	3.4
59.04995	1.2
65.03922	1.3
67.05508	10.4
69.03439	1.3
69.07075	10.6
69.41488	4.1
69.41912	5.6
71.04993	18.4
73.06551	1.1
79.05496	16.7
81.07058	50.7
83.04979	3.4
83.08610	4.6
85.06522	2.1
91.05486	11.1
93.07044	35.4
95.04964	4.4
95.08603	29.6
97.06528	2.4
97.10178	2.8
98.20768	1.7
99.08099	4.0
105.07028	27.4
107.08595	54.1
108.08899	0.9
109.06512	3.5
109.10155	20.3
111.08089	4.1
115.05399	2.3
116.98599	2.0
117.07011	3.0
119.08588	41.6
121.10146	9.4
123.08070	2.4
123.11703	16.0
125.09615	1.2
127.11195	4.1
129.07024	1.1
131.04962	2.2
131.08583	1.5
133.06516	3.6
133.10136	24.7
135.08063	2.8
135.11693	100.0
136.11986	1.5
137.06021	2.8
137.09637	4.2
137.13232	2.3
139.11183	1.1
145.10152	3.7
147.08003	1.5
147.11682	22.8
149.13260	7.6
149.66599	1.2
151.03865	1.9
151.11200	3.7
153.12871	1.3
159.11682	2.1
161.05968	7.5
161.09653	3.6
161.13248	13.0
163.07549	1.5
163.14780	3.8
165.12735	3.1
175.07498	2.3
175.11122	1.9
175.14856	4.5
176.07268	1.2
177.09097	8.2
177.16368	1.9
179.10655	1.4
189.05550	1.3
189.09172	1.3
191.07127	1.3
193.08606	2.3
203.07051	1.9
203.14346	1.9
203.17957	34.7
221.04385	2.4
221.06287	1.6
221.08081	5.7
221.11789	3.0
221.15448	4.7
221.19032	41.6
231.45023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1902
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.88473	2.1
55.05516	16.8
56.96565	3.4
57.03431	2.2
57.07073	4.2
61.74846	2.2
67.05505	12.6
69.07076	17.4
71.04998	25.1
71.27605	2.4
77.55143	2.2
79.05489	19.7
80.14009	2.2
81.07063	74.2
83.04981	4.2
83.08619	8.8
91.05463	13.0
93.07049	43.8
95.04973	4.2
95.08612	37.8
97.06522	4.0
97.10156	2.8
98.21628	4.8
101.42063	2.3
105.07041	36.3
107.08598	65.9
109.06495	4.5
109.10158	35.4
111.08099	3.7
117.06995	3.0
119.08586	41.2
121.10152	11.7
123.08134	3.0
123.11727	16.5
125.09639	3.5
127.11207	3.3
130.75208	2.2
131.08571	2.9
133.10143	30.2
135.11699	100.0
137.09631	4.1
137.13301	3.2
139.11243	3.1
145.10176	2.6
147.11688	27.1
149.13261	12.6
151.11194	3.6
151.85162	2.7
159.11700	2.5
161.06024	6.7
161.08286	2.5
161.09613	3.7
161.13231	12.3
163.14833	7.9
165.01794	3.0
175.07637	2.6
175.14944	4.4
177.09149	7.9
177.16388	4.2
203.17944	43.9
221.08095	4.2
221.15518	4.3
221.19029	66.2
224.96143	2.2
229.78294	3.0
231.21860	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03942	4.2
55.01863	4.7
55.05510	19.1
56.96573	4.4
57.03424	1.9
57.07070	6.1
59.04995	2.8
65.03934	3.0
67.05506	23.3
69.03422	3.9
69.07069	18.5
70.06593	3.5
71.04993	21.2
71.60662	2.7
73.02914	3.0
79.05495	26.9
81.07056	77.4
82.88773	1.4
83.04972	5.7
83.08646	8.4
85.02911	1.9
85.06545	3.6
88.07648	2.0
90.54829	1.6
91.05479	29.9
93.07044	46.2
95.01289	1.6
95.04953	9.8
95.08609	39.2
97.02894	3.3
97.06532	6.3
97.10178	3.7
99.04483	2.9
99.08085	3.2
103.05457	3.2
104.68176	1.6
105.07031	49.8
107.04958	5.8
107.08596	71.8
108.09017	1.8
109.06500	8.0
109.09457	2.8
109.10158	33.6
111.04447	2.5
111.08073	7.8
111.11720	1.8
115.05453	10.6
117.07016	9.7
119.04966	2.9
119.08586	59.6
121.06508	5.8
121.10150	22.1
123.04485	1.8
123.08067	8.7
123.11714	25.4
125.06001	3.6
125.09628	2.3
127.11182	4.5
128.06215	2.6
129.06981	4.4
131.04919	6.4
131.08575	7.7
132.05688	2.0
133.06465	13.9
133.10132	36.3
135.08090	12.1
135.11693	100.0
137.05991	20.2
137.09599	7.2
137.13248	4.0
141.05470	3.0
142.07779	2.6
143.04936	5.5
143.08554	4.6
145.06508	1.9
145.10147	7.5
147.04434	3.6
147.08049	6.8
147.11688	30.8
149.02298	2.8
149.05910	1.9
149.09641	3.7
149.13251	10.1
151.03902	32.6
151.05083	2.0
151.07538	4.5
151.11160	7.8
153.05429	2.6
157.06528	2.0
157.10161	4.0
158.06023	1.8
159.04544	1.7
159.08089	6.4
159.11658	5.0
160.05241	5.1
160.08795	3.7
161.05984	20.6
161.09627	9.6
161.13239	18.9
162.06754	2.1
163.07574	2.9
163.11177	3.1
163.14879	6.0
165.05522	1.6
165.07002	2.4
165.09134	3.7
165.12672	2.9
171.04387	2.2
175.07521	11.6
175.11191	12.4
175.14839	10.1
176.04654	1.9
177.05534	2.0
177.09102	45.3
177.16364	2.9
178.15993	2.0
179.10657	4.7
179.14307	3.7
189.05486	4.9
189.09143	2.5
191.07040	7.1
193.08549	6.4
193.10120	2.0
193.15871	2.1
203.07063	9.6
203.08794	1.9
203.10703	6.3
203.14363	5.4
203.17941	38.7
206.05728	2.8
221.04454	4.9
221.08058	14.3
221.11682	15.1
221.15538	15.7
221.19000	50.7
221.21994	30.5
222.11287	2.3
222.18660	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.80135	1.4
53.03944	3.3
55.05508	16.2
56.96559	2.6
57.07065	5.6
57.92989	1.5
65.03918	2.0
67.05497	13.9
69.03430	2.5
69.07066	17.2
70.81161	3.4
70.81533	3.2
71.04988	27.7
73.35844	1.4
76.28405	1.4
79.05492	18.4
81.06580	3.6
81.07056	67.5
83.04992	2.8
83.08649	7.5
85.06517	2.6
90.67262	1.4
91.05476	20.9
93.07044	44.9
95.04945	7.1
95.08602	35.7
97.06525	5.1
97.10171	3.3
99.08077	4.9
103.05476	4.9
105.07031	40.8
107.04935	2.2
107.08591	59.8
109.06516	6.8
109.10163	33.3
111.08059	5.9
115.05448	3.4
117.07017	6.4
119.04932	1.9
119.08583	50.4
121.06503	3.7
121.10158	13.0
123.08072	3.7
123.11703	18.8
125.09632	1.6
126.94367	1.5
127.11196	6.0
131.04942	4.1
131.08592	3.2
133.06491	5.5
133.10133	29.5
135.08057	3.5
135.11691	100.0
137.05981	5.8
137.09610	5.3
137.13281	3.1
143.04826	1.7
143.08623	2.8
145.06482	1.9
145.10146	2.5
147.04388	2.4
147.08061	2.4
147.11684	29.9
149.09528	1.7
149.13231	8.2
151.03920	2.1
151.07491	2.4
151.11172	4.1
160.05203	3.1
161.06000	11.7
161.09608	5.9
161.13263	15.5
162.06761	3.0
163.07545	3.5
163.14799	5.6
165.09146	2.5
165.12784	2.5
175.07532	4.5
175.11156	2.4
175.14828	5.6
177.05449	2.3
177.09109	72.8
177.16388	3.5
178.09512	1.6
179.10640	2.3
189.05429	2.6
191.07091	1.7
193.08594	3.5
193.15846	2.0
203.07076	2.9
203.10793	1.8
203.14488	1.7
203.17944	38.0
206.10806	1.9
221.04370	2.0
221.06258	2.1
221.08151	8.5
221.11656	4.3
221.15656	9.4
221.19019	61.2
222.11246	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	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
53.03951	4.9
55.01861	2.1
55.05516	12.7
56.96557	4.8
57.07070	1.9
65.03953	1.4
67.05164	1.5
67.05502	15.8
68.52499	0.9
69.07072	11.8
70.27621	4.0
71.04985	4.1
73.06542	1.5
77.03887	1.0
79.05494	62.3
81.03420	1.1
81.07059	45.3
82.07378	0.9
83.04989	2.8
83.08607	3.7
83.63618	0.8
85.02885	1.0
85.06554	4.5
87.04448	1.7
88.44279	1.0
90.80048	0.8
91.04905	1.6
91.05480	42.5
93.07045	100.0
94.07312	1.3
95.04973	14.0
95.08053	1.6
95.08607	21.7
97.06519	2.7
101.05990	1.1
103.05426	1.4
105.04526	2.3
105.07033	34.9
107.04943	1.1
107.08598	77.7
109.06525	5.8
109.10205	2.5
115.05457	1.5
116.98611	1.2
117.07014	4.7
119.08580	37.8
120.08938	0.9
121.06460	4.6
121.10154	17.1
123.08081	4.7
129.07027	5.8
131.08580	7.8
133.10135	12.0
135.08078	3.7
135.11690	1.5
137.09592	1.3
143.08545	7.4
145.10136	1.1
147.08041	3.5
147.11690	5.3
153.09192	1.0
157.10110	4.3
159.11694	8.2
161.08405	1.0
161.09656	5.5
161.13261	32.9
161.14616	1.9
162.13542	1.7
165.05482	1.2
165.09122	1.8
175.02777	2.1
175.11200	8.3
175.14786	8.9
185.13275	17.8
193.03819	2.1
203.14345	10.0
217.07458	2.2
221.11781	1.6
221.13556	1.2
221.15364	31.0
221.17653	2.1
222.15677	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.75591	1.2
53.03942	1.8
55.01847	1.4
55.05507	14.0
56.96570	2.1
57.07064	4.1
58.93319	1.2
61.39057	1.1
67.05505	10.5
69.03460	1.7
69.07059	14.0
71.04987	19.9
71.14767	2.8
72.05247	1.2
74.41907	1.3
79.05492	20.8
81.07055	60.1
83.04982	2.5
83.08616	6.7
84.26113	1.4
85.06549	1.5
91.05486	14.5
93.06468	2.5
93.07040	40.4
95.04977	3.2
95.08601	34.6
95.09238	1.3
97.02858	2.0
97.06537	3.7
97.10164	2.9
98.97579	2.4
99.08131	4.4
103.05479	1.7
105.07021	29.2
105.07680	2.3
107.08593	66.7
108.08916	1.8
109.06524	4.3
109.10151	26.1
111.04502	1.6
111.08086	3.7
113.09615	1.6
115.05502	2.0
116.98660	1.4
117.07047	1.5
119.08581	38.5
121.10143	13.3
123.08079	5.6
123.11701	16.8
127.11181	4.9
131.08511	2.1
133.06500	3.4
133.09135	1.6
133.10126	26.8
134.99686	1.6
135.08032	1.9
135.11685	100.0
136.12019	1.7
137.05995	3.6
137.09618	5.8
137.13264	4.1
137.18347	1.2
139.11192	1.6
142.07858	1.2
145.10121	3.9
147.11693	24.0
149.13242	9.5
151.03856	2.1
151.11185	4.6
159.11588	2.5
161.05995	5.4
161.09598	2.1
161.13248	13.7
162.06744	1.3
163.07617	1.4
163.14871	4.7
165.01860	2.1
165.05421	2.1
165.12697	1.7
175.07483	2.7
175.11201	1.7
175.14821	3.6
177.09109	18.9
177.16374	3.9
179.14349	1.7
203.10806	1.5
203.14305	1.5
203.17960	40.3
221.04213	1.7
221.07983	5.9
221.11768	2.3
221.15437	4.4
221.19012	48.0
222.11314	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57566	0.1
55.40973	0.1
63.03042	0.2
67.05495	0.2
70.65058	0.3
79.05468	0.3
81.07045	0.5
84.76038	0.2
87.13216	0.1
91.05461	1.2
93.07053	0.3
95.08619	0.3
105.07024	0.5
107.08600	0.3
109.06538	0.3
109.10150	0.2
115.05457	1.2
116.06216	0.5
117.07014	4.6
118.06543	0.9
119.04942	0.4
119.06867	1.1
119.08558	0.4
121.06490	0.3
121.10152	0.2
123.08062	0.2
123.11731	0.2
128.06224	1.2
132.05731	0.2
132.08128	0.2
133.06494	0.7
133.08406	0.2
133.10089	0.3
134.07253	1.3
135.08063	0.8
137.05954	0.2
137.09543	0.1
143.08533	1.1
144.05705	0.5
145.06487	1.2
147.04332	0.2
147.08038	0.4
147.10014	0.3
147.11630	0.4
159.08134	0.1
160.05173	0.4
161.05966	0.5
162.06766	5.8
162.08989	0.3
163.09492	0.8
171.08058	0.5
175.07562	2.6
175.11185	0.2
176.14336	1.0
177.09105	100.0
177.14647	4.5
178.09454	1.5
178.11835	0.2
185.13199	0.1
185.17369	0.2
191.12634	0.5
203.10649	0.6
203.16170	0.2
221.04434	0.3
221.11603	0.6
221.17296	20.2
233.04230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
56.05036	0.4
56.96556	1.2
57.03428	0.4
70.06596	0.8
70.59214	1.1
74.02421	0.8
79.05496	0.5
79.22147	0.4
82.02934	1.6
84.08140	0.6
85.02889	0.5
90.05569	0.5
91.05449	0.4
94.06570	3.9
97.02898	0.4
98.97581	0.8
101.02372	0.6
103.05492	0.7
104.04974	0.5
106.31039	0.3
109.10152	0.5
115.05459	1.0
119.08613	0.7
120.08120	1.4
128.98685	0.4
130.06525	67.7
131.06857	1.1
132.04451	42.4
133.04774	0.5
134.06015	0.4
139.40804	0.4
140.04858	0.4
146.06044	0.4
147.09187	0.8
148.07562	3.4
156.06767	0.4
157.07614	25.5
158.06013	78.1
159.06393	1.7
161.05994	0.6
175.08672	100.0
176.07138	2.1
176.08940	1.7
185.07178	0.5
186.05489	2.7
203.08183	3.8
203.11028	0.5
204.06593	3.7
216.47794	0.3
221.09204	18.0
222.09631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01883	0.5
55.05513	1.0
56.05044	1.2
56.82536	0.5
56.96572	1.5
57.07063	0.6
60.14708	0.6
67.05508	1.9
69.03422	1.3
69.07074	1.0
70.06582	1.1
71.50106	1.0
72.04514	0.9
74.02448	1.3
74.06084	0.8
79.05511	0.8
81.07046	1.7
82.02944	2.6
83.08636	0.6
85.02903	0.8
90.05544	2.9
91.05460	2.1
93.07046	1.0
94.06569	5.0
95.04970	1.3
95.08624	1.2
98.97586	1.0
102.76565	0.5
103.05493	1.7
104.04969	1.2
105.07043	1.2
107.04942	0.6
109.02863	0.6
109.04917	0.5
109.10164	1.3
111.08076	1.3
114.09158	0.6
115.05432	1.2
116.98649	0.8
120.08118	1.3
121.06482	1.3
123.08132	0.7
125.07921	0.6
130.06529	78.0
131.04951	1.9
131.06895	1.2
132.04456	46.1
133.06520	0.7
133.10115	1.2
137.05977	1.8
146.06015	0.6
147.04456	1.1
147.08055	0.8
147.09155	0.7
148.07562	3.1
153.09129	0.7
157.07620	37.7
158.06015	87.8
159.06325	0.9
160.09598	0.9
161.05980	1.5
163.07559	0.9
165.05382	0.6
165.09142	0.7
175.08676	100.0
176.07039	1.5
176.08989	2.1
185.07083	0.8
186.05475	3.1
193.15973	1.2
203.08177	12.8
203.11021	1.3
204.06540	5.5
221.09212	19.9
221.11942	1.5
221.15370	1.5
222.11235	1.7
229.56276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
58.12557	0.7
61.80784	0.8
70.06565	1.5
70.14621	3.6
71.78314	0.8
73.11546	0.7
82.02940	1.2
82.12665	0.7
86.68839	0.8
94.06566	3.1
103.05458	0.7
104.04969	1.0
106.06577	1.3
107.46075	0.7
115.05488	1.8
116.07053	0.9
120.08050	1.2
127.07056	0.9
130.06529	48.5
131.04971	1.0
131.06837	1.4
132.04456	35.1
132.08121	1.0
134.06041	9.2
146.05977	1.5
146.98294	0.7
147.06361	3.0
147.09164	1.6
148.07590	6.0
157.07611	20.5
158.06018	71.0
159.06622	2.0
160.07628	4.4
162.05505	18.3
175.08679	100.0
176.07074	2.5
176.08969	2.4
186.05513	6.0
202.47003	0.8
203.08171	1.2
204.06575	21.8
221.07161	1.3
221.09227	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	220.1332
Annotation	Darlingine
Peak:m/z	Relative Intensity
56.05029	0.4
57.07059	0.4
69.03436	0.8
70.06594	0.5
71.33389	0.9
74.42954	0.4
79.05499	0.6
81.07046	1.2
87.04468	62.6
93.05730	0.5
93.07063	0.4
97.99610	0.4
105.07046	0.7
107.08583	0.5
107.40707	0.4
115.05490	0.4
115.97327	0.4
117.07011	1.4
118.06544	6.8
119.07327	8.3
127.15610	0.5
132.08115	0.7
134.09650	100.0
135.09985	1.8
142.76176	0.5
178.72247	0.4
195.44310	0.4
198.90335	0.4
204.14630	1.0
205.15817	1.1
220.13333	69.8
220.17661	4.7
221.13606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
72.45073	0.2
98.20686	0.4
118.06539	8.3
120.08073	0.2
132.08076	2.8
132.09003	0.3
133.08870	1.0
134.09634	0.7
144.08096	0.4
146.09642	3.0
147.10434	0.4
148.11221	0.3
160.11240	0.5
161.12079	0.2
162.09132	5.5
162.10495	0.4
176.10785	3.3
176.14339	28.3
177.08897	0.2
177.11472	1.4
177.14664	0.6
189.15111	0.2
190.09685	0.2
190.12267	2.6
202.15900	0.8
204.13838	0.2
220.16951	100.0
221.17342	2.0
226.98088	0.2
244.42245	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	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01874	1.7
55.05487	0.7
57.07073	6.6
59.05004	4.1
67.05501	5.3
69.03419	0.7
69.07067	4.8
70.02953	6.7
70.06588	0.6
71.28794	1.1
72.04515	14.7
72.08155	1.5
73.02921	2.9
74.02444	1.8
81.07054	0.9
83.04997	1.7
85.06544	10.7
86.06076	1.3
86.09707	1.5
87.04462	2.7
87.08110	1.9
90.05555	100.0
91.05881	0.7
95.04963	7.4
96.08112	2.0
96.83656	0.6
98.01956	0.4
98.02417	14.5
98.06064	4.2
100.03973	2.9
103.07577	7.1
113.06020	2.8
116.03449	16.5
124.07584	17.3
130.08644	0.8
131.07010	1.3
140.10696	3.4
142.08630	7.7
143.98318	0.5
144.10164	0.9
156.10185	1.0
158.11777	14.9
160.03140	0.8
160.09715	2.8
166.08647	2.9
174.11270	2.6
175.61482	0.6
184.09695	19.0
202.08838	1.4
202.10750	28.1
202.14369	1.1
204.14618	1.2
220.11815	30.4
220.15298	1.3
220.17645	2.9
221.12050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22791	3.0
55.05518	3.5
56.96559	10.3
57.07063	4.2
62.78583	3.2
67.05496	6.6
69.07055	8.3
71.04362	3.2
71.60521	4.3
79.05479	4.4
81.07049	7.8
84.41463	3.8
91.05457	5.9
93.07029	5.2
105.07021	5.4
106.07348	4.0
107.08595	4.6
116.98561	4.3
119.08566	6.1
120.08886	5.3
121.10117	6.0
122.10461	8.8
132.08853	3.3
134.10481	5.0
145.10106	6.2
146.10471	6.0
152.04189	4.3
160.11987	5.1
161.01096	3.3
162.09915	3.9
162.13687	5.1
164.10661	7.5
175.89052	3.5
190.09441	7.2
192.17480	4.4
204.14671	24.6
205.15930	19.7
215.11316	6.8
220.07545	12.7
220.10405	6.0
220.17831	100.0
220.20479	4.8
233.12341	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	220.1179
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.01871	1.3
55.05504	1.4
56.01385	0.8
57.03461	0.6
57.06823	0.8
57.07078	7.3
59.04995	4.6
61.02914	0.7
67.05502	5.7
69.07068	4.9
70.02950	6.5
71.09560	1.3
72.04517	14.8
72.08163	1.0
73.02920	4.0
74.02431	1.9
81.07035	0.9
83.04973	1.8
85.06539	9.6
86.06043	0.6
86.09704	2.2
87.04482	1.6
87.08098	2.1
90.05554	100.0
95.04971	8.5
96.08121	2.3
97.02861	0.8
98.02415	11.8
98.06065	1.5
98.97578	0.7
100.03994	2.6
103.07589	9.1
112.07629	0.7
113.05985	3.2
116.03453	16.4
124.07586	17.9
124.08495	0.9
130.06531	6.0
131.07002	1.5
132.04449	4.9
134.06088	0.6
140.10693	1.1
142.08636	8.0
146.06017	9.5
146.99599	0.6
147.06366	1.2
150.05481	0.8
156.10216	1.3
157.07571	2.0
158.06027	9.6
158.11787	3.6
160.09692	2.5
162.05531	0.9
166.08643	2.5
174.11256	2.5
175.08684	10.6
181.05122	0.7
184.09691	20.0
186.05424	0.8
202.10742	29.7
204.06491	1.0
204.14664	2.0
205.15903	1.3
220.08224	1.1
220.11800	26.1
220.17735	4.6
221.09207	2.3
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
55.01878	5.3
55.05515	4.9
55.91978	1.0
56.96542	3.7
57.03451	6.0
57.07064	1.4
60.04523	1.2
61.02930	16.8
66.25906	1.0
67.05495	3.1
69.03419	1.8
69.07058	3.1
70.99148	2.9
71.01357	26.4
71.04980	2.4
72.04500	1.1
75.04484	46.2
79.05476	1.9
81.03396	1.2
81.07043	3.1
83.04968	2.4
84.99252	2.2
85.02883	1.9
87.04472	17.2
89.02390	7.7
89.03909	1.2
90.05544	3.5
91.05482	2.0
93.07042	3.7
98.97575	3.8
100.66539	1.0
101.06006	2.1
103.03944	52.2
105.06983	2.5
107.08574	4.0
111.04482	1.1
113.79443	0.9
116.98640	2.4
117.07009	1.5
119.08585	6.6
121.10142	6.8
129.07011	1.5
131.03404	11.3
131.08606	1.2
133.10135	6.2
134.99606	2.4
135.11681	2.4
145.06480	2.7
145.10133	1.5
147.11665	2.2
153.93881	1.0
155.07016	1.2
157.07495	2.5
159.02893	71.1
160.03259	1.1
161.01204	1.9
161.04430	1.1
161.09598	1.7
161.13278	4.5
163.03897	3.8
165.00717	1.3
173.05965	1.3
175.09668	3.0
175.14769	2.2
176.04819	1.1
177.00720	1.5
187.02385	9.5
187.11143	2.0
188.11990	1.6
190.95251	1.5
203.14317	31.8
219.04866	5.8
219.17439	100.0
220.11855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
68.99809	1.1
70.28910	3.8
77.80493	1.0
79.72619	1.0
80.57584	0.9
91.05484	11.0
101.01727	1.0
103.05451	4.1
105.07061	3.2
107.08613	1.6
115.05450	10.4
116.06230	3.2
117.07038	3.6
119.08595	2.2
121.10144	1.7
128.06230	13.2
129.07011	41.4
130.07745	1.7
131.04936	8.6
131.08572	41.5
132.05713	1.8
133.10138	4.0
137.06006	5.8
141.06998	38.7
142.07439	1.1
143.04890	3.1
143.08617	2.4
144.05713	6.1
145.06499	8.6
145.10233	1.2
145.78558	1.0
146.07289	6.0
148.05125	1.9
157.06506	21.0
158.07275	24.4
159.04411	4.5
159.08064	27.2
160.05235	7.0
161.09636	4.3
169.06477	13.8
169.07645	1.7
170.07285	9.1
173.05992	4.2
174.06775	83.9
175.07538	12.3
186.06760	17.9
188.08354	4.7
189.09116	97.0
190.09549	3.0
190.65062	1.2
191.07085	1.5
191.10677	6.8
201.09108	45.4
203.14415	1.7
219.10176	100.0
219.17383	10.6
220.10513	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.6
55.05498	3.5
56.96558	3.9
57.03426	2.9
61.02926	19.0
67.05502	2.5
69.03416	1.2
69.07051	1.5
71.01357	27.5
71.04971	1.0
71.50384	1.5
75.04484	43.1
79.05484	2.3
81.03380	1.1
81.07050	3.2
83.02626	0.8
83.04979	1.1
84.99270	1.4
85.02891	1.6
87.04466	14.8
89.02386	6.7
90.05542	1.4
91.05478	2.5
93.07044	2.6
95.04976	0.8
95.08590	1.1
97.02875	0.9
98.97578	1.5
101.06036	1.8
103.03941	52.4
105.07026	3.3
107.08582	2.9
111.04390	1.4
116.98609	3.2
117.07021	1.3
119.08575	5.2
121.10143	6.0
125.32802	0.8
131.03403	9.4
131.08551	2.0
133.10121	5.3
134.99646	2.1
135.04315	1.3
135.11713	2.4
145.02872	0.9
145.06491	1.9
145.10074	2.3
146.99602	1.1
147.08069	1.1
147.11693	1.5
154.12416	0.9
155.07048	1.0
157.07578	1.6
159.02895	78.6
159.08035	1.1
161.09610	2.3
161.13274	3.3
163.02690	0.9
163.03922	4.8
163.07593	1.1
170.10852	1.1
172.95377	1.1
173.05965	1.1
173.09627	1.0
175.08566	1.6
175.14842	2.0
177.00769	1.2
187.02379	6.4
187.03792	1.1
187.11172	1.1
188.11974	1.6
189.09042	1.0
190.95363	1.9
191.07112	1.8
203.14331	30.5
219.04901	6.2
219.06786	0.9
219.17441	100.0
237.02754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1391
Annotation	L-valyl-L-proline
Peak:m/z	Relative Intensity
53.95223	0.3
56.05037	7.7
57.03416	0.6
58.06605	2.3
69.03431	0.7
70.06587	1.3
70.12878	1.6
72.08156	2.0
73.07686	1.8
82.06623	0.3
84.08147	1.4
85.07649	0.3
97.06541	0.3
97.07643	1.5
98.20780	0.3
100.07619	0.4
111.09216	0.9
112.09988	7.8
116.07123	0.4
141.10228	78.3
142.10634	1.0
169.11934	0.5
169.13370	9.0
215.13916	100.0
216.14262	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1391
Annotation	L-valyl-L-proline
Peak:m/z	Relative Intensity
56.04775	0.6
56.05032	6.0
56.96561	1.0
57.03434	0.3
58.06594	1.1
59.71515	0.3
69.03436	0.6
69.94525	1.6
70.06585	1.2
72.08161	1.8
73.02892	0.4
73.07677	1.2
84.08144	0.8
85.02916	0.3
86.08493	0.4
86.09704	0.4
86.45996	0.3
86.52417	0.3
97.07636	1.2
98.09668	0.6
98.21426	0.4
98.97636	0.3
111.09207	1.0
112.09212	0.4
112.09982	7.1
113.10754	0.5
131.84167	0.3
141.10222	80.1
142.10582	0.8
143.05687	0.3
154.09743	0.6
155.52705	0.3
169.13351	1.8
173.05522	0.4
215.13899	100.0
216.14220	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14522	1.5
55.05511	46.1
56.53354	1.7
56.96566	4.0
59.04987	4.6
62.24455	1.7
62.41925	1.8
67.05501	3.4
69.03450	1.8
70.06583	3.9
70.42517	5.3
70.42929	3.2
72.08149	4.3
74.06072	1.9
83.04984	62.0
83.08629	2.3
83.53183	1.7
84.08129	2.4
85.06550	3.5
86.06082	2.2
87.04491	5.8
87.28392	1.9
89.02379	6.4
89.06013	9.5
99.04457	4.7
101.06019	27.0
111.04446	77.9
113.05995	10.4
116.07087	2.1
116.31594	1.9
122.15509	1.9
127.07568	12.8
128.07092	2.8
129.05481	22.2
138.09154	2.2
147.06561	1.8
155.07034	100.0
163.03844	3.2
173.08115	57.8
196.81992	1.8
199.09627	5.2
217.03514	3.0
217.06856	80.3
217.10620	41.7
217.12488	3.0
217.14191	2.0
237.65617	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31680	1.2
52.17159	1.3
53.03928	4.0
54.60097	1.2
55.05489	1.9
56.05029	2.8
56.96568	10.6
57.07070	2.6
60.04528	1.7
65.03928	1.6
67.05486	6.1
68.05009	1.9
69.03410	5.5
69.07059	6.7
70.06592	8.8
70.11493	4.2
70.95853	2.8
71.04991	2.5
71.21653	1.3
72.08125	2.4
72.93778	7.3
79.05473	4.0
80.05000	2.3
80.90231	1.4
81.03396	2.3
81.07051	6.5
82.06545	1.6
83.04958	3.2
84.04477	4.3
84.08117	5.5
85.06533	1.5
88.04003	1.7
90.05576	2.9
90.94818	7.7
91.05473	7.8
92.05783	2.4
93.05769	2.9
93.07036	7.3
94.06582	22.7
94.07195	2.2
95.04947	8.2
96.08176	1.4
97.02885	2.1
97.06488	2.4
98.06026	2.0
98.97569	6.0
103.05504	1.6
105.06980	1.3
107.04945	2.2
107.08568	4.1
108.04482	2.4
108.05210	1.5
108.07549	1.2
108.08082	14.6
108.08872	3.5
108.95833	4.9
109.02889	1.9
109.06486	6.1
110.06043	18.2
110.09591	1.7
111.04361	1.5
111.05579	1.8
111.08074	3.0
111.73833	1.6
112.07577	5.1
113.05855	1.3
116.07016	1.4
116.98595	5.0
117.05711	1.6
118.06509	2.2
119.04896	2.0
119.08557	3.5
120.08887	5.4
121.06490	1.8
122.06030	76.3
122.09647	1.5
122.10455	2.1
123.04401	6.2
124.07599	2.3
127.07584	2.1
130.06506	1.6
132.08804	2.0
132.95816	16.0
134.99631	4.5
135.04385	1.9
136.07565	37.2
137.05937	3.9
140.07069	100.0
140.14342	4.3
141.00021	4.2
143.00082	1.5
146.99689	1.7
148.08333	2.4
149.96091	4.0
150.09964	3.3
150.96890	75.0
151.07541	1.8
154.04904	3.1
154.08635	36.2
155.97446	2.7
156.13794	1.8
158.02649	2.5
161.01192	2.7
163.03873	2.2
164.06995	7.0
165.05402	3.9
166.09454	2.8
167.07024	5.0
167.97169	7.5
168.07578	1.8
168.10149	2.8
168.97890	5.1
169.07484	7.4
169.08781	2.4
170.11739	3.2
173.98485	2.0
177.00696	3.5
178.09525	1.7
182.08107	21.8
182.15445	2.0
187.07588	1.7
189.97826	2.7
191.97136	11.0
196.09656	15.2
203.02194	1.5
209.01256	3.1
209.98213	9.8
214.05055	2.3
214.07088	3.2
214.10709	54.9
214.14151	3.0
214.17909	3.1
214.21707	4.3
214.98633	1.8
224.06174	1.3
227.53131	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	5.5
56.96567	6.3
57.07061	5.6
59.04953	1.2
67.05493	3.4
67.11832	1.1
69.07073	10.3
69.81012	1.3
70.39953	1.2
71.60647	3.3
79.05494	6.9
81.07052	7.0
81.93247	1.3
83.08595	2.7
85.06574	1.2
88.07616	3.9
91.05493	7.7
93.07033	9.3
94.06543	1.3
95.04966	2.6
95.08578	4.7
97.10181	1.5
99.04417	2.0
103.05461	2.4
105.07028	57.3
107.08595	8.1
110.13092	1.4
115.05453	2.5
117.07034	3.4
118.61642	1.5
119.08581	51.3
120.10718	1.3
121.10128	11.0
128.06238	9.2
129.07025	8.7
130.96251	1.9
131.08563	3.5
133.10106	6.8
139.07599	1.4
139.10976	1.1
141.06973	4.3
142.06758	2.1
142.07773	16.1
143.07503	2.6
143.08565	45.3
143.09688	2.4
145.10144	3.9
148.97339	3.5
152.06047	1.3
155.08502	2.9
156.09338	13.3
157.10124	50.9
158.10733	2.2
167.02338	1.7
169.10112	3.2
170.10910	4.4
171.11682	39.7
183.11650	7.6
184.12492	3.6
185.13268	6.4
195.11705	1.8
198.13994	5.6
207.98657	1.4
213.09372	1.8
213.12778	8.4
213.16383	100.0
214.16711	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
54.16983	3.4
55.01868	5.6
55.05510	22.7
55.61454	3.0
56.96562	5.4
57.03444	21.2
57.07058	5.7
67.05505	65.2
69.07069	31.8
70.93198	10.2
71.01357	9.3
71.04986	13.0
79.05060	5.2
79.05490	62.8
81.03425	8.1
81.07057	33.5
83.04973	22.8
83.08617	8.7
83.55795	3.1
85.06568	8.0
88.07605	8.7
91.05486	27.4
93.07051	71.7
95.04975	9.9
95.08595	14.6
97.06532	23.1
97.10175	9.6
98.45778	3.7
99.08081	5.2
105.07041	11.1
107.04947	6.7
107.08588	47.9
109.10136	8.0
117.07014	11.8
119.08569	12.9
121.06522	4.0
121.10140	23.8
125.09618	5.6
128.06221	5.8
129.06979	9.5
131.08591	6.2
133.10158	6.1
135.08054	4.5
135.11688	100.0
137.09673	5.1
143.08522	12.8
145.10117	24.8
156.09380	3.7
157.10051	18.3
163.11197	15.0
167.07036	6.5
171.11671	15.4
181.12213	10.9
213.12782	10.3
213.16370	34.3
224.59094	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.48762	0.8
53.03930	2.6
54.81870	0.8
55.01852	2.7
55.05492	3.8
56.05028	1.2
56.96569	12.7
57.03432	2.1
57.07053	1.0
61.58880	0.9
65.03951	1.5
67.05486	3.1
68.63503	0.9
68.99744	1.0
69.03411	2.9
69.07050	3.7
69.68394	2.8
69.68822	3.1
70.06606	8.6
70.94228	1.5
71.04988	2.0
71.08598	1.1
72.04523	1.0
73.02893	1.7
78.04682	1.1
79.05487	13.7
80.90027	0.8
81.03400	1.8
81.07061	6.7
83.04962	3.3
83.06093	0.9
83.08620	1.7
85.02885	3.1
86.09716	1.4
88.07605	2.9
88.98231	0.8
91.05480	40.8
93.06478	1.2
93.07043	24.1
95.04965	5.5
95.08609	4.5
97.02856	1.9
97.06508	2.3
98.20837	1.7
98.97553	2.5
99.04447	1.9
103.05453	1.6
105.07035	39.9
107.04941	9.1
107.08595	56.0
109.02888	1.5
109.06512	4.3
109.10134	2.8
110.03654	1.2
110.07114	1.4
111.04416	2.0
111.08042	2.2
115.05442	2.0
116.06194	3.8
116.06975	1.3
116.98586	3.5
117.07059	4.0
119.04945	6.5
119.08583	100.0
120.08884	2.3
121.02828	2.7
121.06493	4.0
121.09319	1.5
121.10145	25.9
123.04406	2.4
123.08067	6.9
123.11684	1.7
125.02325	1.2
125.05967	3.6
125.09602	2.4
127.03886	2.3
128.98549	1.2
129.07016	5.2
130.96286	1.8
131.04820	1.0
131.08566	36.2
133.06467	3.3
133.07475	0.8
133.10123	6.3
134.04938	0.9
134.99615	3.7
135.04349	3.4
135.08057	7.9
135.11658	1.1
137.05952	1.8
137.09586	3.5
140.04817	1.0
141.05424	1.1
141.06961	1.5
142.07716	2.6
143.08609	0.9
146.99631	1.1
147.08055	29.9
148.97351	5.4
148.98334	0.9
149.06018	1.2
149.09622	31.3
151.03874	2.4
151.07498	2.1
151.11130	1.7
152.06152	1.2
153.05489	4.0
153.09096	2.4
157.10104	1.0
159.08066	7.8
161.01205	3.3
163.03874	1.8
165.05540	1.0
165.09125	29.4
167.07069	22.8
167.10675	10.4
169.04967	1.1
169.07556	2.9
169.09940	0.9
177.00655	1.8
177.09103	26.7
179.02281	1.0
181.04884	1.7
185.07080	2.9
185.09573	1.9
189.00653	2.8
189.97661	1.6
195.08354	1.5
195.10170	26.4
198.06822	1.2
207.06561	1.5
207.98764	1.8
213.05281	1.4
213.06874	1.5
213.09177	4.6
213.11165	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	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03935	2.6
55.01845	5.3
55.02076	1.2
55.05487	5.1
56.05024	1.2
56.96565	31.7
57.03437	5.9
61.02898	5.1
65.03914	2.5
67.05472	5.2
68.99760	1.4
69.03431	16.1
69.07085	6.8
70.06593	8.1
71.01356	1.1
71.04955	4.0
71.59689	1.2
71.95233	1.5
72.08121	4.4
73.02918	7.8
79.05489	16.3
81.03423	5.9
81.07055	7.4
82.03704	1.0
83.01290	1.5
83.04935	4.1
83.08576	2.2
84.08126	1.3
84.96020	1.7
85.02908	19.1
85.06529	1.9
86.09673	3.4
87.04462	3.3
88.07585	3.2
91.03910	2.7
91.05479	38.8
93.06499	1.7
93.07041	30.9
95.04976	7.0
95.08601	6.0
96.08073	2.9
97.02888	12.5
97.06554	7.7
98.09661	1.5
98.97597	7.6
99.04420	5.1
99.08022	1.2
103.05433	2.9
104.44966	1.0
105.07030	34.4
107.04942	9.9
107.08595	59.1
109.02837	4.5
109.06495	6.2
109.10138	2.2
110.03654	1.8
110.06049	1.6
110.07067	1.7
110.29738	1.1
111.04388	4.2
111.08044	3.1
113.05963	1.5
114.09119	3.2
115.05451	2.1
116.06189	4.4
116.06932	1.3
116.98610	8.2
117.06982	3.4
119.04932	15.8
119.08579	100.0
120.05634	1.8
121.02824	2.8
121.06467	3.8
121.10142	32.1
123.04382	5.4
123.08018	4.8
125.05956	4.6
125.09625	2.0
127.03951	7.7
127.08618	1.6
128.06157	1.3
128.98567	3.9
129.06956	5.3
129.51744	1.1
129.53590	1.4
130.96153	1.3
131.07617	1.8
131.08571	35.4
133.02858	1.6
133.06499	13.7
133.10121	13.0
134.01277	1.4
134.99652	9.4
135.04457	5.4
135.08054	14.4
136.54401	1.5
137.05974	5.5
138.54111	3.2
139.03920	2.9
141.05484	1.8
142.08594	4.0
144.54126	2.5
145.01738	1.3
145.04947	1.7
146.99661	6.4
147.04359	1.5
147.08026	16.5
148.97357	6.9
149.01155	2.5
149.09625	50.3
149.53305	1.3
150.54089	3.3
151.03912	2.7
151.07544	8.3
152.04100	1.6
153.00674	1.9
153.01840	1.6
153.05495	8.8
153.09035	3.7
158.01266	1.3
158.53804	1.8
158.99648	1.9
159.08052	6.9
161.01149	4.3
163.02684	4.0
163.03874	3.9
165.00650	2.6
165.05376	3.2
165.09108	23.2
167.03317	3.1
167.07083	11.4
167.08382	2.4
167.10641	15.3
168.10104	1.6
169.06422	1.2
171.54581	3.9
175.03941	2.3
177.00601	3.4
177.09108	58.9
180.55226	12.1
181.03709	2.3
181.05132	2.4
181.06534	2.2
185.07156	2.9
185.09460	1.4
189.04291	3.3
189.55728	93.6
189.97656	1.4
190.05945	14.4
190.55820	2.2
192.05997	1.3
195.06445	1.6
195.08376	2.5
195.10165	40.2
195.13800	1.5
196.56386	1.2
197.01213	1.6
198.04314	7.3
198.56190	2.9
201.06502	10.1
201.56630	3.3
207.05067	3.2
207.06813	1.9
207.98676	1.7
212.07793	1.5
213.05368	6.8
213.07370	1.6
213.09129	4.8
213.11119	38.3
213.13074	2.3
213.16354	1.4
216.05435	51.5
217.05772	2.7
225.10895	1.4
234.06517	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	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.02365	1.2
52.09555	0.8
53.03941	2.9
55.01859	3.8
55.05506	5.6
55.79432	0.9
56.05027	1.4
56.96331	1.2
56.96566	12.8
57.03419	2.7
57.07070	1.4
59.05001	1.1
59.06093	1.1
61.02907	2.6
65.03642	1.0
65.03928	5.1
67.05505	6.4
68.05018	0.9
69.03415	3.3
69.07062	4.0
70.06589	8.2
71.04974	3.2
71.58875	1.3
72.08131	2.3
73.02909	3.2
77.03876	1.0
79.05061	1.2
79.05495	20.1
81.03402	3.1
81.07055	9.0
83.04977	5.4
83.08609	1.4
84.08120	2.2
85.02894	3.2
85.06524	1.5
88.07619	2.8
88.95310	1.2
89.03930	1.5
91.05477	37.0
93.03411	1.5
93.06471	1.7
93.07043	27.6
94.06509	1.0
95.04971	9.3
95.08591	3.9
97.02867	2.0
97.06544	6.0
97.07682	1.1
97.10191	1.3
98.97562	3.5
99.04431	2.6
103.05444	2.6
105.04547	1.7
105.06300	1.2
105.07028	42.6
107.04950	46.7
107.08591	65.0
108.08129	1.1
109.02825	1.8
109.06516	6.4
109.10142	1.3
110.03652	3.2
110.05971	1.3
110.07174	1.2
111.04433	4.4
111.05521	1.2
111.08059	1.2
116.06229	3.8
116.98605	3.3
117.07050	4.4
119.01859	1.2
119.04945	5.4
119.08576	100.0
120.08876	1.2
121.02857	5.0
121.06496	3.7
121.09320	2.0
121.10144	31.1
122.05997	3.1
123.04427	5.5
123.08067	5.2
123.11705	0.9
124.05167	1.3
125.02359	2.3
125.05988	14.8
125.09611	1.6
127.03893	2.1
128.06285	1.1
129.06981	3.5
130.96300	2.1
131.08569	38.9
132.68259	1.0
133.06483	4.2
133.10101	6.8
134.99631	3.3
135.04411	14.0
135.08066	7.5
135.11662	1.0
136.07553	1.8
137.05952	3.9
138.03073	1.1
139.03879	3.1
140.04669	8.2
140.07066	3.6
141.05409	3.2
141.07071	1.6
143.00052	1.2
143.01900	1.0
145.03899	1.4
147.04410	1.1
147.08043	38.2
147.96475	1.2
148.97365	8.2
149.02310	4.2
149.05951	1.8
149.09613	37.8
149.13255	1.2
151.03903	4.6
151.07492	1.2
151.11147	2.8
153.05466	14.8
153.09059	2.4
154.08594	1.7
155.07021	2.3
157.04874	1.4
157.06438	1.1
159.08058	10.7
161.01260	2.4
163.03896	22.6
165.05489	1.9
165.09106	33.3
165.97595	1.1
167.03410	8.9
167.07057	16.0
167.10663	9.1
169.05046	1.3
177.09099	28.2
177.78909	1.0
181.04958	17.1
181.06497	1.4
182.08087	1.1
185.07195	2.3
185.09590	1.3
189.00598	1.8
189.55177	1.7
189.97632	2.2
195.02888	1.4
195.06526	8.4
195.08296	2.0
195.10179	29.6
203.02299	1.0
207.06415	1.0
207.98747	1.5
213.05446	4.1
213.07492	3.9
213.09209	4.1
213.11151	28.6
213.16452	1.3
214.10806	3.1
223.11942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
52.83703	1.1
53.03942	2.4
55.01870	1.4
55.05503	4.7
56.96570	13.9
57.03426	1.4
57.07063	1.6
59.06116	1.9
60.04524	1.4
61.02925	10.6
65.03933	7.5
67.05499	4.7
69.03418	3.5
69.05038	1.1
69.07060	5.1
70.06601	9.1
70.79005	3.8
70.94237	1.5
71.04991	3.3
72.08163	6.8
73.02917	2.0
78.04710	1.6
79.05501	17.8
81.03403	2.4
81.07060	3.9
82.49520	1.3
83.04984	2.0
83.06094	1.7
83.08616	2.3
85.02911	2.1
85.06543	1.4
86.09724	7.0
88.07652	3.4
88.95287	2.2
89.03934	1.9
91.05483	9.2
93.03376	1.7
93.07063	3.3
95.04978	8.9
95.06071	1.6
95.08601	2.5
97.06548	2.9
97.10178	1.8
98.97584	2.8
99.04453	2.0
102.95164	1.1
105.03394	2.0
105.04514	2.1
107.04967	35.0
107.06092	1.4
107.08604	2.6
108.02064	2.9
109.02887	1.6
109.06542	2.6
110.03672	24.4
110.07178	1.5
111.04458	19.8
111.05556	1.4
111.08064	1.3
113.07150	1.2
116.98621	3.7
117.03355	2.4
119.04938	4.2
119.08604	1.8
121.02885	2.0
121.06521	12.7
121.10164	1.8
122.03629	6.2
123.04459	1.4
123.09216	1.3
125.02392	1.7
125.06003	60.0
127.03904	1.2
129.07103	1.4
130.96288	1.8
133.02866	12.5
134.99652	6.9
135.04420	27.6
136.01611	1.4
137.05975	8.2
138.06671	1.3
139.03897	2.6
140.04713	1.5
141.05432	5.8
145.01727	1.1
146.99657	2.4
147.96600	2.0
148.97365	20.0
149.05998	21.8
149.09622	1.5
150.00702	2.8
150.03152	10.4
150.06615	1.3
151.03918	100.0
151.05022	7.7
152.04283	2.0
153.05484	14.3
153.07475	1.8
163.03949	11.0
165.04172	2.6
165.05496	38.9
165.06885	2.3
165.97594	1.5
167.05522	1.4
167.07045	23.2
168.07582	1.3
174.00772	3.9
177.05479	19.2
177.92194	1.3
181.04947	2.4
185.05942	1.6
189.01910	1.7
189.97672	2.8
195.04892	2.1
195.06526	14.9
207.98734	2.2
213.05492	4.9
213.07568	6.5
213.09402	1.9
213.13072	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	212.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.2
55.01860	9.0
56.05029	3.0
56.96294	5.3
56.96564	100.0
57.03437	43.2
59.74192	2.7
61.02924	53.0
62.03264	2.5
64.69073	2.4
67.05484	3.1
69.03427	37.3
69.07059	5.2
69.61779	3.1
70.03748	3.9
70.06580	6.8
71.04977	5.1
71.59358	4.8
71.95248	8.3
72.96040	3.2
73.02916	28.3
74.69566	2.4
74.97579	2.8
81.03413	39.5
83.00780	3.1
84.08128	4.8
84.96023	9.5
85.02904	54.1
87.00830	3.5
87.04462	7.7
88.99152	3.6
90.01563	4.4
92.01315	5.7
96.01538	3.5
96.04495	4.8
97.02884	27.6
98.97578	46.1
99.04446	9.6
101.00807	5.5
101.02363	2.8
102.02296	2.7
102.63251	2.6
104.01305	6.7
107.00163	3.0
109.02865	42.9
110.01256	8.1
110.02369	4.1
110.97551	7.5
111.04465	2.8
113.02403	14.6
116.98605	44.6
117.02029	5.7
119.01846	47.4
120.02000	3.3
125.01793	3.9
125.07182	3.0
127.03881	17.2
128.02312	22.0
128.98608	23.4
131.01865	12.2
133.01549	4.1
133.03464	7.6
134.02332	3.6
134.99652	42.9
135.03033	6.0
137.02890	9.3
138.05547	4.4
140.02286	10.2
142.96440	4.0
143.00101	5.8
143.01825	6.8
145.01675	3.1
145.03468	7.3
145.04947	5.3
146.02277	7.9
146.99648	44.4
149.02844	4.7
150.05438	3.3
152.02258	8.1
152.06958	3.0
153.00749	8.3
153.03009	4.1
154.03001	3.6
155.02884	5.9
157.03481	7.8
158.01372	3.0
158.99675	12.9
160.02148	2.7
160.97572	9.5
161.01202	8.4
161.02888	15.6
162.99118	3.0
163.04634	2.8
165.00751	13.2
166.06265	3.1
166.08582	5.0
170.99669	10.9
173.01227	4.4
173.02913	7.2
174.99146	3.6
175.04553	3.5
177.00754	18.7
178.98711	2.8
182.03349	4.5
185.02922	4.9
187.00822	3.7
188.97054	21.1
189.00728	32.2
189.02367	5.7
190.01120	4.1
191.03929	7.1
193.00191	3.6
194.08078	4.2
194.15482	3.6
201.00627	7.8
202.98688	3.9
203.04007	4.8
206.98140	27.0
207.01765	6.8
212.05511	4.3
212.09155	10.1
212.12766	3.1
212.16399	6.3
219.01752	11.5
224.99060	4.4
228.11395	2.8
231.01743	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	212.092
Annotation	Methyldopa anhydrous
Peak:m/z	Relative Intensity
53.03927	0.9
53.14751	0.8
55.01865	2.4
55.05509	1.6
56.05029	1.9
56.96568	12.7
57.03436	6.9
58.06606	1.2
59.44818	0.8
61.02924	2.1
65.03927	2.8
67.05497	2.0
68.05027	2.0
69.03418	3.4
69.07046	2.8
70.02947	0.8
70.06593	11.5
70.79419	1.3
70.79740	0.9
71.04973	2.4
72.08144	2.7
73.02908	3.1
73.06544	0.9
79.05492	2.6
81.03414	6.1
81.04543	1.0
81.07049	1.7
82.06579	1.4
83.04966	0.8
84.04494	1.5
84.08135	4.9
84.96031	1.2
85.02904	6.3
85.06514	1.8
86.06050	1.1
86.09688	1.4
87.04431	0.9
88.59263	0.7
91.05489	5.4
92.05743	0.7
93.03412	2.0
93.06991	1.6
94.06570	1.3
95.04950	2.1
95.06083	1.1
95.08601	1.2
96.04481	1.7
96.08117	2.1
97.02911	5.0
97.06554	4.6
97.18219	0.7
98.06033	1.4
98.97591	4.6
99.04422	1.2
99.08076	3.5
104.01288	1.0
106.06564	3.4
107.04960	2.2
108.04532	0.7
108.05616	0.8
109.02853	4.9
110.01292	1.0
110.06019	2.2
110.07138	1.4
110.10403	0.8
110.97585	0.7
111.04449	7.9
112.05083	1.0
112.07610	1.5
114.05532	1.9
116.07079	3.1
116.98639	5.1
117.03349	0.9
119.01891	4.1
119.04967	4.3
120.08086	2.5
120.08891	0.9
121.06509	4.5
121.07660	0.7
122.06047	1.4
123.04366	1.6
123.06808	1.0
124.03958	0.8
124.07590	2.8
125.05978	8.2
125.07066	1.5
126.02522	1.0
127.03922	2.1
127.08662	0.8
128.02283	1.6
128.98584	3.6
131.00180	1.4
131.01842	2.0
132.52629	0.7
134.06015	24.7
134.99686	5.5
135.04448	1.8
136.07587	4.6
137.03023	1.3
137.05937	5.4
137.08342	2.3
138.05475	4.1
138.09154	1.8
138.10246	4.4
139.03862	0.9
140.02356	1.0
140.07033	1.4
141.06543	1.0
142.04773	0.8
143.00195	0.8
143.01904	1.7
143.05612	1.2
146.99657	6.2
147.04399	4.1
148.07538	4.9
148.97377	1.8
149.01215	1.4
149.02917	1.0
149.06000	20.5
149.07082	1.3
150.05429	1.1
150.96887	1.0
151.03833	0.9
151.06180	1.0
151.08652	0.9
152.02328	1.4
152.03476	1.2
152.07071	31.4
153.00679	0.9
153.04306	0.7
153.05466	18.0
153.06557	0.6
154.08582	1.5
158.99635	1.3
161.01198	2.6
161.02933	6.0
161.04105	1.0
163.02620	1.2
163.03888	1.1
164.07066	0.8
164.97726	1.0
165.00673	1.1
165.06987	1.0
166.04945	3.0
166.06142	7.3
166.08617	44.2
166.09805	12.9
166.12277	2.1
166.15855	1.0
167.07253	0.8
167.08487	3.9
170.99579	1.7
176.07089	8.9
176.29399	0.7
177.00719	2.7
177.05612	1.0
177.06999	3.4
179.02286	1.0
184.10841	2.9
189.00720	5.4
189.97664	0.8
194.04440	3.4
194.08124	100.0
195.06509	7.2
195.08078	2.7
201.00706	1.3
203.02299	0.9
207.01762	2.9
212.03734	2.8
212.06671	3.2
212.08862	43.6
212.10728	6.9
212.12897	5.8
212.16345	1.8
213.05573	1.0
213.09406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.01866	1.1
55.05515	13.9
57.03424	2.5
57.07071	3.8
59.04998	2.5
65.03953	1.6
67.05508	31.1
69.03069	1.3
69.03425	9.7
69.06720	1.6
69.07072	17.4
69.91692	4.6
71.05002	4.8
71.08625	0.9
78.32040	0.8
79.05497	5.9
81.03426	1.6
81.07059	28.9
83.04990	10.9
83.08619	11.5
85.06563	5.2
87.08170	1.0
91.05476	5.3
93.07044	13.3
95.04979	3.9
95.08607	44.2
97.06569	1.1
97.10173	3.4
99.08093	4.2
105.07028	9.3
107.08591	24.7
109.06518	11.5
109.10159	100.0
111.08089	3.7
113.09660	3.2
115.07590	1.0
119.08580	23.8
121.06541	2.0
121.10137	11.1
123.04417	1.7
123.08073	15.2
123.11705	10.7
124.05180	1.1
125.09659	3.4
133.10132	19.9
135.11696	67.0
136.12001	1.1
137.09612	15.6
139.11189	2.8
147.11702	2.3
149.05988	1.6
149.13283	5.7
151.11189	11.4
151.14839	13.8
151.42949	0.9
153.12759	2.5
155.84442	1.0
165.16359	2.0
167.07053	16.3
175.14824	18.3
179.06979	1.6
180.54222	0.9
181.08713	1.2
193.15892	16.9
211.16959	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.07979	1.8
53.27447	1.6
54.51211	1.9
55.05507	15.4
57.07063	3.8
57.90344	1.7
59.04991	4.0
67.05178	2.1
67.05507	28.3
69.03427	14.0
69.07065	16.1
69.53996	4.0
69.54411	9.4
71.04988	3.7
79.05469	7.5
81.03397	3.3
81.06577	2.3
81.07052	35.1
83.04977	13.2
83.08605	11.7
85.06528	6.2
91.05486	7.4
93.07035	11.0
95.04956	4.1
95.08604	44.2
95.67299	1.5
95.87449	1.8
97.06532	2.0
97.10144	3.4
98.21481	3.2
99.08107	4.1
102.70808	1.6
105.07011	9.8
107.08598	26.0
109.06531	14.3
109.10152	100.0
111.08054	3.7
113.09634	3.0
118.72736	1.6
119.08578	26.0
121.06360	1.7
121.10155	13.2
123.04425	3.3
123.08080	15.7
123.11700	11.6
125.09599	2.9
125.21981	2.2
133.10124	22.7
135.11684	71.2
137.09625	17.7
139.11121	1.8
147.11720	3.6
149.05957	3.1
149.13264	6.8
151.11186	8.5
151.14807	12.8
153.12724	2.2
165.16385	4.2
167.07057	24.0
175.14807	20.3
179.07114	2.2
193.15871	19.5
205.47400	1.8
211.16733	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03933	1.2
55.01891	0.5
55.05512	14.2
57.03417	1.3
57.07084	4.1
59.05003	2.7
64.60059	0.5
65.03920	0.9
67.05505	30.5
69.03429	9.4
69.07069	18.0
69.34555	0.5
70.92037	1.1
70.92432	1.1
71.03217	0.4
71.04993	4.4
71.08622	1.4
79.05485	5.4
81.07060	27.9
81.88447	0.5
83.04980	12.0
83.08624	9.4
85.06541	4.1
87.08121	0.6
91.05480	4.5
93.07043	13.7
95.04971	3.4
95.08609	40.0
96.08936	0.8
97.06523	1.5
97.10178	3.0
99.08075	3.2
105.07033	9.6
107.08596	24.7
109.06516	13.1
109.10158	100.0
110.10481	1.0
111.08095	4.3
111.11716	0.7
113.09629	2.3
117.06976	0.8
119.08588	23.3
121.10146	12.0
123.04422	1.1
123.08067	15.9
123.11710	9.4
125.09628	1.9
133.10132	18.2
135.11691	64.1
136.12015	1.3
137.09619	17.0
138.10406	1.0
139.11195	2.4
145.88559	0.5
147.11691	1.5
149.13252	4.8
151.11182	10.3
151.14815	12.2
153.12735	2.7
165.16411	2.4
167.07059	3.1
175.14825	18.3
175.16295	1.0
176.15179	0.8
179.07054	1.7
193.15891	17.1
211.16898	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	211.1695
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01871	4.1
55.05265	1.9
55.05512	23.2
57.03438	8.6
57.07074	5.3
59.05012	6.8
59.05248	1.1
65.03930	2.4
67.05508	44.7
69.03439	11.9
69.07072	29.3
69.07360	0.6
70.33468	1.1
70.92006	2.7
71.04995	19.5
71.08618	2.1
71.86554	1.0
78.04741	1.5
79.05494	16.2
81.03426	13.4
81.07062	49.0
83.04991	14.1
83.08622	19.4
85.06551	9.1
91.05492	16.2
93.07052	27.2
95.04964	13.3
95.08611	62.9
97.02908	1.5
97.06542	10.3
97.10180	4.5
99.04459	2.3
99.08076	7.9
103.05490	2.1
105.07035	22.9
107.04959	2.9
107.08606	37.7
109.06529	12.7
109.10162	100.0
110.10506	1.5
111.08102	7.1
113.06007	1.1
113.09650	2.4
115.07575	4.4
117.07055	1.9
119.08591	34.9
121.06513	4.8
121.10146	21.1
123.04445	9.7
123.08076	15.4
123.11714	26.5
125.09632	8.0
127.11207	1.6
129.07010	2.5
131.08578	1.7
133.06548	2.6
133.10138	26.8
135.11700	75.2
137.05992	3.0
137.09627	19.3
137.13254	2.4
139.11189	3.9
141.09081	1.4
147.11690	11.0
149.05974	5.6
149.09691	2.5
149.13284	8.7
151.03983	2.1
151.11179	8.1
151.14827	9.1
152.04799	2.1
153.12714	7.5
155.10707	3.2
157.10164	4.4
162.04437	1.1
163.14854	2.2
165.12793	3.2
165.16444	3.2
167.07053	60.5
167.10681	2.7
168.07523	1.8
169.10110	1.4
175.11237	4.5
175.14835	31.7
179.07060	5.5
181.08633	5.3
193.12285	4.1
193.15915	21.3
196.08807	1.3
211.13197	2.6
211.15009	1.9
211.16924	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03936	2.1
55.01866	1.2
55.05274	1.1
55.05514	16.3
57.03441	8.6
57.07064	4.5
59.04985	3.7
61.85722	1.0
65.27509	1.1
67.05173	2.0
67.05505	24.5
69.03419	3.1
69.06733	1.2
69.07076	16.5
70.64322	4.4
70.64704	1.3
71.04999	14.6
78.04705	1.7
79.05499	11.8
80.60481	1.0
81.03415	4.4
81.07063	28.0
83.04980	5.6
83.08624	11.6
85.02869	1.1
85.06566	6.1
89.14479	1.1
91.05481	8.4
93.07043	19.5
95.04959	6.3
95.08614	100.0
97.06522	6.3
97.10167	3.2
99.04443	4.6
99.08086	4.1
101.05997	1.8
103.05462	1.4
105.07033	8.8
107.04942	2.1
107.08596	18.9
108.05772	1.3
109.06543	5.3
109.10161	36.7
111.08078	2.9
113.09640	1.2
115.07565	8.8
119.04956	2.2
119.08589	24.6
121.06496	2.7
121.10164	12.4
123.04425	7.8
123.08073	5.6
123.11713	14.9
124.05212	1.6
125.09633	5.4
127.07549	1.1
131.08548	1.2
133.10149	14.5
135.10703	1.9
135.11696	25.6
137.05971	3.1
137.09642	9.1
137.13274	2.6
139.11143	4.5
141.09140	1.1
147.08109	1.7
147.11684	5.1
149.05980	3.5
149.13246	5.7
151.03947	1.1
151.07584	2.4
151.11200	2.4
151.14816	1.7
153.12845	2.2
155.10707	1.9
162.33092	1.4
163.14856	9.5
165.09128	3.0
165.16354	2.9
167.07059	50.0
175.14839	22.1
179.07068	3.4
179.08809	1.0
181.08589	2.6
181.15906	2.9
184.82726	1.0
193.08652	2.1
193.15880	18.1
211.07678	2.1
211.09479	2.1
211.14975	1.5
211.16925	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	211.1327
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03937	0.7
55.01862	1.8
55.05505	7.5
56.96526	0.6
57.03423	1.3
57.07080	4.0
60.61524	0.5
65.03942	1.1
67.05504	13.6
69.03438	3.1
69.07065	20.9
71.04990	7.2
71.60689	1.3
79.05492	11.4
81.03416	2.4
81.07053	22.9
83.04964	7.0
83.08607	1.2
84.08076	0.7
85.02921	1.0
85.06543	8.8
89.70129	0.8
91.05479	26.2
93.06467	1.3
93.07042	20.7
95.04971	13.7
95.08610	6.5
97.06531	2.1
99.04456	1.8
99.08070	0.9
105.07029	27.8
107.04945	1.9
107.08585	9.7
109.06515	23.8
109.10162	9.1
111.08060	1.4
113.06024	3.1
117.07018	0.6
119.04957	1.2
119.08569	9.2
121.06484	1.0
121.10171	3.0
123.04417	2.2
123.08071	2.8
123.11671	4.1
125.05965	1.8
125.09633	2.0
127.07556	2.8
129.06999	0.8
131.08571	8.1
133.10127	100.0
134.10442	1.1
135.08084	1.0
137.05980	11.0
137.09612	1.2
137.50134	0.6
141.05467	1.3
147.11690	19.7
149.06000	0.8
149.09570	3.1
151.07574	5.1
151.11180	65.4
152.11591	0.9
155.07028	17.1
157.10112	2.2
165.05411	0.8
165.12698	4.8
167.07051	6.5
169.08624	1.4
175.11171	9.5
179.03441	0.7
179.07021	0.9
181.08479	0.7
193.08542	0.9
193.12241	20.0
193.15956	0.7
193.58592	0.6
211.13292	13.4
219.97748	0.7
231.27245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01875	1.0
55.05303	0.5
55.05514	6.4
56.96552	0.9
57.03431	2.5
57.07080	5.0
65.03945	1.0
67.05507	14.9
69.03435	2.9
69.07071	19.8
69.96999	2.0
69.97416	1.2
71.04996	6.6
72.49698	0.5
79.05495	11.3
81.03421	2.6
81.06586	1.2
81.07060	23.7
83.04983	7.2
83.08621	1.7
85.02900	1.1
85.06543	7.2
86.18375	0.5
91.05483	27.0
93.07046	22.3
93.07639	1.2
95.04975	14.4
95.08611	6.0
97.06527	2.1
98.97603	0.6
99.04469	1.7
99.08089	0.9
103.05479	1.1
105.07037	32.7
107.04954	2.4
107.08601	10.5
109.06523	27.4
109.10145	8.2
111.04465	0.6
111.08071	1.2
113.06013	3.2
115.05419	0.7
116.98609	0.7
117.07020	1.0
119.04969	0.5
119.08583	9.5
121.06505	1.7
121.10127	3.3
123.04421	2.1
123.08084	3.2
123.11713	3.8
125.05997	1.6
125.09632	2.3
127.07563	2.4
129.07027	1.1
131.08582	7.4
133.10136	100.0
134.10455	1.5
135.11725	1.3
137.05983	10.6
137.06960	1.0
137.09575	0.9
139.07520	0.7
141.05423	0.9
142.07764	0.7
145.10063	0.6
147.08154	0.9
147.11693	24.3
149.06007	0.7
149.09645	2.6
150.48991	0.5
151.03967	0.7
151.07631	4.3
151.11189	66.5
152.11465	1.3
153.09123	0.6
155.07043	18.8
157.10094	1.2
165.12737	4.8
167.07040	10.0
169.08592	1.5
175.11192	11.2
179.07129	0.9
181.08580	0.7
191.44478	0.5
193.05008	0.5
193.12254	23.4
193.15973	0.8
197.77118	0.7
205.98737	0.7
211.07623	0.8
211.11319	1.0
211.13304	15.9
211.16631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03941	7.1
55.01878	5.8
55.05513	45.2
55.05788	2.2
57.03437	13.8
57.07052	1.4
59.05001	2.5
65.03591	1.0
65.03938	1.6
67.05505	31.7
69.03432	10.0
69.03778	1.6
69.07072	13.5
69.97418	2.6
69.97831	3.5
70.34033	1.1
71.04988	6.3
71.63512	1.3
74.36433	0.9
78.04700	1.3
79.05494	36.8
79.97488	0.9
81.03419	100.0
81.07055	43.2
83.04982	54.2
83.08141	2.3
83.08620	33.3
85.02909	1.6
85.06548	4.4
91.05483	39.1
93.07043	21.8
95.04971	38.0
95.08600	20.9
97.02900	2.2
97.06525	6.0
97.10181	8.4
98.20779	1.4
99.04431	1.5
99.08090	2.5
103.05447	2.2
105.07027	25.2
106.04170	1.7
107.04963	6.0
107.08588	10.9
109.06516	8.0
109.10142	10.6
111.04452	3.3
111.08083	11.4
115.05459	2.1
117.07005	2.4
119.04959	2.0
119.08584	22.2
121.06502	2.8
121.10130	10.3
123.04439	5.8
123.08058	4.8
123.11739	2.7
124.05181	1.3
125.06049	1.3
125.09640	4.2
128.06177	1.1
129.06993	12.9
131.08597	11.6
133.06500	4.0
133.10118	14.3
133.56996	1.2
135.08061	1.3
135.11690	4.4
137.05969	2.7
137.09624	4.1
142.07793	3.2
147.04414	1.6
147.08072	4.6
147.11674	16.7
149.05988	2.2
149.09586	5.0
151.03893	1.6
151.07533	1.6
151.11209	1.5
155.08545	1.7
157.10139	15.6
163.03894	0.9
163.11209	1.4
163.15002	1.1
165.12756	3.5
167.07043	47.0
167.10657	1.3
168.07483	1.2
169.10187	1.4
175.11200	16.5
175.14816	3.5
179.07022	3.0
181.08676	2.2
181.10284	1.0
183.11694	1.3
193.12241	34.3
193.15932	1.5
211.07637	2.3
211.09612	1.5
211.13170	13.4
211.14915	3.0
211.16924	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.02373	1.2
53.03953	4.5
55.01871	7.4
55.05514	43.4
56.96566	1.4
57.03440	12.7
57.07064	3.2
59.05003	2.3
65.03943	2.1
67.05508	38.5
69.03084	1.0
69.03432	11.8
69.07071	14.8
70.06238	0.7
70.06598	0.9
71.05004	8.3
71.60670	1.6
71.61043	1.0
73.02908	0.8
78.04707	3.2
79.05499	34.5
81.03423	100.0
81.07061	42.3
83.04987	49.2
83.08626	32.6
85.02914	1.4
85.06534	4.1
86.33030	1.1
91.05489	36.9
93.07047	26.7
94.07355	1.0
95.04976	39.3
95.08615	22.0
96.08932	1.2
97.02879	5.6
97.06528	6.4
97.10173	8.0
99.04485	1.2
99.08092	4.0
103.05463	2.5
105.04526	1.9
105.07031	30.5
106.04165	2.2
107.04960	9.8
107.08600	13.7
108.08890	0.8
109.06528	10.8
109.09465	1.3
109.10164	14.8
111.04432	2.5
111.08088	12.7
113.06001	1.6
115.05440	2.7
117.07015	2.7
119.04980	2.5
119.08588	23.9
121.06517	7.5
121.10143	10.1
122.03616	1.4
123.04432	9.5
123.08099	6.6
123.11726	4.8
124.05219	1.9
125.09647	5.1
127.07603	1.0
127.11195	3.0
129.07022	11.0
131.08588	14.3
133.06476	4.9
133.10130	14.8
135.11673	7.8
137.05986	3.9
137.09636	6.3
137.13326	1.1
139.11191	1.7
142.07773	4.0
145.10141	2.0
147.04398	1.1
147.08041	4.4
147.11699	17.6
149.05983	6.0
149.09650	8.0
149.13300	1.4
151.03923	3.6
151.07562	2.3
151.11171	2.2
151.14812	2.4
152.04700	1.5
155.08566	1.6
155.10657	1.1
157.10143	15.9
160.08810	1.5
163.97675	1.2
165.05484	1.7
165.06937	0.8
165.12767	3.5
167.07051	92.1
167.10721	2.3
168.07425	1.8
169.10141	3.2
175.11198	18.5
175.14856	3.3
179.07097	4.4
181.08618	4.5
181.09987	1.0
183.08017	1.2
193.08624	2.0
193.12257	35.1
193.15889	2.0
196.05019	0.8
196.08922	1.1
196.12534	1.2
205.98845	1.5
211.07648	1.6
211.09442	1.0
211.11316	1.8
211.13287	14.1
211.14952	2.4
211.16920	3.1
211.18785	0.9
218.68777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.63568	0.9
53.03941	3.7
55.01881	5.1
55.05510	41.5
56.73973	1.1
56.96560	8.6
57.03437	12.9
57.07058	3.4
59.04985	3.0
63.02355	1.0
65.03938	2.4
67.05503	35.3
69.03420	10.6
69.07066	12.8
69.32158	0.9
71.01326	1.4
71.04988	7.9
73.02886	0.9
78.04701	2.9
79.05492	35.0
80.95096	0.9
81.03416	100.0
81.07053	47.1
83.04978	50.8
83.08615	33.4
85.02882	1.9
85.06543	5.3
91.05478	45.7
93.07041	24.2
95.04965	39.4
95.08601	22.2
95.09866	0.9
97.02888	3.7
97.06525	6.2
97.10167	9.1
98.20697	2.0
99.04430	2.2
99.08093	3.0
103.05449	1.5
105.07024	27.6
106.04131	1.2
107.04944	8.3
107.08588	13.0
109.06511	9.6
109.10155	17.1
111.04459	3.7
111.08083	12.4
113.06037	1.2
115.05434	2.9
117.07012	2.8
119.04909	1.3
119.08578	22.2
121.06527	4.9
121.10127	13.5
123.04449	8.2
123.08059	8.0
123.11705	4.0
124.05196	1.7
125.05994	1.5
125.09624	4.2
127.07573	1.0
128.06213	1.3
129.07007	10.4
131.08563	13.2
133.06514	4.6
133.10124	14.3
135.04408	1.0
135.11678	8.9
137.05957	5.6
137.09596	4.4
137.13289	2.1
139.11136	1.3
140.56210	0.9
141.07060	1.9
142.07787	4.4
143.08540	1.3
145.10103	2.0
147.04404	1.4
147.08029	3.9
147.11694	16.9
149.02293	1.6
149.06007	5.7
149.09630	7.4
151.03889	2.7
151.07550	3.9
151.11153	2.4
151.14806	1.8
152.04678	2.3
153.07013	1.0
155.03357	1.0
155.08557	2.7
157.10127	17.1
163.97728	1.8
165.05481	1.4
165.12766	5.5
167.07037	93.0
168.07449	1.3
169.10115	4.3
170.05763	1.5
175.11171	16.1
175.14778	1.9
179.07033	5.6
180.07744	1.5
181.04956	5.3
181.08623	1.8
181.10080	1.2
183.11702	1.7
193.08534	2.2
193.12228	33.7
193.15875	3.1
196.07277	7.3
196.08826	1.3
196.12399	1.4
205.98792	2.7
211.07846	1.3
211.09628	5.2
211.11314	1.3
211.13084	15.6
211.14861	6.3
211.16789	1.6
229.07759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71744	0.2
53.03944	0.4
55.01867	0.7
55.05511	1.2
56.39743	0.2
56.96568	1.4
57.03430	0.3
57.07069	0.3
58.06576	0.3
65.03934	0.2
67.05508	1.2
68.05043	0.4
69.03418	0.8
69.07064	0.7
70.03727	0.3
70.06585	1.0
70.25816	0.2
70.76936	0.5
71.04969	0.4
73.02934	0.3
78.04704	0.2
79.05491	1.0
80.05025	0.4
81.03411	0.7
81.07046	1.7
82.06594	1.0
83.04970	0.4
83.08590	0.6
84.08138	0.9
85.02898	0.3
85.06532	0.4
86.06024	0.2
91.05484	1.1
92.05819	0.4
93.07036	1.5
94.06559	3.4
94.07335	0.5
95.04944	0.9
95.08603	1.1
96.05335	0.2
96.08146	1.3
97.02908	0.5
97.06560	0.2
98.06052	0.2
98.09676	0.3
98.97566	0.3
99.04433	0.2
103.05473	0.4
104.05779	0.2
105.07045	0.7
106.07376	0.3
107.08562	1.1
108.05267	0.2
108.08117	0.9
108.08925	0.6
109.02859	0.2
109.06530	0.5
109.07661	0.2
109.08900	1.3
109.10159	0.5
110.09722	0.9
112.07602	2.2
112.11234	0.5
119.04936	0.2
119.08557	0.4
121.06506	0.6
121.10140	0.4
122.06056	0.2
122.06864	0.7
122.09661	2.9
122.10477	0.5
123.04461	1.0
123.08068	0.5
123.10445	1.7
123.11683	0.4
124.11235	2.9
125.09623	0.6
132.08904	0.8
133.06454	0.2
135.11659	0.9
136.11223	3.6
137.05977	0.4
137.12009	2.9
137.13190	0.5
138.12778	1.8
146.10487	0.4
146.99644	0.2
147.04417	0.5
147.11700	0.2
149.05952	0.6
149.09598	0.3
150.06308	0.5
150.10037	1.0
150.12704	0.2
151.03894	0.3
151.07545	0.4
151.13589	0.2
161.01216	0.2
164.11493	0.4
164.14337	3.1
166.15910	100.0
167.07040	4.6
167.16275	1.6
168.05406	0.2
168.07407	0.3
168.17523	0.4
177.05714	0.2
178.05824	0.7
179.07030	1.4
185.04851	0.2
191.05930	0.5
192.14767	0.2
193.08614	0.2
198.06540	0.6
203.05844	0.3
205.98833	0.2
210.11902	0.5
210.18526	41.5
211.09593	0.2
211.18839	0.6
229.03816	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	4.6
55.01865	10.9
55.05513	19.1
57.03429	10.0
57.07067	7.8
57.61632	2.6
59.04986	6.7
65.03941	9.0
67.05499	18.3
68.99787	4.1
69.03419	7.2
69.07067	19.2
70.16895	13.6
71.04986	11.2
78.49899	2.7
79.05486	28.1
79.49686	2.8
80.31998	2.7
81.03427	3.0
81.07054	49.0
83.04982	17.8
83.08631	13.0
85.02895	7.2
85.06543	8.1
89.03911	3.1
91.05471	34.0
93.03419	8.2
93.07038	44.4
95.04969	44.0
95.08602	23.0
97.06518	27.9
97.10166	5.4
99.04440	10.2
99.08069	12.7
101.48253	2.5
103.05465	8.2
105.07018	27.7
106.04164	23.6
107.04959	8.8
107.08588	59.2
109.06509	100.0
109.10153	27.3
111.08064	13.3
113.09576	3.0
117.07025	3.6
119.04949	3.2
119.08592	11.6
121.06487	31.8
121.10135	46.7
123.08082	17.8
123.11707	9.7
125.05981	9.2
125.09594	15.1
131.05005	4.2
131.08546	13.1
133.10118	47.1
135.08066	24.3
135.11684	11.3
137.05981	5.5
137.09610	10.8
139.07516	7.9
139.11145	2.8
145.10165	7.0
147.11679	8.8
148.05151	4.8
148.32875	2.6
149.05963	21.2
149.09627	62.1
149.13274	24.7
151.11165	31.7
153.09102	31.1
158.10893	4.9
163.14809	14.1
167.07051	10.6
173.13271	27.3
177.05502	12.0
181.04898	3.3
181.08548	5.2
191.14323	43.3
203.43979	2.3
209.08063	11.8
209.15364	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.08105	1.0
53.03938	2.4
55.01867	4.6
55.05505	8.6
57.07066	2.4
58.73793	1.2
59.04992	2.7
65.03938	3.7
67.05508	9.9
68.72453	0.9
69.03428	12.8
69.07063	16.1
69.37969	10.5
71.04993	8.0
75.04456	1.4
78.04704	2.6
79.05486	12.3
81.03424	1.7
81.07056	19.8
83.01314	1.0
83.04984	16.8
83.08611	6.7
83.99577	1.0
85.02882	1.4
85.06523	2.4
89.03919	1.2
91.05474	16.9
93.03390	4.9
93.07045	18.1
95.04970	15.5
95.08606	29.8
97.02890	1.4
97.06532	10.1
97.10153	1.2
99.04464	1.2
99.08085	4.8
103.05464	3.9
105.07034	12.7
106.04182	11.9
107.04945	4.2
107.08592	43.8
109.06527	14.1
109.09451	1.7
109.10143	12.3
111.04422	1.5
111.08071	6.8
113.09618	1.5
117.06989	2.9
119.04952	2.9
119.08539	6.1
121.05654	1.0
121.06491	18.1
121.10144	31.8
121.10938	1.2
123.04418	1.6
123.08054	7.9
123.11674	4.0
124.05196	1.3
125.05984	4.2
125.09631	14.3
131.04919	2.6
131.08572	7.8
133.10126	17.2
134.03595	2.3
135.04443	1.4
135.08057	13.9
135.11685	6.4
137.05975	2.0
137.09599	4.2
137.13237	1.0
139.07549	3.9
139.11172	3.0
143.08546	1.2
145.02817	1.3
145.10135	4.9
147.04398	1.5
147.08070	1.4
147.11700	8.2
148.05185	3.2
149.04910	1.9
149.05971	14.2
149.09634	16.7
149.12177	0.6
149.13260	19.4
151.11180	100.0
152.11490	1.2
153.09090	7.4
153.24109	1.1
158.10921	4.2
163.03908	0.9
163.11191	3.2
163.14835	9.2
165.12717	6.2
167.07083	4.7
167.10753	1.3
167.14360	1.9
173.13239	14.3
177.04340	0.8
177.05518	8.5
181.04874	1.3
181.08644	2.6
191.10612	1.8
191.14310	48.2
194.02107	3.4
194.05783	1.9
209.04463	3.6
209.08115	8.1
209.11729	1.5
209.15370	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	3.8
53.33868	1.6
55.01876	2.8
55.05516	9.9
57.03424	2.8
57.07077	3.8
59.04988	2.1
65.03945	2.2
67.05505	10.4
69.03435	14.0
69.07074	10.8
69.28513	11.2
69.28931	7.8
71.04997	5.0
79.05493	12.2
81.03410	10.5
81.07061	22.8
83.04985	13.6
83.08627	6.4
85.02941	1.8
85.06544	2.9
91.05473	13.7
93.07047	16.7
95.04970	24.0
95.08607	19.9
97.06538	4.3
97.10165	2.7
99.04475	3.1
99.08106	5.8
103.05472	3.2
105.07044	12.2
106.04186	3.9
107.08604	32.8
109.06519	21.6
109.10155	9.3
111.08107	5.8
117.07063	2.4
119.04929	2.3
119.08582	10.7
121.06515	13.6
121.10161	22.6
123.08065	17.5
123.11703	9.7
125.05981	2.8
125.09649	5.6
131.08575	6.4
133.10130	6.9
135.08046	7.6
135.11685	5.3
137.09627	6.8
145.10063	2.0
147.11685	8.2
149.06000	6.5
149.09631	28.0
149.13275	16.3
151.11201	20.8
153.09126	7.4
158.10869	2.0
163.14780	5.2
165.12761	100.0
167.07051	3.2
167.14282	2.7
173.13326	8.2
177.05508	3.9
182.00835	2.1
191.07124	1.7
191.14310	19.5
209.08066	5.2
209.15390	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.2
55.01856	2.2
55.05510	10.4
57.03438	6.6
57.07058	3.6
59.05000	6.3
62.83449	0.9
65.03922	1.8
66.31939	0.9
67.05501	11.0
68.42609	0.8
68.99773	4.1
69.03428	8.1
69.06728	1.4
69.07069	16.4
69.38020	2.6
69.38431	5.8
71.05003	5.8
79.05064	1.1
79.05491	13.1
81.03416	2.7
81.07058	25.9
83.04980	20.9
83.08624	9.0
84.56360	0.8
85.02885	2.0
85.06534	7.9
88.43996	1.0
90.03442	1.3
91.05483	13.2
93.07046	29.6
95.04978	8.3
95.08609	25.4
97.06532	8.9
97.10168	1.9
99.04434	3.6
99.07489	1.5
99.08098	23.7
103.05434	2.1
105.07042	14.3
106.04143	2.0
107.04945	3.1
107.08595	53.3
109.05801	1.1
109.06515	15.8
109.09461	1.6
109.10160	21.6
111.04433	2.3
111.08074	10.4
117.06992	1.6
119.06123	1.1
119.08604	7.4
121.06503	10.4
121.10145	33.9
123.08073	15.8
123.11698	8.3
125.05998	8.2
125.09621	13.5
125.13231	1.0
126.01079	17.4
129.06996	0.9
131.08571	12.4
133.10133	21.5
134.03596	1.0
135.08061	16.4
135.11690	6.7
137.08627	1.2
137.09639	11.3
139.07549	7.8
139.11163	3.1
143.08554	1.2
145.10126	5.1
147.11703	7.9
149.05956	4.0
149.09627	100.0
149.13252	29.0
151.11182	56.3
153.09119	14.4
154.09822	2.6
158.10922	2.7
163.11163	4.8
163.14832	13.9
165.12810	1.0
167.07051	1.5
167.10728	0.9
173.13275	22.9
177.05481	2.6
191.14310	41.7
209.04297	1.1
209.06084	1.9
209.08061	2.5
209.15367	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.24987	2.0
53.03961	2.2
55.01866	2.5
55.05525	12.0
56.83054	1.9
57.03428	4.0
57.07072	3.6
59.04988	3.4
65.22792	1.7
67.05518	13.3
68.99811	4.5
69.03446	5.9
69.07073	13.5
69.72746	6.1
69.73179	7.8
71.04989	7.2
79.05503	9.6
79.38612	2.0
81.07054	23.7
82.56888	1.9
83.04985	20.1
83.08630	6.8
85.06544	7.6
90.79572	1.9
91.05480	10.8
93.07040	25.8
95.04985	8.2
95.08613	19.3
97.06539	8.1
97.10181	2.4
99.08102	22.9
105.07023	13.8
106.04176	2.6
107.08598	44.3
109.06542	8.9
109.10166	17.7
110.73328	2.0
111.04435	4.1
111.08060	9.7
119.08601	6.2
121.06477	9.4
121.10147	24.7
123.08054	12.5
123.11726	7.2
125.06010	11.2
125.09601	13.9
125.13378	2.1
131.08577	11.6
133.10121	20.7
135.08069	11.6
135.11685	6.2
137.09631	8.7
139.07544	9.0
139.11208	3.3
145.10123	4.1
147.11679	7.4
149.06015	5.7
149.09624	100.0
149.13261	23.0
151.11185	48.3
153.09068	13.9
158.10892	2.3
163.11172	2.4
163.14861	15.9
173.13248	17.1
191.14305	35.1
202.53273	2.1
209.15366	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	2.3
55.01858	4.6
55.05508	13.5
57.03420	5.6
57.07053	5.5
59.04982	6.3
65.03923	1.8
67.05238	1.3
67.05501	14.2
68.99779	4.2
69.03422	8.4
69.07059	19.4
71.04990	7.3
71.34296	3.0
71.34637	1.5
79.05484	16.5
81.03408	2.4
81.06586	2.0
81.07051	29.5
83.04975	25.8
83.08620	9.4
85.02880	2.2
85.06541	8.7
91.05472	18.7
93.03397	1.8
93.06472	2.5
93.07034	37.7
95.04948	10.9
95.08598	29.1
97.06525	11.6
97.10152	2.0
99.04450	4.1
99.08088	23.6
103.05421	1.8
105.07023	18.2
106.04156	5.5
107.04935	9.2
107.08587	56.9
109.06512	16.7
109.10156	22.7
111.04427	3.4
111.08081	11.0
113.09605	1.6
117.07027	3.1
119.08592	8.2
121.06489	16.4
121.10136	37.4
123.08067	18.9
123.11698	7.3
125.05991	11.5
125.09621	15.2
125.13319	1.5
131.08548	15.0
133.10123	26.0
135.08029	19.4
135.11661	7.0
137.09622	11.0
139.07516	9.4
139.11148	4.4
145.10103	6.5
147.11642	5.8
149.05971	5.4
149.09613	100.0
149.13231	24.2
151.09950	3.0
151.11166	50.3
153.09096	15.7
154.09836	1.8
158.10901	3.1
163.11150	4.6
163.14827	18.1
167.07011	6.0
173.13260	22.1
177.05460	2.8
181.08426	1.4
186.32176	1.4
191.14297	35.9
209.08051	2.9
209.15349	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03952	2.1
54.41570	0.9
55.01863	2.7
55.05511	27.3
57.03421	2.9
57.07082	5.0
59.04988	3.1
62.08741	1.0
65.03931	2.7
67.05506	12.5
68.99783	1.4
69.03431	24.8
69.07070	15.1
70.73578	2.7
71.04988	5.3
79.05502	8.6
81.06602	1.1
81.07057	15.2
83.04980	21.0
83.08621	10.7
84.72456	0.8
85.06541	8.8
91.05478	10.9
93.03396	1.4
93.06487	1.4
93.07044	17.4
95.04983	6.4
95.08066	1.3
95.08616	17.3
97.06538	5.5
97.10171	17.6
99.04494	1.7
99.07510	1.1
99.08096	13.0
103.05469	1.9
105.07030	8.6
106.04160	2.6
107.04974	1.7
107.08595	40.8
109.06513	10.0
109.10168	14.7
111.04421	2.1
111.08069	9.1
113.06012	8.7
113.09645	1.2
114.13293	0.9
117.07005	1.3
119.08588	2.8
121.06498	8.7
121.10143	28.2
123.08052	5.3
123.11707	5.1
125.06017	7.4
125.09632	100.0
125.13311	1.5
126.09946	1.3
127.07487	1.3
131.04913	1.0
131.08583	6.1
133.10135	13.0
135.08054	12.1
135.11736	4.5
137.09604	4.1
139.07567	7.3
139.11191	4.4
139.12154	1.1
143.08568	1.3
145.10124	3.0
147.11694	4.2
148.05154	1.6
149.04916	1.0
149.06096	4.8
149.09622	68.3
149.13252	15.4
151.11183	39.8
153.09116	24.0
154.09866	2.3
158.10921	2.3
163.11232	1.6
163.14825	14.3
165.12790	1.1
167.07047	2.5
167.10661	2.1
167.14337	2.8
173.13246	12.2
177.05536	4.3
181.08655	0.9
189.70596	0.8
191.14317	31.9
191.16068	1.7
191.26442	0.8
194.02109	1.6
194.05733	1.7
209.04468	2.5
209.08066	3.3
209.15369	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03944	4.5
55.01874	6.9
55.05509	7.1
56.96551	3.9
57.03419	4.3
57.07063	2.2
65.03927	4.2
67.05501	9.0
68.99781	1.2
69.03414	3.7
69.06720	1.5
69.07066	20.8
71.04994	20.5
71.06633	2.4
72.08137	0.9
77.03916	1.3
78.04688	2.1
79.05491	43.2
81.03409	1.4
81.07056	11.5
83.04645	0.7
83.04987	8.3
83.08580	1.4
85.02896	1.6
85.06519	1.5
89.03899	1.8
91.04903	1.0
91.05477	32.3
93.03379	5.0
93.07040	45.8
95.04967	15.5
95.08583	3.3
97.06520	10.1
98.97571	1.0
99.04450	1.5
99.08136	1.1
103.05467	5.7
105.03307	0.9
105.04496	1.3
105.07025	31.4
106.04191	7.4
107.04956	19.0
107.08588	54.6
109.06513	10.5
109.10129	1.4
111.04428	3.4
111.08096	1.4
117.07008	8.2
119.04946	6.7
119.08577	9.2
119.30013	0.9
121.02851	1.0
121.06502	48.3
121.10136	32.3
123.04411	3.7
123.08056	4.0
125.05978	9.5
125.09627	3.5
129.06987	3.8
130.07780	3.5
131.04904	3.6
131.08563	100.0
132.08910	1.0
133.02855	1.4
133.06416	1.1
133.10097	2.9
134.03656	1.7
134.12328	1.2
135.04390	5.1
135.08087	5.0
135.11685	5.4
137.05960	3.4
137.09550	1.0
139.03783	1.4
139.07524	3.6
139.11177	2.0
141.05437	3.5
143.00134	1.2
143.08653	1.0
145.06403	1.2
145.10115	36.1
146.10480	1.1
147.04407	15.7
147.08011	2.7
147.11661	3.4
148.05171	2.4
149.02287	2.4
149.04935	1.7
149.05994	14.8
149.09618	80.2
150.09921	1.5
151.03841	1.5
151.07521	2.2
151.11137	2.2
153.01852	1.4
153.05457	14.2
153.09106	5.1
155.07031	1.1
156.13025	1.0
159.04414	2.4
161.01199	2.1
163.03867	3.5
163.07520	1.9
163.11183	31.7
163.14809	1.1
164.93710	1.2
165.09076	2.7
167.07025	28.8
167.10675	4.9
173.09636	3.6
176.04700	1.4
177.04314	1.3
177.05516	10.9
181.04915	2.3
181.08569	1.7
187.02902	1.5
189.00636	1.1
191.07042	1.9
191.08928	1.9
191.10660	28.5
191.14311	3.0
194.00551	1.1
194.02055	5.5
194.05721	2.4
209.04477	11.1
209.08165	11.6
209.11714	48.3
209.13670	2.3
209.15221	9.4
210.11484	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03931	3.5
53.85497	0.7
55.01866	7.7
55.05506	8.5
56.96564	1.1
57.03426	3.3
57.07056	2.8
59.05023	1.2
62.18118	0.8
65.03925	4.1
67.05166	1.5
67.05502	19.1
69.03426	7.7
69.07070	12.9
70.20902	0.9
71.04990	18.1
71.12239	2.5
75.04460	0.9
77.03880	0.9
77.99747	0.7
79.05492	44.2
81.03402	2.9
81.07055	12.2
83.04980	16.6
83.08620	3.0
84.46040	0.7
85.02879	1.4
85.06502	4.4
86.09695	0.9
87.04444	1.4
91.04894	1.1
91.05478	29.4
93.03384	2.2
93.07040	37.0
95.04968	38.3
95.08603	5.0
96.72817	0.9
97.06532	10.1
99.04436	4.4
99.08081	2.6
103.05460	5.0
105.03340	1.1
105.07031	23.2
106.04183	6.6
107.04956	28.5
107.08593	45.8
109.02865	1.9
109.06504	9.5
109.10134	2.7
111.04446	6.3
111.08052	2.1
113.06002	1.0
115.05471	0.9
116.06231	2.5
117.07035	8.5
119.04948	1.8
119.08573	16.2
121.05792	0.8
121.06503	30.4
121.10139	30.6
123.04428	4.3
123.08059	4.8
123.11725	1.4
125.05992	11.6
125.09628	6.0
127.03817	1.1
129.07016	5.4
130.07735	2.6
131.04933	2.2
131.08566	73.1
132.08934	1.5
133.06514	1.3
133.10118	4.0
134.03648	1.1
135.04411	2.7
135.08046	7.2
135.11681	8.5
137.05981	2.4
137.09615	1.7
139.03862	1.0
139.07565	4.3
141.05394	1.5
143.08601	1.9
145.06465	2.2
145.10124	44.2
145.11282	2.1
147.08034	6.8
147.11676	3.2
148.05141	2.6
149.05981	13.7
149.09616	100.0
149.13237	2.3
150.09996	1.7
151.07568	1.5
151.11192	4.8
153.05467	6.3
153.09100	10.2
155.07056	1.0
155.08539	2.7
163.07504	7.8
163.11182	33.6
163.14856	2.4
163.98923	1.0
165.09129	16.3
167.07065	8.1
167.10663	11.3
167.14307	2.5
173.09618	10.6
173.13272	3.7
177.05493	8.1
181.04971	2.9
181.08615	1.6
191.10667	52.2
191.14285	6.9
194.05722	1.9
209.02687	1.6
209.04465	4.3
209.08423	7.6
209.11726	63.2
209.15273	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02371	0.9
53.03939	2.6
55.01873	8.4
55.05507	11.1
57.03421	3.4
57.07065	2.5
63.79821	0.8
65.03935	3.8
67.05505	22.4
69.03432	8.2
69.07066	13.5
70.42920	2.2
71.04996	17.4
73.02876	1.0
77.03928	1.4
78.04682	1.4
79.05493	47.5
81.03399	2.7
81.07059	16.1
83.04983	18.8
83.08619	3.6
85.02910	2.3
85.06539	5.7
87.04491	1.0
89.03943	1.0
91.04897	1.4
91.05478	33.6
93.03407	2.4
93.07043	40.3
93.07635	1.9
95.04967	41.6
95.08610	6.0
97.06522	11.2
97.10152	1.9
98.20879	1.0
99.04447	7.1
99.08076	2.4
103.05463	4.2
105.04521	1.4
105.07029	27.4
106.04167	8.7
107.04956	31.8
107.08594	55.4
108.05266	0.8
109.02899	1.4
109.06523	12.8
109.10149	3.9
110.07149	1.3
111.04438	8.9
111.08079	3.0
113.05954	1.2
115.05483	1.6
116.06237	1.5
117.03374	1.3
117.07011	8.5
119.04929	2.2
119.08576	17.0
121.06504	33.8
121.10139	32.1
121.11019	1.6
123.04439	5.9
123.08097	4.3
123.11681	2.3
125.05990	13.5
125.09614	6.8
127.03934	1.5
129.07016	5.7
130.07747	3.0
131.04900	3.3
131.08566	79.5
133.06430	1.3
133.10141	4.9
134.03604	2.2
135.04416	3.5
135.08058	6.4
135.11667	8.5
137.05936	3.0
137.09622	2.2
139.07542	3.6
139.11168	0.9
141.05457	1.6
143.08569	1.7
145.02840	1.2
145.06505	3.0
145.10121	42.1
147.04454	1.6
147.08041	8.5
147.11699	2.5
148.05135	2.7
149.05992	14.8
149.09621	100.0
149.13280	3.9
150.10040	1.1
151.03856	1.2
151.07524	1.7
151.11224	5.8
153.05441	7.2
153.09113	12.3
155.07071	1.0
155.08522	1.3
163.03929	2.0
163.07564	5.7
163.11188	33.5
163.12550	1.9
163.14812	2.5
165.09111	19.1
167.07050	7.5
167.10678	11.7
167.14288	3.3
173.09637	9.3
173.13286	2.7
177.05502	10.4
181.04988	3.2
181.08577	2.5
191.07030	1.9
191.10672	50.7
191.14302	10.0
194.02069	1.5
194.05783	1.8
209.04449	3.3
209.08258	7.5
209.11726	61.2
209.15259	16.9
210.11983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1696
Annotation	2-Dehydrococcinelline
Peak:m/z	Relative Intensity
53.03940	1.5
55.01875	6.0
55.05525	3.1
55.05761	0.6
55.96470	0.6
56.05022	0.7
56.96549	1.8
57.07067	1.2
58.02961	5.4
65.03947	0.7
67.05511	4.4
69.03414	1.0
69.07083	3.7
69.39771	6.5
70.06588	1.2
71.05005	0.7
74.06088	0.8
75.66251	0.6
79.05490	7.4
80.05832	0.7
81.07059	9.5
81.22578	0.6
83.04980	1.5
83.08623	0.8
91.04972	0.7
91.05483	7.8
92.05803	1.5
93.07045	55.5
94.07357	1.0
95.04959	2.6
95.08613	6.3
96.08947	0.9
97.06534	4.0
103.05420	1.1
105.07025	2.3
107.04967	1.3
107.08595	16.2
108.08161	0.8
109.06516	1.3
109.10168	3.0
110.06017	1.0
110.09663	1.2
110.10399	0.7
110.79814	0.7
112.11243	2.6
117.95939	1.0
119.04924	0.7
119.08577	0.8
120.05253	0.9
121.06494	1.9
121.10144	1.5
124.08369	0.9
130.04231	0.7
132.08124	0.7
133.10101	1.2
135.08064	1.2
135.11691	23.0
135.97008	0.9
138.09135	1.0
139.07523	0.8
142.50955	0.7
148.04652	1.0
149.05945	1.4
149.09615	2.0
149.13278	4.7
150.09003	0.8
150.10040	0.7
153.09065	1.1
159.11758	0.6
164.10718	4.5
164.14334	1.0
165.11430	1.1
166.12282	0.8
166.96347	0.7
177.05496	2.0
177.12802	1.8
190.15880	2.6
191.10703	0.7
191.14294	0.8
208.16969	100.0
209.04433	1.5
209.08009	1.0
209.15361	4.6
209.17334	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03932	4.0
54.88898	1.2
55.01860	5.6
55.05513	6.8
56.71539	1.1
57.03419	4.2
65.03939	2.7
67.05492	8.1
69.03426	2.4
69.07064	18.3
69.90903	4.8
69.91309	2.8
71.04993	21.0
77.03889	1.5
79.05489	43.5
79.95107	1.4
81.03414	1.5
81.07050	10.4
83.04570	1.3
83.04984	10.6
85.02895	1.6
85.06496	1.1
91.05475	29.6
93.03413	2.6
93.06477	2.4
93.07040	38.9
95.04967	13.1
95.08593	2.1
97.06520	9.2
98.21395	2.2
103.05444	5.2
105.04453	1.5
105.07027	24.3
106.04196	5.7
107.04966	18.2
107.08588	49.8
109.06516	6.9
111.04448	4.0
116.06241	2.3
117.06969	6.7
119.04958	2.2
119.08588	8.2
121.06503	40.1
121.10133	26.9
123.04436	1.7
123.08069	3.8
125.05988	10.4
125.09566	1.3
128.03059	1.1
129.06981	2.9
130.07756	3.2
131.08568	100.0
133.06502	1.4
135.04367	4.0
135.08035	3.5
135.11642	4.1
137.05988	1.9
139.07512	3.9
141.05452	3.8
143.08545	1.3
145.10118	34.6
147.04385	1.4
147.08073	3.4
147.11649	4.1
148.05132	3.4
149.05980	13.5
149.09612	69.0
151.07521	1.9
151.11142	1.6
152.48257	1.1
153.05475	14.2
153.09085	2.5
163.03972	1.6
163.11160	26.3
165.09091	3.3
167.07045	7.1
167.10715	2.7
171.55289	1.3
173.09587	3.7
177.05461	4.8
181.08641	1.5
191.10670	31.2
191.45346	1.4
194.00273	4.1
194.01956	1.9
194.05756	2.8
209.02617	3.0
209.08353	7.9
209.11710	47.5
209.15300	4.3
210.12035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1334
Annotation	1-Methyl-corypalline
Peak:m/z	Relative Intensity
54.10902	0.4
55.01871	1.0
55.05503	0.6
56.05040	0.7
56.96564	2.5
57.03376	0.4
58.06599	10.0
59.06104	0.5
59.07107	0.7
59.07380	5.4
60.08164	30.1
61.02912	0.4
65.03968	0.5
67.05482	0.8
69.03423	1.0
70.06583	0.4
71.04444	1.0
71.04798	0.5
77.03906	0.7
79.05492	17.3
79.08645	0.4
80.05036	0.4
81.04507	0.4
81.07042	1.4
83.04962	0.9
84.08141	0.7
85.02932	0.6
91.05483	2.0
92.05798	1.1
93.07051	2.7
94.06564	0.8
95.04971	1.9
95.08602	0.5
97.07619	0.5
98.97567	0.8
103.05466	63.7
105.07051	2.6
107.04955	39.9
107.08595	0.8
108.05286	0.5
109.06531	0.5
109.07652	0.8
111.04420	0.9
116.98567	0.5
119.04965	0.8
120.05280	1.1
121.02813	0.5
121.06525	2.6
121.10109	0.7
123.04394	0.5
123.08014	0.5
124.07567	1.1
125.07121	0.6
125.09605	0.6
131.04927	52.0
132.05244	0.6
134.09634	0.5
135.04295	0.5
142.70764	0.5
148.04922	1.3
148.08575	0.4
149.05981	13.9
149.09589	0.9
151.03745	0.4
151.11163	0.5
156.82072	0.4
162.05438	0.6
162.09125	1.1
163.03920	0.8
176.04199	1.2
177.05476	1.3
179.03432	0.5
180.06534	0.5
188.32414	0.5
194.05751	1.0
208.06184	1.7
208.13326	100.0
209.04442	0.6
209.08051	1.8
209.13638	1.8
209.15265	0.8
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	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03938	4.5
55.01869	1.3
55.05506	4.9
56.96574	0.9
57.07064	0.6
57.86864	0.6
59.05003	0.6
65.03932	2.6
67.05502	21.6
69.03416	1.0
69.07059	6.0
70.06778	3.1
71.04988	2.6
77.03938	1.3
79.05491	38.1
81.03423	1.6
81.06574	1.1
81.07054	18.3
83.04984	2.4
83.08606	1.4
85.02921	1.0
85.06548	3.3
89.03888	1.0
91.05479	66.4
93.07040	100.0
94.07361	0.7
95.04968	16.3
95.08602	12.9
97.06524	1.8
103.05457	0.9
105.04539	2.7
105.07029	25.4
107.04956	1.2
107.08597	9.6
109.06508	4.7
109.10160	1.2
113.05943	0.8
114.55299	0.6
115.05437	0.9
115.96412	0.8
116.97218	0.8
117.07001	3.9
118.04166	1.6
119.04947	15.6
119.08573	16.0
121.06498	1.8
121.10151	3.0
121.30331	0.6
123.08072	6.6
123.11694	1.0
127.07525	0.9
128.06204	1.7
129.06989	8.3
131.08536	2.1
132.02063	1.2
133.06483	1.1
133.10110	5.5
133.97450	1.0
135.08028	1.0
137.09613	1.3
143.08559	5.0
145.10118	7.4
146.03592	1.7
147.04401	13.3
147.08047	2.7
147.11681	52.3
148.12013	0.8
149.02345	2.6
149.09650	3.9
151.07532	2.7
156.09364	0.8
161.09639	3.4
161.13245	7.9
163.03969	0.9
163.11179	1.3
164.04659	2.9
165.09114	1.0
165.12817	0.7
171.11676	18.7
174.03076	1.2
175.03912	13.2
179.07013	3.7
181.68671	0.6
189.12747	13.2
189.16380	0.8
192.04176	3.9
207.06508	12.2
207.09785	0.8
207.13785	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03949	6.0
55.01875	1.6
55.05515	9.7
56.96571	0.7
60.02229	0.6
60.25912	0.6
62.84769	0.6
65.03950	1.5
67.05511	27.5
67.05877	1.3
68.47120	0.5
69.07076	8.3
70.67014	1.9
71.04993	2.1
73.06563	1.2
77.03938	1.8
79.05498	50.3
80.05854	0.7
81.03429	1.6
81.07061	23.2
83.04964	3.4
83.08633	2.6
85.06541	2.9
87.04520	0.6
91.05486	56.5
93.07049	100.0
93.16496	0.7
94.07381	1.2
95.04973	19.8
95.08614	10.7
97.06533	1.9
97.10185	1.2
99.08119	0.7
103.99258	0.6
105.04521	2.9
105.07034	27.3
107.04997	1.1
107.08601	10.5
109.06529	5.6
109.10177	1.7
115.05456	0.9
117.07010	5.6
119.04953	5.9
119.08591	15.5
121.06520	2.7
121.10154	2.9
123.08069	4.7
127.07545	1.2
128.06247	1.5
129.07004	9.7
131.08594	1.6
133.10141	6.2
135.08028	1.0
135.11726	0.8
136.05287	0.6
139.07527	0.8
143.08551	5.7
145.10123	9.6
147.04422	6.0
147.08060	2.2
147.11699	54.9
148.12059	1.3
149.09639	1.2
156.09389	1.0
161.09642	3.4
161.13260	9.0
163.11273	0.9
164.04707	1.0
165.09132	0.6
169.10132	0.7
171.11700	21.8
174.03096	0.7
175.03923	5.8
179.07040	1.2
189.12766	11.1
192.04221	1.4
193.97884	0.7
207.06551	4.0
207.13792	20.6
210.91460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03957	8.0
53.04159	1.4
53.41149	1.1
54.18064	1.1
55.01870	1.5
55.05507	9.2
56.96576	1.6
57.03428	1.2
65.03931	2.3
67.05506	29.7
69.03421	1.3
69.07067	6.6
69.31399	2.8
69.31824	10.2
71.04991	3.7
77.03918	2.0
79.05495	50.2
81.03437	2.2
81.07060	25.6
83.04977	2.9
83.08620	3.0
85.06543	2.9
87.04510	1.2
91.04904	1.7
91.05485	60.5
93.07047	100.0
94.07372	1.4
95.04974	19.3
95.08608	15.9
97.06532	2.5
97.10181	1.3
105.04540	2.3
105.07032	31.8
107.08617	12.0
109.06522	6.1
109.10160	2.2
115.96434	3.9
117.07002	7.2
119.04952	6.4
119.08593	17.1
121.06506	1.4
121.10159	4.1
123.08089	9.8
123.11691	1.4
127.07600	2.2
128.06227	1.9
129.07025	9.5
133.10135	5.1
133.97484	1.7
137.09587	1.9
143.08546	5.5
145.10136	8.6
147.04390	5.2
147.08043	2.6
147.11693	53.8
149.02385	1.3
149.09599	4.6
161.09647	3.3
161.13266	10.9
163.03954	4.8
163.11128	1.4
171.11710	20.9
175.03889	5.7
189.12723	12.6
191.68439	1.3
192.04211	1.2
207.06551	6.7
207.11871	2.5
207.13814	22.1
207.17345	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.9
55.01851	1.3
55.05500	6.6
57.07076	5.1
59.04987	1.9
65.03914	3.5
67.05501	30.8
67.40598	0.7
69.03432	5.0
69.07055	4.2
69.59148	1.3
69.59547	5.1
69.78911	0.8
71.04984	1.7
79.05479	5.6
81.07052	7.7
83.04957	3.7
85.02880	1.2
85.06067	1.3
85.06539	9.9
86.66500	0.8
91.05476	21.5
91.75051	0.9
91.76896	0.8
93.07052	14.9
95.04979	7.3
95.08603	100.0
96.08873	1.1
97.06535	2.2
99.54205	0.9
103.05431	1.2
105.07026	21.1
107.04951	1.0
107.08590	22.0
109.06521	6.9
109.10130	4.1
111.08053	2.6
113.05347	1.0
113.05974	5.2
116.06104	0.9
117.06971	1.1
118.04179	1.2
119.04936	11.4
119.08577	35.2
120.09370	1.2
121.06519	4.3
121.10140	15.8
123.04474	1.3
123.08062	68.0
123.11709	8.4
125.09583	1.2
129.06947	1.6
131.08569	5.8
133.06451	2.6
133.10136	8.0
135.08038	3.5
135.11685	3.7
137.09587	6.4
137.13222	1.6
139.07501	1.3
143.08514	2.1
145.10089	1.9
147.04396	9.2
147.08041	7.2
147.11690	16.1
149.09616	38.5
151.07527	2.6
151.14833	4.8
156.09314	2.6
159.08075	2.1
159.11673	1.9
159.91263	0.9
160.08786	1.5
161.09618	2.7
161.13248	22.7
163.11166	3.7
165.09087	2.5
165.12744	11.9
171.11630	4.2
174.10376	4.3
175.03903	10.1
179.07005	1.0
179.14313	2.9
181.10390	1.0
189.12735	19.7
190.13065	0.9
192.04088	1.4
207.06573	4.8
207.13788	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	1.9
55.01874	2.2
55.05503	7.7
57.07059	3.0
59.04993	2.8
65.03944	4.1
67.05516	19.1
69.03436	11.0
69.07068	6.1
69.46293	7.8
69.46728	6.5
71.04978	4.6
78.04749	1.9
79.05490	12.1
81.07059	14.9
83.04996	3.1
85.02888	6.3
85.06532	5.9
89.37344	1.4
91.05492	48.5
93.07059	16.9
95.04946	6.0
95.08611	44.6
97.06504	3.1
98.21512	3.1
99.80184	1.7
103.05482	4.2
105.07038	46.3
107.04961	5.5
107.08605	25.3
109.06536	19.6
109.10178	3.6
115.05441	2.7
116.06232	2.6
117.07036	5.9
119.04942	26.8
119.08589	44.8
121.06499	5.5
121.10152	25.9
123.08076	36.0
123.11728	10.2
125.09638	2.3
128.06204	2.2
129.07004	6.3
130.07777	5.7
131.08574	12.8
132.02069	2.5
133.06490	2.3
133.10144	10.7
135.08055	3.5
135.11655	2.9
137.09612	5.3
141.06972	2.2
143.08560	8.8
145.10139	13.1
146.10968	1.8
147.04433	20.3
147.08055	13.9
147.11699	45.6
149.02327	4.8
149.09628	100.0
151.07489	8.2
156.09363	14.5
157.03999	2.0
159.08073	5.3
161.09647	5.0
161.13289	26.5
163.11226	12.2
165.12744	10.3
167.06175	1.6
171.11740	12.2
174.10439	10.5
175.03931	21.0
179.07051	3.6
181.65822	2.1
189.12764	54.4
192.04117	3.4
207.06572	10.5
207.13815	92.3
208.14227	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.8
55.05508	7.9
57.07068	4.6
59.04984	2.3
65.03930	3.6
67.05505	34.2
69.03414	4.2
69.07043	4.0
71.04978	2.0
71.37090	1.6
79.05505	7.0
81.07052	6.7
83.04960	4.2
85.02884	4.1
85.06543	9.2
91.05479	19.9
93.07043	15.9
95.04950	3.9
95.08605	100.0
97.06508	1.1
105.07029	17.6
107.08594	17.8
109.06524	5.8
109.10158	4.5
109.95431	0.9
111.08113	2.3
113.06025	4.8
117.07031	2.3
119.04930	9.8
119.08580	28.4
120.09361	1.3
121.06487	2.9
121.09309	1.5
121.10138	18.3
123.08067	69.7
123.11687	7.8
131.08545	3.9
132.02072	1.2
133.06487	2.1
133.10127	7.5
135.08035	2.9
135.11691	2.5
137.09601	4.7
137.13220	2.1
145.10097	2.7
147.04417	4.7
147.08057	4.6
147.11691	15.4
149.09616	42.5
149.12856	1.0
151.07532	3.5
151.14798	4.1
156.09337	3.5
159.08011	2.3
161.09586	2.0
161.13268	24.7
163.11172	3.0
165.09128	1.8
165.12741	11.7
171.11678	3.5
174.10403	3.4
175.03915	6.2
179.14294	3.8
189.12752	23.1
207.06523	2.6
207.13799	40.6
208.14172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02370	1.1
51.42953	0.5
55.01867	1.4
65.03932	9.5
67.05501	1.5
70.66501	1.9
76.03152	1.4
77.03914	1.8
78.04720	0.6
79.05499	1.8
80.06300	1.2
81.03436	0.6
81.07072	0.9
83.04987	0.6
85.02908	0.7
89.03909	5.3
90.04720	1.5
91.05482	100.0
92.05830	1.3
93.03405	0.7
93.07006	0.9
95.04976	3.0
95.08612	1.9
101.95844	0.5
103.05460	2.2
104.02631	1.0
105.03397	2.1
105.07016	3.0
107.04952	2.4
107.08598	1.9
108.05745	1.5
109.06512	1.3
115.94046	0.7
117.03366	1.2
117.06973	0.7
118.04162	8.1
119.04945	94.2
119.08564	2.9
120.05238	1.4
121.02850	3.6
121.06544	0.7
121.10120	1.5
122.03659	1.2
123.08064	2.6
129.03368	2.3
129.04527	0.9
129.44724	0.6
131.04884	0.6
132.02075	8.6
133.02855	1.3
133.10115	1.1
134.03642	1.2
135.04424	4.9
135.08063	0.7
136.05215	3.3
137.05951	1.2
137.09587	0.8
145.02872	2.7
146.03632	3.4
147.04411	75.9
147.07956	1.2
147.11682	1.3
148.04912	1.2
149.02342	12.8
149.05986	0.6
149.09605	2.1
150.03130	1.7
151.03920	0.8
151.07549	1.4
157.03986	7.2
161.05956	1.0
161.09683	1.0
161.13210	1.7
162.03177	1.5
163.03879	2.4
163.05118	0.6
163.11194	0.7
164.04712	6.3
174.03159	2.9
175.03909	77.4
176.04388	1.1
177.01859	2.7
179.07025	7.5
179.08821	1.4
189.09097	0.7
189.12732	1.6
192.04173	24.1
207.06537	39.4
207.08246	1.4
207.13724	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02372	0.6
53.03947	1.1
55.01875	0.9
55.05514	0.7
63.02376	0.6
64.03156	0.5
65.03939	9.5
66.04728	0.8
67.05511	2.2
69.03426	0.7
70.17229	2.5
71.04990	1.0
71.64142	0.6
75.02354	0.5
76.03149	1.3
77.03933	2.5
78.04710	0.7
79.05489	3.7
80.06297	0.8
81.07067	1.2
86.51318	0.6
89.03905	4.6
90.04692	1.5
91.05480	100.0
92.05795	1.3
93.03405	1.6
93.07040	3.7
95.04961	3.5
95.08631	3.2
98.21772	0.6
103.05466	2.3
104.02614	2.1
105.03372	1.5
105.07021	3.2
106.04193	0.8
107.04977	3.0
107.08632	1.5
108.05746	2.0
109.06540	0.8
117.03329	1.2
118.04172	5.6
119.04942	96.9
119.08582	2.0
120.05280	1.5
121.02880	2.1
121.06502	1.5
121.10150	1.2
122.03677	1.0
123.04430	0.9
123.08075	2.4
127.48514	0.5
129.03383	2.0
129.04456	0.8
129.06902	0.6
131.04935	1.0
132.02066	7.6
133.02872	1.8
133.06505	1.1
133.10139	1.1
134.03647	1.4
135.04382	3.4
136.05190	4.1
137.09613	0.8
145.02867	2.1
146.03625	3.2
147.04407	75.0
147.11688	3.0
148.04863	1.0
149.02342	10.6
149.05995	1.1
149.09599	2.5
150.03105	1.6
151.07538	2.0
157.03975	6.8
161.13252	1.2
162.03113	1.2
163.03920	2.4
164.04680	10.8
171.11636	0.9
174.03142	3.1
175.03905	79.3
176.04359	1.2
177.01865	0.8
179.07027	12.0
189.12759	1.7
192.04172	9.7
207.06528	38.4
207.13831	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	207.0654
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02381	1.3
52.40745	0.5
53.03947	1.1
55.01873	1.3
55.05518	2.2
60.93782	0.5
63.02393	0.6
64.51289	0.5
65.03944	8.5
67.05503	2.9
69.03436	2.3
69.07060	1.5
69.44436	2.9
69.44855	1.9
71.04996	1.1
76.03165	0.8
77.03942	2.2
77.86152	0.6
78.04695	0.8
78.32347	0.6
79.05486	3.3
80.06283	1.7
81.03423	5.9
81.07075	3.5
83.04984	0.9
85.02928	0.9
85.06562	0.8
89.03929	4.6
90.04701	1.3
91.05488	99.3
92.05822	1.1
93.03407	1.4
93.07036	3.5
95.04967	3.5
95.08620	7.6
97.06520	0.7
101.03905	0.8
103.05468	3.8
104.02603	0.8
105.03400	1.6
105.04522	0.6
105.07044	6.7
107.01321	0.6
107.04965	2.8
107.08615	3.3
107.75293	0.5
108.05758	1.7
109.06506	2.7
109.10152	1.3
114.70914	0.5
115.05451	1.0
117.03421	0.9
117.06993	0.7
118.04178	6.8
119.04951	100.0
119.08588	5.1
120.05293	0.9
121.02888	2.8
121.06519	3.7
121.10151	4.3
122.03644	1.2
123.04411	0.8
123.08108	6.4
123.11724	1.3
124.05160	0.7
125.09611	1.1
129.03366	2.6
129.04434	1.3
129.07016	1.2
131.04945	0.7
131.08569	1.6
132.02077	6.6
133.02840	1.6
133.06535	3.3
133.10158	2.4
134.03638	1.0
135.04430	3.9
135.08075	1.1
136.05206	3.8
137.05962	1.2
137.09619	1.8
143.08589	0.7
145.02831	2.3
145.10152	1.1
146.03630	5.3
147.04419	71.6
147.08076	2.0
147.11674	3.3
148.04903	0.8
149.02345	13.1
149.06000	1.6
149.09613	6.6
150.03145	1.3
151.07544	3.9
157.03975	6.2
159.11662	0.8
161.06023	2.8
161.09608	0.8
161.13211	3.0
162.03168	1.6
163.03946	2.8
163.11185	4.3
164.04697	9.6
165.09154	0.7
165.12773	1.6
171.11768	1.5
174.03166	4.6
175.03918	81.1
176.04391	1.4
177.01871	0.8
177.05397	1.2
179.07054	13.0
179.14273	0.8
189.05547	0.6
189.09116	1.1
189.12781	4.2
189.16400	0.7
191.03439	0.9
192.04195	15.1
201.72523	0.6
207.06538	46.8
207.13811	9.9
207.17447	1.0
208.06927	0.9
228.54771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38694	3.1
51.79419	3.5
53.03951	7.3
55.01872	18.7
56.05035	12.1
56.71296	3.0
56.96303	4.7
56.96567	60.8
57.03439	76.2
57.07071	5.6
59.05008	7.7
60.04519	6.8
61.02920	18.2
65.03953	7.7
65.92632	5.1
66.00877	3.3
67.05524	7.0
69.03429	36.5
69.07068	4.9
71.01351	10.5
71.04991	18.2
71.58849	3.4
73.02921	48.5
73.72710	3.0
74.06071	16.4
74.97652	3.4
79.05505	7.0
80.94974	21.7
81.03421	26.7
81.07050	7.8
83.00797	6.1
83.04977	7.7
84.04516	4.0
84.08144	4.1
84.96046	14.3
85.02914	55.1
86.03243	3.6
86.03679	18.3
87.04465	13.2
88.99182	5.6
89.00764	6.2
89.03882	4.8
91.05481	100.0
92.01314	3.9
93.07028	4.2
95.04990	7.5
95.08621	10.5
97.02896	43.7
97.08473	5.8
97.96823	7.2
98.01307	8.0
98.97585	72.3
99.00804	6.3
99.02065	4.3
99.04456	17.1
101.00781	9.4
101.02413	7.4
102.01563	4.5
102.05503	4.0
103.05456	9.9
104.01301	6.3
105.02058	4.0
105.07044	13.0
107.01791	3.8
107.08584	6.9
108.05770	3.8
109.02888	14.9
109.06535	3.8
110.01296	20.4
110.97571	15.6
112.01007	4.9
113.01790	6.5
115.03949	9.8
116.01328	6.0
116.98625	52.2
117.02083	7.0
118.04159	4.8
119.01817	57.0
119.04951	81.5
119.08572	10.2
119.51945	3.9
121.01627	4.2
121.06502	5.8
121.10158	4.9
121.97558	26.7
122.03700	4.2
123.02866	3.6
123.04425	3.8
123.08084	10.1
123.11691	3.8
124.93931	14.6
125.01796	6.1
126.02592	11.5
127.03951	23.1
128.02327	39.1
128.98639	27.5
131.00151	7.0
131.01823	9.7
132.02040	7.4
133.03255	3.0
133.06525	5.8
133.10170	5.1
134.99693	19.5
135.03114	7.1
135.04391	5.7
137.01860	5.1
137.02858	9.3
137.06000	5.2
137.09627	4.8
138.02565	4.8
140.02298	23.4
142.94966	8.9
143.00150	15.7
143.01840	4.3
143.04890	4.6
143.40781	3.6
145.06506	3.7
146.02338	7.0
146.03528	4.4
146.99629	33.3
147.03082	14.2
147.04396	93.5
147.08093	6.1
147.11697	7.3
148.02127	3.9
149.01259	7.3
149.02568	6.9
149.09634	8.0
151.07549	4.4
152.02327	14.6
153.03110	9.8
153.59174	3.4
154.02130	3.4
155.02803	17.2
156.03540	4.6
157.01425	6.9
157.03925	4.0
158.03485	4.2
158.99673	20.2
159.03168	9.0
160.00276	4.5
160.96075	17.5
160.97334	3.3
161.01247	25.8
161.02885	13.3
161.06004	15.0
161.09692	4.3
161.13284	3.5
162.03615	20.1
162.99210	8.8
163.11264	3.7
164.04700	3.3
165.00737	8.5
165.05496	5.5
165.09213	3.5
165.12773	4.2
165.96541	21.2
168.03674	8.0
170.03461	10.1
170.99648	8.1
171.04184	14.8
171.08284	3.4
171.11765	3.8
173.01248	8.4
173.02773	5.6
175.02519	6.5
175.03928	75.1
177.00710	27.6
179.02321	5.6
179.05563	10.3
179.07042	14.2
182.03403	11.6
182.99657	4.3
183.97604	43.1
185.01270	4.9
185.02966	3.8
189.00668	24.0
189.04112	5.6
189.05681	5.0
189.09387	6.4
189.12846	6.5
191.02293	7.1
191.03906	12.7
192.04247	10.7
193.00430	4.0
198.04610	5.6
200.04501	7.1
201.00682	20.5
207.01773	6.0
207.05038	3.1
207.06598	38.7
207.10472	11.7
207.13799	8.7
207.17480	4.9
211.42145	3.9
216.05910	4.4
219.01830	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	205.1588
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03943	0.8
55.01847	0.6
55.05511	4.0
56.96566	11.4
57.03399	0.7
57.07076	3.2
59.30332	0.5
62.88801	0.6
65.03932	1.4
67.05510	5.4
67.87071	0.5
69.03413	1.4
69.07060	4.5
69.31239	2.5
69.31673	3.2
71.04995	27.2
71.06097	0.8
71.08608	0.7
72.08154	0.5
78.95273	0.7
79.05494	4.5
81.07052	14.5
83.04990	0.7
83.08614	2.0
84.04555	0.6
84.95930	0.5
85.02876	0.8
85.06534	0.9
91.05487	10.1
93.06488	0.9
93.07046	16.8
95.04964	5.5
95.08604	21.1
97.02895	1.7
97.06519	1.8
97.10141	0.7
98.21525	1.1
99.08082	3.0
103.05452	0.9
103.11247	0.6
105.07030	37.1
107.04951	1.3
107.08601	15.3
109.02850	1.1
109.06521	3.6
109.10170	3.7
111.08069	2.2
113.08887	1.0
113.09649	13.6
113.10426	0.9
114.09969	0.6
115.05434	2.2
116.06293	0.7
117.07019	5.7
119.08578	15.6
119.97895	1.2
121.02856	2.1
121.06512	5.8
121.09340	0.7
121.10146	11.0
123.08035	0.9
123.11698	1.4
126.08851	0.6
127.03831	0.8
128.40871	0.6
129.07030	1.3
130.07782	1.4
131.04927	0.8
131.08563	14.4
132.64775	0.6
133.10114	2.3
135.04382	0.6
135.08018	1.5
135.11691	4.1
137.09552	1.0
138.18710	0.6
143.08516	1.0
144.09381	0.9
145.06450	2.8
145.10127	30.2
146.05974	0.8
146.10428	1.0
146.96101	0.5
147.08070	1.6
147.11687	34.9
148.11972	0.7
149.02344	13.6
149.05983	1.2
149.09616	3.0
149.13257	1.7
158.96262	0.8
159.08026	1.0
159.11690	8.3
160.11928	0.8
161.05894	0.8
161.09654	1.1
161.13300	5.1
163.02715	0.9
163.11177	2.9
163.14786	4.5
169.12444	1.3
169.62611	0.6
173.06018	1.1
177.05354	0.6
177.09248	0.7
177.12759	3.7
178.12923	1.0
181.03780	0.6
181.97823	1.3
184.09384	1.3
187.11183	2.5
187.14824	39.1
188.15257	0.9
190.09871	1.1
205.05054	1.3
205.08485	3.0
205.12224	9.6
205.14392	3.8
205.15877	100.0
206.16234	2.4
229.16096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.7
55.01866	40.2
55.05499	14.1
56.05032	24.9
56.96563	81.5
57.03436	94.4
57.07076	4.8
58.03761	6.7
58.06586	7.6
59.04988	10.0
60.04517	12.7
60.05624	4.1
61.01157	5.4
61.02923	54.2
65.03931	4.5
65.92619	4.0
67.05513	25.0
69.03127	4.6
69.03426	50.9
69.07054	5.0
69.75861	7.3
69.76263	26.6
70.03763	9.0
70.06588	43.7
70.98109	4.0
71.01354	25.8
71.04988	21.0
72.08143	24.4
73.02502	5.5
73.02912	100.0
74.06076	14.0
74.97594	6.1
75.04469	10.3
76.04018	5.8
77.00789	6.2
79.05489	12.2
80.31802	3.4
81.03416	28.6
81.07063	23.1
81.67556	5.0
82.06601	4.8
83.00803	9.7
83.01318	20.8
83.04976	13.0
84.04491	12.6
84.08147	47.1
84.96037	8.3
85.02901	95.5
85.04852	4.3
86.03621	15.7
86.06058	9.4
86.09689	12.5
87.04469	37.9
89.00751	5.7
89.02423	8.8
91.05473	55.1
92.01287	8.3
93.07030	17.7
95.01312	10.5
95.04976	9.2
95.08590	36.7
96.01524	4.9
97.02330	6.1
97.02890	41.4
98.01279	13.6
98.09688	4.9
98.21478	6.8
98.97574	57.4
99.00792	34.2
99.04440	25.5
100.00996	4.3
100.05238	5.7
100.52762	4.7
101.02383	60.1
102.96971	5.1
103.02370	5.4
103.03899	8.4
103.05437	8.2
104.01269	13.0
105.02054	4.7
105.07025	27.1
107.00198	6.6
107.01814	5.5
107.08573	18.1
108.01506	5.3
109.02865	17.8
109.06506	14.2
110.01271	24.9
110.07159	19.3
110.51421	8.0
110.97552	8.3
111.00779	9.9
111.02043	5.5
112.02834	4.6
113.01756	5.0
113.03542	5.0
115.02420	3.7
115.03936	45.6
116.01289	4.9
116.07111	5.7
116.98617	61.4
117.02039	12.4
118.01038	4.0
119.00221	4.7
119.01828	68.4
119.03462	7.6
119.04932	41.9
119.05727	5.1
119.06088	4.5
119.08598	24.5
120.01975	6.6
121.01617	10.3
121.06528	8.8
121.10121	12.6
122.02319	10.0
123.02073	5.3
123.04467	5.6
123.08082	28.7
123.11694	12.7
123.53011	4.4
124.02824	5.8
124.07635	4.8
125.01797	16.5
125.07993	5.9
125.09663	4.4
126.02576	12.1
127.03968	22.1
127.04705	4.2
128.02319	55.0
128.98592	19.1
129.01846	30.4
129.10214	11.8
131.00159	10.0
131.01814	16.7
131.03395	16.1
131.08551	5.9
132.02045	4.3
132.53482	4.3
133.01627	9.5
133.03442	9.9
133.06490	9.8
133.10123	9.2
134.02275	5.7
134.99643	41.7
135.03082	10.6
137.01884	5.3
137.02827	20.5
137.05972	5.4
137.09584	11.9
138.02554	6.5
139.01665	4.1
139.54312	6.0
140.02319	24.8
140.03206	4.9
140.98549	6.2
143.00191	7.6
143.03384	31.6
145.01657	9.9
146.02322	11.3
146.03516	5.5
146.99646	40.2
147.02957	33.1
147.04321	32.5
147.08110	6.8
147.11674	22.5
149.01212	9.0
149.02809	17.6
149.09634	27.8
151.07500	13.5
152.02298	6.2
153.00687	4.8
153.03026	10.4
155.02890	19.6
156.09381	6.9
157.01341	25.7
158.03479	5.5
158.99632	15.0
159.03185	8.8
160.07692	4.7
160.96092	4.8
161.01216	19.5
161.02843	24.3
161.04514	12.6
161.05939	13.5
161.09660	7.8
161.13197	11.0
162.01875	4.3
162.03606	8.5
162.99161	4.8
163.02702	8.3
163.11218	5.2
164.04582	5.6
165.00668	23.7
165.09058	8.0
165.12723	8.0
170.03375	9.7
170.99594	9.5
173.01224	6.6
173.02867	4.7
174.03142	9.3
175.02538	10.7
175.03922	29.7
176.04590	5.2
177.00679	29.8
177.04243	16.5
179.02312	5.9
179.05623	5.1
179.06993	8.7
182.03302	9.2
185.03011	7.8
186.03085	7.7
187.02708	9.3
189.00705	23.7
189.03912	7.8
189.09480	5.8
189.12744	19.9
191.02271	5.8
191.03880	9.9
192.04178	14.2
193.00098	5.6
201.00673	18.5
203.02277	5.0
203.04041	6.7
205.03770	7.9
207.01634	10.9
207.04724	5.4
207.06491	14.5
207.08145	6.9
207.10149	6.7
207.13658	26.9
207.17393	7.9
219.01753	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02342	1.4
53.03928	4.3
55.01870	2.0
55.05496	3.8
56.96552	1.9
57.03401	1.3
60.34622	1.0
60.45752	1.4
65.44365	1.1
67.05491	2.7
69.03426	19.8
69.07083	1.8
70.91821	2.9
71.05000	1.7
79.05470	3.4
81.03414	3.0
81.07037	4.0
83.04995	6.4
85.02903	2.1
91.05482	21.6
93.07037	39.0
95.04977	9.4
95.08598	2.1
97.06470	1.2
103.05463	2.2
105.07034	11.0
107.08591	8.2
109.06538	2.4
115.05470	1.9
116.06233	1.6
117.07005	6.2
119.08597	9.6
121.06500	100.0
121.10136	4.7
123.08075	2.2
129.06985	3.5
130.07765	1.7
131.08556	6.7
133.10199	2.4
135.08054	10.8
135.11685	4.6
137.05963	1.3
141.14612	1.5
143.08528	2.4
144.09323	4.4
145.06442	3.3
145.10147	12.3
147.08064	4.1
149.02354	6.6
149.05968	12.5
149.09624	1.6
151.07625	2.2
151.90753	1.2
154.05077	1.3
159.08017	2.2
159.11693	19.9
161.09590	3.4
162.10396	2.2
163.07533	2.0
163.11136	10.1
172.08829	3.8
175.11128	2.3
177.12767	13.3
187.11206	7.9
205.05020	2.0
205.12242	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69357	0.4
54.02000	0.4
70.05366	0.4
70.76682	1.2
74.02434	1.5
81.31322	0.4
84.33768	0.4
91.05481	1.9
103.05466	0.7
115.05476	2.6
117.05766	1.7
117.07014	2.9
118.06541	44.1
119.06863	0.6
130.06541	3.3
132.08080	10.8
142.06517	4.5
143.07297	5.4
144.04486	0.7
144.08086	21.5
145.06464	0.7
146.06009	100.0
147.06329	1.1
149.02382	1.1
159.09181	9.4
160.07584	2.0
163.05835	0.5
170.06004	8.5
188.07063	65.6
189.07385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
52.91006	0.4
62.17374	0.4
70.76900	1.1
71.52860	0.5
74.02434	1.7
91.05482	1.3
98.35005	0.4
105.07068	0.5
115.05463	3.3
117.05748	1.3
117.07011	2.7
118.06544	50.6
119.06891	0.9
130.06538	4.5
132.08093	11.4
141.56584	0.5
142.06531	5.0
143.07306	7.1
144.04413	1.1
144.08084	23.8
144.09232	1.1
145.08327	0.6
146.06010	100.0
147.06329	1.6
159.09175	8.9
160.07571	1.6
170.05995	10.0
188.07068	71.7
189.07364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02374	0.4
53.03946	3.1
54.69065	0.2
55.01859	0.9
55.05515	0.9
56.96560	1.0
57.03445	0.3
57.07072	0.7
59.05005	0.4
60.04519	0.3
65.03944	0.5
67.05505	1.0
69.03430	1.6
69.07062	0.7
69.60751	0.5
69.61156	1.9
71.04995	0.3
72.08153	0.3
77.03909	0.5
78.04677	0.4
79.05486	1.2
81.03406	0.9
81.07045	0.9
83.04965	1.1
85.02911	0.8
85.06556	0.4
91.04893	0.6
91.05477	19.6
93.07039	62.4
94.07368	0.5
94.50271	0.2
95.04964	8.8
95.08548	0.5
97.02889	1.0
98.97587	0.4
103.05463	3.5
105.04501	1.3
105.07036	2.7
107.04955	1.2
107.08597	2.3
109.02884	0.3
109.06512	0.9
111.04442	0.4
112.61110	0.3
115.05457	1.9
116.06229	0.4
116.98605	0.3
117.07008	3.8
118.06516	1.0
119.07333	0.6
119.08575	2.5
120.08109	0.2
121.06498	100.0
121.10147	1.0
122.06836	0.6
123.04479	0.3
124.63731	0.3
127.05546	0.3
127.07552	0.5
128.06248	0.6
129.06998	1.1
130.07808	0.5
131.04935	0.4
131.08572	1.5
132.08115	0.4
133.06461	0.4
133.10124	0.7
134.09637	1.6
135.04420	0.3
135.08058	1.7
135.11684	1.1
139.07455	0.3
141.06990	0.3
142.07678	0.3
143.08499	0.5
144.08221	0.3
144.09303	1.5
145.06494	3.1
145.10109	2.5
146.05971	0.8
146.07123	0.3
147.04327	0.4
147.05478	0.3
147.08051	1.0
148.08679	0.3
149.02325	3.4
149.05962	0.8
149.09631	0.4
149.13229	0.5
154.07816	0.3
155.05969	0.4
159.04401	0.3
159.08041	1.1
159.11688	5.8
161.06000	0.3
161.09601	0.9
162.10420	0.4
163.03908	0.7
163.07524	0.5
163.11197	1.7
172.08794	0.8
173.05992	1.0
175.07571	0.6
175.11078	0.4
177.05481	0.5
177.09108	0.5
177.12785	2.2
184.03825	0.3
187.07520	0.5
187.11148	2.0
188.07076	1.0
190.09967	0.5
205.04912	0.5
205.06758	0.5
205.08582	1.6
205.12230	16.1
206.08264	0.2
206.11749	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	205.0821
Annotation	Glu-Gly
Peak:m/z	Relative Intensity
53.03958	0.6
55.01877	0.9
55.05516	2.5
56.05037	100.0
56.96569	3.0
57.03440	2.9
57.05385	0.5
57.07077	1.8
58.06608	1.8
60.04527	5.0
61.02934	2.8
65.03938	1.2
67.05493	0.5
68.05030	2.2
69.03434	3.6
69.34144	0.4
70.06592	3.6
70.78340	1.5
71.05006	0.8
71.06116	0.6
71.06936	0.5
72.04515	3.7
72.08162	5.1
73.02921	2.1
74.02445	14.3
74.06084	63.1
75.32887	0.4
78.95266	0.9
80.05015	0.8
81.03417	2.0
81.07069	0.5
82.06585	16.3
84.04507	8.7
84.08141	13.0
84.08623	0.7
85.02916	7.3
85.04863	0.5
86.03242	1.7
86.03694	0.7
86.06049	0.8
88.04003	1.3
88.07642	0.8
89.04784	1.6
90.05538	0.8
91.05487	1.1
93.07049	1.5
95.04971	0.8
96.04489	1.6
96.08129	2.9
97.02901	3.2
97.04847	1.7
98.03236	1.1
98.97587	0.9
99.04469	0.9
99.09238	1.4
100.03980	1.5
100.05247	0.5
100.07609	3.0
100.66855	0.4
102.05544	26.9
103.03921	0.7
103.05473	0.6
104.03484	1.3
105.07027	0.8
107.08616	0.8
109.02875	1.1
111.02899	0.8
111.06394	0.7
113.02357	1.1
113.07116	0.9
114.05538	3.3
115.05870	2.1
116.07092	1.2
116.98619	0.7
117.07043	0.7
118.05059	0.8
118.08674	0.9
119.01909	1.7
119.08569	0.6
119.97903	1.3
120.06580	10.1
121.01659	0.7
121.02872	1.3
121.06522	1.9
121.10146	0.7
122.94260	0.8
123.09188	1.5
124.07581	4.9
126.05524	1.1
127.04096	1.1
127.05883	1.6
128.02315	0.7
128.06229	0.7
128.07095	7.4
131.01877	1.2
131.08612	0.6
133.03513	0.7
134.99664	1.0
135.03096	0.7
135.11670	0.8
137.02927	1.0
139.05815	0.6
140.77890	0.4
141.07404	1.0
141.10226	8.6
142.04968	0.9
142.08636	5.3
144.06563	4.3
145.09773	0.6
145.35782	0.5
146.04433	0.7
146.08136	1.2
146.99599	0.7
149.02328	9.7
149.13280	0.6
150.01799	0.7
157.01662	0.4
158.96272	0.7
159.07526	2.4
159.11444	1.8
160.09732	2.1
161.02908	0.7
163.07603	0.7
163.11180	0.9
163.96832	0.9
169.06897	0.9
170.04491	1.6
170.08131	5.5
173.02959	0.6
177.12779	1.2
181.97916	2.1
185.02922	0.7
187.10786	5.1
188.05516	3.9
188.09186	1.6
201.00693	0.7
205.05026	1.3
205.08188	7.1
205.12027	3.7
205.15842	0.9
205.19316	0.5
206.10225	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1438
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
52.15922	0.4
55.05514	2.6
55.78292	0.5
56.03356	0.4
56.05038	5.3
56.29931	0.5
60.04523	0.5
67.05501	6.1
68.05029	17.5
69.07073	1.4
70.06590	15.1
70.25191	1.0
70.25576	1.6
74.02442	1.7
79.05497	3.2
81.07047	1.6
82.06583	3.6
83.08650	1.0
84.44681	0.5
88.03973	0.9
91.05489	0.9
93.07046	6.6
95.04985	0.7
95.08606	23.8
96.08148	2.9
97.02931	0.5
98.97587	1.5
109.10113	0.8
110.09659	2.1
113.09649	0.8
114.05529	28.5
116.98642	0.7
121.10161	2.6
125.73592	0.5
128.15321	0.6
136.11215	0.7
138.12779	100.0
139.11147	0.6
139.13120	0.6
141.97919	0.5
156.13841	13.4
174.41995	0.5
177.00751	0.7
184.13326	34.4
185.13666	0.6
202.14381	28.5
202.18095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
53.03934	2.4
55.01863	4.9
55.05490	2.7
56.04783	2.0
56.05033	20.1
56.96571	9.0
57.03439	13.5
58.03769	1.2
58.06599	2.5
59.04980	2.3
60.04530	23.5
60.08161	9.9
61.02931	12.2
67.05486	1.6
68.05036	21.2
69.03431	11.1
69.07082	1.5
70.06593	18.3
71.04977	4.2
71.58391	2.2
72.04533	5.7
72.08148	3.6
73.02921	9.5
74.02427	3.9
74.06089	10.0
76.56836	1.2
79.05479	2.5
80.05015	8.0
81.03398	5.2
81.07052	2.2
82.06563	4.2
83.04977	2.4
84.04508	32.2
84.08140	10.7
85.02908	100.0
86.06055	4.2
87.00826	1.3
87.04443	1.7
87.30999	1.0
88.03980	2.0
91.05463	1.6
94.06577	5.8
96.04489	33.1
97.02290	2.4
97.02892	34.5
98.06065	7.5
98.97567	3.1
99.04445	3.2
100.02623	1.2
100.03949	3.2
100.07596	1.3
101.02402	1.2
102.05550	5.9
103.03951	6.4
105.01986	1.1
105.07025	1.5
108.04469	1.5
109.02854	2.9
109.06517	1.2
110.06062	10.4
112.07636	5.3
113.02406	1.8
114.05531	45.6
114.09151	1.4
115.03929	1.2
116.07071	1.9
116.98592	4.2
118.01023	1.5
119.01907	6.6
120.03494	1.1
120.06559	1.7
121.01624	1.2
122.06030	12.9
124.03929	1.3
125.02702	1.4
126.05518	30.5
127.03915	6.2
127.05944	1.3
127.07533	2.4
128.02293	2.3
128.07103	1.7
129.10260	2.0
130.05031	1.3
130.08670	1.7
131.01866	3.7
132.03441	1.1
133.01593	1.4
134.99655	2.4
135.02985	1.7
138.03459	2.5
138.05510	13.5
140.07060	19.6
140.10681	3.1
141.05466	2.0
141.10223	5.5
142.08632	3.9
143.01898	2.3
144.06549	7.8
144.10211	2.3
145.03473	1.3
145.04936	7.5
146.99626	3.6
149.02350	3.2
150.01761	2.2
156.06525	4.4
157.03532	1.4
158.08133	25.1
158.11737	6.8
158.12881	1.8
161.02959	3.6
163.02919	1.2
168.03708	1.2
168.06566	11.3
168.10239	2.8
173.02937	6.6
186.07593	13.2
186.11252	3.4
187.10724	1.5
189.11421	2.3
203.03979	1.9
204.06999	1.9
204.08662	50.4
204.12306	27.6
204.13869	6.5
221.04976	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01857	1.2
55.05518	7.7
56.04785	1.3
56.05036	16.9
56.96562	2.0
57.12930	0.9
57.98793	0.9
58.99586	30.4
68.05019	1.8
69.07071	1.1
70.06573	1.3
71.37691	0.8
71.60731	1.3
73.02905	1.8
74.00666	1.2
76.02228	7.7
78.89609	0.8
79.05489	34.8
81.07056	21.3
82.06586	7.3
85.01128	100.0
86.00648	16.0
86.99055	20.0
87.02692	1.1
87.04457	0.9
88.02207	3.9
88.03978	2.6
91.05499	1.2
93.07038	0.9
94.06551	2.1
95.04971	2.5
95.08615	1.0
96.08130	1.6
97.01132	1.3
97.02885	1.0
97.08919	8.3
98.06041	0.8
98.09689	32.8
100.02208	0.9
105.00098	7.6
105.07011	0.9
108.08138	0.7
113.04230	43.7
114.04565	1.0
117.07014	1.9
120.01176	3.2
122.09672	2.4
127.52070	1.1
128.02277	0.9
128.06345	0.9
129.07083	0.9
131.01595	0.9
132.01149	12.7
139.05803	1.4
141.15680	0.9
142.06580	1.0
143.07310	1.1
144.04306	0.8
145.06462	1.2
145.10027	0.8
156.08429	7.0
159.04858	1.1
160.07562	11.7
161.05995	2.6
161.08174	1.4
185.06297	5.7
202.08939	14.2
202.10751	1.4
202.16554	0.8
203.07016	4.3
209.24646	0.9
211.56430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37266	2.6
56.05041	12.7
56.96572	24.3
57.03441	2.8
60.04510	4.0
70.38568	2.5
71.35776	5.9
83.06114	6.5
84.04502	5.8
84.08147	9.9
93.76657	2.6
96.04519	2.2
97.02906	3.8
97.07634	3.1
97.99163	2.7
98.97600	6.9
100.02497	21.9
101.00908	9.4
107.09897	2.6
108.06834	3.0
109.07684	3.1
116.00230	8.3
116.98652	5.6
118.03541	33.5
119.01923	100.0
119.02884	4.6
120.01995	17.7
120.03284	4.6
120.05553	3.6
121.01707	9.4
121.06308	3.1
127.08778	2.4
132.03262	3.3
134.01283	17.0
134.04788	3.3
134.99640	20.8
135.00621	3.1
136.02773	5.1
136.04536	16.9
136.99269	4.2
137.02988	77.8
137.04010	4.4
138.03079	12.8
138.04305	8.0
139.02649	5.6
142.03519	35.2
143.03647	3.9
144.05090	3.5
152.02318	4.3
152.05902	3.9
153.00725	5.6
158.06721	3.6
160.02696	7.1
160.04549	48.8
160.05788	4.0
161.02943	11.1
161.04190	19.2
161.08231	4.8
162.04356	4.2
162.97755	2.8
174.98605	3.0
176.05956	4.0
178.00145	12.3
178.03859	13.5
178.05624	21.5
179.04008	28.4
179.05338	15.6
179.98114	3.2
197.99126	16.7
202.05501	3.7
202.10851	8.3
212.64529	2.6
220.02155	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	200.1282
Annotation	Ecgonine methyl ester
Peak:m/z	Relative Intensity
53.03956	0.6
55.01875	1.0
55.05516	1.5
56.05036	1.1
56.20798	0.5
56.96567	3.8
57.03434	0.6
57.07076	1.3
58.70784	0.6
59.04986	1.4
59.06121	0.8
59.56962	0.5
60.04534	0.7
61.25842	0.5
67.05504	30.6
68.05030	4.1
68.05833	0.6
69.03442	0.8
69.07067	2.4
70.06586	2.4
71.04992	6.7
71.05664	1.3
72.08147	0.6
73.02912	0.7
74.02441	100.0
76.82375	0.6
79.05498	2.4
80.05014	10.9
81.07040	3.0
82.06574	1.6
83.08619	1.1
84.04500	0.7
84.08141	2.8
85.02911	0.6
88.07631	1.0
91.05495	0.9
93.05739	0.9
93.07036	1.0
94.06598	1.0
95.04931	0.6
95.08608	1.3
96.04504	1.3
96.08138	5.2
97.06531	1.6
98.06053	0.7
98.97581	4.4
104.07085	0.8
107.08557	0.6
109.10155	21.5
110.06055	1.6
111.08074	1.3
114.05528	2.5
116.98615	5.6
118.05037	0.9
119.08573	1.0
125.07127	0.6
126.05514	7.3
126.09145	2.2
126.12797	1.2
126.76910	0.5
128.00778	1.8
129.09146	1.0
134.99672	7.5
136.07614	0.7
136.11221	15.1
138.05464	1.3
140.07072	1.4
140.08170	0.6
140.10690	0.8
142.08641	4.3
142.12239	0.6
153.00693	2.6
154.08624	3.3
154.12267	15.6
156.06541	1.0
158.87488	0.6
164.10757	0.8
164.45981	0.6
165.09171	0.5
176.02208	0.7
182.08134	0.8
182.11765	10.6
192.24562	0.6
200.07516	0.7
200.09109	1.5
200.12807	23.8
200.14149	0.9
200.19182	2.6
201.07080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0917
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
50.41898	0.7
53.03944	0.9
55.01861	1.2
55.05497	1.0
55.81932	0.8
56.96568	4.1
60.04527	0.8
65.03934	1.1
67.05500	7.7
68.05017	2.2
69.03417	6.3
69.07060	7.9
70.06580	1.5
71.04942	0.8
71.58849	1.1
72.04525	1.0
73.02909	1.0
74.02439	15.3
76.08219	0.7
79.05492	3.3
79.24081	0.8
80.05013	4.2
81.03413	0.9
81.07047	4.4
82.06575	3.7
83.04961	1.4
83.06074	0.9
84.04490	1.4
84.08134	4.6
85.02900	2.1
86.06071	1.7
86.09702	3.2
87.04467	0.9
91.05466	7.9
93.05788	3.4
93.07040	7.0
94.02985	0.8
94.06567	24.5
95.04948	5.0
95.06046	0.8
96.04475	1.8
96.08112	3.5
97.02895	1.1
97.06544	3.8
98.06052	3.7
98.97577	6.8
108.04476	1.8
108.08112	26.5
108.08846	1.4
109.06531	4.2
109.10144	2.8
110.06039	16.4
110.09670	1.4
111.04468	1.8
111.08065	2.2
112.03970	4.5
112.04646	1.1
112.07596	4.9
116.98609	9.7
117.05759	1.7
118.06526	2.7
118.96702	0.9
119.04926	1.4
120.08089	2.6
121.06493	2.4
122.06021	71.6
123.04414	2.2
123.06805	1.6
124.07580	4.5
125.06991	0.7
126.05474	1.6
126.09139	3.3
128.07028	1.8
134.06001	1.7
134.99646	10.7
136.07570	71.2
137.05984	2.7
137.08058	0.8
138.09151	4.3
139.07509	5.2
140.07056	100.0
141.04958	0.8
141.10258	1.1
142.08600	1.1
146.99673	0.9
147.04359	0.7
153.00711	2.6
154.05003	1.7
154.08620	61.8
155.06981	1.2
155.08989	0.7
155.11803	1.6
155.61908	0.8
161.01180	1.0
164.07068	13.8
165.05466	2.7
176.98633	0.8
177.00562	1.1
182.08121	62.0
182.11664	2.8
183.08511	0.8
197.55405	1.0
200.09172	70.1
200.12846	3.2
200.20024	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10479	1.0
56.05034	1.9
56.96567	18.0
70.71328	1.8
70.71724	2.4
71.95264	2.9
92.65408	1.0
96.15121	1.1
98.21507	1.1
98.97585	85.1
99.97945	0.9
116.98620	100.0
117.98989	1.1
119.01939	2.0
134.99658	75.3
137.02953	1.2
140.00192	2.2
153.00710	17.5
158.01253	3.4
158.03040	1.0
170.75864	1.0
176.02344	2.6
176.04016	1.3
177.00786	5.6
192.98424	1.1
195.01781	2.6
199.18781	0.9
203.97043	2.8
204.68912	1.1
208.27658	1.0
212.92279	2.5
212.97520	2.0
219.01834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1328
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
50.73701	1.1
53.03938	2.4
55.05509	23.6
56.05836	1.5
56.96550	3.9
57.03437	2.3
57.07074	11.3
57.93560	3.0
58.07409	1.4
58.96765	1.4
63.42484	1.1
66.97036	1.1
67.05499	5.5
68.35699	1.0
69.03420	1.6
69.07077	5.5
70.07405	2.4
70.74006	3.1
71.04993	2.3
71.08605	1.1
72.04488	2.9
74.09718	14.5
75.94619	1.6
77.34825	1.3
79.05486	4.8
81.07056	7.5
83.04976	8.4
83.08627	5.6
84.08949	2.9
85.06551	5.0
86.06078	1.4
91.05492	3.2
93.07040	10.4
95.04958	3.4
95.08594	11.2
97.06516	7.2
98.97578	6.9
100.07597	4.2
105.07013	4.0
107.08595	17.5
109.06512	5.2
109.10183	4.6
111.04441	100.0
111.08094	2.9
112.99295	1.2
113.05996	2.5
115.05456	1.4
116.97234	17.6
116.98598	11.5
117.06969	1.7
119.08601	2.2
121.06516	2.0
121.10117	1.9
125.06001	25.9
127.07565	3.7
128.06216	1.6
129.07014	1.7
130.07773	1.2
131.99547	3.5
134.99644	12.1
135.08052	14.3
135.11687	17.7
137.13232	1.5
139.07512	2.8
142.07765	2.7
143.08562	6.4
145.10121	14.5
152.96912	3.3
153.00717	3.9
153.12735	5.4
156.09317	1.5
157.10147	5.6
158.01236	1.9
163.11197	16.6
164.79228	1.4
169.10274	1.7
170.97980	2.1
171.11713	3.6
175.98518	12.0
176.02344	3.7
181.12250	24.2
184.12502	1.7
199.03961	1.6
199.05998	1.3
199.07605	2.0
199.11241	2.9
199.13239	1.7
199.14934	9.3
199.18886	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	197.1172
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.09147	0.7
53.03936	2.2
55.01871	1.2
55.05508	5.5
56.96548	1.8
57.03419	0.9
57.07053	3.7
59.04986	2.7
65.03940	2.0
65.89637	0.7
67.05220	0.9
67.05505	8.9
69.03422	3.1
69.07072	4.5
70.95869	5.0
71.04987	2.0
71.08627	1.4
71.61179	1.0
72.93768	2.2
73.02905	1.9
79.05490	8.3
79.38928	0.8
80.16183	0.8
81.07055	14.3
83.04987	1.7
83.08615	2.3
85.02897	1.1
85.05193	0.9
85.06528	3.3
88.96876	1.0
90.94798	1.5
91.05472	21.7
93.07040	26.6
95.04977	8.9
95.08605	11.4
96.00014	0.9
96.05598	0.9
97.06524	1.8
99.04437	1.3
103.05435	1.1
105.03365	1.6
105.07027	33.6
107.04960	1.0
107.08592	74.1
108.08945	1.1
109.06516	8.0
109.10159	11.6
111.04426	1.6
111.08071	1.5
111.98485	4.8
113.06006	1.6
113.08240	5.5
115.05442	1.2
117.07037	0.7
119.04934	2.7
119.06053	0.7
119.08567	9.6
120.09375	0.9
121.06518	7.2
121.10145	3.2
122.16283	0.8
123.04421	4.4
123.08081	2.1
123.11696	6.8
123.65354	0.7
125.05962	2.7
129.99475	2.6
131.08580	4.1
132.95816	5.1
133.10126	74.4
135.08057	1.9
135.11685	52.1
137.05992	7.9
137.08171	2.0
137.09589	6.0
138.06743	1.5
141.05469	1.1
141.06935	1.9
143.08531	1.8
146.07257	1.3
149.09598	1.5
150.96878	18.1
151.03899	7.2
151.07489	2.1
151.11179	6.4
154.06303	1.4
155.09372	2.0
155.97382	4.3
160.65271	0.9
161.09615	31.1
165.05449	2.2
167.10643	2.4
168.97823	1.2
169.06572	0.8
169.08667	1.6
169.10150	2.4
173.98489	8.7
179.10666	100.0
179.17961	0.9
180.11041	0.9
182.05702	1.3
188.14677	0.9
197.00061	1.1
197.05983	1.4
197.08031	3.4
197.11726	66.7
197.13150	2.5
197.18950	0.9
198.12105	1.2
198.18492	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	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.53014	0.7
55.01865	2.2
55.05492	3.7
59.04990	0.9
61.02918	2.2
65.03930	1.3
65.59423	0.8
67.05505	4.4
69.03434	1.4
69.07058	1.3
69.37625	8.2
69.46667	0.8
70.95847	1.7
71.04980	1.5
72.93777	1.6
73.02887	1.6
79.05487	7.8
81.03467	1.0
81.07052	11.2
88.96893	1.1
91.05487	15.9
91.72793	0.7
93.06493	1.2
93.07050	18.4
95.04981	3.9
95.08627	5.7
97.06516	2.8
98.97626	1.0
99.04456	1.4
105.07037	31.0
107.08598	100.0
108.09016	0.9
109.02861	0.9
109.06531	6.7
109.10188	5.5
109.10819	0.7
111.04449	1.0
111.98448	2.1
113.08284	1.9
116.98604	0.9
119.04908	1.9
119.08581	15.7
121.06496	2.5
121.10143	15.6
123.08064	2.3
123.11683	3.7
125.05987	7.5
125.09586	1.0
127.03892	3.2
128.06177	1.4
129.99512	1.6
131.08557	3.7
132.95836	4.0
133.02869	1.5
133.06433	1.0
133.10136	55.8
135.11674	2.7
137.05984	16.7
137.09589	3.6
138.06700	2.4
139.07518	3.0
143.08524	3.6
146.07274	1.2
149.09631	11.3
150.96866	6.0
151.03955	4.0
151.07552	1.8
151.11194	19.5
154.06203	1.3
155.09323	1.5
155.97420	2.5
161.09622	18.3
165.05412	0.9
167.10687	27.3
168.97975	1.1
173.98552	5.3
179.10670	41.4
197.11700	49.6
198.18510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03963	0.5
55.01865	1.3
55.05509	2.1
56.96550	0.7
57.03439	0.7
57.07069	0.7
59.05013	0.7
59.36619	0.4
61.02927	2.1
67.05508	3.4
69.03423	1.9
69.07079	1.3
69.68493	1.5
69.68923	1.8
69.78944	0.5
70.95850	1.4
71.04993	1.8
72.08150	0.5
72.93776	1.0
73.02912	2.1
76.36704	0.5
77.03951	0.5
79.05489	8.6
80.29130	0.5
81.07057	8.5
83.04993	1.2
87.04463	0.7
91.05482	15.9
93.07046	18.3
95.04966	3.1
95.08610	5.6
97.06541	1.9
98.20822	0.6
99.04486	0.5
105.07032	30.2
107.08598	100.0
108.08930	0.5
109.06512	4.0
109.10163	6.8
111.98483	1.1
113.06020	0.7
113.08271	2.2
115.05431	0.5
117.07010	1.2
118.07813	0.9
119.04948	1.2
119.06120	0.8
119.08591	14.1
121.06547	2.2
121.10143	15.1
123.04403	1.0
123.08064	1.8
123.11713	4.0
125.06010	1.9
125.09674	0.7
128.06221	0.8
129.99530	1.0
131.08565	3.6
132.05733	0.5
132.95807	1.3
133.06520	1.2
133.10135	61.9
134.10487	0.5
135.08078	0.8
135.11720	2.8
137.05974	3.9
137.08177	0.9
137.09599	4.0
138.06726	0.8
139.07520	4.2
143.08585	3.2
146.07286	1.3
149.09630	10.5
150.96918	4.9
151.03922	4.7
151.07585	2.8
151.11189	18.9
155.09271	1.6
155.97429	1.2
161.09631	17.2
165.05495	0.5
167.10686	26.3
169.08656	1.3
169.10153	0.5
173.98512	3.2
179.07245	1.2
179.09377	1.5
179.10678	42.8
191.57822	0.5
197.04401	0.8
197.11743	50.0
198.18520	0.6
206.09721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
51.14156	0.7
53.03924	2.2
54.15237	0.7
55.01862	2.5
55.05517	5.6
55.09682	0.7
56.05027	0.9
56.96552	3.0
57.03407	1.5
57.07050	2.6
59.04979	2.9
59.06112	1.1
65.03923	1.7
67.05505	8.5
68.99777	2.2
69.03400	2.9
69.07067	5.5
70.95861	7.6
71.04987	1.3
71.60398	1.5
72.93775	3.7
73.02924	4.4
77.03915	0.8
79.05495	9.7
81.03401	1.1
81.07056	9.8
83.04939	2.3
84.04525	0.9
84.84018	0.7
85.06536	1.6
85.19234	0.7
88.96864	1.7
90.94831	1.3
91.05479	24.9
93.06485	1.2
93.07045	23.1
95.04961	13.4
95.06057	1.3
95.08598	5.2
97.02882	0.9
97.06514	2.3
98.97556	1.2
99.04436	0.9
105.03410	3.5
105.07032	34.6
107.04926	1.6
107.08593	66.0
108.02077	1.1
108.08930	0.8
109.06516	11.0
109.10161	6.5
111.04428	2.0
111.08070	1.3
111.98471	5.7
113.05978	1.1
113.08257	4.3
113.96389	0.9
115.05447	1.1
116.98646	0.9
117.06983	1.8
119.04960	3.8
119.05952	0.8
119.08570	8.3
121.02840	0.7
121.06496	6.8
121.10176	1.8
123.04448	5.4
123.08058	2.1
123.11684	3.4
125.05996	6.5
127.03902	0.8
128.06206	0.8
129.99512	6.0
131.08560	2.5
132.95837	7.3
133.06499	1.3
133.10130	71.8
134.99654	0.9
135.07985	2.3
135.11687	55.3
137.05992	9.3
137.08182	1.8
137.09608	6.3
138.06714	2.7
140.04694	2.7
141.05443	3.0
141.07013	0.9
143.08566	1.6
146.07240	1.6
147.04413	6.9
149.05956	0.9
150.96887	25.2
151.03905	26.9
151.04997	1.7
151.07552	2.5
151.11176	7.8
153.09113	1.8
154.06271	1.8
155.06963	2.0
155.09244	2.5
155.97432	5.6
161.09622	34.3
165.05396	1.1
167.06979	1.2
168.97954	1.6
169.08624	1.8
173.98500	17.2
179.07257	5.5
179.10669	100.0
180.11015	1.6
190.98543	1.0
197.04361	1.6
197.06073	1.4
197.08073	4.0
197.11728	64.1
197.17117	1.5
198.18475	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	197.1174
Annotation	(+)-Isololiolide
Peak:m/z	Relative Intensity
53.03942	1.4
55.01868	6.5
55.05510	14.6
56.96557	1.8
57.03424	1.1
57.07072	0.8
57.26835	0.5
59.04986	0.5
61.02938	0.5
62.95544	0.6
65.03922	1.0
67.05502	4.8
68.99788	0.8
69.03433	3.6
69.07055	1.5
69.34042	2.4
69.34467	2.3
70.95864	4.5
71.04984	1.2
72.93798	3.1
73.02914	1.5
77.67813	0.5
79.05496	4.9
81.03395	0.7
81.07056	22.6
83.04980	1.4
83.08608	0.7
84.08115	0.5
85.06532	0.7
88.96897	1.5
90.94814	1.1
91.05483	6.6
93.07052	7.1
95.04964	3.4
95.06086	0.8
95.08621	3.6
97.06538	5.9
99.04458	9.7
103.05436	0.6
105.03394	2.1
105.07037	10.2
107.04970	1.1
107.08595	23.1
109.02881	0.9
109.06516	12.5
109.10151	7.5
111.04456	3.3
111.08078	1.0
111.98457	3.4
113.08241	3.3
116.98669	0.6
117.07043	1.2
119.04970	1.1
119.08589	3.8
121.06508	3.6
122.08403	1.2
123.04414	1.4
123.08076	2.2
123.11717	1.4
125.05993	71.7
126.06413	0.7
127.03922	24.5
128.06236	1.5
129.99521	4.1
131.08574	1.2
132.95850	5.3
133.02789	0.6
133.06537	0.8
133.10132	19.2
133.11104	1.1
135.08043	0.9
135.09082	0.5
135.11682	5.3
137.05978	100.0
137.09602	13.2
138.06776	2.6
141.05466	1.2
141.06976	0.6
143.08568	4.9
145.04970	2.2
146.07263	1.1
147.04388	0.6
150.96890	16.7
150.98105	0.8
151.03918	10.0
151.05042	0.6
151.07518	1.2
151.11189	4.2
154.06239	1.4
155.09293	1.4
155.97409	4.2
161.09615	15.7
165.05472	1.1
167.10756	0.5
168.97971	1.2
169.08589	1.8
169.09930	0.5
173.98503	9.6
175.54831	0.5
179.03513	0.6
179.07066	2.0
179.09239	0.9
179.10606	18.6
179.14211	0.9
180.06624	0.7
182.05698	0.5
187.45670	0.5
197.00017	0.7
197.04414	0.7
197.05969	1.4
197.08034	0.9
197.11745	17.6
197.13445	1.2
198.18509	2.6
206.43910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
51.02373	0.3
52.16057	0.2
53.03938	0.5
55.01872	2.7
55.05505	1.0
56.05024	0.4
56.96566	1.9
57.03432	0.7
57.07072	0.6
60.04523	0.3
61.70176	0.2
65.03943	1.8
65.04225	0.3
67.05508	2.9
68.05021	0.3
69.03451	0.6
69.04557	0.3
69.07059	0.7
69.10538	0.3
70.95866	2.3
71.01348	0.4
71.04987	0.6
71.06123	0.3
71.60010	0.3
72.08138	0.3
72.93791	1.4
73.02917	20.1
76.94466	0.2
79.05485	1.2
81.03414	0.4
81.07054	1.7
83.04966	0.7
83.06077	0.4
84.04527	0.3
85.02909	1.0
85.06503	0.4
87.04458	0.3
88.96908	0.7
89.03906	0.8
89.47035	0.2
90.94823	0.4
91.03956	0.6
91.05484	4.0
91.06030	0.4
93.03400	0.6
93.07035	1.4
95.01289	0.3
95.04966	2.4
95.08593	1.4
96.05611	0.8
97.02892	0.5
97.06517	0.4
98.97573	0.6
99.04453	0.8
105.03419	0.3
105.07031	1.6
107.04959	0.5
107.08580	2.1
108.02108	2.2
109.02883	1.1
109.06509	1.4
109.10132	1.2
110.03655	2.3
111.04448	3.0
111.08101	0.4
111.98473	1.8
112.01576	0.3
113.06001	0.2
113.08244	4.0
113.96398	0.4
116.98613	0.6
117.03394	0.9
119.04926	2.3
119.08583	0.6
121.02873	0.3
121.06492	0.5
121.10149	0.5
123.04447	0.8
123.08059	0.7
123.11637	0.3
125.05988	14.4
127.03911	0.4
127.47880	0.3
129.99496	1.6
131.08598	0.3
131.97382	0.4
132.95837	2.2
133.02875	0.5
133.10127	1.8
134.99608	0.6
135.04424	0.5
135.11685	1.2
136.01535	0.4
137.05988	2.5
137.08183	1.5
137.09641	1.2
137.10561	0.3
138.06702	1.5
139.03888	0.3
141.05461	4.6
145.02831	1.8
147.03375	0.4
147.04430	0.9
148.00586	0.3
149.05997	2.9
150.96901	8.9
151.03906	100.0
151.04987	6.9
151.07481	4.0
152.04291	1.4
153.05449	0.3
154.06306	0.6
155.09273	2.5
155.10487	0.5
155.97406	2.5
161.01187	0.5
161.09631	0.7
161.13271	0.3
163.03909	1.3
165.05504	0.7
168.97928	0.7
169.08623	0.6
173.98495	5.3
173.99907	0.4
177.05446	1.6
179.07051	17.7
179.09294	0.9
179.10493	2.4
179.14297	1.1
180.07532	0.5
197.00128	0.5
197.04398	0.6
197.06189	0.5
197.08102	6.1
197.10060	0.8
197.11769	1.1
197.15424	0.3
197.17175	0.3
198.18475	1.6
219.57581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03939	0.6
55.01872	2.6
55.05508	1.0
55.26738	0.3
55.93524	0.3
56.05033	0.4
56.96572	1.9
57.03423	0.4
57.07074	0.8
59.06112	0.6
62.50013	0.3
65.03947	3.0
67.05508	3.2
67.90792	0.2
68.05038	0.4
68.99791	0.4
69.03425	0.9
69.07069	0.7
70.06591	0.9
70.57333	0.3
70.95860	3.9
71.01342	0.3
71.04971	0.4
71.06103	0.4
71.34814	0.6
72.08142	0.7
72.93780	2.6
73.02921	18.6
79.05496	1.7
81.03427	0.6
81.07063	2.0
83.04978	0.7
83.08597	0.3
84.04483	0.5
84.08134	0.6
85.02906	1.6
85.06548	0.5
85.07675	0.3
85.47827	0.3
86.09669	0.4
87.04439	0.3
88.96901	1.5
88.98547	0.3
90.94827	0.7
91.03955	0.8
91.05484	3.7
93.03408	0.7
93.07032	1.4
95.04980	3.6
95.06098	1.2
95.08588	1.1
96.05604	0.9
97.02887	0.7
97.06527	0.6
97.10151	0.3
98.97588	0.4
99.04453	0.4
105.03404	0.8
105.04522	0.3
105.07027	1.1
107.04956	1.5
107.08604	2.1
108.02099	2.1
108.95894	0.4
109.02882	1.1
109.06521	2.6
109.10147	0.7
110.03662	2.0
111.04462	2.8
111.05172	0.4
111.08031	0.3
111.98481	2.8
113.08253	4.5
114.94849	0.3
117.03384	0.7
119.04956	2.5
119.08585	0.4
120.90153	0.3
121.03954	0.3
121.06472	0.5
121.10172	0.3
122.03579	0.3
123.04474	0.9
123.08061	1.2
123.11721	0.3
124.07625	0.3
125.05996	14.8
127.03907	0.6
128.98662	0.4
129.99538	2.9
131.97426	0.6
132.95828	3.5
133.02861	1.5
133.10117	1.9
135.04463	0.7
135.08087	0.4
135.11693	1.0
135.42148	0.3
136.01558	0.7
137.05992	3.8
137.08205	1.6
137.09689	0.7
138.06715	1.8
139.03880	0.4
139.07555	0.5
141.05466	4.9
142.04800	0.3
145.02831	0.4
147.04437	0.7
149.05974	3.0
150.96892	14.0
151.03912	100.0
151.04993	6.8
151.07460	4.0
151.11226	0.7
152.04257	1.2
153.05466	0.5
154.06256	1.2
155.05655	0.7
155.09303	2.7
155.97449	3.6
161.09637	0.9
165.05508	1.1
168.97960	0.8
169.08676	1.8
169.09975	0.3
173.22511	0.3
173.98506	8.4
173.99922	0.6
179.07053	18.8
179.09415	0.7
179.10545	2.8
179.14206	0.5
180.10091	0.4
182.05803	0.9
183.02751	0.4
183.04222	1.0
197.04456	0.7
197.06198	0.7
197.08109	7.1
197.10291	2.8
197.11809	1.4
197.13242	0.5
198.18571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	Acetosyringone
Peak:m/z	Relative Intensity
51.02375	0.3
53.03932	1.9
55.01859	0.3
55.05507	0.4
56.96583	0.3
57.07078	0.3
65.03938	0.7
66.04725	1.2
67.05518	1.1
68.57998	0.3
68.99786	1.2
69.03425	0.9
69.07065	0.5
69.49638	1.8
70.95865	1.1
71.05009	0.3
72.93783	0.7
77.03957	0.2
78.04700	1.5
79.05493	9.9
80.06268	0.9
81.03418	1.5
81.07059	2.1
83.01358	0.3
83.04980	1.0
85.02900	0.5
90.94864	0.4
91.05482	1.9
93.07045	0.7
94.04190	2.5
95.04964	3.9
95.08605	0.4
96.05737	1.0
97.02861	0.4
97.06533	0.4
105.03394	1.0
105.04505	0.4
105.07033	0.5
106.04175	0.6
107.04952	5.8
107.08599	1.5
108.05779	1.3
109.02900	2.0
109.06517	5.0
109.10149	0.3
111.04454	1.7
111.08081	0.5
111.98495	0.7
115.59399	0.3
116.51752	0.3
119.08562	0.3
121.02851	0.7
121.06494	0.8
121.10091	0.3
122.03642	3.1
123.04425	2.7
123.08064	0.5
124.05225	2.5
125.06000	1.6
126.06756	0.3
127.03928	0.3
129.99527	0.5
132.95828	1.0
133.10141	1.1
135.04478	1.2
135.05368	0.3
135.11684	0.7
136.04239	0.4
136.05202	5.7
137.02364	1.5
137.05978	12.7
138.06717	0.8
139.03897	10.5
139.07529	3.0
141.05460	0.4
141.67711	0.3
149.02374	1.2
149.05974	0.6
150.96875	3.6
151.03903	5.1
151.07527	0.8
151.11224	0.5
152.04684	15.4
153.05481	2.4
153.06686	0.4
154.06256	4.2
155.03368	1.0
155.08521	0.4
155.97435	0.9
161.09621	0.4
163.03908	0.7
164.04712	1.6
165.01768	0.4
165.05467	1.0
167.01985	0.4
167.03400	8.0
167.07062	0.5
167.08565	0.4
169.08585	0.9
169.10010	0.4
173.98462	2.5
179.07033	0.3
179.10634	1.3
181.04961	6.0
182.05746	100.0
183.06076	1.6
185.08112	0.5
197.08092	28.2
197.11655	1.1
197.13045	1.2
198.08408	0.6
198.18494	0.6
215.25192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0808
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03154	0.2
53.03933	0.5
55.01871	2.7
55.05511	0.5
55.93884	0.2
56.05026	0.3
56.96560	1.7
57.03430	0.2
57.07066	0.4
59.06102	0.2
59.86980	0.2
63.02338	0.2
65.03931	2.2
65.12955	0.2
67.05502	2.9
68.04975	0.2
68.99781	0.7
69.03424	0.4
69.07053	0.4
70.06583	0.3
70.07876	1.0
70.95858	1.9
71.01357	0.4
71.04980	0.3
71.06095	0.5
71.41523	0.2
72.93784	1.4
73.02913	21.2
77.03931	0.3
79.05491	1.4
80.02589	0.3
81.03406	0.3
81.07059	1.1
83.04978	0.4
83.06065	0.2
84.08122	0.4
85.02892	0.9
85.06535	0.2
86.09701	0.3
87.04449	0.3
88.96888	0.5
89.03902	0.3
90.94803	0.5
91.03952	0.4
91.05479	4.5
93.03397	0.5
93.07028	1.0
93.30524	0.2
95.01311	0.3
95.04974	3.2
95.06054	0.2
95.08587	0.9
96.05614	0.4
97.02883	0.5
97.06541	0.3
98.97579	0.2
99.04437	0.3
105.03384	0.7
105.07038	1.0
107.04947	0.8
107.08576	1.8
108.02082	2.1
109.02859	0.9
109.06516	1.7
109.10125	0.5
110.03641	2.5
111.04441	2.8
111.05585	0.2
111.08057	0.3
111.98439	1.5
112.01602	0.3
112.07610	0.3
112.12973	0.2
113.08233	2.6
113.96408	0.3
116.98647	0.3
117.03327	0.5
119.04930	2.4
119.08525	0.4
120.05585	0.2
121.03996	0.5
121.06479	0.3
122.03641	0.3
123.04420	0.7
123.08079	0.5
125.05984	14.1
126.06369	0.4
127.03895	0.4
129.99518	1.7
132.95828	1.8
133.02846	1.5
133.10132	1.2
135.04430	0.4
135.11644	0.5
136.01535	0.5
136.05206	0.3
137.05966	3.0
137.08208	0.9
137.09567	0.3
138.06688	0.7
139.07535	0.4
141.05464	4.7
147.04419	0.5
149.05968	2.5
150.96896	6.3
151.03899	100.0
151.04987	7.5
151.07440	3.9
152.04248	1.2
152.08142	0.3
152.10661	0.2
153.05499	0.3
153.09122	0.3
154.06216	0.4
155.09317	1.2
155.97417	1.9
161.09578	0.4
165.05460	0.6
168.43677	0.2
168.97903	0.3
169.08711	0.5
169.83394	0.2
173.97153	0.2
173.98492	3.7
179.07028	17.3
179.09393	0.6
179.10461	1.5
179.14328	0.3
180.07520	0.4
180.10101	0.3
182.05676	0.6
183.04160	0.3
186.03609	0.4
195.04230	0.2
197.04402	0.4
197.06209	0.4
197.08083	5.0
197.10220	0.9
197.11781	1.1
197.17238	0.4
198.18553	0.7
209.01234	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.35820	1.7
53.03949	4.4
55.01875	4.2
55.05514	18.3
56.96567	14.6
57.03434	6.8
57.07058	3.9
57.43875	1.5
65.03937	3.7
67.05507	62.6
67.05876	3.0
69.03415	4.4
69.07073	20.4
71.01364	4.0
71.04996	10.0
71.95290	2.8
77.03950	1.9
79.05492	49.0
81.03414	11.6
81.07059	100.0
82.07417	1.9
83.04980	17.3
83.08612	8.9
83.59125	1.5
85.02900	2.9
85.06548	6.5
89.03930	5.5
89.06032	6.9
91.05486	30.4
91.06048	1.0
93.07046	74.7
94.07381	2.3
95.04977	12.6
95.08606	46.9
97.06538	17.8
97.10174	1.9
99.08109	3.9
103.05489	4.1
105.07018	15.7
107.04961	27.8
107.08599	35.7
109.06526	13.0
109.10159	6.3
111.04423	2.2
111.08081	8.6
115.64688	1.5
117.03386	12.3
117.07015	11.3
119.08577	5.3
121.02864	1.9
121.06499	7.7
121.10164	15.5
123.08075	6.3
125.09618	1.9
128.99918	1.6
131.00194	1.7
131.08556	14.8
131.96129	2.3
133.10129	16.3
134.03659	2.4
135.04454	10.3
135.08063	11.2
135.11682	40.0
137.05994	4.2
137.09642	3.5
138.06657	10.5
139.03899	1.8
139.07597	2.1
139.11185	1.8
145.02844	25.1
145.58510	1.5
148.97420	4.3
149.01183	3.5
149.05963	7.2
149.09645	4.8
149.13268	19.3
149.97240	8.7
151.11188	2.8
153.05492	3.0
153.09145	1.7
154.06297	2.8
157.99245	2.0
159.11673	21.2
163.03891	12.0
163.07576	3.9
165.07022	4.8
167.03516	1.9
167.07050	6.9
167.08514	3.7
171.98940	2.1
177.05486	30.5
177.09155	3.5
177.12743	18.4
180.07883	1.8
180.09381	3.7
195.02850	8.2
195.06616	3.6
195.08719	11.3
195.10240	4.8
195.11734	10.1
195.13821	22.2
195.15739	5.6
196.17014	4.8
213.07832	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.20314	1.2
51.32582	1.0
53.03939	4.0
54.57965	1.1
55.01866	3.9
55.05512	19.7
56.34749	1.0
56.96549	4.0
57.03430	4.8
57.07075	6.5
65.03929	2.9
67.05505	75.2
68.05831	1.2
69.03443	2.5
69.07071	22.6
69.81445	2.7
69.81860	5.2
69.96177	1.3
71.05000	9.1
74.18275	1.3
79.05494	46.8
81.03419	17.0
81.07059	100.0
82.07394	1.5
83.04986	20.5
83.08631	11.4
85.02917	1.3
85.06539	5.7
89.03902	1.7
89.06047	3.1
91.05480	32.1
91.06020	2.4
93.07047	69.4
94.07377	1.3
95.04974	12.3
95.08611	36.6
97.06529	17.1
97.10180	1.2
99.08089	2.9
103.05483	1.6
105.04533	1.3
105.07048	12.9
107.04965	7.2
107.08602	31.2
109.02881	1.3
109.06478	5.5
109.10168	5.1
111.04434	2.0
111.08085	9.3
113.09651	1.5
117.03339	2.8
117.07011	13.0
119.08578	5.6
121.06528	6.8
121.10141	16.5
123.11759	2.1
125.09620	2.9
127.07552	1.3
131.08578	14.0
131.96179	1.8
133.10136	18.1
135.04436	2.3
135.08081	7.5
135.11702	31.7
137.09628	1.9
138.06622	7.8
139.03911	2.8
139.07629	1.7
139.11157	2.5
145.02815	5.8
145.10054	2.2
149.05945	3.5
149.09618	2.0
149.13275	19.0
149.97217	5.3
151.11165	3.5
153.58279	1.2
159.11702	16.0
163.03963	3.1
165.07109	2.2
167.07236	1.1
172.98788	2.3
177.05457	8.9
177.09099	1.4
177.12737	13.1
180.09290	2.6
195.02826	5.8
195.06749	1.2
195.08731	7.9
195.10222	3.3
195.11703	3.4
195.13815	18.6
195.15736	2.3
195.17415	8.9
196.17081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.56881	2.1
53.03939	6.7
55.01865	5.6
55.05301	2.0
55.05511	24.1
56.96561	2.4
57.03438	10.2
57.03671	1.8
57.07058	7.6
65.03934	4.5
67.05505	76.8
69.03418	4.8
69.07074	23.7
71.01356	4.7
71.04983	10.4
71.60433	2.6
71.60963	3.4
71.95247	2.3
79.05061	3.6
79.05493	54.1
81.03414	21.0
81.07057	100.0
83.04981	26.5
83.08607	13.7
84.08155	2.4
85.02839	2.3
85.06531	7.4
89.03912	6.4
89.06017	4.7
91.05480	39.5
93.07042	80.9
93.07631	4.1
95.04967	13.4
95.08050	3.0
95.08610	40.5
97.06533	17.9
97.10152	2.1
99.08080	4.0
103.05464	2.1
105.07027	17.0
107.04974	14.7
107.08591	40.1
109.06500	7.3
109.10155	7.0
111.08056	10.6
113.09637	2.3
116.40421	1.9
117.03385	6.4
117.06994	14.6
119.08566	7.1
121.06506	11.4
121.10145	26.0
123.08076	2.8
125.06003	3.3
125.09700	2.4
129.07071	2.0
131.08580	14.9
131.96095	2.9
133.10118	19.8
135.04413	6.5
135.06541	2.6
135.08014	7.9
135.11690	34.9
137.09628	2.4
138.06613	8.4
139.03958	2.8
139.11198	4.0
145.02797	12.6
145.10121	2.3
148.97389	3.7
149.05991	6.1
149.09586	4.7
149.13257	18.5
149.97211	9.8
151.11156	3.5
153.05432	3.4
153.09097	3.0
159.11670	16.8
163.03906	4.5
167.03586	2.3
167.07019	4.4
167.08566	2.5
167.98189	2.2
172.98727	3.3
177.05461	21.2
177.09056	4.6
177.12749	11.8
195.02875	9.0
195.08813	11.9
195.10239	4.1
195.11717	6.9
195.13791	24.8
195.15646	3.0
195.17444	12.5
196.16963	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.15368	0.7
53.03937	3.0
55.01859	3.2
55.05509	17.6
55.72856	0.8
56.96297	1.1
56.96565	20.8
57.03438	5.7
57.07058	3.4
59.04980	0.8
60.02151	0.9
65.03925	3.6
67.05505	63.3
69.03421	1.9
69.07069	22.5
70.98132	4.3
71.01350	2.2
71.05000	8.0
71.95242	1.3
73.02901	1.2
74.77636	0.7
74.97607	1.4
79.05494	47.5
81.03416	11.4
81.07056	100.0
81.65446	0.7
82.07382	1.6
83.04980	16.1
83.08616	11.8
85.02888	1.1
85.06538	4.3
87.04456	1.1
88.99180	3.7
89.03921	1.6
89.06017	3.4
91.05478	31.1
92.98620	1.1
93.07043	69.8
94.01808	1.2
94.07376	1.9
95.04971	13.3
95.08607	35.6
97.06526	13.6
97.10178	1.9
99.04433	0.9
99.08085	2.9
103.02312	0.7
103.05495	1.2
105.06380	1.2
105.07027	13.0
107.00198	2.5
107.04947	5.3
107.07864	1.6
107.08593	33.0
109.02903	0.9
109.06544	5.2
109.10136	4.7
111.08089	8.3
113.09659	1.0
117.03366	3.3
117.07021	12.5
119.08585	4.8
121.06521	6.7
121.10152	14.3
123.08035	1.6
123.11693	1.6
125.06006	1.6
125.09581	1.0
131.00198	1.5
131.08551	13.1
131.96179	1.2
132.06227	1.6
133.10126	17.3
135.04387	2.1
135.08081	6.0
135.11696	33.5
136.12004	0.9
137.06056	1.1
137.09608	0.9
138.06602	2.8
139.03900	1.0
139.07515	2.5
141.06741	1.2
142.06436	2.3
144.06213	1.7
145.02808	4.3
145.06963	0.9
147.11652	1.9
148.97360	1.2
149.01262	1.1
149.05968	2.0
149.09612	3.3
149.13261	19.2
149.97186	3.4
151.06982	5.6
151.11189	2.3
153.09068	1.1
157.10205	1.3
159.11685	18.6
160.07526	9.8
160.57700	1.3
162.57806	2.3
163.03909	2.8
167.07060	1.5
167.08334	1.0
167.98293	0.8
169.08034	1.1
171.58299	1.7
171.99033	1.2
172.08517	0.8
172.98880	1.5
177.05475	7.2
177.09125	1.4
177.12753	11.9
186.05530	0.9
195.02887	2.6
195.08791	3.9
195.10194	1.3
195.11717	2.5
195.13814	21.4
195.15663	2.0
195.17447	0.9
196.16948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Clavularin A
Peak:m/z	Relative Intensity
53.03944	1.3
54.37045	0.5
55.01866	2.4
55.05514	5.8
56.96556	2.5
57.03439	40.1
57.07064	0.9
59.04973	0.6
59.58952	0.5
62.20227	0.5
65.03927	1.0
67.05510	11.6
69.03427	0.9
69.07061	2.3
70.75970	1.6
71.04998	1.0
75.04472	1.7
79.05067	1.0
79.05494	11.7
81.03413	2.2
81.07051	8.3
81.50703	0.4
82.03761	0.6
83.04981	2.8
83.08608	0.8
85.06551	8.7
89.03908	2.0
89.06055	1.0
91.05479	5.6
93.07047	18.5
95.04968	8.1
95.08609	18.6
97.06564	2.7
98.20868	0.7
99.08095	2.2
103.05467	1.7
105.07042	6.2
107.04959	8.3
107.08595	6.4
109.06512	2.1
109.10178	1.3
111.04415	1.1
111.08089	4.5
115.05531	0.7
117.03352	2.9
117.07021	2.0
117.65905	0.6
118.01083	0.7
119.08558	1.7
121.06516	1.5
121.10149	4.1
123.08069	100.0
124.08401	2.0
125.06029	1.1
130.07861	0.6
131.03464	0.5
131.08580	2.3
133.02876	1.0
133.06572	0.8
133.10181	0.7
134.03635	0.6
135.04413	2.1
135.08070	4.4
135.11687	4.5
136.52634	0.5
137.09625	1.7
138.06625	2.6
139.03879	0.9
139.11177	3.1
145.02829	5.3
148.97316	1.0
149.06024	2.2
149.13333	2.5
149.97186	1.8
153.05457	0.7
153.09061	0.7
154.06306	3.0
154.07382	0.8
159.11703	1.8
159.52429	1.7
163.03862	3.1
163.07620	1.8
165.05495	0.5
165.06926	0.8
166.09178	0.8
167.07065	2.6
167.08496	0.8
168.52960	0.8
172.02815	1.0
175.09747	0.6
177.05467	8.6
177.09061	0.6
177.12746	5.8
180.09288	0.6
181.03358	5.1
183.08563	0.6
192.54195	1.0
195.02960	2.6
195.06570	0.8
195.08754	3.1
195.10197	2.3
195.11748	1.5
195.13824	5.7
195.15538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03961	4.9
55.01864	8.9
55.05515	31.6
55.88022	4.8
56.96555	20.3
57.03440	40.3
57.07084	11.5
67.05514	36.6
69.05785	4.3
69.07067	55.9
69.42851	32.1
69.43263	11.5
69.68740	4.4
71.04985	9.8
74.76684	4.0
79.05498	45.5
81.07064	48.8
83.04969	5.9
83.08624	8.2
85.06551	21.6
89.03926	13.2
91.05500	18.0
92.98481	4.7
93.07047	67.4
95.04969	24.9
95.08611	42.8
97.06534	12.0
99.08104	8.0
103.05437	7.8
105.07044	21.6
107.04961	53.0
107.08597	49.3
109.06535	15.6
109.10159	10.4
111.04429	6.2
111.08089	13.4
117.03390	22.0
117.07051	11.8
119.08610	18.2
120.09350	5.0
121.02872	9.6
121.06496	11.9
121.10153	20.3
123.08068	100.0
125.06006	9.5
131.08563	9.6
133.06584	5.0
133.10129	15.3
135.04402	12.0
135.08064	15.9
135.11682	53.7
137.09654	10.2
138.06624	11.5
139.65585	5.0
142.02098	4.4
145.02843	38.5
149.06004	16.6
149.09599	10.2
149.13258	16.9
149.97205	9.6
152.05885	10.0
154.06267	4.8
159.11690	8.2
161.06458	11.3
163.03932	23.2
163.07564	9.1
164.29816	4.5
167.07047	14.9
177.05444	48.6
177.09116	10.0
177.12761	43.2
195.02870	13.9
195.06671	8.6
195.08699	12.1
195.10197	12.1
195.11861	9.3
195.13818	30.1
195.15511	5.9
203.05876	5.3
209.79962	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.53781	1.5
53.03945	4.3
55.01860	6.5
55.05515	15.2
56.96564	9.9
57.03436	5.1
57.07075	4.9
58.19278	1.6
59.04995	1.8
65.03941	5.2
65.62129	1.6
66.92829	1.6
67.05505	54.4
69.03435	3.3
69.07068	24.2
70.07525	1.6
71.01337	2.4
71.05003	11.5
71.61455	2.1
71.85897	1.7
71.89893	1.6
76.33265	2.0
79.05495	48.8
80.05822	2.0
81.03416	11.0
81.07059	100.0
82.30257	1.8
83.04988	14.3
83.08604	11.4
85.06568	4.1
89.03924	8.6
89.06039	5.4
91.05481	35.5
91.19285	1.7
93.03479	1.9
93.07039	65.1
95.04976	15.2
95.08601	42.2
97.06538	15.3
97.10173	4.4
99.04449	2.3
99.08083	2.8
103.05486	5.7
105.07024	20.1
107.04955	38.3
107.08591	30.8
109.02861	1.6
109.06540	13.4
109.10174	5.7
110.07190	2.9
111.04418	4.8
111.08075	8.5
113.06015	2.5
113.76195	1.7
115.05434	2.4
117.03387	15.2
117.07040	9.7
119.08589	4.8
121.02866	2.0
121.06475	8.9
121.10132	12.8
123.08092	7.0
124.05231	1.8
125.06023	2.2
131.08556	16.7
133.06450	2.3
133.10112	16.3
134.03667	1.9
135.04422	11.1
135.08067	14.9
135.11691	40.6
137.05992	2.3
137.09642	4.5
138.06647	10.2
139.03935	2.6
139.07544	3.2
139.11143	2.1
145.02849	27.2
145.85544	1.7
148.97409	3.9
149.01300	2.3
149.06033	8.7
149.09622	6.0
149.13252	19.9
149.97195	6.8
151.11205	2.8
153.05421	2.9
154.06248	5.3
159.11703	17.5
163.03899	13.8
163.07603	8.6
165.07039	5.7
167.07060	8.5
167.08476	3.6
169.05573	1.8
177.05476	31.9
177.09122	5.0
177.12749	17.8
180.07903	1.9
180.09372	5.5
186.05518	2.2
195.02815	9.6
195.06631	3.3
195.08755	11.9
195.10477	9.6
195.11734	9.1
195.13829	22.1
195.15556	3.3
196.16969	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03947	4.5
54.27504	2.2
55.01867	5.3
55.05515	22.0
56.96559	6.9
56.96822	2.5
57.03434	4.7
57.07077	16.2
65.03941	3.6
67.05173	4.1
67.05506	61.3
69.03426	4.9
69.04978	2.1
69.07062	25.1
70.06585	2.6
71.01355	3.9
71.04989	5.7
71.60454	2.4
71.60914	2.9
71.95251	2.8
71.97518	2.5
79.05495	47.6
81.03420	21.5
81.07059	100.0
83.04986	22.1
83.08609	8.7
85.06520	4.9
89.03913	5.8
89.06040	6.9
91.05478	33.8
93.07047	67.8
95.04974	13.9
95.08047	4.1
95.08608	50.9
97.06537	19.0
99.04451	2.4
99.08096	2.7
101.43129	2.6
103.05480	4.4
105.07028	16.0
107.04971	11.9
107.08599	35.8
109.06522	6.2
109.10162	7.6
111.08076	11.6
117.03386	13.0
117.07015	13.3
119.08537	5.2
121.06509	8.2
121.10158	17.4
123.08071	2.9
123.11729	2.9
131.08583	14.2
131.96175	3.9
133.10121	18.2
135.04385	5.2
135.08089	10.5
135.11708	38.8
137.09633	5.0
138.06648	8.2
139.03935	3.2
139.11172	32.9
144.09312	2.9
145.02869	13.8
148.97382	3.6
149.01210	3.6
149.06100	3.4
149.09637	5.8
149.13275	21.6
149.97202	12.7
151.11148	3.8
159.11685	21.3
163.03923	8.7
165.07011	5.4
167.02167	2.5
172.98717	3.9
177.01736	2.4
177.05472	24.6
177.08911	2.8
177.12807	14.9
177.16290	2.6
180.09366	3.9
195.02861	12.5
195.08960	12.8
195.10213	4.5
195.11778	8.6
195.13826	26.4
195.15645	3.6
195.17484	9.7
196.06073	2.7
196.17087	2.3
201.47592	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03956	1.3
55.01879	1.3
55.05513	1.5
56.96569	0.9
57.03447	1.1
57.07079	0.9
63.02370	0.9
65.03939	1.5
67.01872	0.4
67.05514	2.0
68.99802	0.5
69.03442	1.1
69.07066	3.9
69.28271	1.4
69.28693	3.4
71.04977	0.4
77.03940	0.5
78.04716	1.2
79.05495	6.8
81.03432	1.1
81.07063	2.3
83.04983	1.3
83.08620	0.6
84.08161	0.5
84.64634	0.4
85.02917	0.5
85.06550	0.5
86.44790	0.4
87.04425	0.4
89.03922	26.2
89.06037	1.1
91.05477	5.9
93.07042	3.8
95.04970	3.9
95.08622	2.2
97.02880	0.6
97.06540	1.1
97.76707	0.5
98.20723	0.8
98.97595	1.7
103.05484	2.3
105.03393	0.7
105.04518	0.4
105.07018	2.2
106.04204	1.7
107.04961	25.7
107.08596	2.6
109.06511	1.1
109.10168	1.1
111.04444	3.1
111.08085	1.2
111.11710	0.6
115.05444	0.5
116.98633	0.7
117.03384	47.1
117.06995	0.6
118.03731	0.4
119.04945	0.9
119.08575	1.9
120.02074	0.5
121.02859	1.0
121.06535	2.4
121.10159	1.8
121.19024	0.4
123.04448	1.0
123.08078	1.5
123.11707	0.5
124.05238	0.9
125.06026	1.5
128.60995	0.4
131.08568	1.0
133.02872	1.3
133.06557	0.5
133.10123	1.0
134.03647	9.1
134.99649	0.8
135.03403	0.9
135.04428	15.2
135.07179	0.5
135.08075	3.3
135.11717	1.8
136.08679	0.6
137.06012	0.8
137.09630	1.0
138.06604	2.3
139.03853	0.6
139.07491	0.7
145.02852	84.3
146.03178	0.7
148.97429	0.7
149.02426	0.5
149.05981	22.6
149.09621	1.7
149.13208	0.9
149.97206	0.6
151.03934	0.5
151.07596	0.6
151.11198	0.5
152.04767	0.4
152.06177	0.4
153.05447	2.5
154.06274	0.5
158.99670	0.5
159.11679	1.0
162.03094	2.2
163.03914	20.0
163.07596	2.6
165.05556	0.6
165.07040	0.6
167.07051	3.7
167.08427	0.9
169.35794	0.4
174.07246	0.6
177.05476	100.0
177.12741	1.5
178.05798	1.2
180.07779	0.5
186.05542	2.6
191.51022	0.5
195.01408	0.4
195.02899	2.4
195.06763	3.6
195.08713	3.1
195.10158	2.5
195.11758	0.5
195.13826	1.8
195.15662	0.8
195.17451	0.6
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
53.03947	0.4
55.01882	0.6
56.96536	0.4
57.92892	0.4
63.02382	1.0
65.03937	1.5
68.66572	0.4
69.33562	2.9
69.33970	0.9
75.64194	0.4
78.04707	1.1
78.33174	0.4
79.05500	2.1
81.07034	0.7
84.78257	0.4
89.03921	25.1
89.83675	0.4
91.05479	3.5
93.03418	0.7
93.07037	1.8
95.04951	1.5
98.97582	0.5
103.05475	1.6
105.07021	0.7
106.04215	2.0
107.04974	2.5
107.08637	0.6
111.04444	2.0
116.65134	0.4
117.03381	48.2
119.04959	0.4
121.06480	2.2
124.05223	0.7
125.06016	1.8
134.03645	7.8
135.04422	9.5
135.08095	0.7
135.11745	0.6
138.06602	0.4
145.02849	88.4
147.04498	0.6
148.97360	0.4
149.05983	21.8
149.09650	0.7
149.13182	0.4
153.05501	2.8
159.79967	0.4
162.03113	2.2
163.03909	10.2
167.07097	0.5
177.05475	100.0
178.05766	1.1
186.05547	1.3
195.02914	1.2
195.06499	1.6
195.08725	0.9
195.10307	0.5
195.65793	0.4
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
53.03942	1.1
55.01869	1.1
55.05502	0.8
56.96579	0.7
57.03440	1.1
60.16438	0.4
63.02050	0.4
63.02375	0.9
65.03932	1.5
67.05489	1.4
68.99799	0.5
69.03420	1.0
69.07053	1.3
70.84551	0.7
70.84908	1.2
71.04990	0.6
71.62286	0.4
78.04700	1.5
79.05492	4.2
80.40501	0.5
81.03411	1.1
81.07042	1.9
82.02902	0.7
83.04990	0.6
83.06083	0.5
84.08134	0.8
85.02888	1.0
89.03918	27.2
89.06030	0.9
91.05483	5.7
93.03412	1.3
93.07042	3.9
95.04971	3.0
95.06116	0.5
95.08630	1.2
97.02884	0.6
97.06528	0.5
97.07681	0.8
99.04449	0.5
99.05578	0.8
100.53276	0.4
103.05466	2.6
105.04516	0.7
105.07024	0.9
106.04157	2.0
107.04960	6.3
107.08600	2.2
108.05606	0.4
109.06503	1.2
109.98934	0.5
111.04446	3.0
111.05572	3.6
111.08064	1.1
117.03384	51.2
118.03712	0.6
119.04926	1.7
119.08617	0.5
121.02859	2.4
121.06512	2.9
121.10140	1.5
122.06060	1.2
122.09680	0.6
123.04478	0.5
123.08040	0.8
124.05187	0.9
125.06020	2.4
125.07111	1.6
126.05513	1.3
130.96274	0.4
131.04906	0.7
131.08594	1.2
134.03644	8.0
134.99681	0.5
135.04430	11.5
135.08044	1.6
135.11676	0.8
137.05959	0.5
137.09540	0.5
138.06639	1.6
139.03986	1.0
139.05031	3.1
141.21794	0.5
145.02847	88.3
146.03209	0.8
148.97366	0.8
149.02408	0.7
149.05983	23.9
149.09654	2.3
151.03882	0.5
151.07526	1.7
153.01852	2.7
153.05475	4.2
153.06573	0.9
159.11707	0.7
162.03180	2.6
163.03923	12.4
163.07614	0.9
167.03453	0.9
167.07047	2.1
167.08319	0.5
167.11823	0.5
171.02856	0.8
171.99098	0.5
177.05476	100.0
186.05554	1.3
195.02922	2.9
195.05084	0.5
195.06502	3.7
195.08665	1.7
195.10196	1.8
195.13965	0.5
195.15875	0.6
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
53.03950	5.0
55.01877	5.2
55.05506	11.6
56.05022	1.4
56.96569	5.7
57.03437	5.0
57.03667	0.9
57.07067	2.2
61.02913	1.3
63.00887	0.9
63.02383	1.2
65.03936	6.8
66.54691	0.7
67.05508	6.4
68.96338	0.9
68.99800	2.1
69.03421	9.3
69.04568	1.5
69.07058	5.4
70.00637	0.8
70.06560	1.6
71.04988	2.7
71.59679	1.8
72.08133	1.0
73.02905	2.5
77.03929	1.4
77.57810	1.0
78.04687	1.6
79.05496	17.3
81.03426	5.8
81.04531	2.0
81.07061	13.9
82.06581	1.3
83.04992	5.1
83.06105	2.2
83.08614	4.3
84.08124	1.6
85.02898	5.4
89.03919	25.1
89.06020	4.3
91.05476	13.9
92.15623	0.9
93.03412	3.6
93.07040	15.6
95.04964	11.4
95.06100	1.5
95.08612	4.4
97.02885	16.3
97.03949	1.0
97.06542	5.4
97.07657	2.2
98.97565	1.5
99.04441	1.7
99.05544	1.3
101.00870	1.1
103.02430	1.4
103.05490	4.7
105.03321	0.8
105.04510	1.5
105.07018	7.9
106.04175	3.8
107.04960	25.1
107.08588	14.3
107.39960	0.9
108.05631	1.2
109.02869	3.5
109.03954	1.1
109.06510	7.3
109.07638	1.3
109.10136	2.1
109.98933	1.1
110.07158	2.4
111.04446	11.9
111.05546	2.5
111.08078	3.4
111.09184	1.0
116.98612	1.8
117.03378	50.0
117.07069	1.3
119.01903	6.5
119.04939	2.3
119.08598	4.6
121.02843	7.8
121.03569	0.9
121.06519	10.6
121.10158	8.7
122.07137	1.0
123.04429	3.2
123.08051	2.6
124.05198	1.9
125.05995	8.6
125.09601	2.0
127.03920	2.1
128.02351	1.8
131.01898	2.4
131.04900	1.2
131.08588	4.3
133.02808	2.3
133.06427	2.1
133.10139	2.5
134.03624	10.7
134.99664	1.8
135.04411	23.9
135.05434	2.1
135.08061	10.1
135.09085	1.2
135.11667	6.2
136.05081	1.1
136.08638	1.3
137.06010	2.4
137.09613	2.7
137.10695	1.1
138.03159	1.9
138.06639	7.5
139.03966	6.5
139.04964	1.6
139.07521	3.3
143.01892	2.7
145.02838	84.9
148.08557	0.9
148.97348	4.0
149.02289	6.0
149.05951	27.9
149.09592	8.9
149.13264	2.7
150.03119	1.3
150.09137	1.4
151.03885	3.4
151.07539	2.4
151.09500	1.2
151.11118	1.9
153.01801	2.7
153.05470	32.6
153.07527	1.2
153.09048	1.5
153.12717	0.9
153.97911	1.3
159.05035	2.5
159.11674	2.7
160.06546	10.1
160.56593	1.7
161.02962	7.2
161.04897	1.1
161.06543	1.6
162.03110	3.9
163.02579	2.0
163.03902	24.5
165.05540	1.5
167.03413	6.5
167.07021	5.6
171.98912	1.3
173.06517	1.0
175.08223	5.1
177.05464	100.0
177.08942	7.5
177.12729	4.3
178.09772	1.5
183.06760	1.3
185.02966	1.4
185.06590	1.9
186.05470	1.5
193.09166	3.5
194.15370	0.9
195.01111	1.8
195.02907	25.7
195.04904	1.5
195.06503	9.3
195.08743	11.1
195.10199	7.8
195.12151	5.6
195.13847	5.6
195.15736	1.7
203.04083	1.2
203.07678	2.5
204.07674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03940	3.0
55.01857	5.6
55.05271	2.0
55.05513	31.0
57.03423	3.6
57.07076	10.1
59.04997	3.7
65.03948	2.0
67.05175	2.5
67.05505	35.3
69.03428	17.9
69.07066	23.3
69.34825	13.5
71.04980	5.3
71.08608	1.5
71.09511	1.6
79.05492	19.5
81.03424	2.5
81.07058	38.4
83.04977	35.2
83.08617	15.2
85.06524	5.3
85.14082	1.4
86.10545	1.6
91.05470	19.6
93.07040	27.7
95.04958	6.6
95.08606	73.5
97.06516	5.7
97.10152	4.5
98.20667	3.1
99.08089	4.7
103.05482	7.9
104.06283	3.7
105.07030	72.9
106.07330	2.9
107.07859	3.4
107.08591	61.6
109.06517	22.1
109.10156	100.0
111.08097	12.0
115.05463	9.0
117.07011	3.0
118.04174	9.0
119.08582	79.6
120.10326	1.4
121.10138	44.8
122.07323	1.7
123.08067	54.3
123.11692	14.0
125.09595	3.8
131.04922	3.2
131.08551	2.9
132.05753	1.8
133.02849	3.1
133.06497	40.9
133.10129	53.7
134.06882	1.7
134.10576	1.7
135.08084	3.6
135.11691	91.8
136.12079	2.6
137.09622	42.9
138.10371	5.8
143.05968	2.9
145.10101	2.5
147.11691	7.3
149.13269	20.3
150.03151	2.5
151.11203	12.7
151.14810	13.2
156.59592	1.8
161.05975	30.2
165.16386	4.2
175.14824	51.3
175.16275	3.5
178.02603	5.7
178.06252	2.2
191.33838	1.6
193.04974	9.7
193.08618	34.5
193.12219	3.1
193.15886	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.38665	0.9
53.03942	3.1
55.01871	5.8
55.05510	10.0
57.03424	3.0
57.07076	2.3
65.03941	1.7
67.05166	1.4
67.05502	18.3
68.99741	0.8
69.03420	4.1
69.07072	7.5
70.40321	2.6
71.04984	1.8
77.03913	1.0
78.04710	0.9
79.05492	21.0
81.03420	35.2
81.07057	14.6
83.04984	9.1
83.08620	6.1
85.06530	2.1
88.67321	0.8
90.04688	1.1
91.04961	1.4
91.05484	18.0
93.07046	9.2
95.04969	19.4
95.08046	1.4
95.08607	16.8
96.08967	0.8
97.02888	1.1
97.06514	2.8
97.10164	0.9
98.21518	1.1
99.08096	1.0
99.60160	0.8
103.05476	15.2
104.06268	4.1
105.03388	1.8
105.07032	100.0
106.07330	2.4
107.04981	4.5
107.08583	14.0
109.06528	6.9
109.10155	25.3
111.04444	0.8
111.08065	3.2
115.05449	17.1
118.04166	8.6
119.04965	1.6
119.07800	1.1
119.08584	17.8
121.06520	2.1
121.10138	9.2
123.04398	1.2
123.08065	11.6
123.11691	3.4
125.05851	0.9
129.07010	2.6
131.04948	4.2
131.08556	3.9
132.05731	4.0
133.02870	6.1
133.06491	75.7
133.10126	15.2
134.06845	2.5
135.08057	1.7
135.11694	19.5
137.05980	3.0
137.09634	11.7
138.10371	1.5
142.07805	1.1
143.04991	1.7
143.05981	4.5
147.04352	1.6
147.08025	1.7
147.11662	5.4
149.05978	2.9
149.09602	1.3
149.13263	3.9
150.03110	2.5
151.03986	1.0
151.07561	1.0
151.11140	4.2
151.14786	2.1
157.10132	2.1
160.05197	2.8
161.05984	67.5
162.06374	2.8
165.05524	1.5
165.09091	1.7
165.12726	0.8
165.16463	1.2
166.53461	0.8
175.07545	0.9
175.11201	3.7
175.14836	11.6
178.02628	9.3
178.06210	3.1
178.07608	1.0
193.04967	17.5
193.08609	74.3
193.12207	8.4
193.14151	1.6
193.15883	21.8
194.05235	1.2
194.08882	3.0
194.15369	1.0
212.94514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05508	29.2
57.03432	2.3
57.07082	10.6
57.95941	1.6
59.04984	2.4
64.60643	1.9
67.05186	2.8
67.05505	37.7
69.03431	18.9
69.07069	27.3
70.93560	4.1
71.04971	6.4
71.08612	3.0
79.05489	14.9
81.03367	1.9
81.07057	41.6
83.04981	36.3
83.08627	19.1
85.06515	6.3
91.05484	14.4
93.07043	24.6
95.04972	4.0
95.08605	77.2
95.86102	1.8
97.06525	6.0
97.10149	4.5
99.08096	3.5
103.05433	3.5
105.07029	42.4
106.07383	2.0
107.08589	61.7
109.06518	25.0
109.10155	98.2
111.08080	16.3
115.05434	4.1
117.07048	2.9
119.08582	68.8
121.10143	38.4
121.55154	1.8
123.07198	3.2
123.08073	61.1
123.11671	12.7
125.09649	4.5
133.06494	12.5
133.09119	2.3
133.10133	55.1
135.11688	100.0
136.12001	2.9
137.09613	44.4
138.10387	7.2
146.01234	1.9
147.11682	5.2
149.13249	21.9
151.11162	16.5
151.14790	11.3
161.05946	8.0
165.16368	7.0
175.14822	54.2
176.15158	2.3
193.04778	2.5
193.08658	10.6
193.10193	2.0
193.15875	93.0
194.16261	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03933	1.6
55.05512	10.2
55.52975	1.0
57.07064	4.2
57.43961	1.1
59.04998	1.4
64.45329	1.3
65.03917	1.7
67.05505	12.3
69.06726	2.0
69.07068	26.5
71.04993	14.0
79.05489	10.3
81.03410	2.7
81.07055	23.6
82.66998	1.1
83.05000	1.8
83.08598	3.1
85.06540	12.4
91.05467	10.2
93.06459	2.1
93.07041	27.9
95.04360	1.9
95.04969	40.0
95.08048	1.6
95.08606	20.5
97.06538	2.9
97.10168	6.7
99.08094	4.6
103.05444	2.0
105.06384	1.7
105.07034	20.1
107.04945	1.4
107.08598	33.3
109.06515	100.0
109.10155	14.5
110.06783	1.8
111.08067	6.3
111.11707	3.4
115.05429	2.6
119.08582	30.8
121.10145	10.2
123.08080	9.1
123.11713	20.4
123.17607	1.2
125.09599	2.0
127.88196	1.0
133.02826	3.3
133.06499	8.3
133.10144	24.0
135.08087	1.6
135.11693	37.8
137.05936	2.4
137.09621	14.3
146.97490	1.9
147.07976	1.4
147.11688	5.4
149.02306	3.1
149.13260	8.6
150.03075	3.2
151.11197	7.1
151.14798	1.8
158.28284	1.0
161.05960	6.0
165.05486	1.4
169.99013	1.4
175.11221	1.0
175.14828	38.9
178.02603	12.6
179.03073	1.2
193.04950	23.2
193.08591	3.7
193.10321	1.5
193.12251	6.0
193.15874	59.7
194.15445	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02383	0.5
53.03944	1.5
55.01871	8.4
55.05509	5.1
56.96562	1.6
57.03429	4.6
57.07077	2.4
59.04980	0.9
65.03939	2.0
66.04716	0.8
67.05502	25.1
68.99762	0.7
69.03429	2.2
69.07066	8.9
71.04990	3.6
71.61053	0.6
77.03918	0.9
78.04689	1.1
79.05490	29.2
81.03414	5.3
81.07053	27.1
83.04983	4.7
83.08624	2.1
85.02905	0.6
85.06536	3.7
90.04712	0.5
91.05476	41.3
92.05823	0.7
93.07038	13.2
94.04158	0.9
95.04964	14.2
95.08598	12.0
97.05909	1.0
97.06529	16.5
99.04415	0.7
99.08089	2.0
100.61635	0.5
103.05465	14.7
104.06257	4.0
105.03410	1.2
105.07027	100.0
106.07350	1.3
107.04958	6.3
107.08592	9.5
109.02870	0.7
109.06513	15.4
109.10161	9.5
111.04436	1.4
111.08080	1.3
112.52422	0.5
113.05996	3.3
115.02341	0.5
115.05456	15.4
116.06248	0.6
117.07017	1.6
118.04161	9.6
119.04932	1.9
119.08578	30.5
120.08917	0.8
121.02834	0.6
121.06512	1.7
121.10152	5.8
122.03652	1.2
123.04459	0.9
123.08056	5.5
123.10905	0.5
123.11682	3.2
125.05991	1.7
127.07539	0.9
128.06216	1.2
128.39488	0.5
129.07010	15.6
131.04927	2.9
131.08557	10.4
132.05696	3.4
133.02850	6.9
133.06490	69.1
133.10120	29.8
134.06894	1.5
135.04362	0.8
135.08012	2.5
135.11688	5.4
137.05966	4.9
137.09622	5.1
137.13255	0.9
142.07764	4.5
143.04922	1.4
143.06035	3.8
145.10118	1.4
146.97394	1.2
147.04430	0.9
147.08066	4.0
147.11681	47.2
148.12048	0.7
149.02357	1.7
149.05977	2.1
149.09604	12.1
149.13223	1.5
150.03140	4.2
150.06744	1.5
151.03859	0.7
151.07574	1.7
151.11177	1.9
151.14751	0.7
157.10123	37.1
158.10443	0.5
160.05203	1.5
161.05974	56.0
162.06352	1.5
165.05501	1.1
165.06844	0.7
165.09090	1.8
165.12769	4.8
175.03905	0.7
175.11188	45.7
175.14772	6.0
176.11522	1.2
178.02612	14.4
178.06183	2.4
178.07645	0.6
189.04291	0.6
193.04956	24.8
193.08598	50.9
193.12234	34.5
193.15849	7.6
194.05244	0.7
194.08981	1.3
194.12556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
52.87333	1.7
53.03938	7.9
55.01866	8.3
55.05513	11.3
56.96545	3.2
57.03436	70.9
57.07077	2.4
65.03912	3.5
67.05502	23.8
69.03416	5.9
69.07056	4.4
70.00419	5.0
70.00817	3.4
71.04986	2.9
73.84428	1.6
79.05493	28.1
79.40630	1.7
81.03420	63.7
81.06651	2.1
81.07059	23.9
83.04961	4.3
83.08616	6.9
85.06545	5.7
91.05481	53.8
93.06488	3.3
93.07043	46.4
95.04378	2.5
95.04966	39.9
95.08612	13.1
97.06515	5.4
98.21574	2.1
99.08096	2.5
103.05445	8.3
104.06171	2.5
105.07030	100.0
107.04959	6.0
107.08585	13.5
108.61113	1.7
109.06538	8.3
109.10159	18.9
111.08098	3.6
115.05460	10.0
117.07011	8.2
118.04142	5.0
119.04901	2.9
119.08579	82.7
120.05273	2.0
121.05659	3.2
121.06499	46.0
121.10165	6.7
122.03640	1.8
123.08038	3.6
123.11749	2.7
128.04250	1.7
129.06987	8.1
131.04967	2.4
131.08554	9.8
131.18085	1.7
132.05795	2.9
133.02853	4.0
133.06490	51.5
133.10130	42.9
135.08022	7.6
135.11681	5.7
137.06006	4.7
137.09624	35.5
139.73393	1.9
142.07758	10.4
143.06059	2.9
145.06496	3.3
145.10147	2.7
146.07248	3.9
147.08064	12.9
147.11682	39.8
149.06029	2.2
149.09567	3.6
149.13203	1.8
150.03139	8.5
157.10118	9.1
160.08827	7.1
161.02242	1.9
161.05986	29.3
165.09113	2.6
165.12694	2.7
175.11188	44.8
175.14833	4.0
178.02599	22.7
193.04980	32.2
193.08600	35.1
193.12251	26.4
193.15933	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.01604	0.4
53.03946	4.7
55.01873	5.8
55.05509	9.6
56.96568	0.9
57.03428	3.0
57.07071	1.5
59.05006	0.9
65.03944	3.2
66.04736	0.9
67.05505	28.4
68.99778	0.6
69.03430	3.5
69.07066	6.0
69.65056	0.4
70.15590	2.0
71.04992	2.2
77.03923	0.7
79.05494	27.4
81.03417	100.0
81.07054	17.7
82.03735	0.7
83.04987	5.0
83.08619	12.4
85.06519	1.0
89.03956	0.5
90.04719	0.5
91.05482	25.2
93.07044	12.1
94.04187	0.6
95.04967	41.6
95.08610	7.3
96.05296	0.5
97.02896	1.8
97.06502	2.2
97.10180	1.1
98.21609	0.4
99.08098	0.9
103.05466	11.2
104.06274	2.3
105.03401	1.6
105.07032	80.5
106.07364	1.3
107.04953	9.1
107.08591	7.9
109.02877	0.5
109.06516	7.2
109.10146	7.2
111.04452	1.8
111.08067	3.9
115.05455	17.2
116.06298	0.6
117.07024	2.1
118.04158	9.0
119.04935	1.9
119.08575	16.3
120.08961	0.5
121.06519	2.8
121.10144	5.0
122.03661	0.9
123.04462	1.4
123.08087	4.1
123.11700	1.3
124.05276	0.4
128.06226	0.9
129.06996	9.0
131.04916	2.9
131.08574	7.7
132.05724	2.0
133.02846	5.9
133.06493	65.5
133.10123	11.1
134.06898	2.0
135.04414	0.5
135.08125	1.1
135.11703	5.6
137.05992	3.6
137.09610	4.6
138.01663	0.4
138.10382	0.5
142.07765	2.2
143.04933	1.1
143.06050	3.4
145.10139	1.2
146.97444	0.7
147.04431	1.2
147.08058	5.1
147.11688	6.8
148.05112	0.5
149.02361	0.6
149.06012	1.4
149.09604	4.3
149.13301	1.0
150.03123	3.9
150.06769	0.9
151.03893	0.7
151.07518	0.8
151.11227	1.7
151.14761	0.8
155.08545	0.5
157.10155	5.5
160.05182	1.0
160.08862	0.6
161.02344	1.4
161.05984	55.6
162.06383	1.5
165.05470	1.2
165.09172	1.2
165.12775	1.5
175.07671	0.6
175.11191	7.4
175.14859	5.7
178.00996	0.8
178.02612	15.1
178.06227	1.3
193.04971	21.8
193.08606	32.5
193.12244	14.4
193.14145	1.0
193.15880	9.8
193.17667	0.8
194.05348	0.7
194.08934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03936	5.3
54.30887	1.6
55.01871	2.1
55.05508	9.8
56.96558	1.9
57.03434	16.2
57.07057	3.2
59.04986	3.6
61.16157	1.6
65.03938	2.8
65.73148	1.6
67.05497	12.9
69.03430	7.4
69.07059	4.9
69.86922	9.5
71.05002	8.1
73.41759	1.5
79.05485	17.1
81.03429	1.7
81.07056	51.0
83.04980	20.5
85.02907	3.5
85.06544	3.5
91.05477	18.3
93.07045	9.1
94.04166	2.5
95.04964	14.1
95.08619	10.6
103.05473	4.5
105.06311	1.9
105.07031	37.8
107.04963	4.2
107.08588	17.9
109.06519	82.0
109.10146	10.9
110.07303	2.8
111.08122	4.0
115.05397	3.5
116.98620	1.9
117.07011	3.4
118.04186	2.3
119.04952	2.3
119.08585	63.4
121.06501	6.2
121.10168	4.4
123.08068	13.1
123.11697	4.5
129.06807	1.5
131.08597	2.9
132.80022	1.5
133.02835	6.2
133.06502	15.8
133.10117	12.9
135.08060	24.0
137.05991	11.9
137.09608	17.9
142.07761	5.7
145.06506	8.5
145.10211	1.6
146.07278	5.1
147.08032	6.9
147.11685	26.2
149.05971	3.3
149.09637	3.1
150.03111	6.3
151.07515	2.7
151.11183	26.1
152.11440	1.9
157.10133	4.6
159.08029	2.0
160.08833	29.5
161.02284	1.6
161.06010	10.9
165.05544	1.6
165.12819	9.2
166.95798	1.4
172.02446	1.9
175.11185	90.6
178.02583	25.8
193.04987	29.2
193.08633	8.0
193.12248	100.0
199.59889	1.6
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
51.02379	0.6
53.03939	1.4
54.99092	0.3
55.01865	4.9
55.05506	4.1
56.96559	1.9
57.03432	2.8
57.07073	1.5
58.17682	0.4
58.41768	0.4
59.04981	0.5
59.23193	0.3
63.99688	0.4
65.03940	1.0
65.63126	0.3
66.04726	1.1
67.05500	5.5
68.99776	0.7
69.03419	2.2
69.07072	1.9
70.06584	0.5
71.04990	1.3
71.35538	0.4
71.35880	0.7
72.36015	0.3
77.03934	1.0
79.05488	16.5
80.05814	0.5
81.03411	4.6
81.04523	0.6
81.07051	10.3
82.06601	0.4
83.04977	3.9
83.08611	1.1
85.02878	0.8
85.06544	1.4
87.04446	0.3
89.03925	0.9
90.04700	1.0
91.05470	13.9
91.15633	0.4
93.03400	0.4
93.07037	5.5
94.04188	1.3
95.04957	7.4
95.06073	0.5
95.08595	4.9
97.06509	0.8
97.07635	0.4
98.97565	0.4
99.08083	2.2
103.05460	16.3
104.06303	1.0
105.03398	1.8
105.07022	100.0
106.07350	2.6
107.04951	2.8
107.06058	0.6
107.08589	5.3
109.02865	0.5
109.06512	14.3
109.07639	0.7
109.10149	6.3
110.07287	0.6
111.04437	0.7
111.08048	1.4
115.05447	19.5
116.56041	0.4
116.98633	0.4
117.07027	0.9
118.04156	10.9
119.04964	2.3
119.08572	15.1
121.06490	2.1
121.10131	2.1
122.03624	1.5
122.07146	0.8
123.04414	1.3
123.08066	3.8
123.11708	1.5
126.82584	0.4
129.06990	1.1
131.04942	4.2
131.08534	1.9
132.05714	2.0
133.02846	7.7
133.06480	86.1
133.10110	15.9
134.06883	1.9
135.04387	0.4
135.08058	4.7
135.11682	2.4
137.05966	4.9
137.09613	6.1
142.07764	0.7
143.04900	1.2
143.06029	4.8
145.06444	1.5
145.10204	0.7
146.03642	0.7
146.07312	1.0
146.97398	0.7
147.04390	3.4
147.08075	2.9
147.11670	7.3
148.05014	0.4
148.07574	0.5
148.08699	1.0
149.02332	0.5
149.05923	1.9
149.09613	1.2
149.13228	0.7
150.03101	4.0
150.10358	0.5
151.03981	1.8
151.04947	0.4
151.07507	1.5
151.11156	6.4
151.14664	0.4
157.10129	1.2
160.05161	0.7
160.08826	3.8
161.02393	1.9
161.05966	86.2
162.06317	2.0
163.07462	0.5
165.05531	2.1
165.06679	0.4
165.09088	1.0
165.12708	1.0
166.09731	0.4
175.03836	0.8
175.07539	1.0
175.11179	14.2
175.14784	4.4
176.03476	0.4
177.00745	0.6
178.01012	0.5
178.02594	13.7
178.06207	1.7
178.96478	0.4
179.03156	0.5
193.04945	22.9
193.08585	20.3
193.10747	0.6
193.12244	17.8
193.14133	0.9
193.15857	5.2
194.05486	0.5
194.12498	0.4
194.15327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03943	1.7
53.33232	0.5
55.01867	4.8
55.05516	7.0
57.03437	1.2
57.07069	3.1
59.04991	0.6
63.52251	0.6
65.03929	1.3
66.04719	1.2
67.05503	9.5
69.03435	3.9
69.04567	0.9
69.07072	5.6
71.04995	2.1
78.04716	0.9
79.05490	15.6
81.03424	3.9
81.07057	11.3
82.06570	0.7
83.04979	6.7
83.08622	3.3
85.06546	1.5
89.03928	1.0
90.04704	1.0
91.05487	12.0
93.07050	8.7
94.04202	1.5
95.04982	7.7
95.08603	14.1
97.06539	2.6
98.97569	0.8
99.04436	0.7
99.08096	1.3
101.69796	0.6
103.05469	16.2
104.06273	4.1
105.03409	2.1
105.07030	100.0
106.07365	1.3
107.04967	2.9
107.08591	12.3
109.02924	0.7
109.06516	7.8
109.10152	15.8
111.08067	2.4
112.07471	0.6
115.05454	19.0
116.98638	0.8
117.07024	1.2
118.04157	9.4
119.04935	2.0
119.08579	15.4
121.06522	1.3
121.10141	6.8
122.03652	1.4
123.04452	1.2
123.08059	8.1
123.11736	1.9
125.09612	1.2
130.04254	0.7
131.04922	4.7
131.08530	0.9
132.05727	4.7
133.02863	9.1
133.06488	82.6
133.10121	15.4
134.06947	1.1
135.04466	0.8
135.08066	2.0
135.11687	14.5
137.05949	4.5
137.09602	7.5
139.03799	0.7
143.04915	1.4
143.06049	5.7
145.10100	0.8
146.97456	1.4
147.04398	4.0
147.08073	2.3
147.11687	7.2
149.02324	1.9
149.06007	3.7
149.09526	0.9
149.13245	3.9
150.03145	4.3
150.06854	1.4
151.03914	1.7
151.07565	1.8
151.11208	2.7
151.14801	1.7
160.05206	2.1
161.02342	2.0
161.05981	64.5
162.06487	1.1
163.03902	0.6
165.05452	2.1
165.06839	0.9
165.09119	2.8
165.12796	0.9
174.79475	0.6
175.07574	1.3
175.11134	2.2
175.14827	11.0
176.03438	0.6
177.00810	1.0
178.02605	14.8
178.06215	3.8
192.53755	0.7
193.04961	31.0
193.08601	69.0
193.12230	6.6
193.15871	20.3
193.17583	1.0
194.09021	1.3
194.11703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0497
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02393	0.3
53.03948	0.6
54.03468	0.3
55.01877	0.9
55.05511	1.0
56.96576	0.5
57.03443	1.3
57.07075	0.6
59.05001	0.3
61.36554	0.2
62.24229	0.2
65.03945	0.6
66.04733	0.6
67.05495	1.1
68.99779	0.4
69.03425	0.8
69.07079	0.5
69.42120	0.5
69.42525	1.5
71.04994	0.5
75.35009	0.2
77.03941	0.7
78.04726	0.2
79.05494	2.9
81.03426	0.7
81.07054	4.4
83.04983	1.5
84.08146	0.3
85.02900	0.3
85.06573	0.3
89.03909	1.0
91.05486	3.9
93.07024	1.3
94.04198	1.0
94.06560	0.2
95.04984	2.1
95.06081	0.3
95.08612	1.1
97.02930	0.2
97.06553	0.4
98.97589	0.4
103.05470	2.1
104.06237	0.3
105.03388	2.1
105.04529	0.2
105.07031	12.9
107.04957	0.7
107.08606	1.9
109.06516	6.8
109.07668	0.4
109.10149	1.4
110.07278	0.3
111.08085	0.7
111.09167	0.2
115.05438	2.4
116.98641	0.3
117.03394	0.6
117.07047	0.2
118.04176	1.3
119.04939	0.8
119.08580	5.2
121.02879	0.2
121.06496	0.7
121.10139	0.5
122.03647	6.0
122.07215	0.3
123.04475	0.3
123.08046	1.7
123.11713	0.8
125.05978	0.2
129.07031	0.3
131.04936	0.6
131.08575	0.4
132.05692	0.4
133.02853	41.8
133.06491	8.8
133.10115	2.0
134.03363	0.4
134.07115	0.3
134.99672	0.2
135.04396	0.4
135.08040	1.7
135.11699	0.3
136.18990	0.3
137.05980	12.3
137.09587	1.3
138.06462	0.3
140.68864	0.2
142.07767	0.4
143.06053	0.8
145.06473	0.6
146.07248	0.4
146.97490	0.4
147.04381	1.1
147.08028	1.4
147.11690	2.5
148.08745	0.4
149.02370	0.3
149.05978	3.2
149.09631	0.4
150.03122	5.8
150.04245	0.4
150.10239	0.3
151.03883	0.7
151.07550	0.4
151.11176	2.2
157.10155	0.5
160.08853	1.9
161.02351	1.7
161.05978	9.3
165.05478	4.5
165.09090	0.5
165.12799	0.4
175.03902	0.6
175.07614	0.5
175.11166	6.1
175.14804	0.4
176.03377	0.3
178.02611	29.7
178.06026	0.6
179.02962	0.5
193.04961	100.0
193.08545	5.5
193.12225	7.0
193.15894	0.8
194.05347	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.05517	6.3
56.99152	1.3
57.07061	2.7
67.05512	6.9
69.03430	17.1
69.07066	7.6
69.85978	7.4
72.75750	1.1
73.00317	1.3
79.05491	14.2
81.07056	11.3
83.04973	5.2
83.08603	2.9
91.05476	12.7
93.07027	13.8
95.04951	3.6
95.08606	10.1
97.06534	2.5
98.20886	1.6
103.05459	4.0
105.07026	20.0
107.04964	8.4
107.08589	32.6
109.06509	3.9
109.10146	12.7
115.05405	1.6
117.06973	3.1
118.07857	1.5
119.08589	9.3
121.06507	5.4
121.10136	23.9
122.07307	3.4
123.08042	5.2
126.62559	1.3
128.06178	1.3
129.07025	2.6
130.04115	1.7
131.04933	1.8
131.08572	16.3
133.10127	100.0
135.08072	11.1
135.11676	5.4
137.09622	9.0
143.08549	5.7
145.10136	9.9
147.11665	9.6
148.04813	1.2
149.09641	9.1
149.13271	14.2
158.10892	8.1
163.11131	1.8
163.14813	5.1
173.13269	24.8
176.04597	1.6
191.06833	4.9
191.10622	1.4
191.14301	41.9
205.07059	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.13535	1.0
50.92466	1.0
53.03928	1.3
54.35139	0.9
54.35585	0.8
55.05513	15.6
57.07062	4.2
61.91487	1.1
61.94697	1.0
67.05183	1.2
67.05511	15.8
69.03416	1.1
69.07072	44.0
69.71693	6.3
79.05495	15.7
81.07063	17.8
83.08623	13.0
90.38322	1.0
91.05472	11.1
93.07047	53.1
95.04946	1.9
95.08610	79.6
96.08965	1.3
97.10178	8.8
103.05453	1.1
105.07032	7.2
107.04935	1.1
107.08598	60.4
109.06466	2.4
109.10162	38.4
111.08148	0.9
111.11712	1.9
117.07014	1.4
119.08595	5.3
121.06548	2.0
121.10149	76.9
123.08070	1.0
123.11709	6.5
131.08542	3.8
133.10132	4.2
135.08067	2.8
135.11699	60.3
136.12032	1.1
145.10147	2.6
147.11696	4.2
149.09612	3.5
149.13277	15.7
150.33920	0.9
163.14850	1.9
173.09665	1.3
173.13271	4.0
191.10664	4.0
191.14365	10.3
191.17955	100.0
192.18349	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03946	1.9
55.01877	1.3
55.05513	4.8
56.96567	1.1
57.03436	1.9
57.07073	1.4
65.03940	1.1
67.05502	6.0
68.07967	0.5
68.99765	0.5
69.03430	19.0
69.07063	6.4
71.05001	1.0
71.09988	1.4
74.30470	0.6
75.54037	0.5
76.34266	0.6
77.03920	0.7
79.05497	13.2
81.03421	1.0
81.07056	12.3
83.04984	5.2
83.08628	2.4
83.89795	0.5
85.06546	0.9
91.05480	10.9
93.07045	11.6
95.04991	2.9
95.08611	7.4
97.06545	1.8
103.05485	3.9
103.53293	0.6
105.07034	17.9
105.07688	1.2
107.04955	6.1
107.08598	31.2
107.48634	0.5
109.06513	4.2
109.10160	10.4
115.05486	1.3
116.06339	0.6
117.06998	2.9
118.04153	1.3
118.07832	1.4
119.08585	8.1
121.06519	5.8
121.10149	20.4
122.07263	2.2
122.10398	0.7
123.08057	4.2
129.07004	2.6
130.07835	0.9
131.04936	1.7
131.08575	13.6
133.10135	100.0
134.10565	0.7
135.08070	7.9
135.11687	7.0
137.09621	13.4
143.08556	3.1
144.09332	1.3
145.10118	9.7
147.08095	0.8
147.11693	7.4
148.05215	1.4
149.05952	0.6
149.09616	6.1
149.13264	13.9
158.10927	7.4
161.09621	1.3
163.07544	2.9
163.11246	1.4
163.14844	4.4
173.13263	28.7
174.13606	1.0
176.11942	0.8
191.07060	3.8
191.10675	2.3
191.14317	46.7
192.14572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03943	2.0
55.01880	1.2
55.05513	7.7
57.03427	2.1
57.07070	2.7
65.03930	1.4
67.05502	13.0
69.03087	1.3
69.03432	17.8
69.07069	10.6
71.04990	4.6
74.37296	0.7
79.05499	14.4
81.03411	1.2
81.07055	16.3
83.04993	6.0
83.08604	2.9
85.06533	2.4
91.05481	17.7
93.07042	17.6
95.04967	9.0
95.08607	12.1
97.06534	3.9
98.20770	2.6
103.05470	8.0
105.07032	29.2
107.04958	7.5
107.08595	46.1
109.06508	8.5
109.10157	25.4
111.08080	1.4
115.05459	2.9
117.07015	5.9
118.04174	2.0
119.04956	0.9
119.08585	14.6
121.06501	11.1
121.10143	36.4
122.07290	1.7
123.08072	9.6
128.06158	1.1
129.07008	3.8
130.04135	1.2
130.07755	1.2
131.04892	4.4
131.08566	24.4
133.02852	0.9
133.06467	1.5
133.10129	100.0
134.10477	2.1
135.08052	21.1
135.08943	0.8
135.11690	9.0
137.09621	11.4
143.08585	6.5
144.09341	2.0
145.10124	12.0
147.08070	1.6
147.11676	12.5
148.05225	4.4
148.08813	1.1
149.09628	14.3
149.13268	19.1
158.10902	10.3
160.97412	0.8
161.09641	1.6
163.07550	5.6
163.11159	1.6
163.14806	6.5
173.05939	1.5
173.09802	1.0
173.13263	37.7
176.04691	2.3
188.79752	0.9
191.07051	8.1
191.10725	7.7
191.14308	69.4
191.17958	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	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
53.03935	2.2
55.01862	3.3
55.05511	10.9
57.03434	1.4
57.07069	3.5
58.00127	0.9
65.03919	1.2
66.54637	0.9
67.05508	9.8
69.03425	11.5
69.06715	1.4
69.07066	14.0
71.04984	3.8
71.21912	1.5
71.22250	2.0
79.05492	15.1
81.07063	22.7
83.04980	12.8
83.08620	5.7
84.74444	0.9
85.06527	4.0
89.41909	0.9
90.96222	0.9
91.05479	22.8
93.06477	1.8
93.07047	34.8
95.04959	7.9
95.08607	31.2
97.06534	11.7
103.05466	2.6
105.07031	34.8
107.04958	19.6
107.08592	70.8
108.05805	1.3
108.08893	1.2
109.06529	22.7
109.10166	8.5
111.08090	8.3
117.07038	5.3
119.08579	20.9
121.06509	47.7
121.10143	54.9
123.08062	19.9
123.11698	1.8
129.07008	3.0
130.07765	1.5
131.04945	1.1
131.08569	37.8
133.06540	1.4
133.10132	35.3
135.08058	29.8
135.11664	8.0
137.09599	1.6
143.08546	6.1
144.09344	2.7
145.10138	19.6
147.11688	23.4
148.08844	2.0
149.09624	34.7
149.13249	16.5
158.10934	10.5
163.07515	1.3
163.11188	6.7
163.14821	16.3
173.09663	1.4
173.13269	49.6
176.11972	2.3
191.06998	1.6
191.10670	3.4
191.14308	100.0
192.14621	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01860	2.1
55.05503	10.9
57.03433	1.4
67.05505	8.6
69.03423	11.6
69.07061	13.1
70.16809	7.2
71.04981	4.2
79.05495	17.9
81.07060	20.6
83.04985	11.0
83.08622	5.5
85.06525	5.0
91.05482	25.1
93.07043	32.8
95.04987	7.1
95.08609	30.1
97.06519	11.2
98.20761	1.7
103.05481	3.3
105.07028	35.0
107.04965	18.6
107.08597	68.4
109.06512	18.9
109.10157	7.2
111.08073	6.4
115.05404	1.8
117.07005	5.4
119.08579	16.7
121.05653	2.8
121.06510	47.3
121.10143	53.8
123.08076	22.2
129.07021	2.2
131.08569	41.3
133.10136	33.0
134.10521	1.5
135.08060	28.5
135.11720	8.5
143.08557	5.3
144.09360	2.1
145.10118	19.1
147.11687	21.3
148.08823	1.9
149.09616	32.8
149.13255	18.6
158.10918	8.8
163.11172	7.4
163.14825	13.5
173.13274	45.2
191.07088	2.9
191.14308	100.0
192.14624	2.2
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
53.03947	3.2
55.01854	3.8
55.05509	10.3
57.03423	2.2
57.07084	2.7
65.03931	2.0
67.05505	11.5
69.03444	12.0
69.07069	15.2
69.67942	8.1
71.04993	5.9
76.50270	1.4
77.03947	1.6
79.05055	1.9
79.05487	17.0
81.07056	22.5
83.04984	13.1
83.08613	5.0
85.06535	4.8
91.05476	24.9
93.07044	33.7
95.04978	8.3
95.08602	25.9
97.06528	12.7
98.20805	2.9
103.05470	8.8
105.07034	46.7
107.04957	12.3
107.08600	68.1
109.06522	18.9
109.10140	9.1
111.08104	6.1
115.05416	2.2
117.07003	10.0
118.04166	1.9
119.08592	21.7
121.05672	2.0
121.06506	29.6
121.10147	49.1
123.08070	15.2
123.11709	1.5
129.07008	4.0
130.04178	1.4
130.07785	2.8
131.04910	5.1
131.05826	1.5
131.08569	47.7
133.02766	1.4
133.10135	65.6
135.08060	28.6
135.08920	0.8
135.11670	8.8
143.08537	6.5
144.09352	5.0
145.06491	1.6
145.10123	22.0
147.08051	2.1
147.11687	24.1
148.05188	5.1
148.08777	1.6
149.09630	27.0
149.13268	20.7
158.10895	11.1
161.09677	1.6
163.07581	6.4
163.11212	6.6
163.14839	13.7
173.05974	1.5
173.09708	1.8
173.13269	59.8
176.11996	1.4
191.07106	7.7
191.10747	6.4
191.14310	100.0
192.14665	1.6
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01862	3.0
55.05496	10.6
57.03436	2.6
67.05486	9.0
69.03437	12.1
69.07068	18.3
69.87160	2.1
71.04987	2.6
71.33808	4.9
79.05499	15.4
81.07048	26.1
83.04991	15.2
83.08605	4.3
85.06513	4.8
91.05495	20.5
93.07035	30.8
95.04981	9.5
95.08606	31.1
97.06533	11.5
103.05457	2.6
105.07040	35.4
107.04955	22.5
107.08594	74.9
109.06512	20.8
109.10118	8.1
111.08088	6.2
117.06983	4.4
118.04234	2.2
118.82320	2.1
119.08599	18.2
121.06521	46.6
121.09322	4.9
121.10142	64.0
123.08077	23.4
129.07022	3.7
131.04816	2.4
131.08583	34.3
133.10143	30.5
135.08057	31.6
135.11690	6.6
143.08588	4.2
145.10133	19.6
147.11674	23.4
148.05151	2.3
149.09631	40.2
149.13295	16.8
158.10895	9.3
160.83530	2.8
163.07474	3.3
163.11191	7.9
163.14813	18.8
165.76344	2.2
173.13260	51.5
180.36058	2.4
183.60594	2.3
191.14313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.05508	6.1
56.96547	1.3
57.03417	2.3
57.07059	1.7
67.05499	7.9
69.03428	25.2
69.07062	8.6
69.86021	0.9
70.02107	1.6
70.02511	3.0
71.04977	2.3
71.47431	0.8
79.05495	15.1
81.07062	13.4
83.04966	5.8
83.08614	3.1
85.06535	2.8
91.05480	13.1
93.07043	14.6
95.04992	4.7
95.08604	10.6
97.06528	2.7
98.20832	1.1
102.04008	1.1
102.04657	1.0
103.05458	9.1
105.06312	1.0
105.07027	22.8
107.04955	6.0
107.08598	37.8
109.06521	6.3
109.10154	16.6
111.04407	1.1
111.08111	1.1
115.05462	2.4
116.06231	1.4
117.06991	5.1
118.04142	2.4
119.04937	1.7
119.08583	12.5
121.06515	7.0
121.10141	28.5
122.07269	1.6
123.08065	5.7
129.07014	2.4
130.04153	2.1
130.07780	1.7
131.04936	5.2
131.08554	19.3
133.02798	1.1
133.10132	100.0
134.10457	1.8
134.14497	0.9
135.07111	1.3
135.08058	15.8
135.11705	8.7
137.09615	10.1
143.08557	5.8
144.09328	2.1
145.06479	1.3
145.10130	14.0
147.08076	1.6
147.11693	9.2
148.05180	4.1
149.09613	9.5
149.13252	15.6
158.10887	10.9
163.07545	6.9
163.11223	3.4
163.14796	5.8
173.06013	1.5
173.09605	1.7
173.11758	1.8
173.13263	35.8
176.04663	2.9
176.08322	1.2
191.03357	1.1
191.06985	4.7
191.10707	8.1
191.14308	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01865	3.3
55.05509	10.9
57.03436	2.4
57.07074	1.7
65.03934	1.6
67.05501	7.3
69.03423	11.3
69.07060	10.7
69.29786	4.1
69.30218	6.5
71.04973	5.6
79.05500	13.5
81.07060	24.2
83.04984	13.4
83.08614	5.1
85.06537	5.3
91.05477	19.4
93.06485	1.9
93.07047	31.8
95.04959	8.3
95.08604	34.1
97.06528	12.1
97.10139	1.3
98.20706	2.5
102.15296	1.0
103.05452	4.1
105.07037	33.3
107.04967	19.4
107.08595	68.8
109.06519	20.4
109.10157	6.7
111.08086	8.9
116.06252	1.4
117.07008	5.1
119.08587	16.2
121.06509	46.5
121.10148	63.8
122.10484	1.3
123.08077	21.3
123.11661	1.3
129.06958	2.4
130.07782	1.2
131.04936	1.3
131.08577	35.9
133.06557	1.2
133.10133	34.4
135.08064	26.9
135.11710	9.1
139.11320	1.1
143.08568	3.6
144.09299	1.2
145.10126	18.5
147.08012	1.3
147.11690	24.2
148.08826	2.6
149.08403	2.2
149.09624	38.1
149.13258	20.1
158.10934	7.7
163.11221	6.0
163.14819	19.2
173.13274	53.6
176.11934	1.1
191.07010	1.4
191.14313	100.0
192.14679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
65.54073	0.2
65.54422	0.2
67.05508	0.3
69.03425	0.4
69.07056	0.2
69.96910	0.9
72.99586	0.2
79.05493	0.8
81.07066	0.7
83.04991	0.2
84.04514	0.2
85.04839	0.2
91.05478	0.7
93.07033	0.5
95.04937	0.3
95.08607	0.2
98.21433	0.3
103.05448	0.3
105.07047	0.9
107.04970	0.6
107.08608	1.2
109.06461	0.2
109.10139	0.3
117.07024	0.3
118.04191	0.2
119.08581	0.5
120.08106	0.3
121.06511	0.4
121.10164	0.4
123.08047	0.2
131.04921	0.3
131.07341	0.2
131.08583	0.6
132.08093	26.5
133.08835	0.9
133.10039	1.0
135.08069	0.6
135.11732	0.2
137.09604	0.2
144.08124	0.4
145.10132	0.3
146.09657	9.7
147.10446	3.0
147.11592	0.3
148.05257	0.3
148.11261	0.8
149.09586	0.2
149.13312	0.3
150.09036	0.2
160.11221	9.6
161.11978	0.8
163.07521	0.2
173.09647	0.3
173.13280	0.5
174.12772	1.2
175.13580	0.4
176.04800	0.3
183.61055	0.1
188.14261	0.2
190.04524	0.3
190.06264	0.4
190.15910	100.0
191.03474	0.3
191.07031	0.6
191.10696	0.5
191.14326	1.1
191.16251	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01871	1.1
55.05507	3.0
56.05023	2.3
56.12381	0.5
56.96561	10.7
57.03429	2.9
57.07072	0.6
58.06599	32.1
59.04982	1.4
60.04525	1.2
61.02923	0.8
65.03920	0.6
67.05495	2.2
69.03421	4.1
69.07068	22.3
70.06593	9.3
71.01340	0.6
71.04977	2.2
71.58651	0.7
72.04497	0.5
72.08140	2.4
72.93782	1.1
73.02903	1.9
73.06532	0.8
74.06075	0.9
74.97579	0.8
76.07617	1.5
79.05469	0.9
81.03412	1.2
81.07035	1.2
82.06559	1.1
83.04971	1.1
84.04504	2.5
84.08147	6.3
84.96006	0.6
85.02901	3.1
85.06554	0.7
86.06077	3.9
86.09706	14.9
87.04468	0.8
87.05519	0.6
87.10038	6.0
88.03976	1.3
90.94807	1.2
91.05475	1.7
93.07025	0.9
94.06578	0.7
95.04987	1.2
95.06124	0.6
97.02892	2.8
97.07674	0.7
98.06026	0.9
98.09698	1.2
98.97592	4.1
99.04473	1.1
99.05550	0.8
100.99110	0.6
102.05547	1.0
104.07088	0.9
105.07027	1.0
107.04945	0.9
107.08531	0.8
109.02871	1.0
109.07621	0.6
109.10190	1.0
110.01324	0.6
110.06021	1.1
110.07173	1.3
110.97572	1.0
111.04501	1.0
112.07603	0.6
116.07113	1.5
116.98615	4.3
118.04924	0.7
119.00208	1.3
119.01868	1.4
119.08562	1.0
120.05626	0.6
120.08078	0.9
120.08876	0.6
121.02847	0.6
121.06500	1.1
122.09580	0.6
126.05511	0.7
126.09155	0.7
126.12791	29.7
127.03927	0.6
128.02324	1.7
128.07089	1.4
128.98628	1.6
130.04987	1.1
130.08684	0.9
131.00163	1.3
131.04916	1.3
131.97502	0.8
134.99644	3.6
135.04411	0.6
135.08115	0.6
144.06609	0.8
144.10222	2.6
144.13832	100.0
145.06451	0.7
145.14160	1.8
146.05969	1.4
146.99658	2.5
147.04375	0.9
148.08521	0.7
148.97363	0.9
149.01221	8.5
149.09598	1.2
150.96899	0.6
153.00658	0.8
154.08598	1.6
155.04741	1.0
157.09631	0.8
158.12907	0.6
158.99785	0.9
161.01277	0.8
162.05467	3.9
162.09117	0.8
163.03917	0.7
163.07503	0.6
167.02281	4.5
167.97157	0.8
172.06123	0.6
172.09708	2.2
172.13312	2.7
177.00821	0.8
189.00702	1.2
190.04884	3.8
190.07274	1.6
190.10774	2.1
190.14415	14.6
190.15997	1.2
191.02094	0.8
191.03592	0.9
191.06973	1.0
191.08525	0.9
191.14368	2.4
201.00713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
53.03970	0.5
55.01867	0.5
56.96566	9.1
57.03453	0.8
58.06608	0.5
59.06140	0.5
61.02942	0.7
65.03950	0.8
69.03429	2.4
69.07089	0.4
71.59499	0.6
72.93806	0.5
73.02898	0.9
79.05508	0.6
81.03427	1.1
81.04568	0.3
84.08141	0.5
84.96040	0.4
85.02905	3.2
87.04488	0.6
89.03937	1.4
90.05573	1.0
90.94823	0.4
91.05503	0.6
93.07043	0.4
94.67583	0.4
95.04977	0.6
95.06088	0.5
97.02885	3.8
98.97592	1.3
103.05504	0.5
106.07338	0.4
107.04961	0.4
109.02954	0.5
110.07185	0.4
111.04497	0.5
114.06707	0.4
115.14991	0.4
116.04987	3.2
116.98627	1.4
120.05614	0.4
120.08138	0.4
121.02866	9.8
121.06542	0.3
122.16255	0.3
127.03915	1.2
128.98639	1.0
129.06679	0.5
131.04970	0.6
131.97429	0.5
134.06013	0.9
134.99657	2.5
135.04395	0.4
137.06004	0.4
137.17886	0.4
143.00232	0.6
144.04413	0.6
145.06552	0.7
146.99657	1.3
147.04388	0.5
148.97345	1.3
149.01248	1.2
149.09608	0.6
150.02533	0.4
161.01216	0.7
162.05502	100.0
163.03964	0.5
163.05855	2.3
165.00725	0.6
166.00221	0.7
167.97173	0.8
169.01794	1.1
172.03951	0.7
172.07484	0.4
177.00754	0.7
187.02808	2.5
188.03317	0.6
189.00652	0.4
190.04984	29.9
190.08507	1.3
190.12199	0.5
190.13341	0.4
191.03564	0.6
191.05357	1.1
191.07013	0.6
194.99641	1.0
201.00684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	1.3
56.96564	0.3
57.07076	0.2
60.08165	22.4
67.05507	3.2
67.54295	0.2
68.25347	0.2
69.07053	0.3
69.73814	1.3
70.06586	0.7
73.26791	0.2
73.62390	0.2
74.02444	0.4
74.07192	0.3
84.08144	100.0
85.06555	1.0
85.08474	0.8
86.09699	0.7
97.26708	0.2
98.21482	0.3
98.97600	0.2
100.20684	0.2
101.00833	0.2
102.09203	0.3
102.64838	0.2
119.01940	0.8
130.08640	31.7
131.03699	0.2
137.02879	0.5
144.13829	2.8
161.02986	0.2
169.42946	0.2
172.05617	0.2
177.04144	0.4
189.15988	11.9
191.64928	0.2
200.31453	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.3
55.05494	4.3
56.96541	3.4
60.02429	1.1
67.05495	12.3
69.03400	1.9
69.07047	4.0
71.60896	1.3
79.05052	1.7
79.05488	15.6
81.07056	10.8
83.04975	2.2
83.08638	1.3
91.05480	51.2
93.07037	12.7
95.04944	4.9
95.08607	6.5
97.06533	1.7
103.05444	1.7
105.07031	38.4
107.04949	2.9
107.08556	5.4
109.06458	1.4
115.05434	3.9
117.07027	12.5
119.05004	1.5
119.08582	23.9
121.06504	3.9
121.10139	1.4
124.97611	2.6
128.06198	7.8
129.06999	31.0
130.07817	3.0
131.08577	6.5
133.06508	3.6
133.09245	1.5
133.10139	20.5
135.08032	1.6
141.06941	2.4
142.07759	1.6
142.98650	2.7
143.08543	17.7
145.06458	1.5
145.10120	28.7
146.16321	1.1
147.08038	10.4
147.11682	13.0
156.09352	11.8
159.08057	3.2
159.11658	2.1
161.05962	2.1
161.09604	4.2
161.13255	14.6
171.10251	2.7
171.11693	50.3
174.06691	2.5
174.10402	4.7
189.05502	3.0
189.09116	9.5
189.12732	100.0
190.13028	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03940	1.2
55.01874	7.7
55.05504	4.0
56.50455	0.8
56.96546	1.3
64.38398	0.7
65.03931	2.2
67.05191	0.8
67.05508	13.9
69.03430	1.5
69.07064	5.4
69.64369	5.5
70.48990	0.8
71.04979	0.8
77.03925	1.2
78.19313	0.7
79.05492	17.5
80.50490	0.9
81.07055	11.3
83.04971	1.8
85.06554	1.3
91.05481	81.2
92.05792	1.7
93.07033	9.2
95.04967	5.0
95.08601	4.2
97.06550	4.1
103.05480	2.2
105.07033	34.8
107.04952	4.2
107.08574	3.7
109.06518	1.9
111.08054	1.0
115.05481	2.4
116.06271	1.1
117.07017	11.7
119.08577	16.8
121.06516	4.7
121.10158	1.6
123.08054	1.4
124.97566	1.1
128.06204	6.5
129.07010	34.1
130.07750	2.9
131.08553	5.7
133.06470	2.7
133.10135	16.3
135.08061	1.4
141.07013	1.7
142.07828	1.3
142.98653	1.4
143.08571	19.6
145.06467	1.0
145.10126	25.4
147.08031	8.6
147.11688	13.5
150.06238	0.8
156.09354	8.7
159.08073	0.9
159.11682	2.3
161.09599	5.5
161.13261	13.1
169.10025	1.0
171.05556	0.8
171.11693	56.7
172.12003	1.8
174.10442	2.3
183.23686	0.9
189.09146	2.7
189.12737	100.0
189.16368	2.3
190.13065	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
54.32641	0.7
55.05494	3.3
63.27330	0.7
67.05479	2.6
69.03426	7.3
69.07056	1.5
69.67140	3.5
79.05505	3.1
81.03399	0.6
81.07053	1.8
83.04956	1.9
91.05476	8.5
93.07049	3.3
95.04954	2.1
95.08580	1.1
103.05407	0.7
105.07027	19.7
107.08615	4.1
109.06532	1.3
115.05428	1.2
116.06248	0.8
117.07003	3.8
119.04960	1.0
119.08577	37.1
120.08913	0.7
121.06461	1.4
121.10136	2.4
128.06209	2.9
129.07018	4.1
130.07788	2.4
131.08568	9.1
132.05621	1.1
132.09308	0.6
133.06490	4.0
133.10127	13.1
135.08069	4.5
141.06969	6.6
143.08546	5.7
144.09331	1.4
145.06477	3.2
145.10109	8.8
146.07239	0.8
146.10851	1.6
147.08041	15.4
147.11682	17.7
149.09599	0.6
155.08499	1.3
156.09341	34.7
157.09708	1.4
159.08051	15.1
159.10631	0.6
159.11687	7.2
160.08846	5.1
161.06009	1.0
161.09622	7.6
161.11963	1.2
161.13246	18.3
171.11678	39.1
172.12057	1.3
173.09587	0.8
174.02048	0.6
174.10397	24.2
175.10683	0.7
189.12735	100.0
190.13103	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05500	2.9
56.05017	0.6
65.03945	0.7
67.05489	2.7
67.22897	0.6
69.03423	5.5
69.07054	1.9
69.68544	2.1
69.68983	2.3
79.05476	2.6
79.86713	0.6
81.07031	2.4
83.04973	1.1
84.13142	0.7
85.02877	1.0
91.05479	9.1
93.07031	2.7
95.04958	2.0
95.08602	1.3
96.78588	0.7
102.04681	1.3
103.05469	1.6
104.06199	0.7
105.07030	23.4
107.05961	0.6
107.08603	3.8
109.06506	1.5
114.01224	0.6
115.05453	2.5
116.06229	1.4
117.07014	4.9
119.04935	2.5
119.08577	33.1
120.08918	0.8
121.06501	1.7
121.10147	2.1
128.06203	5.3
129.06992	4.8
130.07784	4.0
131.04910	1.8
131.08580	9.0
132.05704	1.8
133.06493	4.9
133.10129	12.7
135.07999	1.8
141.06967	8.1
143.04906	0.7
143.08557	8.2
144.09329	1.8
145.06483	3.0
145.10118	14.0
146.07236	1.7
146.10861	1.8
147.04398	9.2
147.08034	11.8
147.10493	1.2
147.11682	24.6
155.08508	2.6
156.09340	42.1
157.09764	0.7
159.08052	12.4
159.11696	9.9
160.05203	3.6
160.08827	4.2
161.05943	6.2
161.09621	8.5
161.13252	13.8
171.11684	47.3
172.12061	1.8
173.09555	1.2
174.06754	1.8
174.10402	22.9
175.03915	5.1
189.05449	1.8
189.09138	7.3
189.12735	100.0
189.16351	2.7
190.04649	1.4
190.06250	18.4
190.13074	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01869	1.8
55.05506	6.2
57.03423	1.8
57.07070	1.3
57.10015	1.1
57.52635	1.3
65.48695	1.1
65.60006	1.2
67.05499	4.5
69.03434	23.3
69.07059	5.2
79.05490	9.9
81.07060	7.1
83.04981	3.6
85.02895	4.3
87.00827	2.0
90.99184	1.1
91.04963	2.0
91.05486	22.8
92.07991	1.1
93.07042	11.3
95.04943	4.9
95.08605	5.2
97.06532	1.4
98.20747	2.2
103.05470	1.7
105.07032	50.3
107.08601	9.4
109.06517	3.6
115.05454	7.1
117.07029	8.8
119.04939	16.1
119.05843	1.5
119.08578	71.3
121.06479	3.9
121.10136	3.0
123.08088	1.5
128.06235	10.9
129.07011	13.0
130.07829	1.5
131.04927	2.2
131.08586	14.9
133.06505	11.4
133.10136	26.3
135.08049	8.7
141.06989	6.0
142.07770	3.5
143.04980	1.8
143.08568	20.0
144.09021	1.8
145.06471	4.9
145.10118	12.7
146.07280	3.4
146.10838	2.3
147.08049	30.7
147.11682	39.4
156.09352	37.0
157.06458	2.7
157.09615	1.6
159.08066	10.5
159.11723	7.3
160.05183	2.9
160.08835	5.9
161.05972	9.7
161.09619	14.7
161.13258	35.5
161.14604	1.8
162.13486	1.2
171.11696	41.5
172.08905	1.4
174.06750	7.5
174.10391	17.9
189.05495	6.7
189.09111	16.6
189.12744	100.0
189.16386	5.6
190.13087	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01870	1.0
55.05514	4.9
55.32394	0.6
57.03423	0.7
59.04989	1.7
65.03928	1.2
65.40916	0.6
66.67627	0.5
67.05511	3.5
69.03433	10.8
69.07082	3.5
69.26852	1.7
69.27262	4.8
70.03754	0.6
77.03921	0.7
79.05500	5.3
81.07060	5.2
83.04990	3.4
83.08595	0.8
84.04480	0.7
86.09740	0.8
91.05481	13.7
92.53051	0.5
93.07047	5.2
95.04973	3.1
95.08611	1.6
97.06557	1.3
103.05453	1.5
105.07035	43.2
107.04969	1.5
107.08604	6.3
109.06512	2.6
115.05451	3.4
117.07030	5.5
119.04956	7.9
119.08587	52.3
120.08907	0.9
121.06519	4.1
121.10143	2.7
128.06232	6.9
129.07007	6.1
130.07771	1.6
131.04929	0.7
131.08580	8.9
132.05711	1.4
132.09294	1.0
133.06496	7.1
133.09109	1.1
133.10132	21.4
135.08046	10.2
141.06989	5.7
142.07747	2.3
143.04822	0.8
143.08572	15.1
145.06459	3.9
145.10133	12.5
146.07268	2.4
146.10849	1.0
147.04457	0.7
147.08054	24.2
147.11693	30.8
149.09532	1.1
155.08557	1.5
156.09354	37.5
157.06529	1.4
157.09779	1.2
159.08072	13.8
159.11678	6.6
160.05185	1.5
160.08870	6.7
161.05991	3.1
161.09633	11.2
161.13257	24.5
171.03073	0.6
171.11700	41.1
172.12068	1.3
173.09579	0.8
174.06776	1.9
174.10414	23.6
189.05394	1.3
189.09213	5.6
189.12747	100.0
190.06256	1.2
190.13023	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
54.18557	0.4
70.65829	1.2
72.37186	0.4
74.87240	0.4
78.34599	0.5
91.05476	4.7
98.30895	0.4
103.05455	0.7
105.66402	0.5
115.05456	4.8
115.48894	0.4
117.05742	1.4
117.07014	4.2
118.06541	63.9
119.06909	0.9
132.08151	0.6
142.06543	5.9
143.07298	10.0
144.04457	0.6
144.08092	24.4
145.06494	0.7
145.08382	0.7
146.06007	100.0
147.06339	1.3
155.05977	0.6
160.07600	1.1
170.06004	8.4
188.07059	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63254	0.3
71.58916	0.6
76.23417	0.3
84.04503	0.5
91.05476	3.2
103.05492	0.5
115.05441	4.2
117.05769	1.1
117.07018	4.7
118.06541	61.7
119.06876	0.9
132.08116	0.4
142.06509	4.6
143.07315	10.0
144.04417	0.6
144.08084	24.1
145.06526	0.8
145.08408	0.6
146.06007	100.0
147.06349	2.1
155.05980	0.5
159.11607	0.3
160.07617	1.0
170.06012	8.8
171.06351	0.3
179.20969	0.3
188.07056	19.0
189.07458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
53.03925	0.4
54.45915	0.4
55.05507	0.9
56.05042	1.9
56.70985	0.4
57.03421	1.3
59.05004	2.8
60.04519	1.2
61.02928	9.3
68.05031	0.4
69.03436	0.8
70.02969	2.4
70.94882	0.6
70.95201	0.6
71.04985	1.4
72.04512	0.5
72.08143	0.8
74.06075	0.5
75.04484	0.7
82.06580	3.1
83.04991	3.8
84.04505	100.0
85.02905	19.1
85.04842	0.9
86.06080	0.9
87.04468	5.3
87.36896	0.4
91.05465	0.7
98.06067	0.6
100.07613	1.6
105.07011	0.7
106.59864	0.4
110.06042	3.5
111.04464	1.3
118.06567	0.5
119.08576	0.8
124.07608	0.5
126.05508	4.5
128.07094	5.6
129.05492	1.1
129.06996	0.8
131.08615	0.7
145.10133	0.5
146.08148	1.2
146.10500	0.6
157.06430	0.4
160.08510	0.4
170.08165	1.2
171.11647	0.4
174.06754	0.4
188.07747	1.0
188.09239	7.9
188.10941	0.6
188.15150	0.6
189.05528	0.5
189.09158	1.3
189.12804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03941	3.8
55.01880	1.7
55.05501	4.9
56.96563	10.6
57.07074	4.2
65.03923	1.8
65.54887	1.2
67.05212	1.2
67.05510	12.1
69.00359	1.4
69.03419	2.9
69.07056	5.2
69.79612	7.5
71.01395	1.2
71.95248	1.3
77.98782	1.2
78.48911	1.1
79.05503	8.6
81.03423	7.1
81.07064	8.0
83.08626	2.8
84.04493	4.0
85.02908	2.2
86.06067	1.6
88.02226	8.0
91.04967	2.1
91.05488	22.5
93.07056	7.3
95.04960	5.1
95.08623	2.6
103.05479	2.9
105.07042	33.5
107.04962	6.2
107.08616	3.1
109.06510	2.2
113.00043	1.7
115.05465	10.7
116.06281	1.7
117.07020	22.1
119.04951	2.2
119.08597	19.5
119.51950	1.5
121.06543	2.2
121.10124	1.6
122.04848	1.3
128.06209	4.5
129.06993	15.8
130.07793	9.6
131.04945	12.6
131.08578	50.8
133.06589	1.3
133.10089	3.1
135.05646	1.4
141.07025	4.9
142.07790	7.0
143.04922	4.1
143.08554	12.3
144.09367	12.3
145.06494	15.0
145.10133	100.0
146.10422	1.8
149.05449	3.0
153.07004	1.5
154.07758	6.2
157.06439	1.5
157.10127	10.8
158.05952	3.1
158.07265	2.6
158.10965	3.1
159.08112	7.7
159.11708	41.4
159.13040	2.0
160.56262	1.7
169.10135	10.2
170.08255	1.7
172.08858	6.1
172.12480	5.5
173.00861	2.1
175.97652	1.3
187.02437	2.1
187.03932	19.2
187.07484	1.9
187.11200	34.2
187.14824	71.0
187.22527	1.5
188.11554	1.3
188.15144	3.6
189.04416	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20552	0.3
53.95743	0.4
54.03470	1.6
55.01868	0.6
56.05046	1.1
57.03430	1.3
67.05486	0.5
68.05006	0.5
69.03420	1.3
70.06602	3.1
71.04134	1.0
72.75499	0.4
79.05496	1.4
79.48786	0.5
80.05029	0.6
81.07060	1.5
82.05307	1.4
82.06588	2.9
83.04979	0.5
83.06108	5.1
84.03538	0.5
84.04496	0.8
84.06875	0.6
84.08168	2.6
87.98878	0.5
91.05479	0.9
93.05779	0.5
94.06597	0.8
95.06100	3.3
96.04514	0.6
96.08134	1.4
98.06065	12.2
100.07655	0.6
106.06567	4.2
108.06896	1.0
108.08123	3.3
109.07648	0.5
110.06048	8.9
110.89282	0.4
111.04495	0.4
113.00027	2.5
113.07131	15.8
116.07068	0.9
118.05661	0.4
122.08432	1.0
123.09197	57.2
124.07587	1.6
124.09573	0.9
125.10759	31.3
128.07072	1.7
133.07622	1.5
134.06004	1.5
141.10213	3.3
142.08609	0.6
151.08673	29.7
152.08994	0.5
154.81358	0.4
169.09731	71.7
170.08084	0.6
170.10063	0.7
182.41136	0.4
187.10789	100.0
188.11140	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	2.2
56.96569	0.3
57.03155	0.5
57.03440	8.5
59.60654	0.3
69.74467	0.6
69.74879	1.3
70.06593	15.7
70.13731	0.4
72.08153	1.0
75.04482	1.8
82.06589	1.3
83.06081	0.6
83.09266	0.3
84.08147	12.8
88.03999	0.4
90.05582	0.4
90.12492	0.3
91.14378	0.3
96.08122	0.4
97.92522	0.3
98.06059	50.5
99.06364	0.4
100.07619	3.0
110.06051	1.0
113.07143	1.9
114.05527	0.9
116.07086	0.4
123.09201	5.7
125.10760	12.8
151.08673	2.8
169.09731	9.9
187.10785	100.0
188.11142	0.8
205.29097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1076
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
54.03474	0.7
54.13468	0.2
55.02496	0.3
56.05041	2.0
57.03436	6.5
58.71442	0.3
66.50641	0.3
68.05048	0.4
69.03445	0.3
69.61326	1.6
70.06592	13.1
72.08166	0.8
75.04487	1.6
79.05490	0.3
80.05002	0.5
81.07067	0.7
82.05333	0.4
82.06576	1.4
83.06099	1.8
84.08142	11.2
84.84518	0.2
86.06076	0.3
88.03996	0.6
90.05550	0.4
91.05490	0.4
94.06550	0.4
95.06093	1.2
96.08128	0.4
98.06055	42.8
98.20816	0.3
99.06390	0.4
100.07625	2.7
100.57467	0.2
106.06585	1.3
108.06862	0.5
108.08121	1.5
110.06032	3.3
113.07124	5.0
114.05532	0.8
122.08414	0.3
123.09191	22.1
124.07592	0.8
124.09557	0.3
125.10757	17.5
126.11115	0.3
128.07103	0.4
133.07629	0.6
141.10234	0.7
151.08659	9.5
157.01599	0.2
169.09724	26.3
170.10088	0.6
187.10779	100.0
188.11133	1.7
198.14378	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	186.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.05506	9.1
56.05031	4.0
57.07080	0.4
65.03941	0.3
67.05501	11.1
69.03465	0.2
69.07063	1.3
70.06586	1.6
70.51842	0.6
72.08156	0.5
74.02436	7.5
75.91095	0.2
79.05474	0.6
81.07050	21.7
82.07375	0.3
84.08139	1.7
85.02912	0.5
85.06574	0.2
89.03958	0.3
91.05482	0.4
94.62586	0.2
95.08580	0.5
97.10163	3.1
98.06046	0.3
108.01471	0.2
114.05520	0.6
117.03378	0.4
121.00775	0.4
121.87270	0.2
123.11699	11.1
126.05483	0.4
139.01788	0.4
140.14331	100.0
141.12724	0.7
141.14656	2.1
145.02824	0.6
151.03790	0.3
159.11760	0.2
163.01817	0.4
181.02844	0.7
186.14880	56.3
186.37917	0.3
187.07504	0.5
187.15250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05500	0.6
56.05027	1.0
56.96562	2.3
57.03426	0.3
57.04542	0.7
58.02957	0.8
58.06578	0.2
59.06121	0.5
60.04511	0.7
63.32326	0.2
67.05492	0.6
68.05004	0.6
69.03447	1.1
69.04539	0.2
69.07061	0.7
69.72427	1.5
70.02581	0.4
70.02952	6.9
70.06590	5.1
71.01348	0.4
71.06106	0.7
72.04498	0.5
72.08144	0.7
73.07670	1.3
80.05035	0.3
81.03403	0.6
81.04505	0.2
81.07040	0.5
82.06557	0.3
83.04947	0.3
83.06104	0.6
84.04500	1.0
84.08122	0.6
85.02901	2.6
85.04022	1.4
86.06047	0.3
86.09705	0.3
89.03923	1.7
94.06580	0.5
95.04947	0.3
96.04468	0.6
97.00824	0.5
97.02900	0.3
97.06506	0.6
97.07661	0.4
98.06071	0.7
98.07179	7.5
98.97581	0.5
99.04436	0.3
99.05573	2.0
100.03998	0.3
100.07605	0.3
102.05538	0.4
103.05469	0.7
107.04949	0.3
108.04406	0.3
108.58595	0.2
109.02864	0.3
109.07658	0.5
110.06055	0.5
111.05605	0.3
111.09186	0.4
112.05060	0.4
112.07602	0.7
113.04755	0.3
114.05533	2.7
115.05467	0.3
116.98612	0.6
117.03384	2.1
120.96764	0.2
121.00777	1.5
121.01606	0.5
122.06019	0.3
123.06628	0.2
125.02341	0.3
125.05989	0.3
125.07158	0.2
126.05607	2.2
126.06629	41.7
127.03965	0.4
127.05070	0.7
127.06168	1.3
127.08680	0.3
128.07079	0.3
130.06508	0.5
131.04945	1.3
134.99651	0.5
135.04384	0.4
136.51100	0.2
138.05444	0.4
139.01811	4.7
139.02834	0.3
140.07069	1.2
140.07986	0.2
143.03502	0.3
144.07677	100.0
145.02846	2.2
145.08018	1.0
146.99666	0.3
151.06114	0.7
151.08665	0.4
153.00706	0.3
158.05959	1.1
158.08041	0.3
159.04427	0.3
159.08116	0.3
163.01813	3.8
163.03920	0.5
168.06488	0.3
168.08826	2.0
169.01654	0.7
169.07204	26.0
169.09633	0.8
170.07672	0.3
171.02866	0.7
174.03717	0.4
181.02859	10.4
183.04172	0.5
186.05544	1.6
186.07677	0.9
186.09862	24.7
186.18501	0.9
187.03841	1.4
187.07477	0.4
187.10776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67653	0.2
54.03472	0.2
56.05033	1.5
56.96566	1.0
58.06602	0.6
58.99873	0.2
59.06126	0.3
60.00641	0.3
60.04533	0.3
67.05511	0.3
68.05028	0.4
69.03407	0.2
70.06595	0.3
70.77945	0.5
72.25682	0.2
79.05500	0.2
80.05029	0.3
81.04547	0.2
82.06604	0.2
82.99854	0.6
83.06099	0.6
84.04504	0.7
84.08154	0.2
85.07680	0.1
95.04987	0.3
96.04476	0.2
96.05305	0.2
96.08147	0.2
97.07642	0.5
98.06077	0.2
98.07219	0.2
98.97598	0.3
99.05603	0.2
100.02494	0.5
101.00864	6.8
101.95039	0.4
102.00974	0.5
109.07622	0.8
110.06100	0.2
111.09188	0.2
116.05574	0.4
116.98592	0.4
118.03511	1.7
119.01920	100.0
119.96079	0.3
120.02015	4.9
120.03185	0.3
121.01645	0.5
121.02395	0.4
121.07623	0.2
122.42798	0.2
124.02413	0.8
124.08682	0.2
125.07108	0.5
125.38501	0.2
127.08698	0.3
132.44603	0.2
133.03468	0.4
134.03011	0.2
134.06650	0.5
134.99623	0.5
136.04573	1.6
136.05571	0.2
137.02956	63.6
137.97060	0.5
138.03094	3.4
138.04268	0.3
138.98976	0.4
141.05096	0.4
141.06641	0.2
142.03499	20.9
142.09760	0.2
143.03734	2.7
144.03224	0.4
151.04541	0.2
153.00705	0.2
154.09784	0.2
155.98141	0.3
156.05055	0.5
158.06644	1.3
159.06169	0.4
160.04556	11.3
161.02936	5.8
161.04253	3.7
162.03090	0.2
162.04263	0.8
165.05087	0.9
166.09706	0.3
167.08206	0.2
170.33504	0.2
176.07689	0.3
178.03961	0.3
178.05591	1.0
179.03978	10.7
179.05498	2.0
180.04088	0.3
180.05481	0.3
183.06155	0.2
184.04570	1.3
184.05779	0.2
184.07492	0.2
184.10898	0.9
202.03967	0.2
202.05583	1.2
202.07268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	mHPHA
Peak:m/z	Relative Intensity
51.02379	0.7
52.03169	0.3
53.03945	8.6
55.01871	3.8
55.05507	1.2
56.05038	0.9
56.96562	2.9
57.03458	0.3
58.06589	0.3
59.06128	3.5
60.17957	0.3
63.04577	0.3
65.03941	5.2
66.04730	0.5
67.05507	9.9
68.05038	0.5
68.99769	0.4
69.03434	1.2
69.07066	0.5
70.06584	2.0
70.07180	0.6
70.07594	1.1
71.04992	1.0
71.06109	0.4
72.08148	1.3
73.02917	0.5
74.02449	0.4
77.03926	1.5
79.05497	1.7
80.02616	0.4
81.03427	1.7
81.07059	2.0
82.06578	0.7
83.05010	0.4
83.06094	1.4
84.04473	0.4
84.08100	0.4
84.96039	0.7
85.02885	0.8
85.07662	0.4
86.08491	0.7
91.05465	2.7
93.03387	0.7
93.07054	1.3
94.04191	0.6
95.04966	100.0
95.08598	2.2
96.05306	1.0
96.08121	0.6
97.02865	2.0
97.06520	0.9
97.07642	1.1
98.03705	0.8
98.06020	0.4
98.97574	1.3
98.98448	1.3
99.04461	1.4
99.05604	0.7
105.03419	1.7
105.04511	4.5
105.07027	0.9
107.04941	0.7
107.08582	0.5
109.02869	0.6
109.06511	1.3
109.07661	1.8
109.10144	1.1
110.03680	0.6
110.06053	0.5
111.04466	1.3
113.05982	0.4
116.98627	1.3
118.18677	0.3
118.98195	0.5
119.01934	1.5
119.04966	2.7
119.08586	1.5
121.02858	0.3
121.04008	0.7
121.06535	0.7
121.10109	0.4
122.03632	0.6
122.07128	0.4
123.04426	74.8
123.08047	2.0
123.09114	0.6
123.11742	0.4
124.04794	0.6
124.07597	3.3
124.08669	1.4
125.02347	3.6
125.06146	0.6
125.07114	2.2
125.09670	0.4
127.03897	0.4
127.07582	1.1
127.08643	0.3
128.98634	0.8
133.02835	1.5
134.01221	0.5
134.98740	0.3
134.99683	1.1
136.08646	0.4
136.99208	0.4
137.05997	2.4
137.07895	0.3
137.09622	1.6
138.06662	0.4
138.09061	0.6
140.04683	30.5
141.05206	0.4
142.03543	0.6
143.00177	0.4
146.99657	0.4
147.04395	5.0
147.08064	0.4
148.08690	0.4
155.07030	17.7
160.04573	1.1
165.05496	0.7
165.09134	1.1
166.08598	0.9
166.09807	1.0
168.04149	0.5
168.07263	0.9
177.00786	0.4
177.04449	0.4
183.02905	0.4
183.06578	6.5
183.08119	0.3
183.10036	0.8
183.12527	0.7
184.07344	0.5
192.16222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02386	0.9
51.40154	0.5
53.03947	10.5
55.01870	3.6
55.05500	2.2
56.05040	2.2
56.96574	2.3
57.03436	1.5
57.07075	1.2
58.06618	0.7
59.05013	0.6
59.06118	4.2
65.03942	4.6
67.05507	11.9
68.05040	0.7
68.99804	0.9
69.03432	2.0
69.07066	1.6
70.06603	2.4
70.11462	2.0
71.04991	2.6
72.08141	0.9
77.03956	1.5
79.05492	2.5
81.03413	4.3
81.07055	3.5
82.06586	0.6
83.04966	1.4
83.06107	2.0
83.94267	0.5
84.04517	0.7
84.08136	1.6
85.02892	1.6
85.06551	1.3
85.07691	0.5
85.08479	0.6
86.08473	0.9
91.05480	3.2
93.03390	0.6
93.07040	2.7
94.04161	0.7
95.04968	100.0
95.08603	5.1
96.05321	1.7
97.02892	1.6
97.06541	3.4
97.07658	1.6
98.06063	1.3
98.09717	0.6
98.97543	0.6
98.98461	2.8
99.04448	2.0
99.05598	1.4
99.08118	0.8
99.57123	0.5
105.03400	5.0
105.04488	4.4
105.07045	1.5
107.04934	0.9
107.08566	1.1
109.02895	1.2
109.06542	2.7
109.07669	3.0
109.10144	2.9
110.03590	0.6
110.06004	0.7
111.04440	1.6
111.08079	0.9
111.09248	0.5
115.05472	1.5
116.98639	0.6
118.88815	0.4
119.01896	1.9
119.08582	4.9
119.29966	0.5
121.04001	0.6
121.06567	0.5
121.10151	1.1
122.03658	2.1
122.07137	0.7
123.04429	71.1
123.08058	6.1
123.11715	0.7
124.04817	1.0
124.08720	2.4
124.99956	0.6
125.02351	4.6
125.06010	1.4
125.07117	2.6
125.09576	0.9
127.01523	0.6
127.03934	0.7
127.07569	4.5
127.08424	0.7
133.02907	2.3
133.16806	0.5
134.99651	0.9
136.99205	0.5
137.00156	0.6
137.02985	0.9
137.05989	3.5
137.06979	0.8
137.07930	1.5
137.09615	4.7
138.05515	0.8
138.06607	0.5
138.09102	0.7
139.03902	0.5
139.07513	1.1
140.04689	26.3
140.08145	1.1
141.05447	0.8
142.03482	0.6
142.06514	0.7
142.09772	0.6
143.01773	0.6
147.08037	1.8
148.08685	0.8
151.03915	1.1
153.05536	1.1
153.06776	0.6
155.03520	0.5
155.07037	17.6
155.08273	1.0
160.04521	1.9
161.02910	0.7
165.05478	1.6
165.07750	0.5
165.09048	2.6
166.06061	0.6
166.09721	1.2
168.04189	1.3
168.09261	0.5
173.08141	0.6
178.05676	0.5
182.05421	0.5
183.02933	1.0
183.06696	10.5
183.09154	41.9
183.11876	1.0
183.12553	1.1
183.15790	0.7
184.09503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03933	0.4
53.18719	0.2
55.01863	0.4
55.05503	0.9
56.05034	0.5
56.96569	2.2
57.03415	0.3
59.15415	0.2
60.95817	0.3
61.61642	0.3
62.11334	0.3
65.03932	0.7
67.05496	0.5
68.05022	0.6
69.03439	0.9
70.06584	0.3
70.84845	0.6
70.85181	0.5
71.04987	0.3
74.02422	1.4
79.05505	0.6
80.05023	0.7
81.03438	0.3
81.07053	0.9
83.08663	0.4
85.02895	0.4
87.04479	0.4
90.04258	0.6
91.05480	38.5
92.05820	0.9
93.03439	0.4
93.05798	0.3
93.07056	0.8
94.06572	1.0
95.04963	5.6
95.06078	0.4
96.08111	0.4
97.02876	0.6
98.06051	0.3
98.97569	1.5
103.05460	1.4
107.04959	1.1
108.04491	0.5
108.05202	0.4
108.08112	1.1
109.02847	0.3
109.06551	2.0
109.07652	0.5
111.04418	0.4
111.09225	0.4
112.55735	0.7
113.05904	1.2
116.98634	1.2
118.03651	0.4
118.06534	2.7
119.04941	40.4
120.05269	1.0
121.06477	0.8
122.06026	1.0
122.07067	0.3
123.04433	15.0
123.05360	0.6
125.07122	0.5
127.05672	0.3
128.02319	0.6
134.99664	1.1
135.06783	0.4
135.56969	1.8
136.07578	100.0
137.05969	0.5
137.07983	1.7
140.04694	0.3
140.08168	0.8
142.04854	1.4
146.03262	0.7
147.04401	5.1
153.00700	0.3
153.05591	0.4
154.08617	1.0
155.06879	0.3
157.48358	0.3
158.99617	0.4
164.04268	2.8
164.07004	1.4
164.10689	0.5
165.05476	6.5
177.00710	1.0
182.08006	4.1
182.09566	0.4
182.11650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
52.96082	0.9
54.15456	0.8
54.37753	0.8
55.05517	7.1
55.48030	0.9
55.82546	0.9
56.11856	0.9
56.96568	1.5
57.03431	1.8
57.07055	3.9
58.02959	34.0
64.05836	0.8
67.05501	21.3
69.07066	67.7
70.06580	2.9
70.86494	2.8
74.06079	1.5
79.05492	6.7
81.07058	21.3
81.92435	0.8
82.06599	1.3
83.04955	1.2
83.08619	7.6
84.08133	9.0
86.06105	1.0
91.05445	5.7
93.07042	10.8
95.04961	3.4
95.08615	7.0
97.06535	5.6
98.06055	2.7
98.09689	2.5
98.97578	5.2
99.97908	3.1
100.07597	7.8
105.07027	13.2
107.08583	18.8
109.06517	2.3
109.10152	49.6
110.10475	1.1
112.07635	1.9
114.09161	14.4
116.98641	4.9
117.98943	2.7
119.08549	1.5
121.10120	1.2
123.11696	9.4
126.09146	13.6
126.12783	1.7
128.10692	1.2
133.10126	28.3
134.99641	3.8
135.11700	20.3
135.99969	1.5
138.12784	17.9
140.10655	1.4
140.14307	1.7
147.11748	5.3
151.11176	10.5
153.12747	14.1
154.15916	1.8
164.14325	2.5
165.12755	3.2
182.15401	100.0
183.15759	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	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
53.03938	1.1
55.01874	1.0
55.05517	0.5
56.05040	1.9
56.96566	7.6
57.03191	0.5
57.03425	2.5
58.06612	0.5
58.99872	0.4
61.02915	0.9
63.92938	0.5
64.43822	0.4
65.03946	0.8
67.05508	1.2
68.05036	0.4
68.18627	0.4
69.03432	1.8
70.06602	0.4
71.04970	0.6
72.08123	0.4
73.02905	1.9
78.31255	0.4
78.95284	1.9
79.05503	0.6
80.05013	1.3
81.03427	1.5
84.01547	0.5
84.08116	0.5
84.96024	1.0
85.02902	2.3
86.03699	0.5
90.01551	0.4
90.04247	1.1
91.05479	34.3
92.05807	0.9
93.05735	0.5
93.07039	1.1
94.06565	1.5
95.04969	16.0
97.02879	2.3
98.01325	0.4
98.97575	5.1
99.04497	0.9
99.97955	0.5
100.02497	0.4
103.05465	1.5
105.04443	0.5
107.04949	1.6
108.04495	2.1
108.08125	1.5
109.02863	0.8
109.06517	1.7
109.07647	0.9
110.06053	0.4
111.02905	0.5
111.04427	0.6
111.53658	0.6
112.07591	0.7
116.98614	4.1
117.98967	0.9
118.03635	1.4
118.06539	1.8
118.09936	0.4
119.01878	3.5
119.04941	41.3
119.97882	1.4
120.05293	0.5
120.98045	0.4
121.06538	1.3
122.06014	2.7
122.94192	0.9
123.04427	52.8
124.04774	0.8
124.07639	0.5
128.02296	1.3
128.98611	1.0
130.08688	0.4
131.01884	1.5
133.03484	0.7
134.99651	3.5
136.00005	1.0
136.04834	2.8
136.07574	100.0
137.03021	0.4
137.05969	1.0
137.07930	1.8
138.05515	1.3
140.04588	0.6
140.07082	2.2
143.00208	0.6
143.01920	0.7
144.99794	0.5
145.03453	0.7
146.03117	0.9
146.05980	0.6
146.99648	1.0
147.04402	17.7
149.02931	0.7
150.05432	0.8
152.07089	0.5
153.00676	0.5
154.03531	0.5
154.04990	0.5
154.08586	1.4
155.04388	0.4
158.96330	1.2
158.99672	1.6
159.57159	0.4
161.01361	0.5
161.02954	1.2
163.96835	1.2
164.04318	6.0
164.05698	0.7
164.07028	3.1
165.05478	26.2
167.07068	0.5
173.03008	0.8
174.04562	0.5
176.97249	0.4
177.00713	2.8
177.02388	1.1
181.97955	1.1
182.04434	0.6
182.08066	11.2
182.11565	1.9
185.02983	0.7
186.04361	0.8
189.00677	0.4
195.01804	0.7
195.03468	0.5
201.00664	0.8
204.05412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
54.60485	0.4
56.96564	1.9
63.55252	0.4
65.03944	0.9
71.58865	0.8
71.59249	0.6
73.02916	0.5
75.17680	0.4
84.08170	0.6
91.05484	26.9
92.05794	0.4
93.07044	0.5
95.04977	11.4
97.02882	0.5
98.97588	0.9
103.05460	1.3
107.04978	1.3
108.08110	0.8
109.06532	1.3
116.98604	0.7
117.90476	0.4
118.06533	1.1
119.01801	0.9
119.04946	37.9
121.06524	0.9
123.04436	48.1
124.04822	0.8
136.07585	100.0
137.05989	0.6
137.07953	1.7
138.05449	0.7
141.41296	0.4
142.04857	8.5
147.03233	0.9
147.04410	17.3
150.04305	0.5
164.05687	1.3
164.07079	1.5
165.05487	25.5
177.00726	0.7
182.06732	1.6
182.08136	8.8
182.11794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.2
53.03957	0.7
54.18906	0.3
55.01891	1.4
55.05524	0.6
55.61713	0.4
56.05028	1.5
56.49874	0.3
56.96567	7.2
56.96843	0.4
57.03437	2.1
61.02945	0.9
62.95176	0.3
63.92958	0.5
65.03964	0.7
67.05509	0.6
68.99794	0.4
69.03443	1.4
71.01370	0.4
71.04984	0.6
71.58536	0.6
71.95267	0.5
72.93782	0.4
73.02896	1.8
78.95271	1.6
79.05506	0.7
79.49545	0.3
80.05024	0.9
80.05835	0.3
81.03416	1.6
81.07053	0.5
83.05029	0.4
83.06099	0.4
84.04507	0.6
84.08157	0.7
84.96043	0.9
85.02904	1.8
87.04472	0.6
89.03905	0.3
90.01512	0.3
90.04277	0.8
91.05482	38.6
92.05840	0.5
93.07059	0.8
94.06604	1.5
95.04972	18.6
95.46070	0.3
96.04516	0.3
96.05295	0.3
97.02879	1.8
98.97583	3.6
99.04490	0.4
100.02493	0.5
101.00851	0.4
102.02425	0.4
103.05465	1.7
104.01292	0.4
105.03391	0.3
107.00177	0.3
107.04963	1.8
108.04499	1.2
108.05264	0.5
108.08118	1.7
109.02881	0.6
109.06515	1.9
109.07664	0.8
110.01316	0.4
110.06104	0.4
110.97589	0.4
111.04459	0.7
111.53621	0.5
112.04744	0.5
112.07615	0.8
116.98624	3.8
117.99002	0.8
118.03700	1.7
118.06554	1.7
119.01893	2.7
119.04946	40.6
119.97160	0.3
119.97900	1.8
120.05263	0.7
120.08149	0.3
121.06506	1.2
122.06010	2.6
122.94212	0.7
123.04432	52.5
124.04797	0.8
124.07593	0.3
127.03987	0.4
128.02313	0.9
128.98636	0.6
130.08614	0.5
131.00198	0.4
131.01860	1.8
133.03485	0.6
134.99657	3.2
135.06779	0.4
135.56920	0.4
136.00005	1.1
136.04829	2.9
136.07581	100.0
137.02907	0.7
137.05980	0.9
137.07948	1.7
138.05461	1.4
139.03877	0.4
140.04285	0.4
140.07063	1.6
140.95235	0.5
140.98613	0.4
143.00150	0.4
143.01868	0.6
144.98083	0.3
144.99808	0.8
145.03453	0.7
146.03171	1.3
146.05994	0.8
146.99654	1.7
147.04408	16.8
148.04787	0.4
149.02982	0.4
150.05460	0.5
153.00717	0.5
154.03604	0.7
154.08611	1.0
155.01921	0.5
155.06981	0.4
158.96318	1.2
158.99643	1.2
159.01483	0.4
159.93161	0.5
161.01218	0.9
161.02948	1.1
163.96848	1.1
164.04305	6.0
164.05667	0.6
164.07007	2.7
165.05478	25.3
166.05789	0.3
166.08606	0.3
168.01610	0.3
173.02930	1.2
175.04536	0.4
177.00659	2.9
177.02405	1.5
181.97905	1.6
182.02995	0.4
182.04408	0.6
182.05704	0.5
182.06902	0.4
182.08093	10.9
182.09256	0.6
182.11562	1.8
185.03014	0.8
189.00714	0.6
195.01730	0.4
195.03439	0.6
195.06892	0.4
201.00523	0.4
203.04050	0.4
204.05415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03949	5.6
55.01857	2.4
55.05513	4.7
56.05022	2.4
56.96566	4.0
58.02933	2.7
59.06113	1.2
65.03938	6.1
67.05500	20.8
68.05016	1.6
69.03409	2.9
69.07071	6.1
69.35664	2.1
69.36083	5.6
70.02960	0.9
70.06586	1.9
71.04984	1.2
73.02869	0.8
76.90152	0.8
79.05492	26.3
80.05005	3.6
80.05820	1.5
81.03416	1.8
81.07053	36.7
82.06559	1.9
83.04974	1.5
83.06095	1.0
83.08607	2.1
84.04555	0.9
84.08143	27.2
85.02892	1.4
86.02422	5.1
91.04971	1.2
91.05485	13.4
92.04999	1.5
93.05780	6.0
93.07029	1.9
94.06551	4.1
94.07360	1.3
95.04366	1.8
95.04967	35.6
95.06004	1.7
95.08640	1.8
96.04471	3.2
96.05718	1.1
96.08123	1.9
97.02866	1.1
97.05270	0.8
97.06539	10.0
97.07656	0.9
98.06050	3.0
98.07140	0.8
98.09685	3.4
98.97576	3.9
99.05582	1.5
99.97926	1.2
100.03997	0.9
103.05448	1.1
104.05768	0.9
105.04514	1.7
106.06538	1.9
107.04930	1.1
107.07345	3.7
107.08497	1.4
108.04462	2.8
108.08116	55.3
109.06513	8.0
109.07652	1.2
109.08423	1.0
109.10175	1.3
110.06051	6.1
110.06728	1.0
110.06975	0.6
111.04454	1.0
112.03979	0.8
113.05962	1.1
116.98627	5.8
117.07054	0.9
117.98955	1.4
118.06513	3.0
119.01900	1.8
119.04945	7.0
119.08557	3.3
120.04417	1.0
121.05257	4.1
122.03635	1.2
122.06002	6.5
122.06881	2.3
123.04438	22.3
123.05495	2.9
123.08080	1.5
124.05166	1.1
124.07603	2.1
124.08646	1.0
125.02373	1.1
125.05994	26.2
126.05509	28.8
126.09147	16.1
127.05785	0.9
133.02823	1.3
134.04572	2.5
134.06038	1.1
134.99666	8.4
135.99962	3.2
136.07573	100.0
137.05945	2.8
137.07915	1.3
137.09633	1.4
137.59163	0.8
138.05478	3.6
139.03804	1.1
139.09769	1.3
140.03532	1.4
140.04666	7.4
140.07062	2.0
140.08163	6.1
141.05438	1.9
142.04863	10.4
145.03371	0.8
147.04385	3.4
147.08032	2.7
153.00735	2.1
153.05466	1.7
153.07845	3.1
154.07370	1.2
154.08618	22.5
155.06995	3.7
164.04210	3.1
164.07063	76.7
165.02086	1.0
165.05460	5.2
165.08951	1.2
166.98662	0.9
171.55452	1.6
177.00694	1.3
180.56064	3.3
181.04961	2.8
182.04797	7.6
182.08112	81.1
182.11497	1.8
182.15361	2.1
182.19188	1.0
183.06494	2.6
183.09280	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	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03949	0.8
55.01873	0.4
55.05499	0.4
56.05034	0.3
56.96567	1.3
59.06137	0.3
63.02380	0.6
65.03937	0.7
68.05022	0.8
69.07079	0.3
69.75954	1.1
69.76385	0.9
79.05497	5.0
81.31785	0.3
82.06585	0.3
83.06101	0.9
89.03919	20.4
90.04233	0.4
91.05487	2.4
93.03426	0.7
93.07040	1.1
95.04963	1.7
95.06100	0.6
97.07671	0.4
98.20851	0.4
98.97581	5.9
99.05603	0.4
103.05486	0.6
107.04955	7.9
107.08600	0.7
107.13715	0.3
109.06499	0.3
109.07633	0.5
110.07169	0.5
111.04441	2.0
116.98613	6.4
117.03381	22.3
118.03699	0.5
119.04964	0.7
121.06516	0.6
121.10168	0.4
122.07105	0.5
123.05562	0.4
123.08022	0.4
124.08702	0.4
125.07134	0.3
128.02304	0.3
134.03621	0.3
134.99666	5.7
135.04414	45.9
135.11656	0.5
136.04758	1.1
136.08693	0.4
137.05960	0.5
139.03886	1.7
140.08174	0.4
145.02844	25.7
146.03160	0.7
148.05185	0.3
149.05968	0.3
153.00690	1.3
154.09818	0.3
163.03902	100.0
164.04237	2.5
181.04959	1.2
181.08611	1.1
181.10825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0579
Annotation	Phosphinothricin
Peak:m/z	Relative Intensity
56.96581	0.7
57.03429	0.6
69.03403	0.7
71.58884	1.1
73.02906	0.7
76.31834	0.4
83.06120	0.4
85.02916	0.5
91.05473	1.2
93.89884	0.5
94.06580	0.6
95.04978	0.5
97.02863	0.7
98.97583	0.9
100.11256	2.1
119.01896	1.1
119.04952	1.1
122.06078	0.5
123.04484	2.1
128.02301	0.6
131.01909	0.6
136.07584	6.5
141.50674	0.4
145.03557	0.5
147.04434	0.8
164.07082	1.3
165.05475	0.6
166.73364	0.5
182.05794	100.0
183.06107	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
54.03489	0.2
55.01872	0.8
55.05513	0.7
56.05033	0.8
56.96565	3.3
57.03435	0.3
57.07077	0.5
57.38596	0.2
58.06584	0.4
59.05006	0.4
59.06116	0.6
63.02375	0.5
63.03861	0.2
63.04202	0.2
65.03940	1.3
67.05505	1.9
68.05025	1.0
68.99788	0.3
69.03432	0.6
69.04539	0.3
69.07044	0.6
70.06602	0.4
71.04980	0.4
71.15414	0.5
71.15752	0.3
71.95274	0.4
72.04501	0.3
73.30689	0.2
77.03937	0.3
79.05495	4.2
81.03416	0.6
81.04540	0.6
81.05811	0.3
81.07068	0.6
82.04188	0.2
82.05304	0.4
82.06569	0.3
83.04988	0.6
83.06091	1.2
83.08613	0.3
83.42677	0.2
84.08148	0.5
85.02900	0.9
85.07674	0.4
87.05605	0.2
89.03918	18.6
90.04223	0.3
91.05479	3.3
93.03419	0.7
93.07032	1.6
95.04980	3.3
95.06086	1.1
95.08592	0.6
96.05630	0.3
96.06885	0.3
97.02894	0.6
97.06542	0.8
97.07660	0.9
98.07242	0.3
98.97585	10.8
99.05608	0.6
101.07190	0.3
103.05476	0.6
105.07040	0.4
107.04954	7.6
107.06066	0.4
107.08606	1.2
108.02104	0.2
109.07642	0.7
110.03635	0.3
111.04451	2.4
111.05563	0.3
111.08022	0.5
112.13696	0.2
113.07077	0.3
114.06673	0.3
116.98622	14.0
117.03382	17.9
117.07052	0.3
118.03706	0.4
118.04649	0.4
119.04955	0.5
121.02874	0.7
121.06507	1.9
121.07594	0.3
121.10146	0.9
122.06217	0.3
122.07150	0.9
123.04424	0.6
123.05544	0.4
123.08032	0.3
123.09171	0.3
124.08737	0.5
125.05988	0.8
125.09622	0.3
134.99663	16.5
135.04416	43.0
135.07986	1.3
135.11711	0.5
136.04756	1.0
136.07646	0.5
136.08698	1.1
136.99985	0.3
137.02769	0.3
137.05995	1.3
137.07025	0.2
138.03128	0.3
138.06648	0.4
139.03903	2.0
139.09763	0.4
140.00204	0.3
140.08191	0.8
142.04832	0.9
145.02846	23.7
146.03166	0.7
146.99612	0.2
148.05115	0.4
149.02321	0.4
149.05972	0.7
153.00717	3.9
153.05479	0.6
153.09114	0.6
154.09714	0.5
158.01263	1.1
163.03905	100.0
163.11172	0.8
164.04251	2.6
164.08217	0.6
171.06525	0.5
172.53088	0.2
176.02252	0.4
177.00685	0.3
181.03894	0.4
181.05069	3.2
181.06474	0.5
181.08629	1.3
181.10947	1.5
181.12257	0.5
182.04895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03953	0.9
53.18450	0.2
54.03479	0.3
55.01877	0.8
55.05508	1.1
56.05037	0.9
56.96565	4.9
57.03442	0.4
57.07085	0.5
58.06617	0.3
59.06131	1.0
60.04508	0.2
61.81125	0.2
63.02386	0.2
65.03931	2.0
65.13336	0.2
65.96691	0.2
67.02985	0.2
67.05488	1.2
68.05018	1.5
69.03436	0.8
69.07083	0.6
70.06593	1.4
70.68935	0.5
71.01353	0.4
71.04989	0.4
71.06135	0.3
71.95265	0.4
72.04513	0.3
72.08163	0.7
74.06095	0.3
77.03944	0.4
79.05494	5.8
80.05040	0.4
81.03418	1.0
81.04549	1.0
81.07049	1.1
82.04188	0.4
82.06575	0.4
83.04969	1.1
83.06104	1.5
83.08616	0.5
84.04507	0.4
84.08147	0.3
85.02910	0.8
85.07647	0.4
89.03915	17.4
89.88014	0.2
91.05481	5.1
93.03424	0.6
93.07039	3.6
94.06571	1.2
95.04366	0.3
95.04972	5.8
95.06051	1.4
95.08607	0.6
96.04520	0.4
96.05658	0.4
96.74039	0.2
97.02888	0.4
97.04053	0.2
97.06551	1.0
97.07646	1.5
98.06052	0.4
98.07186	0.5
98.20780	0.3
98.97580	8.5
99.05591	1.0
99.39793	0.2
99.97912	0.2
101.07145	0.3
103.05478	2.1
105.03384	0.3
105.04516	0.5
105.07043	0.7
107.04954	7.8
107.08593	1.9
108.02062	0.3
108.05666	0.3
109.06517	0.6
109.07634	1.2
109.10112	0.3
110.03651	0.5
110.06034	0.7
110.07186	0.4
111.04450	2.7
111.05594	0.3
111.08052	0.9
111.09243	0.3
113.07085	0.3
114.06626	0.4
116.98615	15.3
117.03376	19.0
117.07028	0.7
118.03737	0.2
118.65037	0.2
119.04952	1.2
119.06069	0.3
119.08596	0.6
120.05683	0.6
121.02872	0.6
121.06491	3.6
121.10143	1.6
122.06039	6.5
122.07150	1.9
123.00790	0.3
123.04416	0.8
123.05574	0.6
123.08047	0.7
123.09164	0.3
124.08731	0.6
125.06016	1.0
125.07071	0.3
131.04948	0.3
134.99658	24.3
135.04413	41.6
135.08025	1.6
135.11702	0.7
136.04828	0.8
136.07585	0.7
136.08699	1.0
137.02359	0.3
137.05991	1.5
137.07030	0.4
137.09656	0.3
138.05708	0.2
138.06721	0.9
138.10286	0.4
139.03937	1.9
139.07510	0.4
139.09799	0.9
140.00162	0.3
140.08186	1.3
142.04868	0.6
145.02843	24.2
145.10136	0.8
146.03214	0.6
148.05223	0.7
149.02359	0.9
149.06003	1.5
151.03906	0.7
151.07536	0.6
153.00702	5.9
153.01892	0.4
153.05461	0.7
153.09126	0.7
154.09755	0.5
158.01268	1.7
163.03900	100.0
163.11182	1.4
164.04269	2.8
164.06998	0.3
164.08269	1.6
164.10703	4.9
164.11967	0.4
166.06256	0.9
167.03410	0.4
171.06459	0.4
177.00723	0.3
181.03635	0.3
181.05038	4.2
181.06638	0.5
181.08594	5.1
181.10814	2.7
181.12256	1.2
181.15820	0.5
182.06641	0.3
182.08055	0.3
186.05467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03930	2.5
55.01873	15.0
55.05510	11.3
56.05034	1.0
56.19209	0.9
56.96571	6.5
57.03438	11.9
57.07059	2.3
57.94767	0.9
65.03928	4.7
67.05502	48.3
68.05017	1.9
68.99776	1.0
69.03420	4.1
69.04549	1.1
69.07063	14.0
70.86678	2.9
71.04987	6.5
77.03909	1.1
79.05486	34.7
81.03405	2.6
81.04517	1.7
81.07053	100.0
82.07374	1.3
83.04977	10.0
83.08619	5.1
85.06543	10.0
89.03923	1.6
91.05478	61.8
92.05813	1.9
93.07040	48.7
94.04161	1.1
95.04961	12.7
95.06091	2.8
95.08604	87.6
96.08923	1.7
97.06525	22.7
99.04496	1.0
99.08092	8.6
103.05468	3.9
105.03369	3.7
105.07027	52.2
106.06564	1.0
106.07296	1.3
107.04946	2.2
107.08588	24.9
108.05708	1.2
109.02885	2.1
109.06513	11.6
109.10154	14.4
110.01276	1.6
111.08041	5.2
115.05410	1.8
117.07020	3.9
118.04180	3.4
119.04941	34.7
119.08575	66.8
120.05488	1.6
121.06490	2.6
121.10134	20.5
121.52068	1.2
122.03620	1.1
123.04451	7.9
123.08067	13.0
123.11695	4.0
126.02538	1.8
128.52841	1.2
131.08549	1.6
133.02843	3.5
133.06493	7.8
133.10132	42.2
134.07031	0.9
135.03047	0.9
135.04369	1.6
135.08057	1.4
135.11697	32.2
136.04256	1.0
136.05168	5.0
136.08829	1.0
137.05974	14.9
137.08209	5.8
137.09581	5.7
137.13249	3.2
138.06628	1.0
146.03624	4.7
147.04416	48.5
148.04733	2.7
149.02278	1.7
151.03914	4.0
151.07561	5.0
151.11179	3.2
161.05980	13.2
161.09625	3.0
161.13252	86.2
162.06427	1.1
162.13573	2.6
164.04665	3.5
179.03409	17.8
179.07083	34.2
179.09364	2.4
179.10762	9.2
179.14301	98.2
180.07591	1.1
180.14693	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	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03938	2.9
55.01860	2.7
55.05256	1.4
55.05510	19.3
56.96558	2.5
57.03421	4.9
57.07056	4.0
61.69006	1.0
65.03939	2.5
67.05505	76.7
69.03419	5.6
69.06720	1.4
69.07069	15.2
69.96428	2.5
69.96835	3.5
71.04993	7.4
71.08627	1.5
73.22062	1.0
79.05485	18.0
81.03402	4.4
81.07057	60.6
83.04987	4.9
83.08623	2.5
85.06563	1.6
91.05479	16.3
93.07043	25.6
95.04962	19.4
95.08604	100.0
97.06532	1.4
98.55082	1.1
105.07027	15.4
107.04945	1.9
107.08601	12.4
109.06513	11.9
109.10158	41.9
119.04964	2.6
119.08572	16.6
121.10147	5.1
123.08070	16.2
123.11696	1.5
133.10124	6.6
135.11703	6.3
137.09599	18.5
137.13255	2.3
137.61436	1.0
147.04401	4.0
151.11263	1.1
151.14825	8.8
161.05972	2.9
161.13246	7.9
179.03343	2.2
179.10847	1.5
179.12729	2.5
179.14308	46.4
180.14630	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03926	3.2
53.08932	0.9
55.01861	3.7
55.05265	1.5
55.05515	24.1
55.62925	1.0
56.96552	2.1
57.03444	4.8
57.07077	7.1
59.05011	1.3
65.03927	2.0
67.05510	58.9
67.79340	0.9
69.03419	3.3
69.07072	12.5
70.20878	0.9
70.21178	4.8
71.04979	4.3
79.05064	1.6
79.05499	23.6
81.03401	1.8
81.07063	100.0
83.04983	2.4
83.08637	5.6
85.06544	2.0
85.10177	1.6
91.05488	14.8
93.07057	27.2
95.04974	24.2
95.08612	74.4
97.06528	5.6
103.05460	1.2
105.06392	1.6
105.07041	22.3
107.08594	10.1
109.06521	20.4
109.10162	23.6
110.01289	1.1
111.08076	1.3
119.04931	3.5
119.08583	18.5
121.10156	8.0
123.04472	1.3
123.08078	21.6
123.11684	1.2
133.06490	1.7
133.10109	7.7
135.11696	6.6
137.09612	7.4
137.13271	1.6
147.04401	4.9
151.14845	5.9
154.29539	1.0
161.06041	1.6
161.13269	10.4
179.03403	3.0
179.06802	1.7
179.10789	1.6
179.14333	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	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02367	0.4
53.03937	0.7
54.03455	0.4
55.01869	4.9
55.05507	0.8
56.05035	1.9
56.05827	0.4
56.96565	6.8
57.03432	1.2
57.74634	0.3
58.06589	0.5
58.99588	4.0
60.04519	0.9
65.03931	3.1
66.04734	0.3
67.05503	4.3
68.05023	2.1
68.99789	1.4
69.03411	1.5
69.04543	1.3
69.07075	0.7
70.06074	1.5
70.06590	2.3
71.01353	0.4
72.04497	0.7
72.08159	0.7
73.02891	0.9
76.02226	12.7
76.04004	0.6
77.03928	3.2
79.05489	4.0
80.05025	0.5
81.03430	2.1
81.04528	1.4
81.07043	2.3
82.06555	0.5
83.04975	1.1
83.06119	2.1
84.04469	0.5
84.08141	3.6
85.02891	1.5
86.09709	1.2
86.99041	0.7
88.02208	0.4
89.03930	0.8
91.02315	0.4
91.05477	40.9
92.04972	0.4
92.05814	0.7
93.04506	0.8
93.07044	1.7
94.04164	0.4
94.06581	0.5
95.01344	0.6
95.04976	7.3
95.06081	4.8
95.08601	1.6
96.01512	0.5
96.04485	0.8
96.05597	0.6
97.02902	0.9
97.04012	0.6
97.07654	1.0
98.07159	0.5
98.97590	1.0
99.04440	0.6
103.05462	1.0
105.03392	8.4
105.04478	0.7
105.07036	5.7
105.90647	0.4
106.02903	0.7
106.06564	0.5
107.04951	2.9
107.06100	0.6
107.08584	1.0
107.52348	0.4
108.04503	0.6
108.05691	1.3
109.02876	1.5
109.06516	1.6
109.07594	0.9
109.10149	0.5
110.01221	0.5
110.06022	0.7
110.07158	1.3
111.04449	0.5
111.05537	0.6
111.08006	0.6
115.05431	0.9
116.01685	3.5
116.08411	0.4
116.10725	1.9
116.98660	0.7
117.02057	0.5
117.03355	0.5
117.05771	1.0
117.10310	0.5
117.11066	6.1
118.04192	0.6
118.06580	0.5
119.01813	1.1
119.04939	80.7
119.08571	1.8
120.05350	2.0
120.08073	0.4
121.02844	0.7
121.06496	1.3
121.07638	0.4
121.10159	0.6
122.03650	0.5
122.06054	0.6
122.07133	1.0
123.03562	0.8
123.04432	10.8
123.05506	1.1
123.08067	1.5
123.11692	0.6
124.04845	0.4
124.08714	0.9
126.02597	1.1
128.52797	0.5
128.98561	0.6
130.06514	3.4
132.08083	6.5
133.02841	21.6
133.06490	4.1
133.07578	0.9
133.10110	2.6
134.03246	0.5
134.06033	0.7
134.07137	1.8
134.99641	1.0
135.04411	2.2
135.05380	0.7
135.08084	0.5
135.11780	0.4
136.05200	2.2
136.08705	0.6
137.02344	1.4
137.05986	8.3
137.07097	0.7
137.08212	6.4
137.09627	0.9
137.53401	0.8
138.02768	0.5
138.05504	0.9
138.06557	0.9
138.10190	0.5
139.07466	0.7
144.01141	0.7
146.03630	1.5
146.53897	0.6
146.99689	1.0
147.04405	100.0
148.04720	2.4
148.07524	0.7
151.03896	9.2
151.07547	3.6
151.09776	0.3
151.11182	1.1
152.04486	0.5
152.07059	0.6
152.08179	1.6
155.68727	0.4
155.99666	1.0
161.02336	5.1
161.05952	4.5
161.07126	4.6
161.08272	0.8
161.09431	1.7
161.13245	0.7
162.02148	1.1
162.05408	0.6
162.06635	1.1
162.10258	0.7
163.03949	0.6
163.07552	0.6
164.04781	1.9
165.05405	1.0
173.97318	0.5
174.00752	3.9
179.03397	29.0
179.06946	17.6
179.08192	3.1
179.09404	1.9
179.10658	2.6
179.11940	2.0
179.14322	1.4
179.58017	0.3
180.03722	0.9
180.06392	0.6
180.10130	0.9
192.01758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0701
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
51.51147	0.8
53.03933	2.7
53.42372	0.8
55.01868	7.8
55.05508	7.2
56.05053	0.9
56.96567	1.1
57.03427	3.3
57.07058	3.3
59.04985	1.2
62.29022	0.8
65.03934	4.5
67.05504	22.6
68.05020	1.8
68.99786	3.1
69.03432	3.4
69.07066	8.7
69.31590	8.8
70.88702	0.8
71.04977	1.0
71.08615	1.8
76.02208	2.5
79.05489	11.1
79.36330	0.7
80.02660	1.0
81.03405	2.6
81.04545	0.8
81.07051	13.4
83.04975	14.0
83.06068	1.1
83.08604	1.8
85.02867	1.3
85.06536	1.8
91.05474	33.1
93.03404	1.2
93.07034	10.4
95.04966	29.1
95.06073	2.5
95.08601	34.9
97.06517	1.3
97.10164	1.8
98.20699	1.6
98.97614	0.9
103.05461	5.5
105.03396	1.8
105.07027	22.9
107.04942	2.9
107.08587	10.2
108.05733	4.1
109.02890	3.1
109.06513	11.1
109.10152	14.0
110.03680	5.7
111.04437	2.6
111.08066	1.6
115.05387	1.8
117.07037	1.2
118.04147	2.6
119.04933	33.0
119.08578	11.4
120.05609	1.8
121.02847	3.8
121.04002	1.0
121.06510	3.8
121.10130	10.1
122.03732	1.3
123.04424	100.0
123.08057	24.0
123.11710	1.8
124.04744	1.1
133.02875	2.0
133.06474	7.0
133.10118	8.6
135.04414	1.2
135.11682	5.3
136.05162	6.3
137.05977	9.0
137.08209	5.2
137.09593	7.0
137.13271	2.5
146.03619	2.1
147.04401	32.5
149.06049	1.3
150.06786	1.2
151.03880	6.5
151.07532	42.5
151.11179	2.1
151.14825	11.1
152.08092	1.4
161.05980	10.5
161.07130	2.2
161.09622	1.5
161.13245	6.4
164.04691	2.0
179.03447	8.0
179.07036	62.7
179.10497	4.9
179.12758	1.8
179.14296	31.9
180.07428	1.7
185.85512	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02356	0.3
53.03954	0.7
55.01867	1.5
56.05033	0.4
56.96558	2.8
57.03432	0.3
59.41684	0.2
65.03945	0.5
67.05502	1.6
68.05019	0.9
68.99789	0.7
69.03428	0.7
69.04540	0.7
70.06580	0.3
71.04968	0.3
71.29007	0.6
73.02902	0.6
75.69748	0.3
76.02212	0.3
77.03916	1.7
79.05498	1.0
80.06244	0.3
81.03412	1.1
81.04558	0.3
81.07050	1.0
83.04997	0.5
83.06104	0.7
85.02892	1.1
85.13859	0.2
89.03912	2.6
91.05479	3.1
93.04520	0.3
93.07058	0.6
94.74166	0.3
95.04966	3.1
95.06072	2.0
95.08624	0.8
96.04485	0.3
97.02897	0.8
97.04053	0.3
97.07648	0.5
98.97586	0.7
103.05451	0.3
105.03384	4.9
105.04504	0.4
105.07027	1.7
106.06564	0.3
107.04963	1.0
107.06040	0.5
107.08591	0.5
108.05721	0.6
109.02867	1.2
109.06513	0.6
109.07670	0.4
110.07157	0.7
116.98610	0.4
117.03373	1.1
117.49390	0.2
119.04935	4.3
119.08569	0.8
120.05574	0.5
121.02853	3.4
121.06458	0.5
121.07612	0.3
121.10097	0.4
122.07224	0.3
123.04424	44.1
123.08064	1.0
124.04755	0.6
124.08680	0.4
126.02557	0.3
127.03899	0.5
128.98637	0.4
133.02847	35.1
133.06488	1.1
133.10130	1.2
134.03175	0.3
134.07089	0.6
135.04404	5.3
135.11729	0.3
136.05200	0.4
137.05983	1.0
137.08218	3.6
137.09283	0.4
137.09647	0.2
138.06606	0.4
139.07446	0.3
146.03595	0.4
146.99666	0.3
147.03410	0.2
147.04404	4.5
151.03899	11.5
151.07549	0.8
151.11176	0.5
152.08195	0.7
161.02332	1.1
161.06024	1.3
161.08220	0.5
161.09584	0.6
162.05411	0.4
162.10400	0.3
169.01744	0.7
174.00714	0.5
179.03387	100.0
179.09254	1.5
179.10689	1.3
179.14284	0.4
180.03748	2.0
180.06480	0.3
187.02774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28309	0.8
53.03942	2.7
55.01850	1.4
55.05506	2.9
56.96545	1.4
57.03440	11.6
57.07077	0.9
59.04999	8.8
63.02358	1.1
65.03935	1.5
67.05503	1.7
68.05018	1.1
69.03435	2.2
69.07069	2.3
70.66637	2.6
70.66975	1.2
71.04993	6.5
71.08633	78.3
72.08143	0.9
78.04720	3.8
79.05493	13.8
81.07059	37.4
83.04979	3.1
85.06538	5.3
89.03918	46.3
91.05486	7.5
93.07047	6.6
95.04996	2.0
95.06149	1.0
95.08607	1.8
98.98467	3.8
99.08094	21.8
103.05490	3.8
105.07061	3.2
106.04173	6.4
107.05006	1.5
107.08600	5.1
109.02879	2.7
109.06516	29.7
115.05475	1.1
115.07579	1.7
117.03383	81.9
117.06955	2.0
117.09141	27.4
118.03689	1.7
119.08604	1.5
121.02857	1.5
121.06491	4.7
121.10139	7.3
124.05197	1.4
124.62092	1.1
131.01881	1.0
131.04918	2.1
131.08586	3.8
132.08115	1.5
134.03633	11.8
134.07155	1.0
135.04437	8.8
135.08035	2.0
135.11722	3.2
141.09093	15.1
145.02847	100.0
146.03197	3.0
149.02370	3.0
149.05992	35.4
149.09671	1.5
150.10228	1.0
159.11656	2.3
160.07588	4.0
162.03151	4.3
162.06830	1.0
163.03874	3.1
177.05479	32.2
177.09064	6.0
177.11450	2.3
177.12772	5.2
177.16399	2.7
186.05519	1.7
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
56.96560	0.4
67.05492	0.4
70.65134	0.3
70.65493	0.8
77.45502	0.2
77.72634	0.3
79.05489	0.5
80.05025	0.4
83.06104	0.3
88.56975	0.3
91.05476	0.7
92.05025	0.5
93.05785	0.5
93.07051	0.4
105.07058	0.4
107.08595	0.8
110.06056	0.5
115.05425	0.4
117.07024	1.0
118.06545	10.7
119.07333	10.2
132.08070	1.0
134.09654	61.0
135.09975	1.6
137.08240	0.4
160.11197	0.7
162.09167	2.9
163.09935	1.1
178.12271	100.0
179.03468	0.5
179.12643	2.7
190.96141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03937	0.2
55.01863	0.3
55.05506	0.3
57.65123	0.1
63.02372	0.3
63.73135	0.2
65.03951	0.2
67.05489	0.4
68.42236	0.1
69.07057	0.3
71.60583	0.2
78.04733	0.7
79.05492	1.0
81.07034	0.5
83.08609	0.2
89.03917	6.3
90.04262	0.3
91.05479	5.1
93.07047	1.3
95.04961	0.6
95.08615	0.8
97.10231	0.1
98.98454	0.5
103.05493	1.0
105.03373	0.3
105.04538	0.1
105.07011	1.3
106.04162	1.1
106.07803	0.5
107.04939	0.5
107.08576	1.1
107.27918	0.2
109.06498	0.4
109.10132	0.4
115.05457	4.0
116.06252	3.5
117.03381	9.8
117.07021	12.9
118.03677	0.2
118.07330	0.4
119.04939	1.8
119.08578	0.6
120.05677	0.3
121.06505	2.7
121.10126	1.3
129.07031	0.2
131.04942	0.2
131.08617	0.8
133.06493	3.4
134.03676	1.5
134.07275	4.7
135.04486	0.9
135.08080	1.7
135.11641	0.3
144.05714	2.2
145.02846	12.1
145.06502	2.0
146.03185	0.4
146.07222	0.2
147.04332	0.7
147.08035	0.6
149.02431	0.2
149.05978	4.3
149.09616	1.1
157.91209	0.2
159.08081	0.5
159.11641	0.3
161.05984	1.3
162.03125	0.6
162.06766	14.5
163.03920	0.4
163.07094	0.4
175.07574	0.5
177.05804	3.8
177.09105	100.0
177.16356	0.8
178.09457	3.1
186.05504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03938	1.0
53.70286	0.5
55.05518	0.6
56.04219	0.6
56.65266	0.7
56.96564	0.8
63.02378	2.2
70.66577	2.2
77.03939	0.8
78.04715	3.6
79.05493	1.7
89.03918	50.5
90.04221	1.5
91.05490	5.4
93.07053	1.8
95.04958	2.1
98.98453	1.2
103.05460	2.9
105.03403	0.9
105.07054	1.2
106.04168	4.9
107.04985	0.8
107.08582	0.7
117.03380	81.2
117.07037	1.1
118.03711	2.5
119.04934	1.2
121.06512	2.4
121.10143	1.5
122.63367	0.7
124.05211	1.3
128.65047	0.6
131.08580	0.8
134.03632	11.7
135.04436	7.5
135.11707	1.1
135.86328	0.6
145.02847	100.0
146.03159	3.1
147.04343	0.8
149.05988	29.5
150.06332	1.0
158.06027	1.0
159.11682	1.3
160.07593	0.7
162.03156	3.2
163.03900	4.4
163.24210	0.7
165.41609	0.6
177.05478	30.9
177.09070	2.4
177.12738	2.7
178.05954	1.1
186.05473	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02383	0.6
52.25777	0.2
53.03939	0.9
55.01874	0.6
55.05506	1.0
56.96566	3.0
57.07045	0.3
62.01596	0.3
63.02362	1.5
65.03932	0.9
67.05505	1.2
67.62170	0.3
69.03452	0.3
69.07072	1.4
69.34566	2.7
69.86643	0.2
72.47038	0.3
78.04711	4.7
79.05495	3.1
81.03398	0.6
81.07056	3.4
81.69702	0.2
82.07390	0.3
83.08636	0.4
89.03918	47.9
90.04263	0.9
91.05483	7.4
93.07043	4.0
95.04958	2.4
95.08598	2.7
98.98460	1.0
102.03372	0.3
103.05472	2.8
105.03399	0.5
105.04490	0.4
105.07021	1.8
106.04171	8.2
107.04954	0.8
107.08581	3.4
109.06536	0.4
109.10168	0.8
113.54166	0.3
115.05450	0.3
117.03379	81.7
117.07022	1.2
118.03666	1.9
119.04952	1.2
119.08578	0.8
120.08907	0.3
121.02835	0.3
121.06502	3.2
121.10134	4.3
124.05287	1.3
131.04938	0.8
131.08577	1.1
133.05948	0.3
133.10124	0.9
134.03635	11.0
135.04433	7.6
135.07967	0.4
135.11678	1.0
137.09676	0.4
142.06468	1.6
142.56477	0.3
144.56754	0.4
145.02844	100.0
146.03157	3.6
147.04396	0.5
149.02464	0.6
149.05980	27.9
149.09583	0.5
149.13257	0.7
150.06351	0.7
151.07004	0.9
153.57249	0.9
158.05956	1.3
159.11691	1.1
162.03122	2.6
162.06824	0.5
162.57738	0.5
163.03883	2.2
177.05472	29.4
177.09024	3.8
177.12735	2.4
177.16478	1.7
178.05896	0.7
179.03880	0.4
185.04874	0.7
186.05518	3.3
189.68578	0.3
195.50511	0.3
197.04970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46554	0.9
56.96290	1.4
56.96567	27.6
59.86680	0.7
69.95749	4.4
71.95247	1.9
73.28730	0.9
92.88586	0.8
98.97586	86.9
113.13729	0.8
116.98620	100.0
117.03365	1.2
117.99007	1.0
121.01664	1.1
131.01909	3.3
134.99657	77.0
135.03175	2.5
136.00043	1.0
137.02988	0.9
140.00230	1.2
145.02835	1.6
153.00708	13.4
153.04091	0.8
154.03473	2.1
158.01202	1.8
172.94229	4.9
177.00786	2.4
177.04263	2.9
190.95326	7.4
195.01784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98639	0.7
56.96568	18.7
57.03226	0.5
58.99866	0.9
64.10228	0.6
67.05499	0.7
69.07053	0.6
70.45048	1.5
71.95251	2.7
77.00912	1.2
79.05499	0.9
89.03931	1.3
91.05505	1.0
93.07038	1.3
95.04945	0.6
98.21490	0.7
98.97588	71.3
99.97927	0.8
100.02473	0.9
103.00631	1.0
105.02221	1.6
107.08620	1.5
109.02879	0.6
113.00878	0.8
116.98627	93.5
117.03373	1.5
117.98969	1.7
118.03493	1.1
119.01929	4.2
119.08638	0.9
120.02052	0.8
121.01644	3.6
121.10143	1.3
123.03246	1.5
127.26565	0.6
131.01942	5.8
131.08620	0.8
134.01270	0.6
134.03009	1.7
134.99664	100.0
135.03279	7.0
135.11681	0.8
136.00018	2.0
136.02682	1.1
137.02988	1.6
139.02701	1.8
140.00201	1.7
145.02765	1.3
147.03265	1.2
149.03033	1.2
149.06013	1.3
152.04037	0.6
153.00714	25.6
153.04243	2.7
154.01146	0.9
154.03487	3.0
158.01286	2.6
160.04677	0.8
165.04362	0.7
172.04564	2.1
172.95178	0.8
173.02814	0.9
173.04160	1.3
176.02338	0.7
177.00858	2.3
177.04224	6.9
177.05652	1.1
177.09058	0.9
177.12793	0.8
193.78069	0.7
194.18961	0.6
195.01793	0.8
195.04910	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1435
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
53.03960	0.4
55.05519	0.6
56.96587	0.3
63.02404	0.3
65.03982	0.2
67.01123	0.2
67.05499	0.4
69.07070	1.0
69.26151	1.2
69.26576	1.2
70.07428	0.6
77.03925	0.2
77.66006	0.2
78.04705	0.8
79.05510	0.6
81.07047	0.8
83.08621	0.4
89.03918	8.4
91.05486	2.1
92.05813	1.2
93.07056	1.1
95.04989	0.6
95.08620	0.7
98.21612	0.3
98.56284	0.2
98.98463	0.7
103.05486	0.8
105.07026	1.3
106.04194	1.1
106.06670	0.3
106.07379	0.9
107.04961	0.3
107.08601	1.0
117.03380	14.6
117.07006	0.6
118.06544	28.9
119.04945	0.4
119.06760	0.3
119.07469	0.4
119.08564	1.9
120.05273	0.6
120.08119	0.6
120.08900	3.2
121.06506	0.7
121.10137	1.0
124.05177	0.3
130.06525	0.3
131.07297	0.3
131.08559	0.8
132.08087	8.8
133.08861	3.1
133.10124	1.0
134.03645	1.9
134.09619	1.5
134.10487	2.8
135.04411	1.5
135.11705	0.3
145.02847	19.5
146.09633	8.8
146.10756	0.5
147.10497	1.0
147.11476	0.3
148.04752	0.4
148.12080	0.4
149.05972	5.5
159.11681	0.3
160.11200	0.8
161.05580	0.4
161.11900	0.3
162.03102	1.0
163.03979	0.4
176.14320	100.0
177.05467	7.0
177.09058	1.2
177.12744	0.6
177.14655	4.4
177.16226	0.5
186.05537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
52.99353	0.2
55.05513	0.3
56.21964	0.2
56.96577	1.2
57.03438	0.4
58.06607	0.3
60.04527	0.3
60.05653	14.2
60.99776	0.2
65.16804	0.2
68.05048	0.3
69.03449	0.3
70.06596	100.0
70.59280	0.4
71.04993	1.1
71.06924	0.9
72.08161	4.3
72.61667	0.2
73.15460	0.2
84.08144	1.9
85.02930	0.3
87.04471	0.2
88.07645	0.5
91.05490	0.7
97.02892	0.2
97.07675	0.6
98.06060	0.9
98.97618	0.4
98.98471	0.8
112.07612	31.4
112.08698	1.5
113.07925	0.4
114.10271	0.2
115.08716	1.3
116.07099	16.9
116.72643	0.2
117.07403	0.2
117.72934	0.2
118.08672	0.4
119.01887	0.5
119.08591	0.3
129.10219	1.3
129.11076	0.3
130.08658	0.7
130.09763	4.9
132.04370	0.2
139.03912	0.3
142.04851	0.3
147.04424	0.3
157.07594	0.2
157.10841	0.4
158.08127	0.4
158.09265	2.9
163.02681	0.2
175.04527	0.4
175.10722	1.3
175.11917	7.9
175.14406	0.4
178.55110	0.2
193.00266	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	176.0108
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68342	0.6
68.20248	0.7
69.79583	3.4
69.79995	1.7
102.90791	0.6
132.02115	100.0
133.02438	1.2
150.03183	1.5
176.01097	21.6
180.80148	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01882	0.8
55.05516	1.0
56.96575	2.1
57.03439	100.0
58.03759	1.1
65.03951	0.8
67.05518	1.7
69.03439	1.1
69.07049	1.8
70.06598	1.6
70.23130	2.8
79.05502	2.0
81.07045	1.5
83.04961	0.8
91.05479	12.2
92.90439	1.0
93.07057	1.8
95.04948	1.4
95.08607	1.6
98.20824	0.9
98.98470	16.9
105.07037	8.2
107.04962	1.0
115.03951	1.0
115.05421	0.9
117.07029	3.6
117.18835	0.7
119.04955	1.0
119.08581	56.3
120.08868	1.2
128.02773	0.6
128.06189	0.7
129.07001	2.0
130.06480	0.8
131.08557	1.9
133.06480	1.4
133.10158	11.5
142.07774	3.4
142.97382	1.0
145.06438	0.9
146.07312	1.3
147.04384	2.5
147.08052	3.9
147.11687	4.8
151.94009	2.2
157.04228	1.0
157.10121	2.6
160.08780	1.3
175.07570	2.3
175.11189	35.1
175.14777	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	175.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10556	0.3
56.96564	1.7
60.05650	33.6
67.05505	0.4
70.06593	100.0
70.40684	1.1
71.04996	1.9
71.06927	1.1
72.08150	4.3
74.00311	0.3
74.97616	0.4
84.08145	13.1
85.06526	0.5
85.08511	0.3
86.59631	0.2
88.07619	0.4
97.07665	0.7
97.58895	0.3
98.06089	0.5
98.20758	0.3
98.97583	1.3
102.52795	0.2
112.08736	3.8
113.63459	0.3
114.10313	0.6
115.08724	0.8
116.07095	24.1
116.98624	0.7
117.07368	0.3
130.08662	3.8
130.09772	12.0
130.12257	1.9
134.99689	0.4
157.10870	1.3
158.09251	6.0
173.61296	0.3
175.04550	0.5
175.11911	18.3
175.14188	2.0
176.12245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11863	0.7
51.47899	0.8
55.01857	1.2
55.05505	1.9
55.62693	0.7
56.05017	1.2
56.96300	1.2
56.96566	19.1
56.96845	1.3
57.03419	2.9
58.06563	0.7
58.52644	0.7
59.04856	3.7
59.89053	0.7
60.04522	1.4
60.05651	31.8
60.05961	1.7
61.02922	1.6
65.03939	0.9
67.05482	1.2
69.03439	5.5
69.07059	1.4
69.87610	4.8
70.03750	0.8
70.06594	100.0
70.98119	0.8
71.04995	1.9
72.08154	14.6
72.93789	1.0
73.02913	1.2
74.02419	1.1
74.97609	0.9
81.03401	1.5
83.04970	1.4
84.08141	5.1
85.02901	4.4
85.05165	4.1
86.05974	2.3
86.09708	1.0
87.04473	1.3
88.07588	1.3
90.01515	1.0
91.03985	0.8
91.05476	2.9
95.04966	1.6
96.18089	0.7
97.02886	5.5
98.06028	1.6
98.97577	6.4
98.98476	9.5
99.04466	1.2
101.00836	0.8
103.02389	0.8
104.07104	1.7
105.07037	1.2
106.04118	0.8
111.04414	1.8
111.09991	1.6
112.02879	0.9
112.07607	9.3
112.08730	4.2
112.11259	3.7
113.04611	10.5
114.05445	1.4
115.08700	1.4
116.07097	28.8
116.97219	1.2
116.98631	6.3
118.08641	1.3
119.01936	4.2
119.04962	1.6
119.08558	2.9
121.03460	1.4
121.05138	1.5
125.75465	0.8
127.03945	1.0
128.98653	1.5
129.10228	2.4
130.06534	12.1
130.08659	2.2
130.09756	9.7
130.12263	1.1
131.01857	0.9
132.02571	0.9
132.04454	12.2
133.03439	3.8
133.10124	0.9
134.99651	4.3
135.06778	0.8
137.02924	1.5
139.03937	1.2
142.04865	65.5
142.96547	1.2
145.01695	1.1
145.03450	0.9
146.99637	1.2
147.04407	1.1
148.06186	8.1
149.01227	0.9
150.96899	1.2
151.04527	2.1
151.97139	1.2
157.07625	4.3
157.10788	1.6
158.06039	13.9
158.08113	1.6
158.09239	6.8
158.11777	1.6
158.99619	1.1
160.97649	1.2
163.02792	2.0
163.04422	1.3
175.04619	8.7
175.07303	11.7
175.08711	3.2
175.11948	19.9
175.14697	2.3
176.05748	1.0
177.00713	2.3
181.03839	2.3
184.04947	1.7
193.00285	1.3
194.19505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1078
Annotation	N(5)-Acetyl-L-ornithine
Peak:m/z	Relative Intensity
56.96561	0.6
58.06589	0.4
60.05644	9.8
67.64700	0.2
68.05031	0.2
70.06588	100.0
71.04283	0.4
71.04989	0.8
71.06916	1.1
72.04533	0.2
72.08154	2.2
73.02953	0.3
78.69112	0.2
84.08142	1.7
85.02834	0.2
87.04482	0.2
88.07636	0.5
91.05472	0.3
94.06563	0.3
96.26140	0.2
97.02888	0.3
97.07698	0.3
98.06049	1.6
98.97586	0.3
98.98444	0.4
99.04469	0.2
103.03382	0.2
112.07600	36.5
112.08809	0.9
113.07956	0.5
115.08708	1.4
116.07084	15.5
119.01826	0.2
129.10239	2.1
130.08633	0.9
130.09750	3.5
130.12311	0.2
132.02103	1.4
132.04445	0.2
132.10234	0.2
141.06575	0.2
141.88573	0.2
157.10826	0.3
158.08066	0.5
158.09221	2.3
160.33861	0.2
175.04515	0.3
175.10690	1.3
175.11986	5.5
176.01073	0.4
176.09070	0.3
183.26909	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	174.1489
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
51.50592	0.5
53.03948	0.6
55.01877	3.3
55.05508	19.4
56.05044	2.2
56.05864	1.5
56.96555	2.9
57.03440	5.2
57.07067	3.4
58.06596	0.5
59.04994	0.8
59.06134	0.9
60.04532	1.3
65.03942	2.7
67.05505	5.3
68.05037	0.8
69.03444	2.0
69.07066	38.1
70.06591	4.5
70.07400	0.6
70.82365	0.5
70.95874	2.0
71.05007	1.3
71.08606	0.6
72.04522	0.9
72.08150	1.3
72.93778	3.4
73.02914	0.5
73.06559	1.1
76.02233	1.0
77.03915	0.5
79.05497	8.6
81.07051	8.0
82.06603	0.5
83.04982	7.1
83.08601	1.2
84.04506	1.3
84.05318	1.8
84.08165	0.8
85.02906	0.8
85.05172	0.6
86.06068	1.6
86.09747	0.6
87.04482	1.3
88.04000	1.2
88.96899	0.9
89.03933	1.7
90.94835	2.6
91.05478	24.4
93.07041	14.6
94.07337	0.6
95.04955	0.9
95.08599	9.7
97.02895	1.6
97.06539	6.0
97.07642	0.6
97.10164	11.7
98.06063	0.7
98.97814	0.8
98.98460	7.2
99.05582	0.6
100.07626	1.0
101.05975	2.6
102.06362	0.8
105.07025	6.9
106.07271	0.6
107.04984	0.7
107.05939	0.5
107.08598	2.3
108.95894	1.2
109.10158	0.7
110.09628	0.5
111.04467	1.2
111.11707	2.7
111.98488	1.5
112.04790	1.6
112.07597	1.2
113.04635	0.9
114.05499	1.7
115.03868	0.7
115.05458	1.2
116.07097	1.2
117.07017	1.6
118.06551	1.9
119.04932	11.5
119.08575	22.1
121.06488	1.7
121.10136	8.7
126.06684	1.0
128.05016	0.7
128.07082	1.4
129.03445	0.7
129.05528	0.8
129.06978	1.5
129.99495	1.3
130.05751	1.0
130.06570	0.9
130.07370	0.7
131.07306	0.6
131.08571	2.4
131.97444	0.8
131.99722	0.9
132.04431	1.3
132.05699	1.0
132.06638	0.7
132.08031	1.2
132.08931	1.3
132.95839	4.5
133.06424	2.0
133.10123	10.4
134.99706	1.2
135.04465	0.6
135.08034	2.4
135.75951	0.6
138.12791	2.7
139.11172	5.0
142.04852	5.5
142.07776	2.0
145.06488	4.4
145.10109	0.8
146.06009	8.6
146.07097	1.2
146.08130	1.2
146.10448	0.6
147.04410	8.5
147.08041	4.1
147.11696	8.4
148.08745	0.7
150.96878	13.3
155.97403	1.5
156.07376	1.8
156.13834	100.0
157.03970	1.1
157.10109	2.3
157.14203	4.1
158.06004	0.6
158.09615	0.6
159.08017	1.2
160.05267	1.2
160.08833	18.4
167.07060	1.6
167.97194	0.8
173.98474	1.9
174.05423	3.4
174.07674	1.6
174.08925	1.1
174.12741	2.5
174.13583	1.4
174.14888	26.3
175.03859	3.5
175.07576	4.5
175.11168	39.6
175.14787	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	171.0653
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03946	0.9
55.01868	2.6
55.05513	3.5
65.03942	27.5
67.05493	2.1
68.02648	0.5
68.99792	8.1
69.03440	1.9
70.06601	0.5
70.65096	0.7
70.65469	0.6
70.94261	0.4
71.01355	0.7
72.04517	1.4
78.83054	0.3
79.01848	0.6
79.05473	0.4
81.03419	4.8
83.01347	0.6
83.04984	13.0
89.07153	0.6
93.03413	6.4
95.04984	0.5
96.02129	1.1
97.02889	1.3
100.07632	0.7
109.02895	0.6
111.04443	97.4
112.04797	1.5
121.02882	1.4
121.03991	6.1
122.96327	0.3
125.02328	0.5
127.03929	1.0
127.57806	0.3
128.04295	0.4
137.67407	0.3
138.03380	0.4
139.03903	100.0
140.04195	2.0
146.99707	0.4
147.96924	0.6
153.01828	0.4
153.12599	0.3
156.03801	0.9
157.01373	0.5
165.59785	0.3
165.97932	0.6
171.02759	0.4
171.06535	5.5
171.11346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
51.85143	0.6
53.86135	0.6
55.01860	1.2
55.05512	10.3
56.96552	2.8
57.03428	1.7
57.07075	1.0
67.05496	2.3
69.03422	1.0
69.07059	3.4
70.94269	1.2
71.61118	0.8
72.04516	21.2
73.02907	1.2
75.31902	0.7
79.05491	2.5
81.03422	1.1
81.06628	0.7
81.07057	1.5
83.05013	0.8
83.08627	5.6
84.04531	0.9
88.95302	1.3
89.07156	15.5
91.05491	9.1
93.05790	0.8
93.07047	1.7
94.06085	0.7
97.10139	1.5
103.05451	0.7
104.70317	0.6
105.07036	4.1
105.61605	0.7
107.08599	1.3
110.01318	0.7
111.04453	1.7
115.05460	4.0
116.98653	1.0
117.07001	5.6
119.01791	0.9
128.06218	15.0
129.07002	69.7
130.07692	3.0
131.08559	2.3
139.03893	2.1
141.06955	4.9
142.07768	4.7
143.08560	39.7
144.08932	1.5
145.06465	1.0
148.53596	0.7
156.09349	13.7
169.10118	2.0
171.05484	1.7
171.08073	2.5
171.11684	100.0
171.14845	12.2
172.09703	0.9
172.12077	4.0
172.16936	1.3
176.89101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.35543	0.5
53.03938	0.8
55.05510	22.6
56.96563	5.1
57.03429	1.8
57.07076	1.9
58.07430	0.6
59.05003	2.7
65.03944	0.7
67.05499	4.0
69.03434	0.9
70.98109	0.7
71.34483	0.5
71.36622	1.1
71.36958	1.0
71.93027	0.7
72.04527	0.6
72.93789	14.2
73.02910	0.7
74.06057	0.6
78.36328	0.5
79.05494	2.5
81.07066	4.3
83.04977	24.3
83.55795	0.6
85.06561	0.7
86.06036	0.6
87.04469	2.3
88.07623	2.5
89.02402	1.8
89.07927	1.5
90.90372	3.6
90.94823	9.9
91.05479	11.2
91.06005	0.8
93.07040	1.8
94.90225	0.7
97.02878	0.8
99.04465	1.1
101.06020	16.7
102.09177	0.9
103.03313	1.5
103.05457	0.8
103.09534	0.7
105.07029	14.2
108.95859	6.4
109.39554	0.6
111.04435	15.9
113.06010	2.7
113.96363	2.9
115.05462	2.7
116.06230	3.2
116.85548	0.6
117.07012	8.5
118.06534	1.3
119.08572	15.6
120.05128	0.8
122.04920	0.8
124.93707	0.8
125.96113	0.6
127.07572	3.1
128.06216	1.8
129.05507	15.1
129.06987	11.3
130.06512	1.1
130.07820	3.4
131.08565	82.4
131.97426	2.4
132.08910	1.7
133.10086	3.0
135.05707	1.0
139.06999	0.8
142.07697	1.5
143.05385	1.3
143.08553	25.3
144.09373	8.0
145.06497	2.0
145.07619	1.2
145.10115	31.3
146.06009	0.9
149.94016	2.2
149.96118	4.2
150.06213	2.7
150.96884	1.7
155.07043	16.3
155.08301	0.9
156.09364	1.5
157.10107	1.1
158.07281	2.5
158.10913	38.3
159.11583	2.0
161.56961	1.0
167.94991	1.2
167.97169	5.9
171.11679	2.8
173.05901	0.9
173.08109	24.2
173.09644	9.9
173.13257	100.0
173.17307	7.1
174.05525	0.7
174.13605	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
54.03465	0.8
54.03691	0.4
55.01857	1.2
55.05501	1.4
55.93547	0.4
56.05027	2.0
56.96563	5.7
57.03427	0.9
58.06585	1.4
58.94088	0.4
59.06112	1.4
60.04514	1.1
63.22639	0.5
65.03928	0.8
67.05492	1.2
68.05019	1.7
68.99799	0.6
69.03422	1.5
69.04539	1.1
69.07065	1.4
70.06588	8.6
70.42563	0.7
70.42944	0.9
70.94247	1.6
71.04967	0.7
71.06094	0.4
71.41788	0.5
72.04505	1.7
72.08138	1.4
72.93774	2.2
72.97398	0.4
74.65771	0.4
79.05479	1.6
80.04996	0.8
81.03409	0.9
81.04536	0.7
81.07042	1.4
82.03737	0.7
82.06570	1.1
83.04981	1.2
83.06094	2.6
83.08598	0.9
84.04491	2.1
84.08128	1.3
85.02890	1.4
85.04028	0.7
85.07659	0.9
86.06064	2.0
86.09694	0.5
88.95287	1.8
88.96877	0.6
89.07156	1.0
90.94824	0.9
91.05466	0.4
92.04998	1.5
93.05774	1.8
93.07030	0.7
94.06569	0.6
95.04926	0.5
95.06091	1.7
96.04472	1.1
96.06852	0.6
96.08139	2.2
97.02884	1.8
97.06536	0.7
97.07645	1.9
98.06044	1.0
98.07176	0.7
98.97569	0.5
99.05571	1.9
100.07626	0.5
106.96321	1.5
107.06099	0.7
109.02874	1.3
109.07623	2.2
109.10126	0.6
110.03164	1.1
110.06067	4.0
110.07149	0.9
111.00831	0.6
111.04416	2.3
111.05551	1.4
111.08027	0.8
111.09196	2.3
112.04783	0.7
112.07574	0.8
112.09496	1.0
113.07137	0.7
114.05524	0.8
115.05450	44.2
116.04972	0.8
116.05784	1.2
116.98639	1.3
118.81097	0.4
121.02877	3.2
123.05528	0.5
124.03918	0.5
124.07584	5.9
124.11235	4.8
125.02335	0.6
125.05936	0.4
125.07092	2.6
125.09653	0.5
126.10252	0.6
127.03860	1.4
127.04994	0.5
127.08676	1.5
128.07069	0.8
128.08154	0.6
128.95088	0.6
128.98586	0.8
129.06557	0.7
134.06010	1.6
134.99648	1.0
135.05554	0.6
135.09142	0.7
139.03880	1.8
140.04955	0.6
140.08228	0.5
141.05464	0.9
142.06560	26.9
142.08379	0.9
143.05946	0.6
143.06909	1.0
144.08018	0.6
146.03624	0.4
146.96120	1.5
146.97336	1.5
146.99661	1.2
147.96898	3.0
152.03331	0.4
152.07059	2.9
152.08185	1.1
152.11765	0.6
153.01823	0.8
153.05421	0.6
153.06595	0.5
153.10252	1.6
154.09764	0.5
155.03354	1.6
157.01340	0.7
160.07515	0.7
164.98347	1.1
165.97958	3.0
170.06009	100.0
170.08113	3.0
170.09531	5.7
170.11649	6.1
170.12933	1.8
170.15346	0.8
171.02898	1.2
171.05478	2.3
171.06467	2.1
171.11328	0.7
187.02783	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0973
Annotation	Pyridoxamine
Peak:m/z	Relative Intensity
53.03954	1.8
54.03460	3.5
55.01863	2.6
55.05489	3.0
56.05045	1.0
56.96304	1.0
56.96568	17.5
57.03420	3.4
57.07075	1.1
61.02915	3.0
64.81810	0.7
65.03931	3.1
67.05511	5.4
68.05021	1.9
68.99771	1.7
69.03416	3.2
69.07059	1.7
70.06589	2.4
70.72016	1.6
71.01329	1.0
71.04986	3.1
73.02916	1.5
75.00998	0.8
77.00954	0.9
79.05495	5.4
80.04997	2.0
81.03419	7.3
81.07050	7.5
82.03770	0.8
82.05328	1.7
82.06570	2.8
83.04978	2.3
83.06112	6.1
84.01572	7.1
84.04486	1.8
85.02917	5.7
86.06041	0.9
87.04442	1.0
91.02310	0.9
91.05470	2.3
92.05012	1.2
93.02081	6.2
93.05791	2.1
93.88585	0.9
94.06552	1.0
95.01891	0.8
95.04986	3.9
95.06108	2.0
95.08604	3.3
96.04494	1.7
96.08117	3.4
97.02882	2.5
97.06529	1.7
98.01254	1.1
98.06055	3.9
98.97549	1.9
99.04449	1.9
100.99136	1.0
101.00830	1.4
103.02497	0.8
104.60464	0.7
106.06558	8.3
107.04964	1.3
107.08610	1.2
108.02040	0.9
108.06857	1.0
108.08125	5.1
109.02216	1.2
109.02892	12.1
109.06516	2.3
109.07632	2.1
109.10167	1.3
110.01312	0.9
110.06046	17.0
111.00813	8.2
111.02059	1.0
111.04472	5.9
111.06870	0.9
113.02376	1.4
113.07136	11.8
113.96403	0.8
114.05547	1.2
116.98615	1.4
118.01009	1.3
119.00201	1.0
119.01923	10.6
122.08423	1.4
123.00781	2.9
123.04459	4.2
123.08244	2.2
123.09194	57.9
123.11724	1.2
124.07581	6.5
124.09531	1.1
125.05986	1.3
125.10756	41.6
126.03149	11.2
127.03922	2.0
128.02361	0.9
128.07063	1.0
131.00151	1.7
133.02803	1.8
133.07614	3.0
134.06032	8.5
134.99654	1.3
137.02953	3.5
138.06717	1.5
141.05472	27.7
141.10214	4.4
142.08617	1.1
145.03459	1.3
146.99632	2.1
149.01222	7.3
151.03938	2.7
151.07558	1.8
151.08659	35.8
152.03366	0.7
152.07059	13.1
154.02586	2.7
155.05385	0.9
165.00726	1.0
167.02295	5.3
169.04965	11.6
169.09734	100.0
170.05740	1.3
170.08109	3.4
170.09918	2.6
186.51355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03931	2.7
55.01858	2.8
55.05510	5.9
56.05028	1.9
56.55044	0.7
56.96565	5.8
57.03424	2.3
57.07057	1.1
58.06596	1.6
59.06121	4.6
62.86323	0.7
63.40041	0.9
65.03949	7.2
67.01855	4.0
67.05502	8.0
68.05013	2.0
68.99789	7.6
69.03419	2.6
69.07063	4.1
70.06592	6.5
70.84811	1.9
71.01363	1.1
71.04974	3.5
71.06913	2.7
71.07317	1.4
72.04523	0.8
72.08153	4.5
72.68987	0.8
77.74265	0.7
79.05488	3.5
81.02967	1.4
81.03417	15.5
81.04552	1.3
81.07056	10.3
82.06571	2.8
83.01289	1.0
83.04986	4.8
83.06087	2.7
83.08605	0.8
84.08155	5.5
84.91134	0.7
85.02900	5.4
85.06555	2.1
85.07649	1.4
86.06049	1.3
86.08456	1.6
91.05479	1.7
93.03378	0.9
93.05750	1.0
93.07027	1.6
94.06563	2.5
95.01385	0.9
95.04964	10.6
95.08595	7.7
96.04430	1.0
96.08107	1.6
97.02875	3.0
97.06532	1.9
97.07643	1.6
98.03690	4.1
98.06080	1.3
98.07189	1.7
99.04444	2.9
99.08093	0.8
105.07005	1.9
107.08605	3.2
108.02104	0.8
108.04519	0.8
109.02879	34.6
109.06525	6.8
109.07644	4.5
109.08296	0.9
109.10149	6.8
110.03739	0.9
110.06053	1.7
110.07153	3.7
110.07809	0.9
111.00802	24.5
111.03809	0.9
111.04444	13.4
111.05162	1.0
111.05547	2.0
111.08041	3.4
111.09200	17.7
112.07595	1.2
112.08749	1.1
113.06020	1.4
113.07130	0.7
113.10770	1.0
115.05446	1.8
119.95198	1.1
121.02841	0.9
123.00785	1.9
123.04424	30.2
123.08072	6.1
123.08965	1.0
123.11725	4.5
124.04864	0.8
124.07583	2.8
124.08680	4.1
125.06010	4.6
125.09617	1.0
125.10706	1.1
126.03134	33.0
126.05546	0.9
126.06641	0.8
126.10268	1.9
126.70906	0.9
127.03925	16.6
127.07561	1.3
128.08162	1.2
137.02307	1.1
138.06735	1.1
139.03818	1.1
140.26587	0.9
141.05458	92.4
141.29291	0.9
142.05818	2.6
146.96094	1.2
151.03899	43.0
151.07547	2.2
151.08646	1.3
151.11168	1.7
152.04332	2.2
152.07045	2.2
152.08183	2.9
152.11771	1.0
154.02614	4.7
154.07800	1.5
155.03400	7.1
163.97684	2.0
169.04967	100.0
169.07553	11.5
169.08636	3.8
169.09888	3.7
169.12181	1.5
169.14514	2.9
170.05698	7.6
170.08083	2.9
170.09537	3.0
181.98758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03935	0.7
55.01856	1.1
55.05499	1.2
56.05019	0.9
56.96547	1.5
59.06115	1.4
65.03928	1.6
67.01871	4.5
67.05509	4.4
68.05013	0.8
68.99783	4.5
69.03429	0.4
69.07043	0.9
69.90110	2.4
70.06596	3.1
70.48630	0.3
71.04974	1.2
71.06905	1.2
72.08129	1.1
72.50170	0.4
79.05470	1.3
81.03419	3.2
81.07059	2.4
83.04971	1.8
83.06093	0.9
84.08134	1.0
85.02913	2.3
85.06543	0.6
85.07661	0.6
85.94615	0.5
86.06050	0.6
91.05424	0.5
94.06582	0.5
95.04976	6.9
95.08588	1.2
96.08129	0.6
97.02885	0.5
97.06541	0.5
97.07659	0.5
98.03664	0.8
98.07113	0.5
105.06980	0.6
107.08606	0.5
108.02073	0.5
109.02889	6.7
109.07642	1.3
109.10166	1.0
110.06051	0.6
110.07206	0.7
111.00795	4.4
111.04463	2.0
111.09203	4.9
113.10693	0.6
113.26937	0.5
115.05502	0.5
122.02383	0.8
123.04430	34.9
123.08041	1.6
123.09200	0.4
123.11675	0.6
124.04776	1.2
124.07611	0.7
124.08734	0.5
125.06034	0.6
126.03130	6.2
126.10257	0.8
127.03917	11.8
137.02367	0.5
141.05460	14.8
151.03902	56.5
151.11096	0.4
152.03413	1.4
152.04387	1.0
152.07056	0.6
152.08192	1.0
154.02615	0.6
163.97723	0.6
169.04967	100.0
169.07576	8.0
169.14417	0.5
169.16975	0.6
170.05507	2.5
170.09506	0.5
174.92918	0.4
189.00175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00352	0.2
53.03943	0.6
56.05024	0.3
56.96552	0.5
67.05505	0.3
67.28017	0.1
68.05022	0.4
69.03416	0.2
69.07060	0.6
69.62088	0.9
69.62509	0.3
70.06610	0.5
72.08152	0.2
80.05013	1.5
81.03413	1.2
81.04536	0.2
81.07034	0.2
82.06572	0.4
82.94866	0.1
83.06089	0.3
84.04520	0.3
84.08139	0.2
85.02908	0.2
86.06036	0.2
88.00396	0.2
92.05001	10.6
94.06562	0.4
95.01328	0.7
95.04971	0.3
96.04489	0.3
96.08140	0.3
97.02909	0.3
97.06541	0.1
97.07656	0.4
98.06046	0.3
99.71548	0.1
106.06567	0.2
107.04970	0.2
107.06091	0.2
108.04477	3.6
109.02876	1.5
109.07623	0.8
110.06048	0.4
111.00819	0.4
111.04466	0.4
111.05578	0.2
111.09182	0.3
114.28510	0.2
122.06022	0.4
123.04424	0.6
123.09177	0.2
126.03137	0.6
126.05542	0.8
126.06428	0.2
127.03909	0.2
133.02881	0.2
133.07585	0.2
136.03912	1.2
140.07094	0.2
141.05475	1.7
144.95819	0.2
150.05482	0.6
150.10170	0.2
151.03938	0.3
151.08638	0.3
154.04984	100.0
155.05331	2.5
156.05418	0.2
162.05243	0.2
162.95810	0.2
163.97661	0.2
168.06493	8.4
168.11348	0.5
169.05013	0.6
169.07014	0.3
169.13356	0.2
174.04373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03151	0.3
53.03949	1.5
53.48709	0.2
54.94162	0.2
55.01855	0.2
55.05496	0.5
56.02236	0.3
58.33496	0.2
65.03928	0.5
66.04710	1.0
67.01850	0.3
67.05492	0.9
68.99805	0.2
69.29165	2.2
71.04994	0.2
72.97215	0.3
73.98032	0.2
75.71127	0.2
77.03908	0.3
78.04712	14.0
79.05067	0.3
79.05491	5.7
81.03402	0.8
81.07047	1.0
82.06590	0.3
83.04967	0.4
83.06070	0.3
91.05495	1.5
91.71886	0.2
92.02621	0.4
93.03414	0.7
93.07060	1.4
94.04182	0.8
95.04972	3.1
96.05752	1.1
97.06512	0.4
105.03394	0.9
105.04467	0.3
106.04172	5.5
107.04965	3.2
107.08578	0.4
109.02884	1.3
109.06492	0.6
109.07628	0.5
110.03632	0.2
111.09253	0.3
121.01659	0.3
121.02904	0.6
121.06480	0.9
121.10098	0.5
122.03641	2.0
123.04428	27.0
123.08051	0.4
124.05232	7.5
125.06013	0.4
134.03612	1.2
135.04404	0.7
137.02356	0.6
137.05998	1.2
138.03146	0.5
141.04861	0.2
141.36502	0.2
149.09605	0.4
150.10313	0.6
151.03902	5.2
152.04691	5.1
159.89961	0.2
167.07036	100.0
167.62473	0.2
168.04173	0.7
168.07378	2.9
171.83395	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02391	0.4
52.03157	0.3
53.00309	0.3
53.03944	1.0
55.01860	0.6
55.05502	0.9
56.96558	0.2
57.03438	0.4
59.25413	0.2
60.45267	0.2
60.87667	0.2
65.03942	2.3
66.04725	0.8
67.05503	1.6
69.03432	0.5
69.07064	1.2
69.45991	1.8
71.04996	0.8
77.03926	0.4
78.04710	14.6
79.05058	0.4
79.05490	6.0
79.67921	0.2
81.03423	0.8
81.07059	2.3
82.04215	0.3
83.01346	0.2
83.04980	0.9
83.08619	0.4
84.96046	0.2
85.02901	0.3
87.46782	0.2
91.05476	1.2
93.03409	1.9
93.07049	2.0
94.04199	0.9
95.04980	3.8
95.08607	1.7
96.05746	1.2
97.02888	0.3
97.06528	0.7
105.03378	1.4
105.04512	0.6
105.07034	0.5
106.04176	6.8
107.04976	4.2
107.08598	2.2
107.71239	0.3
109.02881	1.7
109.06514	0.8
109.07653	0.3
109.10187	0.4
111.04446	1.0
111.08075	0.6
111.09268	0.2
120.02017	0.2
121.01681	0.5
121.02895	1.1
121.06503	1.0
121.10146	1.9
122.03648	2.0
123.04431	29.3
123.08049	0.5
124.05228	8.8
125.02344	0.3
125.06011	0.7
125.08218	0.2
125.09650	0.3
134.03621	1.5
135.04449	1.1
137.02347	0.5
137.05972	1.2
138.03143	0.5
139.02682	0.5
139.07558	0.4
144.03258	0.3
149.02391	1.0
149.05969	0.2
149.09621	0.7
149.13338	0.4
150.02838	0.2
150.10359	0.3
151.03903	5.3
152.04683	5.5
153.05078	0.3
159.62108	0.2
165.05469	0.5
167.03391	1.7
167.07037	100.0
168.04167	0.9
168.07394	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	166.0863
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02366	0.1
53.03926	0.1
67.21395	0.1
69.83765	0.6
77.03931	0.2
79.05492	1.8
91.05476	1.1
93.07045	3.3
94.06600	0.1
94.07404	0.2
95.04962	0.4
103.05464	13.6
104.05779	0.4
107.04954	2.2
107.06044	0.1
118.06539	0.2
119.07298	0.1
120.08102	100.0
120.72368	0.1
121.07665	0.2
121.08441	2.4
123.04421	0.1
128.33461	0.1
131.04927	2.0
143.03685	0.1
149.06000	0.4
166.08635	0.7
167.06973	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	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03931	2.8
55.01857	3.5
55.05317	0.7
55.05511	7.5
56.96557	3.3
57.03442	6.3
57.07077	1.6
57.46062	0.8
62.04530	0.8
64.71721	0.8
65.03938	2.9
67.05505	32.3
69.03437	6.0
69.07066	9.7
70.01372	2.3
70.01785	2.0
70.93752	0.7
71.04990	2.0
72.45865	0.8
73.77763	0.8
77.03893	0.8
79.05494	31.8
81.03403	2.4
81.07056	86.7
81.37688	0.8
82.07407	2.1
83.04976	8.3
83.08611	2.1
83.93038	0.9
85.06541	3.9
91.05481	36.2
92.05804	0.8
93.07043	34.6
95.04973	13.5
95.08609	26.4
97.06528	10.5
99.08087	1.5
100.02480	2.2
101.00874	8.7
101.02551	2.3
102.00959	1.4
102.02242	2.8
103.05464	1.1
105.07035	55.0
106.07356	1.9
107.04906	0.8
107.08594	20.5
109.06523	16.9
109.10151	5.4
117.07011	2.0
118.03522	1.3
119.01924	100.0
119.03659	2.9
119.04929	3.2
119.08580	46.7
119.96186	0.9
120.02000	6.6
120.03246	1.6
120.08091	1.7
120.08907	2.0
121.06540	1.0
121.10146	44.7
122.10490	1.1
123.04456	1.6
123.08083	9.6
123.11705	8.7
124.02430	2.5
133.02805	1.1
133.06853	0.8
136.08826	1.0
137.02959	48.3
137.05971	2.4
137.09613	2.6
137.13248	2.4
137.98383	2.1
138.03075	4.7
142.03499	65.2
142.96693	6.1
143.03629	5.2
144.07370	1.1
147.04359	5.0
147.11688	72.9
148.12038	3.9
160.04562	30.0
161.04726	2.0
164.26961	0.9
165.01794	1.3
165.05301	6.5
165.07730	1.2
165.09068	6.1
165.12753	72.5
166.05048	2.0
166.13124	3.7
183.06160	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
50.11515	0.7
53.03954	2.6
55.01863	3.5
55.05511	8.4
56.96564	7.9
57.03437	6.0
65.03931	1.8
67.05505	42.2
68.05846	1.5
69.03432	5.9
69.07068	8.2
70.67406	1.4
70.67776	1.5
71.05008	1.9
77.03890	0.9
79.05496	37.4
80.05025	0.8
81.03432	1.0
81.07058	79.7
82.07392	2.9
83.04984	9.0
83.08614	1.5
84.56148	0.7
85.06544	5.4
91.05482	37.8
92.05834	1.4
93.07044	38.2
94.07426	0.9
95.04971	12.2
95.08606	24.0
97.06534	10.2
99.08128	1.7
101.00890	2.4
101.02570	0.8
105.07030	72.3
106.07347	1.9
107.04965	1.2
107.08598	23.8
108.08939	0.9
109.06524	15.3
109.10157	7.0
110.03117	0.8
117.07063	1.2
118.03534	1.0
119.01054	1.0
119.01241	0.6
119.01920	31.9
119.04961	2.9
119.08584	55.0
120.02036	1.7
120.08113	1.5
120.08923	2.2
121.10144	57.5
122.07308	1.3
122.10477	2.1
123.08074	10.6
123.11697	9.6
124.07637	1.4
130.04628	0.9
133.02873	2.2
134.04907	2.2
137.02960	15.6
137.05962	2.0
137.09619	6.9
137.13274	1.6
138.03094	1.6
139.93373	0.9
142.03494	16.0
142.96693	2.4
143.03688	1.6
143.05437	8.2
145.10127	2.1
145.55568	0.7
147.04390	5.9
147.11690	100.0
148.12048	5.2
152.05969	3.4
154.56210	1.8
160.04555	6.6
161.04623	1.3
165.05377	2.1
165.07799	1.9
165.09114	7.3
165.12758	82.1
166.04979	0.8
166.13159	4.1
178.19403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	0.6
53.03962	2.4
55.01876	3.8
55.05516	9.2
56.96571	6.9
57.03445	7.2
57.07085	1.4
57.20789	0.6
59.42394	0.6
65.03947	2.3
67.05508	40.3
69.03425	6.0
69.07070	9.9
71.04999	2.2
71.59615	0.8
71.60017	1.0
71.95283	0.9
73.96463	0.6
77.03892	0.7
79.05497	38.0
80.05824	0.8
81.03438	1.3
81.07061	79.8
82.07391	2.4
83.04985	9.6
83.08619	1.5
85.06541	5.4
89.54263	0.6
91.05486	45.0
92.05829	1.6
93.07047	43.5
94.07384	1.0
95.04379	1.0
95.04971	14.8
95.08611	26.5
96.08946	1.0
97.06532	10.9
99.08100	1.7
100.02519	1.1
101.00865	3.5
101.02596	1.0
102.02212	1.1
103.05437	1.5
105.07035	70.6
106.07375	3.0
107.04944	1.0
107.08597	24.6
107.09306	1.3
109.06518	17.1
109.10161	7.8
111.08098	0.9
115.03400	0.6
117.07045	1.6
119.01929	34.0
119.03708	1.5
119.04933	3.3
119.08587	57.9
120.02017	2.2
120.03283	1.0
120.08116	1.6
120.08887	1.2
121.06549	0.8
121.10149	63.2
122.07243	1.6
122.10473	2.3
123.06677	0.8
123.08089	10.9
123.11701	10.0
124.02451	1.2
124.04964	0.6
124.07589	1.9
124.08499	0.8
124.12095	0.8
127.07555	1.4
128.04890	0.8
128.97920	0.7
130.06459	0.9
133.02888	1.8
134.04878	2.0
137.02966	16.8
137.06003	1.8
137.09612	6.8
137.13246	2.4
137.98367	1.0
138.03021	1.1
139.07011	0.8
142.03499	21.7
142.96718	1.5
143.03656	1.9
143.05431	8.4
144.87193	0.6
145.10094	2.0
147.04448	5.0
147.11691	100.0
148.12015	5.0
152.05954	2.4
154.56207	1.2
160.04578	10.3
161.01218	0.9
161.04697	0.9
165.01845	0.9
165.05615	3.5
165.07806	1.1
165.09093	10.5
165.12759	97.4
166.04982	1.6
166.13162	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.89746	0.8
53.00287	0.9
53.03925	2.3
55.01860	1.1
55.05498	6.3
56.13348	0.7
56.57960	0.7
56.96534	0.9
57.03437	6.2
57.06857	0.7
57.07070	6.8
58.06575	1.0
59.05006	4.0
65.03926	3.0
67.05500	38.6
68.05014	1.4
68.05811	0.8
69.03424	9.4
69.06721	0.9
69.07071	11.1
69.23380	0.9
70.06578	1.0
71.04968	2.2
71.12584	1.6
79.05487	15.2
80.05030	1.0
80.05818	1.0
81.03405	2.7
81.07052	34.5
82.07362	1.2
83.04958	4.3
83.06113	2.0
83.08612	3.7
85.06516	0.8
88.97614	0.7
91.05474	20.6
93.07038	10.4
94.04192	0.9
94.07352	0.8
95.04961	57.3
95.08598	33.2
96.05276	1.2
96.08929	1.2
97.06509	1.0
97.07661	0.9
101.00883	1.2
103.05463	1.9
105.07025	20.7
106.07304	0.9
107.04972	6.2
107.06076	1.3
107.08588	44.4
107.32986	0.7
108.05727	2.1
108.08928	2.1
109.02821	0.8
109.06511	32.2
109.07625	1.5
109.10137	4.8
110.07221	2.7
111.09180	0.9
117.06985	3.3
119.01120	1.4
119.01916	13.7
119.04943	3.5
119.06081	1.1
119.08579	46.9
120.05566	1.0
120.08075	3.0
120.08878	1.6
120.39264	0.8
121.06479	2.0
121.10129	12.9
122.07205	3.4
123.04437	1.2
123.08060	44.6
123.11698	32.9
124.08603	2.8
124.11995	1.3
129.07028	1.7
132.05727	4.2
133.02826	1.8
135.08052	1.1
135.11729	1.3
136.08788	2.0
137.02956	5.2
137.05977	3.0
137.09599	8.1
137.12317	1.5
137.13222	6.8
138.02965	1.0
138.05508	1.2
141.09125	1.3
142.03477	7.1
145.10153	0.9
147.04395	5.7
147.08031	22.7
147.11685	10.8
148.08609	2.2
160.04547	2.7
165.01787	1.0
165.05435	2.4
165.09114	10.8
165.12741	100.0
166.04930	1.7
166.08536	1.1
166.13026	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	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01592	0.6
50.13916	0.5
51.02368	0.8
53.00296	0.4
53.03944	7.4
53.38338	0.5
55.01866	1.4
55.05511	8.8
56.96563	0.6
57.07063	1.7
61.02907	0.5
62.28512	0.4
65.03931	1.9
67.05506	24.9
67.97905	0.4
69.03434	0.5
69.07067	10.1
69.93790	2.0
73.02907	0.6
77.03934	1.6
79.05492	58.6
80.05814	1.4
80.91348	0.4
81.03400	1.4
81.07056	39.2
82.01462	0.9
82.07370	0.9
83.08621	6.7
84.36154	0.5
85.02904	0.8
89.03902	2.1
91.05479	15.8
92.02620	4.3
93.07044	55.0
94.07381	1.3
95.04967	23.7
95.08607	36.0
96.05318	0.8
96.08913	1.1
97.06557	0.5
97.10153	1.5
98.20837	0.9
98.58916	0.5
100.02478	11.5
103.05461	5.5
105.03408	6.3
105.04510	4.4
105.07033	6.3
105.17609	0.4
106.06555	0.9
107.04948	6.8
107.08593	51.4
108.08910	1.4
109.06491	1.4
109.10140	2.8
115.05502	0.5
117.03369	1.2
117.07037	2.6
118.03528	12.4
119.04951	1.1
119.08563	3.6
121.06506	1.8
121.10143	62.1
122.09662	0.8
122.10480	1.8
123.04030	1.6
130.06511	2.1
130.07750	0.9
131.04929	3.9
132.08061	2.3
133.02850	26.5
134.03183	1.2
135.04420	31.3
135.08075	1.7
135.11697	8.7
136.04755	1.4
138.03162	1.2
141.05112	1.6
145.02859	1.1
145.03929	0.7
145.06479	1.0
145.10114	4.6
161.13231	0.6
163.03905	100.0
163.07524	3.8
163.11156	14.1
163.12372	1.3
163.14822	42.5
164.04340	6.3
164.07043	1.0
164.11682	0.9
164.15199	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.2
52.66945	0.2
53.03935	1.3
55.01862	0.6
55.05512	5.4
56.96581	1.1
57.07077	1.2
65.03947	0.9
67.05508	3.7
68.99805	0.2
69.03418	1.1
69.07069	20.9
70.07423	0.4
71.08631	0.3
71.15992	0.4
77.03902	0.5
78.95287	0.2
79.05495	16.3
80.05821	0.4
81.04540	0.3
81.07058	19.6
82.05346	0.3
82.07401	0.7
83.04990	0.5
83.08622	5.3
83.09115	0.3
89.03918	4.9
91.05482	12.3
92.05807	0.5
92.06317	0.2
93.07043	37.1
94.07369	0.8
95.04974	3.2
95.06077	0.7
95.08609	18.3
96.06882	0.2
96.08939	0.5
97.07655	0.4
97.10173	0.4
100.02489	0.6
103.05470	8.5
105.03416	0.4
105.04518	0.7
105.07033	8.7
106.06599	0.3
106.07304	0.4
107.04961	4.1
107.08595	100.0
107.46929	0.2
108.08884	2.9
109.06506	2.7
109.07624	0.3
109.10165	1.5
110.06966	0.2
115.05461	0.7
117.03375	3.0
117.07024	1.8
118.03555	0.7
119.04949	0.6
119.06063	0.8
119.08577	2.9
121.06542	1.6
121.10143	33.2
122.07153	0.5
122.10427	1.0
123.03928	0.2
123.08018	0.9
130.06555	0.4
130.07787	0.9
131.04930	8.8
132.05313	0.4
132.08055	0.4
133.02815	0.9
133.06476	0.4
133.10091	0.4
135.04417	7.4
135.08046	2.6
135.11693	14.7
136.04773	0.3
136.07561	0.7
136.08577	0.5
136.12010	0.5
142.31847	0.2
145.02850	2.7
145.06517	0.6
145.10127	4.2
148.05183	0.2
148.12424	0.2
161.13301	0.4
163.03906	11.6
163.07549	4.8
163.09827	1.4
163.11171	14.6
163.14819	39.2
164.04263	0.8
164.06963	0.3
164.11539	0.9
164.15216	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.95361	0.3
53.00279	0.3
53.03945	1.2
55.01863	0.4
55.05510	6.8
55.06448	0.3
56.96565	0.9
57.07077	0.7
65.03959	0.5
66.09679	0.3
67.05505	3.2
68.99801	0.4
69.03419	0.5
69.07067	18.3
70.07400	0.4
70.46121	0.9
70.46474	0.5
71.08654	0.3
77.03921	0.5
79.05495	15.4
80.05071	0.3
80.05834	0.5
80.20851	0.3
81.07056	19.4
83.08618	5.4
89.03912	2.5
91.05479	12.0
92.42010	0.3
93.07043	35.4
94.07371	0.8
95.04963	2.9
95.06049	0.3
95.08606	18.3
96.08946	0.5
100.02522	0.5
103.05470	5.4
105.04491	0.6
105.06447	0.2
105.07032	7.3
107.04971	3.1
107.08592	100.0
108.08888	2.9
109.06513	2.4
109.10188	1.4
115.05489	0.3
117.03387	2.5
117.07021	1.4
119.06075	0.8
119.08592	3.2
121.06506	1.0
121.10142	32.3
122.07201	0.7
122.10497	1.3
123.08047	0.5
124.36607	0.2
130.06549	0.4
131.04930	6.1
132.08078	0.6
133.02864	0.6
133.10107	0.6
135.04416	5.5
135.08063	2.2
135.11690	14.1
136.04761	0.4
136.07567	0.7
136.08539	0.4
136.12041	0.7
145.02853	1.7
145.10120	3.3
161.13252	0.6
163.03902	6.8
163.05199	0.4
163.07570	3.2
163.09914	0.5
163.11179	11.4
163.14819	41.0
164.11549	1.0
164.15163	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03946	1.3
55.05514	7.1
57.07077	0.6
65.03928	0.9
67.05508	3.0
69.07072	20.2
69.72842	1.5
69.73252	2.3
79.05497	14.5
81.07062	20.0
83.08616	4.6
89.03922	1.5
91.05478	10.9
93.07049	34.3
94.07362	0.8
95.04964	3.3
95.08613	18.0
103.05477	6.2
105.07031	7.1
107.04965	1.9
107.08599	100.0
108.08884	2.8
109.06521	3.5
109.10160	1.3
112.51389	0.5
117.03397	1.7
117.07025	0.9
119.06087	0.7
119.08570	2.6
121.06542	1.2
121.10148	30.6
123.08061	0.6
131.04944	7.1
135.04395	2.6
135.08041	1.0
135.11696	14.4
136.12009	0.7
145.02916	0.7
145.10165	2.2
153.07849	0.5
161.13383	0.7
163.03889	4.3
163.05080	0.5
163.07570	2.9
163.09813	1.0
163.11191	4.6
163.14825	41.9
164.07028	0.5
164.15172	1.2
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
50.01589	0.7
51.02373	1.3
53.03949	7.0
55.01854	1.4
55.05512	6.5
57.03420	0.5
57.07063	2.0
61.02918	4.4
63.75254	0.5
64.22838	0.5
65.03921	1.0
67.05503	20.6
69.03419	2.1
69.07070	8.6
69.71121	3.6
71.89548	0.5
73.02907	1.7
77.03896	1.4
79.05493	47.3
80.05022	0.5
81.03413	2.1
81.07056	34.5
81.93005	0.5
82.01440	0.6
82.07390	0.8
83.08618	4.2
85.02913	3.0
89.03903	2.2
91.03947	1.6
91.05485	11.2
92.02642	3.5
93.07043	44.6
94.07397	1.4
95.04964	22.1
95.08607	30.9
96.05286	0.9
96.08922	0.8
97.02887	0.9
97.10177	1.1
100.02480	12.2
103.05461	4.8
105.03390	7.1
105.04501	4.1
105.07030	6.3
106.06535	0.8
107.04962	7.7
107.08592	40.8
108.08922	1.7
109.06496	1.4
109.10133	2.2
117.03349	2.0
117.06997	2.8
118.02775	1.1
118.03530	11.7
119.04945	1.0
119.08587	4.1
120.08114	0.8
121.06488	2.2
121.10141	49.6
122.10465	1.2
123.04089	1.6
130.06554	1.7
130.07764	1.3
131.04916	5.3
132.08092	2.1
133.02856	26.5
134.03210	2.1
135.04414	31.8
135.08054	2.1
135.11682	6.7
136.04768	1.9
136.07542	0.7
138.03131	1.5
141.05055	1.1
145.02844	1.1
145.06450	1.2
145.10115	3.9
147.08069	0.6
163.03905	100.0
163.07489	3.9
163.11172	15.1
163.12343	1.2
163.14819	35.0
164.04369	6.1
164.06989	0.9
164.10602	1.3
164.15173	1.7
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	Lamoxirene
Peak:m/z	Relative Intensity
51.02375	1.3
53.03948	7.5
54.73565	0.4
55.01874	5.6
55.05298	0.4
55.05513	5.1
56.96555	1.7
57.03430	1.9
57.07058	0.8
65.03944	0.9
67.05175	0.5
67.05508	8.4
67.18908	0.5
69.03415	2.0
69.07068	5.3
70.57114	0.4
71.04989	0.7
72.58342	0.5
77.03933	1.7
78.95287	0.5
79.05493	29.7
79.13559	0.5
80.05009	0.5
80.05813	0.9
81.03427	2.2
81.07057	11.0
82.01457	0.6
83.04962	1.2
83.08598	1.4
89.03905	3.0
91.05476	14.0
91.77410	0.4
92.02630	3.9
93.07045	28.6
94.07359	0.7
95.04968	23.8
95.08602	9.6
96.05305	0.9
97.06541	0.5
98.21531	1.0
100.02483	7.9
103.05466	10.2
103.99266	0.4
105.03386	5.8
105.04483	4.3
105.07027	12.3
106.06532	1.0
107.04955	12.3
107.08594	25.9
109.06528	2.3
115.05453	1.7
116.06219	0.8
117.03353	1.9
117.05747	1.2
117.06144	0.6
117.07011	12.1
118.03530	7.2
119.04948	1.5
119.08587	6.3
120.08109	0.5
121.06506	6.5
121.10142	11.3
121.95746	0.6
122.07130	0.6
122.09595	0.8
123.04002	0.8
129.07011	0.9
130.06523	1.8
130.07767	3.7
131.04921	10.0
132.08099	1.9
133.02850	27.0
133.06560	0.5
133.10117	1.8
134.03203	0.9
134.07277	0.6
135.04414	32.8
135.08081	2.8
135.11685	9.4
136.04689	1.5
136.07576	0.6
138.03104	1.7
143.08589	1.2
145.02835	1.5
145.03914	0.6
145.06482	1.1
145.10127	14.2
150.06218	0.9
156.53764	0.5
158.96303	0.5
163.03902	100.0
163.07506	4.5
163.11165	24.5
163.12323	1.6
163.14807	8.4
164.04300	4.9
164.06999	1.0
164.11537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01612	0.4
51.02369	0.5
53.03943	1.9
55.01867	0.9
55.05508	1.2
56.56297	0.3
56.96553	0.6
57.03423	0.4
57.07078	0.4
63.02366	0.6
65.03924	0.8
67.05502	2.0
68.05025	0.4
68.45994	0.3
68.99787	0.4
69.03431	1.2
69.07068	2.9
69.33337	0.5
69.33748	2.7
77.03922	0.8
79.05495	8.9
81.03406	0.6
81.04579	0.4
81.07052	3.9
82.05309	0.4
83.04980	0.4
83.08615	0.9
84.08089	0.4
85.02903	0.4
89.03918	11.7
90.04246	0.6
91.05482	5.5
92.02622	0.6
93.03405	0.4
93.07040	7.6
95.04973	4.9
95.06104	0.9
95.08615	3.4
96.06865	0.5
100.02478	1.6
101.26889	0.3
102.04659	0.3
103.05466	82.8
104.05780	2.5
105.03402	0.9
105.04523	1.0
105.07037	4.4
106.06554	0.4
107.04955	9.7
107.06063	0.5
107.08586	14.3
108.05621	0.5
108.08966	0.4
109.06522	0.8
109.10159	0.4
115.05454	1.4
117.03381	8.9
117.05748	0.6
117.07020	2.6
118.03574	1.3
119.04926	0.9
119.06075	0.6
119.08581	2.1
119.97860	0.4
120.05681	0.4
121.02808	0.6
121.06543	2.3
121.10142	6.7
122.07188	1.4
123.07955	0.6
127.03831	0.4
130.06532	1.1
130.07704	0.6
131.04927	100.0
132.05263	3.9
132.08107	1.3
133.02884	1.9
133.06473	0.4
135.04416	20.3
135.08038	3.1
135.11673	2.9
136.04768	1.0
136.07567	2.9
136.08670	1.1
145.02863	6.6
145.03983	0.7
145.06473	1.2
145.10127	3.6
147.08109	0.4
148.05171	1.0
163.03909	29.0
163.07544	45.1
163.09793	2.6
163.11183	11.2
163.12288	0.7
163.14818	5.0
164.04282	1.5
164.08092	2.0
184.64160	0.3
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
53.03949	0.9
54.38811	0.2
55.05506	0.4
63.02390	0.3
67.05501	0.5
69.07072	0.8
70.76716	0.8
74.66223	0.2
77.03921	0.6
79.05501	1.9
81.07052	1.2
89.03912	1.8
90.84776	0.3
91.04988	0.3
91.05481	1.7
93.07034	2.2
95.04958	1.6
95.08617	0.8
97.07661	0.4
102.04588	0.3
103.05467	80.6
104.05803	2.7
105.07016	1.0
107.04951	3.3
107.08591	4.1
109.10248	0.3
115.05444	0.5
117.03390	1.8
117.07030	0.8
119.04928	0.3
119.08591	0.7
121.06473	0.5
121.10155	1.8
122.07162	0.5
130.07802	0.4
131.04930	100.0
132.05252	3.9
133.02885	0.5
135.04413	4.0
135.08069	0.9
135.11737	0.5
136.07571	0.5
136.08601	0.3
145.02844	1.1
145.10129	0.7
148.05197	0.6
148.08810	0.3
163.03914	6.4
163.07545	43.8
163.11122	2.4
163.14793	1.9
164.07979	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03947	0.9
54.61810	0.7
57.97581	0.5
61.41789	0.5
63.02369	1.2
69.19800	0.5
69.79079	2.4
69.79499	1.3
74.19607	0.6
79.05495	7.2
80.20236	0.6
84.89921	0.6
86.31655	0.6
89.03916	44.4
90.04241	0.8
91.05453	1.0
95.04972	2.6
98.21471	1.2
103.05462	1.1
107.04957	11.7
115.08289	0.6
117.03377	45.6
118.03732	1.0
125.30882	0.6
131.04945	1.6
135.04414	100.0
136.04779	2.0
136.94914	0.6
145.02846	46.5
145.95207	0.6
146.03181	1.2
163.03906	84.1
164.04221	1.5
175.08391	0.6
181.88135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00295	0.5
53.03942	1.3
55.01867	0.5
56.05061	0.5
56.96559	1.7
58.75552	0.4
60.53185	0.4
63.02375	1.7
63.92941	3.0
65.03921	0.8
66.47646	0.4
69.03435	0.8
70.83801	1.4
78.95277	3.5
79.05489	11.1
80.04975	0.5
81.03383	0.4
81.04525	0.5
81.93987	0.5
84.08148	0.6
85.02910	0.9
89.03916	73.1
90.04250	1.5
91.05476	1.4
93.07063	0.7
95.04955	4.8
96.96281	0.4
103.05466	2.6
105.04519	0.6
106.06549	2.6
107.04955	16.2
107.08604	0.9
117.03378	54.2
117.05687	2.5
118.03711	2.3
119.97132	0.4
119.97864	2.5
120.08086	1.4
120.97940	0.4
121.01696	0.4
121.02834	0.5
121.06437	0.6
122.07181	0.4
122.94199	1.7
128.90050	0.5
130.06531	5.9
131.04938	3.3
132.08066	7.1
133.02824	0.7
135.04413	100.0
136.04765	3.7
139.01759	0.9
140.95241	1.5
145.02841	42.5
146.03159	1.1
158.96347	2.5
163.03900	84.2
163.07524	1.9
163.08650	2.6
163.09882	1.0
163.11040	0.6
163.12303	6.2
164.04311	2.4
181.02829	1.4
181.97878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.00308	0.4
53.03945	2.0
55.01863	0.4
55.50377	0.3
57.03432	0.6
57.07072	0.4
63.02363	2.1
65.03923	0.5
67.91685	0.4
69.79633	1.3
69.80054	0.8
71.14058	0.3
77.03950	0.4
79.05492	10.8
81.04556	0.3
81.07063	2.5
82.05322	0.5
89.03914	71.5
90.04239	1.6
91.05493	1.8
93.07018	0.8
95.04972	5.2
95.06093	0.8
99.08086	1.1
101.48632	0.3
103.05455	2.2
103.07580	0.5
105.04501	0.8
105.07023	0.8
107.04951	16.0
107.08595	1.1
108.05576	0.4
109.06507	1.2
117.03374	52.5
117.07014	0.7
117.09142	1.0
118.03703	1.1
119.04971	0.6
121.10150	0.4
122.07169	0.7
123.07917	0.6
127.07587	0.6
130.06520	0.4
131.04918	2.5
133.02859	0.5
135.04408	100.0
135.11726	0.3
136.04732	2.7
136.08699	0.8
145.02841	40.4
145.10118	0.5
146.03189	1.2
146.07202	0.4
163.03897	77.4
163.07526	1.5
163.09781	2.3
163.11172	1.0
164.04303	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03953	1.1
63.02365	0.9
69.84345	1.6
69.84760	2.1
79.05494	10.3
89.03918	64.3
90.04250	1.4
95.04980	3.9
98.21490	1.1
107.04958	13.6
108.05240	0.8
108.23863	0.6
117.03381	51.3
130.06535	0.6
135.04413	100.0
136.04761	2.0
145.02849	37.8
145.03816	1.3
146.03191	0.9
163.03905	73.0
164.04231	1.8
177.13405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
53.03957	2.7
55.01878	0.7
56.96564	0.7
57.03443	0.6
59.46641	0.5
60.95747	0.7
61.02903	0.5
63.02373	2.6
65.03931	0.7
69.30956	5.4
77.03471	0.6
77.03920	0.7
78.95266	1.1
79.05491	11.3
85.02916	1.5
89.03916	76.8
90.04258	2.1
93.07058	0.7
95.04964	4.5
98.20789	1.1
99.54104	0.5
102.36074	0.6
107.04953	16.5
107.08604	0.9
115.29581	0.8
117.03380	60.5
118.03677	1.4
119.97894	0.7
122.94171	0.8
130.06525	1.0
135.04413	100.0
136.04779	2.7
145.02849	42.2
145.03902	1.8
146.03189	1.0
158.96252	0.8
163.03903	76.9
163.12311	0.9
164.04245	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
53.99802	0.5
55.01873	1.5
55.05256	1.1
55.05510	11.7
56.96572	0.6
63.02391	0.7
65.03954	0.9
66.96739	0.5
67.05505	5.9
69.03428	0.6
69.07072	10.7
77.03934	0.7
79.05494	12.3
81.07058	13.3
83.08616	0.8
91.05482	26.5
92.05802	0.7
93.04488	0.8
93.07047	13.2
93.75084	0.6
95.04956	3.6
95.08604	2.5
97.02888	0.7
97.58211	0.6
98.20716	1.2
103.05468	7.4
104.06304	0.6
105.07031	97.7
106.07339	2.9
107.04921	0.8
107.08582	5.1
111.59903	0.7
115.05451	7.6
117.07029	8.1
118.04173	5.0
118.07810	0.9
119.08582	100.0
120.05608	1.2
120.08801	2.9
121.06394	2.9
121.10126	3.7
121.44137	0.5
128.06244	1.7
128.21965	0.6
128.54709	0.6
129.07007	0.6
130.07806	0.6
131.04916	2.6
131.08568	8.4
132.09364	1.6
133.02892	0.9
133.06502	10.5
133.10130	49.6
134.05994	0.7
134.07053	1.8
134.10448	2.5
135.14029	0.6
139.26987	0.6
139.28139	0.6
143.06026	0.6
143.08551	2.6
144.09235	0.6
145.10126	1.8
146.03610	3.1
146.07263	2.3
146.10938	3.0
149.77422	0.6
159.11703	5.0
161.05992	11.3
161.08183	2.6
161.09622	11.4
161.13257	72.8
162.05469	1.7
162.13644	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02370	0.2
53.03944	0.7
55.01863	0.2
55.05509	6.0
62.55817	0.1
67.05499	0.5
69.07065	2.6
70.58689	0.2
71.19955	0.4
79.05486	2.0
81.07054	0.9
91.05478	7.7
93.07044	1.3
95.04964	0.6
95.08633	0.2
100.97330	0.2
103.05455	1.8
104.06221	0.6
105.07026	17.6
106.07333	0.3
107.04916	0.2
107.08611	1.5
115.05435	1.6
117.07014	2.9
118.04163	0.7
119.08575	100.0
120.05592	0.2
120.08896	3.1
121.10147	2.8
130.07794	0.3
131.04944	0.3
131.08560	2.4
132.09349	0.2
133.06493	1.6
133.10123	17.1
134.07133	0.3
134.10446	0.5
145.10164	0.4
146.07254	0.4
146.10901	1.0
159.11708	1.1
161.06018	1.4
161.09610	1.3
161.13249	17.8
162.13618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.74651	0.2
53.03940	0.7
54.53627	0.2
55.01870	0.8
55.05510	6.4
65.03949	0.2
66.61156	0.3
67.05497	0.5
69.07070	2.5
70.91072	0.5
77.03871	0.3
79.05492	3.4
81.07060	1.7
91.05479	9.0
93.07028	1.9
95.04971	0.7
102.04689	0.3
103.05454	3.4
104.06257	0.6
105.07026	27.1
106.06600	0.3
106.07354	0.8
107.04984	0.3
107.08590	1.8
115.05442	3.0
117.07004	3.2
118.04183	1.9
118.07780	0.3
119.08575	100.0
120.08882	3.6
121.06361	0.6
121.10130	3.6
128.06181	0.5
130.07741	0.3
131.04922	0.7
131.08559	3.1
133.06491	4.7
133.10124	19.7
134.07004	0.4
134.10461	0.5
134.21196	0.3
143.05937	0.3
143.08537	0.4
145.10190	0.5
146.03616	1.3
146.07253	0.8
146.10902	1.2
159.11678	1.1
161.05977	4.5
161.08208	0.8
161.09622	3.6
161.13249	23.1
162.05499	0.5
162.09009	0.3
162.13573	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03937	1.1
54.93999	0.5
55.05257	1.1
55.05512	11.0
60.47545	0.5
65.03949	0.8
67.05502	6.0
69.07069	9.8
69.37822	4.6
69.38234	0.7
79.05494	9.9
81.07062	14.3
84.31872	0.5
91.05484	41.9
92.05793	0.9
93.07043	12.4
95.04971	2.3
95.08604	2.8
103.05464	4.3
104.06280	0.7
105.07033	89.1
106.07353	2.5
107.08605	3.6
115.05463	2.2
117.07021	13.2
118.04147	1.1
119.08582	100.0
119.95753	0.6
120.08932	2.4
121.06496	0.8
121.10125	0.8
128.06230	0.7
131.08562	6.4
132.09357	4.1
133.06479	2.6
133.10133	43.9
134.10493	2.3
143.08563	1.3
145.06541	0.6
145.10153	1.0
146.03671	2.6
146.07298	0.7
146.10884	1.2
159.11685	3.2
161.05992	4.3
161.09636	6.1
161.13260	79.7
162.05490	1.3
162.13600	3.9
170.30051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.43802	0.7
53.03952	2.0
55.01870	1.9
55.05508	5.9
56.96548	2.0
60.95853	0.8
65.03934	1.5
67.05504	24.1
68.90440	1.0
69.03441	5.1
69.07072	5.2
69.31120	1.8
69.31526	8.6
78.93115	1.3
79.05496	34.4
80.05820	1.0
81.07058	29.1
83.08595	2.0
87.77052	0.7
91.05482	86.9
91.87504	0.8
92.05814	3.2
93.06485	1.4
93.07044	22.2
95.04988	5.0
95.08604	14.3
96.94170	1.0
103.05476	4.9
105.03341	1.9
105.07031	96.7
106.07359	3.0
107.04984	1.2
107.08603	3.7
115.05469	6.8
117.07020	30.0
119.04880	1.0
119.08582	66.8
119.95746	1.3
120.08907	1.0
121.06498	8.0
128.06218	7.7
131.04919	2.4
131.08586	5.2
133.06493	16.0
133.10132	49.9
134.06018	1.2
134.10541	2.0
137.96771	2.0
143.08560	12.5
144.08940	1.0
145.06529	2.1
146.03595	4.0
146.07268	14.2
159.11714	2.5
161.06026	7.9
161.09622	86.6
161.13258	100.0
162.05487	2.6
162.09970	3.3
162.13599	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.01569	0.2
51.02360	0.3
51.38660	0.2
52.52871	0.2
53.03947	2.1
55.01629	0.3
55.01874	5.1
56.05019	0.4
56.83030	0.3
58.09739	0.2
58.99585	0.7
59.06123	0.5
60.04526	0.4
64.50166	0.2
65.03922	0.3
65.91145	0.3
66.04733	1.7
77.03922	0.7
77.95245	0.2
79.05495	19.6
80.05801	0.4
84.04501	0.4
85.02911	0.4
85.97545	0.3
89.03905	1.1
90.04704	3.8
91.05486	4.8
92.02612	0.6
93.04521	0.3
94.04180	0.4
95.04973	5.3
98.21547	0.4
102.04675	1.0
103.05473	24.7
104.05767	0.5
105.03387	0.8
105.04521	1.1
105.07034	100.0
106.07354	2.6
107.04952	1.0
115.05458	28.4
116.01712	0.3
116.05747	0.6
117.07053	0.3
118.04166	19.2
119.08583	2.4
120.05567	0.5
120.71477	0.3
121.06401	1.8
128.06238	0.5
131.04935	5.7
132.05763	1.3
133.06494	51.7
133.10117	2.6
134.06018	0.3
134.06876	1.7
143.04935	0.7
143.06039	4.5
143.08511	0.6
146.03629	1.0
146.07291	1.2
149.05952	0.3
161.06006	10.7
161.08191	1.1
161.09615	5.8
161.10881	0.4
161.13266	1.0
162.05548	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01868	0.6
55.05510	1.7
56.96555	0.4
58.06816	0.3
65.03929	0.5
67.05512	2.2
69.03436	6.4
69.07066	1.6
70.33402	0.9
70.33798	0.8
72.98293	0.4
78.93123	1.0
79.05496	4.4
81.07056	3.0
91.05486	13.2
92.06474	0.4
93.07047	6.1
95.04962	1.2
95.08611	2.0
103.05473	2.0
105.07032	50.7
106.06685	0.5
106.07322	1.8
107.04962	1.9
107.08592	0.6
108.17854	0.4
115.05458	1.8
116.06249	0.5
117.07039	3.0
118.04163	0.8
118.07771	0.6
119.04966	0.6
119.08585	17.9
119.95760	0.7
121.06506	15.2
128.06223	6.4
131.04935	2.5
131.08583	2.3
132.05713	1.6
133.06525	4.6
133.10132	30.7
134.06004	0.8
134.06990	0.4
134.10448	1.4
137.96765	0.4
141.06961	0.4
143.07512	0.7
143.08560	8.7
145.06485	4.1
146.03632	2.3
146.07272	26.2
147.07588	0.7
155.06100	0.4
159.08070	1.0
159.11691	0.7
161.06059	3.5
161.09618	100.0
161.13239	13.3
162.05513	1.6
162.10007	4.8
183.11191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02391	0.6
53.03945	1.6
55.01873	4.4
56.37664	0.2
58.99594	0.6
65.03934	0.4
66.04724	1.5
69.03452	0.3
69.07060	0.3
69.51935	1.8
72.08153	0.3
77.03928	1.3
79.05492	19.6
80.05824	0.3
88.71451	0.3
89.03919	1.1
90.04700	3.6
91.04974	0.4
91.05486	4.6
91.99762	0.3
92.02629	0.6
93.07021	0.3
94.04174	0.5
95.04972	6.3
98.33243	0.3
99.53845	0.3
102.04677	0.6
103.05466	24.4
104.05750	0.4
105.07029	100.0
106.06712	0.4
106.07356	2.2
107.04935	1.2
107.06047	0.3
107.14065	0.2
115.05455	27.7
116.01689	0.6
116.05790	0.9
117.07005	0.3
118.04160	20.0
119.04438	0.3
119.08591	2.0
120.08105	0.3
121.06363	0.7
128.06265	0.6
131.04927	4.4
132.05714	1.4
133.06491	51.2
133.10081	2.5
134.06885	1.6
134.31369	0.2
143.04956	0.4
143.06039	4.4
143.08527	0.6
146.03642	1.3
146.07237	1.3
149.05959	0.4
161.05983	10.6
161.08191	0.7
161.09595	5.1
161.10913	0.4
161.13248	1.1
162.05400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03474	0.4
55.05511	0.5
56.05038	13.5
57.04560	1.0
57.05390	0.2
60.08170	0.3
61.04053	18.3
69.04570	0.4
69.61221	1.8
69.61551	0.3
70.02951	1.2
70.06599	1.2
71.02488	1.4
72.04519	79.4
73.04858	0.9
74.02449	4.4
74.06081	2.4
74.07186	0.2
81.04088	0.4
81.04543	3.1
82.02947	0.3
82.06548	0.3
84.04525	0.9
84.05645	1.7
85.02932	0.3
86.06039	0.4
87.04453	0.4
89.03514	3.4
89.04782	0.8
89.07161	3.2
96.05602	0.4
96.08134	0.6
97.04046	0.3
98.20769	0.5
100.07621	0.5
101.06056	0.6
102.05542	2.4
114.06656	100.0
114.09155	1.3
115.03848	0.2
115.05056	2.4
115.06282	0.3
115.06999	1.0
116.04745	6.8
117.06625	5.3
120.48528	0.2
127.05057	0.9
132.07704	0.4
142.08638	0.4
143.04512	1.5
160.07184	72.2
160.13309	0.7
161.07607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32090	0.1
51.94286	0.1
55.87517	0.1
56.96572	1.0
58.99865	0.2
60.95840	0.5
70.84087	0.2
78.10455	0.1
82.99802	0.8
83.81711	0.2
98.97584	1.8
100.02473	0.3
100.97180	0.5
100.98004	0.3
101.00871	10.8
102.00937	0.9
102.96864	1.5
105.07059	0.3
105.51113	0.2
116.98645	1.2
118.03516	0.5
119.01917	100.0
119.98209	0.4
120.02002	7.6
120.97890	1.8
121.01634	0.9
121.02368	0.4
124.02464	0.2
124.97559	0.5
128.41281	0.1
133.03479	0.2
133.98083	2.2
134.98016	0.2
134.99658	1.3
136.04532	0.2
136.48402	0.7
137.02953	50.2
137.99380	0.2
138.03059	3.2
138.98929	1.3
139.02617	0.3
142.03503	1.8
142.98613	0.3
143.03654	2.6
144.03218	0.7
145.48889	4.6
153.00700	0.2
154.49370	1.0
156.99799	0.6
160.04561	0.8
161.02953	2.6
161.04640	2.5
161.09537	0.2
162.04224	0.8
179.03999	5.6
179.05656	1.1
180.04015	0.3
180.05402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88615	0.3
55.05518	0.5
56.05034	11.9
56.96574	0.5
57.04561	1.0
57.49569	0.3
61.04047	17.3
69.04539	0.3
70.02959	0.7
70.06590	1.7
70.97739	1.1
70.98098	0.4
71.02489	1.8
71.61916	0.3
72.04514	86.3
73.04853	0.5
74.02440	4.5
74.06077	2.8
81.04540	3.8
82.02916	0.4
84.04485	0.8
84.05626	1.6
86.03569	0.4
89.03510	3.0
89.04765	0.4
89.07137	3.0
96.08115	1.1
97.29711	0.3
100.07573	0.3
102.05543	2.6
114.06647	100.0
114.09164	2.4
115.05019	1.7
115.06987	1.3
116.04719	0.8
117.06626	4.5
118.04998	0.5
127.04989	0.7
135.75491	0.4
137.16394	0.3
142.08598	0.5
143.04530	1.7
160.07172	62.6
161.07524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03480	0.6
56.05034	10.7
57.04569	1.2
61.04049	18.8
61.10611	0.5
70.02937	1.1
70.06602	0.7
71.02474	1.9
71.32256	0.8
71.32590	0.8
72.04515	80.3
74.02442	4.6
74.06073	1.9
81.04533	3.8
84.04512	0.7
84.05627	1.4
89.03519	3.1
89.04749	0.7
89.07165	2.4
102.05523	2.9
114.03790	1.4
114.06650	100.0
114.09208	1.7
115.05083	2.4
115.06995	1.2
116.04710	0.6
117.06624	4.7
118.04972	0.7
127.05070	0.5
140.58905	0.5
143.04517	1.8
160.07178	70.0
161.07616	0.9
170.68625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.58712	0.7
56.96550	1.2
61.19456	0.7
61.59174	0.6
63.17448	0.7
67.05506	3.9
70.06605	1.3
71.60089	1.0
72.04500	2.7
76.92920	1.3
76.93362	9.2
79.05496	3.4
81.07042	2.2
83.04969	0.7
88.07623	0.8
91.05484	14.8
93.07030	2.2
94.94399	4.3
97.02888	0.7
103.05448	1.0
105.07030	23.2
106.07365	0.9
112.95461	1.1
113.02327	0.8
114.05515	1.0
114.06638	2.9
114.09193	0.8
115.05480	5.5
116.06235	2.6
117.07028	39.7
117.95985	7.2
118.06522	1.9
118.07247	0.8
118.96792	1.1
119.08588	6.7
128.06219	1.2
129.07019	13.4
129.16342	0.8
130.07803	10.9
131.08578	63.6
131.11821	1.4
132.08890	2.5
134.99649	2.2
135.97023	8.5
136.00005	0.8
141.01840	3.2
141.06923	1.0
142.07753	1.3
143.08580	1.0
144.09351	21.9
145.09738	0.9
153.00735	0.8
157.10161	3.8
158.98639	1.6
159.08095	10.9
159.11699	100.0
160.07338	2.0
160.12105	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	160.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97594	0.3
56.05038	2.0
60.10184	0.4
61.04052	2.6
69.90290	2.0
69.90694	0.6
70.06598	0.7
71.02488	0.3
72.04520	15.0
74.02433	0.9
74.06065	0.4
81.04536	0.5
89.03521	0.5
100.07619	0.4
102.05553	0.6
110.09515	0.3
114.06661	16.2
114.09166	0.9
116.04742	100.0
117.05088	2.6
117.06571	0.8
127.94238	0.3
133.73402	0.4
134.05803	1.1
160.03709	11.1
160.07193	9.7
160.09695	1.4
161.04018	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03954	0.3
55.05516	0.7
56.96566	2.8
57.81364	0.3
65.03946	0.7
67.05508	3.2
70.73996	0.6
72.04525	0.4
76.93368	1.9
79.05486	2.0
81.03438	0.3
81.07078	0.8
91.05482	17.8
92.05811	0.4
93.07059	0.9
95.04965	0.5
98.97551	0.6
103.05484	1.1
104.03131	0.6
105.07033	21.1
105.82030	0.3
106.07373	0.7
115.05449	6.0
116.06268	2.8
116.98611	0.7
117.07021	35.7
117.95998	2.3
118.06629	0.3
118.07383	1.2
118.96785	0.3
119.08582	9.8
120.08924	0.6
127.05482	0.3
128.06197	1.5
129.07011	19.6
130.07800	20.6
131.08571	84.5
132.08032	0.4
132.08907	3.8
134.99646	0.7
135.55804	0.6
135.97037	1.2
136.05960	0.3
141.01871	0.6
141.06966	0.5
142.02455	0.4
142.07767	1.8
143.08583	1.5
144.09348	21.3
145.09691	1.0
157.10138	4.5
159.11693	100.0
160.12038	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	158.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05033	0.4
56.96566	4.7
57.03422	0.7
57.93574	0.2
58.06587	0.2
62.70343	0.1
67.05508	0.2
69.03435	0.5
70.06594	4.2
70.16966	0.7
70.98116	0.2
71.01358	0.2
71.04990	0.4
71.95255	0.3
72.04501	0.2
73.02911	0.3
75.01059	0.2
75.04465	0.2
75.06552	0.1
81.03425	0.7
83.06071	0.2
84.08131	0.4
84.92197	0.1
84.95969	0.1
85.02895	0.5
86.03619	0.2
86.51872	0.2
87.04464	0.3
87.55705	0.1
88.99184	0.1
90.01557	0.2
91.02325	0.2
94.06557	0.2
96.01541	0.2
96.04478	0.2
96.08144	0.3
97.96804	0.5
97.99198	0.2
98.03527	0.2
98.09695	100.0
98.20877	0.2
98.97583	9.5
99.04440	0.4
99.09391	0.2
99.10013	2.5
101.00773	0.2
106.06602	0.2
107.22810	0.1
109.02888	0.5
110.01282	0.5
110.97548	0.2
112.07594	0.7
112.11268	0.4
112.55740	0.3
115.97813	0.4
116.97234	0.6
116.98621	10.3
117.02006	0.5
118.06540	0.3
119.01830	0.5
119.07298	0.6
119.51965	0.2
126.00879	0.1
126.02589	1.0
127.00265	0.2
127.01547	0.4
128.02303	0.3
128.98613	0.5
130.06520	0.8
130.52631	0.3
131.00137	0.2
134.06029	0.4
134.99660	7.2
135.03070	0.3
135.06810	1.3
135.56934	0.2
140.00148	0.3
140.07056	0.4
142.02496	0.4
146.99686	0.4
149.01239	0.4
152.96942	0.2
153.00693	1.1
158.01326	0.2
158.05971	0.4
158.08134	0.5
158.09612	0.8
158.11769	31.9
159.05061	0.2
159.12115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.05037	1.0
56.96567	7.3
57.03436	0.9
57.04579	0.3
57.07079	0.8
57.93555	0.4
58.06612	0.8
59.06120	1.7
60.04530	1.2
61.39107	0.3
68.05025	0.5
68.86565	0.3
69.03428	0.6
69.07072	0.7
70.06599	1.0
71.05000	0.8
71.06125	0.5
71.59903	0.5
71.95274	0.6
72.04512	0.7
72.08143	0.4
73.02918	0.5
74.06084	0.6
75.05613	0.5
76.93368	0.7
80.05030	0.4
81.03418	0.8
81.04569	0.3
81.07081	0.4
82.02940	0.5
83.03685	0.3
83.06115	0.9
84.04518	0.7
84.08145	0.5
84.96072	0.4
85.02915	0.6
86.08439	0.4
86.09744	0.6
87.05588	1.8
88.07603	0.5
89.03937	0.4
91.05486	2.8
93.05791	1.1
94.06597	0.5
95.08630	0.4
96.04494	0.4
96.41199	0.3
98.03541	0.5
98.06055	1.0
98.07167	0.5
98.09702	3.1
98.97589	17.0
99.04499	0.5
99.05585	1.8
99.08130	0.3
100.03949	0.3
100.07621	1.1
102.09181	1.0
103.05466	0.7
105.07028	0.7
110.01272	0.7
110.07168	0.5
111.07957	0.4
111.09206	0.5
112.07596	1.0
113.07119	0.4
114.05537	0.6
114.09147	0.6
115.05462	2.8
115.97848	0.5
116.06245	1.1
116.97255	1.6
116.98628	20.2
117.05775	4.4
117.07053	2.4
117.96003	0.3
117.98897	0.4
118.06553	0.6
119.01838	0.9
122.06014	0.3
126.02571	0.9
128.02304	0.6
128.07083	0.6
129.07018	1.1
130.06534	7.9
130.07516	0.5
131.04919	0.4
131.07268	0.7
131.08563	2.9
133.98921	0.4
134.99666	24.2
135.97041	0.5
140.00261	0.7
140.03400	0.5
140.07066	1.3
140.08070	0.4
140.10680	0.3
141.01863	0.9
141.07031	2.0
141.10272	0.3
142.02492	0.9
142.06474	0.6
143.07307	66.6
144.07634	1.9
144.09344	0.5
146.99657	0.4
149.01302	0.4
152.96878	0.7
153.00714	5.4
156.08139	0.8
157.08884	2.4
158.00023	1.2
158.01302	1.2
158.09656	100.0
158.15375	1.4
159.05215	0.6
159.07970	0.7
159.10136	2.8
159.11586	2.0
176.02303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03938	0.3
55.01632	0.4
55.01872	5.5
56.05029	0.5
56.96566	4.0
57.03434	1.7
57.93560	0.5
59.06118	0.6
60.04533	0.6
67.04234	0.2
67.05493	0.5
68.05018	1.2
69.03413	0.9
69.07068	1.3
70.06248	0.4
70.06595	4.4
71.04980	0.5
71.34208	0.5
71.95256	0.2
72.04509	0.5
72.08166	1.1
79.05482	0.9
80.05000	0.4
81.03425	1.3
81.05811	1.6
82.02953	0.3
83.04975	0.5
83.06112	0.6
84.04504	5.9
84.08103	0.5
85.02866	0.4
86.06052	0.8
87.04462	2.1
87.05590	0.4
90.01546	0.2
94.06568	21.1
95.04977	0.5
95.06145	0.3
95.07360	6.0
95.08604	0.3
96.04491	24.3
96.08128	7.6
97.02922	0.3
97.04816	0.3
97.08427	0.3
97.96842	0.3
97.99159	0.3
98.06055	19.7
98.09094	0.4
98.09689	5.1
98.97585	9.8
99.05581	0.7
99.06360	0.2
100.07592	0.5
102.05549	1.2
109.02852	0.5
110.01292	0.3
110.06070	0.5
112.07597	2.7
112.11263	0.5
112.55745	1.2
113.07093	0.3
114.05528	22.5
115.05892	0.4
116.97228	0.9
116.98618	10.8
117.02023	0.3
119.01789	0.4
119.07314	0.3
122.06025	7.3
126.02573	0.7
128.02330	0.3
130.06575	0.3
132.07997	0.3
134.99658	7.3
135.00662	0.4
135.06798	0.5
138.05493	1.9
140.07063	100.0
141.07454	2.0
142.02574	0.3
146.99644	0.3
152.96867	0.5
153.00720	1.3
158.08134	28.0
158.09511	1.7
158.11690	2.3
158.15375	0.3
159.08589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	19.5
57.58068	0.4
61.21017	0.3
70.63943	1.1
71.95266	3.1
80.10464	0.3
98.97583	100.0
99.97908	0.9
109.45232	0.4
116.01997	0.6
116.98620	92.3
117.99016	0.6
118.03516	0.9
119.01932	3.1
134.02985	3.1
134.99655	58.6
135.99980	0.4
137.02960	1.2
140.00183	1.7
152.04085	0.7
152.96918	0.4
152.99478	0.6
153.00710	10.4
158.01271	2.1
158.09581	0.6
176.03975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18866	0.3
53.03945	0.3
54.03463	0.4
55.01871	29.0
55.05503	1.8
55.66656	0.2
56.02204	0.6
56.05028	2.8
56.96564	19.2
57.03438	5.1
57.93561	0.4
58.06598	7.0
59.04986	0.5
60.05647	0.3
60.95842	0.4
61.02927	0.8
62.06065	0.3
67.02995	0.3
67.05495	1.1
67.44128	0.2
68.02654	0.7
68.05027	1.1
68.99788	0.3
69.00927	0.3
69.03429	3.7
69.04546	0.4
69.07066	1.5
70.02943	0.3
70.06590	36.7
70.98110	0.6
71.01351	1.0
71.02463	0.5
71.04995	1.6
71.06927	0.4
71.58914	0.3
71.95258	1.0
72.04515	1.0
72.08150	2.5
72.93132	0.2
73.02917	3.1
73.93805	0.3
74.06083	0.3
74.93811	0.6
74.97604	0.8
75.01073	0.3
75.04478	0.9
77.00824	0.3
79.05486	0.5
80.01384	0.4
80.05021	0.6
81.03413	3.0
81.07059	0.8
82.06577	27.1
83.00781	0.9
83.01341	1.9
83.04975	1.5
83.06113	0.7
83.06909	0.6
84.01548	1.3
84.04491	0.7
84.06450	0.2
84.08141	3.6
84.96033	1.2
84.99281	1.2
85.02907	2.7
85.06532	0.3
85.07663	2.6
86.03554	2.3
86.06069	0.8
86.09698	2.9
86.51847	0.4
87.00965	0.4
87.04467	1.5
87.09234	2.0
87.50784	0.4
88.03987	0.8
88.07631	0.3
88.51607	0.2
88.99149	0.5
89.00790	0.5
90.01550	1.2
90.81741	0.3
91.02345	0.4
92.01297	1.0
92.94874	0.2
93.02083	0.3
93.03386	0.3
93.07021	0.4
94.06556	0.9
94.51578	0.3
95.01337	0.4
95.04975	0.7
95.06084	0.7
95.08591	0.6
95.52349	0.4
96.01544	1.5
96.04480	0.5
96.08131	0.7
96.51320	0.3
97.00520	0.4
97.02909	2.2
97.04011	5.8
97.06530	1.6
97.07630	2.3
97.10185	0.3
97.96803	1.2
97.99187	1.2
98.01307	0.5
98.03554	0.7
98.06052	2.3
98.09689	10.5
98.96920	0.5
98.97580	8.5
99.02056	0.6
99.04482	1.1
100.05220	0.6
100.07623	0.6
101.00761	1.1
101.02426	0.6
101.06006	0.6
101.52349	0.3
102.01588	0.3
102.05526	0.4
104.01286	0.3
105.02065	1.3
107.00204	0.5
107.52330	0.3
108.01575	0.3
109.02859	2.0
110.01275	2.6
110.07160	1.1
110.97581	0.8
111.00805	1.1
111.02039	0.3
111.03036	0.3
111.04472	1.3
111.07592	4.2
111.09199	91.3
112.02200	0.3
112.02896	0.3
112.05076	0.6
112.07601	2.8
112.08778	3.7
112.09477	0.8
112.10072	0.7
112.11254	0.7
112.51640	0.3
112.55712	0.4
113.02388	0.4
113.04607	0.9
113.05957	0.3
113.07111	0.3
114.05482	0.5
114.06734	0.2
114.09165	3.7
115.08690	4.6
115.96438	0.3
115.97829	1.3
116.00198	1.1
116.03535	0.2
116.07085	3.4
116.97339	1.4
116.98616	9.5
116.99439	0.6
117.02042	1.2
118.01144	0.4
119.01819	5.5
120.01993	0.7
121.51954	0.2
122.06045	0.4
125.02354	0.8
126.01068	0.4
126.02537	2.9
127.06158	0.7
128.02303	1.9
128.04535	0.2
128.06232	0.3
128.98605	1.8
129.01842	0.6
129.07001	0.3
129.10242	0.4
130.06502	0.3
130.08705	0.4
130.12268	0.5
130.52586	0.5
131.00197	0.7
133.01694	0.5
133.03450	0.8
133.97427	0.2
133.98901	1.1
134.01279	0.3
134.98624	0.5
134.99652	10.5
135.03081	2.1
135.06792	0.3
137.02966	0.5
137.53374	0.5
139.03894	0.9
139.06136	12.3
139.08626	2.1
140.00188	0.3
140.04474	0.4
140.07028	1.0
140.10693	0.8
141.06583	0.4
142.01077	0.5
142.04803	0.2
142.96553	0.5
143.00166	0.4
143.05635	0.9
144.03549	0.4
146.53928	0.4
146.99658	2.9
149.01202	1.5
150.96964	0.3
151.97049	0.6
152.96976	0.4
153.00713	2.1
157.01387	2.3
157.09717	100.0
158.01268	0.8
158.05692	0.7
158.08055	1.0
158.09328	6.8
158.11743	10.8
158.15402	1.4
160.02110	1.1
160.97566	1.0
161.01201	0.7
162.99167	0.5
165.00739	0.7
167.02194	0.3
173.01224	0.4
174.99080	0.3
175.02451	0.4
175.04469	0.2
178.98671	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03010	0.5
55.01871	97.6
55.05522	3.8
55.70810	0.6
56.02200	1.7
56.05030	5.1
56.96565	31.2
57.03432	6.8
58.06601	4.4
59.04996	0.7
61.02922	1.8
67.05502	1.3
67.51067	0.6
68.02647	1.1
68.05018	0.7
68.99758	0.8
69.03429	7.9
69.07083	1.6
70.04087	0.7
70.06591	25.7
70.98108	0.9
71.01366	2.2
71.05002	2.2
71.58974	1.0
71.95262	1.4
72.04524	1.0
72.08162	1.5
72.93800	1.2
73.02920	5.4
74.93842	0.9
74.97596	1.2
75.04465	0.6
79.05472	0.7
81.03411	4.1
81.07058	1.3
82.06580	15.8
83.00778	1.9
83.01347	7.2
83.04987	4.7
83.06096	1.2
84.01579	1.4
84.06458	0.7
84.08140	2.2
84.96055	0.7
84.99250	3.2
85.02900	5.7
86.03674	0.7
86.06078	0.7
86.09698	0.7
86.51818	0.8
87.04476	1.9
87.09229	1.3
87.50803	0.8
88.03996	1.6
88.07623	1.0
90.01548	1.2
92.01292	3.6
93.07036	1.4
94.04884	0.5
94.51562	1.0
95.01367	0.8
95.04972	1.3
95.08582	0.7
95.52316	0.7
96.01542	1.9
96.04497	0.7
97.02898	4.3
97.06540	2.3
97.07656	2.0
97.10201	0.7
97.96798	1.6
97.99177	1.3
98.01284	0.9
98.06062	2.6
98.09691	4.8
98.97574	7.6
99.04472	1.4
100.05231	0.7
100.07603	0.8
100.51543	1.0
101.00771	0.9
101.02431	1.6
101.05989	1.0
103.00465	1.2
103.52055	1.2
105.02098	0.9
107.00178	0.6
109.02888	1.6
110.01259	2.5
110.07143	1.8
110.97585	1.1
111.00800	3.0
111.04440	5.2
111.05585	0.8
111.06834	1.6
111.07525	6.1
111.09198	51.7
112.01031	0.8
112.07594	4.6
112.10020	3.3
113.02374	2.4
113.04591	1.8
114.05534	0.8
114.09158	0.8
115.08689	4.4
115.96460	0.7
115.97847	1.8
116.00158	1.5
116.03484	0.6
116.07089	5.3
116.97229	2.4
116.98618	10.7
117.02037	1.7
118.01156	0.8
119.01858	3.4
120.01958	0.8
121.01624	0.7
125.02371	2.1
126.01074	1.4
126.02563	3.5
127.03954	0.7
128.02377	1.0
128.98576	1.4
129.01830	2.0
129.07036	0.9
130.06532	0.6
130.08556	0.6
130.52621	0.7
131.00165	0.7
133.98868	1.2
134.99649	12.6
135.03094	1.3
137.02902	0.8
139.03908	1.4
139.08641	0.7
140.07057	1.6
142.07840	0.6
142.96524	1.0
143.05739	0.7
145.51305	0.7
146.99606	2.7
148.96161	0.6
149.01242	0.8
150.96892	1.6
150.99022	0.6
151.97021	1.6
153.00693	2.8
157.01347	9.4
157.04962	1.6
157.07582	2.4
157.09721	100.0
158.01286	0.9
158.05916	0.6
158.08134	2.2
158.09689	5.1
158.11655	2.8
160.02100	1.1
160.97601	2.4
174.99028	0.8
175.02440	0.9
178.98636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93836	1.6
55.05486	0.4
56.96565	18.8
67.05480	0.3
69.96178	24.0
70.83521	0.5
70.95847	0.7
71.94100	8.8
72.04501	0.6
72.93791	1.3
72.94850	0.3
74.97600	0.4
77.50932	0.3
80.01160	0.3
80.51049	0.4
81.07053	0.2
83.04964	0.5
83.39914	0.2
83.57050	0.3
87.15481	0.2
87.96735	0.2
87.97217	1.6
88.51691	3.3
89.01744	6.5
89.51565	6.9
89.95116	0.7
90.01630	0.8
90.94836	0.5
95.04932	0.3
97.99142	0.2
98.02232	1.1
98.52090	1.2
98.97540	0.4
100.02458	1.3
100.52540	1.6
101.00863	0.4
101.02345	2.5
103.02418	0.3
107.08509	0.3
110.03006	0.3
110.07163	0.7
110.98752	1.0
111.04429	0.5
111.48244	0.4
112.96699	0.4
113.00877	0.3
113.05965	0.4
113.95069	1.2
113.96404	0.7
113.98660	2.4
114.04071	0.4
116.00176	0.3
116.98661	0.7
117.48717	0.6
117.98538	0.4
118.03539	0.6
119.01923	1.9
119.44862	0.3
119.98991	1.2
120.48822	1.4
120.97909	0.3
121.01643	0.4
125.99212	0.8
126.49265	2.3
126.99095	3.6
127.03928	0.4
127.07557	0.3
127.49133	0.5
128.42117	0.2
128.49503	1.5
128.97914	0.2
128.99527	4.6
129.16568	0.3
129.49365	4.7
129.99416	1.1
131.01894	1.3
131.49762	0.7
131.96147	34.3
131.99670	8.6
132.02007	0.3
132.05070	8.0
132.95757	0.4
133.03465	1.3
133.98021	0.4
134.01260	0.6
137.02983	0.7
137.50012	7.7
137.98346	0.9
137.98801	0.4
138.00056	30.6
138.49881	36.2
138.99927	5.4
139.49776	1.3
139.98056	0.3
140.00320	0.9
140.50305	3.8
141.00137	4.6
141.50192	0.6
141.96976	1.1
142.03461	0.4
147.00620	0.8
147.50418	1.0
149.00821	2.6
149.02930	0.4
149.48366	0.3
149.50871	18.7
149.97205	100.0
150.00688	31.1
150.06111	6.3
150.50722	4.2
150.96919	1.4
151.00653	0.6
151.04497	0.7
151.97614	0.5
152.01175	0.4
152.50981	0.4
154.90741	2.3
154.97729	1.8
155.03551	0.3
155.07024	0.9
155.11790	0.9
155.99715	0.3
156.05112	0.5
161.01694	0.4
161.51526	0.9
163.98859	0.3
167.98260	13.2
168.01711	1.4
172.94174	0.4
172.98805	4.5
173.02725	0.3
174.00771	0.5
174.06154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0499
Annotation	5-Aminosalicylic Acid
Peak:m/z	Relative Intensity
53.03939	0.5
55.01859	0.2
55.05515	0.8
55.93523	0.2
56.05025	0.5
56.96340	0.1
56.96568	1.6
57.03435	0.2
57.07061	0.1
58.06603	0.2
65.03934	0.4
67.01869	0.2
67.05490	0.4
68.05022	0.6
68.96336	0.6
69.03420	0.4
69.04540	0.3
69.96165	0.5
70.02928	0.2
70.06603	0.6
70.90206	0.3
70.94276	0.6
71.04993	0.2
71.94106	0.6
72.08134	0.3
72.93415	0.1
72.93794	2.1
79.05508	0.2
80.05016	1.5
81.03408	0.7
81.04524	0.3
81.07040	0.5
82.06570	0.5
83.04976	0.5
83.06088	0.5
83.07349	0.2
83.14971	0.1
84.04495	0.4
84.08149	0.2
85.02896	0.2
85.07643	0.1
86.97391	0.2
87.04448	0.3
90.94827	0.6
91.05476	0.2
92.05005	11.7
93.05305	0.2
94.06561	0.3
95.01325	0.8
95.03713	0.1
95.04967	0.5
95.06099	0.6
96.04476	0.3
96.06894	0.2
96.08124	0.3
97.02890	0.2
97.03983	0.2
97.07666	0.4
98.03729	0.1
98.06018	0.3
98.97569	0.3
99.04410	0.3
99.05574	0.2
107.06050	0.1
108.02106	0.3
108.04486	3.6
108.05190	0.1
108.08115	0.4
108.95855	0.2
109.02885	1.2
109.06499	0.7
109.07629	1.0
109.98944	0.2
110.06023	0.4
111.04457	0.7
111.05589	0.2
111.09201	0.5
112.01585	0.2
112.03987	0.1
112.05009	0.4
112.07594	0.3
112.08715	0.2
113.05994	0.3
113.07101	0.3
113.96395	0.7
116.98634	0.2
119.02470	0.1
123.04370	0.1
124.07653	0.2
125.07041	0.2
126.05500	0.3
126.06331	0.2
126.09167	0.3
127.03937	1.3
127.04881	0.2
128.00067	0.1
129.05464	0.1
130.96292	0.5
131.01932	0.1
131.96158	0.5
131.97430	1.0
131.99690	0.3
134.99557	0.1
136.03914	1.2
136.04900	0.1
136.07573	1.5
136.08656	0.4
137.02339	1.2
137.03448	0.4
137.06047	0.3
137.07097	0.3
137.10735	0.5
138.01897	0.5
146.99580	0.2
148.97356	1.8
149.01250	0.4
149.97198	2.1
150.00726	0.4
150.10568	0.1
154.04991	100.0
154.09583	0.9
154.13387	0.3
154.90698	0.4
155.03465	1.0
155.05360	2.9
155.06966	0.7
155.08131	0.2
155.11824	0.1
156.02895	0.3
156.05377	0.2
166.98392	0.1
167.98250	0.3
171.98915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00308	2.2
53.03937	3.8
53.20913	1.0
54.03468	1.8
54.72015	0.8
55.01861	4.2
55.05512	20.9
56.05032	4.4
56.96576	6.8
57.03430	2.7
57.04551	1.0
57.07070	3.1
58.06592	3.0
59.05003	9.7
59.06120	1.6
60.04531	1.0
65.03608	2.0
65.03942	35.7
67.02987	1.8
67.05505	25.9
68.05025	4.7
68.05834	0.9
68.96323	1.8
68.99777	1.7
69.03436	10.2
69.04536	2.2
69.07074	15.1
69.94389	5.6
70.06599	7.5
70.94262	9.7
71.01357	0.9
71.04993	32.2
71.06110	1.9
71.07368	0.8
71.94109	4.6
71.95270	1.2
72.08157	5.7
73.06557	18.3
77.03884	1.0
79.05497	42.2
80.05045	2.0
80.05807	2.0
81.03423	2.5
81.04530	3.2
81.07057	100.0
82.06579	2.8
82.07387	3.0
83.04984	11.4
83.06102	4.1
83.08619	2.5
84.04494	1.4
84.05632	1.0
84.08142	2.8
85.02927	1.0
85.03998	1.2
85.06586	1.7
85.07661	2.1
86.97363	1.1
88.95293	2.6
91.05483	19.9
93.03403	9.4
93.07046	52.2
94.06580	3.7
94.07363	1.8
95.04972	20.4
95.06071	7.0
95.08598	11.6
96.04514	1.1
96.05621	1.6
96.06874	1.3
96.08125	1.6
97.02912	3.0
97.04001	1.3
97.06524	17.1
97.07642	2.7
98.06075	1.3
98.07205	1.0
98.09725	1.8
98.21423	1.1
99.05606	1.3
105.07029	7.5
107.04955	15.8
107.06093	1.8
107.08597	63.8
108.04495	1.2
108.05612	1.5
108.08124	1.6
108.08955	2.1
108.87320	0.8
109.06533	8.8
109.07649	9.4
109.10169	10.8
109.98892	1.1
110.03659	8.2
110.06044	2.0
110.07244	4.2
110.09616	0.9
111.04446	74.4
111.08076	31.6
111.09187	6.0
111.96886	3.4
112.04777	2.0
112.07614	1.3
112.08748	8.0
112.96736	1.4
113.05888	8.3
113.07133	1.7
117.07021	1.4
119.08591	1.8
121.02890	2.7
121.06511	1.5
123.02745	1.7
123.04485	1.2
123.06709	1.0
125.02361	1.7
125.05064	1.3
125.05999	26.4
125.06976	1.4
125.08230	1.1
125.09637	16.6
126.05477	1.6
126.06528	2.2
126.09203	1.3
126.10262	3.8
127.05037	1.6
129.97931	5.0
130.96291	2.0
130.97725	1.6
131.00136	1.0
135.04434	5.4
135.05484	1.8
135.08064	11.2
135.11690	23.1
136.03966	1.0
136.05103	1.5
136.07587	5.3
136.08699	4.8
136.12071	1.1
137.02347	1.1
137.07057	1.1
137.10764	1.6
138.03149	7.2
138.06760	1.4
138.54228	0.9
148.97345	7.9
149.01236	1.2
153.01842	10.0
153.02859	1.1
153.05482	30.4
153.06552	2.0
153.07703	3.5
153.09122	15.7
153.10231	2.3
153.11368	17.8
153.12749	11.9
153.13922	1.6
154.04988	10.4
154.06100	1.3
154.08582	4.7
154.09737	5.9
154.13329	1.4
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
53.00298	2.1
53.03941	3.0
55.01869	2.7
55.05267	1.4
55.05514	17.0
56.96556	3.6
57.03435	2.1
57.07073	2.2
58.38726	0.9
59.04999	9.6
64.19912	0.9
65.03616	1.3
65.03947	21.2
67.01853	2.2
67.05174	1.2
67.05511	12.8
68.05023	1.3
68.99777	1.7
69.03418	3.9
69.07075	14.9
70.06573	1.5
70.94261	5.3
71.04996	30.4
71.60769	1.7
71.94110	5.4
71.95266	1.3
72.04535	1.1
73.06172	1.7
73.06557	21.7
75.04459	1.9
79.01845	1.4
79.05495	32.3
81.07059	100.0
82.04188	1.6
82.07401	1.8
83.04990	6.9
83.08620	3.1
91.05486	13.4
93.03406	5.5
93.07047	43.8
95.01317	1.3
95.04980	9.8
95.06091	1.1
95.08609	13.3
97.02884	2.0
97.06528	12.6
105.04478	1.3
105.07037	3.5
107.04933	3.7
107.08599	45.8
108.05632	1.3
108.08927	1.3
109.06527	6.2
109.10157	12.9
110.03656	6.7
110.07144	1.8
111.04446	38.4
111.08080	13.8
111.46331	1.0
111.96877	1.9
112.08727	3.4
112.96702	2.1
119.08579	2.3
121.02893	2.7
121.06483	1.7
123.11799	1.2
125.02353	1.2
125.06002	15.8
125.09617	3.7
129.97923	3.3
130.97734	2.0
135.04437	1.5
135.08086	5.0
135.11691	26.0
136.07581	2.4
136.08685	2.7
138.03140	3.8
138.06770	1.7
139.03870	1.3
143.03409	0.9
153.01819	8.4
153.05463	15.7
153.06673	0.7
153.09096	7.8
153.10106	1.2
153.11365	5.1
153.12747	15.4
154.05003	7.8
154.06108	1.6
154.08630	2.0
167.69327	1.1
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	Lyratol
Peak:m/z	Relative Intensity
53.00293	2.3
53.03942	2.5
55.01870	2.2
55.05261	1.1
55.05512	16.3
56.96561	1.1
57.03427	2.5
57.07073	2.2
59.04995	8.5
65.03941	18.8
65.23859	0.8
67.05507	9.1
68.05035	1.7
68.99792	0.7
69.03438	4.2
69.06716	1.1
69.07069	12.5
70.06592	1.3
70.94267	3.7
71.04992	31.7
71.39003	0.7
71.61375	1.3
71.94105	2.2
71.95243	0.9
72.08141	1.3
73.06554	20.9
75.04494	0.8
79.05492	30.6
80.05820	0.7
81.07057	100.0
82.04204	1.4
82.07388	2.2
83.04983	4.8
83.06097	1.1
83.08612	2.5
85.06541	1.4
91.05476	10.2
93.03403	5.4
93.07043	43.8
94.06569	0.9
94.07363	1.1
95.04964	8.6
95.06094	2.2
95.08598	10.1
97.06532	9.9
97.36338	0.7
105.04506	1.1
105.07035	3.1
107.04972	3.2
107.08593	41.9
108.08949	1.1
109.06522	3.4
109.07661	0.9
109.10150	8.6
110.03672	4.6
110.07176	1.5
111.04440	32.2
111.08084	8.4
111.09237	0.7
111.96921	1.3
112.04742	1.7
112.08728	2.3
119.08607	2.0
121.02866	5.6
121.06509	1.1
122.06070	0.8
123.11758	0.9
125.02390	0.7
125.05998	12.7
125.09630	1.8
129.97961	1.3
135.04427	1.3
135.08076	4.3
135.11687	24.8
136.07596	2.7
136.08672	1.5
136.12032	1.3
138.03122	4.5
138.06833	0.7
153.01903	2.5
153.05478	13.6
153.06557	0.5
153.09099	6.3
153.10094	0.7
153.10316	0.9
153.11420	5.0
153.12773	11.7
154.04958	4.9
154.06068	0.8
154.08678	2.4
154.09807	0.9
167.73161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
51.26553	0.7
53.03938	2.0
55.01863	2.7
55.05262	1.1
55.05513	15.2
56.96554	2.9
57.03443	6.1
57.07065	3.2
59.04983	1.3
65.03938	15.3
67.05505	37.5
68.05035	0.9
69.03428	3.6
69.07069	56.3
70.07391	1.5
70.94250	3.2
70.95850	0.9
71.04980	3.4
71.94105	12.4
71.95265	13.3
73.06549	1.2
78.53584	0.8
79.05493	30.6
79.38955	0.8
80.05824	0.9
81.03429	1.6
81.07057	41.6
83.04991	8.4
83.08630	6.5
85.06538	2.4
87.04476	1.1
88.96881	1.4
89.95143	1.5
91.05483	6.8
93.03398	3.2
93.07045	52.9
94.07385	1.3
95.04958	5.8
95.08604	20.8
96.22393	0.8
97.06535	26.1
98.20673	1.6
102.75849	0.9
105.07037	2.8
107.04947	2.4
107.08594	57.5
108.04526	0.8
108.05639	1.0
108.06895	0.9
108.08926	1.8
109.06503	1.7
109.10159	37.0
110.03654	3.9
110.10497	1.8
111.04452	27.5
111.08086	9.9
111.11720	1.7
111.96877	1.9
112.04807	2.2
112.96708	3.1
117.71722	0.9
121.02843	1.7
123.06805	0.8
125.06007	11.6
125.09615	3.0
126.06342	2.2
129.97917	3.5
130.97746	3.2
130.98897	1.3
133.10130	1.5
135.05562	0.9
135.08043	3.0
135.11691	100.0
136.03998	1.3
136.07550	2.7
136.12010	3.6
138.03102	1.9
138.05011	0.9
139.54372	0.9
141.29741	0.9
145.22267	0.8
148.97354	0.9
153.01894	1.9
153.04263	1.5
153.05464	9.7
153.06453	0.9
153.07405	3.8
153.09146	6.8
153.12743	84.6
154.04980	4.2
154.08644	3.1
154.13094	2.4
168.90219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02348	0.8
51.26138	0.8
53.00292	1.4
53.03946	5.3
55.01857	3.7
55.05511	19.6
56.05025	3.1
56.96567	6.7
57.03435	2.2
57.04550	1.8
57.07064	2.8
58.06585	3.0
59.04758	0.9
59.05006	11.3
61.79386	0.9
65.03941	31.2
66.04282	0.9
67.02998	1.7
67.05506	18.5
68.05018	4.4
68.99785	1.6
69.03427	10.4
69.04547	3.4
69.07069	15.4
70.06591	7.2
70.94260	6.8
70.95853	1.6
71.01373	1.1
71.04996	31.8
71.06085	1.1
71.59943	1.4
71.94115	4.9
71.95252	1.5
72.08167	4.1
73.06556	19.3
75.04457	1.2
79.01839	2.5
79.05495	47.0
80.05008	2.2
80.05795	1.7
81.03409	2.5
81.04543	2.7
81.07059	100.0
82.04179	1.3
82.07387	3.1
82.11259	0.8
83.01350	1.3
83.04984	11.8
83.06091	3.2
83.08607	3.8
84.04484	1.4
84.08144	2.8
85.02897	1.9
85.06535	1.0
85.07672	2.6
87.04436	0.8
88.95295	2.6
91.05482	17.1
93.03419	5.9
93.04510	0.8
93.07047	55.6
94.06568	2.4
94.07355	1.4
95.04970	21.8
95.06076	7.4
95.08609	12.3
96.04505	1.5
96.08126	1.8
97.02885	2.7
97.04064	1.1
97.06535	18.1
97.07626	2.9
98.06049	1.5
98.09678	2.3
99.05532	1.0
105.04493	1.4
105.07027	5.4
106.96352	1.7
107.04964	15.6
107.06094	2.1
107.08598	59.2
108.04498	1.7
108.05609	2.9
108.08122	2.6
108.08900	1.8
109.02868	0.8
109.06532	11.1
109.07661	6.1
109.10155	12.4
109.98932	0.8
110.03648	8.1
110.06043	2.2
110.07195	4.9
110.09677	2.9
110.10433	1.1
111.04445	56.4
111.05580	1.5
111.08084	39.2
111.09193	6.2
111.38347	1.0
111.96869	3.1
112.04795	1.9
112.08751	9.8
113.05886	4.9
113.07121	1.2
117.07000	1.7
119.06056	1.6
119.08548	2.3
121.02875	2.9
121.06479	2.4
123.04359	1.2
125.02362	1.9
125.06006	21.9
125.06984	1.3
125.09635	19.6
126.05516	2.3
126.06448	1.2
126.09174	1.1
126.10214	3.9
129.97891	3.5
130.96349	1.2
134.66510	0.8
135.04411	6.0
135.05492	1.6
135.06548	1.2
135.08081	9.9
135.10696	1.8
135.11690	26.7
136.07564	9.6
136.08693	4.2
137.02348	0.9
137.05867	1.1
137.07114	2.0
137.10770	1.3
138.03154	7.1
138.06758	2.3
143.03439	0.9
148.97353	5.3
149.01175	1.0
153.01871	9.5
153.04181	2.5
153.05460	25.5
153.06506	1.4
153.07602	3.7
153.09099	17.5
153.10309	1.3
153.11346	22.3
153.12727	14.9
153.13937	1.9
154.04968	10.4
154.06219	1.7
154.08615	9.3
154.09712	3.6
154.13335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.02391	0.5
53.03947	2.2
55.01875	11.7
55.05513	7.8
56.05030	0.6
56.96557	0.8
57.03436	2.5
57.07066	0.6
59.05002	4.0
61.02942	0.5
65.03941	19.2
66.04279	0.6
67.05505	20.9
68.05031	0.6
68.05813	0.5
68.99789	1.6
69.03429	6.5
69.07074	3.2
70.06587	1.7
70.94243	2.3
70.95868	0.8
71.04993	6.0
71.06120	0.5
71.60418	0.6
71.60766	0.6
71.94107	1.4
71.95252	0.5
72.08160	0.6
79.05493	43.7
80.05005	0.6
80.05809	1.3
81.03416	3.1
81.04517	0.5
81.07050	7.2
82.06590	1.1
83.04982	12.2
83.06092	1.1
83.08621	3.6
84.08154	0.6
85.02908	1.1
88.95309	0.5
91.05482	26.8
92.04990	0.7
92.05782	0.9
93.03417	4.5
93.07043	100.0
94.07365	3.3
95.04969	35.4
95.08595	3.7
96.05280	0.9
97.02886	2.2
97.06540	4.1
97.10157	0.7
105.04499	1.3
105.06390	0.7
105.07034	9.3
106.07341	0.5
107.04969	4.4
107.08595	97.7
108.05589	0.5
108.08166	0.7
108.08916	4.7
109.06522	11.3
109.07319	0.5
109.07615	0.8
109.10152	3.3
110.03667	4.4
110.06053	0.8
110.07143	0.8
111.04442	37.0
111.08079	32.6
111.09258	1.1
111.96861	0.7
112.03952	0.5
112.04795	0.7
112.08736	2.4
112.96640	0.5
115.05453	1.3
117.07016	5.6
119.06070	1.4
121.02861	0.8
121.06497	1.7
123.04417	0.4
123.08052	1.4
124.05173	0.9
124.08737	0.6
125.02374	0.7
125.05994	12.5
125.06976	0.7
125.09628	11.7
126.05497	0.6
126.06457	0.5
126.10106	0.6
129.05469	1.2
129.06393	0.4
129.97900	0.6
130.96300	0.6
135.08052	54.7
135.11690	1.5
136.03940	0.5
136.05017	0.4
136.07533	1.1
136.08461	2.9
138.03120	1.2
138.06769	0.6
139.07538	2.1
144.27679	0.5
148.97350	1.0
149.01260	0.4
150.42345	0.4
153.01836	3.9
153.05486	8.3
153.09105	39.3
153.11363	4.4
153.12726	2.0
154.04996	5.5
154.06068	0.8
154.08592	1.8
154.09721	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.00284	0.7
53.03938	1.1
53.61824	0.4
54.03471	0.8
55.01871	3.5
55.05508	9.2
56.05028	1.2
56.96563	1.8
57.03425	1.6
57.04556	0.7
58.06601	0.8
59.05001	6.7
65.03939	14.0
66.04258	0.4
67.01862	0.7
67.02987	0.8
67.05502	5.4
68.05013	2.0
68.96336	0.7
68.99797	0.9
69.03072	0.9
69.03427	12.5
69.04530	1.0
69.07069	4.7
69.61132	2.9
70.06584	2.0
70.94255	2.5
71.01358	0.6
71.04989	5.4
71.94090	1.3
72.08144	1.5
73.06559	2.6
77.06541	0.5
79.05487	15.0
79.34530	0.4
80.05005	0.9
81.03408	1.7
81.04532	1.0
81.07053	15.6
82.04195	0.8
82.06561	0.8
82.75560	0.5
83.04984	6.5
83.06093	1.5
83.08607	2.8
84.08135	1.4
85.02904	1.0
85.04022	0.7
87.04445	0.5
88.56011	0.4
88.95290	1.2
91.05476	9.5
93.03412	4.8
93.07038	18.5
93.07631	1.1
94.06564	1.2
94.07427	0.5
95.04961	13.3
95.06019	2.2
95.08588	2.8
96.08126	0.5
97.02890	1.5
97.04012	0.7
97.06519	6.2
97.07647	0.7
97.10174	0.7
98.06050	0.7
98.07208	0.5
98.09693	0.7
98.20701	0.6
99.05575	0.7
105.04541	0.5
105.07021	3.4
107.04945	7.6
107.06081	0.6
107.08590	22.3
108.04464	0.5
108.05595	1.1
108.08124	0.6
108.08931	0.5
109.06513	5.8
109.07635	2.7
109.10150	3.1
109.98965	0.6
110.03658	3.1
110.06067	0.7
110.07241	3.1
111.04439	32.1
111.08074	100.0
111.96881	1.5
112.04846	1.0
112.07589	1.1
112.08616	3.2
112.96690	0.5
113.05864	2.4
113.07124	1.1
117.07020	0.9
119.06072	1.5
119.08558	0.6
121.02882	0.8
121.06476	0.6
123.04429	0.7
123.08011	0.5
125.02356	0.5
125.05992	10.7
125.09624	50.2
126.05501	0.6
126.06572	0.7
126.09158	0.9
126.10068	2.3
129.97911	1.4
135.04407	2.1
135.05360	0.5
135.08044	8.7
135.11684	3.4
136.03952	0.8
136.04982	0.5
136.07547	1.5
136.08669	2.0
137.07121	0.9
137.10722	0.6
138.03116	2.6
138.06763	0.9
139.06340	0.8
148.97345	1.7
153.01866	2.7
153.04286	0.5
153.05449	13.5
153.06349	0.7
153.07727	1.1
153.09103	18.4
153.11353	6.5
153.12740	3.7
154.04984	2.6
154.06042	0.8
154.08617	7.5
154.09694	2.1
167.37624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
51.28204	0.5
53.00303	0.7
53.03933	2.1
54.03461	1.1
55.01867	2.2
55.05510	4.3
56.05023	1.6
56.96561	2.8
57.03426	1.5
57.04535	0.7
57.07068	0.6
58.06596	1.0
59.04988	0.6
59.06114	0.8
59.06627	0.6
65.03609	1.1
65.03941	21.1
66.06261	0.6
67.01862	0.7
67.02974	1.7
67.05508	5.5
68.05039	2.8
68.96336	1.2
68.99789	1.3
69.03442	3.9
69.04536	2.2
69.07069	3.7
69.61189	4.8
70.06583	4.6
70.94255	3.9
70.95862	0.8
71.04974	1.4
71.67860	0.5
71.94093	1.9
72.04524	0.6
72.08154	2.3
77.03921	0.7
79.01842	0.9
79.05059	1.1
79.05492	13.9
80.05057	1.4
80.37864	0.5
81.03412	2.1
81.04537	3.2
81.07052	5.1
82.04189	1.6
82.06567	1.7
83.01328	0.9
83.04986	5.1
83.06091	2.4
83.08620	0.9
84.04502	1.0
84.08141	0.9
85.02901	1.0
88.95282	1.9
88.96893	0.6
91.05472	5.9
92.02602	0.9
93.03413	5.6
93.07044	9.4
94.06570	1.4
95.04967	8.9
95.06084	4.4
95.08608	2.9
96.04475	0.9
96.05624	1.0
96.08150	0.7
97.02874	1.7
97.04016	1.0
97.06538	5.9
97.07650	1.9
98.06014	0.8
98.07173	0.9
99.05568	0.8
103.20577	0.6
105.07033	2.1
107.04958	12.2
107.06093	1.0
107.08598	12.0
108.05637	1.2
108.08105	1.9
108.08857	0.5
109.06512	3.9
109.07636	4.4
109.10143	4.2
110.02892	1.0
110.03661	28.4
110.07169	3.0
111.04447	41.3
111.08072	7.0
111.09193	2.5
111.96878	1.2
112.04766	0.8
112.07581	1.0
112.08743	5.3
113.05876	5.9
113.07115	1.0
117.06994	0.9
119.06065	0.8
121.02896	1.7
121.06416	0.7
123.04427	2.7
123.06759	0.6
124.07575	1.0
125.02352	0.9
125.06003	16.7
125.06985	1.3
125.09621	4.0
126.05480	1.0
126.06618	1.2
126.09193	0.5
126.10275	1.6
129.97897	2.0
130.26079	0.6
130.96359	1.0
130.97850	0.6
135.04463	3.6
135.05467	1.1
135.06628	0.9
135.08047	5.6
135.09076	0.7
135.11691	2.0
136.03989	0.8
136.05042	1.1
136.07549	2.7
136.08653	2.1
137.02316	3.4
138.03123	34.9
139.03429	0.9
148.97377	3.5
149.01219	1.0
151.03941	0.6
153.01906	7.0
153.05469	100.0
153.07591	3.0
153.09045	8.0
153.10257	1.3
153.11349	10.7
153.12692	2.3
154.04861	5.2
154.05943	1.6
154.08612	2.0
154.09749	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	153.0547
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
53.03939	1.5
55.01864	1.7
55.05515	3.6
56.96563	3.0
57.03428	0.7
57.07059	0.6
59.04996	0.5
65.03941	22.1
66.04256	0.5
67.01880	0.8
67.05168	0.7
67.05505	7.1
68.05013	0.6
68.99780	1.4
69.03425	4.6
69.07069	4.2
70.94250	5.2
70.95880	0.5
71.01338	0.5
71.04975	1.2
71.61015	0.7
71.94105	5.6
71.95266	2.7
75.04477	0.7
78.91005	0.4
79.05070	0.6
79.05495	10.4
80.05829	0.5
81.03410	1.7
81.07055	4.6
82.04190	5.0
82.06593	0.5
83.01342	0.6
83.04984	5.1
83.06096	0.8
83.08622	1.3
85.02910	6.5
85.06583	0.4
87.04478	0.5
88.95296	2.2
89.47628	0.4
89.95141	1.1
91.05486	3.6
93.03406	6.1
93.07037	7.0
95.04972	7.1
95.08598	2.7
96.12197	0.5
97.02887	1.1
97.05912	0.6
97.06527	10.4
97.55211	0.4
105.07036	0.8
106.96333	0.8
107.01366	0.5
107.04947	4.1
107.08595	8.5
108.08145	0.4
108.81391	0.4
109.02881	0.5
109.06518	2.3
109.10155	2.4
110.03661	14.5
110.07163	1.0
111.04447	34.4
111.08055	4.7
111.09214	0.6
111.96867	2.3
112.04749	0.7
112.08734	1.4
112.96693	1.5
117.07005	0.6
121.02851	2.6
121.06484	1.3
123.04424	0.9
125.02347	0.9
125.05997	27.7
125.09597	2.3
126.06346	1.1
129.97881	2.9
130.97740	1.2
135.04410	1.8
135.05423	0.7
135.08032	4.1
135.11676	2.9
136.07568	1.9
137.60353	0.6
138.03120	43.7
139.03444	0.8
148.97299	0.6
149.01259	0.7
153.01930	6.1
153.05467	100.0
153.09062	7.5
153.11382	1.6
153.12735	3.9
154.04973	2.9
154.06091	2.3
154.08620	1.5
165.82848	0.5
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	Paracetamol
Peak:m/z	Relative Intensity
56.05012	0.2
56.80217	0.2
56.96552	0.7
58.06581	1.0
59.07368	0.5
61.02911	0.3
65.03925	0.9
66.04663	0.2
67.05499	0.4
69.03419	0.4
70.99427	0.4
76.14533	0.2
79.05500	0.4
92.05004	2.5
93.05779	1.4
94.06532	0.5
96.04478	0.3
106.06533	0.8
107.07301	0.4
108.08117	0.8
109.05143	0.3
110.03540	1.3
110.06041	9.6
111.06364	0.3
114.12791	0.3
122.06035	2.6
123.06763	0.3
124.07594	1.1
125.04737	1.0
128.04555	0.5
128.98593	0.4
132.09657	0.2
134.04561	0.2
134.06056	1.4
135.03009	1.0
138.05476	0.8
146.99620	0.5
151.62604	0.3
152.05711	9.4
152.07047	100.0
153.04074	3.2
153.07448	3.1
162.61552	0.2
165.00725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	Paracetamol
Peak:m/z	Relative Intensity
54.86759	0.1
55.02988	0.5
56.05027	0.2
56.96564	1.9
57.03421	0.4
58.06591	0.2
59.13390	0.1
63.49911	0.1
65.03932	0.7
67.05489	0.3
69.03421	0.4
70.06602	0.1
70.67278	0.4
70.98130	0.1
73.02917	0.2
79.05482	0.5
80.02496	0.1
81.03386	0.2
81.04498	0.2
81.05835	0.2
82.04057	0.5
84.08123	0.2
85.02890	0.4
92.05000	2.3
93.05773	1.3
94.06599	0.3
95.04957	0.1
96.04478	0.1
96.08138	0.3
97.02895	0.3
97.05166	0.2
98.01292	0.4
98.97573	0.6
99.04373	0.2
106.06548	0.7
107.03568	0.2
107.04967	0.6
107.07339	0.3
108.04404	0.2
108.05625	0.5
108.08126	0.7
109.05130	1.3
110.03529	4.2
110.06040	9.1
110.97543	0.3
111.06361	0.2
111.72793	0.1
116.98624	0.5
119.01863	0.3
121.85786	0.1
122.06025	1.9
123.06852	0.6
124.03964	0.3
124.07591	0.7
124.08384	0.1
125.04691	1.0
125.06979	0.2
127.06171	0.4
128.04572	2.5
128.98610	0.6
134.04564	0.6
134.06029	2.8
134.99649	0.3
135.03018	4.1
135.05324	0.2
135.06616	0.7
136.05074	0.6
138.05469	0.8
143.09055	0.1
146.99643	0.4
152.05696	36.5
152.07056	100.0
153.04076	11.9
153.05116	0.2
153.06078	0.5
153.07399	3.1
154.02470	0.4
158.99792	0.2
167.21492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
56.96574	1.4
57.03434	0.6
58.06363	0.2
58.06600	2.6
59.07388	1.8
60.04517	0.3
60.08139	0.3
61.02909	0.3
65.03925	0.8
66.73000	0.2
67.05502	0.5
67.97334	0.2
68.05022	0.4
69.03419	0.8
69.70007	1.2
70.06577	0.5
71.95244	0.3
72.47890	0.2
73.02896	0.4
74.06060	0.3
79.05476	0.6
79.65525	0.2
80.04991	0.2
81.03381	0.3
84.08156	0.4
87.23597	0.2
92.05001	2.5
93.05776	1.8
94.06550	0.7
98.06049	0.4
98.20813	0.3
98.97544	0.3
99.04474	0.5
100.11238	0.2
100.35424	0.2
106.06590	1.7
107.01789	0.3
107.07344	0.5
108.08111	1.1
110.03526	1.2
110.06049	10.8
110.97601	0.5
111.06353	0.2
114.12771	0.3
116.98601	0.3
119.01933	0.3
122.06018	2.0
122.36911	0.2
123.06835	1.0
124.07571	1.8
125.04729	1.3
128.04530	0.5
128.98642	1.1
134.06010	2.2
135.03009	1.2
138.05490	1.0
139.73280	0.2
146.99672	1.4
147.01370	0.2
151.62535	0.7
152.05717	12.1
152.07053	100.0
152.10646	1.5
153.04082	3.9
153.07465	2.5
164.39476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02991	0.8
56.96552	1.0
58.06586	0.2
59.07380	0.3
60.90816	0.2
68.05033	0.2
70.06593	0.2
70.13635	1.0
73.58495	0.2
76.33030	0.2
82.04051	0.4
82.70353	0.2
87.24788	0.2
94.06593	0.3
96.08142	0.3
100.11270	0.4
107.03544	0.5
107.04928	0.3
109.05132	1.6
110.03527	10.3
110.06062	0.4
111.04450	0.4
111.09269	0.3
125.05942	0.2
128.04561	6.1
128.98624	0.5
132.69411	0.2
134.04616	1.7
134.06021	0.3
135.03026	12.5
136.01395	0.4
146.99622	0.3
152.05682	100.0
153.04080	38.9
153.05872	1.6
154.02475	1.0
154.04541	0.5
159.95293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
51.08608	0.2
53.03950	0.6
55.01884	0.3
55.05511	6.8
56.96564	0.4
57.03430	0.4
57.07079	1.3
59.20991	0.2
65.03940	1.8
67.05507	87.1
68.05838	1.6
69.07071	4.5
69.33744	0.5
69.34157	1.9
71.08649	0.3
79.05495	4.8
81.07060	46.3
82.07399	1.0
83.08615	1.2
87.89788	0.2
91.05482	1.7
93.07045	4.6
95.04995	0.6
95.08610	100.0
96.08944	2.8
97.10185	0.3
105.07028	1.3
106.06583	0.3
107.08591	1.6
109.06514	1.0
109.10160	48.6
110.10498	1.6
123.04491	0.3
123.08079	0.8
123.11703	0.7
124.07599	0.3
133.06526	0.3
133.10139	0.3
146.99637	0.2
151.03896	0.7
151.07576	1.4
151.11205	2.1
151.14825	9.2
152.01642	0.3
152.07042	0.3
152.15178	0.4
158.23619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	guanine
Peak:m/z	Relative Intensity
50.65536	0.2
51.16304	0.2
53.03931	0.2
55.02990	1.0
56.96568	1.8
57.03427	0.5
58.06600	1.0
59.07370	0.6
60.49268	0.2
65.03924	0.8
67.05484	0.2
69.03423	0.3
70.06577	0.6
70.61653	0.3
70.94244	0.2
79.05493	0.5
81.05770	0.2
81.07043	0.2
82.04055	0.8
83.06105	0.2
84.08118	0.3
85.53789	0.2
92.04996	0.7
93.03398	0.3
93.05777	0.4
94.06563	0.4
95.04978	0.2
96.08157	0.4
97.07675	0.2
98.01315	0.4
98.97591	0.6
106.06538	0.5
107.03557	0.6
107.04940	0.5
107.06071	0.2
108.08123	0.6
109.05136	2.9
109.07629	0.5
110.03526	14.4
110.06039	2.4
110.97581	0.4
111.04458	0.8
111.09236	0.2
115.01568	0.2
116.91203	0.2
116.98613	0.5
119.01883	0.2
122.06018	0.6
123.06802	0.3
124.03934	0.2
124.07579	0.7
125.04669	0.4
128.04565	8.4
128.98640	0.5
133.03525	0.2
134.04602	1.6
134.06042	2.1
134.07005	0.3
135.03018	17.9
136.01430	0.6
146.99666	0.6
151.62549	0.3
152.05676	100.0
152.07036	21.8
153.04073	50.3
153.06059	1.9
153.07439	0.9
154.02516	1.4
154.04495	1.0
165.00722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03949	2.0
55.01868	1.1
55.05511	7.2
56.05038	0.9
56.96574	1.7
57.03442	1.3
57.07077	16.5
58.06641	0.6
59.05015	0.9
60.77068	0.7
65.03944	4.8
67.05505	45.1
68.05037	1.4
68.05859	1.0
68.99815	0.8
69.03439	2.2
69.07066	10.5
70.06603	1.1
70.15237	2.1
70.15659	1.7
71.08630	5.0
73.90333	0.6
76.15966	0.8
79.05497	8.3
80.05019	1.1
81.03422	2.0
81.07059	47.4
82.07380	1.5
83.06122	1.6
83.08623	2.4
85.02900	0.9
91.05473	11.7
93.07050	9.3
95.04984	9.9
95.08607	100.0
96.08150	1.3
96.08932	2.1
98.20805	0.7
105.03400	0.8
105.07038	12.0
107.08593	8.6
108.02105	3.0
108.05720	2.0
109.06518	12.8
109.10157	81.5
110.06059	0.8
110.07191	4.0
110.10497	3.1
111.04421	0.9
111.07965	8.0
116.48180	0.7
119.04979	2.8
121.06554	1.2
121.10172	2.1
122.07285	1.2
123.04441	3.1
123.05578	0.9
123.08083	13.7
123.11714	11.0
124.07590	1.8
124.08612	1.0
131.08539	1.2
133.02878	0.9
133.06529	1.1
133.10146	4.6
134.07114	1.4
135.08078	1.9
136.05260	1.2
136.08824	8.9
141.05441	1.9
147.01715	0.7
151.02840	1.1
151.03914	15.2
151.05063	4.1
151.07571	9.1
151.09930	3.0
151.11182	92.8
151.14807	19.3
152.01656	1.2
152.07065	1.7
152.08180	0.8
152.11578	3.9
152.15202	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83008	0.3
53.03946	1.2
53.92814	0.3
55.01864	0.4
55.05510	7.3
56.96561	2.0
57.03423	0.4
57.07076	1.1
61.02933	0.3
63.92546	0.3
65.03932	1.7
66.33064	0.3
67.05505	64.8
68.05840	1.2
68.72872	0.3
68.93553	0.3
68.95288	0.6
69.03418	0.8
69.07067	3.8
71.08624	0.4
71.37801	0.6
73.02908	0.5
79.05491	11.2
80.05042	0.6
80.05804	0.4
81.03436	0.9
81.07057	92.3
82.07395	2.3
83.04968	0.7
83.08614	1.3
85.02922	0.5
91.04956	0.4
91.05481	2.9
91.58369	0.4
92.01331	0.4
93.07042	5.1
95.04977	2.2
95.08607	100.0
96.01556	0.4
96.08112	0.3
96.08389	0.3
96.08931	2.3
96.13003	0.3
98.97582	0.7
105.07025	2.7
107.08589	3.0
109.06519	2.2
109.10156	36.7
110.01248	0.4
110.05974	0.3
110.10485	1.2
116.48178	0.6
116.98606	0.5
119.01812	1.1
123.04419	0.8
123.08064	2.0
123.08920	0.3
123.11701	1.1
124.07526	0.4
125.48666	0.4
128.02287	1.0
128.98672	0.3
132.51341	0.3
133.06479	0.7
133.10152	2.1
134.99637	0.4
137.02826	0.3
139.53123	0.3
146.02893	0.4
146.99617	0.7
151.02820	0.6
151.03902	1.4
151.04953	0.4
151.06317	0.5
151.07518	2.5
151.08594	0.5
151.11186	6.1
151.14821	7.6
152.01616	0.8
152.05814	0.3
152.07040	1.6
152.08105	0.5
152.15094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68117	1.2
54.74166	1.1
55.01849	4.7
55.05496	2.1
56.96564	100.0
57.03441	13.9
60.04496	1.5
60.95869	1.7
61.02919	11.5
65.03938	2.3
65.58843	1.2
67.05512	7.1
67.93556	2.8
68.05030	10.0
68.45306	3.4
68.93571	4.9
68.94338	4.8
68.95287	26.6
69.03421	12.1
69.04559	2.5
69.07062	2.8
70.23495	3.8
71.01337	1.3
71.04968	2.0
71.95261	2.7
73.02916	20.6
74.97586	4.8
77.00805	6.4
79.05497	6.0
81.01015	2.3
81.03416	5.7
81.07058	12.3
82.01801	1.5
83.00780	7.4
83.06130	1.8
83.67596	1.2
84.01530	2.1
84.05621	1.5
84.96023	3.9
85.02907	17.9
86.01300	2.6
86.03696	1.6
89.00776	5.8
90.01063	1.4
90.01563	12.6
91.02341	1.6
91.05467	5.6
92.01292	8.1
93.07034	4.5
94.51556	1.8
95.00726	1.4
95.04991	6.8
95.08601	8.2
96.01560	10.1
97.00500	3.3
97.02377	1.3
97.02907	10.0
97.07683	1.6
97.96727	1.4
97.99184	5.6
98.01298	12.5
98.97585	37.8
99.02087	4.4
99.04462	3.0
100.02457	3.2
100.51562	1.6
101.00752	5.4
101.52341	3.0
104.01276	8.1
105.00377	1.5
105.02037	6.1
105.07054	6.2
106.01039	2.6
107.01848	8.4
107.02509	2.1
107.08585	2.1
107.47620	7.6
107.52319	3.7
109.02885	5.1
109.06500	5.4
109.07635	4.6
109.10155	2.7
109.52061	5.6
110.01273	25.4
110.06013	1.3
110.07166	8.1
110.51419	2.1
110.97549	8.6
111.02061	1.6
111.07954	20.7
113.01795	2.4
115.52058	2.3
115.98027	2.0
116.00204	5.5
116.01262	4.6
116.03107	4.7
116.48158	18.3
116.50982	1.6
116.52779	2.3
116.53474	2.6
116.98621	35.2
117.00172	2.1
117.02020	2.2
117.51701	1.6
118.03487	2.4
118.52587	1.6
118.98393	3.0
119.01798	39.1
119.51955	3.8
120.02610	2.6
121.02891	1.8
121.10139	1.3
121.52066	7.6
123.04464	2.7
123.05514	1.7
123.08044	4.6
123.09177	2.6
123.11707	3.4
124.07631	2.4
124.08619	1.7
125.01771	1.8
125.03647	1.3
125.05426	2.8
125.48680	8.4
126.00758	1.4
127.03905	4.2
127.52096	2.6
127.97231	1.2
127.98902	4.3
128.02321	43.3
128.03265	2.1
128.52534	2.2
128.98601	19.2
129.03087	4.6
130.52579	13.4
131.00165	1.4
131.02724	1.4
133.02840	1.9
133.10146	3.0
133.23398	1.4
133.98909	1.2
134.06015	2.9
134.07011	1.3
134.99655	23.2
136.49585	1.2
136.56332	1.4
136.99434	1.6
137.02803	14.7
137.05504	1.7
137.53342	1.7
139.53081	11.9
140.00177	5.1
140.03264	2.0
140.53856	1.4
140.95116	1.2
142.96765	2.9
143.00163	1.3
143.96648	2.3
144.98199	1.7
145.01694	1.2
145.98294	2.2
146.03076	1.5
146.97464	2.9
146.99652	35.2
148.53618	3.9
149.01239	1.4
151.02811	2.1
151.03891	9.4
151.05002	2.8
151.06194	1.5
151.07487	5.6
151.08665	3.4
151.09772	13.1
151.11171	9.4
152.05838	1.2
152.07040	4.3
152.08110	1.4
153.00716	3.1
154.90712	2.2
158.01213	5.0
158.99683	2.8
161.01225	3.1
162.99112	3.2
163.03908	2.0
165.00745	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	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02375	0.7
51.99902	0.6
53.03946	3.9
54.03474	1.2
55.01632	0.8
55.01874	9.2
55.05506	5.3
56.05018	2.4
56.96562	7.1
57.03429	2.0
57.07048	1.1
58.06594	1.3
59.04972	0.7
65.03938	17.3
66.04274	0.7
67.01839	1.4
67.05503	29.3
68.05027	7.8
68.95266	0.7
68.99776	2.5
69.03415	4.3
69.04536	2.5
69.07066	1.1
70.06593	3.5
71.01356	1.0
71.04995	1.0
71.06126	0.8
71.59084	1.0
73.03995	0.9
74.97630	0.8
75.05589	0.9
77.00801	0.6
77.03921	1.7
79.05058	0.7
79.05491	9.4
80.02622	1.8
80.05009	2.5
81.03411	3.1
81.04549	1.3
81.05778	0.7
81.07056	21.9
82.06596	3.3
82.07351	0.6
83.04971	1.3
83.06092	6.4
84.05577	0.7
84.08147	0.9
85.02908	1.4
87.04434	0.7
90.94259	0.5
91.05488	22.0
92.05819	1.0
93.03413	1.0
93.04527	1.7
93.07037	10.4
94.06550	2.3
95.01311	1.6
95.04967	24.3
95.06006	3.3
95.08601	11.2
96.04485	0.8
96.05686	1.2
96.08129	3.1
96.08678	0.5
97.06477	0.9
97.07643	4.1
98.01283	0.9
98.97601	0.8
99.02048	1.2
103.05472	1.5
103.83073	0.6
105.03379	2.0
105.04511	1.9
105.07027	17.5
106.06554	1.3
107.04939	2.5
107.06087	2.9
107.08598	8.8
108.02100	18.3
108.04474	1.0
108.05682	2.0
108.08102	0.8
109.02914	3.5
109.04790	0.8
109.06522	12.5
109.07632	8.2
109.10156	8.3
110.01257	1.2
110.06023	1.4
110.07178	12.5
110.07896	0.9
110.09652	0.6
110.46767	0.5
111.04445	4.8
111.05544	1.5
111.07960	24.7
111.08720	1.7
111.09245	1.7
111.33333	0.6
112.01566	1.5
112.09968	1.1
115.05384	0.6
116.98629	1.3
119.01807	1.0
119.04948	6.6
121.03992	1.9
121.06535	1.4
121.10098	1.0
122.02387	5.9
123.04422	20.5
123.08076	10.0
123.09093	1.4
123.11691	5.5
124.07574	2.8
124.08692	5.6
124.09550	1.3
125.07090	1.3
127.03912	0.7
128.02327	1.5
128.98613	0.8
131.08549	0.6
133.02849	1.0
133.06477	2.7
133.07458	0.8
133.10124	5.6
134.06033	1.7
134.07143	4.8
134.99619	1.1
135.05528	0.7
135.09172	2.1
136.01541	2.7
136.05150	1.6
136.08760	1.2
140.03412	3.2
140.54591	0.6
141.05453	18.9
146.99646	2.0
151.03888	100.0
151.05029	25.8
151.07516	20.9
151.08624	2.8
151.09787	13.5
151.11156	20.2
151.97421	3.7
152.01668	3.0
152.03217	1.3
152.04265	4.3
152.05638	4.5
152.07024	4.6
152.08156	2.9
152.11719	3.3
152.61102	0.6
153.04126	1.6
164.80798	0.5
165.00735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0551
Annotation	Napqi
Peak:m/z	Relative Intensity
51.02373	0.4
53.03953	2.7
54.03460	1.1
54.63390	0.4
55.01880	2.1
55.05511	0.6
55.93553	0.4
56.05035	60.5
56.96563	5.7
57.03434	5.0
57.05367	1.0
58.06606	0.7
59.04996	1.0
61.01149	40.0
61.02924	0.5
62.06112	0.6
65.03944	3.3
66.04276	1.4
67.05505	10.9
68.02646	0.8
68.05020	1.3
68.99793	0.5
69.03417	2.2
69.04543	0.4
70.06595	0.7
70.42226	0.8
70.42616	1.4
70.98113	0.6
70.99468	0.4
71.04986	1.9
72.04493	0.4
73.02920	1.4
74.02443	4.7
74.06081	4.7
75.02701	0.4
75.04517	0.4
78.52974	0.8
79.05495	3.1
79.51934	0.8
80.05016	28.9
81.03414	12.5
81.05333	0.6
81.07058	1.2
84.04514	2.6
84.08142	1.2
85.02903	4.0
85.53719	0.6
86.03695	1.3
86.06075	1.1
86.52696	0.6
87.02689	8.8
87.04472	1.3
87.53494	1.1
88.02679	0.7
88.07623	0.9
90.52931	0.8
90.94820	0.5
91.05465	1.9
93.01930	0.5
93.07023	0.7
93.53442	0.5
94.06567	24.4
94.67458	0.5
95.01345	0.5
95.04971	6.6
95.06874	0.6
95.08572	0.6
96.04479	1.3
97.02927	0.5
98.97578	0.8
99.04459	0.5
99.53450	1.6
100.00118	0.4
100.02482	5.3
100.03489	0.7
100.05244	1.1
101.00851	0.4
102.02339	0.5
102.05545	11.5
104.05328	34.7
104.07104	1.8
104.52709	1.2
104.55992	0.7
105.00172	0.5
105.03790	0.5
105.07046	1.4
106.04052	0.6
106.06561	7.4
107.06050	0.4
107.08608	0.9
108.04478	58.7
109.02876	3.6
109.04828	1.5
109.06481	0.7
110.01286	0.6
110.06046	1.2
111.02950	0.5
111.04382	0.6
113.00866	0.5
113.53201	1.4
115.02438	2.1
116.98602	0.6
118.01151	1.8
118.03501	3.9
118.51398	1.7
119.01935	3.3
119.03636	0.5
119.04954	0.5
121.05148	0.4
122.03195	2.9
122.06028	17.5
122.53690	1.1
123.04417	1.8
123.06503	0.8
123.08043	1.2
123.09205	2.4
123.11718	0.5
124.05063	0.9
127.02466	0.5
127.07030	1.0
128.98579	0.5
129.54518	1.0
130.02098	0.5
131.01903	2.0
132.04410	0.9
132.06537	1.2
132.10187	0.6
133.03194	22.5
133.04922	2.1
133.07649	0.5
134.06036	1.0
134.99672	0.5
137.02942	1.1
141.02716	3.7
142.03496	1.9
145.03462	4.8
146.03557	0.8
149.02922	0.5
150.02794	7.2
150.05502	100.0
150.07710	8.2
150.09087	2.8
150.11220	1.1
151.02808	0.6
151.03902	1.8
151.05917	4.2
151.07472	1.1
151.08638	3.3
151.11137	0.7
152.07018	1.0
154.03467	0.9
157.03468	0.6
161.02873	0.5
163.04518	0.7
168.06528	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03949	6.6
55.01882	1.2
55.05514	14.6
56.96557	3.7
57.07067	1.5
59.57593	0.8
65.03946	24.5
67.05510	7.9
69.07070	17.7
69.81303	2.2
69.81717	3.1
73.95258	0.8
74.17200	0.8
77.03909	0.8
79.05496	51.8
80.05822	2.1
81.07063	32.3
83.08624	2.0
89.03915	1.9
91.02307	1.1
91.05486	36.5
93.03414	6.3
93.07047	100.0
94.07379	3.1
95.04984	9.5
95.08615	6.4
95.11426	0.9
98.21485	1.9
103.05455	2.0
103.16209	0.8
105.04502	1.9
105.07033	12.1
107.04961	2.0
107.08599	68.4
108.04482	2.0
108.08900	2.3
109.06538	4.4
109.64446	0.9
111.04448	6.3
114.21324	0.8
119.06123	1.5
119.08593	3.0
121.01999	2.1
121.02873	26.5
121.03970	6.2
121.06518	3.9
121.10140	21.5
122.07224	1.2
123.08069	1.2
131.04913	1.0
131.08618	1.3
135.05594	1.1
136.13257	0.9
149.02353	45.1
149.05927	1.8
149.08334	1.6
149.09634	8.2
149.12051	1.2
149.13264	24.7
150.02736	2.3
154.83417	0.8
167.03398	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
52.47102	0.8
53.03953	6.9
55.01867	1.6
55.05515	5.6
56.96557	1.7
65.03942	52.5
66.04269	2.0
67.05502	13.2
69.03400	0.9
69.07069	7.9
71.42155	0.9
71.42500	1.6
77.03892	0.7
77.84477	0.8
79.05496	22.7
80.05810	1.0
81.03424	1.2
81.07058	35.6
82.07380	0.9
83.08633	2.1
88.00039	0.8
91.05482	11.4
93.03399	13.3
93.07043	38.6
94.07371	1.8
95.04964	14.4
95.08601	6.1
98.03679	2.0
102.44864	0.7
103.05470	2.6
105.03394	100.0
105.04532	3.5
105.07037	7.3
106.03715	4.5
107.05002	2.1
107.08599	28.6
108.04491	1.6
108.08888	1.1
109.06545	1.2
111.04464	11.9
116.06245	1.3
119.08547	1.7
121.02870	51.2
121.03970	12.3
121.06480	1.6
121.10147	10.2
122.03208	3.0
122.54639	0.9
131.04907	0.9
131.08601	1.5
149.02348	90.6
149.05981	28.9
149.09610	8.6
149.13261	14.3
150.02667	6.0
150.05467	2.0
150.06537	1.3
150.07726	0.8
150.13649	1.3
167.03401	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.00317	2.4
53.03939	5.3
55.01880	2.0
55.05497	5.9
56.96551	1.5
57.07081	1.9
58.91821	1.5
65.03941	58.7
66.04283	1.7
66.72378	1.3
67.05496	4.7
68.99770	1.5
69.03429	1.6
69.07059	8.1
71.61227	2.0
78.04700	2.3
79.05490	28.0
80.32724	1.5
81.07056	7.9
83.70175	1.5
89.03899	6.2
91.05479	41.7
92.05798	3.0
93.03409	13.2
93.06472	2.3
93.07043	42.3
94.00858	1.5
94.07354	2.2
95.04966	10.1
95.06086	1.4
95.08609	2.9
98.03651	2.0
103.05490	8.1
105.04510	1.7
105.07030	56.6
106.04202	2.7
106.07260	1.7
106.07883	1.8
106.28041	1.4
107.04938	4.1
107.08592	58.9
108.04483	1.8
108.08859	3.3
109.06493	7.0
110.08424	2.2
111.04436	13.3
115.05504	1.5
116.06255	3.8
117.03336	1.7
119.08575	13.9
120.09400	2.4
121.02865	60.0
121.03963	11.2
121.06515	9.7
121.10143	100.0
122.03235	1.6
122.07128	5.0
122.10474	5.2
123.08122	8.6
131.04921	1.8
131.08549	5.1
133.07594	3.4
133.10114	8.0
134.03656	1.5
134.10902	5.4
149.02339	90.8
149.05971	7.4
149.08253	4.8
149.09607	28.1
149.13260	21.0
150.02664	5.3
150.05508	3.9
150.06578	1.7
150.10028	2.2
167.03429	4.2
169.03514	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.02372	0.9
52.47102	0.8
53.03953	6.9
55.01867	1.6
55.05515	5.6
56.96557	1.7
65.03942	52.5
66.04269	2.0
67.05502	13.2
69.03400	0.9
69.07069	7.9
71.42155	0.9
71.42500	1.6
77.03892	0.7
77.84477	0.8
79.05496	22.7
80.05810	1.0
81.03424	1.2
81.07058	35.6
82.07380	0.9
83.08633	2.1
88.00039	0.8
91.05482	11.4
93.03399	13.3
93.07043	38.6
94.07371	1.8
95.04964	14.4
95.08601	6.1
98.03679	2.0
102.44864	0.7
103.05470	2.6
105.03394	100.0
105.04532	3.5
105.07037	7.3
106.03715	4.5
107.05002	2.1
107.08599	28.6
108.04491	1.6
108.08888	1.1
109.06545	1.2
111.04464	11.9
116.06245	1.3
119.08547	1.7
121.02870	51.2
121.03970	12.3
121.06480	1.6
121.10147	10.2
122.03208	3.0
122.54639	0.9
131.04907	0.9
131.08601	1.5
149.02348	90.6
149.05981	28.9
149.09610	8.6
149.13261	14.3
150.02667	6.0
150.05467	2.0
150.06537	1.3
150.07726	0.8
150.13649	1.3
167.03401	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03950	4.3
55.01864	2.0
55.05513	4.9
57.03410	0.7
65.03942	14.2
67.05482	1.7
69.03436	0.7
69.07071	5.1
71.18599	1.9
77.03931	1.5
78.04707	0.9
79.05492	27.2
80.05046	1.0
80.05824	1.5
81.07060	6.3
83.71267	0.6
89.03893	1.4
91.05483	31.4
92.05797	1.2
93.03422	3.3
93.07043	49.8
93.51585	0.6
94.07368	2.3
95.04974	8.4
95.08586	1.1
98.03629	0.6
102.16612	0.7
103.05471	6.8
105.04494	1.4
105.07029	37.0
106.04137	0.7
106.07884	3.5
107.04961	36.3
107.08598	18.4
108.04570	0.7
108.05281	1.4
108.08873	0.8
109.06507	1.7
111.04447	2.3
115.05450	2.1
116.06247	4.5
119.08564	6.6
121.02864	12.2
121.03976	3.2
121.06497	4.1
121.10146	33.5
122.07167	1.0
122.10464	1.9
123.08112	4.4
129.06975	2.2
131.04985	0.6
131.08568	5.7
132.08847	0.7
133.06525	0.9
133.07596	0.9
134.03679	0.7
134.07256	1.5
141.08154	0.6
149.02345	19.3
149.03491	1.4
149.09621	100.0
149.13226	4.9
150.02654	1.9
150.05463	0.7
150.09985	7.3
150.13588	0.7
151.83133	0.5
167.03397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03953	5.0
55.01858	2.6
55.05517	4.4
56.96550	1.3
57.03421	2.0
59.68235	0.8
65.03945	16.5
67.05493	3.6
68.65202	1.0
69.07054	3.7
71.12766	2.6
76.53265	1.1
79.05065	1.7
79.05497	23.8
80.01039	1.1
80.05029	1.1
81.07055	6.5
89.03929	1.9
91.05482	36.8
93.03408	4.4
93.07045	54.4
94.07394	1.8
95.04960	10.5
95.08595	1.1
103.05479	7.6
105.04503	2.0
105.07031	35.9
106.07920	4.7
107.04964	34.3
107.05502	0.5
107.05712	1.0
107.08598	22.3
108.04552	1.0
108.05259	1.3
109.06470	1.5
111.04443	3.9
115.05433	2.0
116.06236	6.4
119.08588	7.0
121.02865	23.4
121.03960	4.1
121.06498	6.1
121.10146	35.4
122.03299	1.0
122.07149	1.2
122.10507	2.8
123.08077	4.1
129.07011	1.4
131.04918	1.1
131.08559	7.5
133.07597	1.3
134.07372	1.3
138.65816	0.9
149.01143	1.9
149.02347	38.4
149.05981	3.1
149.09622	100.0
149.13251	5.2
150.02666	2.4
150.05482	1.3
150.10031	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02392	1.2
53.03943	7.2
55.01863	4.6
55.05504	4.2
56.96574	1.2
65.03607	2.0
65.03944	36.0
67.05499	3.1
69.03439	5.9
69.07062	2.0
77.03931	1.6
78.04700	2.0
79.05064	2.2
79.05495	32.7
80.05019	2.2
81.03415	1.4
81.07053	5.2
89.03966	1.6
91.05484	99.1
92.05815	4.6
93.03400	7.8
93.07046	46.2
94.07370	1.8
95.04979	15.0
98.03683	1.8
98.21520	2.7
103.05474	17.7
105.04513	1.5
105.07034	62.5
106.04150	2.1
106.07227	1.9
106.07806	4.6
107.04965	3.9
107.08597	11.9
108.04498	2.2
109.06555	8.4
110.08456	2.1
111.04444	7.5
115.05452	13.8
116.06248	38.3
117.06548	1.8
119.04942	1.5
119.08587	10.0
121.02003	1.9
121.02866	37.7
121.03969	7.7
121.06503	30.3
121.10144	49.7
122.03174	2.6
122.07169	1.7
122.10506	2.4
123.08100	8.7
128.06252	2.1
129.07005	12.7
131.04965	2.3
131.08572	30.9
132.08929	2.5
133.06554	2.6
133.07626	4.0
134.07242	6.2
147.08104	4.2
149.02353	56.6
149.06024	5.9
149.09624	100.0
150.02679	4.6
150.03748	1.5
150.05478	2.1
150.10104	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	149.0961
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03938	7.0
55.01870	4.9
55.05505	2.7
65.03937	13.3
67.10580	2.0
68.26466	2.0
69.03420	7.6
69.34299	22.5
69.34695	5.2
79.05494	25.8
81.07038	2.6
89.03956	2.2
89.51072	2.0
90.84369	2.1
91.05478	85.6
92.05843	2.7
93.07036	37.1
95.04958	9.8
103.05453	14.5
105.06300	3.1
105.07024	63.9
106.07827	5.1
107.04924	3.4
107.08623	4.0
109.06497	6.9
111.19026	1.9
115.05451	14.1
116.06237	36.7
118.12735	1.8
119.08599	10.1
119.20616	2.3
121.02868	10.5
121.06510	23.4
121.10140	45.4
122.10474	5.1
123.08035	10.1
128.06198	2.6
129.06995	11.8
131.08553	38.6
132.08919	2.8
134.07272	6.2
147.08006	5.9
148.96072	2.3
149.02327	11.9
149.09621	100.0
150.09998	7.5
155.66289	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03944	1.3
55.01893	1.1
55.05518	8.8
65.03940	9.1
67.05502	1.5
69.07053	2.4
69.95047	6.2
79.05507	5.9
84.04505	2.1
84.08154	1.7
91.05485	100.0
92.05022	1.6
92.05823	6.1
93.07037	2.5
95.04979	2.9
96.27490	1.0
98.21423	1.6
103.05476	4.8
105.07037	56.9
106.06656	1.1
106.07378	3.5
107.04929	2.0
107.08579	5.9
115.05508	2.9
116.06216	2.5
117.07021	12.3
119.04944	61.9
119.08585	87.0
120.04468	2.1
120.05290	2.9
120.08909	3.6
129.06998	2.4
130.02878	1.4
130.06549	2.5
130.07794	1.4
131.08580	2.1
132.05775	1.2
132.09346	4.5
145.10133	7.5
147.04445	25.6
147.05551	4.9
147.08037	8.1
147.11694	48.7
148.04881	2.0
148.07582	1.4
148.08669	1.8
148.12061	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	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.46695	0.4
59.03410	0.5
65.03938	10.6
69.45109	1.4
69.45532	3.2
79.05485	0.7
84.04491	1.6
87.48557	0.5
91.05478	100.0
92.05796	3.5
95.04958	0.7
98.20746	0.7
105.06994	4.0
107.08553	0.5
114.31287	0.6
117.06998	0.8
119.04939	91.1
119.08556	4.8
120.05241	4.2
132.05768	0.5
146.58650	0.5
147.04405	37.3
147.05423	1.5
147.11671	2.4
148.04758	1.9
148.07506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03930	1.0
55.01868	1.5
55.05267	1.2
55.05511	17.6
56.96553	1.1
64.92786	1.2
65.03933	5.2
67.05499	4.8
69.07058	3.7
69.43126	2.6
69.43553	4.3
79.05497	11.4
81.07056	3.3
91.05479	72.0
92.05001	1.2
92.05795	3.2
93.07033	4.2
95.04958	3.2
98.21471	1.2
103.05463	6.2
104.04968	0.9
104.06247	1.4
105.07028	88.3
106.07363	2.8
107.04956	12.4
107.08567	3.8
115.05417	1.3
117.06223	1.0
117.07024	15.5
119.04943	14.5
119.08579	100.0
120.04443	1.4
120.05241	0.9
120.08155	1.4
120.08925	5.3
123.96456	1.5
128.06236	1.8
129.06992	3.8
130.02948	0.9
130.06488	1.4
131.08527	1.6
132.05719	5.6
132.09340	2.9
142.98648	0.9
145.06532	1.1
145.10127	5.0
147.04401	9.6
147.05544	7.3
147.08052	29.8
147.09174	2.0
147.11681	37.5
148.03909	2.6
148.08493	1.7
148.12125	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03941	10.5
71.06393	1.0
82.48917	0.4
89.42598	0.5
91.05484	100.0
92.05818	3.9
95.04942	0.6
105.07027	1.7
119.04944	95.5
119.08589	1.4
120.05262	4.5
147.04416	36.2
147.08046	0.8
148.04825	2.5
148.07677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48072	0.4
57.22653	0.4
62.17014	0.3
65.03944	12.0
69.90567	0.6
69.90983	1.5
70.09516	0.3
79.21800	0.3
84.08154	0.5
91.05482	100.0
92.05814	4.3
95.04991	0.6
101.08566	0.4
104.04977	0.4
105.07018	0.6
109.92759	0.4
118.60494	0.4
119.04944	96.1
119.08585	1.5
120.05262	3.9
147.04414	33.1
147.05457	1.6
147.08063	0.7
147.11688	0.6
148.04771	1.5
148.08693	0.7
168.49026	0.4
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	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
58.02343	0.7
65.03948	1.6
70.14770	2.8
72.04496	0.7
72.08163	2.7
82.06576	0.9
84.04494	1.0
84.08140	0.9
86.06060	1.1
91.05482	32.8
92.05787	0.8
95.04975	1.1
95.42041	0.7
98.20887	0.9
103.05484	1.2
117.05785	5.7
118.06545	100.0
119.04953	10.8
119.06821	3.3
128.04019	1.5
128.04967	23.7
129.05290	1.3
146.06012	75.5
147.04468	3.8
147.06369	3.3
161.69534	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1652
Annotation	Spermidine
Peak:m/z	Relative Intensity
53.03928	0.6
55.01871	0.7
55.05512	6.1
55.08041	0.5
56.05029	1.6
56.96560	9.9
57.03432	2.7
58.06601	9.4
59.04988	1.6
60.04520	1.7
65.03941	3.2
69.03428	2.0
69.94061	2.1
69.94472	1.0
70.06581	1.5
71.04991	1.4
72.04501	0.5
72.08151	100.0
73.02913	1.0
73.06553	2.0
73.08498	1.6
75.09251	2.7
76.04408	0.5
81.03421	1.3
82.06582	2.2
83.04977	2.0
84.01533	0.5
84.04494	4.9
84.07627	1.2
84.08136	21.4
84.96078	0.5
85.02916	1.9
86.06065	2.7
87.04474	2.6
88.07607	0.9
91.05478	37.5
95.04968	1.6
96.01486	0.5
97.02875	1.5
97.96808	0.8
98.21443	0.7
98.97590	4.6
100.02239	0.9
100.07626	2.3
101.06017	2.5
102.05550	0.6
103.05450	1.5
104.07117	0.7
105.07030	1.0
110.97626	0.7
112.11239	22.2
113.11544	0.7
116.98598	3.0
117.05808	1.1
117.07050	0.6
118.06547	6.0
119.04938	32.5
119.08585	0.8
123.96505	0.8
128.04962	19.3
128.07051	0.6
128.98628	0.5
129.04477	0.9
129.05338	1.0
129.06592	0.7
129.10205	0.8
129.13870	3.8
130.05017	1.1
130.08624	1.1
134.99652	2.3
146.06004	38.3
146.07996	1.1
146.11760	1.4
146.16502	1.0
146.99672	0.7
147.03279	1.1
147.04411	14.7
147.05449	1.5
147.06389	2.6
147.11661	0.5
149.01138	0.7
158.99672	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.4
55.05502	1.3
56.05029	0.4
56.72427	0.4
59.51915	0.4
60.47985	0.4
63.02344	0.4
63.24648	0.3
65.03941	10.1
67.05490	0.6
69.07060	0.4
70.19760	0.4
71.04996	0.7
71.59310	0.5
77.03923	0.6
79.05489	1.8
84.04500	1.9
84.08136	0.6
87.05569	0.4
90.97700	0.5
91.05479	100.0
92.04949	0.4
92.05811	4.5
93.07072	0.8
94.44089	0.4
95.04948	1.3
103.05479	0.8
103.74835	0.4
105.07027	9.8
106.07362	0.5
107.04947	0.7
107.06072	0.5
107.08601	0.8
108.06835	0.4
115.05419	0.5
117.07005	3.6
119.04942	79.7
119.08582	15.3
119.09460	0.7
120.04462	0.8
120.05254	4.6
120.08932	0.5
129.07001	0.8
130.06503	0.8
132.09369	0.5
145.10156	0.8
147.04420	33.3
147.05519	3.2
147.08067	3.6
147.09129	0.5
147.11679	6.4
148.03790	0.7
148.04916	1.9
148.07581	0.5
148.08684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.05506	1.0
56.05037	2.1
56.96565	4.7
57.03439	1.3
57.05384	0.2
58.06601	14.9
59.07373	3.0
60.05651	0.3
60.08176	0.6
61.02932	0.6
67.05511	0.4
68.05033	0.5
69.03453	1.4
69.07076	0.5
70.06207	0.5
70.06593	9.3
70.66585	0.7
70.66921	0.3
70.98126	0.4
71.04977	0.7
71.95256	0.3
72.08160	1.0
74.06085	2.6
81.03439	0.3
82.06608	0.3
84.01556	0.3
84.04520	0.8
84.08146	21.5
85.02901	2.7
85.08481	0.5
86.01306	0.3
86.06082	0.5
89.00764	0.4
89.03940	0.8
92.01327	0.4
96.08134	0.5
97.02872	0.6
97.07678	0.3
98.06071	2.6
98.09695	100.0
98.97594	1.5
99.04450	1.1
99.05583	1.2
99.09429	0.5
99.10010	3.1
100.07588	0.3
102.05536	1.6
102.96864	0.4
108.87975	0.3
111.00240	0.4
113.05473	0.4
114.09157	0.7
114.12889	0.3
116.08197	0.3
116.98598	1.4
117.03389	0.4
120.02026	0.3
120.97899	0.4
121.01711	0.4
121.61526	4.2
121.96545	0.4
122.11633	0.3
126.09182	0.3
128.07146	0.4
134.99646	0.8
138.98956	0.5
139.01793	0.4
144.03981	0.8
144.05984	1.1
144.10201	77.9
144.61769	2.4
145.10535	2.5
160.97614	0.8
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	D-proline betaine
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	2.2
55.05498	1.4
56.05029	2.6
56.96289	0.7
56.96566	13.0
57.03436	5.7
58.06600	23.1
59.07376	3.4
60.04520	1.3
60.05635	0.6
60.08166	0.9
61.02924	2.8
68.05029	0.8
68.99802	0.6
69.03423	6.6
70.06590	5.7
70.84943	1.2
70.98118	0.8
71.04996	2.4
71.95252	0.5
72.08143	1.5
73.02913	0.9
73.92964	0.4
74.02438	0.5
74.06089	2.8
74.97612	0.5
75.01031	0.7
77.00793	0.7
81.03403	1.3
81.30118	0.5
82.06545	0.5
83.01340	0.6
84.01604	0.9
84.04494	2.3
84.08143	30.3
84.96046	0.9
85.02904	14.5
85.08483	0.6
86.01299	0.6
86.06057	0.6
86.09709	0.5
87.00850	0.5
87.04398	0.5
88.07637	0.5
88.99139	0.8
89.03917	1.0
92.01289	0.9
93.02090	0.4
95.01321	0.6
97.00800	0.7
97.02898	3.4
97.07632	0.9
98.01295	0.8
98.06059	4.3
98.07226	0.9
98.07985	3.5
98.09692	45.3
98.97562	2.9
99.04456	5.1
99.05561	1.4
99.10001	1.3
101.77680	0.4
102.05542	3.4
104.01286	0.7
106.00970	0.4
107.00161	0.5
111.00267	0.6
116.98590	2.5
117.03371	0.7
118.03514	0.5
119.01940	0.7
120.02114	0.4
121.00768	0.7
121.61522	5.3
124.95520	0.5
126.02679	0.6
126.05563	0.6
127.03917	1.8
127.05122	0.4
134.99631	2.5
139.01826	1.9
142.96527	1.2
144.03780	1.4
144.06552	1.8
144.10196	100.0
144.61780	2.4
145.04985	0.6
145.10533	3.5
146.99635	0.7
160.97601	2.3
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	1-Aminocyclohexanecarboxylic acid
Peak:m/z	Relative Intensity
52.94991	0.3
55.05502	1.6
56.05043	2.2
56.96563	2.1
57.03427	0.5
58.06599	16.3
59.07380	2.1
60.05653	0.4
60.08150	0.7
61.02939	0.5
69.03409	0.6
70.06591	8.0
70.59180	0.8
70.59554	0.8
72.04508	0.5
72.08148	1.4
73.50702	0.4
74.06072	2.8
81.07044	0.6
83.08617	0.7
84.04517	1.2
84.05657	0.5
84.08143	32.2
85.02889	1.6
85.06534	0.5
85.08473	1.0
86.64000	0.4
96.08148	0.4
96.88676	0.4
98.06066	0.9
98.07980	1.6
98.09692	99.2
98.97591	0.9
99.04454	1.1
99.05567	0.9
99.10017	2.8
102.05534	2.4
120.02070	0.5
121.61532	3.1
126.09150	0.6
144.10196	100.0
144.61746	1.0
145.10538	3.5
145.11575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04618	0.4
53.03941	0.7
54.03463	0.6
55.01876	4.9
55.05511	2.8
56.04788	0.5
56.05035	6.3
56.96335	0.4
56.96566	5.1
57.03428	1.7
58.02967	0.8
58.06596	2.8
59.05011	0.5
59.06125	3.0
60.04525	3.5
60.05633	2.7
60.95848	1.2
67.05495	1.1
68.05014	1.6
68.99804	0.6
69.03081	0.6
69.03427	9.0
69.05331	0.5
69.07047	1.3
70.06593	5.1
71.01369	0.9
71.02465	0.5
71.04996	1.1
71.16545	0.7
72.02135	0.6
72.04504	1.9
72.08151	1.8
73.02917	0.9
73.04041	3.3
74.06078	1.4
75.05600	0.8
77.00887	0.4
79.05497	0.9
80.05001	2.3
81.04528	1.2
81.07037	0.7
82.00576	0.5
82.06579	1.1
83.01339	3.3
83.02470	1.4
83.04961	1.6
83.06100	5.9
84.04511	4.7
84.06411	0.7
84.08145	3.6
85.02904	4.4
85.04823	0.5
85.07661	0.9
86.03532	0.9
86.06066	5.1
87.00822	0.4
87.04456	0.8
87.06721	23.1
87.09238	0.7
88.07664	0.6
95.06088	1.8
96.06889	0.8
96.08131	0.8
97.00809	1.5
97.02305	0.4
97.02888	10.4
97.03968	0.6
97.06525	1.5
97.07647	7.8
98.03550	0.9
98.06046	4.9
98.07958	0.5
98.09096	0.9
98.09695	10.8
99.05595	1.1
100.03977	1.1
100.05092	0.7
100.07603	1.1
100.08735	0.6
101.00874	1.2
101.03507	1.8
101.07148	2.3
102.05515	2.3
102.96872	1.0
107.06089	0.7
108.01509	0.6
108.06904	0.8
109.07629	1.7
111.00820	1.2
113.02341	0.8
113.07088	0.5
113.10766	0.7
115.03917	0.6
116.04574	0.5
116.07085	0.6
116.98624	1.0
118.03496	0.6
119.01925	13.6
120.02021	1.5
120.97929	1.8
121.00815	1.1
121.01659	0.5
121.44229	0.4
122.51642	0.8
125.02355	11.0
125.04591	2.0
125.06261	0.4
125.07121	3.2
125.10793	0.5
126.02980	3.0
126.05507	1.7
126.09129	1.1
127.08687	0.7
128.01071	2.8
128.06261	0.9
134.99637	1.2
136.04495	0.5
137.02954	7.0
138.03140	0.8
138.98941	3.6
139.01822	4.8
142.03598	0.5
143.03400	54.5
143.05643	100.0
143.10081	1.7
143.11813	1.7
144.03822	1.7
144.05832	0.5
144.06636	1.0
144.08058	1.2
144.10197	4.6
157.00026	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	9.6
60.95858	35.2
65.53735	3.5
69.62970	23.6
70.06607	4.0
75.94504	3.8
78.72051	3.1
101.00883	4.4
102.00961	10.0
102.96871	63.8
103.00638	7.7
119.01933	24.6
120.02031	64.2
120.02911	5.4
120.97915	71.6
121.01674	100.0
134.99771	5.6
137.02937	16.0
138.03064	38.7
138.04248	8.7
138.49849	11.1
138.98949	64.1
139.02686	53.4
142.03481	5.3
144.03203	21.7
156.99985	12.6
162.04333	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22846	0.7
52.02679	0.7
56.68067	0.6
56.96565	47.8
58.34470	0.6
70.08315	3.3
70.08705	1.6
71.95264	8.0
72.01013	0.6
98.97583	100.0
99.97919	1.1
116.98617	84.0
129.03940	0.7
134.99654	51.8
140.00183	1.4
148.32364	0.7
153.00699	7.8
158.01295	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16660	1.4
53.03930	2.8
54.03473	8.9
55.05510	32.2
55.92446	1.3
56.03769	3.5
56.04791	1.8
56.05037	32.5
56.96563	44.1
57.04545	3.7
57.93554	1.7
58.02947	2.4
58.06602	3.3
59.06114	6.0
63.98215	1.1
65.03914	1.4
67.02982	2.2
67.05502	21.4
68.05025	6.5
69.07072	6.6
69.63937	10.5
70.06586	5.7
70.29411	1.2
71.06128	8.2
71.95268	7.1
72.04501	2.8
72.08115	1.7
79.05489	3.2
80.05009	1.4
81.03437	2.4
81.04536	7.5
81.07056	33.7
82.02937	4.5
82.06583	2.6
83.06105	12.4
84.04481	5.2
84.05640	1.3
84.08141	6.4
94.06599	2.7
95.04995	3.7
95.06072	11.5
95.08574	5.0
96.04514	2.9
96.05627	11.6
97.02892	3.9
97.06430	3.8
97.07663	3.8
97.10173	2.7
98.07188	20.5
98.07809	1.9
98.08100	1.3
98.97583	78.1
99.05591	13.6
99.07497	1.9
99.64869	1.6
111.09182	2.0
112.07621	1.5
113.02381	2.1
113.04662	2.2
113.07133	4.6
116.97236	4.6
116.98616	100.0
117.98965	2.8
122.07164	9.7
123.05550	23.3
123.09143	2.8
123.11723	1.7
125.02331	6.7
134.99657	92.8
136.00005	2.1
138.05521	1.5
139.90675	1.3
140.00165	1.6
140.03445	1.5
140.04591	1.5
140.07121	2.3
140.08173	27.4
140.11861	2.4
140.14337	41.2
141.01808	3.5
141.05536	2.5
141.06583	6.9
141.11259	1.7
141.14706	2.4
153.00713	22.0
158.01271	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25941	2.3
54.53497	1.9
56.89353	2.1
67.63580	2.4
71.40687	4.3
72.08144	2.7
78.98067	2.4
81.32800	2.1
81.64348	2.4
82.99865	2.4
86.74317	2.7
101.00893	15.6
118.03505	8.7
119.01924	100.0
120.02008	3.4
130.73761	2.3
136.04556	10.1
137.02959	49.2
142.03481	22.7
160.04570	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	143.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29967	0.7
56.05040	1.0
56.96566	8.6
57.03432	1.6
57.52311	0.7
60.05634	2.1
61.02926	1.0
61.22297	0.7
62.33504	0.7
63.22549	0.7
70.06588	1.8
70.67020	2.6
73.04025	2.9
83.02451	1.0
84.08147	8.9
86.03553	1.7
87.06169	1.4
87.06709	22.9
98.03539	1.1
98.09689	22.0
98.97582	2.8
99.34988	0.8
101.03519	1.8
116.98630	1.8
119.01921	3.2
125.04580	1.4
126.02968	2.2
126.90450	0.7
134.99608	1.2
137.02934	1.5
142.96623	1.5
143.05638	100.0
143.11684	0.9
144.04884	0.8
144.06009	1.8
144.10208	4.9
145.62344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.23349	0.2
53.03934	0.7
54.98912	0.2
56.96563	0.4
57.34476	0.2
65.03926	1.1
67.05500	1.1
69.79516	0.6
69.79921	0.8
74.95031	0.2
77.67822	0.2
78.03447	0.7
79.04195	0.4
92.05006	4.3
93.05788	1.0
94.06566	22.1
95.04956	0.2
95.06879	0.3
96.04488	3.5
110.06042	18.7
111.06363	0.4
138.05499	100.0
139.05843	3.7
139.15924	0.2
154.04970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Salicylate
Peak:m/z	Relative Intensity
53.03941	0.3
54.03464	0.7
55.01866	0.8
55.05510	0.9
56.03767	0.3
56.04790	0.2
56.05038	2.9
56.96564	8.2
57.04559	0.4
57.93563	0.2
58.06601	0.5
59.06110	0.8
62.63705	0.2
65.03940	9.5
66.04278	0.3
67.02991	0.4
67.05518	1.3
68.05029	0.7
68.99789	0.7
69.03431	1.2
69.04533	0.2
69.07062	0.8
70.06583	0.8
70.99508	0.4
70.99851	0.4
71.01346	0.2
71.06102	0.5
71.95257	1.0
72.04514	0.3
79.05478	0.6
80.05017	0.4
81.04550	1.1
81.07037	0.3
82.02957	0.4
83.04987	1.3
83.06107	1.5
84.04494	0.7
84.05626	0.2
84.08147	0.2
85.07687	0.2
91.05485	0.6
93.03392	3.5
93.07040	0.7
94.06577	0.4
95.04965	2.1
95.06077	1.3
95.08593	0.4
96.04508	0.3
96.05629	1.5
96.08134	0.2
97.02883	0.9
97.06474	1.1
97.07664	0.6
98.03663	0.7
98.06087	0.4
98.07175	2.6
98.97585	12.3
98.98438	0.7
99.05579	0.9
99.07931	0.2
100.06346	0.3
111.04446	7.8
111.05592	0.4
111.08055	0.3
111.09251	0.2
112.07621	1.0
112.08713	0.9
113.07116	0.5
116.98621	17.0
121.02868	100.0
122.03191	4.2
122.06036	0.2
122.07154	1.5
123.05553	1.7
123.09182	0.2
125.02393	0.5
128.03148	0.2
134.03004	0.3
134.99658	17.4
139.03908	7.8
139.04849	0.2
139.05818	0.4
139.07530	0.6
139.08675	0.5
139.09792	2.4
139.10875	0.2
139.11249	0.2
139.12204	0.3
139.38428	0.2
140.00159	0.4
140.03383	0.4
140.04379	0.3
140.07069	0.6
140.08148	3.2
141.06598	0.3
153.00713	4.2
158.01265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03942	2.6
54.03472	0.7
55.01623	0.6
55.01871	7.3
55.05519	3.8
56.05023	1.6
56.96566	6.8
59.04974	0.6
65.03611	0.8
65.03942	15.7
67.01585	0.5
67.01874	4.9
67.05503	6.3
68.99790	12.4
69.03426	3.0
69.07030	0.5
71.01374	2.3
71.11869	1.0
71.95245	0.8
81.04543	0.8
83.04984	8.5
83.06090	1.2
91.05474	0.5
93.03407	10.7
93.04404	0.4
93.07050	0.9
95.04961	2.0
95.06091	0.6
96.05607	1.4
97.02910	2.8
97.06433	0.9
98.07192	2.8
98.97584	11.6
98.98338	0.6
99.00836	0.7
99.05631	0.6
105.11501	0.5
111.04446	31.5
112.04764	0.9
115.03949	0.7
116.98615	12.6
121.02873	2.0
121.03946	0.5
121.06563	0.5
121.10202	0.5
122.07148	1.5
123.05549	1.5
134.99664	11.6
139.03905	100.0
139.09798	1.6
139.11290	0.5
140.03458	0.5
140.04272	4.6
140.08171	1.9
153.00728	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	(R)-(-)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03951	3.2
55.01869	1.4
55.05518	5.8
56.96564	3.9
57.07077	10.9
65.03940	2.6
65.48276	0.6
66.04730	5.9
66.70375	0.6
67.05509	31.5
68.05830	0.9
69.03414	0.7
69.07081	7.4
70.26422	1.3
70.26817	1.8
72.04525	0.8
79.05070	1.1
79.05499	15.0
81.03429	2.4
81.07059	71.1
82.06567	0.8
82.07391	3.2
84.94630	0.6
91.05489	9.4
92.05030	0.8
93.07055	9.5
94.04188	36.7
94.06571	0.9
95.04470	1.0
95.05002	5.8
95.08610	100.0
96.04498	1.1
96.08943	4.3
97.06403	1.2
98.04806	0.8
103.05441	0.8
107.04977	4.0
107.08617	1.3
108.09353	0.7
109.06516	5.2
109.10165	11.8
110.06027	3.0
110.07153	2.5
110.10474	0.9
111.05565	0.8
119.04938	0.9
119.08569	2.3
120.04475	0.7
121.06476	1.4
122.03654	45.1
122.07294	7.1
123.03963	2.3
123.06773	1.1
137.02438	5.3
137.05972	68.6
137.09625	9.8
137.13260	10.3
138.05467	7.4
138.06412	4.5
138.09129	1.9
138.13556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02384	1.2
53.03954	3.3
55.01876	1.3
55.05506	2.5
56.05032	0.6
59.10087	0.5
65.03944	3.1
66.04723	5.3
67.05505	31.6
68.05842	1.1
69.03431	2.0
69.07069	2.1
70.53133	0.5
70.73013	1.3
70.73370	0.6
72.04523	0.6
76.70119	0.6
77.03905	1.1
77.99940	0.5
79.05496	8.6
81.03416	1.7
81.07060	15.3
82.06599	0.9
82.07409	0.8
83.04961	0.5
91.05482	18.8
92.05833	1.0
93.07040	5.4
94.04188	43.9
94.06564	1.5
94.07860	1.1
95.04462	1.1
95.04982	7.6
95.08608	11.5
96.04529	0.8
97.06392	1.3
103.05460	2.4
104.06261	1.2
105.04518	0.7
107.04957	24.6
107.08605	2.0
108.05256	0.6
109.06514	5.9
109.10156	35.8
110.06036	1.9
110.07213	1.2
110.10500	1.8
117.07009	2.5
119.04938	0.6
119.08585	15.8
120.08923	1.1
121.06506	9.2
122.03654	53.0
122.07285	100.0
123.04005	2.0
123.07611	4.4
129.96101	0.5
135.08083	3.7
137.02467	3.1
137.05974	71.4
137.09615	81.8
138.01784	1.1
138.05476	6.4
138.06390	3.8
138.09973	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02375	0.8
53.03934	2.5
55.01870	1.2
55.05508	2.8
63.39590	0.5
65.03951	1.9
66.04712	3.0
67.05504	31.0
68.05806	0.7
69.03428	1.9
69.07064	1.6
69.74740	0.5
77.03912	1.0
79.05495	7.1
81.03426	1.9
81.07060	14.0
91.05482	16.1
92.05061	0.5
92.05780	0.6
93.07043	5.6
94.04185	24.3
94.06535	0.7
94.07832	1.5
95.04461	0.8
95.04975	5.4
95.08607	10.1
96.04496	1.0
97.06400	1.1
103.05478	2.7
104.06260	1.2
105.04487	1.3
107.04950	26.7
107.08556	1.2
108.05288	0.9
109.06533	3.7
109.10152	32.9
110.06043	1.7
110.07156	1.1
110.10487	1.5
117.07011	1.9
119.08574	16.4
120.08934	1.0
121.06511	9.5
122.03652	32.1
122.07285	100.0
123.03971	1.5
123.07610	4.4
132.55186	0.6
135.08052	4.1
137.02466	2.9
137.05975	45.7
137.09615	87.8
138.01793	0.5
138.05424	2.9
138.06375	2.0
138.09042	0.7
138.09972	4.2
141.28352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02388	0.4
53.03947	2.0
54.03489	0.3
55.01872	1.6
55.05515	2.7
56.05037	0.4
56.96582	1.2
62.06646	0.3
63.44986	0.3
65.03938	2.2
66.04720	3.3
67.05505	31.3
68.05043	0.6
68.99777	0.3
69.03432	2.3
69.04559	0.6
69.07072	0.9
69.47949	0.3
70.06035	1.5
70.06594	0.3
73.08125	0.3
77.03950	0.9
78.04715	0.4
79.05495	7.8
80.05872	0.4
81.03429	1.6
81.04552	1.3
81.07057	13.1
82.06600	0.6
82.07362	0.5
83.06113	0.5
89.03865	0.3
91.05482	17.7
92.04979	0.3
92.05798	0.6
93.07044	4.5
94.04187	29.6
94.06577	0.9
94.07836	1.2
95.04478	0.6
95.04984	6.4
95.06068	0.5
95.08609	9.5
96.04486	0.6
96.05625	0.5
97.06422	2.7
97.07675	0.6
98.04838	0.6
103.05467	1.9
104.06240	1.2
105.03436	0.8
105.04511	0.6
105.07076	0.4
107.04956	22.5
107.08562	1.7
108.05280	0.5
109.06526	4.4
109.10157	35.3
110.06046	1.4
110.07182	2.4
110.10504	1.0
111.05585	0.6
111.88150	0.3
115.05450	0.7
115.68810	0.3
117.07014	2.0
119.02414	0.4
119.04944	0.5
119.06095	0.4
119.08586	17.6
119.34286	0.3
120.08922	0.7
121.06509	9.3
122.03656	41.7
122.07286	100.0
122.13705	0.3
123.03928	2.2
123.06801	0.6
123.07623	3.8
124.32572	0.3
135.04410	0.6
135.08064	4.3
137.02498	2.2
137.05980	63.6
137.09615	88.4
138.01826	0.4
138.05481	5.7
138.06401	2.6
138.09097	0.6
138.09993	3.9
139.07552	0.5
149.07108	0.3
151.98610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.01868	1.1
55.05507	3.0
65.03936	1.4
66.04716	1.0
67.05505	30.3
68.05829	0.6
69.03422	1.4
69.07066	1.3
69.73285	1.5
69.73699	1.6
77.03922	0.6
79.05491	5.5
81.03410	0.9
81.07060	11.3
83.06105	0.6
91.05482	14.8
92.05833	0.8
93.07034	3.8
94.04183	10.4
94.06564	1.5
94.07822	1.4
95.04968	5.2
95.08607	7.4
96.04465	0.6
97.06394	2.1
103.05467	1.5
104.06260	1.3
105.04512	1.0
107.04957	23.7
107.08605	1.9
108.05265	0.7
109.06518	4.9
109.10157	35.9
110.06047	1.8
110.07164	1.0
110.10497	1.4
117.07023	1.8
117.61009	0.4
119.02483	0.4
119.08586	15.3
121.06513	9.0
122.03668	13.2
122.07287	100.0
123.06846	0.6
123.07629	3.3
125.27108	0.5
135.08063	4.3
137.02419	1.0
137.04875	0.9
137.05977	18.0
137.09618	87.9
138.05492	7.8
138.06444	0.8
138.09969	3.8
139.07529	0.7
145.38245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33268	0.9
53.03949	5.5
55.01868	4.8
55.05504	8.9
56.96555	1.0
57.03424	1.6
57.07056	3.5
65.03938	6.3
66.04720	6.6
66.05006	1.0
67.05502	81.3
68.05830	1.6
69.03421	6.0
69.04545	1.6
69.07059	5.8
70.73940	2.6
77.03915	1.7
78.04706	0.8
79.05486	19.6
81.03416	8.0
81.04527	3.0
81.07054	47.4
83.04954	3.2
91.05475	39.9
92.05017	1.2
92.05785	2.7
93.07045	11.8
94.04185	43.5
94.06551	4.8
94.07825	2.1
95.04971	22.8
95.08604	29.6
95.41689	0.9
96.04484	2.1
96.05704	1.9
97.06413	4.4
97.07640	1.3
103.05442	2.1
104.06248	1.7
105.07005	1.4
107.04952	27.6
107.08604	7.1
108.05720	3.1
109.06513	52.6
109.10152	53.5
110.06030	2.9
110.07091	3.6
110.10499	2.6
117.07004	3.5
119.04942	1.1
119.06051	2.1
119.07785	1.6
119.08581	19.7
119.09442	1.4
119.50941	1.0
120.05589	0.9
120.45486	0.8
121.06489	8.4
122.03643	55.3
122.07280	100.0
123.03983	2.0
123.07592	3.2
134.27513	0.8
135.04347	1.0
135.08044	4.3
137.02359	2.2
137.05965	83.5
137.09607	99.0
137.13220	1.6
138.01711	1.0
138.05473	17.0
138.06400	4.1
138.09035	1.1
138.10036	4.6
141.66048	1.0
156.02998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03937	4.0
55.01857	2.7
55.05510	9.7
60.31256	0.8
65.03931	3.7
66.04686	1.0
67.05501	67.1
68.05836	2.3
69.03409	4.3
69.07053	3.7
69.33230	10.4
69.33576	2.1
74.64156	1.0
79.05489	11.0
81.03413	5.3
81.07056	28.4
83.04957	3.8
84.00593	0.9
91.05476	32.4
93.07036	8.9
94.04177	9.0
94.07846	1.6
95.04971	16.9
95.08596	11.5
97.06432	1.5
103.05489	1.5
104.06261	1.2
105.04504	1.8
105.07066	1.2
107.04949	24.8
107.08587	6.2
108.05743	3.5
109.06509	57.0
109.10148	51.6
109.10926	1.4
109.75909	1.1
110.07036	1.0
110.10463	1.3
117.07023	2.9
119.06023	1.7
119.08571	17.1
121.06509	7.8
122.03645	8.8
122.07280	96.5
123.07629	3.0
126.30067	1.0
135.08026	4.2
137.02403	0.9
137.05972	13.1
137.09607	100.0
138.05492	4.1
138.09967	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.67466	1.5
53.03935	5.0
53.64988	1.5
54.03463	2.1
55.01866	6.3
55.05508	9.7
65.03941	6.0
66.04709	2.4
67.05508	75.6
68.05040	2.0
68.05860	2.0
69.03419	6.9
69.03773	1.5
69.04548	2.6
69.07063	4.7
70.02956	1.8
71.37037	2.7
79.05483	16.2
81.03407	5.3
81.04540	5.7
81.07058	30.3
83.04980	3.0
83.06105	1.5
91.05486	43.8
92.05804	1.9
93.07051	11.9
94.04182	19.0
94.06572	2.8
94.07835	2.8
95.04961	21.4
95.06085	1.9
95.08601	15.6
96.04504	2.3
96.05640	2.7
97.06396	11.3
97.07643	2.0
103.05491	2.0
104.06238	2.3
105.20078	1.3
107.04955	29.0
107.08597	6.8
108.05788	3.2
109.06521	56.6
109.10158	53.8
110.06057	3.8
110.07219	9.7
110.07843	2.2
110.10542	2.2
111.05558	2.5
117.07024	4.8
119.04913	2.1
119.06013	1.9
119.08596	18.4
121.06514	8.4
122.03647	19.6
122.07288	98.5
123.07638	5.4
135.08087	3.7
137.02368	3.5
137.05943	31.9
137.08260	5.2
137.09622	100.0
138.05501	21.4
138.06558	5.0
138.09126	2.0
138.10074	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.12354	0.3
51.02378	0.7
53.03942	1.1
55.01863	0.7
55.47793	0.3
65.03941	2.1
66.04720	8.1
67.05505	0.6
69.03447	0.4
69.62273	2.2
77.03931	0.9
79.05490	5.0
81.03442	0.3
81.07066	2.1
91.05486	3.6
94.04186	55.3
95.04446	1.4
95.05051	1.6
105.03395	0.4
107.04975	2.2
109.06509	0.8
122.03647	73.1
123.03979	2.5
127.33387	0.3
135.04434	1.0
137.05974	100.0
138.05383	0.6
138.06331	5.2
141.25969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02380	1.0
53.03946	2.2
54.03488	0.5
55.01878	1.1
55.05511	0.7
57.07082	0.6
57.82912	0.3
61.92957	0.4
65.03942	2.1
66.04723	7.6
67.05502	8.9
69.03439	0.7
69.04552	0.7
69.07080	0.5
70.06629	0.4
70.49654	1.0
70.50057	0.6
72.04520	0.6
72.18557	0.3
77.03909	0.9
79.05493	7.3
79.29514	0.3
81.03416	1.8
81.04551	1.5
81.07056	8.7
82.06589	0.5
83.06132	0.4
91.05479	6.9
92.05772	0.5
93.07049	2.1
94.04186	47.1
94.06563	1.5
95.04497	1.5
95.05028	3.0
95.06084	0.6
95.08610	5.3
96.04525	0.6
96.05636	1.0
97.06400	2.7
97.07685	0.5
98.04796	0.8
105.03391	0.7
105.04553	0.7
107.04958	4.8
107.08575	0.7
109.06499	3.1
109.10158	4.5
110.06052	2.8
110.07171	2.9
111.05570	0.7
114.75819	0.4
117.07002	0.4
119.04935	0.4
119.08569	2.7
120.36208	0.4
121.06497	1.2
121.07583	0.3
122.03649	69.9
122.07283	13.5
123.03957	2.7
123.07613	0.9
135.04424	0.8
137.02516	2.2
137.05974	100.0
137.09605	13.8
137.13191	0.5
138.01749	0.6
138.05478	10.6
138.06384	4.1
138.09084	0.7
138.10091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03953	4.7
55.01866	1.7
55.05508	7.3
57.07066	1.5
57.72127	1.2
65.03928	3.6
65.50745	1.1
67.05489	2.8
68.05022	1.4
69.07064	2.8
70.14748	2.2
70.15146	1.7
70.89039	0.8
71.65842	0.9
74.92078	0.9
79.05062	1.6
79.05495	22.0
81.07047	2.8
81.09257	0.9
91.05479	55.3
92.05801	1.8
93.07042	53.6
94.07388	1.3
95.04976	9.4
95.08596	1.4
103.05441	1.6
105.04482	2.7
105.07030	26.2
106.07826	1.2
107.04945	3.0
107.08594	100.0
108.08919	4.6
109.01094	1.8
109.06519	9.9
109.07629	1.5
115.05461	2.5
117.07006	4.3
119.03503	2.1
119.06062	3.8
119.08582	17.9
120.09360	3.9
133.10095	1.7
135.04449	1.8
135.08049	6.1
135.10683	2.1
135.11687	33.1
136.02179	11.8
136.06190	10.9
136.12032	2.1
137.04604	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
67.02982	0.8
70.95868	0.2
70.96176	0.3
82.04034	0.2
91.05495	0.9
92.02506	1.0
92.76064	0.2
94.04055	4.4
96.27325	0.1
109.05113	0.9
112.05090	0.6
119.03558	12.7
136.06192	100.0
137.04596	9.3
137.06618	1.4
144.85919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02383	0.5
53.03952	1.1
55.01868	0.8
64.88804	0.2
65.03937	2.1
66.04724	8.1
67.05146	0.2
67.05500	1.0
69.03430	0.4
69.86060	1.0
77.03932	1.0
79.05495	4.6
81.03433	0.5
81.07063	2.4
82.06569	0.2
91.05488	4.9
92.05822	0.2
93.03439	0.2
93.07055	0.3
94.04186	53.4
95.04426	1.3
95.05020	2.2
95.08599	0.8
105.03418	0.7
105.04517	0.4
107.04961	2.2
109.06522	1.3
109.10169	0.4
110.06057	0.4
111.04480	0.4
119.04981	0.3
122.03647	73.2
123.03989	3.0
135.04446	0.9
137.05975	100.0
138.05481	0.4
138.06326	4.6
138.09137	0.3
141.97409	0.2
155.39217	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	4.5
55.01865	0.5
55.05509	9.2
57.07090	1.0
60.50285	0.4
65.03942	3.8
67.02985	0.6
67.05501	3.1
68.05024	1.6
69.07056	2.6
71.60269	0.7
77.03914	0.9
78.04690	0.7
79.05489	21.2
80.05007	0.8
80.05816	1.2
81.07056	2.6
87.05576	0.6
89.03897	0.8
91.05476	65.4
92.05770	2.4
92.06313	0.6
93.07037	45.5
94.04028	0.5
94.07384	1.6
94.07893	0.5
95.04966	11.9
95.06114	1.0
95.08611	1.6
96.06880	1.1
103.05480	2.0
104.06238	1.3
105.04527	2.0
105.07027	33.1
106.07874	1.1
107.04949	3.3
107.08588	100.0
108.08929	4.2
109.01083	0.5
109.06516	12.8
109.07667	1.4
110.06849	0.9
115.05458	2.0
117.07002	3.7
119.03534	0.9
119.06078	5.3
119.08571	19.8
120.09396	6.9
124.05201	0.8
133.10098	2.3
135.04430	1.3
135.05505	0.5
135.08047	6.5
135.11682	25.8
136.02155	5.3
136.06177	10.3
136.08681	1.5
136.12073	1.5
137.09576	1.1
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
51.52930	1.0
53.03933	4.5
55.05506	7.3
57.07067	1.3
65.03938	1.5
67.05512	2.2
69.07049	2.5
70.50074	1.9
70.50435	2.5
73.39120	1.0
75.43707	1.0
75.57637	0.9
79.05489	17.8
81.07059	3.1
91.05476	58.5
92.05800	2.4
93.07041	47.6
93.07632	2.3
94.07350	1.6
95.04951	9.9
105.04487	2.4
105.07026	24.4
105.08099	1.1
107.04958	1.7
107.08591	100.0
108.08926	4.1
109.06494	13.3
109.48985	1.1
115.05444	2.6
117.07017	4.1
119.06067	2.7
119.08572	20.2
120.09390	7.4
122.02745	1.0
133.10095	2.0
135.08069	3.4
135.10678	2.2
135.11693	33.3
136.02138	4.0
136.06163	3.9
137.09615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02362	1.3
53.03946	5.9
55.01858	2.6
55.05507	10.5
56.96566	0.9
65.03932	2.8
67.05508	43.7
68.05830	1.0
69.07082	8.6
69.21886	0.8
71.59940	1.4
79.05493	66.5
79.78329	0.8
81.03405	1.3
81.06583	1.6
81.07057	29.7
91.05482	33.3
93.07043	100.0
94.04027	1.3
94.07378	2.6
94.07887	1.6
95.04966	12.9
105.04506	2.2
105.07027	9.5
107.04945	4.0
107.08595	58.8
108.08144	1.3
108.08897	2.1
109.01105	3.1
109.06493	4.5
115.05445	2.7
117.07030	1.2
119.03560	2.1
119.08598	2.8
120.09320	1.2
133.10143	1.9
135.04424	4.7
135.05458	1.7
135.08063	10.6
135.11690	48.9
136.02165	38.0
136.05168	0.9
136.06192	27.8
136.07536	4.0
136.08438	0.8
136.11110	1.1
136.12061	2.5
137.04597	2.3
151.69629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.78525	0.6
53.03948	4.2
53.76103	0.5
55.01872	1.2
55.05507	9.0
65.03935	3.1
67.05503	3.9
68.05025	1.3
69.07065	4.7
69.90773	3.1
74.25008	0.6
77.03913	1.4
79.05490	22.7
81.07046	4.8
91.05476	46.0
92.05814	1.7
93.07040	57.4
94.07378	1.8
94.07892	0.7
95.04978	8.6
95.06066	0.9
95.08580	0.6
96.06866	1.4
103.05482	1.0
104.06268	1.0
105.04520	1.4
105.07026	21.1
107.04945	2.6
107.08588	100.0
108.08905	4.2
109.06518	9.4
109.07655	1.5
115.05458	1.6
117.07009	2.0
119.03548	1.1
119.06077	2.7
119.08569	9.7
120.09343	1.9
120.36054	0.5
133.10126	0.9
135.04387	1.6
135.08046	7.4
135.10677	1.1
135.11682	20.1
136.02167	5.5
136.03864	0.9
136.06172	9.7
136.07562	1.8
136.08661	2.2
136.12030	1.5
137.04547	0.6
137.09633	0.7
141.30856	0.6
146.62010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	6.1
55.01862	2.4
55.05256	1.3
55.05508	12.8
65.03925	3.1
67.05504	46.4
69.03396	1.5
69.07060	8.8
70.03025	5.2
79.05492	75.3
80.05006	2.0
80.05796	1.9
81.07054	32.3
87.80717	1.0
91.05481	33.6
93.07043	100.0
94.04076	1.4
94.07341	2.2
95.04967	14.7
105.04498	2.4
105.07021	9.0
107.04971	7.6
107.08594	55.4
107.55183	1.1
108.04519	1.2
108.08134	2.2
108.08879	1.7
109.01105	4.3
109.06519	5.2
115.05460	2.2
117.06990	1.5
119.03545	2.7
119.08566	2.1
129.54266	1.1
131.44214	1.1
133.10110	1.3
135.04453	5.9
135.05453	1.5
135.06607	2.3
135.08061	11.7
135.11693	48.2
136.02165	51.2
136.03905	2.8
136.05196	1.6
136.06177	40.7
136.07558	3.7
136.12077	1.9
137.04565	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	7.1
55.01870	1.6
55.05508	9.0
57.07065	2.3
65.03939	2.9
67.05487	4.4
68.05019	4.0
69.07066	2.2
70.00671	3.8
70.01096	3.5
74.76553	1.2
79.05060	1.9
79.05493	28.9
80.05006	1.3
81.07048	3.3
82.86180	1.2
89.03918	1.8
91.05479	66.6
92.05811	2.3
93.07043	55.1
94.06459	1.2
94.07371	1.5
95.04973	13.7
95.06054	2.0
95.08604	1.6
96.06886	3.2
97.42001	1.1
103.05453	2.0
104.06272	1.7
105.07030	32.2
107.04968	5.0
107.08591	100.0
108.05636	1.2
108.08926	4.5
109.01102	2.0
109.06528	10.8
109.07639	1.8
115.05460	4.2
117.03361	1.3
117.06999	5.5
119.03577	2.7
119.06049	3.9
119.08576	21.2
120.05652	1.3
120.09415	7.3
133.10115	1.7
135.04437	7.0
135.06593	1.4
135.08078	8.7
135.11685	36.5
136.02155	20.6
136.03864	1.4
136.05110	1.3
136.06183	29.6
136.07567	5.0
136.08672	3.3
136.12093	1.9
137.04646	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02370	0.7
52.43634	0.6
53.03949	4.5
55.01874	1.2
55.05504	0.9
56.96566	0.7
63.02369	5.8
65.03941	1.7
67.02980	0.6
67.05508	1.5
68.05022	2.9
70.39957	1.3
70.40365	1.0
75.05605	1.1
77.52003	0.6
79.05494	23.8
80.05020	2.1
80.17475	0.5
81.03403	0.6
81.04560	0.7
82.06581	0.8
87.05588	2.5
88.75442	0.7
89.03918	100.0
90.04263	3.8
91.05486	6.9
93.07046	3.7
94.06567	1.1
94.70878	0.6
95.04970	10.9
95.06107	2.1
96.06885	2.0
98.21513	0.7
98.72304	0.6
105.04515	1.8
105.07004	3.0
107.04959	19.1
107.08607	6.1
108.08085	0.9
109.06516	0.8
109.07634	3.4
114.69880	0.6
115.05473	1.3
117.03382	35.4
117.06975	0.9
118.03652	1.1
119.03548	2.0
119.06075	1.2
135.04417	68.2
135.06511	1.4
135.08055	6.0
135.11707	1.4
136.02173	11.6
136.03873	1.1
136.04887	2.0
136.06184	26.4
136.07567	1.8
136.08698	3.2
137.04584	1.7
139.39824	0.6
149.97232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03949	8.1
54.03478	1.1
55.01867	3.7
55.05515	12.5
56.15094	1.0
56.59253	0.8
57.38966	0.9
57.82011	1.0
65.03935	3.5
67.02995	1.9
67.05510	6.1
68.05020	9.6
69.07061	5.2
77.03921	1.9
79.05495	41.3
80.05025	1.9
81.03433	1.3
81.07059	5.4
89.03912	2.5
91.05482	62.6
92.05004	1.1
92.05792	2.1
92.06298	1.2
93.04515	2.2
93.07043	72.5
94.04057	4.3
94.06626	1.0
94.07353	2.1
95.04971	17.0
95.06078	4.3
96.06882	8.6
103.05444	1.9
104.06243	1.2
105.04499	2.6
105.07032	22.1
107.04961	11.2
107.06093	1.7
107.08595	100.0
108.04478	1.8
108.05566	1.6
108.08154	2.1
108.08929	3.6
109.01079	3.0
109.05126	1.0
109.06522	9.3
109.07632	9.7
115.05444	4.0
117.07017	5.4
119.03540	6.8
119.06069	4.6
119.06818	2.2
119.08584	10.6
120.09377	3.3
121.06445	1.1
134.07169	1.1
135.04446	15.9
135.05507	1.3
135.06648	2.8
135.08075	20.1
135.10016	2.9
135.11678	23.3
136.02171	36.2
136.03947	3.2
136.06186	82.4
136.07529	5.0
136.08519	11.5
136.12067	1.1
137.04617	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	135.044
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
51.02384	0.8
53.03943	4.4
54.03461	1.1
54.51230	0.8
55.01873	1.6
56.96564	1.2
58.02956	0.9
58.76206	0.8
59.06115	2.6
60.04517	3.6
63.02367	6.1
64.50005	0.7
65.03931	2.5
67.05492	1.2
68.05022	1.6
71.16726	1.8
75.05602	3.2
76.04002	1.2
79.05489	24.6
80.05000	2.1
80.05817	1.4
81.04584	1.0
81.07052	0.7
87.05594	8.8
89.03913	100.0
90.04262	2.4
91.05476	10.1
93.05801	1.1
93.07017	6.0
94.04052	1.7
94.06544	1.6
95.04962	12.3
95.06083	2.3
95.07359	1.1
96.06873	3.2
105.04515	2.2
105.07040	2.3
105.62543	0.8
107.04949	24.4
107.06042	1.0
107.08576	8.0
108.04509	1.0
108.05492	1.2
108.08117	1.5
109.01102	1.5
109.07632	4.9
115.05434	1.7
115.18697	0.8
116.88377	1.0
117.03370	36.7
117.07076	1.0
118.03723	1.0
118.06528	2.2
119.03526	5.0
119.08611	0.9
135.04417	67.1
135.06621	2.9
135.08046	5.2
135.09143	1.8
135.11696	2.2
136.02155	19.5
136.03897	1.8
136.05013	2.4
136.06177	47.9
136.07529	3.0
136.08704	3.8
136.11200	0.9
137.04578	3.4
145.04002	1.4
150.58391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	56.2
57.03435	9.0
60.04530	7.7
69.63692	16.1
69.64111	29.0
69.66753	6.4
79.05487	22.8
81.07055	5.7
84.08173	9.6
84.80396	5.9
87.05607	27.2
91.05502	21.4
93.07041	16.3
95.04947	11.4
98.21401	11.7
98.97588	14.6
100.02480	13.1
102.02178	6.5
105.07072	10.4
107.04980	11.3
107.08604	30.4
109.01162	6.7
113.00890	11.0
116.98627	11.0
118.03543	11.8
118.06052	7.1
119.01915	20.4
119.06072	5.9
121.01560	14.2
130.03505	19.7
131.01917	100.0
134.99667	30.3
135.04459	11.4
135.05560	6.9
135.06667	7.4
135.09239	7.0
135.11716	11.3
136.02188	56.2
136.05078	13.9
138.49886	22.8
149.02953	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	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01568	0.5
50.04553	0.5
50.81434	0.4
51.02385	0.9
53.03942	1.6
55.05516	3.9
56.79603	0.5
56.96572	0.7
65.03931	0.9
67.05502	1.1
69.84812	0.5
77.03937	1.6
79.05496	12.3
80.15648	0.4
91.05486	32.9
92.05812	1.4
93.07047	6.7
95.04969	3.7
98.89150	0.5
103.05467	6.7
105.07034	100.0
106.07348	3.9
107.08581	1.3
115.05457	8.4
116.06242	2.2
117.07024	9.6
118.07817	9.9
121.05161	0.5
129.06972	0.7
131.08574	12.1
133.02896	0.8
133.06532	3.6
133.10136	78.0
134.06036	1.1
134.07098	0.6
134.09676	0.6
134.10495	4.9
152.17468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04795	2.2
52.72865	2.3
53.03945	7.4
53.33816	2.4
54.03468	4.1
55.01869	7.4
55.05529	5.3
56.05048	3.3
56.96568	27.3
59.06112	10.1
60.04532	17.6
65.03939	6.1
65.98576	2.1
67.02983	2.6
67.05501	9.8
68.05038	11.2
69.07072	3.9
71.58569	3.2
72.06886	2.7
75.05611	17.7
76.04008	5.0
77.00918	4.8
79.05495	38.3
80.05021	7.5
81.03424	3.1
81.04541	7.8
81.07057	7.2
87.05594	41.7
87.79110	2.2
89.51575	3.8
91.05486	46.7
92.02624	2.5
93.05858	3.1
93.07050	33.2
94.06563	9.6
95.04995	15.1
95.06091	14.3
95.07362	5.2
96.06874	16.7
97.82973	2.2
98.97588	5.7
100.02467	12.6
103.02439	3.1
105.04538	2.8
105.07054	14.5
106.01057	3.0
107.04944	15.5
107.06084	5.1
107.08598	48.2
108.04470	2.7
108.05630	4.5
108.08127	4.9
108.08933	3.9
109.01115	7.4
109.06515	7.6
109.07660	22.3
110.52689	7.8
112.02449	2.4
115.05465	5.9
116.98655	12.9
117.07043	4.9
118.03514	11.5
118.06558	3.1
119.01943	3.4
119.06059	5.6
119.08599	10.2
119.53216	4.3
120.03338	2.3
120.06890	2.6
120.09315	2.3
120.51294	2.6
121.01587	8.9
121.89822	2.0
124.52443	3.2
128.97836	2.8
130.01738	4.3
130.03497	8.4
130.04480	2.1
131.01920	60.9
133.52917	3.2
134.01317	2.2
134.07104	3.4
134.99655	22.5
135.04488	22.0
135.05531	7.6
135.06589	13.2
135.08029	17.2
135.09196	8.7
135.11700	14.3
136.02168	100.0
136.03839	4.3
136.06209	8.7
136.07654	4.6
136.08705	19.9
137.98363	2.9
138.49916	14.5
148.02792	2.2
148.04602	5.6
149.03003	21.0
150.00679	3.3
153.00732	8.9
154.03581	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03942	1.7
55.05515	2.2
64.86275	0.4
65.03934	0.8
67.05513	1.2
69.80647	2.3
77.03902	0.4
77.26578	0.4
79.05490	8.3
79.05911	0.8
91.05480	23.8
92.05786	0.8
93.07041	5.8
95.04951	2.8
98.20771	0.5
103.05472	4.4
104.06312	0.5
105.03399	0.5
105.07029	63.4
106.07390	3.0
106.32993	0.4
107.08602	2.3
115.05458	8.5
116.06237	2.1
117.07011	11.3
118.07815	10.9
129.07010	0.8
131.07588	0.8
131.08565	10.6
133.06451	1.5
133.10127	100.0
134.10457	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02380	0.4
53.03961	2.0
55.05513	3.0
59.92452	0.2
65.03934	0.9
67.05499	1.0
69.28272	2.5
77.03939	0.7
78.04705	0.5
79.05497	9.1
91.05486	26.9
92.05815	0.9
92.06310	0.6
93.07049	6.9
94.07394	0.2
95.04979	3.1
96.05217	0.3
103.05479	4.8
105.03416	0.7
105.04527	0.8
105.07034	70.4
106.06644	0.5
106.07365	3.0
107.08602	1.7
115.05460	8.3
116.06341	1.3
117.07027	10.8
118.04163	1.3
118.07812	10.2
119.08102	0.3
123.54689	0.2
126.31739	0.3
129.07008	0.8
131.08582	8.7
132.08876	0.6
133.02866	0.7
133.06549	4.3
133.10135	100.0
134.03661	0.4
134.06012	0.3
134.07133	0.4
134.09549	0.5
134.10466	5.4
152.39859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26252	0.3
53.03949	1.5
55.01870	0.4
55.05516	2.4
56.22366	0.3
57.00729	0.3
65.03938	1.0
67.05498	1.0
69.45779	1.3
69.46210	1.3
75.18497	0.3
77.03923	1.1
78.04703	0.8
79.05492	11.6
80.05841	0.3
87.97133	0.3
89.03894	0.3
90.04722	0.3
91.05481	26.7
92.05813	0.8
92.06296	0.5
93.06473	0.6
93.07049	7.4
95.04975	3.8
102.04763	0.3
103.05463	6.0
105.03403	0.8
105.04552	0.7
105.07030	69.4
106.06569	0.8
106.07359	3.7
106.19617	0.3
107.08613	1.6
109.06568	0.4
115.05443	8.0
116.06311	1.7
117.07021	10.7
118.04147	1.1
118.07809	9.9
119.08117	0.4
124.23424	0.3
129.07019	0.8
131.08571	8.6
133.02863	0.6
133.06494	6.1
133.07591	2.6
133.10129	100.0
134.03618	0.4
134.05991	0.7
134.07089	0.5
134.10458	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	1.5
55.05505	2.3
59.34919	0.3
65.03941	0.5
67.05500	0.7
70.90418	0.7
70.90763	0.3
77.03894	0.4
79.05054	0.6
79.05489	8.0
85.81009	0.3
91.05479	22.2
92.05782	0.6
93.07042	5.6
94.07348	0.4
95.04973	2.7
103.05457	4.4
105.07028	57.3
106.07374	2.4
107.08601	1.2
115.05453	6.8
116.06315	1.7
117.07021	9.6
118.07806	9.7
119.08132	0.5
129.06972	0.8
131.08569	8.6
133.10126	100.0
134.10468	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02382	0.6
53.03951	1.6
55.05508	4.1
65.03943	1.0
67.05511	1.1
71.45104	0.8
76.02380	0.5
77.03938	1.7
78.04714	0.5
79.05489	10.4
91.05486	31.8
92.05803	2.1
93.07059	7.3
95.04971	3.9
103.05480	5.9
105.03389	1.5
105.07033	100.0
106.06649	0.7
106.07344	4.5
107.08608	1.0
115.05454	8.1
116.06306	1.2
117.07032	8.8
118.04144	0.6
118.07028	0.8
118.07815	9.4
129.07016	1.1
131.08582	10.9
132.08922	0.6
133.02864	1.6
133.06520	6.3
133.10133	75.2
134.06026	1.1
134.07059	1.1
134.10463	3.3
150.32384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
69.07069	2.6
71.32244	0.8
72.08163	0.5
78.32961	0.3
82.07998	0.3
85.60555	0.4
86.09705	100.0
87.10040	4.2
92.05568	0.4
110.47326	0.4
123.07909	0.6
128.72787	0.4
132.10208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	L-Isoleucine
Peak:m/z	Relative Intensity
54.18421	0.7
55.05505	1.9
56.05036	1.1
58.06611	3.6
59.07376	1.1
60.05640	1.7
61.66710	0.8
69.07072	18.7
69.69460	4.4
69.69854	1.5
70.06577	1.8
72.04532	0.9
72.05634	3.0
72.08160	2.0
73.02917	0.8
73.08492	0.8
74.02427	1.0
74.06082	1.5
78.16885	0.5
86.06072	0.9
86.09705	100.0
87.10034	3.5
90.05562	1.7
101.06026	0.9
103.77047	0.7
114.06635	1.0
114.09173	0.8
115.05024	0.6
132.07716	1.2
132.10167	5.5
132.13857	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	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02373	1.3
53.03942	2.3
55.01872	4.9
55.05491	0.7
56.96568	0.6
58.05331	3.0
59.06107	0.7
65.03931	1.0
66.04710	2.3
70.06567	0.9
70.85717	1.2
70.86106	1.4
74.02435	0.9
74.06074	1.1
75.05582	1.4
76.04007	0.7
77.03918	2.0
79.05492	17.0
80.04978	0.7
81.03394	0.7
82.68747	0.8
85.04028	1.9
87.05585	1.3
90.04697	4.0
91.05474	7.5
93.07027	1.1
95.04971	6.4
95.87636	0.6
99.13480	0.8
99.53462	0.6
103.05463	14.0
105.03397	2.8
105.07027	100.0
106.06570	1.7
106.07360	3.2
107.04953	1.5
107.06086	0.9
112.02155	0.9
113.02963	1.1
115.05460	5.0
117.07007	1.5
118.04160	12.5
118.07796	1.4
120.78541	0.6
123.07915	1.5
131.04922	1.2
131.08580	1.8
133.02832	2.3
133.06487	81.3
133.10146	9.4
134.05975	1.4
134.06905	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
53.17107	0.4
55.05517	3.4
62.04579	0.4
65.03931	0.7
67.05507	0.9
70.94966	0.7
70.95329	0.7
77.03918	1.0
79.05491	9.3
90.45280	0.3
91.00413	0.3
91.05479	23.2
92.05812	0.9
93.07040	6.7
95.04958	2.6
103.05472	5.1
105.03400	0.9
105.07030	67.5
106.07351	2.8
107.08591	1.6
109.06506	0.4
109.64037	0.4
115.04679	0.7
115.05453	8.3
116.06239	1.3
117.07019	9.6
118.07811	9.1
118.08506	0.2
118.08652	0.4
119.08173	0.6
119.37419	0.4
129.07008	1.1
131.08566	7.9
133.02847	1.4
133.06483	3.1
133.10127	100.0
134.06041	0.6
134.07074	0.7
134.10474	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	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03933	3.2
55.05496	0.7
56.05023	3.5
56.96564	5.1
57.03438	6.3
58.02954	1.0
58.06582	2.2
59.06111	0.9
59.20496	0.8
65.03921	1.1
68.05010	0.9
69.03423	2.3
70.03757	1.8
70.06599	0.9
71.59733	1.1
71.60111	0.9
72.04518	1.7
72.08148	1.5
74.06091	1.0
77.03940	0.9
78.05886	0.9
78.13278	0.7
84.04499	1.3
85.04820	1.2
86.00106	0.7
86.06064	2.3
86.07996	0.8
86.09700	4.3
87.05620	1.4
89.07183	1.1
91.05479	92.3
92.05791	3.5
95.04957	7.1
96.97107	0.7
102.04691	1.4
102.06556	0.9
103.05464	100.0
104.05053	1.5
104.05789	5.2
105.04557	1.2
105.07060	1.2
113.07172	1.6
113.07938	6.5
114.05486	0.8
115.05450	8.7
116.06236	28.4
117.06548	1.3
117.32221	0.8
128.06218	2.2
129.07002	16.8
131.03406	0.9
131.04929	15.2
131.06920	2.8
131.08560	91.4
131.16237	0.8
132.04419	1.5
132.05533	1.1
132.06564	2.8
132.08054	1.4
132.08914	6.4
133.06511	1.8
143.06041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.02374	0.7
53.03932	1.4
54.03448	0.6
55.01865	0.7
55.05502	0.7
56.05027	1.6
56.96555	1.0
57.03439	3.8
57.04546	0.8
58.02963	1.1
58.05333	1.7
58.06594	2.0
59.06134	0.8
68.05001	0.6
68.42087	0.5
69.03426	0.7
69.04480	0.5
69.07066	1.4
70.06590	0.9
70.27399	1.2
70.27786	0.9
71.06110	0.9
72.04501	1.2
72.08142	2.2
72.93790	1.2
73.09371	0.5
74.02419	0.8
74.06089	1.3
74.19144	0.5
75.05607	3.6
77.03926	1.3
79.05502	2.5
79.54599	0.7
84.04514	0.9
84.05632	0.6
85.04034	1.4
86.06062	2.1
86.09712	4.3
87.05605	2.5
90.90391	1.6
90.94835	0.6
91.05505	4.3
93.05779	0.9
95.04964	2.3
103.05470	1.8
104.05002	5.8
105.03381	2.1
105.04496	0.6
105.07032	16.1
106.06600	1.0
106.07293	0.6
112.02233	0.7
114.05525	1.2
115.05468	18.4
116.05766	0.8
117.05766	56.4
118.06107	2.5
123.07981	0.6
130.06528	7.1
131.07344	4.9
131.08203	0.7
132.04456	10.1
132.08098	100.0
133.02896	1.5
133.05212	0.9
133.06465	3.5
133.07556	1.4
133.08466	4.5
133.10143	2.6
143.06067	0.8
143.67531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
56.05037	1.3
56.96558	1.8
57.03437	4.8
58.02969	0.6
58.06586	0.4
62.17622	0.4
65.03943	1.3
68.95291	1.3
69.03430	1.0
70.03766	1.7
71.49982	0.4
72.04537	0.4
72.08171	0.6
73.77927	0.5
83.13833	0.5
84.04501	0.6
85.04783	0.4
85.08456	1.1
86.06070	1.1
86.09728	0.8
91.05481	100.0
92.05798	3.9
95.04971	3.4
98.97598	0.6
103.05468	44.2
104.05103	0.7
104.05804	2.5
105.04549	0.8
105.07088	0.7
109.06551	1.0
113.07416	0.3
113.07966	3.8
115.05472	6.3
116.06246	18.9
117.06581	0.7
127.98943	0.6
128.06235	1.5
129.07010	13.7
130.07404	1.3
131.04930	6.0
131.08565	76.4
132.04442	0.6
132.05600	0.7
132.06528	2.6
132.08057	1.8
132.08916	5.2
133.06494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
56.05030	0.9
56.96572	2.1
57.03439	4.4
65.03925	1.5
69.03429	1.6
71.60724	0.6
71.61139	0.8
84.04521	1.1
85.02892	0.7
86.06082	0.8
86.09711	1.4
88.00565	0.6
91.05481	100.0
91.09155	0.7
92.05820	4.3
95.04951	1.3
99.42251	0.6
103.05470	13.8
104.04968	0.8
104.05822	0.9
105.07037	1.1
109.06536	1.1
113.07952	2.8
115.05472	8.5
116.06243	25.0
117.06527	0.8
128.06226	1.3
129.07011	12.6
130.07336	1.9
131.04901	2.4
131.06927	2.2
131.08566	73.7
132.04486	1.1
132.06558	2.8
132.08031	1.5
132.08910	6.2
133.06487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
52.56086	0.6
53.03944	3.3
55.05479	0.6
56.05037	3.7
56.96569	4.0
57.03442	5.4
58.02976	1.1
58.06601	2.0
59.06113	1.3
60.04527	1.0
68.05029	1.3
68.95288	0.7
69.03419	2.2
69.49744	0.7
70.03773	1.0
70.06602	0.8
71.04977	0.7
71.59824	1.2
72.04507	1.8
72.08148	2.2
72.93783	0.7
83.02481	0.7
83.06079	0.9
84.04488	1.8
85.02921	0.6
85.04835	1.0
85.07677	0.8
85.08459	1.6
86.00661	0.8
86.06054	2.5
86.09698	4.2
87.05593	1.4
88.07659	0.8
91.05478	100.0
92.05812	4.6
93.03748	1.0
95.04946	3.7
96.04471	0.9
98.04793	0.8
98.97549	0.6
102.04688	0.9
103.05465	42.8
104.05022	1.3
104.05799	1.9
105.04510	1.1
105.06996	0.9
113.07189	1.4
113.07933	5.4
114.05536	1.5
115.05447	9.1
116.06238	33.4
117.05759	1.0
117.06538	1.4
128.06235	1.3
129.07002	17.4
130.07327	1.4
131.04942	7.1
131.06914	2.3
131.08563	95.7
132.04436	1.6
132.06573	4.3
132.08116	1.1
132.08928	5.3
133.06491	1.6
133.74266	0.6
143.06076	1.1
143.61298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71243	1.1
51.81964	1.1
52.65999	1.0
55.05500	3.7
56.05029	4.0
56.51056	1.1
56.96555	4.0
57.03411	1.5
57.07075	78.5
58.06596	1.8
58.07403	3.1
59.06110	4.1
67.05484	1.1
69.03429	40.3
69.07067	5.9
69.86379	4.3
69.86803	2.9
70.03726	1.5
70.06589	7.8
71.04977	3.0
72.04505	4.6
72.08154	17.3
74.09719	52.9
77.30594	1.0
77.91451	1.3
79.15541	1.0
80.13654	1.1
81.01610	1.2
82.06585	2.2
83.06085	1.5
84.04501	20.5
84.08144	31.8
85.02908	1.9
85.07657	6.5
85.08434	1.6
86.06080	1.5
87.09238	2.6
88.37097	1.0
88.81837	1.1
91.05472	7.6
95.04937	3.0
103.05466	20.0
108.18497	0.9
112.07603	94.9
113.07121	5.9
113.07941	4.7
113.10718	1.1
115.05504	1.6
116.06245	3.5
129.06999	1.7
130.05026	1.8
130.06535	21.3
130.08644	19.2
130.09639	2.5
130.15913	100.0
131.04935	5.2
131.08537	6.2
131.16278	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	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
56.05035	1.7
56.96574	0.7
57.03440	3.8
58.02965	1.0
61.62564	0.6
65.03940	1.9
68.05026	0.6
68.95293	0.7
69.03421	0.7
71.60815	1.1
77.24512	0.5
77.54082	0.5
84.04503	1.0
85.04822	0.9
86.06052	0.7
86.09711	2.4
86.28322	0.5
91.05480	100.0
92.05799	3.7
95.04948	1.1
103.05470	12.6
103.06133	1.1
104.05766	0.8
105.07056	0.7
109.06538	1.0
113.07954	2.3
115.05456	6.2
116.06246	23.7
117.06551	1.4
128.06177	1.8
129.06995	14.3
130.07344	1.6
131.04926	1.1
131.08563	77.3
132.06558	3.1
132.08051	1.9
132.08908	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	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
56.05029	0.9
56.96566	1.4
57.03433	1.8
58.02966	0.8
58.06602	1.0
59.06131	0.6
65.03946	1.2
68.05018	0.7
69.03435	0.6
70.03780	0.9
70.06596	0.5
72.04522	1.0
72.08159	0.9
78.14408	0.4
83.06113	0.4
84.04495	0.7
84.63676	0.4
85.08482	1.1
86.06071	1.0
86.09711	1.0
87.05595	0.8
91.05482	100.0
92.05808	4.4
95.04971	2.3
103.05466	24.8
104.05812	1.5
105.07066	0.9
113.07198	0.9
113.07942	2.3
115.05460	8.6
116.06240	31.4
117.06570	1.4
128.06224	1.8
129.07007	18.6
130.07338	1.3
131.04944	3.8
131.08566	94.4
132.04453	0.5
132.06564	1.3
132.08893	5.9
133.06494	1.7
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	CYCLOLEUCINE
Peak:m/z	Relative Intensity
53.17900	0.2
55.05514	0.5
55.60746	0.2
56.04781	0.3
56.05037	4.4
56.96565	1.1
57.03436	0.5
58.04083	0.5
58.06599	0.5
59.04999	0.2
60.05643	0.3
67.05505	0.6
69.03434	0.5
70.06586	3.4
70.13058	0.9
71.04996	0.3
72.04517	0.4
72.08150	1.8
81.14783	0.2
82.06593	0.2
84.04506	24.9
84.08141	100.0
85.02901	1.3
85.04839	0.5
85.07911	0.3
85.08478	3.4
88.03983	0.5
95.04981	0.2
98.20797	0.2
98.97585	0.6
100.02470	0.3
102.05510	0.3
112.07596	1.1
114.09170	0.9
116.98611	0.5
119.01900	0.4
128.98602	0.2
130.05009	2.5
130.08635	11.3
130.12279	0.2
131.08937	0.5
143.38817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
55.05505	0.4
56.05035	5.5
56.96565	2.0
57.03433	1.2
57.07083	0.4
58.06599	0.4
58.54854	0.2
58.85255	0.2
60.04537	0.3
61.46138	0.3
67.05506	0.7
69.03431	9.1
69.07062	1.1
69.60493	0.7
69.60920	0.9
70.06593	4.7
71.04978	1.3
72.08144	1.5
82.06577	0.6
84.04506	34.0
84.08141	100.0
85.02905	1.9
85.04836	1.1
85.08478	3.4
86.09636	0.3
88.03991	0.3
88.07625	0.5
91.05466	0.3
98.21595	0.4
98.97577	0.7
100.02467	0.3
102.05527	0.3
102.09172	0.3
103.05524	0.5
112.07606	20.2
113.07941	1.0
114.09163	0.5
116.98621	0.7
119.01855	0.6
130.05019	3.7
130.06546	1.4
130.08640	14.5
130.12294	0.5
130.15942	0.4
131.03427	0.3
131.08969	0.5
134.99638	0.5
137.44165	0.3
141.60591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0864
Annotation	1-Aminocyclopentanecarboxylate
Peak:m/z	Relative Intensity
53.03945	0.4
55.05509	0.5
55.82750	0.3
56.05035	4.0
56.77001	0.3
56.96290	0.6
56.96563	9.3
57.03439	3.6
57.05365	0.3
58.06601	0.3
60.05645	5.1
61.02910	0.4
63.14499	0.2
67.05509	0.8
68.02654	0.5
69.03425	1.0
70.06594	1.4
71.04991	1.8
71.13452	0.6
72.08152	16.6
73.02918	1.3
74.97603	0.5
75.01064	0.3
75.04466	0.7
77.00836	0.3
81.03426	2.0
84.01567	0.4
84.04504	12.7
84.08141	100.0
84.96035	0.6
85.02892	1.6
85.04787	0.3
85.08468	3.1
86.01337	0.3
86.03690	1.6
86.09710	1.1
88.07628	0.4
89.00789	0.3
89.90692	0.8
90.01075	0.3
90.01518	1.5
91.02341	0.4
92.01313	0.4
96.01559	0.8
96.02397	0.3
97.07666	1.0
97.96799	1.0
98.97578	3.1
99.02064	0.8
100.02482	0.3
105.02065	1.0
109.02903	1.0
110.01283	2.3
110.97559	0.4
112.07587	1.4
113.07165	0.3
114.10298	2.2
114.12830	0.4
115.97866	1.3
116.98610	3.6
119.01822	1.7
128.02310	1.9
128.98602	1.0
129.53966	0.3
130.05026	0.8
130.08643	11.0
130.09650	0.5
131.12898	0.6
133.98895	1.2
134.99638	2.2
137.02856	1.1
137.63989	0.3
146.99669	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.039
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
50.68862	0.2
53.03704	0.3
53.03941	3.5
55.01871	1.7
55.05495	0.6
56.05014	0.4
57.03421	0.4
58.06588	0.8
58.37438	0.2
59.06121	0.9
60.06437	0.3
65.19348	0.2
67.01857	0.6
67.05498	0.5
68.05020	1.2
69.03414	0.8
69.05347	0.7
69.66501	1.3
70.06236	0.2
70.06596	2.1
71.01336	0.5
71.04988	1.6
72.04501	0.4
77.42824	0.2
81.03415	6.1
81.07040	0.7
82.06573	1.2
83.06102	0.8
84.02125	0.3
84.04503	0.3
84.08139	0.3
85.02885	0.6
85.07666	0.5
86.06057	0.8
87.06827	0.3
95.06110	0.2
96.06876	0.2
97.02876	0.5
97.07652	0.4
99.04454	1.0
100.07600	0.3
109.02876	9.0
109.07639	1.4
110.03210	0.2
110.06045	0.4
110.07944	0.4
111.09192	4.6
111.09964	0.2
127.03910	100.0
127.08670	1.0
127.10632	0.3
128.03340	0.4
128.04239	3.7
128.06206	0.2
128.07080	0.6
128.11818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
51.02364	0.2
52.70459	0.2
53.03933	0.8
55.02995	0.3
55.05503	0.7
56.05035	1.5
56.96565	1.5
57.03437	0.5
57.07064	0.4
58.06583	0.4
59.06121	0.6
67.05495	0.3
68.05025	0.3
69.03432	8.4
69.07085	1.4
70.06604	1.1
70.85291	0.6
71.04991	0.4
71.83861	0.2
72.04513	0.8
72.08162	3.3
73.04048	0.4
74.09686	0.2
77.03912	0.4
82.06582	0.5
84.04510	3.3
84.08148	6.4
85.02861	0.3
85.04037	0.3
85.07661	1.0
87.09223	0.4
90.04301	0.3
91.05479	0.5
94.06565	0.4
95.04965	2.6
98.97597	0.3
102.04701	0.4
102.05529	0.2
103.05478	12.0
104.05791	0.4
105.04502	0.5
112.05069	0.3
112.07612	17.1
113.07173	0.5
113.07890	0.4
116.98660	0.5
128.04973	1.7
130.06532	100.0
130.15901	0.4
131.04950	0.3
131.06873	4.7
134.99681	0.3
146.06003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Benzene-1,2,4-triol
Peak:m/z	Relative Intensity
50.68655	0.7
51.02379	1.0
53.00301	1.3
53.03943	23.7
54.03451	1.8
54.04279	1.1
55.01866	8.0
55.05510	4.0
56.05024	6.1
56.96558	2.1
57.03435	7.8
57.04551	0.8
57.07080	0.7
58.06603	6.1
59.05003	0.7
59.06119	4.0
60.04523	1.1
60.06441	1.1
65.03944	1.7
67.01859	3.9
67.04230	1.1
67.05493	2.0
67.93563	1.4
68.02644	2.1
68.05024	9.6
69.03426	22.2
69.04536	0.8
69.05367	3.5
70.06589	13.1
71.01352	22.4
71.04990	20.8
71.07352	1.4
71.53058	1.0
72.04516	2.5
72.08163	2.5
74.98161	0.8
79.05495	2.1
80.05006	2.3
81.03413	100.0
81.07042	4.0
82.02946	1.7
82.03731	4.9
82.06575	23.6
82.07065	1.2
83.01341	1.9
83.04955	1.4
83.06096	6.3
83.06891	0.7
84.02134	3.3
84.04489	10.0
84.06862	1.0
84.08150	4.4
85.02901	6.3
85.06551	1.2
85.07652	4.0
86.06067	8.8
87.06842	5.4
90.03433	2.4
91.05471	1.6
91.67535	0.7
92.05010	0.9
92.06324	0.9
95.01321	2.6
95.06055	1.2
96.06870	1.2
97.02911	1.9
97.07639	5.6
97.10984	0.8
98.03666	1.1
98.06055	1.2
98.07175	1.3
99.04452	11.1
99.05562	1.3
100.04746	0.7
100.07607	11.0
100.99704	2.3
104.25322	0.7
104.56008	1.0
106.06549	2.6
107.07340	2.0
109.02873	76.4
109.06535	0.8
109.07634	15.2
110.02473	1.2
110.03210	4.2
110.06041	11.5
110.07222	0.9
110.07861	1.2
110.08520	1.5
110.09677	1.1
111.09205	16.6
112.01583	3.1
118.06535	3.5
118.55820	0.8
119.07340	5.0
123.07948	1.6
127.03914	79.0
127.04943	4.0
127.07648	1.3
127.08660	11.0
127.09597	1.3
127.10641	2.6
128.00768	4.8
128.03436	2.2
128.04280	2.9
128.07076	20.5
128.08081	1.1
128.10756	1.1
128.11812	1.4
128.27904	0.6
134.05992	1.6
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	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
53.00299	2.6
53.03949	29.0
54.04252	1.0
55.01879	7.0
55.05503	2.4
56.96559	1.7
57.03444	6.4
65.03944	0.9
67.01862	2.1
68.02644	2.5
69.03432	24.8
70.06593	2.3
71.01358	14.1
71.04996	15.0
71.14059	1.9
78.03607	0.7
79.05488	1.3
81.03423	100.0
81.07058	2.5
82.03756	3.5
82.06577	4.1
83.01363	1.5
83.04989	0.9
84.02113	1.9
84.08146	1.5
85.02930	4.0
86.06071	1.2
88.76468	0.8
92.29324	0.9
95.01335	3.7
97.02889	2.4
97.07655	1.2
98.03681	1.3
99.04456	7.8
100.07641	1.4
109.02887	81.1
109.07663	1.0
110.03231	3.3
111.09209	2.6
111.28278	0.8
112.01604	1.2
127.03928	45.8
127.07167	1.3
127.08645	0.9
128.03433	3.4
128.04318	2.2
128.07060	2.0
143.83922	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02376	1.0
53.03947	6.3
54.03462	2.4
55.01864	2.4
55.05513	8.2
56.05039	5.1
57.07074	1.2
58.06594	0.6
65.03945	2.5
67.03671	0.6
67.05507	37.3
68.05029	3.5
68.05845	0.9
69.03436	1.1
69.04559	0.9
69.07061	1.0
70.06610	2.8
71.60670	1.0
77.03915	1.3
78.03446	0.7
79.05499	19.1
80.05022	17.4
80.05816	1.4
80.06271	1.7
81.03430	2.5
81.04555	6.1
81.07058	31.2
82.01468	1.5
82.04876	0.9
82.05323	0.8
82.06579	0.8
82.07384	0.9
83.05000	0.7
83.05673	0.9
83.06109	5.7
89.51719	0.6
90.04710	1.0
91.05479	4.2
93.07047	11.1
95.04973	29.8
95.06107	1.9
95.08609	47.1
96.04504	7.0
96.05279	1.2
96.06422	0.9
96.08168	1.0
96.08937	1.3
97.07648	5.6
100.02480	16.8
101.02581	1.3
102.08141	0.5
103.05466	2.0
105.03407	0.8
105.04523	2.6
105.07035	17.1
106.06680	0.6
106.07364	2.5
107.04953	11.3
107.06062	6.0
108.05744	56.7
108.07669	4.2
109.06087	2.4
112.03986	0.9
118.03523	19.5
119.01929	6.8
119.03569	1.5
121.06516	10.2
123.04469	8.5
123.05575	30.4
123.08083	100.0
123.09924	5.2
123.11692	5.7
124.03972	6.6
124.05074	1.6
124.05907	0.7
124.07587	1.6
124.08694	13.8
125.06022	0.8
137.02943	6.0
140.03366	0.6
141.05043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54391	0.2
68.90408	0.2
70.06073	0.4
70.06469	1.1
82.01428	0.3
82.99847	0.9
83.01508	0.3
83.95623	0.2
86.64451	0.3
98.20831	0.3
100.02466	1.2
101.00883	11.7
101.02563	2.2
102.00964	0.7
102.02223	1.4
110.03066	0.2
118.03515	1.1
119.01924	100.0
119.03654	2.5
120.02003	5.5
120.03300	0.7
121.02328	0.6
124.08775	0.2
137.02960	51.9
138.03021	2.7
142.03493	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.15265	0.7
50.28849	0.7
51.02372	1.0
51.04246	0.6
53.03944	6.8
54.03463	2.6
55.01867	2.4
55.05264	1.2
55.05513	16.1
56.05035	5.9
57.03432	1.1
57.07055	1.3
65.03932	3.4
66.03479	0.8
67.01855	0.7
67.05504	70.7
68.05033	3.8
68.05836	2.6
69.03423	0.9
69.04559	1.4
69.07048	1.0
70.06590	2.1
71.60487	0.9
71.60860	0.9
77.03940	1.3
78.03444	0.7
79.05495	18.9
80.05020	14.5
80.05805	1.5
80.06276	1.8
81.03430	7.0
81.04535	7.2
81.05785	1.2
81.07056	32.8
82.01435	1.4
82.04176	0.9
82.05318	1.3
82.06572	0.6
82.07388	1.1
83.04980	2.4
83.05676	1.1
83.06110	7.6
91.05473	11.4
93.07043	24.8
93.67921	0.7
94.07368	1.2
95.04970	44.2
95.06063	2.3
95.08606	57.3
96.04487	8.1
96.05169	0.8
96.05286	0.7
96.08133	1.5
96.08941	3.0
97.07653	5.6
100.02483	18.4
101.00901	1.0
101.02583	1.6
103.05489	3.2
105.04523	2.4
105.07026	20.5
106.02935	0.7
106.04816	0.7
106.06664	0.7
106.07360	4.1
107.04945	3.5
107.06085	6.4
108.05741	19.1
108.07665	6.3
111.41212	0.6
112.03996	0.9
118.03522	17.8
119.01917	8.8
119.03657	1.5
121.06525	2.0
123.04464	4.4
123.05572	25.2
123.08079	100.0
123.09934	8.1
123.11660	5.6
124.03957	7.5
124.04885	1.1
124.05928	1.1
124.07583	2.0
124.08676	15.1
137.02956	5.6
142.03590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03948	7.3
54.03458	2.3
55.01881	3.1
55.05264	1.1
55.05510	18.9
56.05039	3.8
57.03433	1.0
57.07079	1.2
65.03938	4.0
67.05503	77.1
68.05024	1.9
68.05824	1.6
69.03409	0.9
69.07072	0.8
70.06589	1.4
70.09283	2.8
73.61562	0.6
77.03931	1.0
79.05492	14.8
80.05016	11.3
80.05811	1.2
80.06269	1.9
81.03423	6.7
81.04533	2.9
81.07054	27.9
82.01462	1.1
82.04197	0.7
82.05342	1.0
82.07404	1.3
83.04992	1.5
83.06122	3.9
83.06543	0.7
89.30078	0.6
91.05482	9.7
92.05827	0.9
93.07043	19.7
93.07630	1.2
94.07379	0.9
95.04967	47.7
95.08604	56.5
96.04498	7.3
96.05298	1.6
96.08134	0.7
96.08929	1.9
97.07657	2.7
100.02478	13.2
101.02608	0.7
103.05471	2.6
105.03331	0.8
105.04544	1.7
105.07025	13.3
106.02896	0.8
106.07369	1.7
107.04962	2.2
107.06072	4.9
108.05741	11.9
108.07644	2.1
118.03514	12.8
119.01920	4.1
119.03626	1.5
121.06514	1.5
123.04465	3.4
123.05563	21.3
123.08076	100.0
123.09991	2.9
123.11671	4.1
124.03954	7.1
124.05104	0.7
124.07569	1.1
124.08641	10.3
137.02969	2.8
140.03474	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02393	1.1
53.03955	7.0
54.03463	2.6
55.01877	1.8
55.05516	11.9
56.05040	7.0
57.07082	4.9
58.06602	1.4
65.03939	2.9
67.05510	50.4
68.05024	3.4
68.05819	1.7
69.03427	1.9
69.04546	0.9
69.07069	3.1
70.06583	2.8
70.10016	0.7
71.60563	1.1
77.03936	1.9
78.03426	0.9
78.56362	0.7
79.05497	25.8
80.05024	19.5
80.05816	1.7
80.06271	1.4
81.03433	7.3
81.04547	7.5
81.07060	100.0
82.01447	1.2
82.05328	0.8
82.07392	2.1
83.04974	0.8
83.05674	1.4
83.06112	7.4
91.05499	2.8
93.07045	11.7
94.07810	0.8
95.04977	26.5
95.05566	1.3
95.06078	1.6
95.08612	44.0
96.04500	10.9
96.08164	1.5
96.08944	1.6
97.07084	1.1
97.07658	7.5
100.02489	25.0
101.00823	0.7
101.02573	2.0
103.05510	1.3
104.05831	1.0
105.03406	1.5
105.04543	1.5
105.07030	11.2
106.06630	0.9
106.07382	2.5
107.04970	4.8
107.06075	7.6
108.05747	28.3
108.07710	3.4
108.09390	1.3
109.06062	1.2
118.03532	27.3
119.01920	9.8
119.03636	3.0
121.06498	5.3
121.10152	1.2
123.04483	10.9
123.05591	35.0
123.06657	1.9
123.08106	75.7
123.10030	3.5
123.11709	21.1
124.03954	9.3
124.04897	0.8
124.05087	0.7
124.05960	1.2
124.07614	2.3
124.08718	18.0
124.12025	1.3
135.05627	0.7
137.02960	8.0
140.03383	0.9
141.05095	1.5
142.03487	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02378	0.9
53.03947	7.0
54.03480	3.1
55.01868	2.3
55.02991	0.6
55.05510	17.1
56.05041	5.1
56.70997	0.5
56.96561	0.7
57.03431	0.9
57.07072	1.1
58.06602	0.8
65.03651	0.6
65.03939	3.4
66.03448	0.9
67.05503	81.8
68.05029	3.0
68.05836	2.4
69.04590	0.7
69.07058	0.9
70.06590	2.3
70.52605	0.5
70.54825	0.7
71.60886	1.0
77.03940	1.2
78.03468	0.6
79.05490	18.4
80.05017	17.3
80.05817	1.2
80.06289	1.8
81.03423	7.1
81.04538	5.8
81.07056	34.4
82.01440	1.1
82.04884	0.6
82.05328	1.6
82.06582	1.1
82.07381	0.9
83.04984	2.1
83.05671	1.0
83.06107	7.2
91.05474	11.0
91.06006	0.8
93.07043	21.8
94.07354	0.9
95.04967	51.8
95.06078	1.8
95.08604	59.3
96.04498	8.1
96.05299	1.8
96.08163	0.6
96.08945	2.0
97.04091	0.6
97.07648	7.0
100.02480	18.1
101.02603	1.6
103.05473	2.6
105.03391	1.0
105.04523	1.9
105.07021	15.4
106.02914	0.6
106.07362	2.3
107.04979	3.3
107.06075	6.9
108.05737	13.6
108.07654	2.9
109.06096	0.9
110.05675	0.5
110.06464	0.5
112.03961	0.6
118.03518	19.2
119.01923	6.0
119.03629	1.7
121.06540	1.9
123.04465	8.0
123.05578	33.1
123.08086	100.0
123.10009	3.1
123.11674	5.6
124.03955	8.7
124.04852	1.0
124.05938	0.9
124.07602	1.6
124.08699	15.9
133.62550	0.6
137.02960	3.6
141.05109	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
53.03942	6.0
54.03465	2.6
55.01861	2.1
55.05508	26.6
56.05033	4.0
57.07069	3.1
65.03935	4.4
67.03018	0.7
67.05502	97.8
68.05009	3.2
68.05839	2.8
69.03423	1.6
69.04563	1.1
69.07053	2.0
70.06574	1.4
71.60331	1.1
74.40905	0.8
75.28397	0.7
78.91679	0.7
79.05488	17.0
80.05019	10.5
80.05817	1.2
80.06274	2.6
81.03424	2.0
81.04552	3.8
81.05801	1.2
81.07054	52.5
82.01425	1.1
82.05331	0.7
82.06564	1.3
82.07390	0.9
83.05669	0.8
83.06116	5.8
86.02755	0.7
89.54200	0.7
91.05471	3.7
93.07040	16.8
94.07323	1.1
95.04967	19.8
95.08601	100.0
96.04488	4.9
96.05155	0.7
96.08111	1.3
96.08933	4.1
97.07652	4.8
100.02472	8.0
103.05475	1.2
105.04504	1.2
105.07031	9.5
106.06637	0.7
106.07391	2.7
107.04956	4.1
107.06057	5.4
108.05735	23.7
108.07652	3.7
109.06107	0.7
112.34438	0.8
118.03506	5.7
119.01918	5.6
121.06513	4.1
123.04431	5.2
123.05554	16.8
123.08076	57.6
123.09921	5.2
123.11677	12.4
124.03984	4.1
124.05910	0.8
124.07610	1.8
124.08672	8.6
137.02975	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02380	0.7
53.03949	7.2
54.03473	5.6
55.01867	2.6
55.05512	18.4
56.05036	8.2
56.96568	1.0
57.07088	1.8
58.06604	1.3
62.12803	0.7
64.97430	0.7
65.03940	5.1
66.03449	1.2
67.05505	86.6
68.05036	6.2
68.05838	2.7
69.03432	1.0
69.04543	1.8
70.06602	3.0
71.60066	1.1
77.03944	2.9
79.05497	13.7
79.05962	1.0
80.05019	28.7
80.05811	1.9
80.06260	1.7
81.03426	8.0
81.04547	11.4
81.05814	1.5
81.07056	30.2
82.01465	1.1
82.04878	1.4
82.05328	2.4
82.06589	1.6
82.07385	0.8
83.04988	1.5
83.05657	1.5
83.06103	14.6
91.05477	5.5
93.07050	17.3
95.01345	0.7
95.04972	69.3
95.06088	3.3
95.08608	59.7
96.04492	13.6
96.05261	1.6
96.08125	2.1
96.08968	2.1
97.07657	9.2
100.02478	26.6
101.02560	2.2
103.05522	1.0
104.05846	1.6
105.03424	0.9
105.04502	1.5
105.07030	5.3
105.50533	0.7
106.02941	1.5
106.06647	1.2
106.07346	6.5
107.04970	1.5
107.06083	14.4
107.07356	1.1
108.05753	7.6
108.07679	12.8
112.04013	0.9
117.21568	0.7
118.02693	1.3
118.03529	27.4
118.06503	1.3
119.01922	14.7
119.03640	2.2
121.06532	1.0
123.04469	13.9
123.05581	43.9
123.08094	100.0
123.09148	3.2
123.09959	13.9
123.11697	6.0
124.03976	11.1
124.04903	1.2
124.05893	1.6
124.07607	2.9
124.08712	25.5
124.11245	0.9
125.07153	0.7
137.02960	12.7
140.03467	0.9
141.05098	1.0
142.03539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03952	5.9
54.03471	2.1
55.01875	1.4
55.02996	0.8
55.05516	6.5
56.05036	5.3
57.07067	0.9
58.06585	1.1
65.03931	1.7
66.03452	0.8
67.05507	36.4
68.05029	3.9
68.05838	0.9
69.03381	0.8
69.04564	1.2
69.60740	1.3
69.61147	3.6
70.06596	2.3
77.03937	1.1
79.05496	18.9
80.05021	17.7
80.05799	1.6
80.06276	2.7
81.03432	1.9
81.04536	7.1
81.05796	0.9
81.07059	22.6
82.01435	1.0
82.05322	1.3
83.05663	1.0
83.06106	8.9
91.05499	1.5
93.07053	6.6
95.04971	23.0
95.06037	1.4
95.08609	52.6
96.04488	6.7
96.05091	0.8
96.08140	1.4
96.08929	1.7
97.07658	6.7
98.20665	1.1
100.02488	13.9
101.02559	1.1
101.68559	0.7
103.05467	3.0
105.03400	1.2
105.04537	2.0
105.07033	17.2
105.07687	1.3
106.02905	1.1
106.06709	0.9
106.07333	3.8
107.04960	14.1
107.06078	7.3
108.05745	71.3
108.07683	5.3
109.06062	2.2
118.03516	16.0
119.01937	8.2
119.03629	1.8
121.06510	10.7
121.08399	0.8
122.06887	1.0
123.04458	6.0
123.05578	29.6
123.08086	100.0
123.09914	6.5
123.11656	4.2
124.03957	7.3
124.04897	1.1
124.05930	1.6
124.07590	3.7
124.08683	17.1
125.06003	1.3
137.02934	5.5
138.65010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02387	0.7
53.03949	4.5
54.03477	4.5
55.01863	2.5
55.03797	0.7
55.05515	8.8
56.05035	9.9
57.07082	1.3
58.06594	2.0
65.03943	3.2
66.03461	1.0
67.03001	0.8
67.04263	1.2
67.05505	36.8
68.05031	8.6
68.05830	0.8
69.03433	2.1
69.04553	2.3
69.07078	1.1
69.37334	2.4
69.37759	2.2
70.06601	4.1
77.00914	0.7
77.03934	1.3
77.89243	0.5
78.03426	0.9
79.05493	12.0
80.05019	28.7
80.05797	1.0
80.06262	1.0
81.03430	2.7
81.04542	12.8
81.05345	0.8
81.05796	1.0
81.07058	26.6
82.01440	1.1
82.02972	0.7
82.04875	0.9
82.05326	1.8
82.06584	2.1
82.07384	0.5
83.04977	0.6
83.05675	1.2
83.06105	17.9
84.06929	0.6
91.05497	2.1
93.07056	5.7
94.06607	0.7
95.01360	0.8
95.04971	42.7
95.06094	3.7
95.07365	0.8
95.08607	21.0
96.04495	13.2
96.05243	1.0
96.06366	0.6
96.08121	3.2
96.08968	1.1
97.07656	9.6
99.05624	0.6
100.02481	25.1
101.00958	0.6
101.02602	1.6
103.05475	1.4
104.05821	1.0
105.03423	1.1
105.04501	2.5
105.07026	7.3
106.02939	1.8
106.06583	1.3
106.07391	4.0
107.04952	1.8
107.06081	14.6
107.07259	0.6
108.05736	10.2
108.06977	1.0
108.07670	6.2
110.58047	0.5
112.03999	1.8
118.03525	27.7
119.01921	14.3
119.03655	2.8
121.06490	0.7
123.04465	15.3
123.05577	47.1
123.08088	100.0
123.09128	3.6
123.09930	9.1
123.11663	4.1
124.03967	11.2
124.04952	1.2
124.05920	1.9
124.07612	3.7
124.08698	24.4
125.07130	0.9
136.04613	0.8
137.02959	12.7
140.03448	0.8
141.05115	1.3
142.03522	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01583	1.2
51.02378	4.8
53.03944	8.0
54.03466	2.1
54.04310	0.5
55.01862	2.2
55.05503	2.3
55.92571	0.5
56.05042	3.8
58.06587	0.6
58.51740	0.5
65.03944	2.6
67.02985	0.6
67.04253	0.6
67.05502	15.0
68.05025	3.6
69.04547	1.5
70.06575	1.3
71.05376	1.3
72.14886	0.5
77.03931	11.2
78.03442	0.7
78.04722	2.9
79.05492	3.7
80.05017	13.2
80.05760	0.8
81.03425	1.1
81.04542	5.8
81.07053	9.3
82.01427	0.9
82.04879	0.8
82.05334	1.3
82.06584	0.5
83.05636	0.8
83.06096	5.6
89.65229	0.5
91.53931	0.5
93.07043	0.7
95.04968	40.2
95.06046	1.6
95.08597	4.9
96.04493	6.1
96.06342	0.6
96.08118	1.0
97.07644	4.1
100.01851	0.9
100.02483	13.5
101.02528	1.2
105.03391	12.4
105.04471	3.3
106.02889	1.0
106.07349	1.8
107.06092	4.3
108.05721	1.4
108.07661	4.6
118.02678	0.8
118.03519	13.9
119.01925	6.8
119.83060	0.5
123.04423	100.0
123.05524	24.5
123.08161	8.7
123.09165	2.2
123.09962	4.4
123.11682	2.0
124.03934	4.9
124.04820	2.4
124.07729	0.8
124.08708	8.1
131.76576	0.5
137.02986	4.4
142.03537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.02374	0.3
53.03952	1.6
54.03467	0.8
54.26768	0.2
55.01875	0.4
56.05032	0.6
56.96582	0.4
59.07366	0.3
62.11716	0.2
65.03949	0.2
67.05495	2.0
68.05030	1.7
70.32404	0.4
70.32819	0.9
76.01750	0.2
78.03458	1.7
79.05489	0.7
80.05015	49.7
81.04538	0.8
81.05338	1.0
81.07073	1.2
82.05320	0.5
83.06104	1.6
95.04968	10.3
95.05994	0.6
95.08621	0.5
96.04489	15.4
97.07629	0.6
100.02459	2.0
101.00868	0.5
105.03387	0.3
105.04527	1.0
106.02905	2.7
107.06059	0.9
111.99632	0.3
118.03490	2.1
118.51660	0.3
119.01146	0.5
119.01927	4.4
123.05547	100.0
124.03948	3.6
124.04901	0.3
124.05079	0.3
124.05897	2.7
124.07871	0.3
124.08707	1.9
137.02925	2.2
140.44423	0.3
142.03455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
50.19490	0.3
51.02407	0.5
51.89769	0.3
52.35779	0.3
53.03942	2.0
54.03471	0.6
55.01875	0.9
55.05516	0.7
56.05048	0.6
56.96569	1.9
57.03436	1.3
58.06605	4.7
58.99883	0.8
59.07386	2.5
60.08180	1.1
61.02929	0.4
65.03928	0.4
66.25425	0.3
67.05507	4.6
67.05840	0.4
68.05029	1.4
69.03437	0.8
70.06606	0.5
70.99881	0.4
77.00895	1.6
77.03936	0.7
78.03460	7.0
78.06337	4.4
79.04256	0.5
79.05500	1.3
80.05022	47.7
81.03453	0.5
81.04557	1.4
81.05360	0.8
81.05794	0.4
81.07069	1.8
82.01456	1.3
82.05357	0.4
82.06607	1.8
82.92915	0.5
83.06124	0.4
83.07397	0.4
84.01531	0.4
84.08150	0.5
85.02917	0.5
88.02688	0.4
92.07909	0.4
94.06577	0.8
95.01968	0.7
95.04973	11.6
95.06077	1.0
95.08622	0.5
96.04500	17.9
96.08128	1.2
97.05290	2.2
98.97612	0.6
99.09241	0.8
100.00117	0.5
100.02489	22.3
100.07652	0.8
101.00874	3.0
101.02590	1.3
105.03400	0.8
105.04549	0.8
106.02924	15.5
106.06553	1.0
107.06104	0.4
108.06847	0.4
109.02993	0.3
115.02469	0.4
116.98624	0.8
117.10249	4.8
118.01156	4.2
118.03532	24.2
119.01929	33.2
119.03624	1.6
123.04533	5.7
123.05558	100.0
123.09153	3.9
124.03963	24.5
124.05904	2.8
124.07597	2.8
124.08701	1.2
131.01923	0.9
132.75662	0.3
133.03453	0.5
134.99698	0.6
136.02208	1.4
136.04558	0.7
137.02968	20.1
141.05116	0.8
142.03514	2.5
143.11784	1.1
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	Unknow
Peak:m/z	Relative Intensity
51.02372	2.3
51.88410	0.4
53.03708	0.7
53.03947	13.0
54.03473	6.7
55.01875	2.3
55.05515	2.7
58.02949	0.6
65.03942	7.9
67.02998	0.6
67.05497	2.9
67.73994	0.4
68.05013	1.5
69.41778	4.4
70.06573	1.7
77.03918	2.6
78.04697	1.3
79.05493	44.1
80.05035	0.6
80.05821	1.8
81.03447	2.3
81.04087	0.9
81.04542	13.1
81.07052	2.1
82.02941	0.6
82.05324	10.7
91.05482	55.2
92.05816	2.4
93.07044	52.6
94.06571	2.7
94.07373	1.9
95.04969	44.4
95.06026	5.5
96.05301	1.1
98.20765	1.1
102.04704	0.9
103.05470	53.1
103.55325	0.5
104.05759	2.6
105.04532	8.8
105.07030	100.0
106.06551	1.0
106.07256	1.9
106.07921	6.0
107.04874	1.0
107.07337	21.9
111.04452	2.7
113.91716	0.5
119.08585	14.6
120.05625	0.8
120.08113	0.5
121.02892	5.6
121.04059	2.7
121.06509	60.2
121.10142	41.1
122.07159	54.2
122.09666	27.6
122.10477	2.7
123.08067	13.7
124.08416	0.5
133.07629	4.9
138.06696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47197	0.5
58.99841	1.0
60.31557	0.5
70.08804	1.8
70.09206	1.1
77.00909	0.9
82.01444	8.7
98.21487	1.0
100.02484	75.1
101.00884	14.1
101.02558	3.3
103.78468	0.5
115.77296	0.5
118.03526	62.8
119.01924	100.0
123.04034	0.7
126.01588	0.6
128.31271	0.5
136.04567	2.3
137.02962	47.0
141.05083	1.7
142.03494	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	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01587	1.2
51.02386	4.4
51.56522	0.9
53.03944	15.2
55.01870	2.7
55.05500	1.4
56.05051	1.2
56.96564	13.5
57.03430	1.8
58.06601	1.9
65.03929	2.9
67.05504	14.5
68.05028	3.1
69.04551	8.0
70.06561	1.1
71.32130	1.1
77.00802	4.1
77.03927	11.5
78.03459	4.0
78.04696	1.7
78.06335	1.7
79.05492	3.3
79.56909	1.0
80.05017	42.4
81.03434	1.7
81.04546	2.5
81.07063	2.5
82.01426	1.3
82.04072	1.6
82.04879	1.2
82.05322	1.5
82.06579	2.1
82.92918	2.4
83.00816	1.7
83.06116	2.4
86.01307	1.7
86.88754	1.0
94.04052	1.2
95.04967	100.0
95.08598	1.5
96.04506	17.9
96.05632	28.3
97.05288	2.1
98.97577	5.7
100.02481	21.3
101.00845	5.8
105.03401	11.7
105.04500	5.4
106.02911	5.1
106.06579	2.1
107.06065	2.0
108.04355	2.7
115.44189	1.0
116.98624	4.0
117.10291	2.0
118.03521	16.8
119.01919	57.2
123.04438	98.3
123.05553	70.2
123.06669	23.3
123.08044	2.1
123.09148	5.6
123.95504	1.3
124.03952	44.7
124.04703	1.9
124.05908	2.0
124.07583	4.4
124.08717	4.7
134.99661	3.2
137.02960	33.7
142.03508	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02366	0.9
53.03944	8.7
54.03475	8.3
55.01865	1.2
55.05501	3.1
56.96561	1.4
58.02951	1.5
65.03939	5.4
67.02983	0.7
67.05499	3.1
68.05027	2.0
68.84090	0.8
70.06595	1.8
71.60291	1.4
76.02231	1.0
76.82198	0.7
77.03933	1.1
79.05492	40.3
80.05836	0.8
81.03423	1.3
81.04100	1.3
81.04546	16.5
81.05779	1.3
81.07040	1.2
82.05321	15.1
85.57092	0.7
91.05485	21.2
93.07043	31.3
94.06576	4.1
94.07336	1.4
95.04374	1.3
95.04967	20.5
95.06084	6.4
96.05289	0.9
99.93224	0.7
103.05465	20.2
104.05779	1.3
105.04545	6.0
105.07034	100.0
106.06535	2.6
106.07909	5.0
107.04910	1.4
107.07342	43.5
111.04426	1.8
119.08591	10.5
120.05599	1.8
120.08109	1.4
121.02889	5.4
121.03989	3.1
121.06500	11.6
121.07637	2.0
121.10146	41.5
122.06202	2.6
122.07154	72.9
122.09667	50.9
122.10429	2.1
123.08070	12.3
133.07600	3.9
134.07889	1.0
138.50055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01599	0.7
51.02367	1.8
53.03949	14.0
53.78441	0.4
54.03474	3.3
54.04284	0.6
55.01866	1.4
55.05513	2.7
56.96570	0.4
58.02956	0.6
63.53426	0.4
65.03938	4.2
67.05501	4.0
68.05008	0.6
70.06600	0.6
70.98475	1.0
77.03924	2.9
78.03273	0.3
78.04697	0.6
79.05494	24.7
80.05024	0.5
81.03431	2.3
81.04542	7.0
81.04983	0.7
81.07050	1.0
82.05335	5.7
91.05484	68.5
92.05807	3.4
93.03381	0.5
93.07046	100.0
94.06559	0.9
94.07376	4.7
95.04970	41.1
95.06066	1.5
96.05323	1.2
103.05466	9.8
104.05822	1.4
105.04526	8.3
105.07034	28.7
106.06561	1.1
106.07882	1.9
107.04945	0.6
107.07341	12.5
111.04448	0.9
114.23423	0.4
118.06517	0.5
119.08589	3.2
121.02863	2.4
121.03987	1.2
121.06512	22.5
121.08323	1.9
121.09446	0.4
121.10144	14.3
122.06073	1.3
122.07159	28.5
122.09669	17.0
122.10406	0.7
122.16081	0.4
123.08071	3.8
133.07605	1.0
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	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01595	1.0
51.02387	1.7
53.03945	15.4
54.03465	2.5
55.01870	2.4
55.05510	2.9
62.14004	0.4
65.03937	3.9
67.02993	0.5
67.05505	1.9
68.05025	1.2
70.06577	0.8
77.03915	3.1
78.04700	0.8
78.64570	0.4
79.05492	44.5
80.05821	1.3
80.06268	0.8
81.03417	2.1
81.04542	6.1
81.07050	1.9
82.05329	5.7
91.05479	57.7
92.05816	1.9
93.07041	55.5
94.04200	0.6
94.06580	1.1
94.07375	2.6
95.04967	44.8
95.06078	2.6
96.05293	1.2
98.20777	1.0
102.04697	1.2
103.05466	62.1
104.05785	2.7
105.04536	8.7
105.07026	100.0
106.07286	2.4
106.07936	5.8
107.04935	0.9
107.07338	10.5
111.04443	1.0
118.06585	0.7
119.08578	17.6
120.08907	0.9
121.02873	2.0
121.06502	72.6
121.10136	45.1
122.02320	0.5
122.07156	26.8
122.09670	11.2
122.10494	2.1
123.08065	14.0
133.07614	4.7
138.06769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02381	1.6
53.03950	16.0
54.03474	5.3
55.01865	2.5
55.05526	2.1
65.03933	5.0
67.02966	0.9
67.05501	2.5
68.05017	1.8
70.06601	1.1
70.51456	0.9
71.60418	1.4
72.17561	0.8
77.03931	2.5
77.66212	0.9
78.04710	1.6
79.05499	42.7
80.05010	1.4
81.03425	2.9
81.04556	8.7
81.07060	1.5
82.05324	10.8
83.55796	1.0
91.05487	48.7
92.05836	2.4
93.07050	50.5
94.06590	2.2
94.07330	2.0
95.04972	39.2
95.06052	5.7
96.05302	1.9
103.05470	46.8
104.05785	2.5
105.04546	5.8
105.07036	100.0
106.04159	1.2
106.06555	2.4
106.07246	2.2
106.07914	6.4
107.04893	1.6
107.07344	34.4
111.04462	1.1
119.08596	13.4
120.08122	1.3
121.02864	4.6
121.04034	2.0
121.06512	55.1
121.10146	36.4
122.07162	48.8
122.09674	43.3
122.10489	2.6
123.08079	12.3
133.07597	4.6
136.57501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
54.03470	4.0
55.01871	2.2
55.05498	0.9
55.34053	0.7
56.05032	0.7
56.96562	1.6
63.63441	0.6
65.03942	87.3
66.04279	2.4
67.03004	1.1
67.05511	1.4
68.05019	1.6
70.06584	1.0
70.94416	0.6
71.51413	1.1
79.05502	5.1
80.05038	1.4
81.04543	7.8
81.05824	1.5
82.05327	9.6
86.12695	0.5
88.67979	0.6
91.05489	4.0
93.03403	15.0
93.07047	6.6
94.06580	2.8
95.04984	4.1
95.06088	6.4
98.03690	3.0
103.05450	3.6
105.04536	2.4
105.07041	9.1
106.06553	1.1
107.04841	0.8
107.07348	9.3
111.04449	16.9
115.96032	0.6
119.08639	0.6
119.33134	0.6
120.05568	1.1
121.02893	100.0
121.03989	17.3
121.06477	4.5
121.07618	1.6
121.10175	2.6
122.03172	4.3
122.06187	1.2
122.07157	30.1
122.09653	14.6
123.08132	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01585	1.0
51.02375	2.5
53.03945	23.0
54.03471	4.2
55.01874	3.8
56.05032	1.7
56.71137	0.6
56.96564	18.3
57.03442	3.0
58.99581	2.8
60.04525	1.3
65.03939	8.4
66.03476	0.7
66.04310	0.5
67.02988	1.2
67.05499	1.8
68.00250	0.6
68.05040	2.8
68.99795	2.1
69.03424	1.3
69.83503	2.9
70.06602	0.9
71.95264	0.7
73.02911	1.8
76.02235	4.3
77.00819	0.7
77.03902	3.3
78.04729	0.9
79.05475	3.9
80.05023	2.6
80.93208	3.3
80.94947	1.2
81.03419	7.6
81.04535	9.3
81.05812	2.7
82.05321	9.0
84.95999	0.9
85.02908	1.1
86.99035	1.1
89.00758	0.9
91.02311	1.4
91.05478	77.5
92.01325	0.8
92.05788	2.7
93.03394	0.7
93.04553	1.1
93.07041	64.4
94.04099	2.1
94.06571	4.1
94.07370	2.4
95.04966	59.0
95.06023	8.3
96.01540	1.0
96.05299	1.8
97.00486	0.7
98.20784	1.0
98.94221	1.1
98.97585	3.7
102.04687	2.1
103.05463	100.0
104.05145	1.0
104.05772	4.4
105.00088	1.2
105.02032	1.6
105.04510	13.7
105.07021	2.4
106.01028	0.6
111.04440	1.6
116.98624	4.4
119.01850	2.3
121.02886	5.5
121.04004	4.2
121.05236	7.0
121.06499	98.8
121.07539	3.2
121.10133	1.9
121.95789	0.8
122.06041	2.0
122.07156	24.0
122.09665	1.3
128.02321	1.1
128.98584	1.0
129.01866	0.7
134.99628	3.4
139.96848	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02389	0.4
53.03945	2.0
59.06122	0.8
61.83082	0.4
65.03939	5.8
67.05499	0.4
71.40601	0.8
75.09904	0.3
77.03529	0.8
77.03918	0.4
78.04701	0.9
79.05492	7.1
79.05914	0.7
91.05482	100.0
92.05007	0.9
92.05811	2.4
93.07034	5.6
95.04977	5.1
96.05302	1.2
100.04583	0.3
102.04686	0.5
103.05466	12.1
104.06258	11.0
105.04549	0.5
109.06523	3.2
115.05466	6.2
116.04180	0.4
117.07021	36.1
118.07361	1.3
119.04971	3.6
119.06083	2.4
119.06836	1.4
119.08581	69.3
120.04490	0.8
120.05599	1.5
120.08105	0.8
120.08867	3.1
121.06493	0.9
124.90558	0.4
131.06023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.6
53.03947	2.8
56.05042	0.6
59.06120	3.0
60.04510	0.6
65.03940	5.2
69.42440	2.3
69.42870	2.9
74.06095	0.9
78.04702	1.4
79.05497	7.7
87.05595	0.8
91.05482	100.0
92.05019	0.9
92.05817	2.4
93.07043	5.3
95.04968	5.7
96.05313	1.4
98.21500	1.0
103.05462	12.6
104.06255	12.7
105.04498	0.9
105.07025	0.8
109.06516	0.9
115.05437	5.2
117.07017	20.6
118.07352	0.6
119.04964	2.5
119.08582	95.2
120.04443	0.5
120.05587	1.9
120.08115	1.1
120.08919	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02374	0.5
52.52323	0.4
53.03946	2.3
56.15308	0.4
61.71880	0.3
65.03936	3.6
67.72739	0.4
70.91329	1.3
71.03469	0.4
74.06097	0.6
78.04710	1.4
79.05493	7.1
91.05479	100.0
92.05002	0.5
92.05813	2.6
93.07040	6.3
95.04967	5.8
96.05321	0.8
96.62444	0.4
103.05466	15.1
104.05609	0.7
104.06255	10.8
105.04537	1.0
109.06516	1.8
115.05457	7.4
117.07014	40.1
118.07389	1.0
118.56451	0.4
119.04932	1.5
119.06088	1.1
119.08577	82.3
120.05603	0.8
120.08166	0.7
120.08909	3.3
121.06506	1.0
125.34508	0.4
131.06059	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03952	3.9
59.06120	2.2
65.03934	4.6
67.05508	0.6
69.60921	1.1
69.61333	2.6
72.96401	0.4
77.03892	0.7
78.04704	1.7
79.05487	8.9
90.97282	0.5
91.05477	94.9
92.05782	2.6
93.07033	5.9
95.04963	5.4
103.05465	11.7
104.05608	1.0
104.06253	13.9
105.04510	1.3
109.06500	1.4
115.05439	6.5
117.07015	19.6
118.07346	0.8
119.08575	100.0
120.08086	1.5
120.08933	3.2
136.45837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	2.8
54.04294	0.8
56.05054	1.0
59.06124	8.6
60.04522	1.3
60.36771	0.7
65.03941	6.1
71.37231	0.9
74.06085	1.2
77.03542	1.2
78.04739	1.0
79.05492	8.2
79.60254	0.6
87.05590	2.1
91.05482	100.0
92.05007	1.4
92.05817	3.1
93.07041	5.1
95.04961	4.5
96.05306	2.1
103.05464	10.5
104.06255	11.2
105.04484	1.1
109.06505	2.5
115.05457	6.0
117.07018	21.1
118.07341	0.9
119.04997	3.6
119.06151	3.8
119.08580	73.8
120.04451	1.2
120.05598	4.2
120.08079	2.8
120.08916	2.1
122.44468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03945	2.0
54.04276	0.7
55.05146	0.3
56.05036	0.4
65.03948	4.6
67.05515	0.8
71.60746	0.5
74.06084	0.7
77.03516	1.1
78.04711	1.0
78.93140	0.4
79.05499	6.8
91.05485	100.0
92.05022	1.3
92.05820	3.0
93.07040	4.0
95.04971	3.5
96.05315	2.1
97.12342	0.3
102.04697	0.5
103.05473	9.3
104.05629	0.5
104.06258	7.4
104.06892	0.6
105.04543	0.6
105.06596	0.5
106.04865	0.5
109.06535	1.3
110.06062	0.4
114.25064	0.3
115.05469	4.2
117.07024	21.1
118.07372	1.1
119.04996	2.6
119.06075	2.2
119.06863	1.7
119.08585	51.8
120.04469	0.9
120.05623	2.3
120.08112	1.3
120.08935	2.1
121.06518	0.5
135.64052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03949	1.7
56.96543	0.5
65.03939	3.7
70.76122	1.0
74.06071	0.5
77.03531	0.6
78.04710	0.9
79.05060	0.6
79.05496	7.4
91.05480	100.0
92.05011	1.1
92.05812	3.2
93.07040	3.6
95.04960	3.6
96.05293	0.7
103.05463	7.8
104.06255	7.5
105.04505	0.7
109.06528	1.7
115.05450	4.4
117.07016	23.1
118.07369	1.1
119.04911	0.9
119.06219	1.7
119.08578	51.0
120.04421	0.7
120.05599	1.7
120.08108	0.7
120.08921	2.3
121.06502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01585	3.4
50.55871	1.3
51.02368	6.1
53.03710	2.8
53.03949	46.7
54.87288	1.4
58.06578	1.6
59.06115	4.0
65.03932	6.8
70.56268	3.2
70.56666	3.9
72.08150	5.6
76.93362	5.9
77.03535	2.0
77.03921	7.5
79.05504	5.3
81.03409	5.3
84.47754	1.5
91.05486	90.5
91.18932	1.5
93.07061	1.7
94.94397	2.5
95.04972	100.0
96.05293	2.1
103.05485	9.2
104.06243	8.3
105.04522	18.5
109.06511	2.6
111.16015	1.5
115.05459	3.8
116.05846	4.0
117.07008	19.1
118.06549	78.4
118.07266	3.2
118.08688	3.3
119.04937	5.2
119.06097	2.7
119.06870	3.2
119.08584	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	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03949	0.6
56.05027	1.1
56.96555	1.1
58.06585	0.4
59.06125	12.0
60.04525	3.0
61.02913	0.9
63.02391	0.4
65.03940	15.4
66.04287	0.4
70.32936	0.4
71.60297	0.6
73.43797	0.4
74.06078	2.4
75.05602	0.5
77.03547	0.8
78.93107	0.4
79.02975	0.5
79.05487	1.8
81.50050	0.4
81.60976	0.4
83.81926	0.3
87.05598	1.6
87.48438	0.4
91.05479	100.0
92.04986	1.8
92.05813	3.3
93.04514	0.7
93.07037	1.4
95.04968	1.8
96.05315	0.8
96.94167	0.5
101.03915	0.3
103.05464	3.7
104.06252	2.0
109.06540	0.6
115.05447	1.0
117.07009	3.3
119.04944	22.5
119.06051	3.0
119.06815	0.7
119.08587	12.9
120.04482	1.3
120.05575	4.8
120.08092	3.1
120.08877	0.6
122.18018	0.5
129.51866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03950	0.9
53.17294	0.7
55.63520	0.6
56.05033	1.8
56.96556	1.4
58.02951	1.4
58.06598	1.5
59.06127	5.6
60.04522	3.0
63.49442	0.6
65.03925	1.4
67.20672	0.6
70.48903	2.5
72.04523	3.5
72.08157	2.6
75.05623	0.7
76.93372	3.7
91.05485	48.4
91.85500	0.7
92.05810	1.4
94.94414	0.9
95.04975	2.5
100.03997	0.9
117.05749	5.3
118.06548	100.0
119.06089	1.8
119.06892	3.0
119.08615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01584	1.4
51.02376	7.5
52.27489	1.1
53.03948	44.8
54.50885	1.0
55.01869	2.4
58.32057	1.1
59.06121	6.9
65.03932	3.7
69.32646	12.5
69.71869	1.1
72.08152	4.2
76.93364	3.8
77.03929	7.4
79.05492	4.3
81.03402	3.7
91.05478	70.5
92.05806	2.0
93.07051	4.5
95.04968	100.0
96.05318	1.7
103.05444	6.0
104.06269	7.8
105.04510	18.7
115.05450	4.0
116.05796	3.6
117.07015	19.3
118.06545	66.5
118.07311	3.4
118.08647	2.8
119.04955	4.3
119.06097	1.6
119.06851	2.7
119.08582	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	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.01574	1.2
51.02372	5.3
53.03947	33.7
55.01870	1.9
56.04978	0.9
58.06603	0.9
62.95032	0.7
65.03946	3.9
70.67392	1.9
72.08146	2.5
75.92431	0.8
76.93367	5.2
77.03540	1.5
77.03934	5.9
79.05496	5.0
81.03435	4.5
85.49358	0.7
90.37383	0.8
91.05481	100.0
92.05807	2.5
93.07034	4.5
94.94380	1.3
95.04970	84.2
96.05306	2.6
103.05470	8.4
104.06240	7.8
105.04516	15.5
115.05476	5.2
116.05791	7.0
117.07021	23.9
118.06554	57.2
118.07347	8.0
119.04971	2.0
119.06086	1.6
119.06848	1.6
119.08583	53.1
121.06487	0.8
129.30939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	3H-Indole
Peak:m/z	Relative Intensity
50.85141	1.1
51.02375	1.7
51.36395	1.0
51.37786	1.0
51.46255	1.0
53.03708	1.4
53.03949	17.2
55.01859	1.3
55.05505	1.8
56.05030	2.0
56.96552	3.1
58.02953	2.8
58.06588	4.3
59.06125	19.5
59.07386	2.3
59.08572	1.1
59.93113	1.1
60.04526	2.0
60.06443	1.8
65.03938	10.6
69.39651	1.4
69.40051	9.3
70.06594	2.2
70.77917	1.1
72.04524	2.9
72.08160	11.4
74.06098	1.3
75.05592	2.9
76.93381	9.6
77.03523	1.6
77.03932	2.4
79.05485	2.2
79.05999	0.9
87.05592	4.7
91.05483	100.0
92.05815	1.2
93.07019	1.5
94.94404	4.8
95.04968	41.5
103.05470	3.8
104.06245	3.4
105.04536	10.0
109.06512	1.2
112.95431	1.8
115.05463	1.5
117.05743	1.4
117.07007	7.2
117.96028	1.6
118.06548	51.6
118.07291	2.0
118.08647	5.6
118.96769	1.7
119.04944	10.5
119.06068	3.9
119.08586	25.2
135.96950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0709
Annotation	L-Proline
Peak:m/z	Relative Intensity
50.25125	0.1
51.25870	0.1
55.01867	0.2
55.05517	0.3
56.05023	0.5
56.96566	0.2
58.06597	0.5
59.05000	0.3
59.06127	1.2
68.05029	0.4
70.06593	100.0
70.29123	0.3
70.29545	0.2
71.06319	0.1
71.06927	1.7
71.07295	0.1
72.08154	0.3
74.06059	0.2
76.07645	0.8
87.09245	0.2
98.06062	0.5
98.09680	0.2
98.97588	0.1
100.07604	0.2
116.07097	8.7
116.10706	0.2
116.98681	0.1
117.07425	0.3
117.10268	1.0
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	Unknow
Peak:m/z	Relative Intensity
50.38155	0.2
55.01862	0.6
55.05514	1.9
56.01393	0.3
56.05038	5.4
56.14740	0.2
56.71465	0.2
56.96566	4.2
57.03433	0.6
57.04560	0.6
57.11154	0.2
57.93567	0.7
58.02967	1.0
58.06599	2.2
59.05002	0.9
59.06127	9.5
60.04530	1.7
68.05028	0.8
69.03431	0.5
69.04538	0.4
69.07069	0.4
69.51114	0.3
69.51521	1.3
70.02962	0.5
70.06593	100.0
71.04992	0.7
71.06120	0.2
71.06925	1.7
71.95251	0.3
72.04512	0.9
72.06866	0.2
72.08160	3.0
73.02914	0.2
74.06091	1.2
74.93829	5.6
75.05605	3.2
75.61693	0.2
76.04012	0.7
76.07640	2.4
80.05029	0.3
81.03411	0.3
81.04591	0.2
81.07060	0.3
84.04506	0.3
85.02912	0.6
86.06074	0.3
87.09234	0.7
88.07646	0.5
89.03912	0.4
92.01265	0.2
92.94872	1.8
97.02296	0.2
98.06049	3.1
98.07144	0.3
98.09687	0.9
98.97583	1.9
99.04430	0.5
99.05564	1.0
100.07619	1.1
110.95909	0.4
115.05506	0.2
115.96429	0.5
116.07098	11.0
116.08192	0.8
116.10719	2.4
116.97259	0.3
116.98619	2.6
117.06549	1.2
117.10262	3.3
117.11092	0.3
133.97450	0.4
134.99663	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	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00323	1.4
53.03932	1.9
54.03476	5.3
55.01867	2.8
55.05518	9.9
56.05034	4.8
57.03442	5.7
57.04547	1.1
57.07078	84.0
58.06612	5.7
58.07397	1.6
60.04524	6.6
65.03944	11.7
67.01857	2.5
67.02958	1.2
67.05508	100.0
68.05036	6.4
68.05833	2.1
69.03426	2.5
69.07059	3.0
69.88831	6.3
70.02941	3.5
70.06596	13.3
71.04998	17.8
71.06104	1.1
71.06909	1.3
71.94101	5.3
72.04504	3.8
72.08143	1.9
72.93789	34.8
73.05309	2.2
74.04823	8.9
79.05486	1.2
83.06117	8.8
84.04543	1.1
85.06548	30.8
85.07664	4.1
85.36962	1.0
86.06066	4.4
87.05591	1.7
90.94830	11.6
95.04971	33.7
95.06048	6.5
96.00851	2.1
96.04485	4.0
96.06879	1.4
96.08121	6.8
97.06451	1.1
107.44437	1.1
108.95854	2.4
113.00059	2.3
113.02372	44.2
113.03484	4.3
113.04662	1.8
113.06007	21.7
113.07141	10.6
113.07881	1.2
113.10783	3.7
113.96405	1.6
114.05537	2.7
114.06619	3.2
114.09165	5.3
114.10292	2.2
131.97447	2.8
132.92810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01904	0.3
53.03951	0.4
54.03470	2.9
55.01876	0.3
55.05506	1.3
56.05025	1.4
56.96288	0.4
56.96565	8.1
57.03433	0.7
58.06594	0.7
65.10300	0.2
66.00487	0.3
67.01852	0.3
67.02988	1.5
67.05511	1.3
67.05814	0.2
68.01390	1.4
68.02647	0.4
68.05033	1.4
69.03432	7.7
69.04553	9.2
69.07063	0.6
69.69172	1.0
70.02953	5.2
70.06592	15.9
70.94257	0.9
70.95862	0.4
70.98125	0.3
71.00793	0.2
71.02477	0.3
71.04985	0.6
71.06178	0.2
71.06931	0.6
71.36887	0.2
71.94100	12.7
71.95262	0.6
72.08142	0.2
74.97608	0.6
75.01048	0.9
81.03433	1.1
81.04540	5.7
82.06572	1.1
83.05647	0.3
83.06115	0.6
84.01563	7.5
84.04507	0.5
84.08142	11.4
84.51741	0.2
85.02897	0.2
85.07664	0.4
86.06061	0.5
88.96887	0.2
88.99163	0.2
89.00781	0.3
89.95140	1.4
93.02081	6.2
94.04048	4.5
94.06561	1.0
95.02451	29.3
95.06086	3.2
95.52344	0.5
96.00882	0.9
96.01492	0.3
96.02786	0.5
96.08125	0.8
100.02454	0.3
107.00191	0.3
107.96124	0.2
112.05090	100.0
112.07600	14.3
112.08805	1.3
112.09554	1.1
112.11236	9.9
112.96724	0.4
113.00025	2.1
113.02363	3.3
113.03490	3.0
113.04704	2.2
113.05421	1.1
113.06026	0.4
113.07136	3.1
113.10761	0.7
113.11520	0.3
118.03476	0.2
123.62846	0.2
130.97771	0.3
131.00174	0.4
134.99661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.03951	2.0
54.03470	0.8
55.01876	3.4
55.05513	12.8
55.93522	0.4
56.04783	0.5
56.05035	4.4
56.96563	1.3
57.03437	0.3
57.05812	0.3
58.06598	0.6
64.70200	0.2
65.03944	3.5
66.03470	0.2
67.01874	0.3
67.02964	0.3
67.05508	5.1
68.05032	7.3
68.05850	0.4
68.99780	0.4
69.03433	6.9
69.04554	1.8
69.07073	2.1
70.02959	1.1
70.04093	0.5
70.06594	58.4
70.94266	1.9
70.95873	0.3
71.06124	1.0
71.06940	0.9
71.07373	8.7
71.59656	0.4
71.60020	0.3
73.55064	0.2
77.03945	0.5
77.93828	0.2
79.05499	1.1
80.05029	0.4
81.03467	0.3
81.04538	0.4
81.07050	1.2
82.05331	1.1
82.06602	1.0
83.04986	6.1
83.06098	4.1
83.08611	2.0
84.04516	1.1
84.08148	7.2
85.07685	1.0
87.50608	0.2
88.00468	1.5
88.95306	0.8
89.00267	0.4
91.05482	5.5
93.03397	1.2
93.04511	0.3
93.07044	6.2
94.02979	0.7
94.06572	12.3
95.04968	4.0
95.06084	2.4
95.06666	0.3
95.06918	0.2
96.05697	1.0
96.06881	9.0
96.67736	0.3
97.01003	3.3
97.02882	0.4
97.04019	0.4
98.00790	0.8
102.75317	0.3
102.75944	0.3
105.04554	0.7
110.07146	1.5
110.87592	0.3
111.04466	14.8
111.05592	7.0
111.08090	20.4
111.09222	100.0
111.96805	0.3
112.04021	1.5
112.04719	0.4
112.05112	0.6
112.06229	0.9
112.07623	7.2
112.08743	7.0
112.09561	2.8
112.11269	0.8
115.96442	1.2
116.97248	0.4
117.95937	0.3
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
53.03934	0.8
54.03477	0.4
55.01859	0.6
55.05505	1.2
56.05035	1.0
56.96301	0.5
56.96568	6.7
57.04557	0.7
58.06596	0.5
67.01829	0.4
67.02982	1.5
67.05497	1.1
68.01379	1.2
68.05045	1.6
69.03439	1.9
69.04177	0.5
69.04553	9.9
69.07067	0.5
70.02956	13.1
70.06597	4.5
70.94251	0.5
71.59084	0.6
71.94102	5.3
71.95291	0.4
73.05296	0.6
81.03419	0.9
81.04532	0.5
83.06109	1.1
84.01549	0.6
84.04515	0.6
84.05655	0.6
84.08144	5.0
88.99152	0.4
89.00776	0.4
89.95136	0.6
94.04058	4.2
94.06587	0.6
95.02455	28.8
95.05006	0.7
95.06084	2.8
96.00867	6.5
96.01480	0.7
96.02817	0.4
96.08128	0.4
97.02897	0.5
97.07696	0.4
110.01319	0.4
112.05093	100.0
112.07602	4.1
112.08717	1.6
112.09496	0.8
112.11240	5.7
113.02386	2.9
113.03493	14.2
113.04689	2.4
113.05427	1.4
113.07089	0.8
113.10764	0.4
118.03516	0.8
128.98602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.9
55.01879	0.9
55.05268	0.9
55.05515	11.5
62.04707	0.5
65.03950	5.4
66.04718	0.7
67.05507	100.0
68.05027	5.2
68.05845	2.6
69.04556	4.0
69.07075	6.3
71.60617	0.8
79.05495	13.9
80.06280	1.1
81.03420	14.1
81.07059	34.5
82.03761	0.7
82.06585	2.4
82.07398	1.1
83.06118	1.0
86.97305	0.5
87.00474	2.3
91.05489	3.0
92.05001	0.9
94.04176	2.8
94.07834	1.3
107.08586	3.8
109.02888	4.3
109.04024	0.6
109.06523	9.4
109.07648	8.0
109.10158	39.4
110.06071	4.4
110.07177	13.1
110.10476	1.6
113.96385	1.1
129.70340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.00330	0.5
53.03947	3.9
54.04271	0.4
55.01849	0.4
55.05513	11.8
65.03940	4.7
67.05505	100.0
68.05031	1.6
68.05848	2.6
69.04556	1.4
69.07066	6.7
69.56197	2.8
79.05495	11.2
80.06275	1.1
81.03426	4.5
81.07059	34.4
82.03737	0.4
82.06585	0.9
82.07386	0.8
83.06120	0.3
85.73912	0.4
87.00480	0.8
91.05482	2.5
94.04180	1.1
94.07832	1.5
95.04948	0.6
96.00984	0.5
105.07034	0.8
107.04929	0.5
107.08575	3.3
109.02885	1.2
109.06519	4.5
109.07665	3.0
109.10157	40.3
110.06007	1.0
110.07182	4.5
110.10491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02373	0.7
53.00307	0.4
53.03947	7.0
55.01873	2.7
55.05511	12.3
56.96626	0.3
65.03940	6.8
66.04732	0.8
67.05505	100.0
67.93552	0.3
68.05032	3.1
68.05845	2.3
69.04569	2.6
69.07068	7.4
70.23010	1.6
79.05494	27.4
79.65247	0.3
80.05047	0.4
80.05866	0.8
80.06284	1.2
81.03421	10.6
81.04499	0.3
81.07056	46.9
82.03712	0.4
82.06576	1.7
82.07383	1.2
83.06094	1.1
85.31786	0.3
87.00463	1.4
91.04958	0.6
91.05484	5.6
92.05009	0.4
93.04536	0.7
94.04192	2.4
94.07828	1.3
95.04977	1.5
105.04569	0.4
105.07018	0.5
107.04952	0.7
107.08595	3.6
109.02876	2.9
109.06519	39.9
109.07587	3.1
109.10156	39.7
110.06033	3.5
110.07144	10.2
110.10476	1.8
111.04399	0.3
113.96384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01605	0.5
51.02380	1.5
52.57344	0.5
53.03943	9.7
55.01864	2.2
55.05497	0.6
63.17342	0.5
65.03938	15.4
66.04278	0.8
67.05497	4.3
70.45072	2.0
76.88358	0.5
77.03917	2.2
79.05489	43.7
80.05011	2.6
80.05827	0.7
81.03404	0.6
91.05476	100.0
92.05767	2.4
92.06320	3.4
95.04357	1.0
95.04961	20.2
103.05479	0.7
105.04517	3.9
105.07024	27.3
106.37891	0.5
107.04949	51.6
107.08585	28.8
108.05384	0.6
108.08884	0.7
109.06513	15.4
119.06055	4.3
124.05152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02174	0.3
51.02380	2.0
53.00303	0.4
53.03945	50.7
54.04278	1.2
55.01864	1.1
55.05520	0.7
56.96563	1.4
58.45666	0.3
65.03950	0.5
67.05505	4.9
70.88038	1.0
79.05486	1.2
81.03416	100.0
81.07047	3.1
82.03761	3.0
82.06571	0.5
83.06084	0.7
88.89066	0.3
91.97594	0.3
94.62200	0.3
109.02880	9.5
109.06511	1.5
109.07638	1.0
109.10143	1.8
110.06031	2.1
125.20221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02379	1.3
53.03945	23.1
54.03454	0.8
54.04284	0.6
55.01865	3.8
55.05512	9.9
56.05027	1.1
63.19038	0.6
65.03935	9.0
67.04227	1.2
67.05503	70.1
68.05032	13.2
68.05822	1.6
68.95275	1.1
69.03413	1.2
69.04549	5.8
69.05819	1.1
69.07067	4.6
71.60941	1.2
79.05492	28.0
79.05958	1.4
80.05008	1.8
80.06274	0.9
81.03415	41.2
81.05763	0.9
81.07054	38.6
82.03730	0.9
82.06577	11.8
82.07359	1.1
82.41951	0.6
83.06102	1.1
84.00326	0.7
87.00472	4.2
91.05480	11.6
92.04992	2.0
93.04523	0.7
94.04190	8.4
94.07828	0.9
95.04953	1.5
107.04932	3.3
107.08585	2.8
109.02880	9.3
109.06513	100.0
109.07642	30.6
109.10150	28.5
110.06034	10.9
110.07150	20.0
110.09657	0.7
110.10464	1.0
111.04446	1.1
113.96404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.3
51.02373	0.3
51.41444	0.2
53.03946	1.8
55.01875	0.6
56.96559	0.5
62.43033	0.2
62.99068	0.2
63.02353	0.4
65.03940	14.0
65.92669	0.2
66.03471	0.3
66.04290	0.3
67.02962	0.3
67.04243	2.7
67.05499	1.8
69.56300	1.6
77.03904	0.4
79.05492	15.0
80.05013	5.8
80.05788	0.3
81.04568	0.5
84.01574	0.5
91.05479	100.0
92.03772	0.2
92.05739	1.5
92.06298	2.8
92.48088	0.2
93.02098	0.2
93.05783	0.4
95.04967	4.3
96.04507	0.2
98.21516	0.4
103.05484	0.6
105.04552	0.6
105.07030	28.7
106.06554	2.1
106.07367	0.7
107.04197	0.3
107.04957	9.4
107.06078	4.0
107.07363	0.8
107.08591	29.9
108.04490	0.7
108.05638	1.4
108.08157	0.5
108.08939	0.7
109.06515	18.4
110.06844	0.4
119.06068	5.4
119.06889	0.4
120.06389	0.3
124.05244	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01582	0.7
51.02379	1.2
53.03948	8.3
55.01863	1.9
55.05515	0.7
65.03941	13.8
67.04245	1.2
67.05505	5.4
71.60384	0.4
74.96385	0.5
77.03944	2.0
79.05493	47.6
80.05019	5.5
80.05813	1.2
81.03422	1.0
91.05479	100.0
92.05795	2.3
92.06317	3.3
92.06761	0.7
93.05766	0.5
95.04967	20.9
103.05455	1.2
105.04527	4.1
105.07030	28.4
106.04192	0.6
106.06562	2.3
106.07288	0.9
107.04956	54.1
107.05997	2.9
107.07398	1.1
107.08591	29.5
108.04482	1.2
108.05552	1.7
108.08168	1.2
108.08875	0.8
109.06516	17.3
119.06080	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	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.5
53.03948	2.1
55.01886	0.6
56.96561	0.5
63.02384	0.2
65.03943	12.8
67.04250	0.5
67.05511	2.3
69.43230	2.0
69.43642	0.6
70.16543	0.2
77.03930	0.4
79.05496	17.3
80.05021	2.2
80.05836	0.4
84.01571	0.3
91.05484	100.0
92.03782	0.2
92.05771	2.0
92.06310	2.2
93.05806	0.4
95.04964	4.2
103.05493	0.8
105.04528	0.7
105.07036	30.0
106.04179	0.3
106.06549	0.5
106.07357	0.8
107.04958	8.5
107.06100	0.9
107.08596	31.3
108.04512	0.5
108.05593	0.4
108.08157	0.6
108.08939	0.9
109.06522	17.9
110.06896	0.4
110.48972	0.3
119.06071	5.9
124.05212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02366	0.5
53.03942	2.8
55.03105	0.6
65.03941	14.9
66.04247	0.6
67.04249	2.1
67.05506	3.9
71.07202	1.1
71.07560	0.6
77.03947	0.5
79.05491	26.6
79.05958	1.3
80.05019	4.6
80.05829	0.6
83.83250	0.4
91.05477	100.0
92.05792	2.1
92.06296	3.0
95.04968	6.0
105.04480	0.9
105.07027	28.0
106.04118	0.5
106.06537	1.4
107.04956	8.4
107.06078	3.7
107.08588	29.8
108.05624	0.7
108.08116	0.6
109.06512	16.8
110.06855	0.7
119.06059	4.4
124.05188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05457	0.8
81.03419	2.4
81.07005	0.5
83.04963	0.3
84.04470	0.3
85.02859	1.0
91.05473	1.5
93.05709	0.3
93.07011	0.6
94.06529	0.6
95.04926	0.7
97.02883	0.7
97.17108	0.3
98.21507	0.7
99.04411	0.4
105.06957	0.6
106.06491	0.4
107.04890	0.7
108.04429	0.5
108.08112	2.2
109.02870	1.4
109.10056	0.3
117.03336	0.6
117.06921	0.4
118.06546	0.4
119.04911	0.6
119.08501	0.4
120.08047	1.1
121.02842	0.3
122.06033	4.1
123.04346	0.3
127.03853	1.1
129.01714	0.3
130.06529	0.3
131.04884	0.4
133.10127	0.5
134.05946	1.0
135.04388	2.0
136.07603	2.8
137.02393	1.4
137.05931	0.9
140.07048	1.7
141.01758	0.9
143.05656	2.0
145.02792	1.0
145.06467	0.3
146.05965	1.2
147.04359	0.8
148.07544	1.3
149.05905	0.4
150.09052	0.6
152.07054	0.7
153.01826	4.5
160.03931	0.7
160.07497	0.7
161.02301	1.0
161.05986	0.4
162.05414	0.4
162.09105	0.4
163.03906	0.3
164.06995	0.7
165.01845	2.5
165.09035	0.3
166.08617	0.5
167.05843	0.3
167.07085	2.0
171.02908	2.2
172.07538	0.4
174.05522	1.5
174.09140	0.7
175.03889	0.6
177.05478	1.5
179.03435	0.3
183.02878	3.6
186.09079	0.5
187.08678	0.3
190.04942	0.4
192.06503	0.4
197.10716	0.6
198.09108	0.3
199.08669	0.6
200.07082	0.4
201.10158	0.6
204.06572	0.7
206.08041	0.4
207.06537	1.5
208.09709	0.7
209.10675	1.1
210.09184	0.4
210.11401	0.8
211.08641	0.8
211.12213	1.0
212.09277	0.3
212.12964	0.7
213.10205	1.2
219.06473	0.4
221.10706	0.9
222.11336	0.7
223.08748	2.1
223.12254	2.3
224.09402	0.8
224.12961	0.9
225.10225	4.5
225.13701	1.4
226.08978	0.4
226.10988	1.2
227.08118	1.0
227.11717	2.3
233.10591	0.4
234.11533	0.6
235.08563	2.0
235.12285	0.7
236.09509	1.3
236.12964	0.5
237.10234	6.6
237.13786	2.0
238.10925	4.0
238.14621	0.5
239.08043	1.0
239.11774	8.5
239.14308	0.5
239.15353	0.4
240.12579	2.3
241.04884	0.9
241.09656	0.9
241.13347	1.3
243.11270	0.7
245.04428	0.4
247.12209	0.5
248.09296	0.5
248.13037	0.4
249.10262	4.2
249.13878	0.6
250.10979	4.9
251.08109	1.3
251.11790	18.7
252.08864	0.4
252.10149	0.4
252.12521	3.5
252.24229	0.3
253.09770	2.1
253.13336	7.7
254.10512	0.6
254.14079	1.2
255.11215	0.5
258.05307	0.6
261.10233	0.7
262.10980	0.9
263.05573	0.4
263.08276	1.1
263.11798	8.0
264.08960	1.2
264.12558	2.8
265.09732	5.5
265.13333	17.3
266.10590	2.6
266.14044	3.4
267.11310	4.3
267.14780	2.1
268.12033	0.9
269.12869	1.2
271.06381	1.4
271.10617	0.3
274.10928	0.3
275.11847	1.3
276.12625	0.5
277.09705	3.4
277.13358	2.2
278.10486	3.1
279.11292	13.7
279.14331	0.5
280.12006	3.5
281.09604	0.6
281.12830	5.2
282.10461	0.3
283.10782	2.7
283.14383	0.8
284.11514	0.6
285.12503	1.6
286.04620	0.5
287.05490	100.0
288.05661	1.5
288.12628	0.3
289.13181	0.4
291.11353	4.4
291.14594	0.6
292.11945	1.5
293.12814	14.2
294.13458	2.2
295.10773	2.1
295.14380	4.4
296.11603	2.1
297.12296	5.7
298.13071	1.3
299.05502	27.5
299.14032	2.6
300.05841	0.3
301.13403	0.6
303.11218	0.5
303.14996	0.3
304.12067	0.4
305.09534	0.5
305.12891	1.3
307.10767	1.9
307.14444	1.0
308.11465	0.4
309.12338	4.6
310.12924	1.5
311.05768	0.4
311.13889	11.2
312.14621	1.1
313.03470	1.2
313.12271	0.6
313.15491	2.4
315.14252	0.7
316.14798	0.4
317.12692	0.9
318.13394	0.4
319.10782	2.5
319.14078	0.6
320.11639	1.0
321.12350	7.8
322.12823	0.5
323.10440	0.4
323.13840	1.4
324.11121	0.3
324.14874	0.5
325.11823	1.3
325.15512	0.7
326.13040	0.4
327.13510	1.6
328.14453	0.4
329.06302	0.5
329.12265	0.5
330.13043	0.5
333.12259	0.5
333.15698	0.3
335.13879	1.1
337.07562	0.5
337.11761	3.1
338.12601	1.1
339.09433	0.5
339.13419	7.4
340.14389	0.8
341.15198	2.5
342.12589	0.5
342.16391	0.7
343.13748	0.5
344.13962	2.0
344.17493	0.7
346.15796	0.4
347.13806	0.7
349.11707	0.5
349.15546	0.5
351.13443	1.2
352.14114	0.5
353.14954	3.1
355.13000	0.3
356.13983	0.8
356.18057	0.5
357.14706	1.4
358.15723	1.7
359.16147	1.0
360.17151	0.7
363.13437	0.9
366.11816	0.3
367.12796	0.5
368.17722	0.4
369.14520	2.6
370.15308	1.2
371.16077	3.5
372.17056	1.6
373.18161	0.4
377.15063	0.6
379.12701	0.7
381.14398	1.7
382.15274	0.5
383.16135	1.3
384.17126	0.8
386.18787	1.5
387.15607	0.7
391.16843	0.5
393.14615	0.7
395.07520	0.5
395.16196	0.9
396.17023	0.9
399.16095	0.9
400.16373	1.6
402.17941	0.5
405.14465	0.7
407.16214	0.5
409.17743	0.7
411.15558	1.6
412.16422	0.5
413.17343	1.5
414.18149	3.2
416.20090	1.7
417.14441	0.6
419.15817	2.1
421.17889	0.6
423.15451	1.6
424.16205	0.6
425.16876	1.0
429.16034	0.6
430.17490	0.4
432.19342	2.3
434.20810	0.9
435.15625	2.2
436.16071	0.6
437.17099	5.6
438.18082	0.3
439.19232	0.5
440.16199	0.5
441.16367	1.7
442.17453	2.9
443.18222	0.7
444.19202	0.4
447.15335	2.6
451.14862	0.7
453.16531	4.2
454.17575	0.7
455.18127	8.1
456.19183	0.5
459.18674	0.4
460.18631	2.3
462.20316	1.4
463.14911	2.6
464.16028	0.5
465.16586	9.1
465.22943	0.6
467.16565	0.4
469.16193	0.9
471.17511	1.2
474.20306	2.1
479.18329	0.6
480.21671	1.5
481.15863	3.0
482.16653	1.4
483.17685	11.5
485.19327	0.5
490.19830	0.5
492.21252	1.5
494.22980	0.7
495.17477	0.9
496.18710	0.5
497.18979	1.7
498.57013	0.3
502.19928	1.2
504.21243	0.5
508.20300	0.4
512.21698	0.4
513.18628	2.4
514.19757	0.9
515.20282	5.7
516.21545	0.4
522.22363	0.8
524.22662	0.3
530.22406	0.4
534.22479	2.2
537.16974	0.3
540.21387	1.3
542.22809	1.5
558.22174	2.5
560.23956	2.9
561.21393	0.3
562.21649	0.7
564.23743	0.5
568.20837	4.1
569.21442	0.6
570.22363	0.7
574.21948	1.1
576.23657	1.5
578.25110	0.8
582.24078	1.0
583.25421	1.5
586.21851	11.2
587.22223	0.8
588.23364	5.8
592.23010	1.0
594.23981	0.6
596.25964	0.9
600.23419	5.8
601.26074	2.8
604.22882	16.3
605.23395	0.7
606.24371	7.9
615.28564	0.5
618.24457	8.5
618.33997	0.6
619.25214	3.0
620.25928	0.8
622.24231	0.7
624.25519	11.7
624.36047	0.6
636.25464	15.5
637.26489	0.8
643.27368	1.1
649.26978	0.4
665.29620	0.5
681.28839	0.5
691.27490	2.1
709.16315	0.6
709.28656	12.1
723.30511	3.6
725.22937	0.4
727.29791	5.1
741.31903	4.9
745.30646	4.8
751.22540	1.6
755.20746	0.6
759.32312	1.0
767.20239	0.7
768.21448	1.0
769.22357	16.3
770.22595	0.4
777.33594	0.8
800.24908	0.5
801.25220	3.8
824.26648	0.4
844.26453	0.4
849.18414	0.3
854.25403	0.8
862.27478	0.6
868.28772	0.6
872.25836	1.2
882.30713	2.1
886.28418	0.5
890.27618	49.0
891.28168	1.3
894.26422	0.6
904.29425	0.5
905.28778	0.4
908.29120	0.6
910.30249	13.9
911.27539	0.3
922.30188	11.8
923.28363	0.3
1013.34479	0.6
1031.35645	5.9
1063.46545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01600	0.9
51.02372	2.0
52.83679	0.6
53.03708	0.8
53.03947	13.3
55.01879	0.7
56.96550	0.8
60.04531	0.9
60.95832	0.6
64.95544	1.5
65.03960	3.4
65.49266	0.5
68.08720	0.5
70.95916	1.6
77.03941	3.3
79.05501	56.4
80.05827	1.4
81.03407	1.0
86.83207	0.5
91.48212	1.4
95.04977	31.6
96.05299	0.6
96.40240	0.5
100.48729	1.2
103.05476	39.3
104.90840	0.9
105.03400	1.1
105.04542	7.2
105.07037	100.0
105.11063	0.8
106.06619	1.2
106.07376	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.2
53.03747	0.9
53.03952	10.5
53.24508	0.8
53.66892	0.8
57.91717	0.9
60.04512	1.2
65.03944	4.8
71.31283	1.5
71.69703	0.8
77.03923	4.0
79.05500	53.3
81.03413	1.4
91.89552	0.9
95.04977	27.9
103.05473	33.3
105.04542	5.1
105.07040	100.0
105.11098	1.0
106.06593	1.1
106.07355	1.9
107.06549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02078	0.3
58.06593	4.8
59.07372	1.5
60.08162	52.2
60.31968	0.4
62.92991	0.5
70.79136	1.0
104.10738	100.0
105.11048	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02384	2.2
53.03747	0.9
53.03952	10.5
53.24508	0.8
53.66892	0.8
57.91717	0.9
60.04512	1.2
65.03944	4.8
71.31283	1.5
71.69703	0.8
77.03923	4.0
79.05500	53.3
81.03413	1.4
91.89552	0.9
95.04977	27.9
103.05473	33.3
105.04542	5.1
105.07040	100.0
105.11098	1.0
106.06593	1.1
106.07355	1.9
107.06549	1.0
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
51.02370	1.9
53.03943	13.0
53.68886	0.9
55.01841	0.9
56.96568	1.5
58.72511	0.8
60.04520	2.6
60.08146	1.0
61.08507	1.2
64.95528	1.5
65.03938	3.0
71.20924	2.1
77.03931	2.2
77.12536	0.9
78.03448	1.1
79.05492	52.0
87.00832	2.2
91.48168	1.1
95.04970	27.0
103.05470	30.9
104.90797	1.1
105.03390	1.2
105.04527	6.9
105.07031	100.0
105.11063	4.6
106.06580	2.1
106.07359	2.4
115.66482	0.8
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
51.02371	2.5
53.03947	24.1
54.44599	0.5
55.01864	0.9
56.05024	2.2
57.03426	0.6
57.05356	2.5
58.06601	2.8
58.76242	0.5
59.06124	3.9
60.02155	3.9
60.04507	1.2
60.05646	1.8
60.08174	3.6
60.17735	0.5
60.95858	0.5
62.06090	6.9
69.03426	1.7
71.03852	1.4
73.02888	0.7
73.07668	1.7
75.04447	0.7
77.03927	4.8
79.94048	0.5
81.03428	2.7
85.07664	1.1
86.06076	5.5
87.04472	3.3
88.01611	1.6
91.10395	0.5
95.04967	53.6
96.05304	0.6
102.04691	6.4
103.04055	2.7
103.05466	100.0
103.08698	11.6
104.05816	2.3
104.10751	7.6
105.04514	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06596	6.0
59.07366	1.7
60.08161	53.8
61.08493	0.4
69.03429	2.5
69.63818	1.6
83.34345	0.2
86.06074	0.7
87.04466	4.0
87.43624	0.2
92.84007	0.2
104.10739	100.0
105.11095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	4.5
73.02909	1.8
79.05492	72.8
81.03408	15.4
81.07054	100.0
83.04978	14.4
83.08622	20.6
85.02895	11.9
85.06534	4.1
91.03952	2.5
91.05478	63.3
93.07042	67.7
95.01351	1.4
95.04965	19.2
95.08601	45.3
97.02899	8.4
97.06529	20.7
97.10162	12.3
98.20795	1.7
99.04433	3.4
99.08084	3.3
103.05470	2.1
103.74269	1.2
105.04517	1.5
105.07031	50.7
107.04957	12.3
107.07858	2.5
107.08591	50.5
108.08805	1.2
108.71931	1.1
109.02879	4.8
109.06507	11.1
109.10146	18.8
111.04430	2.8
111.08103	7.6
113.09668	1.3
115.05450	3.6
116.06165	1.5
117.07016	26.3
117.36533	1.2
119.04922	2.7
119.08576	32.4
121.06525	8.5
121.10137	23.3
123.08048	6.7
123.11692	6.7
125.09612	10.5
127.03916	5.0
128.06224	3.4
129.05467	2.0
129.07014	9.8
130.07722	2.0
131.08566	29.2
131.57378	1.2
133.06480	3.7
133.10130	33.3
135.08078	8.5
135.11691	22.3
136.57005	1.2
137.09608	3.6
139.11197	1.7
141.06978	3.8
141.09119	1.3
143.08551	10.3
144.09268	1.6
145.04991	2.3
145.06450	3.9
145.10117	27.1
147.07983	3.4
147.11661	18.0
149.09613	20.7
149.13257	14.7
151.11191	4.4
153.07014	1.4
153.09094	1.4
155.08531	6.7
157.10114	8.2
159.08041	1.8
159.11684	21.3
161.09633	3.2
161.13264	7.2
163.11183	14.2
165.09091	1.4
165.12746	3.5
167.08606	1.6
169.10127	7.4
171.10329	1.6
171.11644	7.7
173.04417	4.1
173.11852	2.2
173.13243	8.3
175.11247	3.8
175.14870	1.9
177.12709	8.5
179.14299	3.5
181.10103	1.4
181.12195	2.4
183.11650	5.0
185.13297	3.9
187.14780	3.0
189.11266	7.0
191.14278	2.3
195.11823	2.6
195.13800	8.8
197.13278	3.7
199.14809	3.6
201.12744	1.6
211.14867	3.4
213.14751	2.0
215.14218	1.5
227.12737	15.1
229.14297	2.2
229.19583	4.2
235.14888	1.6
239.17947	4.9
247.20586	2.9
251.16441	2.1
253.18047	2.5
255.15811	12.5
257.18958	14.8
259.20572	3.6
267.15945	4.5
269.14520	1.9
269.17462	49.9
275.20062	57.3
276.20224	1.4
277.21680	1.4
293.17990	1.5
293.20981	6.7
303.16046	1.6
321.24210	1.8
331.22604	3.4
337.21402	1.6
349.23734	52.9
350.82773	1.3
367.24725	12.7
413.21545	3.2
423.27408	3.8
431.27783	1.5
435.27216	3.7
439.26514	1.7
445.29684	3.6
449.29022	23.8
451.32028	2.5
463.30554	42.1
469.33087	1.9
503.33527	1.9
515.37201	3.0
519.33063	2.4
525.35767	8.3
527.37128	2.9
529.35370	12.5
531.36511	1.4
541.35199	1.4
543.36810	74.1
561.37933	9.1
574.56171	1.4
607.34259	3.7
623.43146	17.9
641.44031	11.9
659.44873	6.0
687.40643	4.4
705.41333	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	1018.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	4.9
71.08616	1.2
71.60944	2.3
72.18829	1.1
73.02908	3.1
77.03920	1.8
79.05492	76.9
81.03414	20.2
81.07056	100.0
82.07387	1.4
83.04984	14.2
83.08137	1.7
83.08620	26.0
85.02904	12.7
85.06538	6.5
86.09708	1.1
91.03937	3.9
91.05478	68.6
93.07040	70.0
95.04369	1.4
95.04969	21.0
95.08606	47.9
97.02895	11.1
97.06533	23.2
97.10165	20.9
99.04457	2.8
99.08086	4.9
103.03923	2.1
103.05466	1.7
105.03334	1.2
105.04481	1.9
105.07027	56.9
107.04957	13.3
107.08591	64.0
109.02869	3.8
109.06525	12.8
109.10155	22.2
111.04425	2.1
111.08077	7.3
113.06023	1.3
113.09649	2.4
113.80063	1.3
115.05450	4.9
117.07020	27.1
117.91247	1.2
119.04919	1.5
119.08576	40.0
121.06509	8.0
121.10130	25.1
123.04428	2.1
123.08051	6.0
123.11712	8.2
125.09627	17.9
126.64204	1.1
127.03938	6.7
128.06242	2.9
129.05457	2.3
129.06987	10.9
130.07816	2.0
131.04865	1.5
131.08565	35.1
131.64944	1.1
133.06480	3.8
133.10126	40.1
134.10449	1.4
135.08044	10.4
135.11682	22.9
137.06000	1.4
137.09592	5.0
137.13271	1.9
139.11194	2.8
141.06969	4.7
142.07759	2.0
143.08536	10.2
143.10602	1.6
143.18968	1.1
144.09373	1.5
144.71640	1.1
145.04913	2.9
145.06528	2.3
145.09033	2.4
145.10127	34.8
145.77324	1.3
147.08002	3.0
147.11671	21.2
149.09602	25.7
149.13252	13.8
151.11169	4.6
153.06952	1.2
153.09047	2.6
154.07767	1.3
155.08556	6.4
157.06477	1.1
157.10135	9.9
159.07996	2.5
159.11690	23.7
161.09634	3.5
161.13243	9.6
163.11166	16.8
163.14929	2.1
165.07016	1.3
165.09050	1.6
165.12735	2.9
167.08540	2.8
169.10089	7.5
171.10234	2.3
171.11684	8.4
173.04457	5.2
173.09625	2.1
173.13246	12.1
175.11205	4.9
175.14874	2.4
177.12756	7.4
177.93686	1.1
179.14336	4.7
181.10138	2.5
181.12297	2.8
183.11638	7.5
184.52336	1.3
185.09651	1.5
185.13257	6.8
187.11136	2.9
187.14803	3.5
189.11240	12.2
189.12759	1.8
191.10658	1.6
191.14290	1.4
193.71002	1.1
195.11768	2.1
195.13779	6.7
197.13208	6.1
199.14876	2.8
201.09099	1.1
201.12755	1.7
201.16391	1.5
209.13167	2.5
211.11345	1.3
211.14812	2.9
213.12799	1.4
213.16504	1.8
215.14299	1.4
215.17764	1.4
217.15935	1.8
221.13339	1.6
227.12750	28.2
227.14883	2.1
229.14240	6.4
229.19525	4.3
233.15329	2.3
235.16907	1.5
237.16521	1.4
239.17932	7.8
241.19577	1.3
245.13777	3.5
247.20471	5.6
253.14255	2.1
253.17970	3.1
255.15837	14.8
257.18973	24.1
259.20645	1.3
267.15939	5.2
269.17465	47.1
273.18506	2.1
275.20062	85.5
291.19522	2.0
293.17941	2.1
293.21042	10.3
303.16043	1.3
313.21561	2.7
331.22620	6.6
346.38580	1.3
349.23730	77.1
350.24127	2.1
351.25378	1.4
365.24057	1.2
367.24820	7.9
383.22150	1.8
383.99725	1.3
389.18054	1.7
395.20731	1.6
395.29517	1.3
409.25864	1.6
413.21701	3.3
415.29623	1.5
423.27289	3.8
425.25275	1.3
431.27716	3.1
433.30566	2.5
435.26782	2.2
439.26825	1.4
445.29413	5.1
447.31137	2.2
449.29037	17.5
451.31934	1.8
463.30585	28.2
469.33026	2.2
503.33804	6.5
511.34671	2.7
515.29517	1.7
515.37427	2.4
518.24878	1.5
519.33636	5.7
525.35876	10.4
527.37073	3.3
529.35175	18.6
543.36810	83.1
547.36230	4.4
561.37830	12.2
572.36169	1.2
605.41614	4.5
607.34320	4.8
623.43030	30.6
641.44019	13.2
659.44293	1.8
669.39520	1.8
687.40729	3.7
705.41992	1.6
785.47101	1.8
1018.58148	1.5
1019.50415	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01362	1.3
71.04987	4.8
73.02912	5.1
77.03917	1.6
78.54929	1.2
79.05493	80.1
81.03423	17.3
81.07056	100.0
83.04987	17.3
83.08620	13.8
85.02906	22.9
85.06532	4.6
91.03954	9.0
91.05480	92.9
93.07041	84.7
95.04973	24.0
95.08605	56.6
95.94367	1.4
97.02888	19.4
97.06532	14.1
97.10162	8.1
98.09694	2.6
98.20746	2.0
99.04444	4.1
99.08093	6.4
101.02390	1.5
103.03997	1.9
103.04754	1.1
103.05462	3.9
104.06275	1.5
105.04521	2.9
105.07028	75.2
107.04965	9.0
107.08590	42.9
109.02887	4.9
109.06516	10.1
109.10152	21.1
111.04433	3.1
111.08101	7.5
113.09668	1.7
115.05418	6.3
116.06223	1.8
117.07008	39.1
119.08578	58.1
121.06501	4.1
121.10138	28.1
123.08037	7.3
123.11744	6.7
125.09645	3.2
127.03908	8.5
127.07529	2.0
128.06189	6.8
129.05475	4.3
129.07004	24.2
130.07765	3.1
131.07581	2.5
131.08572	47.6
133.06494	2.6
133.10132	44.3
135.08080	5.7
135.11693	18.3
137.09607	4.4
137.13312	1.4
139.11153	2.1
141.06992	7.0
142.07803	5.0
143.08565	21.0
144.09331	1.9
145.04955	6.2
145.06500	2.8
145.10120	39.7
147.08075	3.0
147.11688	30.9
149.09605	10.1
149.13254	13.9
151.11182	2.2
153.07042	1.6
155.08551	12.2
156.09344	2.8
157.06485	1.2
157.10135	21.6
159.08090	2.2
159.10442	2.5
159.11694	31.2
161.09680	5.7
161.13268	19.0
163.11177	8.1
163.14841	3.0
165.06984	2.1
165.12784	2.5
167.08594	5.0
167.14334	1.3
168.09341	2.3
169.10124	14.3
170.10930	1.7
171.11681	17.6
173.04498	2.4
173.09683	2.5
173.13257	15.1
175.11165	3.3
175.14812	4.7
177.12801	4.5
177.16290	1.2
179.08531	2.8
179.14326	4.6
181.10115	6.6
182.10976	1.6
183.11676	11.3
185.13275	14.1
187.11197	2.5
187.14833	5.1
189.12740	2.8
189.16379	2.6
191.14464	1.6
193.10086	3.4
195.11684	6.2
195.13792	4.3
197.13248	11.5
199.11276	1.2
199.14819	7.9
201.12708	1.6
201.16441	1.9
203.14363	1.9
207.11685	3.2
207.13579	2.5
209.13274	4.5
211.14825	6.5
213.12682	1.5
213.16402	4.8
215.14323	1.7
217.15807	2.0
219.13783	1.5
221.13315	3.1
223.14842	4.3
225.16400	4.3
227.12778	1.8
227.18132	1.6
229.14088	1.7
229.19531	1.6
231.21066	1.9
235.14838	2.9
235.17012	1.3
237.16397	3.2
239.17993	4.8
241.19608	8.2
245.18903	1.4
247.20540	1.5
249.90059	1.1
251.18007	2.0
257.18958	6.8
259.20578	21.5
261.22122	2.3
265.19443	1.4
267.16129	2.9
267.21198	1.4
269.17389	15.6
271.20654	1.4
275.20145	11.5
281.17529	3.9
297.22110	2.4
301.21713	1.7
303.15814	1.4
309.21857	1.6
311.23666	2.8
313.21729	2.4
315.23166	2.9
323.23785	2.0
325.21664	1.3
333.24234	18.3
335.26025	3.4
337.25095	1.5
341.24750	1.6
347.22092	1.4
349.23581	8.4
353.24689	1.4
355.26093	1.7
367.26349	2.0
389.28256	1.5
409.31192	1.5
435.32263	3.8
453.33401	1.6
463.30716	2.4
471.35068	1.7
503.37659	1.5
513.35596	3.4
515.37671	2.1
517.40240	2.5
527.37213	13.9
528.37683	1.8
535.41235	1.9
539.37573	1.4
545.37994	2.5
591.44073	2.3
607.43280	4.7
609.45117	37.8
610.45459	1.9
625.44305	5.7
725.66077	1.3
830.72461	1.4
912.83459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05005	5.5
71.08630	2.3
71.60243	4.3
73.02924	5.1
79.05492	82.4
80.05830	4.0
81.03416	17.7
81.07058	100.0
83.04974	16.5
83.08622	16.9
85.02909	16.1
85.06541	6.1
91.03947	6.7
91.04893	4.2
91.05476	86.9
92.05804	2.8
93.07041	81.2
94.07381	3.7
95.04973	24.9
95.08604	58.1
97.02871	13.7
97.06521	19.4
97.10155	14.0
99.08081	2.7
103.05490	3.8
105.07030	77.8
107.04969	12.4
107.08596	51.2
109.02834	4.4
109.06519	11.3
109.10149	30.1
109.72172	2.4
111.04442	3.2
111.08089	8.3
115.05415	3.7
117.07012	33.5
119.08582	56.2
121.06508	8.1
121.10158	31.1
123.04492	2.4
123.08042	5.5
123.11705	7.2
125.09653	12.6
127.03933	8.6
128.06215	6.1
129.05521	2.9
129.07021	19.8
130.07831	2.7
131.08563	43.5
133.06555	3.4
133.10133	64.1
133.11084	4.5
135.08070	8.2
135.11662	24.2
137.09630	7.0
139.11182	2.5
141.07013	8.4
142.07777	3.3
143.08539	17.0
145.04936	4.0
145.06491	3.6
145.10136	38.2
147.08008	5.4
147.11694	36.7
149.09616	22.6
149.13263	16.7
151.11176	10.0
152.05685	4.2
155.08543	10.9
157.10118	19.0
159.08052	3.0
159.11705	25.5
161.09645	6.8
161.13281	13.3
163.11168	12.0
165.12743	3.5
169.10133	11.2
171.10339	2.6
171.11641	13.7
173.04468	5.6
173.09712	2.6
173.11804	5.4
173.13280	15.4
175.11201	4.5
175.14828	4.8
177.12782	7.4
179.14339	5.9
181.10158	7.5
183.11671	9.8
185.11790	2.5
185.13266	10.8
187.14885	5.5
189.11252	9.2
189.16235	2.5
195.11809	5.2
195.13802	6.9
197.13284	7.7
199.14857	9.5
201.12888	3.7
207.11751	4.4
209.13287	3.7
211.14883	4.5
213.16550	3.3
219.17307	2.5
219.76967	2.7
227.12735	19.1
229.14297	6.5
229.19525	4.2
239.17970	4.5
241.19553	7.7
253.14357	11.1
254.14651	5.7
255.15781	5.5
257.18948	16.0
259.20624	17.4
267.15976	3.4
269.17480	27.1
273.18555	8.4
275.20068	43.9
276.20499	3.1
291.19525	7.1
292.19897	3.6
293.20880	3.5
315.23224	3.5
327.23120	4.0
331.22882	4.0
333.24146	23.4
335.25604	3.7
349.23782	31.5
365.15704	3.0
365.23285	7.7
366.23605	2.9
425.99567	2.6
449.29166	5.4
463.30621	9.8
495.34906	3.7
511.17596	2.6
513.35895	22.0
515.38263	5.2
525.35577	3.5
527.37335	18.3
529.34912	4.0
533.40198	2.5
543.36786	17.5
547.35095	3.1
555.36536	2.6
560.36786	3.3
561.36920	4.6
589.40680	2.6
607.43616	24.6
623.42749	6.1
625.44653	27.2
641.43427	6.0
880.04724	2.8
892.60663	2.7
950.97467	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	1016.579
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04404	1.5
71.04981	4.9
73.02899	1.5
79.05489	48.4
81.03416	12.9
81.07057	59.8
83.04975	10.0
83.08616	13.3
85.02892	5.6
85.06531	3.1
91.03906	1.6
91.05477	46.4
93.07041	46.3
95.04964	16.9
95.08605	27.0
97.02888	13.4
97.06533	9.5
97.10172	11.9
98.21466	2.0
99.04449	2.2
103.05458	2.2
105.06406	0.9
105.07027	27.3
107.04953	12.6
107.08591	33.4
109.02880	1.7
109.06512	8.0
109.10167	18.2
111.04422	2.1
111.08072	3.9
115.05457	2.5
117.07015	14.2
119.08571	21.2
121.06534	6.8
121.10156	13.1
123.04397	1.7
123.08071	5.7
123.11681	3.2
125.09628	11.4
127.03899	2.3
128.06180	1.7
129.07024	7.4
130.07753	1.7
131.08565	21.4
133.06476	6.6
133.10129	27.8
135.08052	4.6
135.11662	9.5
137.09593	3.7
139.07515	1.7
142.07713	1.4
143.08559	7.7
145.10106	13.7
145.11154	1.7
147.08038	6.8
147.11668	7.6
149.09601	10.8
149.13266	7.7
151.11172	6.7
152.05658	5.6
157.10139	4.8
159.08040	2.7
159.11670	13.1
161.09625	5.1
161.13271	2.9
163.11154	6.1
165.09102	3.1
169.10080	3.0
171.11713	2.8
173.04486	1.5
173.13263	4.9
175.11137	3.2
177.12796	3.6
178.72902	1.3
181.12267	1.8
183.11719	1.8
185.09637	1.5
185.13292	2.0
187.11151	2.1
189.11203	5.8
189.12767	1.5
195.13789	5.2
205.12199	2.7
223.13275	17.4
227.12756	10.7
239.17949	1.9
245.19006	2.7
249.14886	4.0
253.14360	9.2
255.15955	5.5
257.18939	5.7
263.20218	1.5
267.15900	3.1
269.17484	30.5
273.18478	21.2
275.20007	20.6
291.19537	100.0
292.19873	2.6
309.20767	1.9
347.22214	5.0
349.23718	15.6
365.23245	51.4
366.23691	1.5
367.24786	2.5
374.76352	1.3
413.21902	1.7
461.28671	2.2
462.28564	1.3
519.33075	2.5
527.33954	1.6
541.35358	6.3
545.34760	21.7
559.36285	95.4
560.36469	3.7
580.18628	1.6
611.42773	2.1
621.41132	4.1
639.42596	27.6
657.43121	5.1
703.40167	4.8
847.90259	1.4
926.14185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.579
Annotation	Unknow
Peak:m/z	Relative Intensity
71.85089	0.7
73.02900	1.1
79.05490	41.2
81.03421	11.0
81.07058	46.0
83.04979	7.5
83.08617	14.4
85.02901	5.2
85.06566	2.0
91.03965	2.0
91.05474	35.3
93.07044	38.5
95.01351	0.9
95.04980	16.2
95.08603	22.6
97.02897	12.5
97.06527	10.9
97.10168	16.0
99.04456	1.9
99.08097	1.0
101.06014	0.9
103.05476	2.7
105.04540	1.1
105.07030	33.1
107.04953	12.7
107.08591	27.1
109.02886	1.7
109.06521	6.6
109.10155	11.5
111.04441	2.3
111.08092	4.1
113.05970	0.9
115.05458	2.9
117.07020	14.5
119.04944	2.0
119.08576	22.0
120.11147	1.0
121.06528	4.8
121.10147	12.7
123.04401	1.1
123.08112	4.4
123.11727	2.2
125.09619	11.4
127.03927	2.3
128.06204	2.5
129.06999	6.1
130.07802	1.7
131.04973	0.9
131.08556	18.1
133.06491	5.3
133.10126	16.1
134.07283	1.2
135.08072	5.3
135.11668	7.0
136.89897	0.8
137.09621	4.6
139.11237	1.2
141.06964	1.8
142.07761	1.2
143.08563	7.1
143.10732	0.9
144.09315	0.9
145.06477	2.4
145.10120	13.3
147.08049	7.6
147.11671	7.9
149.09607	9.7
149.13258	4.9
151.11188	2.6
153.09102	2.2
155.08549	2.1
157.10109	4.4
159.08051	1.8
159.11696	9.0
161.09621	4.2
161.13246	2.7
163.11154	6.1
165.09105	2.9
169.10159	2.9
171.11676	4.5
173.04451	2.0
173.09587	1.3
173.11870	1.4
173.13283	3.2
175.11194	3.7
177.12788	2.6
179.10603	1.1
179.14336	1.5
183.11768	1.7
185.13246	2.6
187.11232	1.6
189.11230	7.4
189.12727	1.9
195.12027	0.9
195.13788	3.9
197.13330	1.1
205.12282	2.6
223.13261	17.2
227.12782	21.2
229.14262	1.2
229.19525	1.4
231.17601	1.0
233.15433	1.0
239.18034	1.9
245.19113	2.0
247.20450	1.0
249.14912	3.4
253.14357	2.2
255.15968	3.6
257.18991	7.7
263.20334	1.0
267.15936	2.1
269.17462	13.7
273.18469	16.0
273.21228	1.3
275.20065	25.6
275.92798	1.0
279.15942	1.2
283.15601	1.1
287.05557	1.3
291.19531	100.0
292.19888	2.0
293.21017	2.0
309.20715	1.5
315.23364	1.4
331.22638	2.2
347.22302	2.3
349.23718	25.4
365.23221	49.4
367.24768	2.8
413.21677	1.8
447.27307	1.1
461.28983	2.0
519.33362	2.9
535.32764	4.5
541.35339	5.0
543.36700	1.9
545.34778	15.0
559.36285	57.6
560.36542	2.2
577.51428	0.8
599.38702	1.0
611.42645	1.6
621.41223	2.5
639.42493	50.2
640.42456	1.8
657.43774	4.2
703.40265	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73994	2.3
72.69714	0.7
79.05499	5.4
81.03428	5.4
81.07037	3.3
83.04975	1.4
85.02898	3.6
87.04486	0.8
89.03929	0.8
91.05479	8.2
93.07043	5.4
94.06561	4.1
95.04971	2.4
95.08614	3.4
97.02893	2.4
97.06557	1.1
99.04456	0.8
103.03894	0.8
103.05479	0.7
105.07050	4.5
106.06574	1.0
107.04967	1.8
107.08602	9.3
108.08137	3.8
109.02862	3.5
109.06508	1.8
109.10185	3.4
110.07259	0.7
111.04460	0.7
117.03389	0.9
118.06543	0.8
119.04967	2.2
119.08584	2.6
120.04447	1.1
120.08111	2.5
121.06483	0.9
121.10166	3.4
122.06030	10.6
123.04411	1.7
123.08099	1.5
124.07578	0.8
125.09622	0.7
127.03899	3.9
128.06172	0.7
129.07034	0.8
131.04991	1.0
131.07430	0.7
131.08586	2.1
132.08099	1.0
133.10159	1.1
134.06027	3.7
134.09674	0.7
135.08067	2.0
135.11693	1.0
136.07573	8.6
136.08406	0.8
137.02342	0.7
137.06009	3.4
137.09668	1.6
138.09113	0.9
140.07083	3.1
143.05653	8.6
143.08557	0.8
145.02905	2.6
145.04988	1.0
145.06387	0.7
145.10126	1.8
146.06050	2.9
147.04425	3.1
147.11694	0.8
148.07570	4.9
149.09679	1.7
149.13258	1.1
151.11160	0.8
152.07104	1.2
159.11678	0.8
162.09125	0.8
163.03932	1.0
163.14856	1.1
164.07086	1.7
166.08699	2.2
167.07054	7.5
172.03947	0.9
172.07578	1.3
174.05548	3.1
174.09190	1.6
175.03944	2.3
176.07126	1.0
177.05482	5.6
181.04964	0.8
181.08704	0.7
184.09969	0.8
188.07019	1.1
190.05064	1.9
191.14510	1.0
192.06660	1.1
198.09152	0.9
199.08690	1.0
201.05522	0.8
204.06555	2.3
206.08127	1.5
207.06543	5.2
208.06903	1.2
209.10857	1.3
210.11520	1.1
211.08617	1.9
211.12343	1.9
212.13116	0.8
213.10284	1.8
214.08784	0.9
216.10373	0.8
221.07146	0.8
221.10759	0.9
222.11414	1.4
223.08752	5.8
223.12189	4.0
224.09317	2.0
224.13084	1.4
225.10233	14.5
225.13927	2.8
226.10968	2.6
226.14732	0.7
227.08282	1.8
227.11813	5.7
232.09785	0.8
234.11400	0.9
235.08652	4.5
235.12318	2.1
236.09314	4.5
236.13101	1.5
237.10228	13.4
237.13821	4.3
238.10960	10.7
238.14659	1.2
239.08218	1.0
239.11810	19.3
239.15536	0.9
240.12572	5.7
241.13400	3.2
247.12485	1.3
248.09421	1.6
249.10199	10.1
249.13913	1.4
250.10950	13.1
251.08188	5.2
251.11806	46.8
252.08815	1.2
252.09755	0.8
252.12523	8.3
253.09798	3.0
253.13388	14.8
254.14192	2.6
255.15097	0.7
261.10187	1.1
262.11081	2.2
263.08777	1.0
263.11798	24.6
264.09299	3.3
264.12543	8.1
265.09848	10.1
265.13437	51.5
266.10663	6.1
266.14050	7.2
267.11417	7.1
267.14673	5.2
268.12115	2.2
269.12872	2.4
275.11694	1.5
276.10052	0.8
276.12662	0.9
277.09796	5.5
277.13437	3.7
278.10410	7.9
278.14249	0.7
279.11301	33.0
280.12106	7.0
281.09592	1.5
281.12830	11.2
282.13779	0.9
283.10825	6.9
283.14429	1.9
284.11606	2.9
285.12421	2.7
287.05566	3.7
289.09702	1.0
289.13220	1.6
291.11328	13.5
291.14481	1.4
292.12018	3.6
293.09500	1.2
293.12823	29.0
294.13608	4.6
295.10858	5.7
295.14468	11.3
296.11667	3.1
297.12326	12.1
298.13190	3.5
299.13919	6.6
301.13226	1.1
302.14389	0.9
303.11276	1.5
303.14755	0.8
305.09482	1.5
305.12881	2.5
307.10818	3.3
307.14560	1.9
309.12354	13.4
310.13123	4.9
311.13895	36.3
312.14709	3.1
313.15634	7.4
319.10831	7.5
319.14166	1.4
320.11655	1.7
321.12344	16.8
322.13046	1.1
323.10529	1.1
323.13797	4.1
324.14874	1.1
325.11896	1.4
325.15524	2.7
328.15213	1.0
333.12418	1.9
335.13922	1.9
337.11722	6.0
337.15274	1.4
338.12619	2.8
339.13449	13.3
340.14221	1.5
341.15149	2.4
342.16241	1.3
343.13690	0.8
344.14001	3.3
344.17386	1.2
346.15543	1.3
347.13876	1.1
349.15588	0.9
351.13419	4.3
352.14261	2.2
353.15015	14.2
354.16205	1.8
355.16620	2.6
356.13959	1.1
357.14929	2.2
358.15594	2.6
359.16171	1.3
360.17191	1.1
361.15375	1.2
363.13287	1.1
365.15189	1.0
367.12411	2.2
367.16803	0.8
369.14438	7.8
370.15472	2.4
371.16068	16.9
372.17123	4.6
373.17993	1.1
374.18735	1.2
377.15326	1.4
381.14417	4.6
382.15436	1.6
383.16037	3.8
386.18939	3.4
387.16196	1.0
395.16165	2.8
396.17288	1.2
398.14789	1.1
399.15790	1.9
400.16605	4.2
401.17081	1.4
405.14462	1.5
406.71329	0.8
407.15991	1.6
411.15253	5.7
412.16336	1.6
413.17142	9.8
414.18140	9.3
415.17474	0.9
416.20065	4.9
418.16800	0.9
419.16333	2.5
421.17590	1.7
423.15536	2.9
425.17313	1.2
427.18808	1.3
430.17630	1.6
431.18146	1.0
432.19098	5.8
434.21146	1.2
435.15491	3.7
436.16302	1.5
437.17072	6.8
439.18860	2.6
440.15784	1.4
441.16519	5.7
442.17761	4.8
443.18088	2.0
444.19122	0.9
445.14401	0.9
446.15155	0.9
447.15634	2.4
453.16678	5.6
454.17477	2.1
455.18204	11.3
456.18890	0.9
457.19730	1.2
458.17487	1.0
459.17892	1.0
460.18695	3.1
461.17477	0.8
462.19858	1.0
463.15048	3.9
464.15753	1.6
465.16602	11.8
466.17337	0.9
471.17752	2.7
473.19366	5.2
474.20334	10.0
477.17062	0.9
479.18320	2.0
481.16055	8.9
482.16745	3.4
483.17722	17.2
484.17853	1.4
485.19205	1.2
491.20062	1.0
492.21103	4.4
494.22800	2.2
495.17996	2.3
497.19193	7.1
499.16687	3.7
501.18616	3.8
502.19940	2.0
504.21405	0.8
513.18628	15.1
514.19653	2.9
515.20294	31.1
516.20959	2.0
522.21259	1.1
530.23370	1.2
531.20123	1.8
533.21655	1.3
534.22351	15.6
534.29883	1.2
540.21161	4.0
542.22974	3.1
544.20483	0.8
545.22534	0.9
558.22400	4.8
560.24127	3.7
562.21869	1.4
568.20758	5.0
570.22522	0.9
576.23413	4.9
578.24762	1.2
583.25537	1.7
586.21832	17.1
587.22198	1.3
588.23303	5.9
594.24359	2.2
600.13794	1.7
600.23444	33.4
601.24152	7.3
602.24780	3.0
604.22882	21.2
605.23590	1.0
606.24384	6.9
615.28082	1.5
618.24469	42.6
619.25311	14.0
620.26105	6.4
622.23987	2.4
623.24146	1.1
624.25775	4.9
636.25513	100.0
637.26135	7.0
638.27020	2.7
643.28094	1.3
654.26678	5.1
655.27979	3.5
656.27692	2.7
675.30182	5.4
681.29254	1.6
691.27313	3.8
709.28314	13.9
723.30280	21.6
727.29584	7.6
739.34058	2.5
741.31219	45.0
742.31799	1.4
745.30811	7.4
759.32361	9.2
777.20264	1.0
777.33490	18.2
794.36182	1.1
812.37164	2.2
826.39148	1.3
830.38593	54.7
831.38898	3.4
844.39801	2.6
848.40033	1.9
850.40991	1.4
862.41156	29.1
971.45813	2.8
1003.35687	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5995
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	9.2
73.02898	4.7
73.51904	2.0
77.03916	2.0
78.64622	2.0
79.05493	90.7
81.03429	11.8
81.07058	90.2
83.04981	13.4
83.08623	15.3
85.02909	21.6
85.06538	5.4
91.03951	9.5
91.05480	100.0
93.07043	92.6
95.04955	19.6
95.08608	66.0
96.08918	2.6
96.65582	2.1
97.02882	13.8
97.06528	8.5
97.10155	8.2
98.21485	6.6
99.04459	6.0
99.08098	4.6
99.92691	2.1
103.05476	5.3
105.07030	86.9
107.04942	6.1
107.08595	49.2
109.06509	9.0
109.10153	27.4
111.08088	6.8
115.05444	7.2
117.07014	41.5
119.08576	63.0
121.06470	3.5
121.10143	34.5
123.08082	9.8
123.11686	6.8
125.09635	6.2
127.03915	8.4
128.06216	11.7
129.05479	6.8
129.07001	34.2
130.07800	5.1
131.08566	58.7
133.06483	2.4
133.10123	54.2
135.08072	6.6
135.11687	20.7
137.09624	5.5
141.06993	11.0
142.07750	7.7
143.08563	29.5
145.04951	9.2
145.06474	4.1
145.10123	41.8
147.08014	3.2
147.11682	32.9
149.09622	6.3
149.13271	14.1
151.11221	3.1
154.07671	3.1
155.08522	20.7
156.09393	2.7
157.10129	27.7
159.08054	2.9
159.11691	35.1
161.09637	4.7
161.13245	18.8
163.05994	5.2
163.11172	5.5
163.14809	4.1
167.08574	6.0
169.10114	22.8
171.11694	28.3
173.04514	2.7
173.09639	3.9
173.13213	15.8
175.14838	7.1
177.12772	4.9
179.08572	5.7
181.10130	11.5
182.11031	2.2
183.11684	19.2
185.13309	15.6
187.11125	2.6
187.14819	7.8
189.12772	2.8
189.16338	2.9
193.10178	4.2
195.11670	10.7
195.13820	4.1
197.13258	17.5
199.14806	9.7
203.14354	2.3
207.11707	4.6
209.13260	8.8
211.14838	7.0
213.16354	9.7
215.17982	3.5
221.13350	5.5
223.14755	6.6
225.16417	5.2
227.12686	3.7
227.17889	4.1
229.14328	2.8
229.56636	2.7
237.12718	2.6
237.16415	3.8
239.17940	5.3
241.19582	12.8
241.62704	2.1
251.17854	3.7
257.19003	9.0
259.20563	29.9
261.22144	3.4
267.15964	3.6
269.17294	12.3
273.18655	3.1
273.21948	2.8
275.20099	9.1
297.22031	4.6
307.87897	2.2
315.23093	6.9
321.22058	2.5
327.22913	3.4
329.24667	2.4
333.24295	24.1
335.26141	11.7
337.21494	3.2
339.23175	3.0
349.23895	7.1
367.22510	3.0
381.27219	2.4
435.32431	4.9
487.34396	2.9
501.35999	2.5
509.36566	2.4
513.35492	8.5
515.37756	2.8
517.39996	6.9
527.37457	27.5
533.39075	2.8
535.40784	2.6
591.43817	6.3
607.43433	11.3
609.45093	76.2
610.45654	4.1
625.44788	11.8
643.44745	3.0
707.97498	2.5
735.47577	2.6
771.50055	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	1002.5998
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66647	5.1
70.66975	2.6
71.04999	4.2
73.02919	5.7
79.05494	86.4
79.05964	4.2
81.03423	12.0
81.07056	100.0
83.04986	10.9
83.08613	17.1
85.02908	18.0
85.06538	3.5
91.03954	8.7
91.05481	70.9
93.07044	97.6
94.55310	2.6
95.04978	20.1
95.08607	79.1
97.02894	13.7
97.06522	18.5
97.10162	12.3
99.08101	3.1
103.05476	3.1
105.07036	48.3
107.04952	13.1
107.08600	50.6
109.02853	3.1
109.06537	4.0
109.09475	1.7
109.10156	44.6
111.04417	2.6
111.08083	4.4
117.07016	19.6
119.08585	46.0
121.06543	2.9
121.10139	34.8
123.08070	7.8
123.11699	7.0
125.09641	7.2
127.03925	6.1
129.05429	2.0
129.07014	7.7
131.08582	27.3
133.06445	2.1
133.10127	33.6
135.08107	3.4
135.11694	20.9
137.09595	16.4
137.13220	2.1
139.67609	2.0
139.79593	2.3
141.06935	2.8
141.09123	2.3
142.07794	3.3
143.08543	6.2
145.04935	3.6
145.10123	25.5
147.11682	17.6
149.09637	19.7
149.13271	12.4
151.11235	4.5
155.08595	4.2
155.10640	2.5
157.10152	6.5
158.06845	2.1
159.11710	20.2
161.09578	2.9
161.13264	14.1
163.11172	7.8
163.14854	4.0
169.10150	2.0
171.10295	3.2
171.11737	7.0
173.09805	2.1
173.11736	9.8
173.13263	9.1
175.14743	3.6
177.12788	3.9
179.14304	4.6
183.11728	4.8
185.13318	4.2
187.14861	4.6
191.14447	2.3
197.13164	3.1
201.16472	2.3
229.14368	9.4
239.18065	3.5
241.19339	2.6
243.21097	4.2
247.20493	2.8
257.19089	10.4
259.20468	4.4
261.22092	12.5
273.18582	3.5
275.20053	43.5
277.21695	3.0
291.19482	5.2
293.21149	7.6
317.24670	3.1
333.24216	3.2
335.25806	98.4
336.25974	5.4
347.22186	3.7
349.23755	57.6
351.25574	3.4
365.23270	5.5
373.18781	2.2
392.74106	2.5
431.31436	9.5
489.35745	45.0
503.37085	4.3
513.39105	12.0
515.37360	10.0
529.38568	5.8
535.40753	2.5
609.45148	83.4
610.45093	5.1
625.44562	3.5
627.46375	23.3
641.07428	2.5
844.19098	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29050	1.2
71.01353	0.6
71.04993	0.7
76.72404	0.6
79.05503	1.7
81.03415	4.2
81.07076	2.9
83.04987	1.1
85.02913	2.6
85.06552	1.4
91.05484	5.2
93.07053	3.4
93.39749	0.6
94.06556	3.7
95.04977	3.4
95.08607	10.0
97.02878	3.3
99.04483	0.8
103.05467	0.6
105.07008	3.5
106.06548	0.9
107.04973	0.9
107.08592	1.6
108.08108	4.0
109.02906	2.8
109.06498	1.3
109.10156	0.9
111.08071	0.7
117.03375	0.7
119.04934	1.6
119.08572	3.9
120.08111	2.0
121.06516	1.2
121.10158	2.2
122.06036	12.6
123.04440	0.9
123.08057	4.0
124.07582	0.9
127.03915	2.6
128.06276	0.6
129.06981	0.7
131.04895	0.8
131.33810	0.6
133.06569	1.4
133.10135	2.2
134.06026	2.4
135.08080	1.1
135.11714	1.2
136.07564	6.8
137.05986	1.9
137.09682	0.6
140.07054	3.4
143.05637	5.4
145.02840	1.1
146.06055	2.8
146.09727	0.7
147.04402	1.9
147.08054	0.7
147.11705	2.3
148.07576	5.5
149.09618	1.4
150.09186	1.0
151.07565	1.7
152.07104	1.8
153.05540	0.6
154.08614	0.7
156.09319	0.7
159.11734	0.6
160.07559	1.5
161.13283	1.9
162.09158	0.7
164.07077	1.7
166.08693	2.0
167.07051	6.1
171.11646	1.0
172.03969	0.7
172.07605	1.4
174.05484	2.8
174.09128	1.2
174.10460	1.7
175.04012	3.1
176.07123	0.9
177.05457	3.8
178.08720	1.0
181.05057	0.8
188.07141	0.9
189.12733	4.1
190.04951	0.8
193.08705	0.8
194.09706	0.7
204.06613	2.0
206.08229	1.3
207.06526	3.7
208.09763	1.1
209.08180	0.8
209.10736	1.1
210.11414	1.1
211.08690	1.2
211.12325	1.7
213.10255	2.8
213.72752	0.6
216.10353	0.6
221.10826	2.1
222.11511	1.6
223.08591	4.4
223.12221	3.4
224.09384	1.3
224.13139	2.2
225.10229	14.5
225.13927	2.1
226.10957	2.4
227.08249	1.6
227.11780	7.3
232.09874	1.0
235.08609	4.3
235.12270	1.3
236.09419	3.7
236.13107	0.9
237.10245	11.0
237.13898	3.6
238.10986	9.0
239.08218	0.8
239.11806	15.3
240.12486	4.7
241.13380	2.2
248.09570	2.5
248.13075	1.1
249.10201	8.9
250.11002	12.4
251.08220	5.6
251.11794	40.0
252.12560	7.9
253.09822	2.3
253.13370	13.1
254.14197	2.8
255.11371	1.6
255.15164	0.7
261.10205	1.1
262.08707	0.8
262.11166	1.5
263.08914	1.3
263.11801	22.3
264.09061	1.8
264.12622	5.6
265.09839	9.0
265.13434	45.3
266.10611	5.6
266.13971	5.1
267.11441	5.5
267.14764	4.7
268.12061	1.8
269.12936	2.4
271.06198	1.4
275.11780	2.1
276.10074	0.7
276.12787	1.2
277.09824	5.2
277.13455	3.4
278.10422	5.6
279.11279	25.9
280.12125	5.2
281.09650	1.2
281.12799	7.6
282.13443	0.9
283.10846	7.5
283.14343	1.7
284.11478	1.4
285.12408	3.5
287.05606	3.2
289.13037	1.0
291.11319	9.9
292.12125	2.7
293.12827	24.5
294.10422	0.9
294.13580	3.8
295.10904	3.7
295.14471	8.8
296.11725	3.0
297.12354	10.8
298.13138	4.3
299.13937	6.2
301.13132	0.7
305.09534	1.3
305.12787	1.4
307.10791	2.5
307.14621	0.9
309.12360	13.1
310.13037	3.8
311.13895	30.4
312.14548	3.1
313.12283	1.0
313.15558	5.4
317.12704	1.1
318.13519	1.0
319.10873	5.2
319.14206	0.9
320.11441	1.9
321.12381	13.5
322.12894	1.2
323.10376	1.4
323.13971	3.2
324.11069	1.0
325.11862	1.5
325.15646	2.3
326.12793	1.0
330.12527	0.8
333.12222	1.2
335.13907	1.4
337.11887	5.2
337.15427	1.1
338.12564	4.0
339.13474	9.9
340.14349	1.3
341.15125	2.3
342.12256	0.7
342.16183	1.4
343.13705	1.3
344.14023	2.6
344.17764	1.1
347.13953	1.1
351.13449	6.5
352.14157	1.4
353.14981	16.0
354.15869	1.7
355.12802	0.9
355.16678	2.3
356.13895	1.5
357.14798	2.4
358.15582	2.5
360.17203	1.8
365.15228	1.0
367.12491	1.0
369.14563	8.7
370.15341	1.6
371.16083	17.6
372.17343	3.4
373.17831	1.3
377.14960	1.1
379.12958	1.6
379.17062	0.7
380.13693	0.9
381.14307	5.1
382.15405	1.0
383.16217	3.3
384.16992	1.0
385.17923	1.5
386.18808	2.7
388.16556	1.0
391.16571	0.8
393.14392	1.0
395.16193	2.8
396.17053	1.1
399.15775	2.5
400.16626	3.1
401.17145	1.1
402.18533	1.0
405.14243	0.8
407.16110	1.2
409.17990	1.3
411.15503	6.9
412.16553	1.5
413.17053	10.4
414.18155	6.5
415.18506	0.8
416.20001	3.8
418.17465	1.8
419.15656	2.8
420.19208	0.9
421.17978	1.1
422.14792	0.8
423.15637	1.9
424.16772	0.9
425.17075	1.1
426.18500	0.8
430.17603	1.1
432.19385	5.8
435.15500	2.8
436.15988	0.8
437.17151	6.2
438.17627	0.9
439.04489	0.7
439.19250	1.6
440.15857	1.4
441.16534	5.6
442.17566	5.1
443.18225	2.9
444.19412	1.4
447.15643	2.1
453.16638	3.8
454.17325	1.9
455.18057	11.2
456.19073	1.1
457.19547	0.9
458.16962	1.0
460.18433	3.2
462.20300	1.8
463.14929	3.2
464.16046	1.0
465.16528	7.9
466.17383	0.7
467.18082	0.8
469.15958	1.3
471.17654	6.8
473.19269	8.0
474.20187	9.1
476.22202	0.7
477.17532	0.9
479.18243	1.8
480.21448	1.4
481.16077	7.6
482.16684	2.8
483.17615	12.6
484.18311	0.9
485.19543	0.8
492.21167	6.5
494.22803	2.7
495.17746	2.4
496.18536	0.8
497.19336	7.0
499.17099	4.4
500.17950	1.0
501.18616	5.5
502.19626	1.4
513.18652	12.1
514.18860	2.9
515.20288	29.7
516.21021	1.9
522.21515	0.9
531.19696	9.1
532.20392	1.9
533.21344	17.4
534.22345	15.1
540.21222	3.2
542.23077	2.1
544.21063	0.9
558.22388	5.1
560.24042	2.3
562.21918	1.5
568.20929	5.7
570.22614	0.9
572.23450	0.8
576.23090	4.8
583.24902	1.1
586.21838	16.1
587.22308	1.7
588.23322	4.3
594.24463	2.6
600.23450	31.0
601.24481	6.9
602.24872	1.9
604.22900	14.6
605.23810	0.9
606.24554	2.9
615.28528	3.0
618.24469	41.6
619.25195	14.9
620.26141	5.8
622.23926	11.3
623.25049	0.9
624.25659	3.7
636.25537	100.0
637.26025	6.1
638.27197	2.1
640.24774	0.8
643.27545	1.5
654.26550	36.9
655.27051	4.7
656.28253	1.5
673.28003	0.9
675.30261	6.9
681.29047	1.5
689.30988	1.2
691.27539	1.9
705.29279	0.8
707.30493	1.3
709.28638	14.6
721.33228	2.3
723.30237	20.1
724.30585	1.0
727.29443	5.8
737.34015	0.8
739.34595	4.2
741.31293	47.3
742.31812	2.1
743.29510	1.2
745.30750	5.9
759.32507	12.8
763.31897	1.6
777.33398	21.9
778.34363	0.9
795.35419	3.1
810.35883	7.8
828.37006	13.7
842.38574	13.8
846.38171	0.8
860.39539	8.8
983.45465	0.9
1001.37488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48130	1.6
70.06590	0.3
71.05003	0.2
77.03936	0.4
77.31985	0.2
79.05495	0.4
81.03429	0.9
81.07060	0.4
83.04962	0.2
85.02917	0.7
89.03922	0.4
91.05482	13.1
93.07055	0.6
94.06564	0.4
95.04973	0.6
95.08629	0.2
97.02908	1.2
97.06508	0.2
98.21607	0.3
99.04441	0.4
103.05477	0.7
105.03387	0.5
105.07033	0.7
107.04955	0.5
107.08571	0.2
108.08130	0.2
109.02892	1.1
109.06545	0.3
109.10169	0.4
110.50413	0.2
111.04478	0.3
112.51344	0.2
117.03376	0.2
117.07040	0.3
118.04206	0.2
119.04945	24.4
119.08586	0.3
121.06528	0.3
121.10132	0.2
122.06060	0.9
123.36968	0.2
127.03920	5.2
129.03423	0.3
131.04944	0.5
132.02066	0.6
133.02856	0.2
133.06544	0.6
133.10144	0.2
135.04436	0.5
136.05202	0.4
136.07578	0.5
137.05965	1.0
139.03915	0.2
143.05643	3.7
145.02846	1.1
145.06450	0.4
147.04410	23.8
149.01279	0.2
149.02406	0.5
149.05959	0.4
151.03955	0.3
153.05553	0.3
157.03961	2.3
157.06541	0.2
159.08069	0.4
161.06006	0.8
162.03062	0.2
162.09099	0.3
163.03853	0.4
164.04709	0.8
164.07077	0.7
166.08611	0.2
167.07045	5.9
168.07399	0.7
173.06042	0.3
175.03908	49.2
176.04326	0.5
177.05498	1.7
179.03406	0.3
179.07068	1.4
181.04935	0.7
181.08607	0.2
189.05457	0.2
191.06981	0.3
192.04169	0.5
193.08614	0.6
201.05475	0.3
203.06972	0.2
207.06526	100.0
208.06792	0.5
208.09602	0.4
209.08176	0.2
217.08617	0.3
219.06502	0.8
221.07893	0.3
223.08673	0.4
225.07713	1.0
225.10126	1.1
227.11803	0.3
231.06592	0.3
233.08066	0.3
235.06047	0.5
235.08635	0.2
237.10126	0.6
237.13879	0.3
239.11865	0.4
243.11462	0.3
245.08025	0.6
249.10257	0.6
250.10979	1.0
251.07983	0.5
251.11830	2.4
252.12436	0.4
253.13290	0.3
261.07568	0.7
263.09067	0.6
263.11838	1.6
264.12537	0.6
265.09714	0.6
265.13361	2.6
266.10327	0.3
267.11447	0.3
267.14890	0.3
271.06036	0.4
273.07590	0.3
277.09830	0.2
278.10327	0.4
279.11264	1.0
281.12686	0.4
283.10648	0.5
285.12216	0.4
287.05426	0.7
291.08585	1.7
291.11267	0.3
293.12869	1.1
294.13434	0.3
295.10657	0.4
295.14499	0.3
296.11475	0.6
297.12338	0.4
303.08603	0.5
307.10620	0.2
309.12350	2.5
310.13153	0.4
311.10580	0.4
311.13867	3.3
315.08524	0.3
319.10922	0.2
321.12552	0.2
333.09735	0.4
337.11844	1.8
338.12573	0.9
339.13480	2.0
341.14697	0.2
351.10733	16.1
353.14706	0.3
357.14423	0.4
369.11499	19.5
370.15402	0.3
370.82004	0.2
371.16022	5.5
372.16907	0.2
404.19180	0.3
414.18216	0.3
416.19754	1.1
430.17224	0.3
432.19302	1.1
442.17218	0.3
455.18359	0.3
460.18677	4.5
478.19772	0.2
480.21262	2.3
481.15594	0.2
483.17517	0.3
492.21304	6.2
513.18750	0.4
515.20538	1.1
583.25806	0.4
601.17133	0.4
601.26544	5.4
604.22504	0.9
613.22552	0.3
616.23547	0.2
633.28735	0.3
636.25690	2.9
637.25049	0.2
755.28546	0.3
759.28253	0.2
769.93365	0.2
791.30627	0.4
969.43359	0.3
1001.37970	0.3
END